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 1ipk_1_C DATA FIRST_RESID 3 DATA SEQUENCE VREDENNPFY FRSSNSFQTL FENQNGRIRL LQRFNKRSPQ LENLRDYRIV DATA SEQUENCE QFQSKPNTIL LPHHADADFL LFVLSGRAIL TLVNNDDRDS YNLHPGDAQR DATA SEQUENCE IPAGTTYYLV NPHDHQNLKI IKLAIPVNKP GRYDDFFLSS TQAQQSYLQG DATA SEQUENCE FSHNILETSF HSEFEEINRV LFGEEEEQRQ QEGVIVELSK EQIRQLSRRA DATA SEQUENCE KSSSRKTISS EDEPFNLRSR NPIYSNNFGK FFEITPEKNP QLRDLDIFLS DATA SEQUENCE SVDINEGALL LPHFNSKAIV ILVINEGDAN IELVGIKXXX XXXXXXXXPL DATA SEQUENCE EVQRYRAELS EDDVFVIPAA YPFVVNATSN LNFLAFGINA ENNQRNFLAG DATA SEQUENCE EKDNVVRQIE RQVQELAFPG SAQDVERLLK KQRESYFVDA 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 3 V HA 0.000 nan 4.120 nan 0.000 0.244 3 V C 0.000 176.062 176.094 -0.054 0.000 1.182 3 V CA 0.000 62.278 62.300 -0.036 0.000 1.235 3 V CB 0.000 31.808 31.823 -0.025 0.000 1.184 4 R N 1.535 122.010 120.500 -0.042 0.000 2.553 4 R HA 0.727 5.067 4.340 0.001 0.000 0.263 4 R C -0.999 175.282 176.300 -0.032 0.000 1.066 4 R CA -0.854 55.217 56.100 -0.048 0.000 1.135 4 R CB 0.961 31.249 30.300 -0.020 0.000 1.148 4 R HN 0.708 nan 8.270 nan 0.000 0.558 5 E N 0.961 121.152 120.200 -0.015 0.000 2.199 5 E HA 0.132 4.482 4.350 0.001 0.000 0.265 5 E C -0.845 175.808 176.600 0.088 0.000 0.882 5 E CA -0.410 56.014 56.400 0.038 0.000 0.759 5 E CB 1.870 31.605 29.700 0.058 0.000 1.148 5 E HN 0.750 nan 8.360 nan 0.000 0.412 6 D N 1.189 121.625 120.400 0.059 0.000 2.480 6 D HA -0.035 4.605 4.640 0.001 0.000 0.243 6 D C 0.957 177.277 176.300 0.034 0.000 1.120 6 D CA -0.090 53.929 54.000 0.032 0.000 0.835 6 D CB 0.455 41.249 40.800 -0.011 0.000 1.204 6 D HN 0.378 nan 8.370 nan 0.000 0.513 7 E N -0.432 119.804 120.200 0.060 0.000 2.536 7 E HA 0.161 4.511 4.350 0.001 0.000 0.220 7 E C 0.467 177.109 176.600 0.070 0.000 0.876 7 E CA -0.055 56.392 56.400 0.077 0.000 1.190 7 E CB 0.334 30.066 29.700 0.054 0.000 1.191 7 E HN 0.145 nan 8.360 nan 0.000 0.557 8 N N 1.056 119.796 118.700 0.066 0.000 2.251 8 N HA 0.048 4.789 4.740 0.001 0.000 0.217 8 N C -0.311 175.256 175.510 0.095 0.000 1.124 8 N CA -0.036 53.047 53.050 0.054 0.000 0.843 8 N CB 0.148 38.660 38.487 0.042 0.000 1.024 8 N HN 0.049 nan 8.380 nan 0.000 0.501 9 N N 1.744 120.526 118.700 0.137 0.000 2.767 9 N HA 0.152 4.893 4.740 0.001 0.000 0.238 9 N C -1.620 173.922 175.510 0.053 0.000 1.083 9 N CA -1.942 51.242 53.050 0.224 0.000 0.964 9 N CB 1.011 39.694 38.487 0.327 0.000 1.252 9 N HN 0.076 nan 8.380 nan 0.000 0.512 10 P HA -0.151 nan 4.420 nan 0.000 0.221 10 P C 0.624 177.631 177.300 -0.488 0.000 1.145 10 P CA 1.015 63.879 63.100 -0.393 0.000 0.795 10 P CB 0.036 31.467 31.700 -0.447 0.000 0.775 11 F N -1.371 118.470 119.950 -0.182 0.000 2.293 11 F HA -0.013 4.515 4.527 0.001 0.000 0.300 11 F C 1.564 177.233 175.800 -0.219 0.000 1.086 11 F CA 0.140 57.958 58.000 -0.303 0.000 1.375 11 F CB -1.470 37.162 39.000 -0.613 0.000 1.045 11 F HN -0.089 nan 8.300 nan 0.000 0.516 12 Y N -0.029 120.307 120.300 0.060 0.000 2.336 12 Y HA 0.366 4.916 4.550 0.000 0.000 0.335 12 Y C -1.066 174.795 175.900 -0.064 0.000 1.046 12 Y CA -1.089 57.195 58.100 0.306 0.000 1.198 12 Y CB 0.187 38.896 38.460 0.414 0.000 1.182 12 Y HN -0.127 nan 8.280 nan 0.000 0.502 13 F N 6.761 126.486 119.950 -0.375 0.000 2.363 13 F HA 0.418 4.946 4.527 0.001 0.000 0.366 13 F C 0.332 175.848 175.800 -0.473 0.000 1.083 13 F CA -0.772 57.035 58.000 -0.322 0.000 1.176 13 F CB 0.546 39.498 39.000 -0.081 0.000 1.432 13 F HN 0.436 nan 8.300 nan 0.000 0.482 14 R N 1.102 121.253 120.500 -0.582 0.000 2.537 14 R HA -0.037 4.303 4.340 0.001 0.000 0.281 14 R C 1.408 177.721 176.300 0.021 0.000 0.988 14 R CA 0.628 56.561 56.100 -0.278 0.000 1.077 14 R CB 0.767 31.051 30.300 -0.026 0.000 0.932 14 R HN 0.780 nan 8.270 nan 0.000 0.409 15 S N 1.547 117.260 115.700 0.023 0.000 2.355 15 S HA -0.183 4.287 4.470 0.001 0.000 0.222 15 S C 1.813 176.420 174.600 0.011 0.000 1.031 15 S CA 1.313 59.482 58.200 -0.052 0.000 0.993 15 S CB -0.290 62.799 63.200 -0.185 0.000 0.859 15 S HN 0.732 nan 8.310 nan 0.000 0.453 16 S N 3.957 119.674 115.700 0.028 0.000 2.400 16 S HA -0.242 4.228 4.470 0.001 0.000 0.234 16 S C 1.515 176.160 174.600 0.075 0.000 1.049 16 S CA 1.781 60.008 58.200 0.044 0.000 1.039 16 S CB -0.752 62.483 63.200 0.057 0.000 0.856 16 S HN 0.937 nan 8.310 nan 0.000 0.465 17 N N -0.485 118.274 118.700 0.099 0.000 2.218 17 N HA 0.077 4.818 4.740 0.001 0.000 0.224 17 N C 0.333 175.923 175.510 0.134 0.000 1.248 17 N CA 0.428 53.539 53.050 0.102 0.000 0.875 17 N CB -0.320 38.208 38.487 0.068 0.000 1.165 17 N HN 0.232 nan 8.380 nan 0.000 0.485 18 S N -0.168 115.642 115.700 0.183 0.000 2.859 18 S HA 0.299 4.769 4.470 0.001 0.000 0.245 18 S C -0.818 173.905 174.600 0.204 0.000 1.008 18 S CA -0.338 57.981 58.200 0.199 0.000 1.089 18 S CB -0.896 62.475 63.200 0.286 0.000 0.798 18 S HN 0.226 nan 8.310 nan 0.000 0.477 19 F N 1.611 121.573 119.950 0.020 0.000 2.556 19 F HA 0.463 4.990 4.527 0.000 0.000 0.314 19 F C -0.190 175.617 175.800 0.012 0.000 1.106 19 F CA -0.907 57.101 58.000 0.013 0.000 0.911 19 F CB 1.980 40.995 39.000 0.024 0.000 1.190 19 F HN 0.020 nan 8.300 nan 0.000 0.448 20 Q N 2.408 122.232 119.800 0.040 0.000 2.331 20 Q HA 0.469 4.809 4.340 0.001 0.000 0.267 20 Q C -1.184 174.865 176.000 0.081 0.000 1.006 20 Q CA -0.596 55.234 55.803 0.046 0.000 0.818 20 Q CB 1.762 30.490 28.738 -0.018 0.000 1.276 20 Q HN 0.659 nan 8.270 nan 0.000 0.450 21 T N 4.857 119.463 114.554 0.087 0.000 2.851 21 T HA 0.195 4.546 4.350 0.001 0.000 0.298 21 T C 0.907 175.655 174.700 0.080 0.000 0.977 21 T CA -0.082 62.074 62.100 0.093 0.000 1.126 21 T CB 0.613 69.514 68.868 0.055 0.000 0.916 21 T HN 0.650 nan 8.240 nan 0.000 0.529 22 L N 2.487 123.784 121.223 0.123 0.000 2.253 22 L HA 0.455 4.795 4.340 0.001 0.000 0.205 22 L C 0.132 177.133 176.870 0.220 0.000 1.078 22 L CA 0.499 55.422 54.840 0.138 0.000 0.805 22 L CB 0.316 42.471 42.059 0.160 0.000 0.963 22 L HN 0.608 nan 8.230 nan 0.000 0.459 23 F N -0.523 119.456 119.950 0.049 0.000 2.703 23 F HA 0.476 5.003 4.527 0.001 0.000 0.308 23 F C -1.403 174.413 175.800 0.027 0.000 1.126 23 F CA -0.667 57.347 58.000 0.024 0.000 0.959 23 F CB 1.382 40.392 39.000 0.017 0.000 1.297 23 F HN -0.170 nan 8.300 nan 0.000 0.441 24 E N 4.137 123.645 120.200 -1.153 0.000 2.481 24 E HA 0.363 4.714 4.350 0.001 0.000 0.301 24 E C -2.256 173.853 176.600 -0.818 0.000 0.948 24 E CA -0.636 55.302 56.400 -0.770 0.000 0.804 24 E CB 1.406 30.922 29.700 -0.307 0.000 1.265 24 E HN 0.827 nan 8.360 nan 0.000 0.406 25 N N 2.245 120.613 118.700 -0.553 0.000 2.825 25 N HA 0.097 4.837 4.740 0.001 0.000 0.253 25 N C 0.345 175.777 175.510 -0.130 0.000 1.426 25 N CA -0.402 52.470 53.050 -0.297 0.000 0.851 25 N CB 0.747 39.099 38.487 -0.225 0.000 1.470 25 N HN 0.425 nan 8.380 nan 0.000 0.517 26 Q N 0.635 120.390 119.800 -0.076 0.000 2.188 26 Q HA -0.313 4.027 4.340 0.001 0.000 0.217 26 Q C 0.829 176.814 176.000 -0.026 0.000 1.018 26 Q CA 3.076 58.853 55.803 -0.043 0.000 0.910 26 Q CB -0.987 27.737 28.738 -0.024 0.000 0.979 26 Q HN 0.795 nan 8.270 nan 0.000 0.413 27 N N -0.259 118.443 118.700 0.004 0.000 2.216 27 N HA 0.113 4.853 4.740 0.001 0.000 0.183 27 N C 0.609 176.121 175.510 0.003 0.000 1.017 27 N CA 1.164 54.226 53.050 0.021 0.000 0.861 27 N CB 0.080 38.605 38.487 0.063 0.000 0.986 27 N HN 0.362 nan 8.380 nan 0.000 0.428 28 G N -1.073 107.738 108.800 0.019 0.000 2.663 28 G HA2 0.659 4.619 3.960 0.001 0.000 0.299 28 G HA3 0.659 4.619 3.960 0.001 0.000 0.299 28 G C -1.622 173.264 174.900 -0.024 0.000 1.372 28 G CA -0.752 44.325 45.100 -0.037 0.000 0.781 28 G HN 0.004 nan 8.290 nan 0.000 0.491 29 R N -0.840 119.627 120.500 -0.055 0.000 2.651 29 R HA 0.673 5.014 4.340 0.001 0.000 0.278 29 R C -1.493 174.887 176.300 0.133 0.000 1.010 29 R CA -0.724 55.387 56.100 0.017 0.000 0.896 29 R CB 1.997 32.280 30.300 -0.029 0.000 1.211 29 R HN 0.411 nan 8.270 nan 0.000 0.456 30 I N 4.294 125.010 120.570 0.244 0.000 2.497 30 I HA 0.395 4.565 4.170 0.001 0.000 0.284 30 I C -0.841 175.431 176.117 0.258 0.000 1.060 30 I CA -0.762 60.735 61.300 0.328 0.000 1.071 30 I CB 1.867 40.117 38.000 0.418 0.000 1.216 30 I HN 0.464 nan 8.210 nan 0.000 0.442 31 R N 6.241 126.907 120.500 0.275 0.000 2.562 31 R HA 0.697 5.037 4.340 0.001 0.000 0.298 31 R C -1.078 175.331 176.300 0.181 0.000 0.961 31 R CA -0.755 55.509 56.100 0.273 0.000 0.881 31 R CB 2.351 32.932 30.300 0.468 0.000 1.159 31 R HN 0.481 nan 8.270 nan 0.000 0.450 32 L N 4.261 125.499 121.223 0.024 0.000 2.280 32 L HA 0.356 4.696 4.340 0.001 0.000 0.287 32 L C -0.733 175.892 176.870 -0.408 0.000 1.023 32 L CA -1.341 53.433 54.840 -0.109 0.000 0.819 32 L CB 1.385 43.417 42.059 -0.045 0.000 1.212 32 L HN 0.575 nan 8.230 nan 0.000 0.420 33 L N 4.343 125.142 121.223 -0.706 0.000 2.452 33 L HA 0.205 4.545 4.340 0.001 0.000 0.267 33 L C 0.406 176.934 176.870 -0.570 0.000 1.188 33 L CA 0.369 54.612 54.840 -0.996 0.000 0.821 33 L CB 0.573 41.972 42.059 -1.100 0.000 1.102 33 L HN 0.629 nan 8.230 nan 0.000 0.470 34 Q N 2.066 121.584 119.800 -0.470 0.000 2.523 34 Q HA 0.004 4.345 4.340 0.001 0.000 0.283 34 Q C -0.374 175.357 176.000 -0.448 0.000 1.140 34 Q CA 0.516 56.134 55.803 -0.309 0.000 0.981 34 Q CB 0.373 29.052 28.738 -0.098 0.000 1.310 34 Q HN 0.605 nan 8.270 nan 0.000 0.483 35 R N 1.206 121.561 120.500 -0.241 0.000 2.340 35 R HA 0.063 4.403 4.340 0.001 0.000 0.300 35 R C 0.645 176.857 176.300 -0.147 0.000 1.069 35 R CA -0.200 55.789 56.100 -0.185 0.000 0.984 35 R CB 0.426 30.701 30.300 -0.042 0.000 1.003 35 R HN 0.574 nan 8.270 nan 0.000 0.459 36 F N 1.429 121.342 119.950 -0.062 0.000 2.171 36 F HA -0.215 4.312 4.527 0.001 0.000 0.300 36 F C 2.021 177.883 175.800 0.105 0.000 1.090 36 F CA 1.725 59.730 58.000 0.009 0.000 1.293 36 F CB -0.296 38.660 39.000 -0.074 0.000 1.013 36 F HN 0.675 nan 8.300 nan 0.000 0.486 37 N N -0.265 118.577 118.700 0.236 0.000 2.457 37 N HA -0.105 4.635 4.740 0.001 0.000 0.180 37 N C 1.770 177.337 175.510 0.095 0.000 1.050 37 N CA 0.329 53.464 53.050 0.141 0.000 0.906 37 N CB -0.176 38.372 38.487 0.102 0.000 0.968 37 N HN 0.173 nan 8.380 nan 0.000 0.445 38 K N 1.293 121.744 120.400 0.086 0.000 2.062 38 K HA -0.007 4.314 4.320 0.001 0.000 0.205 38 K C 2.079 178.711 176.600 0.053 0.000 1.051 38 K CA 0.534 56.851 56.287 0.050 0.000 0.941 38 K CB -0.077 32.440 32.500 0.027 0.000 0.719 38 K HN 0.193 nan 8.250 nan 0.000 0.440 39 R N 0.856 121.413 120.500 0.096 0.000 2.115 39 R HA -0.062 4.279 4.340 0.001 0.000 0.230 39 R C -0.042 176.258 176.300 0.001 0.000 1.111 39 R CA 1.144 57.276 56.100 0.054 0.000 0.976 39 R CB 0.209 30.573 30.300 0.107 0.000 0.870 39 R HN 0.183 nan 8.270 nan 0.000 0.445 40 S N -1.787 113.934 115.700 0.036 0.000 2.582 40 S HA 0.234 4.704 4.470 0.001 0.000 0.287 40 S C -2.457 172.152 174.600 0.016 0.000 1.146 40 S CA -1.233 56.960 58.200 -0.012 0.000 0.941 40 S CB 2.146 65.286 63.200 -0.100 0.000 1.115 40 S HN -0.151 nan 8.310 nan 0.000 0.458 41 P HA -0.177 nan 4.420 nan 0.000 0.218 41 P C 1.619 178.932 177.300 0.022 0.000 1.146 41 P CA 1.143 64.255 63.100 0.021 0.000 0.813 41 P CB 0.055 31.764 31.700 0.016 0.000 0.778 42 Q N -0.545 119.254 119.800 -0.002 0.000 2.182 42 Q HA -0.175 4.165 4.340 0.001 0.000 0.213 42 Q C 0.861 176.883 176.000 0.037 0.000 1.000 42 Q CA 1.328 57.133 55.803 0.002 0.000 0.889 42 Q CB -0.606 28.067 28.738 -0.107 0.000 0.932 42 Q HN 0.398 nan 8.270 nan 0.000 0.415 43 L N -0.313 120.940 121.223 0.050 0.000 2.709 43 L HA 0.349 4.690 4.340 0.001 0.000 0.236 43 L C 0.869 177.773 176.870 0.056 0.000 1.266 43 L CA -0.172 54.698 54.840 0.050 0.000 0.987 43 L CB 0.763 42.869 42.059 0.078 0.000 1.306 43 L HN -0.134 nan 8.230 nan 0.000 0.467 44 E N 0.497 120.721 120.200 0.040 0.000 2.489 44 E HA 0.003 4.353 4.350 0.001 0.000 0.193 44 E C 0.628 177.249 176.600 0.035 0.000 1.057 44 E CA 0.070 56.496 56.400 0.044 0.000 0.866 44 E CB 0.458 30.179 29.700 0.034 0.000 0.916 44 E HN 0.603 nan 8.360 nan 0.000 0.500 45 N N -0.007 118.704 118.700 0.018 0.000 2.383 45 N HA 0.086 4.827 4.740 0.001 0.000 0.192 45 N C 0.647 176.183 175.510 0.044 0.000 1.141 45 N CA 0.248 53.309 53.050 0.019 0.000 0.851 45 N CB 0.421 38.904 38.487 -0.005 0.000 0.976 45 N HN 0.177 nan 8.380 nan 0.000 0.465 46 L N 0.045 121.292 121.223 0.041 0.000 2.906 46 L HA 0.226 4.566 4.340 0.001 0.000 0.255 46 L C 1.902 178.900 176.870 0.213 0.000 1.166 46 L CA -0.101 54.786 54.840 0.079 0.000 0.977 46 L CB 0.275 42.162 42.059 -0.288 0.000 1.313 46 L HN 0.128 nan 8.230 nan 0.000 0.549 47 R N -0.612 119.970 120.500 0.136 0.000 2.127 47 R HA -0.181 4.159 4.340 0.001 0.000 0.238 47 R C 0.550 176.883 176.300 0.055 0.000 1.134 47 R CA 1.704 57.871 56.100 0.112 0.000 0.975 47 R CB -0.518 29.815 30.300 0.055 0.000 0.865 47 R HN 0.176 nan 8.270 nan 0.000 0.447 48 D N -0.055 120.312 120.400 -0.055 0.000 2.392 48 D HA -0.010 4.631 4.640 0.001 0.000 0.228 48 D C -0.349 175.647 176.300 -0.507 0.000 1.003 48 D CA 0.877 54.684 54.000 -0.321 0.000 0.917 48 D CB -0.087 40.398 40.800 -0.524 0.000 0.890 48 D HN 0.301 nan 8.370 nan 0.000 0.532 49 Y N -0.588 119.727 120.300 