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 1s64_1_L DATA FIRST_RESID 18 DATA SEQUENCE LDFLRDRHVR FFQRCLQVLP ERYSSLETSR LTIAFFALSG LDMLDSLDVV DATA SEQUENCE NKDDIIEWIY SLQVLPTEDR SNLDRCGFRG SSYLGIPFNP SKNPGTAHPY DATA SEQUENCE DSGHIAMTYT GLSCLIILGD DLSRVDKEAC LAGLRALQLE DGSFCAVPEG DATA SEQUENCE SENDMRFVYC ASCICYMLNN WSGMDMKKAI SYIRRSMSYD NGLAQGAGLE DATA SEQUENCE SHGGSTFCGI ASLCLMGKLE EVFSEKELNR IKRWCIMRQQ NGYHGRPNKP DATA SEQUENCE VDTCYSFWVG ATLKLLKIFQ YTNFEKNRNY ILSTQDRLVG GFAKWPDSHP DATA SEQUENCE DALHAYFGIC GLSLMEESGI CKVHPALNVS TRTSERLRDL HQSWKT 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 18 L HA 0.000 nan 4.340 nan 0.000 0.249 18 L C 0.000 176.915 176.870 0.074 0.000 1.165 18 L CA 0.000 54.869 54.840 0.049 0.000 0.813 18 L CB 0.000 42.074 42.059 0.025 0.000 0.961 19 D N 0.112 120.557 120.400 0.074 0.000 2.350 19 D HA 0.404 5.045 4.640 0.002 0.000 0.238 19 D C -1.019 175.386 176.300 0.174 0.000 0.989 19 D CA -0.390 53.677 54.000 0.112 0.000 0.921 19 D CB 2.026 42.865 40.800 0.066 0.000 1.297 19 D HN 0.081 nan 8.370 nan 0.000 0.490 20 F N 1.044 121.029 119.950 0.057 0.000 2.438 20 F HA 0.248 4.777 4.527 0.002 0.000 0.360 20 F C -0.277 175.553 175.800 0.050 0.000 1.118 20 F CA -1.162 56.901 58.000 0.105 0.000 1.164 20 F CB 0.403 39.480 39.000 0.128 0.000 1.131 20 F HN 0.139 nan 8.300 nan 0.000 0.527 21 L N 7.891 128.829 121.223 -0.475 0.000 2.533 21 L HA 0.172 4.513 4.340 0.002 0.000 0.239 21 L C 1.943 178.269 176.870 -0.907 0.000 1.376 21 L CA 0.477 54.941 54.840 -0.627 0.000 1.240 21 L CB -1.301 40.375 42.059 -0.639 0.000 1.487 21 L HN 0.690 nan 8.230 nan 0.000 0.419 22 R N 0.256 120.253 120.500 -0.837 0.000 2.133 22 R HA -0.227 4.115 4.340 0.002 0.000 0.245 22 R C 1.292 177.421 176.300 -0.285 0.000 1.137 22 R CA 2.216 57.987 56.100 -0.548 0.000 0.947 22 R CB 0.158 30.386 30.300 -0.120 0.000 0.865 22 R HN 0.446 nan 8.270 nan 0.000 0.437 23 D N -0.363 119.899 120.400 -0.228 0.000 2.123 23 D HA -0.190 4.452 4.640 0.002 0.000 0.196 23 D C 1.981 178.164 176.300 -0.195 0.000 0.992 23 D CA 1.176 55.085 54.000 -0.152 0.000 0.833 23 D CB -0.273 40.455 40.800 -0.121 0.000 0.954 23 D HN 0.302 nan 8.370 nan 0.000 0.455 24 R N -0.263 120.032 120.500 -0.343 0.000 2.120 24 R HA -0.126 4.216 4.340 0.002 0.000 0.234 24 R C 2.102 178.196 176.300 -0.344 0.000 1.123 24 R CA 1.017 56.900 56.100 -0.362 0.000 0.975 24 R CB 0.006 30.018 30.300 -0.480 0.000 0.866 24 R HN 0.310 nan 8.270 nan 0.000 0.446 25 H N -0.708 118.209 119.070 -0.254 0.000 2.428 25 H HA -0.043 4.514 4.556 0.002 0.000 0.296 25 H C 2.135 177.412 175.328 -0.084 0.000 1.062 25 H CA 1.243 57.130 56.048 -0.269 0.000 1.350 25 H CB -0.086 29.510 29.762 -0.277 0.000 1.403 25 H HN 0.053 nan 8.280 nan 0.000 0.533 26 V N 1.357 121.327 119.914 0.095 0.000 2.343 26 V HA -0.204 3.917 4.120 0.002 0.000 0.247 26 V C 2.631 178.797 176.094 0.119 0.000 1.051 26 V CA 1.437 63.838 62.300 0.168 0.000 1.036 26 V CB -0.202 31.675 31.823 0.090 