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 1t8m_1_C DATA FIRST_RESID 1 DATA SEQUENCE cGVPAIQPVL SXXXXIVNGE EAVPGSWPWQ VSLQDKTGFH FcGGSLINEN DATA SEQUENCE WVVTAAHcGV TTSDVVVAGE FDQGSSSEKI QKLKIAKVFK NSKYNSLTIN DATA SEQUENCE NDITLLKLST AASFSQTVSA VcLPSASDDF AAGTTcVTTG WGLTRYXXAN DATA SEQUENCE TPDRLQQASL PLLSNTNcKK YWGTKIKDAM IcAGASGVSS cMGDSGGPLV DATA SEQUENCE cKKNGAWTLV GIVSWGSSTc STSTPGVYAR VTALVNWVQQ TLAAN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 c HA 0.000 nan 4.570 nan 0.000 0.325 1 c C 0.000 174.161 174.090 0.118 0.000 1.270 1 c CA 0.000 56.410 56.329 0.135 0.000 1.963 1 c CB 0.000 42.558 42.510 0.079 0.000 2.134 2 G N 0.219 109.078 108.800 0.098 0.000 2.175 2 G HA2 -0.090 3.874 3.960 0.005 0.000 0.265 2 G HA3 -0.090 3.874 3.960 0.005 0.000 0.265 2 G C -0.145 175.007 174.900 0.421 0.000 0.979 2 G CA 0.571 45.758 45.100 0.146 0.000 0.663 2 G HN 2.045 nan 8.290 nan 0.000 0.533 3 V N 1.392 121.532 119.914 0.377 0.000 2.327 3 V HA 0.361 4.484 4.120 0.005 0.000 0.272 3 V C -1.763 174.482 176.094 0.252 0.000 1.019 3 V CA -1.536 60.950 62.300 0.309 0.000 0.814 3 V CB 1.487 33.411 31.823 0.170 0.000 1.040 3 V HN 0.144 nan 8.190 nan 0.000 0.440 4 P HA 0.196 nan 4.420 nan 0.000 0.265 4 P C 0.931 178.215 177.300 -0.026 0.000 1.193 4 P CA 0.077 63.178 63.100 0.000 0.000 0.765 4 P CB 1.156 32.719 31.700 -0.227 0.000 0.823 5 A N 3.855 126.643 122.820 -0.053 0.000 1.930 5 A HA -0.043 4.280 4.320 0.005 0.000 0.217 5 A C 0.996 178.529 177.584 -0.085 0.000 1.175 5 A CA 1.014 53.024 52.037 -0.045 0.000 0.627 5 A CB -0.659 18.316 19.000 -0.042 0.000 0.815 5 A HN 0.565 nan 8.150 nan 0.000 0.443 6 I N 0.758 121.240 120.570 -0.148 0.000 2.307 6 I HA 0.125 4.298 4.170 0.005 0.000 0.287 6 I C 0.185 176.156 176.117 -0.244 0.000 1.054 6 I CA -0.324 60.864 61.300 -0.187 0.000 1.218 6 I CB 1.070 38.933 38.000 -0.229 0.000 1.398 6 I HN 0.346 nan 8.210 nan 0.000 0.475 7 Q N 8.804 128.499 119.800 -0.175 0.000 2.274 7 Q HA 0.141 4.484 4.340 0.005 0.000 0.280 7 Q C -2.095 173.740 176.000 -0.274 0.000 1.047 7 Q CA -1.252 54.449 55.803 -0.171 0.000 0.907 7 Q CB 0.767 29.460 28.738 -0.076 0.000 1.171 7 Q HN 0.331 nan 8.270 nan 0.000 0.381 8 P HA 0.040 nan 4.420 nan 0.000 0.275 8 P C -1.120 176.062 177.300 -0.197 0.000 1.228 8 P CA -0.184 62.592 63.100 -0.540 0.000 0.786 8 P CB 0.975 31.973 31.700 -1.171 0.000 0.927 9 V N 4.133 123.970 119.914 -0.129 0.000 2.334 9 V HA 0.269 4.392 4.120 0.005 0.000 0.281 9 V C 0.636 176.757 176.094 0.045 0.000 1.016 9 V CA -0.560 61.725 62.300 -0.025 0.000 0.832 9 V CB 0.933 32.733 31.823 -0.038 0.000 0.999 9 V HN 0.390 nan 8.190 nan 0.000 0.439 10 L N 3.557 124.835 121.223 0.092 0.000 2.416 10 L HA 0.785 5.128 4.340 0.005 0.000 0.262 10 L C 0.378 177.295 176.870 0.079 0.000 1.093 10 L CA -0.018 54.895 54.840 0.122 0.000 0.801 10 L CB 1.711 43.877 42.059 0.178 0.000 1.191 10 L HN 0.673 nan 8.230 nan 0.000 0.459 17 V N 5.815 125.737 119.914 0.013 0.000 2.498 17 V HA 0.289 4.412 4.120 0.005 0.000 0.279 17 V C 0.891 176.990 176.094 0.009 0.000 1.048 17 V CA 0.020 62.333 62.300 0.021 0.000 0.967 17 V CB 1.190 33.036 31.823 0.038 0.000 0.988 17 V HN 0.972 nan 8.190 nan 0.000 0.473 18 N N 2.858 121.563 118.700 0.009 0.000 2.741 18 N HA -0.146 4.597 4.740 0.005 0.000 0.250 18 N C 0.306 175.815 175.510 -0.002 0.000 1.115 18 N CA 1.080 54.133 53.050 0.005 0.000 0.724 18 N CB -0.912 37.579 38.487 0.007 0.000 1.090 18 N HN 0.992 nan 8.380 nan 0.000 0.558 19 G N -0.694 108.099 108.800 -0.011 0.000 2.641 19 G HA2 0.595 4.558 3.960 0.005 0.000 0.239 19 G HA3 0.595 4.558 3.960 0.005 0.000 0.239 19 G C -0.396 174.497 174.900 -0.011 0.000 1.402 19 G CA 0.113 45.201 45.100 -0.020 0.000 1.046 19 G HN 0.433 nan 8.290 nan 0.000 0.565 20 E N -0.604 119.590 120.200 -0.011 0.000 2.416 20 E HA 0.314 4.667 4.350 0.005 0.000 0.273 20 E C -1.139 175.468 176.600 0.012 0.000 0.935 20 E CA -0.832 55.572 56.400 0.007 0.000 0.784 20 E CB 1.664 31.377 29.700 0.022 0.000 1.301 20 E HN 0.482 nan 8.360 nan 0.000 0.454 21 E N 0.618 120.838 120.200 0.035 0.000 2.376 21 E HA 0.363 4.716 4.350 0.005 0.000 0.266 21 E C -0.572 176.098 176.600 0.117 0.000 1.009 21 E CA -0.219 56.225 56.400 0.074 0.000 0.902 21 E CB 0.704 30.468 29.700 0.108 0.000 0.972 21 E HN 0.554 nan 8.360 nan 0.000 0.439 22 A N 3.698 126.622 122.820 0.173 0.000 2.332 22 A HA 0.265 4.588 4.320 0.005 0.000 0.258 22 A C -0.274 177.363 177.584 0.088 0.000 1.087 22 A CA -0.660 51.490 52.037 0.189 0.000 0.802 22 A CB 0.867 20.052 19.000 0.308 0.000 1.042 22 A HN 0.522 nan 8.150 nan 0.000 0.489 23 V N 3.019 122.877 119.914 -0.093 0.000 2.585 23 V HA 0.114 4.237 4.120 0.005 0.000 0.296 23 V C -2.012 173.835 176.094 -0.413 0.000 1.035 23 V CA -0.694 61.457 62.300 -0.249 0.000 1.084 23 V CB 0.573 32.238 31.823 -0.264 0.000 0.953 23 V HN 0.733 nan 8.190 nan 0.000 0.483 24 P HA 0.136 nan 4.420 nan 0.000 0.258 24 P C 0.908 177.932 177.300 -0.460 0.000 1.187 24 P CA 1.516 64.010 63.100 -1.011 0.000 0.767 24 P CB 0.261 31.264 31.700 -1.161 0.000 0.770 25 G N 3.093 111.728 108.800 -0.275 0.000 2.179 25 G HA2 -0.309 3.654 3.960 0.005 0.000 0.260 25 G HA3 -0.309 3.654 3.960 0.005 0.000 0.260 25 G C 1.070 175.760 174.900 -0.350 0.000 0.977 25 G CA 0.497 45.461 45.100 -0.226 0.000 0.641 25 G HN 0.581 nan 8.290 nan 0.000 0.533 26 S N -1.673 113.731 115.700 -0.494 0.000 2.607 26 S HA 0.189 4.662 4.470 0.005 0.000 0.224 26 S C 0.632 174.492 174.600 -1.232 0.000 0.969 26 S CA 0.634 58.355 58.200 -0.798 0.000 0.927 26 S CB -0.305 62.362 63.200 -0.888 0.000 0.772 26 S HN 0.654 nan 8.310 nan 0.000 0.533 27 W N 2.042 122.969 121.300 -0.621 0.000 1.683 27 W HA 0.409 5.072 4.660 0.005 0.000 0.295 27 W C -2.058 173.854 176.519 -1.013 0.000 0.865 27 W CA -2.125 54.576 57.345 -1.073 0.000 2.079 27 W CB 1.019 29.991 29.460 -0.814 0.000 2.263 27 W HN 0.066 nan 8.180 nan 0.000 0.427 28 P HA -0.226 nan 4.420 nan 0.000 0.222 28 P C 0.851 178.021 177.300 -0.215 0.000 1.142 28 P CA 1.831 64.705 63.100 -0.378 0.000 0.788 28 P CB 0.038 31.571 31.700 -0.279 0.000 0.767 29 W N -0.205 121.093 121.300 -0.004 0.000 3.003 29 W HA 0.330 4.993 4.660 0.005 0.000 0.257 29 W C 0.799 177.341 176.519 0.039 0.000 1.308 29 W CA -0.482 56.861 57.345 -0.005 0.000 1.529 29 W CB -1.513 27.957 29.460 0.018 0.000 1.115 29 W HN -0.139 nan 8.180 nan 0.000 0.659 30 Q N 2.998 122.780 119.800 -0.031 0.000 2.271 30 Q HA 0.298 4.641 4.340 0.005 0.000 0.273 30 Q C -0.197 175.912 176.000 0.181 0.000 1.051 30 Q CA -0.053 55.793 55.803 0.072 0.000 0.901 30 Q CB 0.894 29.566 28.738 -0.110 0.000 1.174 30 Q HN 0.252 nan 8.270 nan 0.000 0.385 31 V N 0.844 120.896 119.914 0.230 0.000 3.046 31 V HA 0.814 4.937 4.120 0.005 0.000 0.316 31 V C -0.588 175.671 176.094 0.276 0.000 1.104 31 V CA -0.848 61.587 62.300 0.225 0.000 1.006 31 V CB 2.020 33.924 31.823 0.136 0.000 1.058 31 V HN 0.697 nan 8.190 nan 0.000 0.440 32 S N 2.153 117.935 115.700 0.137 0.000 2.449 32 S HA 0.695 5.168 4.470 0.005 0.000 0.310 32 S C -0.688 173.827 174.600 -0.141 0.000 1.096 32 S CA -0.707 57.516 58.200 0.038 0.000 1.095 32 S CB 0.406 63.482 63.200 -0.208 0.000 1.007 32 S HN 0.740 nan 8.310 nan 0.000 0.474 33 L N 5.159 126.150 121.223 -0.386 0.000 2.264 33 L HA 0.507 4.850 4.340 0.005 0.000 0.289 33 L C 0.164 176.587 176.870 -0.745 0.000 1.044 33 L CA -0.396 54.099 54.840 -0.575 0.000 0.807 33 L CB 1.113 42.666 42.059 -0.844 0.000 1.192 33 L HN 0.653 nan 8.230 nan 0.000 0.425 34 Q N 1.398 121.072 119.800 -0.210 0.000 2.433 34 Q HA 0.335 4.678 4.340 0.005 0.000 0.279 34 Q C -1.168 175.044 176.000 0.354 0.000 1.105 34 Q CA -1.078 54.774 55.803 0.081 0.000 0.815 34 Q CB 2.740 31.485 28.738 0.013 0.000 1.403 34 Q HN 0.626 nan 8.270 nan 0.000 0.435 35 D N -0.154 120.480 120.400 0.391 0.000 2.433 35 D HA 0.007 4.650 4.640 0.005 0.000 0.255 35 D C 0.627 177.012 176.300 0.142 0.000 1.226 35 D CA -0.479 53.662 54.000 0.234 0.000 1.015 35 D CB 0.586 41.475 40.800 0.148 0.000 1.091 35 D HN 0.587 nan 8.370 nan 0.000 0.527 36 K N -1.539 118.911 120.400 0.082 0.000 2.360 36 K HA -0.161 4.162 4.320 0.005 0.000 0.201 36 K C 1.325 177.957 176.600 0.054 0.000 1.046 36 K CA 1.610 57.929 56.287 