0.024 0.000 2.562 49 Y HA 0.589 5.140 4.550 0.001 0.000 0.343 49 Y C 0.722 176.726 175.900 0.173 0.000 1.025 49 Y CA -1.138 56.991 58.100 0.048 0.000 1.082 49 Y CB 1.623 40.063 38.460 -0.033 0.000 1.264 49 Y HN -0.435 nan 8.280 nan 0.000 0.478 50 R N 1.415 122.104 120.500 0.316 0.000 2.707 50 R HA 0.535 4.875 4.340 0.001 0.000 0.272 50 R C -1.765 174.632 176.300 0.162 0.000 1.011 50 R CA -0.805 55.412 56.100 0.194 0.000 0.893 50 R CB 2.471 32.878 30.300 0.179 0.000 1.233 50 R HN 0.729 nan 8.270 nan 0.000 0.464 51 I N 1.921 122.517 120.570 0.043 0.000 2.433 51 I HA 0.425 4.595 4.170 0.001 0.000 0.292 51 I C -0.537 175.604 176.117 0.040 0.000 1.001 51 I CA -1.029 60.312 61.300 0.070 0.000 1.119 51 I CB 2.178 40.235 38.000 0.095 0.000 1.289 51 I HN 0.146 nan 8.210 nan 0.000 0.438 52 V N 6.277 126.278 119.914 0.146 0.000 2.604 52 V HA 0.416 4.536 4.120 0.001 0.000 0.305 52 V C -0.448 175.799 176.094 0.256 0.000 1.043 52 V CA -0.680 61.727 62.300 0.178 0.000 0.888 52 V CB 1.915 33.855 31.823 0.195 0.000 0.995 52 V HN 0.672 nan 8.190 nan 0.000 0.429 53 Q N 2.484 122.486 119.800 0.336 0.000 2.309 53 Q HA 0.684 5.025 4.340 0.001 0.000 0.264 53 Q C -1.839 174.379 176.000 0.363 0.000 1.008 53 Q CA -0.609 55.412 55.803 0.364 0.000 0.853 53 Q CB 2.698 31.698 28.738 0.437 0.000 1.314 53 Q HN 0.701 nan 8.270 nan 0.000 0.448 54 F N 1.902 121.943 119.950 0.150 0.000 2.574 54 F HA 0.405 4.933 4.527 0.001 0.000 0.313 54 F C -1.600 174.264 175.800 0.105 0.000 1.130 54 F CA -0.277 57.800 58.000 0.128 0.000 0.936 54 F CB 1.704 40.769 39.000 0.109 0.000 1.219 54 F HN 0.462 nan 8.300 nan 0.000 0.445 55 Q N 3.586 122.938 119.800 -0.747 0.000 2.359 55 Q HA 0.677 5.017 4.340 0.001 0.000 0.274 55 Q C -1.452 174.039 176.000 -0.848 0.000 1.074 55 Q CA -1.220 54.220 55.803 -0.605 0.000 0.810 55 Q CB 2.531 31.128 28.738 -0.235 0.000 1.342 55 Q HN 0.709 nan 8.270 nan 0.000 0.427 56 S N 0.581 115.964 115.700 -0.528 0.000 2.541 56 S HA 0.532 5.003 4.470 0.001 0.000 0.280 56 S C -0.717 173.825 174.600 -0.096 0.000 1.112 56 S CA -1.079 56.947 58.200 -0.291 0.000 0.925 56 S CB 1.880 64.998 63.200 -0.137 0.000 1.067 56 S HN 0.434 nan 8.310 nan 0.000 0.479 57 K N 1.530 121.903 120.400 -0.046 0.000 2.187 57 K HA 0.315 4.635 4.320 0.001 0.000 0.247 57 K C -2.375 174.235 176.600 0.018 0.000 1.019 57 K CA -1.723 54.558 56.287 -0.011 0.000 0.893 57 K CB 0.110 32.607 32.500 -0.005 0.000 1.025 57 K HN 0.494 nan 8.250 nan 0.000 0.500 58 P HA -0.008 nan 4.420 nan 0.000 0.268 58 P C -0.938 176.373 177.300 0.018 0.000 1.205 58 P CA 0.120 63.239 63.100 0.032 0.000 0.771 58 P CB 0.203 31.910 31.700 0.011 0.000 0.858 59 N N -1.334 117.381 118.700 0.026 0.000 2.746 59 N HA -0.128 4.613 4.740 0.001 0.000 0.250 59 N C -0.139 175.389 175.510 0.030 0.000 1.055 59 N CA 1.532 54.592 53.050 0.018 0.000 0.699 59 N CB -1.966 36.514 38.487 -0.010 0.000 0.919 59 N HN 0.710 nan 8.380 nan 0.000 0.548 60 T N -2.837 111.751 114.554 0.055 0.000 2.907 60 T HA 0.816 5.166 4.350 0.001 0.000 0.290 60 T C -0.160 174.596 174.700 0.093 0.000 1.066 60 T CA -0.898 61.243 62.100 0.068 0.000 1.012 60 T CB 2.768 71.685 68.868 0.081 0.000 1.184 60 T HN 0.186 nan 8.240 nan 0.000 0.522 61 I N 1.170 121.796 120.570 0.092 0.000 2.607 61 I HA 0.433 4.603 4.170 0.001 0.000 0.290 61 I C -1.360 174.820 176.117 0.105 0.000 1.129 61 I CA -1.397 59.959 61.300 0.095 0.000 1.042 61 I CB 1.968 39.985 38.000 0.028 0.000 1.242 61 I HN 0.712 nan 8.210 nan 0.000 0.421 62 L N 7.597 128.899 121.223 0.132 0.000 2.281 62 L HA 0.395 4.736 4.340 0.001 0.000 0.285 62 L C -0.366 176.570 176.870 0.111 0.000 1.074 62 L CA -0.502 54.402 54.840 0.108 0.000 0.817 62 L CB 0.936 43.014 42.059 0.032 0.000 1.168 62 L HN 0.563 nan 8.230 nan 0.000 0.434 63 L N 6.209 127.493 121.223 0.102 0.000 2.473 63 L HA 0.209 4.549 4.340 0.001 0.000 0.268 63 L C -1.906 175.152 176.870 0.314 0.000 1.215 63 L CA -1.802 53.122 54.840 0.140 0.000 0.823 63 L CB 0.054 42.141 42.059 0.047 0.000 1.099 63 L HN 0.444 nan 8.230 nan 0.000 0.483 64 P HA -0.048 nan 4.420 nan 0.000 0.260 64 P C -1.051 176.452 177.300 0.339 0.000 1.172 64 P CA 0.827 64.121 63.100 0.323 0.000 0.760 64 P CB 0.113 31.990 31.700 0.295 0.000 0.773 65 H N 1.412 120.512 119.070 0.050 0.000 3.024 65 H HA 0.321 4.878 4.556 0.001 0.000 0.324 65 H C -1.659 173.760 175.328 0.151 0.000 1.347 65 H CA -0.788 55.226 56.048 -0.056 0.000 1.182 65 H CB 1.283 30.581 29.762 -0.774 0.000 1.889 65 H HN 0.592 nan 8.280 nan 0.000 0.528 66 H N 1.708 120.898 119.070 0.200 0.000 2.637 66 H HA 0.825 5.382 4.556 0.001 0.000 0.363 66 H C -1.587 173.924 175.328 0.306 0.000 1.131 66 H CA -0.581 55.567 56.048 0.167 0.000 1.183 66 H CB 2.139 31.977 29.762 0.127 0.000 1.637 66 H HN 0.803 nan 8.280 nan 0.000 0.531 67 A N 2.142 125.170 122.820 0.346 0.000 2.356 67 A HA 0.165 4.485 4.320 0.001 0.000 0.323 67 A C 0.249 177.980 177.584 0.246 0.000 1.119 67 A CA -0.618 51.633 52.037 0.356 0.000 0.790 67 A CB 1.227 20.482 19.000 0.426 0.000 1.273 67 A HN 0.840 nan 8.150 nan 0.000 0.452 68 D N 0.595 121.180 120.400 0.309 0.000 2.490 68 D HA 0.391 5.032 4.640 0.001 0.000 0.255 68 D C 0.132 176.418 176.300 -0.023 0.000 1.248 68 D CA 1.267 55.383 54.000 0.194 0.000 0.887 68 D CB -0.540 40.463 40.800 0.339 0.000 0.978 68 D HN 0.854 nan 8.370 nan 0.000 0.491 69 A N -0.070 122.592 122.820 -0.263 0.000 2.590 69 A HA 0.376 4.696 4.320 0.001 0.000 0.294 69 A C -0.957 176.127 177.584 -0.833 0.000 1.046 69 A CA -0.926 50.784 52.037 -0.546 0.000 0.684 69 A CB 0.673 19.242 19.000 -0.718 0.000 1.279 69 A HN 0.095 nan 8.150 nan 0.000 0.415 70 D N -0.365 119.657 120.400 -0.629 0.000 2.368 70 D HA 0.644 5.284 4.640 0.001 0.000 0.240 70 D C -0.716 175.174 176.300 -0.684 0.000 1.169 70 D CA 1.431 55.134 54.000 -0.494 0.000 0.906 70 D CB 0.245 40.879 40.800 -0.277 0.000 1.187 70 D HN 0.338 nan 8.370 nan 0.000 0.435 71 F N 0.334 120.176 119.950 -0.181 0.000 2.631 71 F HA 0.419 4.946 4.527 0.001 0.000 0.308 71 F C -0.919 174.815 175.800 -0.110 0.000 1.097 71 F CA -1.187 56.712 58.000 -0.168 0.000 0.952 71 F CB 1.471 40.347 39.000 -0.208 0.000 1.307 71 F HN 0.039 nan 8.300 nan 0.000 0.450 72 L N 4.891 126.217 121.223 0.171 0.000 2.514 72 L HA 0.483 4.824 4.340 0.001 0.000 0.257 72 L C -1.299 175.681 176.870 0.183 0.000 1.101 72 L CA -0.644 54.279 54.840 0.138 0.000 0.911 72 L CB 0.717 42.854 42.059 0.130 0.000 1.162 72 L HN 0.440 nan 8.230 nan 0.000 0.477 73 L N 0.921 122.213 121.223 0.115 0.000 2.395 73 L HA 0.616 4.957 4.340 0.001 0.000 0.269 73 L C -0.732 176.253 176.870 0.192 0.000 1.133 73 L CA 0.078 54.998 54.840 0.134 0.000 0.812 73 L CB 0.529 42.599 42.059 0.018 0.000 1.125 73 L HN 0.511 nan 8.230 nan 0.000 0.452 74 F N 2.862 122.854 119.950 0.070 0.000 2.646 74 F HA 0.530 5.058 4.527 0.001 0.000 0.364 74 F C -0.507 175.296 175.800 0.004 0.000 1.137 74 F CA -0.845 57.157 58.000 0.005 0.000 1.085 74 F CB 1.236 40.240 39.000 0.008 0.000 1.331 74 F HN 0.361 nan 8.300 nan 0.000 0.472 75 V N 7.911 127.640 119.914 -0.308 0.000 2.434 75 V HA -0.098 4.022 4.120 0.001 0.000 0.281 75 V C 1.115 177.029 176.094 -0.299 0.000 1.005 75 V CA 0.772 62.943 62.300 -0.216 0.000 1.089 75 V CB 0.245 31.943 31.823 -0.209 0.000 0.978 75 V HN 0.851 nan 8.190 nan 0.000 0.474 76 L N 4.018 125.206 121.223 -0.059 0.000 2.071 76 L HA 0.088 4.429 4.340 0.001 0.000 0.201 76 L C 1.015 177.861 176.870 -0.041 0.000 1.076 76 L CA 0.920 55.759 54.840 -0.001 0.000 0.755 76 L CB -0.156 41.977 42.059 0.124 0.000 0.915 76 L HN 0.772 nan 8.230 nan 0.000 0.445 77 S N -1.066 114.620 115.700 -0.023 0.000 2.541 77 S HA 0.768 5.239 4.470 0.001 0.000 0.280 77 S C -0.183 174.389 174.600 -0.048 0.000 1.112 77 S CA -0.316 57.862 58.200 -0.035 0.000 0.925 77 S CB 2.001 65.195 63.200 -0.010 0.000 1.067 77 S HN 0.542 nan 8.310 nan 0.000 0.479 78 G N 1.973 110.718 108.800 -0.091 0.000 2.756 78 G HA2 -0.016 3.944 3.960 0.001 0.000 0.678 78 G HA3 -0.016 3.944 3.960 0.001 0.000 0.678 78 G C -0.831 173.979 174.900 -0.150 0.000 1.349 78 G CA -0.621 44.386 45.100 -0.155 0.000 0.847 78 G HN 1.045 nan 8.290 nan 0.000 0.548 79 R N -0.210 120.177 120.500 -0.189 0.000 2.902 79 R HA 0.952 5.292 4.340 0.001 0.000 0.258 79 R C 0.030 176.317 176.300 -0.022 0.000 1.071 79 R CA -0.446 55.594 56.100 -0.099 0.000 1.024 79 R CB 1.748 31.995 30.300 -0.088 0.000 1.184 79 R HN 2.108 nan 8.270 nan 0.000 0.492 80 A N 0.698 123.514 122.820 -0.008 0.000 2.599 80 A HA 0.632 4.953 4.320 0.001 0.000 0.290 80 A C -1.450 176.156 177.584 0.036 0.000 1.101 80 A CA -0.881 51.183 52.037 0.045 0.000 0.674 80 A CB 1.469 20.515 19.000 0.077 0.000 1.277 80 A HN 0.619 nan 8.150 nan 0.000 0.419 81 I N 0.906 121.521 120.570 0.075 0.000 2.418 81 I HA 0.445 4.616 4.170 0.001 0.000 0.287 81 I C -0.963 175.223 176.117 0.114 0.000 1.008 81 I CA -0.487 60.863 61.300 0.082 0.000 1.104 81 I CB 1.760 39.813 38.000 0.089 0.000 1.264 81 I HN 0.586 nan 8.210 nan 0.000 0.438 82 L N 6.524 127.821 121.223 0.124 0.000 2.298 82 L HA 0.558 4.899 4.340 0.001 0.000 0.284 82 L C -0.609 176.341 176.870 0.133 0.000 1.013 82 L CA 0.268 55.197 54.840 0.148 0.000 0.824 82 L CB 1.438 43.589 42.059 0.153 0.000 1.221 82 L HN 0.486 nan 8.230 nan 0.000 0.418 83 T N 6.571 121.112 114.554 -0.023 0.000 2.770 83 T HA 0.472 4.822 4.350 0.001 0.000 0.297 83 T C -0.120 174.441 174.700 -0.232 0.000 0.997 83 T CA -0.230 61.752 62.100 -0.196 0.000 0.949 83 T CB 0.485 69.103 68.868 -0.418 0.000 0.941 83 T HN 0.429 nan 8.240 nan 0.000 0.457 84 L N 3.950 125.145 121.223 -0.047 0.000 2.276 84 L HA 0.607 4.948 4.340 0.001 0.000 0.286 84 L C 0.335 177.172 176.870 -0.055 0.000 1.061 84 L CA -0.991 53.842 54.840 -0.012 0.000 0.807 84 L CB 1.094 43.195 42.059 0.070 0.000 1.177 84 L HN 0.399 nan 8.230 nan 0.000 0.429 85 V N 2.987 122.871 119.914 -0.050 0.000 2.384 85 V HA 0.526 4.647 4.120 0.001 0.000 0.287 85 V C -0.271 175.830 176.094 0.013 0.000 1.020 85 V CA -0.427 61.863 62.300 -0.017 0.000 0.850 85 V CB 1.337 33.164 31.823 0.006 0.000 0.987 85 V HN 0.773 nan 8.190 nan 0.000 0.436 86 N N 4.085 122.791 118.700 0.011 0.000 2.604 86 N HA 0.297 5.038 4.740 0.001 0.000 0.297 86 N C 0.627 176.147 175.510 0.017 0.000 1.266 86 N CA 0.089 53.143 53.050 0.008 0.000 0.961 86 N CB 1.078 39.566 38.487 0.002 0.000 1.166 86 N HN 0.908 nan 8.380 nan 0.000 0.601 87 N N -0.273 118.432 118.700 0.009 0.000 2.331 87 N HA -0.141 4.599 4.740 0.001 0.000 0.180 87 N C 0.309 175.830 175.510 0.018 0.000 1.019 87 N CA 1.168 54.227 53.050 0.015 0.000 0.881 87 N CB -0.069 38.420 38.487 0.003 0.000 0.972 87 N HN 0.570 nan 8.380 nan 0.000 0.435 88 D N -2.089 118.318 120.400 0.012 0.000 2.563 88 D HA 0.199 4.840 4.640 0.001 0.000 0.237 88 D C -0.644 175.662 176.300 0.011 0.000 1.282 88 D CA -0.295 53.712 54.000 0.012 0.000 0.816 88 D CB 0.209 41.012 40.800 0.006 0.000 1.066 88 D HN 0.013 nan 8.370 nan 0.000 0.501 89 D N 0.260 120.667 120.400 0.012 0.000 2.879 89 D HA 0.384 5.024 4.640 0.001 0.000 0.346 89 D C -1.394 174.909 176.300 0.005 0.000 1.390 89 D CA -0.319 53.685 54.000 0.007 0.000 0.838 89 D CB 1.440 42.241 40.800 0.001 0.000 1.416 89 D HN 0.173 nan 8.370 nan 0.000 0.493 90 R N 0.321 120.815 120.500 -0.010 0.000 2.644 90 R HA 0.552 4.893 4.340 0.001 0.000 0.257 90 R C -2.128 174.131 176.300 -0.069 0.000 1.082 90 R CA -0.791 55.292 56.100 -0.028 0.000 0.927 90 R CB 1.411 31.704 30.300 -0.011 0.000 1.258 90 R HN 0.184 nan 8.270 nan 0.000 0.459 91 D N 1.875 122.208 120.400 -0.111 0.000 2.629 91 D HA 0.266 4.907 4.640 0.001 0.000 0.250 91 D C -0.953 175.110 176.300 -0.395 0.000 1.126 91 D CA -0.563 53.274 54.000 -0.272 0.000 0.852 91 D CB 2.402 43.035 40.800 -0.279 0.000 1.335 91 D HN 0.409 nan 8.370 nan 0.000 0.518 92 S N 1.597 117.042 115.700 -0.425 0.000 2.429 92 S HA 0.383 4.853 4.470 0.001 0.000 0.302 92 S C -0.869 173.458 174.600 -0.455 0.000 1.115 92 S CA -0.522 57.498 58.200 -0.299 0.000 1.095 92 S CB 0.230 63.355 63.200 -0.125 0.000 0.987 92 S HN 0.221 nan 8.310 nan 0.000 0.474 93 Y N 2.188 122.477 120.300 -0.019 0.000 2.409 93 Y HA 0.389 4.940 4.550 0.001 0.000 0.339 93 Y C 0.501 176.366 175.900 -0.058 0.000 1.033 93 Y CA -1.023 57.054 58.100 -0.039 0.000 1.094 93 Y CB 1.184 39.613 38.460 -0.051 0.000 1.210 93 Y HN 0.548 nan 8.280 nan 0.000 0.456 94 N N 2.984 121.720 118.700 0.060 0.000 2.476 94 N HA 0.543 5.284 4.740 0.001 0.000 0.257 94 N C -1.719 173.639 175.510 -0.254 0.000 0.970 94 N CA -0.310 52.703 53.050 -0.062 0.000 0.938 94 N CB 0.615 39.074 38.487 -0.047 0.000 1.144 94 N HN 0.468 nan 8.380 nan 0.000 0.500 95 L N 3.412 124.473 121.223 -0.270 0.000 2.334 95 L HA 0.576 4.917 4.340 0.001 0.000 0.273 95 L C 0.030 176.630 176.870 -0.449 0.000 1.013 95 L CA -1.004 53.586 54.840 -0.417 0.000 0.816 95 L CB 1.438 43.362 42.059 -0.224 0.000 1.278 95 L HN 0.501 nan 8.230 nan 0.000 0.431 96 H N -0.214 118.782 119.070 -0.124 0.000 2.864 96 H HA 0.446 5.002 4.556 0.001 0.000 0.354 96 H C -2.666 172.535 175.328 -0.211 0.000 1.208 96 H CA -2.733 53.229 56.048 -0.143 0.000 1.191 96 H CB 1.083 30.776 29.762 -0.116 0.000 1.889 96 H HN 0.254 nan 8.280 nan 0.000 0.574 97 P HA -0.033 nan 4.420 nan 0.000 0.260 97 P C 