0.000 0.654 26 V HN 0.305 nan 8.190 nan 0.000 0.451 27 R N -0.848 119.672 120.500 0.033 0.000 2.092 27 R HA -0.127 4.214 4.340 0.002 0.000 0.231 27 R C 2.193 178.504 176.300 0.018 0.000 1.119 27 R CA 1.673 57.778 56.100 0.008 0.000 0.970 27 R CB -0.927 29.353 30.300 -0.034 0.000 0.864 27 R HN 0.577 nan 8.270 nan 0.000 0.440 28 F N 0.640 120.510 119.950 -0.133 0.000 2.102 28 F HA -0.185 4.343 4.527 0.002 0.000 0.298 28 F C 2.004 177.746 175.800 -0.097 0.000 1.105 28 F CA 1.501 59.397 58.000 -0.174 0.000 1.239 28 F CB -0.465 38.361 39.000 -0.291 0.000 0.991 28 F HN -0.114 nan 8.300 nan 0.000 0.474 29 F N 0.354 120.391 119.950 0.145 0.000 2.171 29 F HA -0.229 4.299 4.527 0.002 0.000 0.300 29 F C 2.725 178.461 175.800 -0.106 0.000 1.090 29 F CA 1.234 59.244 58.000 0.018 0.000 1.293 29 F CB -0.651 38.412 39.000 0.105 0.000 1.013 29 F HN 0.091 nan 8.300 nan 0.000 0.486 30 Q N 0.935 120.800 119.800 0.109 0.000 2.084 30 Q HA -0.255 4.086 4.340 0.002 0.000 0.202 30 Q C 2.345 178.297 176.000 -0.079 0.000 0.978 30 Q CA 1.577 57.382 55.803 0.003 0.000 0.844 30 Q CB -0.194 28.545 28.738 0.000 0.000 0.898 30 Q HN 0.290 nan 8.270 nan 0.000 0.426 31 R N -0.610 119.809 120.500 -0.135 0.000 2.120 31 R HA -0.125 4.216 4.340 0.002 0.000 0.234 31 R C 2.191 178.340 176.300 -0.251 0.000 1.123 31 R CA 1.495 57.476 56.100 -0.199 0.000 0.975 31 R CB -0.287 29.864 30.300 -0.249 0.000 0.866 31 R HN 0.415 nan 8.270 nan 0.000 0.446 32 C N 0.269 119.394 119.300 -0.291 0.000 2.422 32 C HA -0.020 4.442 4.460 0.002 0.000 0.279 32 C C 2.117 177.000 174.990 -0.180 0.000 1.305 32 C CA 0.141 59.003 59.018 -0.260 0.000 1.757 32 C CB -0.688 26.951 27.740 -0.169 0.000 1.962 32 C HN 0.440 nan 8.230 nan 0.000 0.499 33 L N 0.558 121.690 121.223 -0.152 0.000 2.478 33 L HA 0.045 4.386 4.340 0.002 0.000 0.223 33 L C 1.957 178.708 176.870 -0.198 0.000 1.140 33 L CA 1.330 56.063 54.840 -0.178 0.000 0.842 33 L CB -1.432 40.534 42.059 -0.155 0.000 0.953 33 L HN 0.541 nan 8.230 nan 0.000 0.452 34 Q N -1.363 118.335 119.800 -0.169 0.000 2.827 34 Q HA 0.206 4.548 4.340 0.002 0.000 0.411 34 Q C -0.295 175.621 176.000 -0.141 0.000 1.118 34 Q CA 0.040 55.753 55.803 -0.150 0.000 0.461 34 Q CB 0.367 29.032 28.738 -0.122 0.000 5.129 34 Q HN 0.024 nan 8.270 nan 0.000 0.316 35 V N 1.212 121.059 119.914 -0.112 0.000 2.628 35 V HA 0.416 4.537 4.120 0.002 0.000 0.306 35 V C -0.794 175.258 176.094 -0.069 0.000 1.045 35 V CA -0.555 61.696 62.300 -0.081 0.000 0.905 35 V CB 1.626 33.416 31.823 -0.056 0.000 0.997 35 V HN 0.315 nan 8.190 nan 0.000 0.436 36 L N 4.601 125.804 121.223 -0.033 0.000 2.342 36 L HA 0.631 4.972 4.340 0.002 0.000 0.271 36 L C -2.375 174.570 176.870 0.125 0.000 1.008 36 L CA -1.828 53.025 54.840 0.021 0.000 0.818 36 L CB 1.722 43.767 42.059 -0.023 0.000 1.296 36 L HN 0.434 nan 8.230 nan 0.000 0.427 37 P HA 0.041 nan 4.420 nan 0.000 0.272 37 P C 0.333 177.713 177.300 0.133 0.000 1.240 37 P CA -0.407 62.782 63.100 0.148 0.000 0.791 