0.054 0.000 0.940 36 K CB -0.761 31.756 32.500 0.028 0.000 0.748 36 K HN 0.548 nan 8.250 nan 0.000 0.465 37 T N -3.688 110.911 114.554 0.074 0.000 3.081 37 T HA 0.272 4.625 4.350 0.005 0.000 0.250 37 T C 1.357 176.110 174.700 0.088 0.000 1.100 37 T CA 0.280 62.422 62.100 0.070 0.000 1.038 37 T CB 0.381 69.291 68.868 0.070 0.000 0.962 37 T HN 0.465 nan 8.240 nan 0.000 0.516 38 G N 0.925 109.789 108.800 0.107 0.000 2.148 38 G HA2 -0.175 3.788 3.960 0.005 0.000 0.203 38 G HA3 -0.175 3.788 3.960 0.005 0.000 0.203 38 G C -0.234 174.730 174.900 0.106 0.000 0.993 38 G CA -0.243 44.901 45.100 0.074 0.000 0.661 38 G HN 0.604 nan 8.290 nan 0.000 0.518 39 F N 2.890 122.871 119.950 0.052 0.000 2.471 39 F HA 0.583 5.112 4.527 0.004 0.000 0.365 39 F C 0.907 176.790 175.800 0.139 0.000 1.095 39 F CA -0.912 57.138 58.000 0.083 0.000 1.174 39 F CB 0.317 39.367 39.000 0.084 0.000 1.105 39 F HN 0.305 nan 8.300 nan 0.000 0.535 40 H N 7.052 125.784 119.070 -0.564 0.000 2.899 40 H HA 0.156 4.715 4.556 0.005 0.000 0.303 40 H C 0.139 175.253 175.328 -0.356 0.000 1.042 40 H CA 0.276 56.056 56.048 -0.446 0.000 1.479 40 H CB 0.295 29.765 29.762 -0.486 0.000 1.493 40 H HN 0.619 nan 8.280 nan 0.000 0.534 41 F N 1.294 120.911 119.950 -0.556 0.000 2.784 41 F HA 0.442 4.971 4.527 0.004 0.000 0.323 41 F C -0.366 175.255 175.800 -0.299 0.000 1.085 41 F CA -0.711 57.148 58.000 -0.235 0.000 1.196 41 F CB -0.025 39.002 39.000 0.045 0.000 1.053 41 F HN 0.429 nan 8.300 nan 0.000 0.578 42 c N 0.273 118.245 118.600 -1.047 0.000 3.292 42 c HA 0.740 5.313 4.570 0.005 0.000 0.338 42 c C 0.521 174.327 174.090 -0.473 0.000 1.323 42 c CA -0.589 55.407 56.329 -0.554 0.000 1.232 42 c CB 1.182 43.465 42.510 -0.379 0.000 1.517 42 c HN 0.684 nan 8.230 nan 0.000 0.470 43 G N -0.207 108.542 108.800 -0.085 0.000 2.601 43 G HA2 0.847 4.810 3.960 0.005 0.000 0.317 43 G HA3 0.847 4.810 3.960 0.005 0.000 0.317 43 G C -0.355 174.557 174.900 0.020 0.000 1.246 43 G CA 0.158 45.310 45.100 0.086 0.000 1.012 43 G HN 1.465 nan 8.290 nan 0.000 0.494 44 G N -1.797 107.056 108.800 0.088 0.000 2.559 44 G HA2 0.536 4.499 3.960 0.005 0.000 0.291 44 G HA3 0.536 4.499 3.960 0.005 0.000 0.291 44 G C -1.430 173.561 174.900 0.152 0.000 1.424 44 G CA -0.300 44.854 45.100 0.090 0.000 0.786 44 G HN 0.908 nan 8.290 nan 0.000 0.485 45 S N -0.380 115.419 115.700 0.165 0.000 2.614 45 S HA 0.513 4.986 4.470 0.005 0.000 0.288 45 S C -0.334 174.392 174.600 0.210 0.000 1.137 45 S CA -0.512 57.824 58.200 0.227 0.000 0.992 45 S CB 1.456 64.762 63.200 0.177 0.000 1.026 45 S HN 0.573 nan 8.310 nan 0.000 0.486 46 L N 3.789 125.163 121.223 0.253 0.000 2.410 46 L HA 0.323 4.666 4.340 0.005 0.000 0.273 46 L C 1.259 178.265 176.870 0.228 0.000 1.152 46 L CA 0.006 54.993 54.840 0.245 0.000 0.855 46 L CB 0.360 42.558 42.059 0.232 0.000 1.129 46 L HN 0.787 nan 8.230 nan 0.000 0.463 47 I N -0.519 120.191 120.570 0.234 0.000 4.070 47 I HA 0.298 4.471 4.170 0.005 0.000 0.328 47 I C 0.100 176.354 176.117 0.229 0.000 1.298 47 I CA -0.187 61.215 61.300 0.170 0.000 1.173 47 I CB 0.251 38.314 38.000 0.104 0.000 1.051 47 I HN 0.742 nan 8.210 nan 0.000 0.409 48 N N 0.106 119.012 118.700 0.342 0.000 0.000 48 N HA 0.011 4.754 4.740 0.005 0.000 0.000 48 N C 0.362 176.110 175.510 0.396 0.000 0.000 48 N CA -0.199 53.062 53.050 0.351 0.000 0.000 48 N CB 0.270 38.870 38.487 0.187 0.000 0.000 48 N HN 0.036 nan 8.380 nan 0.000 0.000 49 E N -0.394 119.845 120.200 0.065 0.000 2.333 49 E HA -0.139 4.214 4.350 0.005 0.000 0.198 49 E C -0.382 176.290 176.600 0.120 0.000 1.007 49 E CA 1.230 57.645 56.400 0.025 0.000 0.845 49 E CB -0.397 29.110 29.700 -0.322 0.000 0.766 49 E HN 0.582 nan 8.360 nan 0.000 0.507 50 N N -0.807 117.981 118.700 0.146 0.000 2.171 50 N HA 0.083 4.827 4.740 0.005 0.000 0.212 50 N C -0.890 174.525 175.510 -0.157 0.000 1.184 50 N CA 0.067 53.119 53.050 0.004 0.000 0.888 50 N CB 0.437 38.905 38.487 -0.032 0.000 1.038 50 N HN 0.089 nan 8.380 nan 0.000 0.517 51 W N 0.593 121.935 121.300 0.071 0.000 2.915 51 W HA 0.563 5.226 4.660 0.005 0.000 0.337 51 W C -0.585 175.990 176.519 0.094 0.000 1.102 51 W CA -0.564 56.818 57.345 0.062 0.000 1.224 51 W CB 1.311 30.775 29.460 0.007 0.000 1.416 51 W HN -0.434 nan 8.180 nan 0.000 0.503 52 V N 3.317 123.423 119.914 0.321 0.000 2.604 52 V HA 0.554 4.677 4.120 0.005 0.000 0.305 52 V C -0.886 175.357 176.094 0.248 0.000 1.043 52 V CA -1.183 61.260 62.300 0.239 0.000 0.888 52 V CB 1.819 33.740 31.823 0.163 0.000 0.995 52 V HN 0.338 nan 8.190 nan 0.000 0.429 53 V N 4.445 124.479 119.914 0.201 0.000 2.483 53 V HA 0.844 4.967 4.120 0.005 0.000 0.295 53 V C 0.006 176.184 176.094 0.140 0.000 1.035 53 V CA 0.515 62.929 62.300 0.190 0.000 0.896 53 V CB 1.955 33.874 31.823 0.160 0.000 0.986 53 V HN 1.107 nan 8.190 nan 0.000 0.447 54 T N 4.286 118.915 114.554 0.125 0.000 2.618 54 T HA 0.763 5.116 4.350 0.005 0.000 0.293 54 T C -0.660 174.050 174.700 0.015 0.000 1.093 54 T CA 0.131 62.265 62.100 0.057 0.000 1.061 54 T CB 1.544 70.428 68.868 0.027 0.000 1.498 54 T HN 1.206 nan 8.240 nan 0.000 0.494 55 A N 0.302 123.074 122.820 -0.080 0.000 2.304 55 A HA 0.748 5.071 4.320 0.005 0.000 0.301 55 A C 1.391 178.813 177.584 -0.269 0.000 1.132 55 A CA 0.234 52.168 52.037 -0.172 0.000 0.819 55 A CB 0.393 19.204 19.000 -0.314 0.000 1.094 55 A HN 1.160 nan 8.150 nan 0.000 0.492 56 A N 0.781 123.396 122.820 -0.342 0.000 1.968 56 A HA -0.095 4.228 4.320 0.005 0.000 0.217 56 A C 1.730 178.994 177.584 -0.533 0.000 1.169 56 A CA 1.587 53.319 52.037 -0.509 0.000 0.638 56 A CB -0.933 17.518 19.000 -0.914 0.000 0.812 56 A HN 1.061 nan 8.150 nan 0.000 0.446 57 H N -1.852 116.960 119.070 -0.430 0.000 2.545 57 H HA -0.046 4.513 4.556 0.005 0.000 0.282 57 H C 1.653 176.965 175.328 -0.027 0.000 1.020 57 H CA 1.232 57.179 56.048 -0.168 0.000 1.243 57 H CB -0.798 28.965 29.762 0.002 0.000 1.377 57 H HN 0.400 nan 8.280 nan 0.000 0.581 58 c N 1.118 119.490 118.600 -0.380 0.000 2.437 58 c HA 0.113 4.686 4.570 0.005 0.000 0.283 58 c C 2.032 176.157 174.090 0.059 0.000 1.424 58 c CA 0.912 57.198 56.329 -0.073 0.000 1.782 58 c CB -1.249 41.241 42.510 -0.033 0.000 1.833 58 c HN 0.917 nan 8.230 nan 0.000 0.532 59 G N 1.022 109.811 108.800 -0.018 0.000 2.305 59 G HA2 -0.225 3.738 3.960 0.005 0.000 0.287 59 G HA3 -0.225 3.738 3.960 0.005 0.000 0.287 59 G C 0.085 174.976 174.900 -0.016 0.000 1.036 59 G CA 0.363 45.449 45.100 -0.024 0.000 0.887 59 G HN 0.440 nan 8.290 nan 0.000 0.505 60 V N 0.738 120.701 119.914 0.082 0.000 2.763 60 V HA 0.511 4.634 4.120 0.005 0.000 0.306 60 V C 1.208 177.335 176.094 0.054 0.000 1.059 60 V CA 0.870 63.255 62.300 0.143 0.000 1.138 60 V CB 1.023 32.966 31.823 0.200 0.000 0.940 60 V HN 0.985 nan 8.190 nan 0.000 0.489 61 T N -0.484 114.095 114.554 0.041 0.000 2.888 61 T HA 0.332 4.685 4.350 0.005 0.000 0.288 61 T C 0.911 175.623 174.700 0.021 0.000 1.063 61 T CA 0.082 62.187 62.100 0.007 0.000 1.010 61 T CB 1.603 70.456 68.868 -0.025 0.000 1.214 61 T HN 0.757 nan 8.240 nan 0.000 0.533 62 T N -1.288 113.265 114.554 -0.001 0.000 3.163 62 T HA 0.042 4.395 4.350 0.005 0.000 0.260 62 T C 1.583 176.287 174.700 0.006 0.000 1.156 62 T CA 0.731 62.830 62.100 -0.002 0.000 1.072 62 T CB -0.626 68.230 68.868 -0.020 0.000 0.937 62 T HN 0.462 nan 8.240 nan 0.000 0.528 63 S N 1.019 116.723 115.700 0.008 0.000 2.503 63 S HA 0.113 4.586 4.470 0.005 0.000 0.217 63 S C 0.525 175.148 174.600 0.037 0.000 0.999 63 S CA -0.185 58.022 58.200 0.010 0.000 0.914 63 S CB -0.002 63.194 63.200 -0.007 0.000 0.782 63 S HN 0.589 nan 8.310 nan 0.000 0.520 64 D N 1.558 121.999 120.400 0.068 0.000 2.383 64 D HA 0.426 5.069 4.640 0.005 0.000 0.248 64 D C 0.127 176.490 176.300 0.104 0.000 1.170 64 D CA -0.139 53.945 54.000 0.140 0.000 0.977 64 D CB 1.429 42.395 40.800 0.277 0.000 1.120 64 D HN 0.152 nan 8.370 nan 0.000 0.481 65 V N -2.477 117.500 119.914 0.104 0.000 2.962 65 V HA 0.608 4.731 4.120 0.005 0.000 0.313 65 V C -0.469 175.637 176.094 0.021 0.000 1.099 65 V CA -0.920 61.410 62.300 0.050 0.000 0.971 65 V CB 1.830 33.674 31.823 0.036 0.000 1.028 65 V HN 0.203 nan 8.190 nan 0.000 0.430 66 V N 3.452 123.375 119.914 0.015 0.000 2.370 66 V