1.037 178.178 177.300 -0.264 0.000 1.172 97 P CA 2.062 65.053 63.100 -0.182 0.000 0.760 97 P CB 0.124 31.749 31.700 -0.124 0.000 0.773 98 G N 2.196 110.674 108.800 -0.536 0.000 2.238 98 G HA2 -0.176 3.784 3.960 0.001 0.000 0.217 98 G HA3 -0.176 3.784 3.960 0.001 0.000 0.217 98 G C 0.050 174.575 174.900 -0.625 0.000 0.996 98 G CA -0.363 44.404 45.100 -0.556 0.000 0.632 98 G HN 0.484 nan 8.290 nan 0.000 0.503 99 D N 1.254 121.332 120.400 -0.537 0.000 2.362 99 D HA 0.637 5.277 4.640 0.001 0.000 0.242 99 D C 0.483 176.445 176.300 -0.564 0.000 1.132 99 D CA 1.320 55.046 54.000 -0.455 0.000 0.907 99 D CB 1.422 42.026 40.800 -0.327 0.000 1.195 99 D HN 1.059 nan 8.370 nan 0.000 0.429 100 A N 1.597 124.056 122.820 -0.601 0.000 2.488 100 A HA 0.527 4.847 4.320 0.001 0.000 0.295 100 A C -0.928 176.329 177.584 -0.546 0.000 1.045 100 A CA -0.687 51.039 52.037 -0.518 0.000 0.703 100 A CB 1.669 20.341 19.000 -0.546 0.000 1.271 100 A HN 0.440 nan 8.150 nan 0.000 0.400 101 Q N 1.333 120.991 119.800 -0.236 0.000 2.456 101 Q HA 0.666 5.006 4.340 0.001 0.000 0.283 101 Q C -0.940 175.027 176.000 -0.053 0.000 1.084 101 Q CA -0.731 54.972 55.803 -0.167 0.000 0.801 101 Q CB 1.780 30.337 28.738 -0.302 0.000 1.434 101 Q HN 0.766 nan 8.270 nan 0.000 0.419 102 R N 3.527 124.010 120.500 -0.030 0.000 2.295 102 R HA 0.456 4.797 4.340 0.001 0.000 0.324 102 R C -1.282 174.970 176.300 -0.080 0.000 0.968 102 R CA -0.477 55.617 56.100 -0.009 0.000 0.837 102 R CB 0.577 30.898 30.300 0.035 0.000 1.133 102 R HN 0.763 nan 8.270 nan 0.000 0.450 103 I N 7.777 128.293 120.570 -0.089 0.000 2.337 103 I HA 0.284 4.454 4.170 0.001 0.000 0.285 103 I C -2.012 174.021 176.117 -0.139 0.000 1.041 103 I CA -2.403 58.799 61.300 -0.163 0.000 1.199 103 I CB 1.597 39.413 38.000 -0.306 0.000 1.370 103 I HN 0.405 nan 8.210 nan 0.000 0.470 104 P HA 0.078 nan 4.420 nan 0.000 0.270 104 P C 0.033 177.235 177.300 -0.163 0.000 1.223 104 P CA -0.268 62.753 63.100 -0.132 0.000 0.785 104 P CB 0.542 32.184 31.700 -0.096 0.000 0.923 105 A N 1.886 124.597 122.820 -0.181 0.000 2.482 105 A HA 0.339 4.660 4.320 0.001 0.000 0.249 105 A C 1.634 179.148 177.584 -0.118 0.000 1.114 105 A CA 0.594 52.523 52.037 -0.180 0.000 0.797 105 A CB -1.607 17.292 19.000 -0.168 0.000 1.067 105 A HN 0.869 nan 8.150 nan 0.000 0.514 106 G N -0.507 108.249 108.800 -0.073 0.000 2.393 106 G HA2 -0.214 3.746 3.960 0.001 0.000 0.304 106 G HA3 -0.214 3.746 3.960 0.001 0.000 0.304 106 G C 0.388 175.228 174.900 -0.100 0.000 0.977 106 G CA 1.101 46.135 45.100 -0.110 0.000 0.803 106 G HN 1.256 nan 8.290 nan 0.000 0.511 107 T N 1.236 115.769 114.554 -0.036 0.000 2.749 107 T HA 0.510 4.861 4.350 0.001 0.000 0.287 107 T C 0.535 175.286 174.700 0.085 0.000 0.970 107 T CA -0.076 62.010 62.100 -0.023 0.000 0.980 107 T CB 1.469 70.285 68.868 -0.087 0.000 0.924 107 T HN 0.205 nan 8.240 nan 0.000 0.456 108 T N 4.650 119.280 114.554 0.128 0.000 2.884 108 T HA 0.482 4.833 4.350 0.001 0.000 0.298 108 T C -0.582 174.235 174.700 0.196 0.000 0.998 108 T CA -0.288 61.937 62.100 0.208 0.000 1.124 108 T CB -0.056 68.928 68.868 0.193 0.000 0.931 108 T HN 0.670 nan 8.240 nan 0.000 0.531 109 Y N -0.007 120.197 120.300 -0.160 0.000 2.641 109 Y HA 0.601 5.152 4.550 0.001 0.000 0.333 109 Y C -1.953 173.859 175.900 -0.145 0.000 1.174 109 Y CA -2.674 55.268 58.100 -0.264 0.000 1.057 109 Y CB 0.727 39.058 38.460 -0.216 0.000 1.322 109 Y HN 0.755 nan 8.280 nan 0.000 0.457 110 Y N 1.502 121.715 120.300 -0.145 0.000 2.457 110 Y HA 0.786 5.336 4.550 0.001 0.000 0.343 110 Y C -1.833 174.011 175.900 -0.093 0.000 0.994 110 Y CA -1.491 56.495 58.100 -0.190 0.000 1.031 110 Y CB 1.523 39.957 38.460 -0.044 0.000 1.246 110 Y HN 0.714 nan 8.280 nan 0.000 0.449 111 L N 3.957 125.219 121.223 0.066 0.000 2.322 111 L HA 0.773 5.114 4.340 0.001 0.000 0.279 111 L C -0.682 176.281 176.870 0.156 0.000 1.036 111 L CA -0.966 53.929 54.840 0.091 0.000 0.807 111 L CB 1.833 43.867 42.059 -0.041 0.000 1.226 111 L HN 0.697 nan 8.230 nan 0.000 0.433 112 V N 3.113 123.122 119.914 0.158 0.000 2.823 112 V HA 0.463 4.584 4.120 0.001 0.000 0.312 112 V C -0.464 175.711 176.094 0.134 0.000 1.072 112 V CA -0.959 61.425 62.300 0.139 0.000 0.937 112 V CB 1.977 33.872 31.823 0.119 0.000 1.013 112 V HN 0.795 nan 8.190 nan 0.000 0.430 113 N N 4.149 122.923 118.700 0.124 0.000 2.558 113 N HA 0.362 5.102 4.740 0.001 0.000 0.242 113 N C -1.880 173.686 175.510 0.093 0.000 0.979 113 N CA -1.763 51.355 53.050 0.114 0.000 0.931 113 N CB 2.320 40.875 38.487 0.113 0.000 1.122 113 N HN 0.431 nan 8.380 nan 0.000 0.508 114 P HA -0.058 nan 4.420 nan 0.000 0.224 114 P C 0.025 177.382 177.300 0.094 0.000 1.157 114 P CA 0.644 63.794 63.100 0.083 0.000 0.799 114 P CB 0.193 31.945 31.700 0.086 0.000 0.809 115 H N 1.469 120.531 119.070 -0.013 0.000 3.001 115 H HA -0.004 4.552 4.556 0.001 0.000 0.334 115 H C 1.285 176.548 175.328 -0.109 0.000 1.034 115 H CA 0.949 56.969 56.048 -0.045 0.000 1.420 115 H CB 0.201 29.958 29.762 -0.009 0.000 1.405 115 H HN 0.028 nan 8.280 nan 0.000 0.593 116 D N 2.547 122.695 120.400 -0.420 0.000 2.367 116 D HA -0.026 4.615 4.640 0.001 0.000 0.207 116 D C 0.434 176.373 176.300 -0.602 0.000 1.034 116 D CA 0.680 54.363 54.000 -0.528 0.000 0.861 116 D CB 0.464 40.837 40.800 -0.710 0.000 0.943 116 D HN 0.730 nan 8.370 nan 0.000 0.515 117 H N -0.731 118.273 119.070 -0.111 0.000 3.230 117 H HA 0.273 4.830 4.556 0.001 0.000 0.259 117 H C -0.122 175.254 175.328 0.079 0.000 1.195 117 H CA -0.272 55.761 56.048 -0.024 0.000 1.112 117 H CB 1.136 30.865 29.762 -0.056 0.000 1.638 117 H HN -0.084 nan 8.280 nan 0.000 0.624 118 Q N 1.389 121.353 119.800 0.273 0.000 2.331 118 Q HA 0.305 4.645 4.340 0.001 0.000 0.272 118 Q C -1.170 174.915 176.000 0.142 0.000 1.062 118 Q CA -0.873 55.076 55.803 0.242 0.000 0.806 118 Q CB 1.711 30.648 28.738 0.333 0.000 1.312 118 Q HN 0.310 nan 8.270 nan 0.000 0.431 119 N N 2.441 121.183 118.700 0.070 0.000 2.503 119 N HA 0.223 4.963 4.740 0.001 0.000 0.267 119 N C -0.812 174.705 175.510 0.011 0.000 1.214 119 N CA -0.293 52.773 53.050 0.026 0.000 0.959 119 N CB 1.020 39.503 38.487 -0.006 0.000 1.142 119 N HN 0.418 nan 8.380 nan 0.000 0.455 120 L N 0.852 122.076 121.223 0.003 0.000 2.289 120 L HA 0.352 4.692 4.340 0.001 0.000 0.285 120 L C -0.284 176.591 176.870 0.008 0.000 1.049 120 L CA -0.134 54.722 54.840 0.026 0.000 0.804 120 L CB 0.676 42.794 42.059 0.098 0.000 1.195 120 L HN 0.448 nan 8.230 nan 0.000 0.428 121 K N 6.094 126.518 120.400 0.040 0.000 2.483 121 K HA 0.565 4.886 4.320 0.001 0.000 0.256 121 K C -1.547 175.134 176.600 0.136 0.000 0.961 121 K CA -0.363 55.959 56.287 0.059 0.000 0.873 121 K CB 0.767 33.293 32.500 0.043 0.000 1.107 121 K HN 0.727 nan 8.250 nan 0.000 0.432 122 I N 5.406 126.119 120.570 0.239 0.000 2.406 122 I HA 0.311 4.481 4.170 0.001 0.000 0.290 122 I C -0.396 175.888 176.117 0.279 0.000 0.999 122 I CA -1.199 60.259 61.300 0.263 0.000 1.124 122 I CB 1.576 39.763 38.000 0.312 0.000 1.289 122 I HN 0.565 nan 8.210 nan 0.000 0.441 123 I N 7.080 127.822 120.570 0.286 0.000 2.488 123 I HA 0.360 4.530 4.170 0.001 0.000 0.299 123 I C -0.309 176.004 176.117 0.327 0.000 0.984 123 I CA 0.060 61.554 61.300 0.324 0.000 1.250 123 I CB 0.885 39.092 38.000 0.346 0.000 1.389 123 I HN 0.478 nan 8.210 nan 0.000 0.488 124 K N 5.495 126.068 120.400 0.288 0.000 2.523 124 K HA 0.489 4.809 4.320 0.001 0.000 0.257 124 K C -1.891 174.784 176.600 0.125 0.000 0.932 124 K CA -0.851 55.546 56.287 0.183 0.000 0.812 124 K CB 2.074 34.563 32.500 -0.017 0.000 1.326 124 K HN 0.445 nan 8.250 nan 0.000 0.433 125 L N 3.067 124.285 121.223 -0.009 0.000 2.276 125 L HA 0.564 4.904 4.340 0.001 0.000 0.286 125 L C -0.883 176.036 176.870 0.080 0.000 1.024 125 L CA -0.025 54.710 54.840 -0.175 0.000 0.826 125 L CB 1.112 42.739 42.059 -0.721 0.000 1.211 125 L HN 0.691 nan 8.230 nan 0.000 0.422 126 A N 6.251 129.161 122.820 0.150 0.000 2.310 126 A HA 0.746 5.066 4.320 0.001 0.000 0.299 126 A C -0.310 177.196 177.584 -0.129 0.000 1.147 126 A CA -0.437 51.598 52.037 -0.003 0.000 0.818 126 A CB 0.354 19.358 19.000 0.006 0.000 1.096 126 A HN 0.711 nan 8.150 nan 0.000 0.495 127 I N 3.034 123.412 120.570 -0.320 0.000 2.698 127 I HA 0.213 4.384 4.170 0.001 0.000 0.276 127 I C -2.617 173.315 176.117 -0.308 0.000 1.166 127 I CA -1.738 59.384 61.300 -0.297 0.000 1.101 127 I CB 1.415 39.254 38.000 -0.268 0.000 1.305 127 I HN 0.358 nan 8.210 nan 0.000 0.526 128 P HA -0.025 nan 4.420 nan 0.000 0.264 128 P C 0.930 178.151 177.300 -0.131 0.000 1.183 128 P CA 0.205 63.231 63.100 -0.124 0.000 0.763 128 P CB 1.188 32.896 31.700 0.013 0.000 0.807 129 V N 2.675 122.525 119.914 -0.106 0.000 3.174 129 V HA -0.048 4.073 4.120 0.001 0.000 0.254 129 V C 1.452 177.510 176.094 -0.060 0.000 1.120 129 V CA 1.558 63.801 62.300 -0.095 0.000 1.114 129 V CB -0.728 31.035 31.823 -0.100 0.000 0.756 129 V HN 0.548 nan 8.190 nan 0.000 0.467 130 N N -0.028 118.654 118.700 -0.030 0.000 2.530 130 N HA 0.112 4.853 4.740 0.001 0.000 0.216 130 N C 0.055 175.555 175.510 -0.017 0.000 1.031 130 N CA -0.113 52.927 53.050 -0.018 0.000 1.063 130 N CB 0.266 38.756 38.487 0.005 0.000 1.346 130 N HN 0.278 nan 8.380 nan 0.000 0.515 131 K N 1.794 122.191 120.400 -0.004 0.000 2.118 131 K HA 0.370 4.690 4.320 0.001 0.000 0.267 131 K C -2.691 173.899 176.600 -0.016 0.000 0.991 131 K CA -1.738 54.544 56.287 -0.008 0.000 0.916 131 K CB 0.734 33.234 32.500 -0.000 0.000 1.041 131 K HN 0.040 nan 8.250 nan 0.000 0.455 132 P HA 0.108 nan 4.420 nan 0.000 0.276 132 P C 0.448 177.738 177.300 -0.017 0.000 1.235 132 P CA 0.032 63.111 63.100 -0.036 0.000 0.772 132 P CB 0.961 32.640 31.700 -0.035 0.000 0.871 133 G N 2.628 111.415 108.800 -0.022 0.000 2.175 133 G HA2 -0.275 3.685 3.960 0.001 0.000 0.265 133 G HA3 -0.275 3.685 3.960 0.001 0.000 0.265 133 G C -0.049 174.877 174.900 0.044 0.000 0.979 133 G CA -0.126 44.986 45.100 0.019 0.000 0.663 133 G HN 0.666 nan 8.290 nan 0.000 0.533 134 R N -0.768 119.759 120.500 0.046 0.000 2.533 134 R HA 0.598 4.938 4.340 0.001 0.000 0.288 134 R C -0.380 175.979 176.300 0.097 0.000 1.039 134 R CA -0.812 55.309 56.100 0.036 0.000 0.909 134 R CB 1.431 31.718 30.300 -0.021 0.000 1.195 134 R HN 0.485 nan 8.270 nan 0.000 0.438 135 Y N -1.083 119.212 120.300 -0.008 0.000 2.833 135 Y HA 0.694 5.245 4.550 0.001 0.000 0.319 135 Y C -1.060 174.853 175.900 0.023 0.000 1.254 135 Y CA -1.158 56.946 58.100 0.008 0.000 1.138 135 Y CB 1.550 40.002 38.460 -0.012 0.000 1.352 135 Y HN 0.294 nan 8.280 nan 0.000 0.546 136 D N 0.083 120.575 120.400 0.154 0.000 2.756 136 D HA 0.205 4.846 4.640 0.001 0.000 0.226 136 D C -1.811 174.533 176.300 0.073 0.000 1.186 136 D CA -0.453 53.501 54.000 -0.075 0.000 0.845 136 D CB 2.579 43.279 40.800 -0.166 0.000 1.610 136 D HN 0.581 nan 8.370 nan 0.000 0.465 137 D N 0.946 121.282 120.400 -0.108 0.000 2.233 137 D HA 0.311 4.951 4.640 0.001 0.000 0.240 137 D C -0.654 175.403 176.300 -0.405 0.000 1.074 137 D CA -0.152 53.811 54.000 -0.062 0.000 0.838 137 D CB 1.189 41.948 40.800 -0.068 0.000 1.124 137 D HN 0.120 nan 8.370 nan 0.000 0.475 138 F N 2.278 122.082 119.950 -0.243 0.000 2.388 138 F HA 0.335 4.863 4.527 0.001 0.000 0.358 138 F C 0.125 175.889 175.800 -0.059 0.000 1.122 138 F CA -0.692 57.194 58.000 -0.191 0.000 1.056 138 F CB 0.697 39.259 39.000 -0.730 0.000 1.155 138 F HN 0.169 nan 8.300 nan 0.000 0.461 139 F N 4.468 124.596 119.950 0.297 0.000 2.404 139 F HA 0.273 4.801 4.527 0.001 0.000 0.354 139 F C 1.091 176.877 175.800 -0.024 0.000 1.122 139 F CA -0.366 57.728 58.000 0.158 0.000 1.080 139 F CB 1.344 40.336 39.000 -0.014 0.000 1.131 139 F HN 0.476 nan 8.300 nan 0.000 0.471 140 L N 2.137 123.412 121.223 0.087 0.000 2.131 140 L HA -0.022 4.318 4.340 0.001 0.000 0.206 140 L C 1.350 178.201 176.870 -0.031 0.000 1.087 140 L CA 0.557 55.255 54.840 -0.237 0.000 0.767 140 L CB -0.129 41.925 42.059 -0.009 0.000 0.917 140 L HN 0.671 nan 8.230 nan 0.000 0.441 141 S N -0.880 114.884 115.700 0.107 0.000 2.579 141 S HA 0.046 4.516 4.470 0.001 0.000 0.275 141 S C 0.111 174.738 174.600 0.044 0.000 1.345 141 S CA -0.408 57.832 58.200 0.067 0.000 1.031 141 S CB 1.427 64.660 63.200 0.055 0.000 0.892 141 S HN 0.226 nan 8.310 nan 0.000 0.529 142 S N 1.764 117.487 115.700 0.039 0.000 2.566 142 S HA 0.635 5.105 4.470 0.001 0.000 0.324 142 S C -0.240 174.363 174.600 0.004 0.000 1.081 142 S CA -0.374 57.856 58.200 0.049 0.000 1.105 142 S CB 0.071 63.354 63.200 0.137 0.000 0.981 142 S HN 1.125 nan 8.310 nan 0.000 0.464 143 T N 2.004 116.539 114.554 -0.031 0.000 2.888 143 T HA 0.431 4.781 4.350 0.001 0.000 0.288 143 T C 0.836 175.521 174.700 -0.025 0.000 1.063 143 T CA -0.691 61.383 62.100 -0.043 0.000 1.010 143 T CB 1.118 69.930 68.868 -0.093 0.000 1.214 143 T HN 0.442 nan 8.240 nan 0.000 0.533 144 Q N -0.337 119.455 119.800 -0.014 0.000 2.291 144 Q HA 0.014 4.354 4.340 0.001 0.000 0.206 144 Q C 2.233 178.233 176.000 -0.001 0.000 0.976 144 Q CA 1.583 57.385 55.803 -0.001 0.000 0.875 144 Q CB -0.362 28.378 28.738 0.004 0.000 0.927 144 Q HN 0.802 nan 8.270 nan 0.000 0.450 145 A N 0.809 123.624 122.820 -0.008 0.000 1.844 145 A