37 P CB 0.664 32.446 31.700 0.136 0.000 0.978 38 E N 0.962 121.192 120.200 0.051 0.000 2.401 38 E HA -0.208 4.144 4.350 0.002 0.000 0.199 38 E C 1.489 178.076 176.600 -0.023 0.000 1.023 38 E CA 0.405 56.823 56.400 0.030 0.000 0.859 38 E CB 0.035 29.744 29.700 0.015 0.000 0.780 38 E HN 0.328 nan 8.360 nan 0.000 0.523 39 R N -0.843 119.582 120.500 -0.124 0.000 2.316 39 R HA -0.112 4.229 4.340 0.002 0.000 0.202 39 R C 0.491 176.551 176.300 -0.401 0.000 1.029 39 R CA 0.993 56.923 56.100 -0.283 0.000 1.018 39 R CB -0.253 29.808 30.300 -0.399 0.000 0.888 39 R HN 0.227 nan 8.270 nan 0.000 0.471 40 Y N 1.122 121.439 120.300 0.028 0.000 2.658 40 Y HA 0.184 4.736 4.550 0.002 0.000 0.276 40 Y C 1.856 177.776 175.900 0.032 0.000 1.167 40 Y CA -0.144 57.977 58.100 0.035 0.000 1.230 40 Y CB 0.795 39.273 38.460 0.030 0.000 1.144 40 Y HN 0.218 nan 8.280 nan 0.000 0.529 41 S N -0.661 115.101 115.700 0.104 0.000 2.400 41 S HA -0.255 4.216 4.470 0.002 0.000 0.232 41 S C 2.094 176.733 174.600 0.065 0.000 1.025 41 S CA 1.488 59.734 58.200 0.077 0.000 0.993 41 S CB -0.751 62.474 63.200 0.043 0.000 0.808 41 S HN 0.502 nan 8.310 nan 0.000 0.478 42 S N 1.482 117.223 115.700 0.069 0.000 2.547 42 S HA 0.160 4.631 4.470 0.002 0.000 0.235 42 S C 1.529 176.167 174.600 0.063 0.000 0.980 42 S CA 0.496 58.730 58.200 0.056 0.000 0.941 42 S CB -0.759 62.480 63.200 0.065 0.000 0.763 42 S HN 0.589 nan 8.310 nan 0.000 0.532 43 L N 0.491 121.772 121.223 0.096 0.000 2.509 43 L HA 0.189 4.530 4.340 0.002 0.000 0.222 43 L C 2.599 179.495 176.870 0.043 0.000 1.123 43 L CA 0.515 55.409 54.840 0.090 0.000 0.856 43 L CB -0.419 41.719 42.059 0.131 0.000 0.985 43 L HN 0.285 nan 8.230 nan 0.000 0.456 44 E N 1.329 121.544 120.200 0.025 0.000 2.068 44 E HA -0.294 4.058 4.350 0.002 0.000 0.207 44 E C 1.995 178.552 176.600 -0.072 0.000 1.032 44 E CA 2.559 58.960 56.400 0.002 0.000 0.839 44 E CB -0.308 29.384 29.700 -0.014 0.000 0.758 44 E HN 0.428 nan 8.360 nan 0.000 0.457 45 T N -2.367 112.053 114.554 -0.223 0.000 3.163 45 T HA -0.001 4.350 4.350 0.002 0.000 0.260 45 T C 0.899 175.494 174.700 -0.175 0.000 1.156 45 T CA 0.753 62.640 62.100 -0.356 0.000 1.072 45 T CB -0.369 68.176 68.868 -0.539 0.000 0.937 45 T HN 0.151 nan 8.240 nan 0.000 0.528 46 S N -0.780 114.869 115.700 -0.085 0.000 2.901 46 S HA 0.416 4.887 4.470 0.002 0.000 0.248 46 S C 1.016 175.620 174.600 0.005 0.000 1.021 46 S CA -0.971 57.188 58.200 -0.068 0.000 1.090 46 S CB 0.191 63.347 63.200 -0.072 0.000 1.039 46 S HN 0.324 nan 8.310 nan 0.000 0.514 47 R N 0.244 120.785 120.500 0.069 0.000 2.120 47 R HA 0.055 4.396 4.340 0.002 0.000 0.234 47 R C 1.933 178.348 176.300 0.192 0.000 1.123 47 R CA 1.143 57.329 56.100 0.144 0.000 0.975 47 R CB -0.406 30.042 30.300 0.246 0.000 0.866 47 R HN 0.400 nan 8.270 nan 0.000 0.446 48 L N 0.947 122.265 121.223 0.158 0.000 2.131 48 L HA -0.152 4.189 4.340 0.002 0.000 0.210 48 L C 2.262 179.104 176.870 -0.048 0.000 1.092 48 L CA 2.241 