HA 0.474 4.597 4.120 0.005 0.000 0.279 66 V C -0.066 176.033 176.094 0.008 0.000 1.029 66 V CA -0.343 61.962 62.300 0.007 0.000 0.870 66 V CB 1.503 33.345 31.823 0.031 0.000 0.984 66 V HN 0.766 nan 8.190 nan 0.000 0.451 67 V N 5.157 125.066 119.914 -0.008 0.000 2.334 67 V HA 0.750 4.874 4.120 0.005 0.000 0.281 67 V C 0.434 176.544 176.094 0.027 0.000 1.016 67 V CA -0.347 61.946 62.300 -0.011 0.000 0.832 67 V CB 1.312 33.095 31.823 -0.068 0.000 0.999 67 V HN 0.967 nan 8.190 nan 0.000 0.439 68 A N 3.376 126.224 122.820 0.047 0.000 2.311 68 A HA 0.813 5.136 4.320 0.005 0.000 0.334 68 A C 1.095 178.718 177.584 0.065 0.000 1.139 68 A CA -0.002 52.078 52.037 0.072 0.000 0.830 68 A CB 1.120 20.165 19.000 0.075 0.000 1.234 68 A HN 1.999 nan 8.150 nan 0.000 0.483 69 G N -0.236 108.607 108.800 0.071 0.000 2.160 69 G HA2 -0.209 3.754 3.960 0.005 0.000 0.251 69 G HA3 -0.209 3.754 3.960 0.005 0.000 0.251 69 G C 0.048 175.012 174.900 0.105 0.000 1.008 69 G CA 0.759 45.896 45.100 0.062 0.000 0.724 69 G HN 1.065 nan 8.290 nan 0.000 0.514 70 E N -1.373 118.927 120.200 0.166 0.000 2.242 70 E HA 0.721 5.074 4.350 0.005 0.000 0.275 70 E C 0.564 177.429 176.600 0.443 0.000 1.002 70 E CA -0.998 55.521 56.400 0.198 0.000 0.841 70 E CB 0.647 30.357 29.700 0.017 0.000 1.109 70 E HN 0.242 nan 8.360 nan 0.000 0.394 71 F N 2.324 122.414 119.950 0.233 0.000 2.347 71 F HA 0.281 4.812 4.527 0.006 0.000 0.266 71 F C -0.177 175.819 175.800 0.327 0.000 0.884 71 F CA -0.116 58.051 58.000 0.278 0.000 1.123 71 F CB 0.631 39.693 39.000 0.103 0.000 1.098 71 F HN 0.408 nan 8.300 nan 0.000 0.803 72 D N 1.477 121.846 120.400 -0.051 0.000 2.427 72 D HA 0.185 4.829 4.640 0.005 0.000 0.226 72 D C 0.336 176.552 176.300 -0.141 0.000 1.076 72 D CA 0.007 53.891 54.000 -0.193 0.000 0.849 72 D CB 1.479 42.250 40.800 -0.047 0.000 1.052 72 D HN 0.429 nan 8.370 nan 0.000 0.515 73 Q N 1.825 121.472 119.800 -0.256 0.000 2.488 73 Q HA 0.022 4.365 4.340 0.005 0.000 0.211 73 Q C 1.538 177.422 176.000 -0.192 0.000 0.967 73 Q CA 0.565 56.173 55.803 -0.324 0.000 0.926 73 Q CB 0.463 28.867 28.738 -0.557 0.000 0.992 73 Q HN 0.521 nan 8.270 nan 0.000 0.506 74 G N 0.346 109.064 108.800 -0.136 0.000 2.838 74 G HA2 -0.053 3.910 3.960 0.005 0.000 0.210 74 G HA3 -0.053 3.910 3.960 0.005 0.000 0.210 74 G C 0.400 175.269 174.900 -0.051 0.000 1.153 74 G CA -0.161 44.889 45.100 -0.084 0.000 0.778 74 G HN 0.149 nan 8.290 nan 0.000 0.539 75 S N 0.618 116.293 115.700 -0.043 0.000 2.430 75 S HA 0.359 4.832 4.470 0.005 0.000 0.289 75 S C 1.652 176.242 174.600 -0.018 0.000 1.143 75 S CA 0.176 58.369 58.200 -0.012 0.000 1.067 75 S CB 1.066 64.279 63.200 0.022 0.000 0.964 75 S HN 0.304 nan 8.310 nan 0.000 0.485 76 S N 3.376 119.068 115.700 -0.013 0.000 2.496 76 S HA -0.050 4.423 4.470 0.005 0.000 0.224 76 S C 1.685 176.283 174.600 -0.004 0.000 0.996 76 S CA 0.669 58.861 58.200 -0.013 0.000 0.927 76 S CB -0.330 62.864 63.200 -0.011 0.000 0.774 76 S HN 0.812 nan 8.310 nan 0.000 0.524 77 S N 0.587 116.290 115.700 0.004 0.000 2.501 77 S HA 0.143 4.617 4.470 0.005 0.000 0.220 77 S C 0.533 175.142 174.600 0.014 0.000 0.997 77 S CA -0.346 57.859 58.200 0.008 0.000 0.919 77 S CB -0.546 62.660 63.200 0.010 0.000 0.778 77 S HN 0.637 nan 8.310 nan 0.000 0.523 78 E N 2.183 122.395 120.200 0.020 0.000 2.452 78 E HA 0.004 4.357 4.350 0.005 0.000 0.261 78 E C -0.603 176.011 176.600 0.024 0.000 0.987 78 E CA -0.012 56.407 56.400 0.033 0.000 0.926 78 E CB 0.419 30.149 29.700 0.051 0.000 0.934 78 E HN 0.082 nan 8.360 nan 0.000 0.452 79 K N 5.307 125.723 120.400 0.027 0.000 2.312 79 K HA 0.292 4.615 4.320 0.005 0.000 0.287 79 K C 0.145 176.761 176.600 0.027 0.000 1.062 79 K CA -0.039 56.261 56.287 0.022 0.000 0.934 79 K CB 0.070 32.581 32.500 0.019 0.000 1.027 79 K HN 0.469 nan 8.250 nan 0.000 0.478 80 I N -1.498 119.085 120.570 0.021 0.000 3.279 80 I HA 0.359 4.532 4.170 0.005 0.000 0.315 80 I C -1.026 175.105 176.117 0.023 0.000 1.187 80 I CA -1.220 60.094 61.300 0.023 0.000 0.953 80 I CB 2.169 40.174 38.000 0.009 0.000 1.279 80 I HN 0.255 nan 8.210 nan 0.000 0.465 81 Q N 2.062 121.879 119.800 0.029 0.000 2.341 81 Q HA 0.441 4.784 4.340 0.005 0.000 0.268 81 Q C -1.404 174.611 176.000 0.026 0.000 1.013 81 Q CA -0.741 55.081 55.803 0.033 0.000 0.798 81 Q CB 2.442 31.211 28.738 0.052 0.000 1.253 81 Q HN 0.422 nan 8.270 nan 0.000 0.457 82 K N 3.661 124.071 120.400 0.018 0.000 2.268 82 K HA 0.366 4.689 4.320 0.005 0.000 0.276 82 K C -0.754 175.857 176.600 0.018 0.000 1.080 82 K CA -0.185 56.110 56.287 0.013 0.000 0.910 82 K CB 0.666 33.170 32.500 0.007 0.000 1.163 82 K HN 0.384 nan 8.250 nan 0.000 0.465 83 L N 3.525 124.761 121.223 0.022 0.000 2.282 83 L HA 0.369 4.712 4.340 0.005 0.000 0.288 83 L C 0.220 177.098 176.870 0.014 0.000 1.033 83 L CA -0.833 54.020 54.840 0.021 0.000 0.807 83 L CB 1.101 43.179 42.059 0.031 0.000 1.209 83 L HN 0.346 nan 8.230 nan 0.000 0.423 84 K N 3.174 123.578 120.400 0.006 0.000 2.202 84 K HA 0.485 4.808 4.320 0.005 0.000 0.264 84 K C -0.591 176.004 176.600 -0.009 0.000 1.010 84 K CA -0.398 55.891 56.287 0.003 0.000 0.940 84 K CB 1.342 33.842 32.500 -0.001 0.000 0.983 84 K HN 0.445 nan 8.250 nan 0.000 0.475 85 I N 2.253 122.819 120.570 -0.005 0.000 2.315 85 I HA 0.072 4.245 4.170 0.005 0.000 0.291 85 I C 0.937 177.034 176.117 -0.032 0.000 1.006 85 I CA -0.098 61.191 61.300 -0.018 0.000 1.265 85 I CB 1.670 39.675 38.000 0.008 0.000 1.387 85 I HN 0.786 nan 8.210 nan 0.000 0.475 86 A N 6.220 129.004 122.820 -0.059 0.000 1.903 86 A HA 0.089 4.412 4.320 0.005 0.000 0.213 86 A C 0.940 178.491 177.584 -0.054 0.000 1.185 86 A CA 1.094 53.098 52.037 -0.055 0.000 0.628 86 A CB 0.205 19.162 19.000 -0.072 0.000 0.830 86 A HN 0.698 nan 8.150 nan 0.000 0.446 87 K N -1.191 119.175 120.400 -0.056 0.000 2.546 87 K HA 0.534 4.858 4.320 0.005 0.000 0.264 87 K C -2.074 174.485 176.600 -0.068 0.000 0.937 87 K CA -0.549 55.678 56.287 -0.100 0.000 0.833 87 K CB 2.299 34.721 32.500 -0.130 0.000 1.378 87 K HN -0.034 nan 8.250 nan 0.000 0.432 88 V N 3.917 123.730 119.914 -0.169 0.000 2.398 88 V HA 0.486 4.609 4.120 0.005 0.000 0.286 88 V C -1.050 174.954 176.094 -0.150 0.000 1.026 88 V CA -0.577 61.709 62.300 -0.024 0.000 0.868 88 V CB 0.966 32.791 31.823 0.003 0.000 0.982 88 V HN 0.562 nan 8.190 nan 0.000 0.443 89 F N 3.831 123.912 119.950 0.219 0.000 2.359 89 F HA 0.441 4.971 4.527 0.005 0.000 0.370 89 F C 0.423 176.464 175.800 0.401 0.000 1.077 89 F CA -0.640 57.543 58.000 0.305 0.000 1.136 89 F CB 1.065 40.268 39.000 0.338 0.000 1.387 89 F HN 0.338 nan 8.300 nan 0.000 0.468 90 K N 2.567 123.184 120.400 0.362 0.000 2.276 90 K HA 0.116 4.439 4.320 0.005 0.000 0.283 90 K C 0.315 177.053 176.600 0.229 0.000 1.044 90 K CA -0.548 55.876 56.287 0.229 0.000 0.944 90 K CB 0.558 33.118 32.500 0.099 0.000 1.012 90 K HN 0.422 nan 8.250 nan 0.000 0.472 91 N N 2.479 121.119 118.700 -0.100 0.000 2.411 91 N HA -0.094 4.649 4.740 0.005 0.000 0.265 91 N C 0.738 176.183 175.510 -0.108 0.000 1.266 91 N CA 0.434 53.193 53.050 -0.485 0.000 0.889 91 N CB 0.880 38.710 38.487 -1.095 0.000 1.069 91 N HN 0.729 nan 8.380 nan 0.000 0.476 92 S N 3.548 119.262 115.700 0.025 0.000 2.465 92 S HA -0.098 4.376 4.470 0.005 0.000 0.241 92 S C 1.103 175.714 174.600 0.018 0.000 1.000 92 S CA 0.937 59.177 58.200 0.065 0.000 0.964 92 S CB -0.006 63.260 63.200 0.111 0.000 0.763 92 S HN 0.635 nan 8.310 nan 0.000 0.512 93 K N 0.056 120.426 120.400 -0.051 0.000 2.404 93 K HA 0.143 4.466 4.320 0.005 0.000 0.194 93 K C -0.099 176.484 176.600 -0.028 0.000 1.023 93 K CA -0.349 55.909 56.287 -0.048 0.000 1.094 93 K CB -0.041 32.413 32.500 -0.076 0.000 0.841 93 K HN 0.518 nan 8.250 nan 0.000 0.523 94 Y N 2.865 123.092 120.300 -0.122 0.000 2.721 94 Y HA -0.074 4.479 4.550 0.005 0.000 0.329 94 Y C -0.019 175.848 175.900 -0.055 0.000 1.211 94 Y CA -0.495 57.551 58.100 -0.089 0.000 1.512 94 Y CB 0.049 38.465 38.460 -0.072 0.000 1.249 94 Y HN -0.039 nan 8.280 nan 0.000 0.549 95 N N 4.011 122.330 118.700 -0.636 0.000 2.485 95 N HA 0.026 4.769 4.740 0.005 0.000 0.243 95 N C 0.424 175.382 175.510 -0.921 0.000 0.987 95 N CA 0.405 53.113 53.050 -0.571 0.000 0.940 95 N CB 1.042 