HA -0.090 4.231 4.320 0.001 0.000 0.212 145 A C 1.408 178.974 177.584 -0.030 0.000 1.221 145 A CA 0.690 52.729 52.037 0.004 0.000 0.607 145 A CB -0.274 18.760 19.000 0.058 0.000 0.878 145 A HN 0.389 nan 8.150 nan 0.000 0.451 146 Q N -0.873 118.872 119.800 -0.091 0.000 2.394 146 Q HA 0.552 4.893 4.340 0.001 0.000 0.166 146 Q C -0.643 175.338 176.000 -0.032 0.000 1.037 146 Q CA -0.547 55.207 55.803 -0.082 0.000 1.023 146 Q CB 0.501 29.133 28.738 -0.178 0.000 2.067 146 Q HN 0.420 nan 8.270 nan 0.000 0.502 147 Q N 0.188 119.987 119.800 -0.002 0.000 2.313 147 Q HA 0.253 4.593 4.340 0.001 0.000 0.260 147 Q C -1.581 174.445 176.000 0.042 0.000 0.972 147 Q CA -0.236 55.572 55.803 0.008 0.000 0.886 147 Q CB 2.565 31.298 28.738 -0.008 0.000 1.373 147 Q HN 0.739 nan 8.270 nan 0.000 0.416 148 S N 1.649 117.376 115.700 0.044 0.000 2.561 148 S HA -0.079 4.392 4.470 0.001 0.000 0.294 148 S C 0.815 175.464 174.600 0.082 0.000 1.294 148 S CA 0.345 58.573 58.200 0.046 0.000 1.055 148 S CB 0.185 63.483 63.200 0.163 0.000 0.819 148 S HN 0.583 nan 8.310 nan 0.000 0.503 149 Y N 3.304 123.728 120.300 0.208 0.000 2.509 149 Y HA 0.113 4.663 4.550 0.001 0.000 0.293 149 Y C 1.468 177.448 175.900 0.134 0.000 1.133 149 Y CA 0.197 58.401 58.100 0.172 0.000 1.283 149 Y CB -0.536 38.106 38.460 0.304 0.000 1.001 149 Y HN 0.489 nan 8.280 nan 0.000 0.555 150 L N 0.815 122.287 121.223 0.414 0.000 2.450 150 L HA -0.131 4.209 4.340 0.001 0.000 0.224 150 L C 2.196 179.302 176.870 0.393 0.000 1.149 150 L CA 1.316 56.506 54.840 0.584 0.000 0.816 150 L CB -1.232 41.241 42.059 0.689 0.000 0.932 150 L HN 0.433 nan 8.230 nan 0.000 0.449 151 Q N -1.529 118.294 119.800 0.038 0.000 2.403 151 Q HA 0.051 4.391 4.340 0.001 0.000 0.203 151 Q C 1.850 177.802 176.000 -0.081 0.000 0.932 151 Q CA 0.483 56.154 55.803 -0.220 0.000 0.945 151 Q CB 0.127 28.604 28.738 -0.435 0.000 1.045 151 Q HN 0.474 nan 8.270 nan 0.000 0.511 152 G N -0.636 108.104 108.800 -0.100 0.000 2.777 152 G HA2 0.024 3.984 3.960 0.001 0.000 0.211 152 G HA3 0.024 3.984 3.960 0.001 0.000 0.211 152 G C 0.131 174.904 174.900 -0.212 0.000 1.149 152 G CA -0.245 44.740 45.100 -0.192 0.000 0.785 152 G HN 0.149 nan 8.290 nan 0.000 0.536 153 F N 1.550 121.558 119.950 0.097 0.000 2.375 153 F HA 0.380 4.908 4.527 0.001 0.000 0.313 153 F C 1.145 176.970 175.800 0.043 0.000 1.176 153 F CA -0.868 57.180 58.000 0.081 0.000 1.142 153 F CB 1.072 40.148 39.000 0.127 0.000 1.275 153 F HN -0.084 nan 8.300 nan 0.000 0.544 154 S N -1.098 114.741 115.700 0.231 0.000 2.584 154 S HA 0.150 4.620 4.470 0.001 0.000 0.273 154 S C 0.591 175.243 174.600 0.086 0.000 1.311 154 S CA -0.651 57.575 58.200 0.042 0.000 1.034 154 S CB 0.544 63.747 63.200 0.005 0.000 0.939 154 S HN 0.688 nan 8.310 nan 0.000 0.513 155 H N 1.820 120.779 119.070 -0.185 0.000 2.426 155 H HA -0.160 4.396 4.556 0.001 0.000 0.298 155 H C 1.678 176.958 175.328 -0.081 0.000 1.107 155 H CA 1.756 57.582 56.048 -0.370 0.000 1.298 155 H CB -0.199 29.133 29.762 -0.717 0.000 1.377 155 H HN 0.678 nan 8.280 nan 0.000 0.519 156 N N 0.201 118.952 118.700 0.084 0.000 2.188 156 N HA -0.106 4.635 4.740 0.001 0.000 0.184 156 N C 1.532 177.089 175.510 0.080 0.000 1.018 156 N CA 0.945 54.042 53.050 0.078 0.000 0.858 156 N CB 0.073 38.585 38.487 0.042 0.000 0.989 156 N HN 0.202 nan 8.380 nan 0.000 0.426 157 I N 0.378 120.992 120.570 0.072 0.000 2.277 157 I HA -0.136 4.034 4.170 0.001 0.000 0.243 157 I C 1.754 177.888 176.117 0.028 0.000 1.094 157 I CA 0.769 62.078 61.300 0.014 0.000 1.393 157 I CB -0.127 37.854 38.000 -0.031 0.000 1.078 157 I HN 0.119 nan 8.210 nan 0.000 0.417 158 L N -0.032 121.291 121.223 0.167 0.000 2.191 158 L HA -0.221 4.119 4.340 0.001 0.000 0.212 158 L C 2.362 179.447 176.870 0.359 0.000 1.103 158 L CA 1.319 56.349 54.840 0.317 0.000 0.769 158 L CB -0.543 41.888 42.059 0.620 0.000 0.908 158 L HN 0.310 nan 8.230 nan 0.000 0.438 159 E N -0.597 119.773 120.200 0.284 0.000 2.046 159 E HA -0.153 4.197 4.350 0.001 0.000 0.190 159 E C 2.112 178.830 176.600 0.196 0.000 0.982 159 E CA 1.749 58.306 56.400 0.261 0.000 0.800 159 E CB 0.010 29.835 29.700 0.210 0.000 0.756 159 E HN 0.432 nan 8.360 nan 0.000 0.449 160 T N 0.494 115.115 114.554 0.111 0.000 2.674 160 T HA -0.133 4.217 4.350 0.001 0.000 0.265 160 T C 2.146 176.840 174.700 -0.011 0.000 1.039 160 T CA 1.480 63.605 62.100 0.041 0.000 1.150 160 T CB -0.310 68.552 68.868 -0.010 0.000 0.864 160 T HN 0.049 nan 8.240 nan 0.000 0.427 161 S N 1.258 116.905 115.700 -0.087 0.000 2.368 161 S HA -0.033 4.438 4.470 0.001 0.000 0.225 161 S C 1.683 176.168 174.600 -0.191 0.000 1.030 161 S CA 1.134 59.195 58.200 -0.232 0.000 0.999 161 S CB -0.479 62.448 63.200 -0.456 0.000 0.844 161 S HN 0.369 nan 8.310 nan 0.000 0.459 162 F N 0.064 120.057 119.950 0.071 0.000 2.473 162 F HA 0.253 4.781 4.527 0.001 0.000 0.294 162 F C 1.102 176.999 175.800 0.162 0.000 1.103 162 F CA 0.353 58.408 58.000 0.091 0.000 1.442 162 F CB -0.517 38.532 39.000 0.081 0.000 1.097 162 F HN 0.335 nan 8.300 nan 0.000 0.547 163 H N -0.042 119.143 119.070 0.191 0.000 3.096 163 H HA -0.119 4.437 4.556 0.001 0.000 0.350 163 H C -0.423 174.967 175.328 0.104 0.000 1.321 163 H CA 0.246 56.362 56.048 0.115 0.000 1.241 163 H CB -1.058 28.754 29.762 0.082 0.000 1.516 163 H HN 0.227 nan 8.280 nan 0.000 0.452 164 S N 1.692 117.499 115.700 0.177 0.000 2.586 164 S HA 0.277 4.748 4.470 0.001 0.000 0.277 164 S C -1.105 173.553 174.600 0.097 0.000 1.131 164 S CA -0.751 57.487 58.200 0.063 0.000 0.848 164 S CB 1.579 64.788 63.200 0.016 0.000 1.091 164 S HN 0.427 nan 8.310 nan 0.000 0.453 165 E N 2.103 122.333 120.200 0.050 0.000 2.452 165 E HA 0.159 4.510 4.350 0.001 0.000 0.261 165 E C 0.577 177.236 176.600 0.098 0.000 0.987 165 E CA 0.215 56.664 56.400 0.082 0.000 0.926 165 E CB 0.135 29.857 29.700 0.037 0.000 0.934 165 E HN 0.559 nan 8.360 nan 0.000 0.452 166 F N 2.958 122.917 119.950 0.015 0.000 2.154 166 F HA -0.306 4.222 4.527 0.001 0.000 0.301 166 F C 2.089 177.854 175.800 -0.058 0.000 1.087 166 F CA 1.880 59.870 58.000 -0.016 0.000 1.274 166 F CB 0.188 39.145 39.000 -0.072 0.000 1.009 166 F HN 0.634 nan 8.300 nan 0.000 0.485 167 E N 0.274 120.375 120.200 -0.166 0.000 2.085 167 E HA -0.333 4.018 4.350 0.001 0.000 0.194 167 E C 2.184 178.605 176.600 -0.298 0.000 0.994 167 E CA 1.597 57.843 56.400 -0.256 0.000 0.801 167 E CB -0.302 29.346 29.700 -0.087 0.000 0.743 167 E HN 0.688 nan 8.360 nan 0.000 0.453 168 E N 0.224 120.296 120.200 -0.212 0.000 2.110 168 E HA -0.193 4.157 4.350 0.001 0.000 0.193 168 E C 2.029 178.440 176.600 -0.315 0.000 0.988 168 E CA 1.332 57.606 56.400 -0.210 0.000 0.804 168 E CB -0.027 29.588 29.700 -0.140 0.000 0.745 168 E HN 0.332 nan 8.360 nan 0.000 0.458 169 I N 1.039 121.376 120.570 -0.388 0.000 2.315 169 I HA -0.218 3.952 4.170 0.001 0.000 0.248 169 I C 2.351 178.010 176.117 -0.763 0.000 1.117 169 I CA 1.136 62.108 61.300 -0.547 0.000 1.404 169 I CB -1.385 36.377 38.000 -0.397 0.000 1.071 169 I HN 0.286 nan 8.210 nan 0.000 0.419 170 N N 1.096 119.332 118.700 -0.773 0.000 2.084 170 N HA -0.227 4.513 4.740 0.001 0.000 0.190 170 N C 2.187 177.488 175.510 -0.348 0.000 1.030 170 N CA 0.937 53.646 53.050 -0.568 0.000 0.849 170 N CB 0.065 38.192 38.487 -0.599 0.000 1.012 170 N HN 0.240 nan 8.380 nan 0.000 0.423 171 R N 0.778 121.094 120.500 -0.308 0.000 2.115 171 R HA -0.064 4.277 4.340 0.001 0.000 0.230 171 R C 1.426 177.600 176.300 -0.209 0.000 1.111 171 R CA 1.110 57.086 56.100 -0.206 0.000 0.976 171 R CB 0.101 30.299 30.300 -0.171 0.000 0.870 171 R HN 0.159 nan 8.270 nan 0.000 0.445 172 V N 0.041 119.785 119.914 -0.282 0.000 3.565 172 V HA 0.041 4.161 4.120 0.001 0.000 0.260 172 V C 1.773 177.682 176.094 -0.307 0.000 1.231 172 V CA 0.507 62.651 62.300 -0.260 0.000 1.100 172 V CB 0.486 32.157 31.823 -0.254 0.000 0.807 172 V HN 0.205 nan 8.190 nan 0.000 0.454 173 L N -2.192 118.750 121.223 -0.467 0.000 2.586 173 L HA 0.277 4.617 4.340 0.001 0.000 0.204 173 L C 2.011 178.725 176.870 -0.259 0.000 1.053 173 L CA 0.611 55.158 54.840 -0.489 0.000 0.856 173 L CB -0.025 41.526 42.059 -0.847 0.000 1.192 173 L HN 0.204 nan 8.230 nan 0.000 0.484 174 F N 0.313 120.213 119.950 -0.083 0.000 2.138 174 F HA 0.355 4.882 4.527 0.001 0.000 0.283 174 F C 1.811 177.582 175.800 -0.048 0.000 1.100 174 F CA 0.593 58.569 58.000 -0.039 0.000 1.189 174 F CB -1.240 37.757 39.000 -0.005 0.000 1.060 174 F HN 0.086 nan 8.300 nan 0.000 0.492 175 G N 0.665 109.533 108.800 0.115 0.000 2.142 175 G HA2 -0.246 3.715 3.960 0.001 0.000 0.225 175 G HA3 -0.246 3.715 3.960 0.001 0.000 0.225 175 G C -0.047 174.889 174.900 0.060 0.000 1.015 175 G CA -0.190 44.933 45.100 0.038 0.000 0.716 175 G HN 0.333 nan 8.290 nan 0.000 0.508 176 E N 0.612 120.873 120.200 0.101 0.000 2.366 176 E HA 0.327 4.677 4.350 0.001 0.000 0.266 176 E C 0.836 177.470 176.600 0.056 0.000 1.015 176 E CA 0.182 56.634 56.400 0.086 0.000 0.906 176 E CB 0.187 29.961 29.700 0.123 0.000 0.979 176 E HN 0.388 nan 8.360 nan 0.000 0.443 177 E N 2.452 122.677 120.200 0.042 0.000 3.687 177 E HA -0.193 4.157 4.350 0.001 0.000 0.319 177 E C -0.545 176.064 176.600 0.015 0.000 0.821 177 E CA 0.675 57.093 56.400 0.030 0.000 1.195 177 E CB -0.971 28.751 29.700 0.037 0.000 1.605 177 E HN 0.667 nan 8.360 nan 0.000 0.419 178 E N -0.405 119.801 120.200 0.011 0.000 3.521 178 E HA 0.105 4.455 4.350 0.001 0.000 0.183 178 E C 0.627 177.227 176.600 -0.000 0.000 0.981 178 E CA -0.170 56.230 56.400 -0.001 0.000 1.349 178 E CB 0.462 30.155 29.700 -0.012 0.000 1.102 178 E HN 0.176 nan 8.360 nan 0.000 0.449 179 E N 1.163 121.366 120.200 0.005 0.000 2.172 179 E HA -0.342 4.009 4.350 0.001 0.000 0.213 179 E C 1.551 178.149 176.600 -0.002 0.000 1.051 179 E CA 1.623 58.025 56.400 0.004 0.000 0.860 179 E CB 0.003 29.706 29.700 0.006 0.000 0.755 179 E HN 0.366 nan 8.360 nan 0.000 0.462 180 Q N -0.106 119.691 119.800 -0.005 0.000 2.197 180 Q HA -0.163 4.178 4.340 0.001 0.000 0.207 180 Q C 2.044 178.037 176.000 -0.012 0.000 0.984 180 Q CA 1.102 56.900 55.803 -0.008 0.000 0.869 180 Q CB -0.077 28.656 28.738 -0.009 0.000 0.906 180 Q HN 0.240 nan 8.270 nan 0.000 0.426 181 R N 0.248 120.740 120.500 -0.014 0.000 2.280 181 R HA 0.010 4.350 4.340 0.001 0.000 0.207 181 R C 0.641 176.929 176.300 -0.019 0.000 1.043 181 R CA 0.344 56.432 56.100 -0.021 0.000 1.006 181 R CB 0.043 30.327 30.300 -0.027 0.000 0.885 181 R HN 0.333 nan 8.270 nan 0.000 0.467 182 Q N 0.338 120.130 119.800 -0.012 0.000 2.249 182 Q HA 0.147 4.488 4.340 0.001 0.000 0.226 182 Q C -0.604 175.388 176.000 -0.013 0.000 0.983 182 Q CA -0.257 55.540 55.803 -0.011 0.000 0.930 182 Q CB 1.214 29.951 28.738 -0.002 0.000 1.193 182 Q HN -0.122 nan 8.270 nan 0.000 0.508 183 Q N 0.377 120.167 119.800 -0.017 0.000 2.241 183 Q HA 0.197 4.537 4.340 0.001 0.000 0.262 183 Q C -1.502 174.490 176.000 -0.013 0.000 1.014 183 Q CA -0.542 55.251 55.803 -0.017 0.000 0.885 183 Q CB 1.421 30.143 28.738 -0.027 0.000 1.311 183 Q HN 0.481 nan 8.270 nan 0.000 0.461 184 E N 1.207 121.408 120.200 0.001 0.000 2.102 184 E HA 0.547 4.897 4.350 0.001 0.000 0.263 184 E C -0.414 176.219 176.600 0.056 0.000 0.894 184 E CA -0.335 56.076 56.400 0.019 0.000 0.746 184 E CB 0.341 30.054 29.700 0.021 0.000 1.129 184 E HN 0.741 nan 8.360 nan 0.000 0.416 185 G N 1.442 110.264 108.800 0.036 0.000 2.707 185 G HA2 -0.236 3.724 3.960 0.001 0.000 0.686 185 G HA3 -0.236 3.724 3.960 0.001 0.000 0.686 185 G C 0.431 175.175 174.900 -0.260 0.000 1.315 185 G CA -0.375 44.764 45.100 0.066 0.000 0.832 185 G HN 0.988 nan 8.290 nan 0.000 0.573 186 V N -1.818 117.620 119.914 -0.793 0.000 3.573 186 V HA 0.468 4.588 4.120 0.001 0.000 0.270 186 V C 1.158 177.025 176.094 -0.379 0.000 1.221 186 V CA 1.324 63.137 62.300 -0.811 0.000 1.163 186 V CB -0.664 30.318 31.823 -1.402 0.000 0.847 186 V HN 0.717 nan 8.190 nan 0.000 0.468 187 I N 2.309 122.780 120.570 -0.164 0.000 2.448 187 I HA 0.558 4.728 4.170 0.001 0.000 0.281 187 I C -0.330 175.836 176.117 0.082 0.000 1.027 187 I CA -0.778 60.562 61.300 0.067 0.000 1.111 187 I CB 1.782 39.932 38.000 0.250 0.000 1.236 187 I HN 0.110 nan 8.210 nan 0.000 0.452 188 V N 2.574 122.512 119.914 0.040 0.000 3.093 188 V HA 0.604 4.724 4.120 0.001 0.000 0.320 188 V C -0.334 175.778 176.094 0.030 0.000 1.093 188 V CA -0.366 61.951 62.300 0.027 0.000 1.016 188 V CB 2.157 33.978 31.823 -0.003 0.000 1.096 188 V HN 0.794 nan 8.190 nan 0.000 0.452 189 E N 0.301 120.511 120.200 0.017 0.000 2.239 189 E HA 0.792 5.143 4.350 0.001 0.000 0.261 189 E C -1.305 175.295 176.600 0.001 0.000 1.016 189 E CA -0.752 55.655 56.400 0.013 0.000 0.882 189 E CB 1.738 31.444 29.700 0.008 0.000 1.190 189 E HN 0.724 nan 8.360 nan 0.000 0.415 190 L N -0.135 121.087 121.223 -0.001 0.000 2.502 190 L HA 0.476 4.816 4.340 0.001 0.000 0.253 190 L C -0.248 176.614 176.870 -0.012 0.000 1.070 190 L CA -1.030 53.804 54.840 -0.009 0.000 0.871 190 L CB 1.592 43.645 42.059 -0.010 0.000 1.487 190 L HN 0.548 nan 8.230 nan 0.000 0.408 191 S N -0.917 114.774 115.700 -0.015 0.000 2.738 191 S HA 0.462 4.933 4.470 0.001 0.000 0.284 191 S C 0.494 175.084 174.600 -0.017 0.000 1.146 191 S CA -0.451 