57.141 54.840 0.100 0.000 0.759 48 L CB -0.788 41.223 42.059 -0.081 0.000 0.903 48 L HN 0.283 nan 8.230 nan 0.000 0.435 49 T N -3.743 110.726 114.554 -0.140 0.000 2.985 49 T HA -0.063 4.288 4.350 0.002 0.000 0.266 49 T C 1.929 176.369 174.700 -0.433 0.000 1.076 49 T CA 0.826 62.721 62.100 -0.340 0.000 1.135 49 T CB -0.392 68.275 68.868 -0.335 0.000 0.890 49 T HN 0.181 nan 8.240 nan 0.000 0.480 50 I N 2.249 122.735 120.570 -0.140 0.000 2.353 50 I HA 0.071 4.242 4.170 0.002 0.000 0.248 50 I C 3.075 179.161 176.117 -0.052 0.000 1.119 50 I CA 0.970 62.266 61.300 -0.006 0.000 1.417 50 I CB -1.699 36.335 38.000 0.055 0.000 1.078 50 I HN 0.381 nan 8.210 nan 0.000 0.421 51 A N 0.732 123.525 122.820 -0.045 0.000 1.902 51 A HA -0.260 4.062 4.320 0.002 0.000 0.217 51 A C 2.289 179.781 177.584 -0.153 0.000 1.181 51 A CA 1.350 53.353 52.037 -0.057 0.000 0.623 51 A CB -1.051 18.012 19.000 0.106 0.000 0.818 51 A HN 0.383 nan 8.150 nan 0.000 0.443 52 F N -0.048 119.688 119.950 -0.357 0.000 2.095 52 F HA -0.171 4.357 4.527 0.002 0.000 0.298 52 F C 1.954 177.398 175.800 -0.594 0.000 1.104 52 F CA 1.678 59.371 58.000 -0.511 0.000 1.232 52 F CB -0.536 38.061 39.000 -0.672 0.000 0.987 52 F HN 0.251 nan 8.300 nan 0.000 0.475 53 F N 0.191 119.746 119.950 -0.659 0.000 2.171 53 F HA -0.195 4.334 4.527 0.002 0.000 0.300 53 F C 2.589 177.866 175.800 -0.872 0.000 1.090 53 F CA 0.620 58.077 58.000 -0.906 0.000 1.293 53 F CB -0.820 38.013 39.000 -0.278 0.000 1.013 53 F HN 0.139 nan 8.300 nan 0.000 0.486 54 A N 0.394 122.993 122.820 -0.368 0.000 1.872 54 A HA -0.070 4.251 4.320 0.002 0.000 0.214 54 A C 2.132 179.367 177.584 -0.581 0.000 1.187 54 A CA 1.082 52.857 52.037 -0.437 0.000 0.614 54 A CB -0.918 18.023 19.000 -0.097 0.000 0.826 54 A HN 0.335 nan 8.150 nan 0.000 0.442 55 L N -1.026 119.922 121.223 -0.457 0.000 2.027 55 L HA -0.109 4.233 4.340 0.002 0.000 0.206 55 L C 2.856 179.448 176.870 -0.464 0.000 1.074 55 L CA 1.493 56.110 54.840 -0.372 0.000 0.745 55 L CB -0.507 41.394 42.059 -0.264 0.000 0.898 55 L HN 0.438 nan 8.230 nan 0.000 0.433 56 S N -0.100 115.173 115.700 -0.712 0.000 2.402 56 S HA -0.106 4.366 4.470 0.002 0.000 0.229 56 S C 1.954 176.301 174.600 -0.422 0.000 1.021 56 S CA 1.196 59.007 58.200 -0.649 0.000 0.974 56 S CB -0.344 62.118 63.200 -1.230 0.000 0.800 56 S HN 0.530 nan 8.310 nan 0.000 0.484 57 G N 1.457 109.849 108.800 -0.680 0.000 2.404 57 G HA2 -0.092 3.870 3.960 0.002 0.000 0.215 57 G HA3 -0.092 3.870 3.960 0.002 0.000 0.215 57 G C 1.372 176.018 174.900 -0.424 0.000 1.174 57 G CA 0.733 45.392 45.100 -0.736 0.000 0.780 57 G HN 0.504 nan 8.290 nan 0.000 0.537 58 L N 0.400 121.373 121.223 -0.418 0.000 2.083 58 L HA -0.069 4.273 4.340 0.002 0.000 0.209 58 L C 2.547 179.378 176.870 -0.065 0.000 1.083 58 L CA 1.404 56.184 54.840 -0.100 0.000 0.752 58 L CB -0.326 41.682 42.059 -0.085 0.000 0.899 58 L HN 0.222 nan 8.230 nan 0.000 0.433 59 D N -0.021 120.304 120.400 -0.125 0.000 2.117 59 D HA -0.257 4.385 4.640 0.002 0.000 0.197 59 D C 2.136 178.410 176.300 -0.043 0.000 0.987 59 D CA 1.252 55.203 54.000 -0.080 0.000 0.829 59 D CB 0.058 40.791 40.800 -0.111 0.000 0.961 59 D HN 0.019 nan 8.370 nan 0.000 0.460 60 M N -0.385 119.183 119.600 -0.052 0.000 2.279 60 M HA 0.046 4.528 4.480 0.002 0.000 0.264 60 M C 1.270 177.586 176.300 0.027 0.000 1.062 60 M CA 1.194 56.476 55.300 -0.030 0.000 1.099 60 M CB 0.005 32.564 32.600 -0.069 0.000 1.394 60 M HN 0.109 nan 8.290 nan 0.000 0.426 61 L N -1.244 120.022 121.223 0.073 0.000 2.667 61 L HA 0.138 4.480 4.340 0.002 0.000 0.232 61 L C 0.127 177.050 176.870 0.088 0.000 1.138 61 L CA -0.231 54.690 54.840 0.135 0.000 0.921 61 L CB -0.403 41.791 42.059 0.225 0.000 1.180 61 L HN 0.219 nan 8.230 nan 0.000 0.487 62 D N 0.705 121.133 120.400 0.046 0.000 2.737 62 D HA -0.200 4.441 4.640 0.002 0.000 0.238 62 D C 0.155 176.474 176.300 0.033 0.000 1.157 62 D CA 0.710 54.727 54.000 0.029 0.000 0.694 62 D CB -0.677 40.142 40.800 0.033 0.000 1.021 62 D HN 0.230 nan 8.370 nan 0.000 0.420 63 S N -0.159 115.558 115.700 0.029 0.000 3.021 63 S HA 0.193 4.665 4.470 0.002 0.000 0.252 63 S C 1.532 176.138 174.600 0.010 0.000 0.996 63 S CA -0.598 57.619 58.200 0.030 0.000 1.084 63 S CB 0.232 63.466 63.200 0.058 0.000 1.021 63 S HN 0.375 nan 8.310 nan 0.000 0.566 64 L N 2.088 123.306 121.223 -0.009 0.000 2.265 64 L HA -0.134 4.207 4.340 0.002 0.000 0.215 64 L C 2.111 178.972 176.870 -0.015 0.000 1.117 64 L CA 1.200 56.026 54.840 -0.024 0.000 0.782 64 L CB -0.322 41.717 42.059 -0.034 0.000 0.914 64 L HN 0.480 nan 8.230 nan 0.000 0.441 65 D N 0.092 120.488 120.400 -0.005 0.000 2.265 65 D HA -0.167 4.474 4.640 0.002 0.000 0.208 65 D C 1.797 178.094 176.300 -0.005 0.000 0.977 65 D CA 1.500 55.498 54.000 -0.003 0.000 0.871 65 D CB -0.443 40.358 40.800 0.001 0.000 0.925 65 D HN 0.430 nan 8.370 nan 0.000 0.485 66 V N -0.724 119.188 119.914 -0.004 0.000 3.510 66 V HA 0.080 4.201 4.120 0.002 0.000 0.270 66 V C 0.841 176.926 176.094 -0.016 0.000 1.201 66 V CA 0.164 62.460 62.300 -0.007 0.000 1.166 66 V CB -1.015 30.809 31.823 0.001 0.000 0.825 66 V HN 0.179 nan 8.190 nan 0.000 0.484 67 V N -2.330 117.572 119.914 -0.020 0.000 3.001 67 V HA 0.607 4.729 4.120 0.002 0.000 0.314 67 V C -0.185 175.897 176.094 -0.020 0.000 1.099 67 V CA -0.972 61.310 62.300 -0.029 0.000 0.989 67 V CB 1.863 33.661 31.823 -0.042 0.000 1.040 67 V HN 0.235 nan 8.190 nan 0.000 0.434 68 N N 2.041 120.729 118.700 -0.020 0.000 2.555 68 N HA 0.230 4.971 4.740 0.002 0.000 0.244 68 N C 0.868 176.382 175.510 0.008 0.000 1.114 68 N CA 0.009 53.056 53.050 -0.005 0.000 0.963 68 N CB 0.752 39.235 38.487 -0.006 0.000 1.276 68 N HN 0.805 nan 8.380 nan 0.000 0.510 69 K N 1.391 121.797 120.400 0.011 0.000 2.044 69 K HA -0.172 4.149 4.320 0.002 0.000 0.210 69 K C 0.798 177.428 176.600 0.051 0.000 1.049 69 K CA 1.447 57.747 56.287 0.022 0.000 0.927 69 K CB 0.203 32.713 32.500 0.016 0.000 0.713 69 K HN 0.500 nan 8.250 