39.346 38.487 -0.305 0.000 1.122 95 N HN 0.780 nan 8.380 nan 0.000 0.509 96 S N 3.184 118.430 115.700 -0.756 0.000 2.547 96 S HA -0.011 4.462 4.470 0.005 0.000 0.235 96 S C 1.587 176.004 174.600 -0.306 0.000 0.980 96 S CA 0.375 58.256 58.200 -0.532 0.000 0.941 96 S CB -0.072 63.011 63.200 -0.196 0.000 0.763 96 S HN 0.592 nan 8.310 nan 0.000 0.532 97 L N 1.068 122.117 121.223 -0.290 0.000 2.362 97 L HA 0.118 4.461 4.340 0.005 0.000 0.204 97 L C 2.837 179.558 176.870 -0.248 0.000 1.060 97 L CA 1.203 55.913 54.840 -0.216 0.000 0.827 97 L CB -0.811 41.151 42.059 -0.162 0.000 1.027 97 L HN 0.498 nan 8.230 nan 0.000 0.474 98 T N -3.198 111.202 114.554 -0.257 0.000 3.044 98 T HA 0.197 4.550 4.350 0.005 0.000 0.250 98 T C 1.171 175.699 174.700 -0.287 0.000 1.081 98 T CA 0.037 61.989 62.100 -0.247 0.000 1.040 98 T CB 0.127 68.901 68.868 -0.158 0.000 0.962 98 T HN 0.255 nan 8.240 nan 0.000 0.506 99 I N -0.388 120.004 120.570 -0.297 0.000 5.620 99 I HA -0.234 3.939 4.170 0.005 0.000 0.127 99 I C 0.122 176.269 176.117 0.050 0.000 1.815 99 I CA 0.076 61.288 61.300 -0.147 0.000 2.038 99 I CB -2.625 35.202 38.000 -0.289 0.000 3.367 99 I HN 0.303 nan 8.210 nan 0.000 0.169 100 N N 2.593 121.269 118.700 -0.039 0.000 2.503 100 N HA 0.239 4.982 4.740 0.005 0.000 0.267 100 N C 0.596 176.162 175.510 0.094 0.000 1.214 100 N CA 0.486 53.565 53.050 0.048 0.000 0.959 100 N CB 0.377 38.864 38.487 -0.000 0.000 1.142 100 N HN 0.248 nan 8.380 nan 0.000 0.455 101 N N 0.650 119.410 118.700 0.101 0.000 2.758 101 N HA -0.217 4.526 4.740 0.005 0.000 0.248 101 N C -1.300 174.304 175.510 0.158 0.000 1.076 101 N CA 0.458 53.546 53.050 0.063 0.000 0.696 101 N CB -1.203 37.277 38.487 -0.011 0.000 0.979 101 N HN 0.626 nan 8.380 nan 0.000 0.550 102 D N 1.228 121.753 120.400 0.208 0.000 2.608 102 D HA 0.389 5.032 4.640 0.005 0.000 0.224 102 D C 0.039 176.332 176.300 -0.012 0.000 1.123 102 D CA 0.086 54.179 54.000 0.155 0.000 1.030 102 D CB -0.254 40.716 40.800 0.284 0.000 1.093 102 D HN 0.512 nan 8.370 nan 0.000 0.497 103 I N 0.606 121.105 120.570 -0.118 0.000 2.722 103 I HA 0.388 4.562 4.170 0.005 0.000 0.295 103 I C -1.269 174.792 176.117 -0.094 0.000 1.161 103 I CA -0.306 60.944 61.300 -0.083 0.000 1.032 103 I CB 2.227 40.204 38.000 -0.039 0.000 1.244 103 I HN -0.084 nan 8.210 nan 0.000 0.421 104 T N 6.979 121.591 114.554 0.097 0.000 2.933 104 T HA 0.541 4.894 4.350 0.005 0.000 0.305 104 T C -1.010 173.922 174.700 0.385 0.000 1.092 104 T CA -0.441 61.809 62.100 0.251 0.000 1.008 104 T CB 1.734 70.670 68.868 0.114 0.000 1.102 104 T HN 0.339 nan 8.240 nan 0.000 0.469 105 L N 3.270 124.826 121.223 0.555 0.000 2.325 105 L HA 0.655 4.998 4.340 0.005 0.000 0.278 105 L C -0.861 176.319 176.870 0.517 0.000 1.023 105 L CA -0.957 54.188 54.840 0.509 0.000 0.811 105 L CB 1.338 43.661 42.059 0.440 0.000 1.249 105 L HN 0.385 nan 8.230 nan 0.000 0.431 106 L N 3.621 125.078 121.223 0.391 0.000 2.325 106 L HA 0.484 4.827 4.340 0.005 0.000 0.281 106 L C -0.287 176.552 176.870 -0.052 0.000 1.004 106 L CA -0.541 54.422 54.840 0.205 0.000 0.823 106 L CB 1.668 43.805 42.059 0.130 0.000 1.236 106 L HN 0.497 nan 8.230 nan 0.000 0.415 107 K N 4.526 124.743 120.400 -0.305 0.000 2.234 107 K HA 0.507 4.830 4.320 0.005 0.000 0.277 107 K C -0.704 175.651 176.600 -0.408 0.000 1.038 107 K CA -0.565 55.190 56.287 -0.887 0.000 0.888 107 K CB 0.837 32.749 32.500 -0.979 0.000 1.091 107 K HN 0.549 nan 8.250 nan 0.000 0.467 108 L N 3.475 124.478 121.223 -0.367 0.000 2.397 108 L HA 0.060 4.403 4.340 0.005 0.000 0.271 108 L C 1.709 178.491 176.870 -0.145 0.000 1.148 108 L CA -0.316 54.421 54.840 -0.172 0.000 0.825 108 L CB 1.384 43.385 42.059 -0.098 0.000 1.117 108 L HN 0.830 nan 8.230 nan 0.000 0.456 109 S N 0.054 115.705 115.700 -0.082 0.000 2.406 109 S HA -0.031 4.442 4.470 0.005 0.000 0.228 109 S C 0.800 175.374 174.600 -0.043 0.000 1.020 109 S CA 0.328 58.493 58.200 -0.058 0.000 0.965 109 S CB -0.044 63.135 63.200 -0.035 0.000 0.798 109 S HN 0.692 nan 8.310 nan 0.000 0.488 110 T N 2.343 116.877 114.554 -0.032 0.000 2.812 110 T HA 0.746 5.099 4.350 0.005 0.000 0.282 110 T C -0.149 174.547 174.700 -0.008 0.000 0.990 110 T CA -0.359 61.732 62.100 -0.015 0.000 0.960 110 T CB 1.557 70.424 68.868 -0.001 0.000 0.948 110 T HN 0.523 nan 8.240 nan 0.000 0.438 111 A N 2.595 125.412 122.820 -0.005 0.000 2.466 111 A HA 0.647 4.970 4.320 0.005 0.000 0.238 111 A C 0.734 178.348 177.584 0.051 0.000 1.074 111 A CA -0.438 51.605 52.037 0.009 0.000 0.774 111 A CB -0.098 18.895 19.000 -0.011 0.000 1.015 111 A HN 1.057 nan 8.150 nan 0.000 0.498 112 A N 1.457 124.343 122.820 0.110 0.000 2.354 112 A HA 0.525 4.848 4.320 0.005 0.000 0.269 112 A C 0.634 178.353 177.584 0.225 0.000 1.109 112 A CA 0.237 52.388 52.037 0.190 0.000 0.800 112 A CB 0.244 19.426 19.000 0.304 0.000 1.045 112 A HN 1.347 nan 8.150 nan 0.000 0.489 113 S N 2.443 118.267 115.700 0.208 0.000 2.409 113 S HA 0.495 4.968 4.470 0.005 0.000 0.308 113 S C -0.475 174.324 174.600 0.333 0.000 1.080 113 S CA -0.561 57.758 58.200 0.198 0.000 1.081 113 S CB -0.809 62.460 63.200 0.114 0.000 1.009 113 S HN 0.359 nan 8.310 nan 0.000 0.502 114 F N 3.980 123.960 119.950 0.050 0.000 2.572 114 F HA 0.329 4.859 4.527 0.005 0.000 0.370 114 F C 1.392 177.218 175.800 0.043 0.000 1.103 114 F CA -0.224 57.810 58.000 0.057 0.000 1.286 114 F CB 0.407 39.446 39.000 0.066 0.000 1.105 114 F HN 0.708 nan 8.300 nan 0.000 0.583 115 S N 1.832 117.615 115.700 0.139 0.000 2.800 115 S HA 0.222 4.695 4.470 0.005 0.000 0.293 115 S C 0.577 175.184 174.600 0.012 0.000 1.209 115 S CA -0.614 57.630 58.200 0.074 0.000 0.884 115 S CB 1.389 64.621 63.200 0.055 0.000 1.244 115 S HN 0.584 nan 8.310 nan 0.000 0.540 116 Q N 0.443 120.242 119.800 -0.002 0.000 2.197 116 Q HA -0.143 4.200 4.340 0.005 0.000 0.207 116 Q C 1.375 177.330 176.000 -0.075 0.000 0.984 116 Q CA 2.328 58.110 55.803 -0.035 0.000 0.869 116 Q CB -0.541 28.175 28.738 -0.037 0.000 0.906 116 Q HN 0.922 nan 8.270 nan 0.000 0.426 117 T N -3.446 111.067 114.554 -0.067 0.000 3.054 117 T HA 0.352 4.705 4.350 0.005 0.000 0.255 117 T C -0.058 174.585 174.700 -0.095 0.000 1.035 117 T CA -0.368 61.678 62.100 -0.090 0.000 0.941 117 T CB 0.900 69.735 68.868 -0.055 0.000 1.026 117 T HN -0.015 nan 8.240 nan 0.000 0.533 118 V N 2.584 122.434 119.914 -0.107 0.000 2.488 118 V HA 0.732 4.855 4.120 0.005 0.000 0.293 118 V C -0.551 175.278 176.094 -0.441 0.000 1.027 118 V CA -0.480 61.719 62.300 -0.169 0.000 0.862 118 V CB 1.302 33.092 31.823 -0.055 0.000 1.008 118 V HN 0.702 nan 8.190 nan 0.000 0.428 119 S N 3.334 118.695 115.700 -0.565 0.000 2.643 119 S HA 0.939 5.412 4.470 0.005 0.000 0.270 119 S C -0.516 173.812 174.600 -0.454 0.000 1.166 119 S CA -0.347 57.259 58.200 -0.989 0.000 0.815 119 S CB 1.889 64.886 63.200 -0.338 0.000 1.139 119 S HN 1.292 nan 8.310 nan 0.000 0.472 120 A N 0.231 122.927 122.820 -0.207 0.000 2.279 120 A HA 0.825 5.148 4.320 0.005 0.000 0.303 120 A C -0.063 177.621 177.584 0.167 0.000 1.108 120 A CA -0.750 51.392 52.037 0.174 0.000 0.830 120 A CB 0.992 20.204 19.000 0.354 0.000 1.106 120 A HN 1.386 nan 8.150 nan 0.000 0.493 121 V N 0.732 120.601 119.914 -0.076 0.000 2.837 121 V HA 0.424 4.547 4.120 0.005 0.000 0.310 121 V C 0.112 176.047 176.094 -0.265 0.000 1.059 121 V CA -0.644 61.288 62.300 -0.613 0.000 1.004 121 V CB 1.223 32.358 31.823 -1.146 0.000 1.045 121 V HN 1.040 nan 8.190 nan 0.000 0.465 122 c N 5.303 123.754 118.600 -0.249 0.000 2.459 122 c HA 0.519 5.092 4.570 0.005 0.000 0.374 122 c C 0.167 174.204 174.090 -0.089 0.000 1.241 122 c CA -0.775 55.495 56.329 -0.098 0.000 2.352 122 c CB 0.080 42.562 42.510 -0.046 0.000 2.490 122 c HN 0.733 nan 8.230 nan 0.000 0.583 123 L N 4.345 125.545 121.223 -0.037 0.000 2.322 123 L HA 0.489 4.832 4.340 0.005 0.000 0.279 123 L C -1.692 175.192 176.870 0.023 0.000 1.036 123 L CA -1.178 53.651 54.840 -0.018 0.000 0.807 123 L CB 1.484 43.533 42.059 -0.018 0.000 1.226 123 L HN 0.521 nan 8.230 nan 0.000 0.433 124 P HA 0.264 nan 4.420 nan 0.000 0.284 124 P C -0.985 176.364 177.300 0.081 0.000 1.292 124 P CA -0.536 62.641 63.100 0.129 0.000 0.800 124 P CB 1.223 33.086 31.700 0.272 