57.740 58.200 -0.016 0.000 0.997 191 S CB 1.564 64.754 63.200 -0.016 0.000 1.081 191 S HN 0.604 nan 8.310 nan 0.000 0.553 192 K N 0.040 120.429 120.400 -0.018 0.000 2.365 192 K HA 0.183 4.503 4.320 0.001 0.000 0.197 192 K C 1.882 178.474 176.600 -0.013 0.000 1.042 192 K CA 0.733 57.009 56.287 -0.018 0.000 0.987 192 K CB -0.136 32.351 32.500 -0.022 0.000 0.779 192 K HN 0.754 nan 8.250 nan 0.000 0.484 193 E N 0.131 120.323 120.200 -0.013 0.000 2.112 193 E HA -0.109 4.241 4.350 0.001 0.000 0.190 193 E C 1.655 178.248 176.600 -0.012 0.000 0.979 193 E CA 0.987 57.380 56.400 -0.011 0.000 0.814 193 E CB 0.208 29.901 29.700 -0.012 0.000 0.762 193 E HN 0.239 nan 8.360 nan 0.000 0.460 194 Q N 0.250 120.041 119.800 -0.016 0.000 1.967 194 Q HA -0.154 4.186 4.340 0.001 0.000 0.202 194 Q C 2.254 178.245 176.000 -0.014 0.000 0.985 194 Q CA 1.857 57.648 55.803 -0.020 0.000 0.839 194 Q CB -0.179 28.543 28.738 -0.026 0.000 0.906 194 Q HN 0.376 nan 8.270 nan 0.000 0.423 195 I N 0.374 120.939 120.570 -0.008 0.000 2.300 195 I HA -0.364 3.806 4.170 0.001 0.000 0.252 195 I C 2.571 178.693 176.117 0.009 0.000 1.119 195 I CA 1.249 62.552 61.300 0.004 0.000 1.384 195 I CB -0.349 37.653 38.000 0.004 0.000 1.062 195 I HN 0.252 nan 8.210 nan 0.000 0.426 196 R N 0.453 120.955 120.500 0.003 0.000 2.061 196 R HA -0.157 4.183 4.340 0.001 0.000 0.230 196 R C 2.405 178.709 176.300 0.007 0.000 1.140 196 R CA 1.235 57.338 56.100 0.006 0.000 0.940 196 R CB -0.106 30.195 30.300 0.001 0.000 0.839 196 R HN 0.332 nan 8.270 nan 0.000 0.429 197 Q N 0.425 120.226 119.800 0.001 0.000 2.217 197 Q HA -0.200 4.140 4.340 0.001 0.000 0.209 197 Q C 2.149 178.154 176.000 0.009 0.000 0.988 197 Q CA 1.491 57.295 55.803 0.001 0.000 0.878 197 Q CB -0.195 28.539 28.738 -0.007 0.000 0.909 197 Q HN 0.410 nan 8.270 nan 0.000 0.424 198 L N -0.543 120.688 121.223 0.012 0.000 2.168 198 L HA 0.038 4.378 4.340 0.001 0.000 0.203 198 L C 2.243 179.137 176.870 0.041 0.000 1.078 198 L CA 0.430 55.289 54.840 0.032 0.000 0.780 198 L CB -0.550 41.527 42.059 0.029 0.000 0.939 198 L HN -0.082 nan 8.230 nan 0.000 0.451 199 S N -0.272 115.447 115.700 0.033 0.000 2.497 199 S HA -0.153 4.317 4.470 0.001 0.000 0.260 199 S C 0.779 175.396 174.600 0.028 0.000 0.988 199 S CA 1.217 59.437 58.200 0.034 0.000 0.967 199 S CB -0.279 62.938 63.200 0.029 0.000 0.741 199 S HN 0.210 nan 8.310 nan 0.000 0.521 200 R N -0.717 119.796 120.500 0.021 0.000 3.207 200 R HA 0.249 4.589 4.340 0.001 0.000 0.238 200 R C -0.366 175.936 176.300 0.003 0.000 1.724 200 R CA -0.050 56.058 56.100 0.013 0.000 1.079 200 R CB 0.338 30.648 30.300 0.016 0.000 1.503 200 R HN 0.148 nan 8.270 nan 0.000 0.471 201 R N -0.119 120.375 120.500 -0.011 0.000 2.526 201 R HA 0.343 4.683 4.340 0.001 0.000 0.346 201 R C 0.093 176.360 176.300 -0.055 0.000 0.926 201 R CA 0.283 56.368 56.100 -0.026 0.000 1.147 201 R CB 0.998 31.283 30.300 -0.025 0.000 1.629 201 R HN 0.438 nan 8.270 nan 0.000 0.516 202 A N 1.632 124.424 122.820 -0.047 0.000 2.492 202 A HA 0.118 4.439 4.320 0.001 0.000 0.236 202 A C -0.198 177.357 177.584 -0.048 0.000 1.078 202 A CA 0.506 52.504 52.037 -0.065 0.000 0.773 202 A CB 0.293 19.281 19.000 -0.020 0.000 1.023 202 A HN 0.252 nan 8.150 nan 0.000 0.504 203 K N 0.212 120.582 120.400 -0.050 0.000 2.375 203 K HA 0.633 4.954 4.320 0.001 0.000 0.249 203 K C -0.886 175.764 176.600 0.084 0.000 0.942 203 K CA -0.413 55.888 56.287 0.024 0.000 0.806 203 K CB 1.624 34.145 32.500 0.034 0.000 1.227 203 K HN 0.738 nan 8.250 nan 0.000 0.430 204 S N 0.567 116.321 115.700 0.090 0.000 2.671 204 S HA 0.377 4.848 4.470 0.001 0.000 0.299 204 S C -0.720 173.947 174.600 0.111 0.000 1.116 204 S CA -1.024 57.221 58.200 0.075 0.000 0.912 204 S CB 1.366 64.639 63.200 0.121 0.000 1.130 204 S HN 0.777 nan 8.310 nan 0.000 0.501 205 S N 0.841 116.605 115.700 0.107 0.000 2.580 205 S HA 0.596 5.067 4.470 0.001 0.000 0.266 205 S C 0.128 174.809 174.600 0.136 0.000 1.354 205 S CA 0.206 58.476 58.200 0.116 0.000 1.008 205 S CB 0.270 63.526 63.200 0.094 0.000 0.898 205 S HN 1.581 nan 8.310 nan 0.000 0.555 206 S N 1.154 116.921 115.700 0.111 0.000 2.636 206 S HA 0.452 4.923 4.470 0.001 0.000 0.268 206 S C 0.313 174.965 174.600 0.087 0.000 1.159 206 S CA -1.065 57.188 58.200 0.089 0.000 0.815 206 S CB 0.982 64.229 63.200 0.079 0.000 1.130 206 S HN 0.727 nan 8.310 nan 0.000 0.471 207 R N 0.667 121.208 120.500 0.070 0.000 2.189 207 R HA -0.011 4.330 4.340 0.001 0.000 0.223 207 R C 1.758 178.100 176.300 0.070 0.000 1.092 207 R CA 1.571 57.714 56.100 0.071 0.000 0.989 207 R CB -0.321 30.012 30.300 0.056 0.000 0.876 207 R HN 0.771 nan 8.270 nan 0.000 0.457 208 K N 0.427 120.866 120.400 0.065 0.000 2.444 208 K HA 0.002 4.322 4.320 0.001 0.000 0.193 208 K C 1.108 177.749 176.600 0.068 0.000 1.024 208 K CA 1.079 57.401 56.287 0.058 0.000 1.077 208 K CB 0.395 32.924 32.500 0.049 0.000 0.833 208 K HN -0.022 nan 8.250 nan 0.000 0.517 209 T N -2.185 112.424 114.554 0.091 0.000 3.069 209 T HA 0.159 4.509 4.350 0.001 0.000 0.252 209 T C 1.582 176.361 174.700 0.132 0.000 1.053 209 T CA -0.435 61.731 62.100 0.110 0.000 0.964 209 T CB -0.115 68.832 68.868 0.131 0.000 1.005 209 T HN 0.077 nan 8.240 nan 0.000 0.532 210 I N 2.526 123.165 120.570 0.114 0.000 2.151 210 I HA -0.087 4.084 4.170 0.001 0.000 0.243 210 I C 0.751 176.855 176.117 -0.021 0.000 1.080 210 I CA 1.222 62.576 61.300 0.091 0.000 1.339 210 I CB -0.763 37.279 38.000 0.070 0.000 1.039 210 I HN 0.283 nan 8.210 nan 0.000 0.409 211 S N 0.932 116.629 115.700 -0.005 0.000 2.891 211 S HA 0.286 4.756 4.470 0.001 0.000 0.186 211 S C 0.074 174.667 174.600 -0.012 0.000 1.401 211 S CA -0.324 57.856 58.200 -0.034 0.000 1.035 211 S CB 0.519 63.708 63.200 -0.018 0.000 1.293 211 S HN 0.382 nan 8.310 nan 0.000 0.493 212 S N 1.068 116.760 115.700 -0.014 0.000 2.540 212 S HA 0.371 4.841 4.470 0.001 0.000 0.275 212 S C 0.301 174.903 174.600 0.004 0.000 1.123 212 S CA -0.672 57.537 58.200 0.015 0.000 0.907 212 S CB 1.424 64.657 63.200 0.054 0.000 1.081 212 S HN 0.345 nan 8.310 nan 0.000 0.476 213 E N 1.715 121.920 120.200 0.008 0.000 2.435 213 E HA -0.008 4.342 4.350 0.001 0.000 0.195 213 E C -0.001 176.609 176.600 0.016 0.000 1.029 213 E CA 0.562 56.964 56.400 0.003 0.000 0.865 213 E CB 0.248 29.948 29.700 0.001 0.000 0.833 213 E HN 0.646 nan 8.360 nan 0.000 0.510 214 D N 0.170 120.591 120.400 0.035 0.000 2.626 214 D HA 0.048 4.689 4.640 0.001 0.000 0.274 214 D C 0.051 176.352 176.300 0.001 0.000 1.045 214 D CA 0.303 54.326 54.000 0.039 0.000 0.925 214 D CB 0.705 41.556 40.800 0.084 0.000 1.260 214 D HN 0.053 nan 8.370 nan 0.000 0.490 215 E N 1.933 122.165 120.200 0.053 0.000 2.349 215 E HA 0.282 4.633 4.350 0.001 0.000 0.262 215 E C -2.274 174.332 176.600 0.011 0.000 1.088 215 E CA -1.747 54.670 56.400 0.029 0.000 0.899 215 E CB 0.743 30.530 29.700 0.146 0.000 1.044 215 E HN 0.075 nan 8.360 nan 0.000 0.420 216 P HA 0.020 nan 4.420 nan 0.000 0.271 216 P C -1.123 176.206 177.300 0.048 0.000 1.216 216 P CA 0.032 63.073 63.100 -0.099 0.000 0.771 216 P CB 0.130 31.707 31.700 -0.203 0.000 0.864 217 F N 0.049 119.991 119.950 -0.013 0.000 2.508 217 F HA 0.525 5.053 4.527 0.001 0.000 0.325 217 F C -0.107 175.711 175.800 0.030 0.000 1.090 217 F CA -1.423 56.591 58.000 0.024 0.000 0.945 217 F CB 0.906 39.930 39.000 0.041 0.000 1.156 217 F HN 0.133 nan 8.300 nan 0.000 0.463 218 N N 4.059 122.810 118.700 0.085 0.000 2.420 218 N HA 0.093 4.833 4.740 0.001 0.000 0.249 218 N C 0.827 176.394 175.510 0.095 0.000 1.033 218 N CA -0.307 52.744 53.050 0.002 0.000 0.944 218 N CB 1.177 39.676 38.487 0.020 0.000 1.113 218 N HN 0.776 nan 8.380 nan 0.000 0.502 219 L N 5.022 126.295 121.223 0.083 0.000 1.971 219 L HA -0.138 4.202 4.340 0.001 0.000 0.215 219 L C 1.818 178.746 176.870 0.095 0.000 1.072 219 L CA 1.987 56.948 54.840 0.202 0.000 0.758 219 L CB -0.662 41.584 42.059 0.312 0.000 0.889 219 L HN 0.564 nan 8.230 nan 0.000 0.433 220 R N -1.215 119.202 120.500 -0.138 0.000 2.307 220 R HA -0.011 4.329 4.340 0.001 0.000 0.199 220 R C 2.257 178.466 176.300 -0.152 0.000 1.000 220 R CA 0.550 56.356 56.100 -0.489 0.000 1.023 220 R CB -0.105 29.752 30.300 -0.739 0.000 0.908 220 R HN 0.336 nan 8.270 nan 0.000 0.473 221 S N 0.482 116.177 115.700 -0.008 0.000 2.523 221 S HA -0.091 4.379 4.470 0.001 0.000 0.226 221 S C 0.835 175.506 174.600 0.119 0.000 1.062 221 S CA 0.941 59.169 58.200 0.048 0.000 1.207 221 S CB 0.022 63.269 63.200 0.077 0.000 1.151 221 S HN 0.235 nan 8.310 nan 0.000 0.408 222 R N 2.038 122.628 120.500 0.150 0.000 2.873 222 R HA 0.014 4.355 4.340 0.001 0.000 0.267 222 R C 0.182 176.629 176.300 0.246 0.000 1.009 222 R CA 0.225 56.420 56.100 0.159 0.000 1.152 222 R CB -0.290 30.089 30.300 0.132 0.000 1.047 222 R HN 0.609 nan 8.270 nan 0.000 0.470 223 N N 1.922 120.725 118.700 0.171 0.000 2.344 223 N HA 0.066 4.807 4.740 0.001 0.000 0.236 223 N C -2.356 173.145 175.510 -0.015 0.000 1.279 223 N CA -0.753 52.371 53.050 0.124 0.000 0.882 223 N CB -0.156 38.353 38.487 0.038 0.000 1.110 223 N HN 0.325 nan 8.380 nan 0.000 0.436 224 P HA 0.098 nan 4.420 nan 0.000 0.278 224 P C 0.604 177.693 177.300 -0.352 0.000 1.238 224 P CA -0.409 62.261 63.100 -0.717 0.000 0.794 224 P CB 0.802 31.824 31.700 -1.130 0.000 0.955 225 I N -0.712 119.635 120.570 -0.371 0.000 2.353 225 I HA -0.026 4.144 4.170 0.001 0.000 0.248 225 I C 0.019 175.856 176.117 -0.467 0.000 1.119 225 I CA 1.097 62.115 61.300 -0.471 0.000 1.417 225 I CB -0.668 36.881 38.000 -0.751 0.000 1.078 225 I HN 0.072 nan 8.210 nan 0.000 0.421 226 Y N 2.188 122.310 120.300 -0.297 0.000 2.338 226 Y HA 0.604 5.154 4.550 0.001 0.000 0.333 226 Y C -0.253 175.628 175.900 -0.031 0.000 0.968 226 Y CA -2.117 55.746 58.100 -0.395 0.000 1.123 226 Y CB 1.432 39.389 38.460 -0.838 0.000 1.165 226 Y HN 0.076 nan 8.280 nan 0.000 0.452 227 S N 3.479 119.278 115.700 0.164 0.000 2.736 227 S HA 0.668 5.138 4.470 0.001 0.000 0.285 227 S C -1.264 173.456 174.600 0.200 0.000 1.163 227 S CA -0.718 57.569 58.200 0.146 0.000 1.025 227 S CB 1.774 64.968 63.200 -0.009 0.000 1.030 227 S HN 0.801 nan 8.310 nan 0.000 0.486 228 N N 2.162 121.012 118.700 0.251 0.000 2.494 228 N HA 0.256 4.996 4.740 0.001 0.000 0.270 228 N C 0.220 175.851 175.510 0.202 0.000 1.285 228 N CA -0.633 52.569 53.050 0.253 0.000 0.812 228 N CB 1.427 40.129 38.487 0.358 0.000 1.557 228 N HN 0.668 nan 8.380 nan 0.000 0.487 229 N N 0.105 118.914 118.700 0.182 0.000 2.313 229 N HA -0.194 4.547 4.740 0.001 0.000 0.196 229 N C 0.288 175.633 175.510 -0.274 0.000 0.995 229 N CA 1.989 54.999 53.050 -0.066 0.000 0.899 229 N CB -0.199 38.178 38.487 -0.183 0.000 0.977 229 N HN 0.470 nan 8.380 nan 0.000 0.451 230 F N -1.551 118.374 119.950 -0.041 0.000 2.682 230 F HA 0.440 4.968 4.527 0.001 0.000 0.308 230 F C 0.976 176.563 175.800 -0.355 0.000 1.093 230 F CA -0.323 57.613 58.000 -0.107 0.000 1.244 230 F CB 1.194 40.186 39.000 -0.012 0.000 1.052 230 F HN -0.045 nan 8.300 nan 0.000 0.573 231 G N 0.348 108.919 108.800 -0.382 0.000 2.466 231 G HA2 0.529 4.489 3.960 0.001 0.000 0.291 231 G HA3 0.529 4.489 3.960 0.001 0.000 0.291 231 G C -2.016 172.513 174.900 -0.619 0.000 1.460 231 G CA -0.937 43.547 45.100 -1.027 0.000 0.791 231 G HN -0.076 nan 8.290 nan 0.000 0.505 232 K N -0.455 119.709 120.400 -0.393 0.000 2.501 232 K HA 0.559 4.879 4.320 0.001 0.000 0.252 232 K C -2.034 174.678 176.600 0.186 0.000 0.934 232 K CA -0.649 55.643 56.287 0.009 0.000 0.797 232 K CB 2.617 35.124 32.500 0.012 0.000 1.270 232 K HN 0.307 nan 8.250 nan 0.000 0.431 233 F N 3.869 123.848 119.950 0.048 0.000 2.434 233 F HA 0.457 4.985 4.527 0.001 0.000 0.355 233 F C -1.345 174.299 175.800 -0.261 0.000 1.115 233 F CA -0.772 57.245 58.000 0.028 0.000 1.010 233 F CB 0.549 39.590 39.000 0.069 0.000 1.234 233 F HN 0.352 nan 8.300 nan 0.000 0.439 234 F N 3.873 123.850 119.950 0.046 0.000 2.415 234 F HA 0.438 4.966 4.527 0.001 0.000 0.348 234 F C -0.046 175.844 175.800 0.149 0.000 1.119 234 F CA -0.566 57.481 58.000 0.079 0.000 1.069 234 F CB 1.517 40.536 39.000 0.032 0.000 1.124 234 F HN 0.412 nan 8.300 nan 0.000 0.472 235 E N 4.468 124.863 120.200 0.325 0.000 2.290 235 E HA 0.439 4.790 4.350 0.001 0.000 0.274 235 E C -1.970 174.782 176.600 0.254 0.000 0.889 235 E CA -0.628 55.972 56.400 0.332 0.000 0.760 235 E CB 2.049 31.934 29.700 0.307 0.000 1.206 235 E HN 0.657 nan 8.360 nan 0.000 0.419 236 I N 5.187 125.938 120.570 0.301 0.000 2.420 236 I HA 0.251 4.422 4.170 0.001 0.000 0.282 236 I C -0.360 175.896 176.117 0.232 0.000 1.019 236 I CA -0.222 61.223 61.300 0.241 0.000 1.130 236 I CB 1.387 39.576 38.000 0.315 0.000 1.262 236 I HN 0.772 nan 8.210 nan 0.000 0.454 237 T N 4.500 119.140 114.554 0.144 0.000 2.918 237 T HA 0.454 4.805 4.350 0.001 0.000 0.283 237 T C -1.912 172.824 174.700 0.059 0.000 1.001 237 T CA -1.729 60.450 62.100 0.132 0.000 1.041 237 T CB 1.456 70.353 68.868 0.049 0.000 1.028 237 T HN 0.295 nan 8.240 nan 0.000 0.511 238 P HA -0.157 nan 4.420 nan 0.000 0.217 238 P C 1.237 178.530 177.300 -0.012 0.000 1.148 238 P CA 1.144 64.256 63.100 0.020 0.000 0.828 238 P CB -0.053 31.674 31.700 0.045 0.000 0.783 239 E N -0.441 119.757 120.200 -0.004 0.000 2.516 239 E HA -0.109 4.241 4.350 0.001 0.000 0.199 239 E C 1.441 178.027 176.600 -0.024 0.000 1.069 239 E CA 0.796 57.188 56.400 -0.013 0.000 0.876 239 E CB -0.245 29.449 29.700 -0.010 0.000 0.843 239 E HN 0.321 nan 8.360 nan 0.000 0.530 240 K N 0.221 120.599 120.400 -0.038 0.000 2.387 240 K HA 0.082 4.402 4.320 0.001 0.000 0.197 240 K C 0.350 176.890 176.600 -0.101 0.000 1.127 240 K CA 0.055 56.312 56.287 -0.050 0.000 0.950 240 K CB 0.650 33.132 32.500 -0.032 0.000 1.017 240 K HN -0.066 nan 8.250 nan 0.000 0.519 241 N N 0.191 118.793 118.700 -0.163 0.000 2.430 241 N HA 0.155 4.896 4.740 0.001 0.000 0.290 241 N C -2.532 172.858 175.510 -0.200 0.000 1.063 241 N CA -1.967 50.925 53.050 -0.263 0.000 0.883 241 N CB 1.915 40.029 38.487 -0.620 0.000 1.465 241 N HN -0.243 nan 8.380 nan 0.000 0.493 242 P HA -0.216 nan 4.420 nan 0.000 0.216 242 P C 1.086 178.344 177.300 -0.071 0.000 1.157 242 P CA 1.581 64.634 63.100 -0.079 0.000 0.880 242 P CB 0.486 32.154 31.700 -0.053 0.000 0.791 243 Q N -1.113 118.636 119.800 -0.085 0.000 2.096 243 Q HA -0.188 4.153 4.340 0.001 0.000 0.208 243 Q C 2.146 178.143 176.000 -0.006 0.000 0.993 243 Q CA 1.328 57.119 55.803 -0.021 0.000 0.862 243 Q CB -0.708 28.064 28.738 0.057 0.000 0.915 243 Q HN 0.134 nan 8.270 nan 0.000 0.416 244 L N 0.034 121.222 121.223 -0.057 0.000 2.376 244 L HA -0.082 4.258 4.340 0.001 0.000 0.219 244 L C 2.184 179.057 176.870 0.006 0.000 1.133 244 L CA 1.348 56.190 54.840 0.002 0.000 0.816 244 L CB -0.329 41.713 42.059 -0.029 0.000 0.933 244 L HN 0.087 nan 8.230 nan 0.000 0.449 245 R N -0.520 119.967 120.500 -0.023 0.000 2.073 245 R HA -0.110 4.231 4.340 0.001 0.000 0.229 245 R C 1.421 177.721 176.300 0.000 0.000 1.120 245 R CA 1.407 57.501 56.100 -0.010 0.000 0.967 245 R CB -0.001 30.284 30.300 -0.024 0.000 0.862 245 R HN 0.254 nan 8.270 nan 0.000 0.436 246 D N 0.286 120.683 120.400 -0.005 0.000 2.350 246 D HA -0.085 4.555 4.640 0.001 0.000 0.216 246 D C 1.464 177.765 176.300 0.003 0.000 0.968 246 D CA 0.831 54.828 54.000 -0.006 0.000 0.894 246 D CB 0.207 40.999 40.800 -0.013 0.000 0.909 246 D HN 0.334 nan 8.370 nan 0.000 0.520 247 L N -0.511 120.723 121.223 0.018 0.000 2.515 247 L HA 0.085 4.425 4.340 0.001 0.000 0.223 247 L C 0.229 177.129 176.870 0.050 0.000 1.079 247 L CA -0.054 54.806 54.840 0.034 0.000 0.857 247 L CB 0.214 42.301 42.059 0.047 0.000 1.050 247 L HN -0.126 nan 8.230 nan 0.000 0.476 248 D N 1.069 121.497 120.400 0.046 0.000 2.716 248 D HA -0.202 4.438 4.640 0.001 0.000 0.239 248 D C -0.514 175.831 176.300 0.075 0.000 1.125 248 D CA 0.593 54.627 54.000 0.057 0.000 0.681 248 D CB -0.975 39.855 40.800 0.049 0.000 1.070 248 D HN 0.223 nan 8.370 nan 0.000 0.432 249 I N 0.627 121.249 120.570 0.088 0.000 2.730 249 I HA 0.529 4.699 4.170 0.001 0.000 0.298 249 I C 0.067 176.289 176.117 0.175 0.000 1.089 249 I CA -1.420 59.935 61.300 0.091 0.000 1.041 249 I CB 1.634 39.663 38.000 0.047 0.000 1.235 249 I HN 0.069 nan 8.210 nan 0.000 0.423 250 F N 5.301 125.308 119.950 0.095 0.000 2.495 250 F HA 0.778 5.306 4.527 0.001 0.000 0.327 250 F C -1.734 174.156 175.800 0.151 0.000 1.103 250 F CA -0.758 57.309 58.000 0.111 0.000 0.949 250 F CB 0.983 40.037 39.000 0.090 0.000 1.142 250 F HN 0.160 nan 8.300 nan 0.000 0.457 251 L N 4.320 125.670 121.223 0.213 0.000 2.325 251 L HA 0.722 5.063 4.340 0.001 0.000 0.278 251 L C -0.626 176.360 176.870 0.193 0.000 1.023 251 L CA -0.625 54.250 54.840 0.057 0.000 0.811 251 L CB 2.186 44.351 42.059 0.175 0.000 1.249 251 L HN 0.990 nan 8.230 nan 0.000 0.431 252 S N 0.643 116.357 115.700 0.024 0.000 2.550 252 S HA 0.595 5.065 4.470 0.001 0.000 0.270 252 S C -0.992 173.535 174.600 -0.120 0.000 1.145 252 S CA -0.798 57.478 58.200 0.127 0.000 0.852 252 S CB 1.966 65.436 63.200 0.451 0.000 1.119 252 S HN 0.421 nan 8.310 nan 0.000 0.465 253 S N 0.842 116.477 115.700 -0.107 0.000 2.647 253 S HA 0.726 5.196 4.470 0.001 0.000 0.300 253 S C -0.776 173.655 174.600 -0.281 0.000 1.129 253 S CA -0.457 57.627 58.200 -0.193 0.000 1.029 253 S CB 0.836 64.013 63.200 -0.039 0.000 1.007 253 S HN 1.719 nan 8.310 nan 0.000 0.484 254 V N 2.190 121.747 119.914 -0.596 0.000 2.769 254 V HA 0.788 4.909 4.120 0.001 0.000 0.312 254 V C -1.591 174.221 176.094 -0.471 0.000 1.061 254 V CA -0.697 61.248 62.300 -0.591 0.000 0.931 254 V CB 2.178 33.487 31.823 -0.855 0.000 1.010 254 V HN 0.755 nan 8.190 nan 0.000 0.433 255 D N 4.937 125.193 120.400 -0.240 0.000 2.391 255 D HA 0.614 5.255 4.640 0.001 0.000 0.245 255 D C -0.627 175.510 176.300 -0.272 0.000 1.069 255 D CA 0.142 54.022 54.000 -0.200 0.000 0.831 255 D CB 2.030 42.774 40.800 -0.093 0.000 1.204 255 D HN 0.680 nan 8.370 nan 0.000 0.503 256 I N 1.937 122.394 120.570 -0.188 0.000 2.439 256 I HA 0.204 4.375 4.170 0.001 0.000 0.283 256 I C 0.376 176.448 176.117 -0.075 0.000 1.023 256 I CA -0.715 60.474 61.300 -0.185 0.000 1.100 256 I CB 1.411 39.412 38.000 0.002 0.000 1.238 256 I HN 0.034 nan 8.210 nan 0.000 0.445 257 N N 4.739 123.387 118.700 -0.087 0.000 2.344 257 N HA -0.020 4.720 4.740 0.001 0.000 0.236 257 N C 0.097 175.619 175.510 0.021 0.000 1.279 257 N CA -0.124 52.905 53.050 -0.035 0.000 0.882 257 N CB 0.805 39.259 38.487 -0.055 0.000 1.110 257 N HN 0.614 nan 8.380 nan 0.000 0.436 258 E N 0.090 120.302 120.200 0.020 0.000 2.415 258 E HA 0.031 4.382 4.350 0.001 0.000 0.263 258 E C 0.834 177.471 176.600 0.062 0.000 0.995 258 E CA 0.488 56.911 56.400 0.040 0.000 0.915 258 E CB 0.106 29.822 29.700 0.026 0.000 0.951 258 E HN 0.751 nan 8.360 nan 0.000 0.449 259 G N 2.418 111.265 108.800 0.077 0.000 2.234 259 G HA2 -0.271 3.690 3.960 0.001 0.000 0.235 259 G HA3 -0.271 3.690 3.960 0.001 0.000 0.235 259 G C 0.199 175.180 174.900 0.134 0.000 0.997 259 G CA 0.034 45.192 45.100 0.097 0.000 0.623 259 G HN 0.893 nan 8.290 nan 0.000 0.514 260 A N -0.162 122.752 122.820 0.156 0.000 2.269 260 A HA 0.966 5.287 4.320 0.001 0.000 0.319 260 A C -0.126 177.553 177.584 0.158 0.000 1.110 260 A CA 0.117 52.265 52.037 0.185 0.000 0.847 260 A CB 1.285 20.434 19.000 0.248 0.000 1.161 260 A HN 1.820 nan 8.150 nan 0.000 0.497 261 L N 0.590 121.920 121.223 0.177 0.000 2.445 261 L HA 0.683 5.024 4.340 0.001 0.000 0.262 261 L C -1.653 175.386 176.870 0.282 0.000 0.974 261 L CA -0.940 54.016 54.840 0.193 0.000 0.822 261 L CB 1.824 43.946 42.059 0.105 0.000 1.339 261 L HN 0.591 nan 8.230 nan 0.000 0.409 262 L N 5.224 126.630 121.223 0.306 0.000 2.356 262 L HA 0.396 4.737 4.340 0.001 0.000 0.282 262 L C -0.106 176.843 176.870 0.132 0.000 1.132 262 L CA -0.061 54.928 54.840 0.247 0.000 0.923 262 L CB -0.212 42.047 42.059 0.333 0.000 1.278 262 L HN 0.625 nan 8.230 nan 0.000 0.436 263 L N 6.311 127.580 121.223 0.077 0.000 2.903 263 L HA -0.147 4.194 4.340 0.001 0.000 0.325 263 L C -1.631 175.383 176.870 0.241 0.000 1.225 263 L CA -0.770 54.137 54.840 0.111 0.000 0.851 263 L CB -0.361 41.712 42.059 0.024 0.000 1.136 263 L HN 0.497 nan 8.230 nan 0.000 0.534 264 P HA -0.040 nan 4.420 nan 0.000 0.255 264 P C -0.747 176.670 177.300 0.195 0.000 1.173 264 P CA 0.763 63.948 63.100 0.142 0.000 0.780 264 P CB 0.122 31.878 31.700 0.093 0.000 0.758 265 H N 2.327 121.367 119.070 -0.051 0.000 2.977 265 H HA 0.696 5.252 4.556 0.001 0.000 0.350 265 H C -1.270 174.118 175.328 0.100 0.000 1.238 265 H CA -1.197 54.708 56.048 -0.238 0.000 1.124 265 H CB 1.426 30.541 29.762 -1.078 0.000 1.866 265 H HN 0.305 nan 8.280 nan 0.000 0.550 266 F N 0.031 119.862 119.950 -0.198 0.000 2.601 266 F HA 0.486 5.013 4.527 0.001 0.000 0.309 266 F C -1.327 174.437 175.800 -0.059 0.000 1.089 266 F CA -1.097 56.833 58.000 -0.116 0.000 0.940 266 F CB 1.568 40.548 39.000 -0.033 0.000 1.273 266 F HN 0.342 nan 8.300 nan 0.000 0.450 267 N N 1.729 120.538 118.700 0.181 0.000 2.529 267 N HA 0.090 4.831 4.740 0.001 0.000 0.278 267 N C 0.781 176.397 175.510 0.176 0.000 1.146 267 N CA 0.347 53.450 53.050 0.089 0.000 0.980 267 N CB 1.886 40.435 38.487 0.102 0.000 1.124 267 N HN 0.885 nan 8.380 nan 0.000 0.458 268 S N 2.398 118.123 115.700 0.043 0.000 2.345 268 S HA -0.104 4.367 4.470 0.001 0.000 0.220 268 S C 1.010 175.679 174.600 0.113 0.000 1.031 268 S CA 1.451 59.709 58.200 0.096 0.000 0.996 268 S CB 0.152 63.357 63.200 0.008 0.000 0.882 268 S HN 0.772 nan 8.310 nan 0.000 0.445 269 K N -0.776 119.664 120.400 0.067 0.000 2.585 269 K HA 0.535 4.856 4.320 0.001 0.000 0.210 269 K C -0.105 176.523 176.600 0.046 0.000 1.294 269 K CA 0.110 56.430 56.287 0.055 0.000 1.025 269 K CB 0.463 32.988 32.500 0.043 0.000 1.076 269 K HN 0.258 nan 8.250 nan 0.000 0.613 270 A N 2.148 125.012 122.820 0.073 0.000 2.320 270 A HA 0.519 4.840 4.320 0.001 0.000 0.287 270 A C -0.218 177.393 177.584 0.046 0.000 1.181 270 A CA -0.657 51.450 52.037 0.116 0.000 0.831 270 A CB -0.020 19.167 19.000 0.311 0.000 1.102 270 A HN 0.345 nan 8.150 nan 0.000 0.513 271 I N 3.131 123.673 120.570 -0.047 0.000 2.396 271 I HA 0.176 4.347 4.170 0.001 0.000 0.289 271 I C -0.361 175.655 176.117 -0.168 0.000 1.056 271 I CA -0.189 61.013 61.300 -0.162 0.000 1.365 271 I CB 1.256 39.120 38.000 -0.225 0.000 1.407 271 I HN 0.263 nan 8.210 nan 0.000 0.509 272 V N 8.351 128.156 119.914 -0.181 0.000 2.398 272 V HA 0.370 4.491 4.120 0.001 0.000 0.286 272 V C 0.041 176.021 176.094 -0.189 0.000 1.026 272 V CA -0.446 61.764 62.300 -0.150 0.000 0.868 272 V CB 1.834 33.641 31.823 -0.026 0.000 0.982 272 V HN 0.446 nan 8.190 nan 0.000 0.443 273 I N 6.948 127.430 120.570 -0.146 0.000 2.328 273 I HA 0.375 4.546 4.170 0.001 0.000 0.287 273 I C -0.550 175.592 176.117 0.043 0.000 1.012 273 I CA -0.405 60.856 61.300 -0.065 0.000 1.195 273 I CB 1.361 39.325 38.000 -0.059 0.000 1.350 273 I HN 0.486 nan 8.210 nan 0.000 0.464 274 L N 8.497 129.764 121.223 0.073 0.000 2.313 274 L HA 0.850 5.191 4.340 0.001 0.000 0.283 274 L C -0.531 176.429 176.870 0.150 0.000 1.013 274 L CA -0.634 54.251 54.840 0.074 0.000 0.816 274 L CB 1.658 43.700 42.059 -0.029 0.000 1.236 274 L HN 0.353 nan 8.230 nan 0.000 0.419 275 V N 3.278 123.280 119.914 0.148 0.000 2.628 275 V HA 0.627 4.748 4.120 0.001 0.000 0.306 275 V C -0.196 176.027 176.094 0.215 0.000 1.045 275 V CA -0.680 61.736 62.300 0.193 0.000 0.905 275 V CB 1.779 33.720 31.823 0.196 0.000 0.997 275 V HN 0.746 nan 8.190 nan 0.000 0.436 276 I N 4.853 125.549 120.570 0.210 0.000 2.337 276 I HA 0.274 4.444 4.170 0.001 0.000 0.291 276 I C 1.220 177.432 176.117 0.159 0.000 1.046 276 I CA 0.312 61.743 61.300 0.218 0.000 1.324 276 I CB 0.604 38.720 38.000 0.193 0.000 1.409 276 I HN 0.969 nan 8.210 nan 0.000 0.494 277 N N 4.956 123.747 118.700 0.152 0.000 2.405 277 N HA -0.006 4.735 4.740 0.001 0.000 0.175 277 N C 0.286 175.844 175.510 0.079 0.000 1.051 277 N CA 0.403 53.517 53.050 0.107 0.000 0.899 277 N CB 1.020 39.570 38.487 0.105 0.000 1.000 277 N HN 0.717 nan 8.380 nan 0.000 0.451 278 E N -0.149 120.101 120.200 0.084 0.000 2.428 278 E HA 0.363 4.713 4.350 0.001 0.000 0.307 278 E C -1.098 175.544 176.600 0.070 0.000 0.902 278 E CA -0.184 56.253 56.400 0.061 0.000 0.799 278 E CB 1.131 30.854 29.700 0.038 0.000 1.351 278 E HN 0.321 nan 8.360 nan 0.000 0.392 279 G N 3.573 112.413 108.800 0.068 0.000 2.343 279 G HA2 0.016 3.977 3.960 0.001 0.000 0.562 279 G HA3 0.016 3.977 3.960 0.001 0.000 0.562 279 G C -1.726 173.224 174.900 0.083 0.000 1.269 279 G CA -0.528 44.615 45.100 0.072 0.000 1.011 279 G HN 0.493 nan 8.290 nan 0.000 0.498 280 D N 0.237 120.685 120.400 0.080 0.000 2.629 280 D HA 0.712 5.352 4.640 0.001 0.000 0.250 280 D C 0.304 176.654 176.300 0.083 0.000 1.126 280 D CA 0.508 54.554 54.000 0.077 0.000 0.852 280 D CB 1.815 42.649 40.800 0.057 0.000 1.335 280 D HN 0.897 nan 8.370 nan 0.000 0.518 281 A N 2.583 125.454 122.820 0.086 0.000 2.435 281 A HA 0.793 5.114 4.320 0.001 0.000 0.296 281 A C -1.060 176.543 177.584 0.032 0.000 1.147 281 A CA -0.872 51.212 52.037 0.079 0.000 0.775 281 A CB 1.441 20.512 19.000 0.117 0.000 1.340 281 A HN 0.551 nan 8.150 nan 0.000 0.427 282 N N 0.140 118.851 118.700 0.019 0.000 2.540 282 N HA 0.527 5.267 4.740 0.001 0.000 0.275 282 N C -1.362 174.129 175.510 -0.031 0.000 1.053 282 N CA -0.260 52.780 53.050 -0.016 0.000 0.876 282 N CB 0.915 39.404 38.487 0.003 0.000 1.284 282 N HN 0.689 nan 8.380 nan 0.000 0.518 283 I N 1.365 121.877 120.570 -0.096 0.000 2.569 283 I HA 0.483 4.653 4.170 0.001 0.000 0.296 283 I C -0.974 175.105 176.117 -0.064 0.000 1.028 283 I CA -0.651 60.586 61.300 -0.106 0.000 1.082 283 I CB 1.602 39.460 38.000 -0.237 0.000 1.264 283 I HN 0.507 nan 8.210 nan 0.000 0.429 284 E N 6.928 127.154 120.200 0.043 0.000 2.187 284 E HA 0.473 4.823 4.350 0.001 0.000 0.268 284 E C -1.331 175.420 176.600 0.252 0.000 0.896 284 E CA -0.671 55.806 56.400 0.129 0.000 0.766 284 E CB 2.886 32.647 29.700 0.101 0.000 1.142 284 E HN 0.463 nan 8.360 nan 0.000 0.408 285 L N 3.313 124.744 121.223 0.346 0.000 2.346 285 L HA 0.587 4.928 4.340 0.001 0.000 0.276 285 L C -1.290 175.802 176.870 0.371 0.000 1.006 285 L CA -0.993 54.086 54.840 0.397 0.000 0.817 285 L CB 1.700 44.028 42.059 0.448 0.000 1.272 285 L HN 0.346 nan 8.230 nan 0.000 0.421 286 V N 3.512 123.584 119.914 0.263 0.000 