nan 0.000 0.443 70 D N 1.060 121.492 120.400 0.054 0.000 2.123 70 D HA -0.156 4.485 4.640 0.002 0.000 0.196 70 D C 1.559 177.922 176.300 0.106 0.000 0.992 70 D CA 1.236 55.283 54.000 0.078 0.000 0.833 70 D CB -0.234 40.603 40.800 0.062 0.000 0.954 70 D HN 0.195 nan 8.370 nan 0.000 0.455 71 D N 0.701 121.153 120.400 0.087 0.000 2.097 71 D HA -0.074 4.568 4.640 0.002 0.000 0.195 71 D C 2.342 178.743 176.300 0.169 0.000 0.989 71 D CA 0.406 54.472 54.000 0.109 0.000 0.827 71 D CB -0.315 40.517 40.800 0.052 0.000 0.966 71 D HN 0.284 nan 8.370 nan 0.000 0.456 72 I N 0.720 121.368 120.570 0.130 0.000 2.286 72 I HA -0.203 3.968 4.170 0.002 0.000 0.248 72 I C 2.350 178.616 176.117 0.247 0.000 1.115 72 I CA 0.630 62.043 61.300 0.188 0.000 1.392 72 I CB -0.157 37.896 38.000 0.088 0.000 1.065 72 I HN -0.027 nan 8.210 nan 0.000 0.418 73 I N 0.514 121.188 120.570 0.173 0.000 2.286 73 I HA -0.245 3.927 4.170 0.002 0.000 0.248 73 I C 2.523 178.791 176.117 0.251 0.000 1.115 73 I CA 1.187 62.583 61.300 0.160 0.000 1.392 73 I CB -0.392 37.712 38.000 0.173 0.000 1.065 73 I HN 0.241 nan 8.210 nan 0.000 0.418 74 E N -0.059 120.318 120.200 0.294 0.000 2.072 74 E HA -0.252 4.099 4.350 0.002 0.000 0.191 74 E C 1.728 178.534 176.600 0.344 0.000 0.985 74 E CA 1.145 57.744 56.400 0.332 0.000 0.801 74 E CB -0.461 29.442 29.700 0.340 0.000 0.750 74 E HN 0.612 nan 8.360 nan 0.000 0.452 75 W N 1.803 123.232 121.300 0.215 0.000 2.358 75 W HA -0.118 4.543 4.660 0.002 0.000 0.303 75 W C 1.968 178.546 176.519 0.099 0.000 1.208 75 W CA 1.363 58.835 57.345 0.213 0.000 1.274 75 W CB -0.412 29.142 29.460 0.157 0.000 1.138 75 W HN -0.061 nan 8.180 nan 0.000 0.515 76 I N -0.632 119.928 120.570 -0.016 0.000 2.179 76 I HA -0.359 3.812 4.170 0.002 0.000 0.242 76 I C 2.068 178.069 176.117 -0.193 0.000 1.088 76 I CA 1.381 62.508 61.300 -0.289 0.000 1.357 76 I CB -0.886 36.989 38.000 -0.208 0.000 1.051 76 I HN -0.081 nan 8.210 nan 0.000 0.409 77 Y N 1.106 121.394 120.300 -0.020 0.000 2.403 77 Y HA -0.201 4.350 4.550 0.002 0.000 0.291 77 Y C 2.908 178.662 175.900 -0.243 0.000 1.143 77 Y CA 1.268 59.337 58.100 -0.051 0.000 1.257 77 Y CB -0.623 37.815 38.460 -0.036 0.000 0.984 77 Y HN 0.270 nan 8.280 nan 0.000 0.550 78 S N -1.098 114.464 115.700 -0.229 0.000 2.522 78 S HA -0.042 4.429 4.470 0.002 0.000 0.227 78 S C 1.502 175.876 174.600 -0.377 0.000 0.986 78 S CA 0.570 58.488 58.200 -0.469 0.000 0.929 78 S CB -0.599 62.109 63.200 -0.820 0.000 0.769 78 S HN 0.481 nan 8.310 nan 0.000 0.529 79 L N 0.489 121.507 121.223 -0.342 0.000 2.567 79 L HA 0.282 4.624 4.340 0.002 0.000 0.225 79 L C 1.295 177.962 176.870 -0.338 0.000 1.119 79 L CA -0.041 54.623 54.840 -0.293 0.000 0.871 79 L CB -0.177 41.704 42.059 -0.296 0.000 1.036 79 L HN 0.404 nan 8.230 nan 0.000 0.459 80 Q N 1.420 120.891 119.800 -0.547 0.000 2.304 80 Q HA 0.184 4.525 4.340 0.002 0.000 0.260 80 Q C -0.715 174.965 176.000 -0.534 0.000 0.965 80 Q CA -0.234 54.971 55.803 -0.997 