0.000 1.188 125 S N -0.696 115.046 115.700 0.070 0.000 2.578 125 S HA 0.393 4.866 4.470 0.005 0.000 0.283 125 S C 1.446 176.075 174.600 0.047 0.000 1.195 125 S CA -0.129 58.091 58.200 0.034 0.000 1.050 125 S CB 1.184 64.386 63.200 0.004 0.000 1.012 125 S HN 0.571 nan 8.310 nan 0.000 0.511 126 A N 2.200 125.044 122.820 0.039 0.000 2.032 126 A HA -0.138 4.185 4.320 0.005 0.000 0.221 126 A C 2.097 179.701 177.584 0.034 0.000 1.165 126 A CA 2.083 54.149 52.037 0.047 0.000 0.645 126 A CB -0.826 18.198 19.000 0.040 0.000 0.807 126 A HN 0.858 nan 8.150 nan 0.000 0.453 127 S N -0.554 115.152 115.700 0.010 0.000 2.528 127 S HA 0.041 4.514 4.470 0.005 0.000 0.219 127 S C 0.141 174.712 174.600 -0.049 0.000 0.985 127 S CA -0.132 58.061 58.200 -0.013 0.000 0.914 127 S CB -0.280 62.907 63.200 -0.021 0.000 0.776 127 S HN 0.436 nan 8.310 nan 0.000 0.526 128 D N 2.861 123.223 120.400 -0.062 0.000 2.506 128 D HA 0.244 4.887 4.640 0.005 0.000 0.234 128 D C -0.600 175.545 176.300 -0.259 0.000 1.143 128 D CA 0.854 54.730 54.000 -0.206 0.000 0.871 128 D CB 0.513 41.183 40.800 -0.217 0.000 1.190 128 D HN 0.412 nan 8.370 nan 0.000 0.459 129 D N 0.720 120.861 120.400 -0.432 0.000 2.549 129 D HA 0.262 4.905 4.640 0.005 0.000 0.251 129 D C -1.344 174.668 176.300 -0.480 0.000 1.153 129 D CA -0.585 53.236 54.000 -0.298 0.000 0.861 129 D CB 0.352 41.059 40.800 -0.155 0.000 1.207 129 D HN 0.053 nan 8.370 nan 0.000 0.543 130 F N 3.003 122.946 119.950 -0.012 0.000 2.291 130 F HA 0.523 5.053 4.527 0.006 0.000 0.368 130 F C 0.990 176.782 175.800 -0.014 0.000 1.085 130 F CA -0.991 56.999 58.000 -0.017 0.000 1.165 130 F CB 0.901 39.889 39.000 -0.020 0.000 1.429 130 F HN 0.407 nan 8.300 nan 0.000 0.503 131 A N 2.184 125.050 122.820 0.077 0.000 2.613 131 A HA 0.365 4.688 4.320 0.005 0.000 0.230 131 A C 0.688 178.312 177.584 0.066 0.000 1.051 131 A CA 0.131 52.198 52.037 0.051 0.000 0.754 131 A CB -0.169 18.844 19.000 0.021 0.000 0.979 131 A HN 0.884 nan 8.150 nan 0.000 0.510 132 A N 1.240 124.088 122.820 0.048 0.000 2.462 132 A HA 0.528 4.851 4.320 0.005 0.000 0.243 132 A C 1.703 179.306 177.584 0.032 0.000 1.076 132 A CA 0.770 52.831 52.037 0.040 0.000 0.773 132 A CB -0.435 18.585 19.000 0.034 0.000 1.010 132 A HN 2.811 nan 8.150 nan 0.000 0.493 133 G N 1.205 110.021 108.800 0.026 0.000 2.217 133 G HA2 -0.214 3.749 3.960 0.005 0.000 0.246 133 G HA3 -0.214 3.749 3.960 0.005 0.000 0.246 133 G C 0.512 175.426 174.900 0.024 0.000 0.990 133 G CA 0.416 45.528 45.100 0.021 0.000 0.627 133 G HN 1.231 nan 8.290 nan 0.000 0.522 134 T N 2.651 117.226 114.554 0.035 0.000 2.902 134 T HA 0.422 4.775 4.350 0.005 0.000 0.301 134 T C 0.658 175.376 174.700 0.031 0.000 1.012 134 T CA 1.045 63.171 62.100 0.043 0.000 1.151 134 T CB 0.926 69.843 68.868 0.080 0.000 0.946 134 T HN 0.266 nan 8.240 nan 0.000 0.542 135 T N 4.536 119.112 114.554 0.037 0.000 2.737 135 T HA 0.331 4.684 4.350 0.005 0.000 0.296 135 T C 0.381 175.124 174.700 0.072 0.000 0.922 135 T CA -0.538 61.588 62.100 0.044 0.000 1.079 135 T CB -0.264 68.637 68.868 0.055 0.000 0.892 135 T HN 0.689 nan 8.240 nan 0.000 0.514 136 c N 2.924 121.553 118.600 0.049 0.000 3.017 136 c HA 0.890 5.463 4.570 0.005 0.000 0.380 136 c C 0.006 174.131 174.090 0.058 0.000 1.583 136 c CA -0.666 55.715 56.329 0.086 0.000 1.616 136 c CB 1.528 44.018 42.510 -0.033 0.000 2.145 136 c HN 0.595 nan 8.230 nan 0.000 0.466 137 V N 0.197 120.112 119.914 0.002 0.000 2.841 137 V HA 0.717 4.840 4.120 0.005 0.000 0.310 137 V C -0.373 175.523 176.094 -0.330 0.000 1.090 137 V CA -0.165 62.027 62.300 -0.181 0.000 0.930 137 V CB 1.960 33.599 31.823 -0.306 0.000 1.014 137 V HN 0.965 nan 8.190 nan 0.000 0.425 138 T N 2.172 116.521 114.554 -0.340 0.000 2.893 138 T HA 0.826 5.179 4.350 0.005 0.000 0.291 138 T C -0.506 173.943 174.700 -0.419 0.000 1.028 138 T CA 0.065 61.975 62.100 -0.316 0.000 0.995 138 T CB 1.670 70.451 68.868 -0.145 0.000 1.051 138 T HN 1.110 nan 8.240 nan 0.000 0.470 139 T N 0.181 114.475 114.554 -0.433 0.000 2.883 139 T HA 0.932 5.285 4.350 0.005 0.000 0.296 139 T C -0.004 174.477 174.700 -0.366 0.000 1.117 139 T CA -0.276 61.514 62.100 -0.516 0.000 1.006 139 T CB 1.606 69.964 68.868 -0.850 0.000 1.191 139 T HN 1.279 nan 8.240 nan 0.000 0.508 140 G N -0.645 107.881 108.800 -0.457 0.000 2.321 140 G HA2 0.339 4.302 3.960 0.005 0.000 0.298 140 G HA3 0.339 4.302 3.960 0.005 0.000 0.298 140 G C -1.358 173.270 174.900 -0.453 0.000 1.385 140 G CA -0.825 44.047 45.100 -0.380 0.000 0.856 140 G HN 0.695 nan 8.290 nan 0.000 0.584 141 W N 1.296 122.486 121.300 -0.183 0.000 3.067 141 W HA 0.410 5.073 4.660 0.004 0.000 0.417 141 W C 1.094 177.490 176.519 -0.204 0.000 1.029 141 W CA -0.164 57.011 57.345 -0.283 0.000 1.992 141 W CB 0.856 29.980 29.460 -0.559 0.000 1.122 141 W HN 0.832 nan 8.180 nan 0.000 0.681 142 G N 0.838 109.679 108.800 0.069 0.000 2.651 142 G HA2 0.311 4.274 3.960 0.005 0.000 0.260 142 G HA3 0.311 4.274 3.960 0.005 0.000 0.260 142 G C 0.065 174.999 174.900 0.057 0.000 1.216 142 G CA -0.666 44.487 45.100 0.088 0.000 0.913 142 G HN -0.018 nan 8.290 nan 0.000 0.535 143 L N -0.180 121.090 121.223 0.078 0.000 2.543 143 L HA 0.044 4.387 4.340 0.005 0.000 0.285 143 L C 1.974 178.877 176.870 0.054 0.000 1.236 143 L CA 0.535 55.417 54.840 0.069 0.000 0.871 143 L CB 0.608 42.730 42.059 0.104 0.000 1.121 143 L HN 0.798 nan 8.230 nan 0.000 0.501 144 T N -0.723 113.854 114.554 0.038 0.000 3.040 144 T HA 0.136 4.489 4.350 0.005 0.000 0.250 144 T C 0.513 175.239 174.700 0.045 0.000 1.058 144 T CA -0.279 61.838 62.100 0.028 0.000 0.988 144 T CB 0.174 69.048 68.868 0.010 0.000 0.993 144 T HN 0.615 nan 8.240 nan 0.000 0.519 145 R N -0.253 120.284 120.500 0.061 0.000 2.535 145 R HA 0.477 4.820 4.340 0.005 0.000 0.274 145 R C -1.902 174.462 176.300 0.107 0.000 1.090 145 R CA -0.852 55.293 56.100 0.075 0.000 0.930 145 R CB 1.455 31.779 30.300 0.040 0.000 1.223 145 R HN 0.241 nan 8.270 nan 0.000 0.441 150 N N 1.189 119.899 118.700 0.016 0.000 2.430 150 N HA 0.552 5.295 4.740 0.005 0.000 0.298 150 N C 0.199 175.717 175.510 0.013 0.000 1.130 150 N CA 0.724 53.789 53.050 0.025 0.000 0.894 150 N CB 1.471 39.969 38.487 0.019 0.000 1.209 150 N HN 0.329 nan 8.380 nan 0.000 0.503 151 T N 0.013 114.569 114.554 0.002 0.000 2.900 151 T HA 0.321 4.674 4.350 0.005 0.000 0.307 151 T C -2.256 172.433 174.700 -0.019 0.000 1.065 151 T CA -1.080 61.015 62.100 -0.009 0.000 1.105 151 T CB 0.565 69.402 68.868 -0.051 0.000 0.979 151 T HN 0.425 nan 8.240 nan 0.000 0.544 152 P HA 0.267 nan 4.420 nan 0.000 0.275 152 P C -0.017 177.287 177.300 0.008 0.000 1.228 152 P CA -0.347 62.752 63.100 -0.002 0.000 0.786 152 P CB 0.820 32.516 31.700 -0.006 0.000 0.927 153 D N 1.374 121.751 120.400 -0.038 0.000 2.149 153 D HA -0.041 4.602 4.640 0.005 0.000 0.201 153 D C 0.720 176.985 176.300 -0.060 0.000 0.972 153 D CA 1.306 55.256 54.000 -0.083 0.000 0.835 153 D CB 0.117 40.858 40.800 -0.098 0.000 0.966 153 D HN 0.392 nan 8.370 nan 0.000 0.476 154 R N 0.548 120.965 120.500 -0.138 0.000 2.349 154 R HA 0.307 4.650 4.340 0.005 0.000 0.299 154 R C -0.270 175.828 176.300 -0.337 0.000 1.027 154 R CA -0.999 54.841 56.100 -0.433 0.000 0.958 154 R CB 1.353 31.305 30.300 -0.579 0.000 1.047 154 R HN -0.024 nan 8.270 nan 0.000 0.468 155 L N 2.858 123.763 121.223 -0.530 0.000 2.578 155 L HA -0.102 4.241 4.340 0.005 0.000 0.279 155 L C -0.339 176.285 176.870 -0.409 0.000 1.227 155 L CA 1.181 55.503 54.840 -0.863 0.000 0.900 155 L CB 0.305 41.952 42.059 -0.687 0.000 1.144 155 L HN 0.479 nan 8.230 nan 0.000 0.496 156 Q N 4.421 123.953 119.800 -0.447 0.000 2.297 156 Q HA 0.519 4.862 4.340 0.005 0.000 0.269 156 Q C -1.029 174.816 176.000 -0.259 0.000 1.051 156 Q CA -0.594 55.069 55.803 -0.234 0.000 0.869 156 Q CB 2.014 30.643 28.738 -0.182 0.000 1.346 156 Q HN 0.782 nan 8.270 nan 0.000 0.457 157 Q N -1.108 118.594 119.800 -0.163 0.000 2.501 157 Q HA 0.901 5.244 4.340 0.005 0.000 0.288 157 Q C -1.770 174.153 176.000 -0.128 0.000 1.051 157 Q CA -1.225 54.448 55.803 -0.217 0.000 0.788 157 Q CB 2.236 30.913 28.738 -0.101 0.000 1.469 157 Q HN 0.553 nan 8.270 nan 0.000 0.416 158 A N 0.907 123.637 122.820 -0.149 0.000 