2.487 286 V HA 0.855 4.976 4.120 0.001 0.000 0.298 286 V C 0.237 176.335 176.094 0.007 0.000 1.028 286 V CA -0.262 62.135 62.300 0.161 0.000 0.860 286 V CB 1.601 33.465 31.823 0.068 0.000 0.991 286 V HN 0.937 nan 8.190 nan 0.000 0.427 287 G N 4.232 113.041 108.800 0.015 0.000 2.684 287 G HA2 0.656 4.616 3.960 0.001 0.000 0.290 287 G HA3 0.656 4.616 3.960 0.001 0.000 0.290 287 G C -1.199 173.636 174.900 -0.108 0.000 1.425 287 G CA -0.796 44.131 45.100 -0.288 0.000 0.822 287 G HN 0.428 nan 8.290 nan 0.000 0.482 288 I N 0.009 120.478 120.570 -0.167 0.000 2.764 288 I HA 0.388 4.559 4.170 0.001 0.000 0.294 288 I C 0.523 176.651 176.117 0.020 0.000 1.045 288 I CA -0.512 60.748 61.300 -0.066 0.000 1.340 288 I CB 1.399 39.355 38.000 -0.073 0.000 1.436 288 I HN 0.577 nan 8.210 nan 0.000 0.567 302 L N 1.343 122.562 121.223 -0.007 0.000 2.678 302 L HA 0.395 4.736 4.340 0.001 0.000 0.250 302 L C -0.801 176.058 176.870 -0.017 0.000 1.455 302 L CA -0.005 54.827 54.840 -0.014 0.000 0.823 302 L CB 1.100 43.151 42.059 -0.014 0.000 1.107 302 L HN 0.237 nan 8.230 nan 0.000 0.514 303 E N 0.692 120.881 120.200 -0.018 0.000 2.134 303 E HA 0.228 4.578 4.350 0.001 0.000 0.278 303 E C -0.325 176.255 176.600 -0.033 0.000 0.959 303 E CA -0.510 55.876 56.400 -0.023 0.000 0.783 303 E CB 2.734 32.421 29.700 -0.022 0.000 1.095 303 E HN 0.028 nan 8.360 nan 0.000 0.399 304 V N 4.390 124.282 119.914 -0.036 0.000 2.400 304 V HA -0.081 4.039 4.120 0.001 0.000 0.263 304 V C 0.230 176.290 176.094 -0.056 0.000 1.026 304 V CA 0.406 62.680 62.300 -0.044 0.000 1.077 304 V CB 0.025 31.827 31.823 -0.035 0.000 1.054 304 V HN 0.627 nan 8.190 nan 0.000 0.477 305 Q N 6.777 126.533 119.800 -0.074 0.000 2.274 305 Q HA 0.355 4.695 4.340 0.001 0.000 0.256 305 Q C -0.003 175.883 176.000 -0.189 0.000 0.927 305 Q CA -0.491 55.213 55.803 -0.166 0.000 0.939 305 Q CB 0.797 29.386 28.738 -0.248 0.000 1.201 305 Q HN 0.714 nan 8.270 nan 0.000 0.426 306 R N 3.923 124.310 120.500 -0.188 0.000 2.207 306 R HA 0.287 4.628 4.340 0.001 0.000 0.334 306 R C -1.123 175.113 176.300 -0.108 0.000 1.013 306 R CA -0.490 55.567 56.100 -0.073 0.000 0.858 306 R CB 0.332 30.620 30.300 -0.019 0.000 1.094 306 R HN 0.573 nan 8.270 nan 0.000 0.457 307 Y N 2.026 122.432 120.300 0.176 0.000 2.331 307 Y HA 0.459 5.009 4.550 0.001 0.000 0.338 307 Y C 0.671 176.702 175.900 0.219 0.000 0.992 307 Y CA -0.561 57.685 58.100 0.243 0.000 1.121 307 Y CB 1.674 40.388 38.460 0.424 0.000 1.184 307 Y HN 0.378 nan 8.280 nan 0.000 0.469 308 R N 1.844 122.516 120.500 0.287 0.000 2.808 308 R HA 0.942 5.283 4.340 0.001 0.000 0.272 308 R C -1.611 174.725 176.300 0.061 0.000 0.995 308 R CA -0.992 55.196 56.100 0.148 0.000 0.917 308 R CB 2.176 32.519 30.300 0.072 0.000 1.217 308 R HN 0.788 nan 8.270 nan 0.000 0.471 309 A N 1.723 124.499 122.820 -0.072 0.000 2.608 309 A HA 0.365 4.686 4.320 0.001 0.000 0.292 309 A C -1.767 175.661 177.584 -0.260 0.000 1.066 309 A CA -0.749 51.137 52.037 -0.251 0.000 0.676 309 A CB 1.745 20.510 19.000 -0.391 0.000 1.277 309 A HN 0.700 nan 8.150 nan 0.000 0.413 310 E N 0.975 120.987 120.200 -0.314 0.000 2.073 310 E HA 0.501 4.852 4.350 0.001 0.000 0.269 310 E C -1.294 175.255 176.600 -0.085 0.000 0.917 310 E CA -0.183 56.125 56.400 -0.153 0.000 0.757 310 E CB 1.141 30.785 29.700 -0.092 0.000 1.111 310 E HN 0.481 nan 8.360 nan 0.000 0.410 311 L N 2.414 123.649 121.223 0.019 0.000 2.309 311 L HA 0.471 4.811 4.340 0.001 0.000 0.282 311 L C 0.284 177.241 176.870 0.145 0.000 1.036 311 L CA -0.391 54.556 54.840 0.178 0.000 0.806 311 L CB 1.344 43.520 42.059 0.196 0.000 1.220 311 L HN 0.472 nan 8.230 nan 0.000 0.429 312 S N 0.053 115.854 115.700 0.167 0.000 2.811 312 S HA 0.414 4.884 4.470 0.001 0.000 0.311 312 S C -0.541 174.127 174.600 0.113 0.000 1.152 312 S CA -1.052 57.220 58.200 0.120 0.000 0.864 312 S CB 1.149 64.405 63.200 0.093 0.000 1.226 312 S HN 0.600 nan 8.310 nan 0.000 0.541 313 E N 0.456 120.704 120.200 0.080 0.000 2.604 313 E HA -0.083 4.267 4.350 0.001 0.000 0.267 313 E C -0.617 176.000 176.600 0.029 0.000 0.970 313 E CA 1.092 57.526 56.400 0.058 0.000 0.956 313 E CB -0.047 29.672 29.700 0.033 0.000 0.939 313 E HN 0.605 nan 8.360 nan 0.000 0.465 314 D N 1.764 122.173 120.400 0.015 0.000 3.076 314 D HA -0.170 4.470 4.640 0.001 0.000 0.218 314 D C -1.178 175.103 176.300 -0.032 0.000 1.156 314 D CA 1.217 55.175 54.000 -0.071 0.000 0.921 314 D CB -0.835 39.834 40.800 -0.217 0.000 1.113 314 D HN 0.373 nan 8.370 nan 0.000 0.418 315 D N -0.424 120.032 120.400 0.095 0.000 2.198 315 D HA 0.404 5.045 4.640 0.001 0.000 0.245 315 D C 0.033 176.479 176.300 0.243 0.000 1.079 315 D CA -0.357 53.742 54.000 0.165 0.000 0.854 315 D CB 1.418 42.369 40.800 0.251 0.000 1.148 315 D HN -0.147 nan 8.370 nan 0.000 0.456 316 V N 3.405 123.490 119.914 0.285 0.000 2.427 316 V HA 0.465 4.586 4.120 0.001 0.000 0.286 316 V C -0.462 175.917 176.094 0.476 0.000 1.034 316 V CA -0.823 61.686 62.300 0.348 0.000 0.893 316 V CB 1.080 33.087 31.823 0.305 0.000 0.982 316 V HN 0.401 nan 8.190 nan 0.000 0.452 317 F N 4.239 124.356 119.950 0.279 0.000 2.579 317 F HA 0.637 5.165 4.527 0.000 0.000 0.325 317 F C -0.617 175.306 175.800 0.206 0.000 1.162 317 F CA -0.548 57.637 58.000 0.308 0.000 0.946 317 F CB 1.653 40.804 39.000 0.252 0.000 1.211 317 F HN 0.280 nan 8.300 nan 0.000 0.447 318 V N 7.755 127.513 119.914 -0.261 0.000 2.383 318 V HA 0.349 4.470 4.120 0.001 0.000 0.275 318 V C -0.086 175.604 176.094 -0.673 0.000 1.036 318 V CA -0.575 61.548 62.300 -0.294 0.000 0.889 318 V CB 1.439 33.216 31.823 -0.075 0.000 0.985 318 V HN 0.632 nan 8.190 nan 0.000 0.459 319 I N 6.882 127.083 120.570 -0.615 0.000 2.354 319 I HA 0.599 4.770 4.170 0.001 0.000 0.286 319 I C -2.493 173.196 176.117 -0.714 0.000 1.007 319 I CA -2.408 58.418 61.300 -0.790 0.000 1.167 319 I CB 2.049 39.588 38.000 -0.769 0.000 1.320 319 I HN 0.403 nan 8.210 nan 0.000 0.458 320 P HA 0.054 nan 4.420 nan 0.000 0.269 320 P C -0.356 176.579 177.300 -0.608 0.000 1.211 320 P CA -0.100 62.492 63.100 -0.847 0.000 0.781 320 P CB 0.464 31.302 31.700 -1.438 0.000 0.877 321 A N 2.244 124.847 122.820 -0.363 0.000 2.425 321 A HA 0.402 4.722 4.320 0.001 0.000 0.242 321 A C 1.386 178.964 177.584 -0.009 0.000 1.077 321 A CA 0.563 52.519 52.037 -0.134 0.000 0.781 321 A CB -1.216 17.748 19.000 -0.061 0.000 1.020 321 A HN 0.777 nan 8.150 nan 0.000 0.494 322 A N -0.386 122.513 122.820 0.132 0.000 4.029 322 A HA -0.207 4.114 4.320 0.001 0.000 0.268 322 A C 0.206 177.827 177.584 0.061 0.000 0.943 322 A CA 1.735 53.868 52.037 0.161 0.000 1.137 322 A CB -2.615 16.437 19.000 0.087 0.000 1.074 322 A HN 1.241 nan 8.150 nan 0.000 0.854 323 Y N 0.841 121.051 120.300 -0.150 0.000 2.393 323 Y HA 0.453 5.003 4.550 0.001 0.000 0.338 323 Y C -1.933 173.926 175.900 -0.068 0.000 1.029 323 Y CA -2.110 55.890 58.100 -0.167 0.000 1.239 323 Y CB 0.236 38.562 38.460 -0.222 0.000 1.170 323 Y HN 0.241 nan 8.280 nan 0.000 0.515 324 P HA 0.224 nan 4.420 nan 0.000 0.279 324 P C -0.888 176.583 177.300 0.286 0.000 1.239 324 P CA -0.028 63.194 63.100 0.204 0.000 0.789 324 P CB 0.788 32.563 31.700 0.124 0.000 0.933 325 F N 1.454 121.378 119.950 -0.043 0.000 2.685 325 F HA 0.781 5.309 4.527 0.001 0.000 0.315 325 F C -2.201 173.626 175.800 0.046 0.000 1.126 325 F CA -1.905 56.102 58.000 0.011 0.000 0.950 325 F CB 0.761 39.788 39.000 0.045 0.000 1.360 325 F HN 0.184 nan 8.300 nan 0.000 0.469 326 V N 2.196 122.019 119.914 -0.152 0.000 2.733 326 V HA 0.718 4.838 4.120 0.001 0.000 0.306 326 V C -1.536 174.477 176.094 -0.135 0.000 1.084 326 V CA -0.725 61.461 62.300 -0.190 0.000 0.905 326 V CB 2.203 34.022 31.823 -0.007 0.000 1.010 326 V HN 0.860 nan 8.190 nan 0.000 0.424 327 V N 5.717 125.574 119.914 -0.094 0.000 2.435 327 V HA 0.499 4.620 4.120 0.001 0.000 0.290 327 V C 0.074 176.235 176.094 0.112 0.000 1.030 327 V CA -0.618 61.704 62.300 0.036 0.000 0.881 327 V CB 1.630 33.542 31.823 0.148 0.000 0.983 327 V HN 0.865 nan 8.190 nan 0.000 0.445 328 N N 2.504 121.257 118.700 0.089 0.000 2.446 328 N HA 0.558 5.298 4.740 0.001 0.000 0.265 328 N C -0.235 175.339 175.510 0.106 0.000 0.975 328 N CA -0.449 52.658 53.050 0.094 0.000 0.928 328 N CB 1.494 40.015 38.487 0.057 0.000 1.160 328 N HN 0.886 nan 8.380 nan 0.000 0.495 329 A N 2.479 125.373 122.820 0.123 0.000 2.457 329 A HA 0.109 4.429 4.320 0.001 0.000 0.298 329 A C 1.364 178.997 177.584 0.080 0.000 1.288 329 A CA -0.267 51.837 52.037 0.111 0.000 0.956 329 A CB -0.171 18.894 19.000 0.109 0.000 1.135 329 A HN 0.785 nan 8.150 nan 0.000 0.535 330 T N -0.442 114.154 114.554 0.070 0.000 3.054 330 T HA 0.210 4.561 4.350 0.001 0.000 0.259 330 T C 0.623 175.351 174.700 0.048 0.000 1.092 330 T CA 0.904 63.036 62.100 0.053 0.000 1.121 330 T CB -0.414 68.481 68.868 0.045 0.000 0.912 330 T HN 1.208 nan 8.240 nan 0.000 0.489 331 S N 0.048 115.779 115.700 0.052 0.000 2.547 331 S HA 0.463 4.934 4.470 0.001 0.000 0.270 331 S C -1.234 173.391 174.600 0.041 0.000 1.150 331 S CA -1.214 57.011 58.200 0.041 0.000 0.850 331 S CB 0.529 63.752 63.200 0.038 0.000 1.118 331 S HN 0.128 nan 8.310 nan 0.000 0.461 332 N N 0.726 119.442 118.700 0.025 0.000 2.276 332 N HA 0.194 4.934 4.740 0.001 0.000 0.279 332 N C -0.611 174.915 175.510 0.026 0.000 1.379 332 N CA 0.369 53.427 53.050 0.014 0.000 0.886 332 N CB -0.399 38.089 38.487 0.001 0.000 1.199 332 N HN 0.647 nan 8.380 nan 0.000 0.493 333 L N 2.679 123.921 121.223 0.032 0.000 2.319 333 L HA 0.711 5.052 4.340 0.001 0.000 0.267 333 L C -0.736 176.138 176.870 0.006 0.000 1.011 333 L CA -0.812 54.063 54.840 0.058 0.000 0.818 333 L CB 1.920 44.056 42.059 0.128 0.000 1.316 333 L HN 0.582 nan 8.230 nan 0.000 0.432 334 N N 2.354 121.067 118.700 0.022 0.000 2.578 334 N HA 0.459 5.199 4.740 0.001 0.000 0.282 334 N C -1.650 173.867 175.510 0.011 0.000 1.119 334 N CA -0.596 52.404 53.050 -0.084 0.000 0.948 334 N CB 0.875 39.327 38.487 -0.059 0.000 1.546 334 N HN 0.576 nan 8.380 nan 0.000 0.525 335 F N 1.459 121.423 119.950 0.023 0.000 2.594 335 F HA 0.792 5.320 4.527 0.001 0.000 0.335 335 F C -1.089 174.666 175.800 -0.076 0.000 1.058 335 F CA -1.434 56.574 58.000 0.012 0.000 0.981 335 F CB 1.125 40.165 39.000 0.067 0.000 1.289 335 F HN 0.293 nan 8.300 nan 0.000 0.490 336 L N 2.248 123.567 121.223 0.160 0.000 2.325 336 L HA 0.905 5.245 4.340 0.001 0.000 0.281 336 L C -1.099 175.648 176.870 -0.204 0.000 1.004 336 L CA -0.547 54.166 54.840 -0.211 0.000 0.823 336 L CB 1.238 43.011 42.059 -0.477 0.000 1.236 336 L HN 0.960 nan 8.230 nan 0.000 0.415 337 A N 4.839 127.521 122.820 -0.229 0.000 2.318 337 A HA 0.728 5.049 4.320 0.001 0.000 0.324 337 A C -1.236 176.057 177.584 -0.485 0.000 1.170 337 A CA -0.365 51.552 52.037 -0.200 0.000 0.810 337 A CB 0.417 19.489 19.000 0.120 0.000 1.198 337 A HN 0.679 nan 8.150 nan 0.000 0.484 338 F N 1.728 121.502 119.950 -0.294 0.000 2.388 338 F HA 0.505 5.032 4.527 0.001 0.000 0.358 338 F C 1.113 176.554 175.800 -0.598 0.000 1.122 338 F CA -0.258 57.500 58.000 -0.404 0.000 1.056 338 F CB 2.172 41.010 39.000 -0.270 0.000 1.155 338 F HN 0.664 nan 8.300 nan 0.000 0.461 339 G N 5.909 114.186 108.800 -0.871 0.000 2.428 339 G HA2 0.477 4.438 3.960 0.001 0.000 0.320 339 G HA3 0.477 4.438 3.960 0.001 0.000 0.320 339 G C -0.300 174.462 174.900 -0.229 0.000 1.098 339 G CA -0.482 44.108 45.100 -0.849 0.000 0.984 339 G HN 0.385 nan 8.290 nan 0.000 0.444 340 I N 1.964 122.421 120.570 -0.188 0.000 2.638 340 I HA 0.107 4.277 4.170 0.001 0.000 0.286 340 I C 1.191 177.291 176.117 -0.029 0.000 1.088 340 I CA -0.104 61.090 61.300 -0.176 0.000 1.397 340 I CB 0.676 38.449 38.000 -0.379 0.000 1.414 340 I HN 0.817 nan 8.210 nan 0.000 0.566 341 N N 3.343 122.049 118.700 0.009 0.000 2.714 341 N HA -0.218 4.523 4.740 0.001 0.000 0.253 341 N C 0.686 176.251 175.510 0.092 0.000 1.024 341 N CA 0.532 53.609 53.050 0.046 0.000 0.726 341 N CB -0.056 38.445 38.487 0.023 0.000 0.908 341 N HN 0.809 nan 8.380 nan 0.000 0.542 342 A N 0.743 123.651 122.820 0.146 0.000 2.123 342 A HA -0.030 4.291 4.320 0.001 0.000 0.214 342 A C 0.841 178.486 177.584 0.102 0.000 1.152 342 A CA 0.690 52.855 52.037 0.214 0.000 0.728 342 A CB -0.026 19.219 19.000 0.408 0.000 0.814 342 A HN 0.691 nan 8.150 nan 0.000 0.464 343 E N 0.787 121.030 120.200 0.072 0.000 2.868 343 E HA -0.099 4.251 4.350 0.001 0.000 0.246 343 E C 0.354 176.967 176.600 0.020 0.000 0.962 343 E CA 1.047 57.470 56.400 0.038 0.000 0.955 343 E CB -0.840 28.878 29.700 0.030 0.000 0.903 343 E HN 0.529 nan 8.360 nan 0.000 0.524 344 N N 1.873 120.575 118.700 0.003 0.000 2.815 344 N HA -0.335 4.405 4.740 0.001 0.000 0.247 344 N C -0.253 175.242 175.510 -0.024 0.000 1.030 344 N CA 0.654 53.698 53.050 -0.011 0.000 0.881 344 N CB -0.820 37.666 38.487 -0.002 0.000 1.134 344 N HN 0.644 nan 8.380 nan 0.000 0.582 345 N N 1.409 120.091 118.700 -0.030 0.000 2.329 345 N HA -0.044 4.696 4.740 0.001 0.000 0.237 345 N C -0.249 175.205 175.510 -0.094 0.000 1.258 345 N CA 1.060 54.080 53.050 -0.050 0.000 0.866 345 N CB 0.589 39.039 38.487 -0.061 0.000 1.102 345 N HN 0.272 nan 8.380 nan 0.000 0.440 346 Q N 0.828 120.573 119.800 -0.092 0.000 2.397 346 