2.555 158 A HA 0.623 4.946 4.320 0.005 0.000 0.297 158 A C -1.223 176.317 177.584 -0.074 0.000 1.060 158 A CA -0.670 51.320 52.037 -0.078 0.000 0.710 158 A CB 2.107 21.068 19.000 -0.065 0.000 1.282 158 A HN 0.559 nan 8.150 nan 0.000 0.399 159 S N 1.172 116.860 115.700 -0.019 0.000 2.554 159 S HA 0.788 5.261 4.470 0.005 0.000 0.278 159 S C -0.220 174.374 174.600 -0.010 0.000 1.242 159 S CA -0.347 57.856 58.200 0.006 0.000 1.051 159 S CB 0.529 63.760 63.200 0.052 0.000 0.986 159 S HN 1.263 nan 8.310 nan 0.000 0.502 160 L N 0.437 121.648 121.223 -0.020 0.000 2.582 160 L HA 0.771 5.114 4.340 0.005 0.000 0.257 160 L C -3.190 173.662 176.870 -0.031 0.000 0.974 160 L CA -2.335 52.489 54.840 -0.027 0.000 0.851 160 L CB 2.359 44.391 42.059 -0.045 0.000 1.424 160 L HN 0.330 nan 8.230 nan 0.000 0.412 161 P HA 0.368 nan 4.420 nan 0.000 0.286 161 P C -0.896 176.385 177.300 -0.031 0.000 1.261 161 P CA -0.449 62.642 63.100 -0.015 0.000 0.821 161 P CB 1.823 33.522 31.700 -0.001 0.000 1.013 162 L N 2.493 123.700 121.223 -0.027 0.000 2.417 162 L HA 0.331 4.674 4.340 0.005 0.000 0.268 162 L C 0.634 177.505 176.870 0.002 0.000 1.158 162 L CA -0.562 54.259 54.840 -0.031 0.000 0.819 162 L CB 0.083 42.135 42.059 -0.013 0.000 1.112 162 L HN 0.239 nan 8.230 nan 0.000 0.458 163 L N 1.458 122.689 121.223 0.013 0.000 2.334 163 L HA 0.427 4.770 4.340 0.005 0.000 0.273 163 L C 0.342 177.236 176.870 0.041 0.000 1.013 163 L CA -0.639 54.219 54.840 0.030 0.000 0.816 163 L CB 1.999 44.082 42.059 0.040 0.000 1.278 163 L HN 0.670 nan 8.230 nan 0.000 0.431 164 S N 0.049 115.775 115.700 0.043 0.000 2.585 164 S HA 0.151 4.624 4.470 0.005 0.000 0.273 164 S C 0.750 175.385 174.600 0.060 0.000 1.339 164 S CA -0.730 57.498 58.200 0.048 0.000 1.028 164 S CB 0.854 64.078 63.200 0.041 0.000 0.906 164 S HN 0.615 nan 8.310 nan 0.000 0.528 165 N N 1.868 120.605 118.700 0.062 0.000 2.149 165 N HA -0.108 4.635 4.740 0.005 0.000 0.188 165 N C 1.617 177.175 175.510 0.080 0.000 1.019 165 N CA 1.726 54.821 53.050 0.075 0.000 0.857 165 N CB -0.965 37.563 38.487 0.069 0.000 0.997 165 N HN 0.742 nan 8.380 nan 0.000 0.426 166 T N 1.817 116.409 114.554 0.064 0.000 2.708 166 T HA -0.063 4.290 4.350 0.005 0.000 0.266 166 T C 1.596 176.336 174.700 0.066 0.000 1.037 166 T CA 1.026 63.162 62.100 0.060 0.000 1.146 166 T CB -0.165 68.730 68.868 0.045 0.000 0.865 166 T HN 0.250 nan 8.240 nan 0.000 0.435 167 N N 0.459 119.196 118.700 0.062 0.000 2.244 167 N HA -0.040 4.703 4.740 0.005 0.000 0.183 167 N C 2.063 177.627 175.510 0.090 0.000 1.016 167 N CA 0.511 53.598 53.050 0.062 0.000 0.866 167 N CB -0.868 37.647 38.487 0.047 0.000 0.980 167 N HN 0.371 nan 8.380 nan 0.000 0.430 168 c N 1.603 120.271 118.600 0.113 0.000 2.432 168 c HA -0.001 4.572 4.570 0.005 0.000 0.277 168 c C 2.245 176.477 174.090 0.237 0.000 1.249 168 c CA 0.740 57.178 56.329 0.181 0.000 1.725 168 c CB -0.698 41.920 42.510 0.180 0.000 2.028 168 c HN 0.403 nan 8.230 nan 0.000 0.477 169 K N 0.319 120.831 120.400 0.186 0.000 2.360 169 K HA -0.109 4.214 4.320 0.005 0.000 0.201 169 K C 1.949 178.626 176.600 0.129 0.000 1.046 169 K CA 0.987 57.384 56.287 0.182 0.000 0.945 169 K CB -0.124 32.455 32.500 0.133 0.000 0.750 169 K HN 0.573 nan 8.250 nan 0.000 0.464 170 K N -0.427 120.036 120.400 0.104 0.000 2.280 170 K HA -0.189 4.134 4.320 0.005 0.000 0.202 170 K C 1.541 178.169 176.600 0.047 0.000 1.047 170 K CA 1.295 57.620 56.287 0.063 0.000 0.942 170 K CB -0.009 32.526 32.500 0.058 0.000 0.739 170 K HN 0.242 nan 8.250 nan 0.000 0.457 171 Y N -1.440 118.812 120.300 -0.078 0.000 2.447 171 Y HA 0.004 4.556 4.550 0.004 0.000 0.286 171 Y C 1.152 176.907 175.900 -0.242 0.000 1.153 171 Y CA 0.373 58.324 58.100 -0.248 0.000 1.241 171 Y CB 0.092 38.286 38.460 -0.443 0.000 1.284 171 Y HN -0.026 nan 8.280 nan 0.000 0.520 172 W N 1.484 122.918 121.300 0.224 0.000 3.047 172 W HA 0.295 4.958 4.660 0.004 0.000 0.250 172 W C 1.684 178.265 176.519 0.102 0.000 1.314 172 W CA 0.768 58.226 57.345 0.187 0.000 1.540 172 W CB -0.345 29.298 29.460 0.306 0.000 1.127 172 W HN 0.450 nan 8.180 nan 0.000 0.679 173 G N 1.377 110.318 108.800 0.235 0.000 2.614 173 G HA2 -0.492 3.471 3.960 0.005 0.000 0.303 173 G HA3 -0.492 3.471 3.960 0.005 0.000 0.303 173 G C 0.989 175.994 174.900 0.174 0.000 1.270 173 G CA 1.748 46.939 45.100 0.152 0.000 0.988 173 G HN 0.308 nan 8.290 nan 0.000 0.551 174 T N -0.897 113.731 114.554 0.124 0.000 3.163 174 T HA 0.184 4.537 4.350 0.005 0.000 0.260 174 T C 1.756 176.526 174.700 0.117 0.000 1.156 174 T CA 1.609 63.770 62.100 0.103 0.000 1.072 174 T CB 0.047 68.950 68.868 0.059 0.000 0.937 174 T HN 0.469 nan 8.240 nan 0.000 0.528 175 K N 0.828 121.337 120.400 0.183 0.000 2.366 175 K HA 0.192 4.515 4.320 0.005 0.000 0.198 175 K C 0.640 177.382 176.600 0.237 0.000 1.044 175 K CA 0.090 56.477 56.287 0.167 0.000 0.973 175 K CB -0.049 32.587 32.500 0.227 0.000 0.767 175 K HN 0.433 nan 8.250 nan 0.000 0.475 176 I N 3.033 123.754 120.570 0.251 0.000 2.379 176 I HA 0.042 4.216 4.170 0.005 0.000 0.290 176 I C 0.573 176.776 176.117 0.142 0.000 1.063 176 I CA -0.217 61.211 61.300 0.213 0.000 1.351 176 I CB 0.398 38.511 38.000 0.188 0.000 1.410 176 I HN -0.179 nan 8.210 nan 0.000 0.505 177 K N 4.507 124.986 120.400 0.132 0.000 2.245 177 K HA 0.238 4.561 4.320 0.005 0.000 0.234 177 K C 0.823 177.470 176.600 0.078 0.000 1.021 177 K CA -0.579 55.761 56.287 0.087 0.000 0.898 177 K CB 0.790 33.331 32.500 0.068 0.000 1.163 177 K HN 0.459 nan 8.250 nan 0.000 0.459 178 D N -0.315 120.120 120.400 0.059 0.000 2.221 178 D HA -0.128 4.515 4.640 0.005 0.000 0.204 178 D C 0.785 177.120 176.300 0.059 0.000 0.982 178 D CA 1.103 55.135 54.000 0.055 0.000 0.857 178 D CB -0.073 40.753 40.800 0.043 0.000 0.934 178 D HN 0.401 nan 8.370 nan 0.000 0.475 179 A N -0.527 122.331 122.820 0.062 0.000 2.577 179 A HA 0.430 4.754 4.320 0.005 0.000 0.280 179 A C 0.337 177.970 177.584 0.082 0.000 1.331 179 A CA -0.450 51.627 52.037 0.066 0.000 0.935 179 A CB -0.495 18.538 19.000 0.054 0.000 1.082 179 A HN 0.183 nan 8.150 nan 0.000 0.525 180 M N -0.145 119.504 119.600 0.082 0.000 2.535 180 M HA 0.604 5.087 4.480 0.005 0.000 0.314 180 M C -0.891 175.444 176.300 0.058 0.000 1.153 180 M CA -0.372 54.973 55.300 0.074 0.000 0.924 180 M CB 2.485 35.134 32.600 0.082 0.000 1.710 180 M HN 0.258 nan 8.290 nan 0.000 0.451 181 I N 1.073 121.675 120.570 0.053 0.000 2.619 181 I HA 0.543 4.716 4.170 0.005 0.000 0.292 181 I C -1.384 174.775 176.117 0.069 0.000 1.100 181 I CA -0.489 60.843 61.300 0.053 0.000 1.043 181 I CB 1.469 39.493 38.000 0.040 0.000 1.239 181 I HN 0.780 nan 8.210 nan 0.000 0.420 182 c N 5.822 124.453 118.600 0.053 0.000 2.358 182 c HA 1.010 5.583 4.570 0.005 0.000 0.354 182 c C 0.250 174.373 174.090 0.056 0.000 1.183 182 c CA -0.255 56.121 56.329 0.078 0.000 2.150 182 c CB 0.754 43.302 42.510 0.063 0.000 2.361 182 c HN 0.869 nan 8.230 nan 0.000 0.535 183 A N 0.960 123.838 122.820 0.097 0.000 2.605 183 A HA 0.916 5.239 4.320 0.005 0.000 0.294 183 A C -0.144 177.479 177.584 0.066 0.000 1.062 183 A CA 0.436 52.473 52.037 -0.000 0.000 0.682 183 A CB 0.781 19.647 19.000 -0.224 0.000 1.278 183 A HN 2.593 nan 8.150 nan 0.000 0.410 184 G N -0.093 108.716 108.800 0.015 0.000 2.443 184 G HA2 0.497 4.460 3.960 0.005 0.000 0.209 184 G HA3 0.497 4.460 3.960 0.005 0.000 0.209 184 G C 0.868 175.767 174.900 -0.001 0.000 1.176 184 G CA 1.641 46.753 45.100 0.019 0.000 1.074 184 G HN 2.681 nan 8.290 nan 0.000 0.577 185 A N -1.953 120.856 122.820 -0.017 0.000 2.816 185 A HA 0.061 4.385 4.320 0.005 0.000 0.270 185 A C 1.689 179.251 177.584 -0.036 0.000 1.413 185 A CA 2.804 54.810 52.037 -0.053 0.000 0.866 185 A CB -2.177 16.780 19.000 -0.070 0.000 1.032 185 A HN 2.634 nan 8.150 nan 0.000 0.642 186 S N -2.396 113.292 115.700 -0.020 0.000 2.602 186 S HA 0.510 4.983 4.470 0.005 0.000 0.240 186 S C 1.636 176.230 174.600 -0.010 0.000 0.992 186 S CA 1.000 59.192 58.200 -0.013 0.000 0.971 186 S CB 0.363 63.559 63.200 -0.007 0.000 0.855 186 S HN 2.441 nan 8.310 nan 0.000 0.481 187 G N 0.340 109.132 108.800 -0.014 0.000 2.184 187 G HA2 -0.163 3.800 3.960 0.005 0.000 0.206 187 G HA3 -0.163 3.800 3.960 