Q HA 0.365 4.706 4.340 0.001 0.000 0.275 346 Q C -1.197 174.706 176.000 -0.162 0.000 1.090 346 Q CA -0.748 54.986 55.803 -0.115 0.000 0.809 346 Q CB 1.982 30.667 28.738 -0.087 0.000 1.362 346 Q HN 0.551 nan 8.270 nan 0.000 0.431 347 R N 2.353 122.755 120.500 -0.163 0.000 2.265 347 R HA 0.417 4.758 4.340 0.001 0.000 0.328 347 R C -1.225 174.886 176.300 -0.316 0.000 0.969 347 R CA -0.377 55.593 56.100 -0.217 0.000 0.832 347 R CB 0.585 30.817 30.300 -0.114 0.000 1.139 347 R HN 0.535 nan 8.270 nan 0.000 0.457 348 N N 4.796 123.146 118.700 -0.583 0.000 2.469 348 N HA 0.194 4.934 4.740 0.001 0.000 0.253 348 N C -1.397 173.788 175.510 -0.541 0.000 0.970 348 N CA -0.193 52.491 53.050 -0.611 0.000 0.940 348 N CB 0.973 38.822 38.487 -1.065 0.000 1.128 348 N HN 0.373 nan 8.380 nan 0.000 0.503 349 F N 1.923 121.788 119.950 -0.142 0.000 2.411 349 F HA 0.268 4.796 4.527 0.001 0.000 0.355 349 F C 1.736 177.508 175.800 -0.047 0.000 1.117 349 F CA -0.548 57.404 58.000 -0.080 0.000 1.139 349 F CB 1.037 39.930 39.000 -0.177 0.000 1.120 349 F HN 0.357 nan 8.300 nan 0.000 0.493 350 L N 2.752 124.062 121.223 0.145 0.000 2.131 350 L HA 0.125 4.465 4.340 0.001 0.000 0.206 350 L C 1.071 177.980 176.870 0.065 0.000 1.087 350 L CA 0.527 55.434 54.840 0.112 0.000 0.767 350 L CB -0.274 41.858 42.059 0.121 0.000 0.917 350 L HN 0.608 nan 8.230 nan 0.000 0.441 351 A N -0.470 122.398 122.820 0.080 0.000 2.342 351 A HA 0.720 5.041 4.320 0.001 0.000 0.323 351 A C -0.057 177.490 177.584 -0.062 0.000 1.125 351 A CA 0.102 52.139 52.037 0.001 0.000 0.785 351 A CB 1.274 20.270 19.000 -0.006 0.000 1.221 351 A HN 0.235 nan 8.150 nan 0.000 0.463 352 G N 0.736 109.458 108.800 -0.131 0.000 2.334 352 G HA2 0.232 4.192 3.960 0.001 0.000 0.566 352 G HA3 0.232 4.192 3.960 0.001 0.000 0.566 352 G C 0.111 174.866 174.900 -0.241 0.000 1.413 352 G CA 0.232 45.181 45.100 -0.252 0.000 0.993 352 G HN 1.010 nan 8.290 nan 0.000 0.642 353 E N -0.055 119.970 120.200 -0.291 0.000 2.028 353 E HA 0.080 4.430 4.350 0.001 0.000 0.190 353 E C 1.045 177.498 176.600 -0.246 0.000 0.984 353 E CA 1.091 57.355 56.400 -0.227 0.000 0.800 353 E CB 0.016 29.592 29.700 -0.206 0.000 0.758 353 E HN 0.464 nan 8.360 nan 0.000 0.448 354 K N 0.551 120.710 120.400 -0.402 0.000 2.118 354 K HA 0.099 4.420 4.320 0.001 0.000 0.267 354 K C -0.863 175.537 176.600 -0.333 0.000 0.991 354 K CA 0.106 56.177 56.287 -0.360 0.000 0.916 354 K CB 1.214 33.459 32.500 -0.424 0.000 1.041 354 K HN 0.027 nan 8.250 nan 0.000 0.455 355 D N 0.915 121.251 120.400 -0.107 0.000 2.811 355 D HA -0.212 4.428 4.640 0.001 0.000 0.231 355 D C -0.874 175.450 176.300 0.040 0.000 1.157 355 D CA 0.886 54.899 54.000 0.022 0.000 0.716 355 D CB -1.173 39.738 40.800 0.185 0.000 1.077 355 D HN 0.436 nan 8.370 nan 0.000 0.428 356 N N -0.088 118.597 118.700 -0.025 0.000 2.408 356 N HA 0.274 5.014 4.740 0.001 0.000 0.257 356 N C 0.874 176.395 175.510 0.018 0.000 1.064 356 N CA -0.242 52.808 53.050 -0.000 0.000 0.952 356 N CB 1.524 39.984 38.487 -0.045 0.000 1.093 356 N HN 0.006 nan 8.380 nan 0.000 0.490 357 V N 4.762 124.699 119.914 0.038 0.000 2.231 357 V HA -0.182 3.938 4.120 0.001 0.000 0.240 357 V C 1.693 177.831 176.094 0.073 0.000 1.039 357 V CA 1.986 64.316 62.300 0.050 0.000 0.998 357 V CB -0.571 31.293 31.823 0.069 0.000 0.639 357 V HN 0.563 nan 8.190 nan 0.000 0.451 358 V N 0.727 120.699 119.914 0.097 0.000 2.418 358 V HA -0.352 3.769 4.120 0.001 0.000 0.258 358 V C 2.715 178.872 176.094 0.104 0.000 1.088 358 V CA 2.735 65.112 62.300 0.128 0.000 1.091 358 V CB -1.380 30.500 31.823 0.096 0.000 0.669 358 V HN 0.603 nan 8.190 nan 0.000 0.461 359 R N -0.674 119.860 120.500 0.057 0.000 2.307 359 R HA -0.037 4.303 4.340 0.001 0.000 0.199 359 R C 1.964 178.285 176.300 0.035 0.000 1.000 359 R CA 0.436 56.559 56.100 0.039 0.000 1.023 359 R CB 0.052 30.355 30.300 0.006 0.000 0.908 359 R HN 0.497 nan 8.270 nan 0.000 0.473 360 Q N 0.059 119.883 119.800 0.040 0.000 2.319 360 Q HA 0.163 4.503 4.340 0.001 0.000 0.202 360 Q C 0.224 176.245 176.000 0.034 0.000 0.896 360 Q CA 0.047 55.868 55.803 0.030 0.000 0.942 360 Q CB 0.613 29.366 28.738 0.025 0.000 1.083 360 Q HN 0.318 nan 8.270 nan 0.000 0.510 361 I N 2.146 122.746 120.570 0.050 0.000 2.648 361 I HA -0.052 4.119 4.170 0.001 0.000 0.284 361 I C 0.601 176.732 176.117 0.023 0.000 1.153 361 I CA 0.074 61.399 61.300 0.041 0.000 1.426 361 I CB 0.376 38.411 38.000 0.059 0.000 1.381 361 I HN -0.053 nan 8.210 nan 0.000 0.571 362 E N 5.667 125.872 120.200 0.008 0.000 2.493 362 E HA -0.057 4.293 4.350 0.001 0.000 0.255 362 E C 1.174 177.771 176.600 -0.004 0.000 0.999 362 E CA 0.136 56.536 56.400 0.001 0.000 0.934 362 E CB 0.468 30.165 29.700 -0.006 0.000 0.940 362 E HN 0.381 nan 8.360 nan 0.000 0.473 363 R N 2.761 123.262 120.500 0.002 0.000 2.224 363 R HA -0.392 3.948 4.340 0.001 0.000 0.255 363 R C 1.816 178.107 176.300 -0.014 0.000 1.130 363 R CA 2.477 58.578 56.100 0.002 0.000 0.957 363 R CB -0.176 30.125 30.300 0.002 0.000 0.907 363 R HN 0.631 nan 8.270 nan 0.000 0.446 364 Q N -0.592 119.196 119.800 -0.021 0.000 2.002 364 Q HA -0.140 4.201 4.340 0.001 0.000 0.204 364 Q C 2.166 178.129 176.000 -0.062 0.000 0.988 364 Q CA 2.020 57.803 55.803 -0.034 0.000 0.843 364 Q CB -0.212 28.509 28.738 -0.028 0.000 0.908 364 Q HN 0.214 nan 8.270 nan 0.000 0.420 365 V N 0.804 120.678 119.914 -0.066 0.000 2.453 365 V HA -0.352 3.769 4.120 0.001 0.000 0.252 365 V C 2.115 178.095 176.094 -0.190 0.000 1.068 365 V CA 2.032 64.269 62.300 -0.104 0.000 1.070 365 V CB -0.784 30.991 31.823 -0.080 0.000 0.664 365 V HN 0.383 nan 8.190 nan 0.000 0.461 366 Q N 0.007 119.709 119.800 -0.163 0.000 1.948 366 Q HA -0.300 4.040 4.340 0.001 0.000 0.205 366 Q C 2.372 178.201 176.000 -0.285 0.000 0.992 366 Q CA 2.232 57.886 55.803 -0.249 0.000 0.849 366 Q CB -0.326 28.401 28.738 -0.019 0.000 0.918 366 Q HN 0.694 nan 8.270 nan 0.000 0.421 367 E N 0.093 120.222 120.200 -0.118 0.000 2.217 367 E HA -0.282 4.069 4.350 0.001 0.000 0.219 367 E C 1.739 178.266 176.600 -0.121 0.000 1.070 367 E CA 1.863 58.216 56.400 -0.079 0.000 0.889 367 E CB -0.161 29.511 29.700 -0.046 0.000 0.768 367 E HN 0.221 nan 8.360 nan 0.000 0.465 368 L N -0.333 120.797 121.223 -0.154 0.000 2.131 368 L HA -0.027 4.314 4.340 0.001 0.000 0.206 368 L C 2.322 179.059 176.870 -0.222 0.000 1.087 368 L CA 1.190 55.942 54.840 -0.146 0.000 0.767 368 L CB -0.559 41.430 42.059 -0.116 0.000 0.917 368 L HN 0.212 nan 8.230 nan 0.000 0.441 369 A N 0.358 122.926 122.820 -0.420 0.000 1.842 369 A HA -0.117 4.203 4.320 0.001 0.000 0.217 369 A C 0.859 178.143 177.584 -0.501 0.000 1.206 369 A CA 1.311 52.964 52.037 -0.640 0.000 0.630 369 A CB -0.924 17.304 19.000 -1.286 0.000 0.839 369 A HN 0.237 nan 8.150 nan 0.000 0.447 370 F N -1.206 118.744 119.950 0.000 0.000 2.457 370 F HA 0.491 5.019 4.527 0.001 0.000 0.330 370 F C -2.029 173.770 175.800 -0.001 0.000 1.069 370 F CA -2.739 55.261 58.000 -0.001 0.000 1.009 370 F CB 0.515 39.516 39.000 0.000 0.000 1.276 370 F HN -0.037 nan 8.300 nan 0.000 0.492 371 P HA 0.216 nan 4.420 nan 0.000 0.237 371 P C -0.259 177.092 177.300 0.085 0.000 1.788 371 P CA 0.371 63.523 63.100 0.086 0.000 1.061 371 P CB 0.116 31.857 31.700 0.068 0.000 1.967 372 G N 0.298 109.147 108.800 0.083 0.000 3.100 372 G HA2 0.585 4.545 3.960 0.001 0.000 0.174 372 G HA3 0.585 4.545 3.960 0.001 0.000 0.174 372 G C -1.203 173.724 174.900 0.044 0.000 1.136 372 G CA -0.294 44.850 45.100 0.073 0.000 0.881 372 G HN 0.422 nan 8.290 nan 0.000 0.616 373 S N -1.833 113.895 115.700 0.048 0.000 2.537 373 S HA 0.565 5.036 4.470 0.001 0.000 0.271 373 S C 1.130 175.750 174.600 0.033 0.000 1.148 373 S CA 0.859 59.075 58.200 0.027 0.000 0.868 373 S CB 1.207 64.419 63.200 0.020 0.000 1.115 373 S HN 1.994 nan 8.310 nan 0.000 0.461 374 A N 2.778 125.610 122.820 0.020 0.000 1.906 374 A HA -0.293 4.027 4.320 0.001 0.000 0.222 374 A C 2.096 179.696 177.584 0.027 0.000 1.282 374 A CA 2.659 54.709 52.037 0.021 0.000 0.675 374 A CB -1.525 17.481 19.000 0.010 0.000 0.838 374 A HN 1.090 nan 8.150 nan 0.000 0.469 375 Q N -1.553 118.258 119.800 0.019 0.000 2.311 375 Q HA -0.136 4.205 4.340 0.001 0.000 0.203 375 Q C 0.922 176.934 176.000 0.019 0.000 0.954 375 Q CA 1.473 57.285 55.803 0.016 0.000 0.885 375 Q CB -0.169 28.575 28.738 0.010 0.000 0.963 375 Q HN 0.556 nan 8.270 nan 0.000 0.471 376 D N -0.695 119.720 120.400 0.025 0.000 2.349 376 D HA 0.021 4.661 4.640 0.001 0.000 0.224 376 D C 0.839 177.161 176.300 0.037 0.000 1.029 376 D CA 0.281 54.296 54.000 0.026 0.000 0.879 376 D CB 0.779 41.596 40.800 0.028 0.000 0.906 376 D HN 0.136 nan 8.370 nan 0.000 0.528 377 V N -0.631 119.312 119.914 0.048 0.000 3.431 377 V HA 0.033 4.153 4.120 0.001 0.000 0.255 377 V C 1.773 177.896 176.094 0.048 0.000 1.403 377 V CA -0.056 62.284 62.300 0.068 0.000 1.101 377 V CB 0.658 32.563 31.823 0.136 0.000 0.891 377 V HN 0.101 nan 8.190 nan 0.000 0.446 378 E N 1.543 121.764 120.200 0.036 0.000 2.338 378 E HA -0.233 4.117 4.350 0.001 0.000 0.197 378 E C 2.098 178.704 176.600 0.010 0.000 1.007 378 E CA 1.553 57.967 56.400 0.023 0.000 0.849 378 E CB 0.343 30.053 29.700 0.016 0.000 0.774 378 E HN 0.731 nan 8.360 nan 0.000 0.506 379 R N -0.102 120.403 120.500 0.009 0.000 2.119 379 R HA 0.052 4.392 4.340 0.001 0.000 0.202 379 R C 2.574 178.869 176.300 -0.009 0.000 1.114 379 R CA 0.220 56.319 56.100 -0.002 0.000 1.089 379 R CB -1.153 29.146 30.300 -0.001 0.000 1.000 379 R HN 0.064 nan 8.270 nan 0.000 0.487 380 L N 1.513 122.733 121.223 -0.006 0.000 2.030 380 L HA -0.213 4.127 4.340 0.001 0.000 0.222 380 L C 1.726 178.577 176.870 -0.032 0.000 1.082 380 L CA 2.160 56.989 54.840 -0.018 0.000 0.785 380 L CB -0.781 41.266 42.059 -0.019 0.000 0.895 380 L HN 0.475 nan 8.230 nan 0.000 0.439 381 L N -0.459 120.746 121.223 -0.030 0.000 2.313 381 L HA -0.057 4.283 4.340 0.001 0.000 0.214 381 L C 2.357 179.201 176.870 -0.044 0.000 1.119 381 L CA 0.466 55.281 54.840 -0.041 0.000 0.809 381 L CB -0.510 41.529 42.059 -0.034 0.000 0.933 381 L HN 0.129 nan 8.230 nan 0.000 0.449 382 K N 0.613 120.993 120.400 -0.034 0.000 2.487 382 K HA -0.047 4.273 4.320 0.001 0.000 0.192 382 K C 1.696 178.272 176.600 -0.041 0.000 1.027 382 K CA 0.545 56.809 56.287 -0.038 0.000 1.054 382 K CB 0.190 32.674 32.500 -0.027 0.000 0.824 382 K HN 0.241 nan 8.250 nan 0.000 0.510 383 K N 0.395 120.770 120.400 -0.041 0.000 2.103 383 K HA -0.121 4.199 4.320 0.001 0.000 0.204 383 K C 0.727 177.296 176.600 -0.051 0.000 1.052 383 K CA 0.688 56.951 56.287 -0.040 0.000 0.945 383 K CB 0.183 32.661 32.500 -0.036 0.000 0.722 383 K HN -0.094 nan 8.250 nan 0.000 0.443 384 Q N 1.292 121.053 119.800 -0.065 0.000 2.423 384 Q HA 0.048 4.388 4.340 0.001 0.000 0.235 384 Q C -0.487 175.453 176.000 -0.100 0.000 1.100 384 Q CA 0.056 55.808 55.803 -0.084 0.000 0.908 384 Q CB 0.860 29.542 28.738 -0.094 0.000 1.312 384 Q HN -0.115 nan 8.270 nan 0.000 0.497 385 R N 2.376 122.822 120.500 -0.089 0.000 2.547 385 R HA 0.198 4.538 4.340 0.001 0.000 0.258 385 R C -0.646 175.586 176.300 -0.113 0.000 1.115 385 R CA -0.005 56.040 56.100 -0.091 0.000 1.152 385 R CB -0.414 29.849 30.300 -0.061 0.000 1.221 385 R HN 0.593 nan 8.270 nan 0.000 0.539 386 E N -0.323 119.786 120.200 -0.151 0.000 2.227 386 E HA 0.296 4.646 4.350 0.001 0.000 0.268 386 E C -0.985 175.453 176.600 -0.271 0.000 0.907 386 E CA -0.493 55.799 56.400 -0.181 0.000 0.786 386 E CB 1.443 31.017 29.700 -0.210 0.000 1.191 386 E HN 0.040 nan 8.360 nan 0.000 0.411 387 S N 3.029 118.530 115.700 -0.332 0.000 2.503 387 S HA 0.443 4.914 4.470 0.001 0.000 0.301 387 S C 0.043 174.224 174.600 -0.699 0.000 1.087 387 S CA -0.002 57.800 58.200 -0.664 0.000 1.042 387 S CB 0.426 63.105 63.200 -0.867 0.000 1.043 387 S HN 0.802 nan 8.310 nan 0.000 0.489 388 Y N -0.001 119.816 120.300 -0.805 0.000 2.723 388 Y HA -0.339 4.212 4.550 0.001 0.000 0.485 388 Y C 0.167 175.606 175.900 -0.768 0.000 1.075 388 Y CA 2.027 59.403 58.100 -1.206 0.000 3.005 388 Y CB -1.430 36.264 38.460 -1.277 0.000 0.954 388 Y HN 0.665 nan 8.280 nan 0.000 0.570 389 F N 0.253 120.153 119.950 -0.083 0.000 2.508 389 F HA 0.627 5.154 4.527 0.001 0.000 0.325 389 F C 0.168 175.844 175.800 -0.206 0.000 1.090 389 F CA -0.858 57.119 58.000 -0.038 0.000 0.945 389 F CB 1.952 41.017 39.000 0.108 0.000 1.156 389 F HN -0.023 nan 8.300 nan 0.000 0.463 390 V N -1.363 118.508 119.914 -0.072 0.000 3.181 390 V HA 0.619 4.739 4.120 0.001 0.000 0.308 390 V C -1.216 174.601 176.094 -0.460 0.000 1.214 390 V CA -0.844 61.184 62.300 -0.454 0.000 1.053 390 V CB 2.015 33.674 31.823 -0.273 0.000 1.069 390 V HN 0.626 nan 8.190 nan 0.000 0.441 391 D N 0.629 120.647 120.400 -0.636 0.000 2.312 391 D HA 0.751 5.392 4.640 0.001 0.000 0.248 391 D C 0.037 176.311 176.300 -0.043 0.000 1.086 391 D CA 0.608 54.527 54.000 -0.135 0.000 0.948 391 D CB 2.061 42.925 40.800 0.107 0.000 1.162 391 D HN 1.144 nan 8.370 nan 0.000 0.446 392 A N 0.000 122.846 122.820 0.044 0.000 2.254 392 A HA 0.000 4.320 4.320 0.001 0.000 0.244 392 A CA 0.000 52.056 52.037 0.031 0.000 0.836 392 A CB 0.000 19.027 19.000 0.045 0.000 0.831 392 A HN 0.000 nan 8.150 nan 0.000 0.486