0.005 0.000 0.206 187 G C 0.000 174.898 174.900 -0.005 0.000 0.995 187 G CA 0.000 45.096 45.100 -0.008 0.000 0.651 187 G HN 1.580 nan 8.290 nan 0.000 0.511 188 V N -2.006 117.905 119.914 -0.005 0.000 3.160 188 V HA 1.028 5.151 4.120 0.005 0.000 0.310 188 V C -0.215 175.882 176.094 0.003 0.000 1.181 188 V CA -0.028 62.271 62.300 -0.001 0.000 1.047 188 V CB 1.824 33.644 31.823 -0.005 0.000 1.068 188 V HN 1.961 nan 8.190 nan 0.000 0.441 189 S N -0.198 115.507 115.700 0.009 0.000 2.558 189 S HA 0.624 5.097 4.470 0.005 0.000 0.277 189 S C -0.685 173.927 174.600 0.020 0.000 1.143 189 S CA -0.478 57.732 58.200 0.017 0.000 0.865 189 S CB 1.168 64.370 63.200 0.003 0.000 1.102 189 S HN 1.264 nan 8.310 nan 0.000 0.454 190 S N 0.770 116.485 115.700 0.025 0.000 2.603 190 S HA 0.753 5.226 4.470 0.005 0.000 0.268 190 S C -0.126 174.481 174.600 0.012 0.000 1.317 190 S CA -0.376 57.833 58.200 0.016 0.000 1.012 190 S CB 0.866 64.058 63.200 -0.012 0.000 0.926 190 S HN 0.995 nan 8.310 nan 0.000 0.539 191 c N 2.104 120.727 118.600 0.038 0.000 3.336 191 c HA 0.515 5.088 4.570 0.005 0.000 0.339 191 c C -0.275 173.878 174.090 0.104 0.000 1.468 191 c CA -1.055 55.316 56.329 0.071 0.000 1.287 191 c CB 1.203 43.768 42.510 0.092 0.000 1.682 191 c HN 0.998 nan 8.230 nan 0.000 0.451 192 M N 2.315 121.999 119.600 0.141 0.000 2.453 192 M HA 0.258 4.741 4.480 0.005 0.000 0.420 192 M C 1.182 177.583 176.300 0.168 0.000 1.649 192 M CA 2.518 57.917 55.300 0.164 0.000 0.937 192 M CB -0.443 32.269 32.600 0.186 0.000 2.111 192 M HN 1.382 nan 8.290 nan 0.000 0.497 193 G N 3.352 112.267 108.800 0.193 0.000 2.218 193 G HA2 -0.203 3.760 3.960 0.005 0.000 0.216 193 G HA3 -0.203 3.760 3.960 0.005 0.000 0.216 193 G C 0.352 175.420 174.900 0.279 0.000 0.994 193 G CA 0.164 45.417 45.100 0.254 0.000 0.637 193 G HN 0.720 nan 8.290 nan 0.000 0.505 194 D N 0.938 121.442 120.400 0.174 0.000 2.305 194 D HA 0.174 4.817 4.640 0.005 0.000 0.206 194 D C 1.486 177.854 176.300 0.113 0.000 0.974 194 D CA 0.765 54.842 54.000 0.128 0.000 0.871 194 D CB 0.026 40.866 40.800 0.065 0.000 0.947 194 D HN 0.335 nan 8.370 nan 0.000 0.516 195 S N -0.633 115.146 115.700 0.132 0.000 2.571 195 S HA 0.211 4.684 4.470 0.005 0.000 0.298 195 S C 1.546 176.173 174.600 0.046 0.000 1.280 195 S CA 1.031 59.317 58.200 0.142 0.000 1.052 195 S CB 0.667 64.055 63.200 0.313 0.000 0.799 195 S HN 0.502 nan 8.310 nan 0.000 0.501 196 G N 2.165 110.981 108.800 0.025 0.000 2.267 196 G HA2 -0.212 3.751 3.960 0.005 0.000 0.257 196 G HA3 -0.212 3.751 3.960 0.005 0.000 0.257 196 G C 0.470 175.397 174.900 0.044 0.000 0.998 196 G CA 0.168 45.263 45.100 -0.008 0.000 0.620 196 G HN 1.149 nan 8.290 nan 0.000 0.529 197 G N 0.833 109.672 108.800 0.064 0.000 2.651 197 G HA2 0.593 4.556 3.960 0.005 0.000 0.260 197 G HA3 0.593 4.556 3.960 0.005 0.000 0.260 197 G C -1.849 173.093 174.900 0.070 0.000 1.216 197 G CA -0.160 44.981 45.100 0.067 0.000 0.913 197 G HN 0.399 nan 8.290 nan 0.000 0.535 198 P HA 0.339 nan 4.420 nan 0.000 0.284 198 P C -1.163 176.100 177.300 -0.061 0.000 1.258 198 P CA -0.553 62.557 63.100 0.018 0.000 0.824 198 P CB 2.027 33.778 31.700 0.085 0.000 1.038 199 L N 3.896 125.054 121.223 -0.108 0.000 2.427 199 L HA 0.378 4.721 4.340 0.005 0.000 0.264 199 L C -0.841 175.909 176.870 -0.200 0.000 0.989 199 L CA -0.836 53.859 54.840 -0.241 0.000 0.865 199 L CB 0.996 42.790 42.059 -0.441 0.000 1.209 199 L HN 0.200 nan 8.230 nan 0.000 0.430 200 V N 1.335 121.168 119.914 -0.134 0.000 2.667 200 V HA 0.868 4.991 4.120 0.005 0.000 0.308 200 V C -0.229 175.979 176.094 0.189 0.000 1.048 200 V CA -0.578 61.728 62.300 0.011 0.000 0.928 200 V CB 1.331 33.249 31.823 0.159 0.000 1.004 200 V HN 0.806 nan 8.190 nan 0.000 0.444 201 c N 2.479 121.158 118.600 0.130 0.000 2.802 201 c HA 0.604 5.177 4.570 0.005 0.000 0.307 201 c C -0.029 174.070 174.090 0.015 0.000 1.222 201 c CA -1.035 55.354 56.329 0.100 0.000 1.580 201 c CB 1.793 44.245 42.510 -0.098 0.000 2.119 201 c HN 0.996 nan 8.230 nan 0.000 0.479 202 K N 1.353 121.621 120.400 -0.221 0.000 2.249 202 K HA 0.304 4.627 4.320 0.005 0.000 0.280 202 K C -0.246 176.303 176.600 -0.085 0.000 1.033 202 K CA 0.012 56.077 56.287 -0.370 0.000 0.946 202 K CB 0.726 32.860 32.500 -0.611 0.000 1.005 202 K HN 0.564 nan 8.250 nan 0.000 0.469 203 K N 3.697 124.064 120.400 -0.055 0.000 2.592 203 K HA 0.083 4.406 4.320 0.005 0.000 0.212 203 K C -0.912 175.663 176.600 -0.041 0.000 1.013 203 K CA -0.238 56.062 56.287 0.022 0.000 1.034 203 K CB 0.111 32.679 32.500 0.113 0.000 1.292 203 K HN 0.604 nan 8.250 nan 0.000 0.521 204 N N 2.469 121.131 118.700 -0.064 0.000 2.783 204 N HA -0.189 4.554 4.740 0.005 0.000 0.247 204 N C 0.477 175.939 175.510 -0.079 0.000 1.089 204 N CA 1.337 54.349 53.050 -0.063 0.000 0.690 204 N CB -1.175 37.286 38.487 -0.043 0.000 0.991 204 N HN 1.029 nan 8.380 nan 0.000 0.552 205 G N -1.433 107.288 108.800 -0.132 0.000 2.399 205 G HA2 -0.165 3.799 3.960 0.005 0.000 0.216 205 G HA3 -0.165 3.799 3.960 0.005 0.000 0.216 205 G C 0.191 174.969 174.900 -0.204 0.000 1.096 205 G CA 0.554 45.562 45.100 -0.152 0.000 0.650 205 G HN 1.217 nan 8.290 nan 0.000 0.512 206 A N 0.057 122.798 122.820 -0.131 0.000 2.354 206 A HA 0.586 4.909 4.320 0.005 0.000 0.269 206 A C -0.168 177.338 177.584 -0.129 0.000 1.109 206 A CA -0.119 51.874 52.037 -0.073 0.000 0.800 206 A CB 0.226 19.229 19.000 0.004 0.000 1.045 206 A HN 0.643 nan 8.150 nan 0.000 0.489 207 W N 1.284 122.601 121.300 0.029 0.000 2.266 207 W HA 0.444 5.108 4.660 0.006 0.000 0.317 207 W C 0.107 176.504 176.519 -0.204 0.000 1.310 207 W CA 0.411 57.743 57.345 -0.023 0.000 1.207 207 W CB 1.224 30.754 29.460 0.117 0.000 1.199 207 W HN 0.578 nan 8.180 nan 0.000 0.544 208 T N 4.386 118.970 114.554 0.050 0.000 2.841 208 T HA 0.287 4.640 4.350 0.005 0.000 0.283 208 T C -0.895 173.710 174.700 -0.157 0.000 1.000 208 T CA -0.847 61.212 62.100 -0.068 0.000 0.977 208 T CB 1.266 70.149 68.868 0.026 0.000 0.979 208 T HN 0.154 nan 8.240 nan 0.000 0.446 209 L N 4.683 125.792 121.223 -0.190 0.000 2.485 209 L HA 0.213 4.556 4.340 0.005 0.000 0.279 209 L C 0.797 177.544 176.870 -0.206 0.000 1.124 209 L CA 0.575 55.303 54.840 -0.187 0.000 0.888 209 L CB 0.046 42.018 42.059 -0.145 0.000 1.217 209 L HN 0.607 nan 8.230 nan 0.000 0.464 210 V N 4.182 123.918 119.914 -0.298 0.000 3.125 210 V HA 0.433 4.556 4.120 0.005 0.000 0.249 210 V C 1.028 177.005 176.094 -0.195 0.000 1.113 210 V CA 0.797 62.865 62.300 -0.387 0.000 1.106 210 V CB 0.067 31.488 31.823 -0.671 0.000 0.768 210 V HN 0.850 nan 8.190 nan 0.000 0.468 211 G N -0.628 108.080 108.800 -0.154 0.000 2.690 211 G HA2 0.708 4.671 3.960 0.005 0.000 0.291 211 G HA3 0.708 4.671 3.960 0.005 0.000 0.291 211 G C -1.668 173.266 174.900 0.057 0.000 1.403 211 G CA -0.552 44.527 45.100 -0.035 0.000 0.864 211 G HN 0.025 nan 8.290 nan 0.000 0.480 212 I N 0.867 121.537 120.570 0.166 0.000 2.436 212 I HA 0.256 4.429 4.170 0.005 0.000 0.289 212 I C 0.101 176.354 176.117 0.226 0.000 1.010 212 I CA -1.069 60.328 61.300 0.161 0.000 1.098 212 I CB 2.254 40.317 38.000 0.106 0.000 1.266 212 I HN 0.148 nan 8.210 nan 0.000 0.434 213 V N 5.177 125.217 119.914 0.210 0.000 2.584 213 V HA -0.054 4.069 4.120 0.005 0.000 0.303 213 V C 0.822 176.921 176.094 0.009 0.000 1.035 213 V CA 0.831 63.138 62.300 0.012 0.000 1.172 213 V CB 0.737 32.588 31.823 0.046 0.000 0.896 213 V HN 0.986 nan 8.190 nan 0.000 0.486 214 S N 4.771 120.376 115.700 -0.159 0.000 3.393 214 S HA 0.382 4.855 4.470 0.005 0.000 0.209 214 S C -0.129 174.483 174.600 0.020 0.000 0.897 214 S CA 0.034 58.285 58.200 0.084 0.000 0.825 214 S CB 0.585 63.842 63.200 0.095 0.000 0.898 214 S HN 0.887 nan 8.310 nan 0.000 0.615 215 W N -0.118 120.991 121.300 -0.319 0.000 2.988 215 W HA 0.640 5.302 4.660 0.004 0.000 0.355 215 W C -0.167 176.142 176.519 -0.350 0.000 1.233 215 W CA -0.390 56.759 57.345 -0.328 0.000 1.176 215 W CB 0.259 29.512 29.460 -0.345 0.000 1.477 215 W HN 0.644 nan 8.180 nan 0.000 0.582 216 G N 0.345 109.166 108.800 0.034 0.000 2.441 216 G HA2 0.270 4.233 3.960 0.005 0.000 0.225 216 G HA3 0.270 4.233 3.960 0.005 0.000 0.225 216 G C -1.050 174.033 174.900 0.306 0.000 1.200 216 G CA -0.165 44.894 45.100 -0.068 0.000 0.947 216 G HN 0.804 nan 8.290 nan 0.000 0.484 217 S N -0.110 115.804 115.700 0.356 0.000 2.558 217 S HA 0.292 4.765 4.470 0.005 0.000 0.293 217 S C 1.424 176.092 174.600 0.115 0.000 1.292 217 S CA 0.801 59.177 58.200 0.293 0.000 1.063 217 S CB 0.623 63.877 63.200 0.090 0.000 0.831 217 S HN 0.834 nan 8.310 nan 0.000 0.499 218 S N 2.728 118.487 115.700 0.098 0.000 2.607 218 S HA 0.018 4.491 4.470 0.005 0.000 0.224 218 S C 1.403 175.805 174.600 -0.329 0.000 0.969 218 S CA 0.814 59.000 58.200 -0.025 0.000 0.927 218 S CB -0.108 63.120 63.200 0.047 0.000 0.772 218 S HN 0.962 nan 8.310 nan 0.000 0.533 219 T N -3.158 111.130 114.554 -0.444 0.000 3.170 219 T HA 0.181 4.535 4.350 0.005 0.000 0.288 219 T C 0.525 174.850 174.700 -0.626 0.000 0.992 219 T CA -0.155 61.330 62.100 -1.025 0.000 0.909 219 T CB -0.884 67.688 68.868 -0.493 0.000 1.133 219 T HN 0.194 nan 8.240 nan 0.000 0.530 220 c N 1.953 120.370 118.600 -0.305 0.000 4.235 220 c HA -0.142 4.431 4.570 0.005 0.000 0.301 220 c C 1.011 175.064 174.090 -0.063 0.000 1.409 220 c CA 0.375 56.640 56.329 -0.107 0.000 2.024 220 c CB -3.279 39.218 42.510 -0.023 0.000 1.286 220 c HN 0.907 nan 8.230 nan 0.000 0.746 221 S N 0.757 116.413 115.700 -0.074 0.000 2.533 221 S HA 0.332 4.806 4.470 0.005 0.000 0.282 221 S C 1.487 176.056 174.600 -0.051 0.000 1.304 221 S CA 0.597 58.763 58.200 -0.057 0.000 1.063 221 S CB 0.852 64.006 63.200 -0.076 0.000 0.881 221 S HN 0.924 nan 8.310 nan 0.000 0.493 222 T N 1.054 115.587 114.554 -0.036 0.000 3.113 222 T HA 0.012 4.365 4.350 0.005 0.000 0.256 222 T C 1.294 175.963 174.700 -0.052 0.000 1.131 222 T CA 0.686 62.767 62.100 -0.032 0.000 1.074 222 T CB -0.339 68.521 68.868 -0.013 0.000 0.944 222 T HN 0.625 nan 8.240 nan 0.000 0.516 223 S N -0.208 115.444 115.700 -0.081 0.000 2.557 223 S HA 0.255 4.728 4.470 0.005 0.000 0.223 223 S C 0.403 174.883 174.600 -0.200 0.000 0.969 223 S CA -0.646 57.491 58.200 -0.105 0.000 0.927 223 S CB -0.035 63.114 63.200 -0.084 0.000 0.806 223 S HN 0.358 nan 8.310 nan 0.000 0.489 224 T N 4.450 118.859 114.554 -0.242 0.000 2.859 224 T HA 0.539 4.892 4.350 0.005 0.000 0.281 224 T C -2.998 171.574 174.700 -0.213 0.000 1.005 224 T CA -1.615 60.217 62.100 -0.447 0.000 1.025 224 T CB 1.541 70.111 68.868 -0.497 0.000 0.977 224 T HN 0.010 nan 8.240 nan 0.000 0.458 225 P HA 0.283 nan 4.420 nan 0.000 0.268 225 P C -0.026 177.366 177.300 0.154 0.000 1.204 225 P CA -0.162 62.976 63.100 0.063 0.000 0.768 225 P CB 0.396 32.191 31.700 0.158 0.000 0.842 226 G N 2.072 110.909 108.800 0.061 0.000 2.400 226 G HA2 0.487 4.450 3.960 0.005 0.000 0.301 226 G HA3 0.487 4.450 3.960 0.005 0.000 0.301 226 G C -0.887 173.858 174.900 -0.258 0.000 1.154 226 G CA -0.393 44.650 45.100 -0.095 0.000 0.852 226 G HN 0.338 nan 8.290 nan 0.000 0.511 227 V N 1.889 121.329 119.914 -0.790 0.000 2.459 227 V HA 0.489 4.612 4.120 0.005 0.000 0.295 227 V C -0.979 174.603 176.094 -0.852 0.000 1.029 227 V CA -0.690 61.077 62.300 -0.890 0.000 0.874 227 V CB 0.776 31.481 31.823 -1.863 0.000 0.985 227 V HN 0.631 nan 8.190 nan 0.000 0.438 228 Y N 1.507 121.632 120.300 -0.291 0.000 2.536 228 Y HA 0.738 5.292 4.550 0.005 0.000 0.347 228 Y C 0.491 176.353 175.900 -0.064 0.000 1.000 228 Y CA -1.039 56.978 58.100 -0.139 0.000 1.051 228 Y CB 1.740 40.136 38.460 -0.106 0.000 1.259 228 Y HN 0.721 nan 8.280 nan 0.000 0.468 229 A N 2.428 125.329 122.820 0.136 0.000 2.450 229 A HA 0.305 4.628 4.320 0.005 0.000 0.255 229 A C 0.266 177.911 177.584 0.101 0.000 1.096 229 A CA -0.498 51.608 52.037 0.116 0.000 0.778 229 A CB -0.019 19.047 19.000 0.110 0.000 1.031 229 A HN 0.793 nan 8.150 nan 0.000 0.494 230 R N 3.500 124.050 120.500 0.083 0.000 2.248 230 R HA 0.266 4.609 4.340 0.005 0.000 0.337 230 R C 0.446 176.787 176.300 0.068 0.000 1.085 230 R CA -0.327 55.814 56.100 0.068 0.000 0.934 230 R CB 0.209 30.552 30.300 0.071 0.000 1.034 230 R HN 0.570 nan 8.270 nan 0.000 0.465 231 V N 3.285 123.231 119.914 0.053 0.000 2.392 231 V HA -0.284 3.839 4.120 0.005 0.000 0.249 231 V C 2.405 178.551 176.094 0.086 0.000 1.059 231 V CA 2.399 64.737 62.300 0.064 0.000 1.051 231 V CB -0.703 31.136 31.823 0.027 0.000 0.658 231 V HN 0.933 nan 8.190 nan 0.000 0.455 232 T N -0.759 113.855 114.554 0.101 0.000 2.803 232 T HA -0.156 4.197 4.350 0.005 0.000 0.269 232 T C 1.756 176.513 174.700 0.094 0.000 1.052 232 T CA 1.490 63.660 62.100 0.117 0.000 1.136 232 T CB -0.442 68.516 68.868 0.151 0.000 0.864 232 T HN 0.505 nan 8.240 nan 0.000 0.467 233 A N 0.466 123.338 122.820 0.088 0.000 2.208 233 A HA 0.500 4.823 4.320 0.005 0.000 0.209 233 A C 2.015 179.652 177.584 0.089 0.000 1.161 233 A CA 0.376 52.460 52.037 0.078 0.000 0.782 233 A CB -0.398 18.642 19.000 0.068 0.000 0.816 233 A HN 0.580 nan 8.150 nan 0.000 0.477 234 L N -2.002 119.287 121.223 0.110 0.000 2.920 234 L HA 0.164 4.508 4.340 0.005 0.000 0.257 234 L C 1.858 178.868 176.870 0.232 0.000 1.150 234 L CA 0.038 54.974 54.840 0.160 0.000 0.959 234 L CB 0.528 42.662 42.059 0.125 0.000 1.321 234 L HN 0.147 nan 8.230 nan 0.000 0.555 235 V N 0.883 120.887 119.914 0.150 0.000 2.594 235 V HA -0.206 3.917 4.120 0.005 0.000 0.253 235 V C 2.107 178.248 176.094 0.080 0.000 1.069 235 V CA 1.906 64.271 62.300 0.109 0.000 1.082 235 V CB -0.199 31.665 31.823 0.067 0.000 0.680 235 V HN 0.521 nan 8.190 nan 0.000 0.469 236 N N -0.623 118.136 118.700 0.098 0.000 2.166 236 N HA -0.211 4.532 4.740 0.005 0.000 0.186 236 N C 1.402 176.956 175.510 0.073 0.000 1.019 236 N CA 1.920 55.008 53.050 0.063 0.000 0.856 236 N CB -0.539 37.992 38.487 0.073 0.000 0.993 236 N HN 0.824 nan 8.380 nan 0.000 0.426 237 W N 1.928 123.217 121.300 -0.019 0.000 2.388 237 W HA -0.084 4.579 4.660 0.005 0.000 0.294 237 W C 1.801 178.283 176.519 -0.062 0.000 1.212 237 W CA 0.788 58.121 57.345 -0.020 0.000 1.271 237 W CB -0.298 29.170 29.460 0.012 0.000 1.126 237 W HN -0.239 nan 8.180 nan 0.000 0.535 238 V N 1.273 121.126 119.914 -0.102 0.000 2.261 238 V HA -0.341 3.782 4.120 0.005 0.000 0.246 238 V C 2.627 178.431 176.094 -0.485 0.000 1.047 238 V CA 2.194 64.259 62.300 -0.392 0.000 1.015 238 V CB -1.118 30.647 31.823 -0.095 0.000 0.642 238 V HN 0.177 nan 8.190 nan 0.000 0.446 239 Q N -0.025 119.601 119.800 -0.290 0.000 2.096 239 Q HA -0.256 4.087 4.340 0.005 0.000 0.204 239 Q C 2.262 178.065 176.000 -0.329 0.000 0.982 239 Q CA 1.845 57.479 55.803 -0.280 0.000 0.850 239 Q CB -0.477 28.166 28.738 -0.159 0.000 0.901 239 Q HN 0.731 nan 8.270 nan 0.000 0.422 240 Q N -0.405 119.209 119.800 -0.309 0.000 2.124 240 Q HA -0.091 4.252 4.340 0.005 0.000 0.202 240 Q C 2.075 177.834 176.000 -0.401 0.000 0.977 240 Q CA 1.601 57.234 55.803 -0.282 0.000 0.850 240 Q CB -0.126 28.495 28.738 -0.194 0.000 0.901 240 Q HN 0.356 nan 8.270 nan 0.000 0.429 241 T N 1.213 115.379 114.554 -0.647 0.000 2.737 241 T HA -0.108 4.245 4.350 0.005 0.000 0.265 241 T C 1.744 175.968 174.700 -0.793 0.000 1.038 241 T CA 0.860 62.500 62.100 -0.767 0.000 1.144 241 T CB -0.124 68.053 68.868 -1.152 0.000 0.866 241 T HN 0.031 nan 8.240 nan 0.000 0.434 242 L N 1.289 121.965 121.223 -0.912 0.000 2.017 242 L HA 0.061 4.404 4.340 0.005 0.000 0.208 242 L C 2.844 179.430 176.870 -0.472 0.000 1.073 242 L CA 1.619 55.881 54.840 -0.963 0.000 0.745 242 L CB -1.217 40.278 42.059 -0.941 0.000 0.894 242 L HN 0.233 nan 8.230 nan 0.000 0.432 243 A N -0.806 121.800 122.820 -0.357 0.000 1.978 243 A HA -0.115 4.208 4.320 0.005 0.000 0.220 243 A C 2.274 179.771 177.584 -0.146 0.000 1.170 243 A CA 1.725 53.638 52.037 -0.207 0.000 0.636 243 A CB -0.758 18.139 19.000 -0.172 0.000 0.810 243 A HN 0.380 nan 8.150 nan 0.000 0.448 244 A N -1.320 121.398 122.820 -0.170 0.000 2.275 244 A HA 0.260 4.583 4.320 0.005 0.000 0.212 244 A C 0.694 178.260 177.584 -0.030 0.000 1.201 244 A CA -0.022 51.965 52.037 -0.085 0.000 0.843 244 A CB -0.067 18.888 19.000 -0.075 0.000 0.873 244 A HN 0.531 nan 8.150 nan 0.000 0.492 245 N N 0.000 118.672 118.700 -0.047 0.000 1.763 245 N HA 0.000 4.743 4.740 0.005 0.000 0.220 245 N CA 0.000 53.112 53.050 0.104 0.000 0.885 245 N CB 0.000 38.574 38.487 0.145 0.000 1.341 245 N HN 0.000 nan 8.380 nan 0.000 0.667