0.000 0.898 80 Q CB 1.413 29.537 28.738 -1.023 0.000 1.196 80 Q HN -0.020 nan 8.270 nan 0.000 0.402 81 V N 6.893 126.529 119.914 -0.464 0.000 2.372 81 V HA 0.177 4.298 4.120 0.002 0.000 0.261 81 V C 0.191 176.137 176.094 -0.247 0.000 1.055 81 V CA -0.158 61.978 62.300 -0.275 0.000 0.930 81 V CB 0.184 31.892 31.823 -0.192 0.000 1.031 81 V HN 0.724 nan 8.190 nan 0.000 0.479 82 L N 7.925 129.024 121.223 -0.208 0.000 2.379 82 L HA 0.503 4.844 4.340 0.002 0.000 0.269 82 L C -1.884 174.913 176.870 -0.121 0.000 1.084 82 L CA -1.853 52.888 54.840 -0.165 0.000 0.802 82 L CB 1.528 43.494 42.059 -0.155 0.000 1.175 82 L HN 0.389 nan 8.230 nan 0.000 0.448 83 P HA 0.076 nan 4.420 nan 0.000 0.271 83 P C -0.523 176.733 177.300 -0.073 0.000 1.216 83 P CA -0.364 62.688 63.100 -0.080 0.000 0.776 83 P CB 0.622 32.278 31.700 -0.072 0.000 0.881 84 T N -1.693 112.823 114.554 -0.063 0.000 2.766 84 T HA 0.246 4.597 4.350 0.002 0.000 0.295 84 T C 1.756 176.426 174.700 -0.051 0.000 1.024 84 T CA 0.260 62.327 62.100 -0.055 0.000 1.018 84 T CB -0.288 68.551 68.868 -0.048 0.000 1.002 84 T HN 0.456 nan 8.240 nan 0.000 0.532 85 E N 1.120 121.293 120.200 -0.046 0.000 2.065 85 E HA -0.251 4.100 4.350 0.002 0.000 0.201 85 E C 1.520 178.097 176.600 -0.039 0.000 1.016 85 E CA 1.948 58.324 56.400 -0.041 0.000 0.818 85 E CB -1.455 28.223 29.700 -0.036 0.000 0.749 85 E HN 0.986 nan 8.360 nan 0.000 0.453 86 D N -0.588 119.790 120.400 -0.038 0.000 2.352 86 D HA -0.036 4.606 4.640 0.002 0.000 0.232 86 D C 0.347 176.624 176.300 -0.038 0.000 1.055 86 D CA 0.301 54.279 54.000 -0.036 0.000 0.891 86 D CB -0.528 40.251 40.800 -0.034 0.000 0.897 86 D HN 0.504 nan 8.370 nan 0.000 0.529 87 R N -0.105 120.369 120.500 -0.042 0.000 3.387 87 R HA -0.174 4.167 4.340 0.002 0.000 0.254 87 R C 0.428 176.703 176.300 -0.042 0.000 1.006 87 R CA 0.919 56.992 56.100 -0.044 0.000 0.677 87 R CB -2.893 27.381 30.300 -0.043 0.000 1.063 87 R HN 0.460 nan 8.270 nan 0.000 0.453 88 S N -0.099 115.576 115.700 -0.042 0.000 2.597 88 S HA 0.012 4.483 4.470 0.002 0.000 0.224 88 S C 0.886 175.459 174.600 -0.045 0.000 0.955 88 S CA 0.066 58.241 58.200 -0.041 0.000 0.933 88 S CB 0.142 63.318 63.200 -0.040 0.000 0.788 88 S HN 0.554 nan 8.310 nan 0.000 0.488 89 N N 0.954 119.626 118.700 -0.048 0.000 2.365 89 N HA 0.202 4.944 4.740 0.002 0.000 0.257 89 N C 0.778 176.257 175.510 -0.051 0.000 1.287 89 N CA -0.401 52.619 53.050 -0.050 0.000 0.882 89 N CB -0.540 37.914 38.487 -0.054 0.000 1.250 89 N HN 0.320 nan 8.380 nan 0.000 0.507 90 L N 0.274 121.469 121.223 -0.047 0.000 2.042 90 L HA -0.140 4.201 4.340 0.002 0.000 0.210 90 L C 0.951 177.797 176.870 -0.040 0.000 1.076 90 L CA 1.479 56.292 54.840 -0.046 0.000 0.749 90 L CB -0.279 41.756 42.059 -0.040 0.000 0.893 90 L HN 0.062 nan 8.230 nan 0.000 0.432 91 D N -0.108 120.271 120.400 -0.035 0.000 2.403 91 D HA -0.106 4.536 4.640 0.002 0.000 0.227 91 D C 1.585 177.866 176.300 -0.031 0.000 0.995 91 D CA 0.858 54.840 54.000 -0.029 0.000 0.928 91 D CB 0.024 40.807 40.800 -0.028 0.000 0.887 91 D HN 0.311 nan 8.370 nan 0.000 0.529 92 R N -0.884 119.593 120.500 -0.039 0.000 2.565 92 R HA 0.228 4.570 4.340 0.002 0.000 0.347 92 R C -0.091 176.179 176.300 -0.051 0.000 1.010 92 R CA -0.240 55.837 56.100 -0.040 0.000 1.126 92 R CB 0.494 30.769 30.300 -0.041 0.000 1.331 92 R HN 0.059 nan 8.270 nan 0.000 0.552 93 C N 0.591 119.857 119.300 -0.056 0.000 2.520 93 C HA 0.773 5.234 4.460 0.002 0.000 0.376 93 C C 1.387 176.342 174.990 -0.058 0.000 1.268 93 C CA 0.243 59.213 59.018 -0.079 0.000 2.414 93 C CB 0.987 28.676 27.740 -0.085 0.000 2.521 93 C HN 0.782 nan 8.230 nan 0.000 0.618 94 G N 0.678 109.420 108.800 -0.097 0.000 2.470 94 G HA2 0.273 4.234 3.960 0.002 0.000 0.145 94 G HA3 0.273 4.234 3.960 0.002 0.000 0.145 94 G C -1.649 173.183 174.900 -0.114 0.000 1.223 94 G CA -0.478 44.629 45.100 0.012 0.000 1.058 94 G HN 0.429 nan 8.290 nan 0.000 0.469 95 F N 1.296 121.204 119.950 -0.070 0.000 2.563 95 F HA 0.758 5.286 4.527 0.002 0.000 0.316 95 F C 0.815 176.572 175.800 -0.071 0.000 1.076 95 F CA -0.730 57.209 58.000 -0.101 0.000 0.921 95 F CB 2.165 41.079 39.000 -0.143 0.000 1.209 95 F HN 0.402 nan 8.300 nan 0.000 0.462 96 R N 0.174 120.708 120.500 0.057 0.000 2.549 96 R HA 0.479 4.821 4.340 0.002 0.000 0.267 96 R C 1.032 177.359 176.300 0.044 0.000 1.045 96 R CA -0.251 55.880 56.100 0.052 0.000 1.115 96 R CB 0.562 30.852 30.300 -0.018 0.000 1.121 96 R HN 0.913 nan 8.270 nan 0.000 0.543 97 G N -0.239 108.608 108.800 0.078 0.000 2.551 97 G HA2 -0.075 3.886 3.960 0.002 0.000 0.216 97 G HA3 -0.075 3.886 3.960 0.002 0.000 0.216 97 G C 0.251 175.187 174.900 0.060 0.000 1.137 97 G CA 0.830 45.936 45.100 0.011 0.000 0.798 97 G HN 0.626 nan 8.290 nan 0.000 0.536 98 S N -1.855 113.936 115.700 0.151 0.000 2.671 98 S HA 0.343 4.814 4.470 0.002 0.000 0.270 98 S C 0.243 174.957 174.600 0.189 0.000 1.166 98 S CA 0.467 58.785 58.200 0.197 0.000 0.868 98 S CB 0.724 64.098 63.200 0.290 0.000 1.190 98 S HN 0.520 nan 8.310 nan 0.000 0.494 99 S N 0.302 116.115 115.700 0.189 0.000 2.618 99 S HA 0.149 4.621 4.470 0.002 0.000 0.242 99 S C 1.191 175.829 174.600 0.062 0.000 0.972 99 S CA 0.099 58.345 58.200 0.076 0.000 1.004 99 S CB -1.370 61.905 63.200 0.125 0.000 0.778 99 S HN 1.034 nan 8.310 nan 0.000 0.459 100 Y N 0.369 120.692 120.300 0.038 0.000 2.556 100 Y HA 0.134 4.685 4.550 0.002 0.000 0.290 100 Y C 1.348 177.258 175.900 0.016 0.000 1.149 100 Y CA 0.129 58.251 58.100 0.035 0.000 1.329 100 Y CB -0.721 37.759 38.460 0.034 0.000 0.975 100 Y HN 0.330 nan 8.280 nan 0.000 0.561 101 L N 0.355 121.223 121.223 -0.592 0.000 2.418 101 L HA 0.188 4.529 4.340 0.002 0.000 0.218 101 L C 1.842 178.615 176.870 -0.162 0.000 1.125 101 L CA 0.915 55.484 54.840 -0.452 0.000 0.835 101 L CB -0.524 41.142 42.059 -0.656 0.000 0.953 101 L HN 0.635 nan 8.230 nan 0.000 0.454 102 G N 0.725 109.470 108.800 -0.091 0.000 2.141 102 G HA2 -0.258 3.703 3.960 0.002 0.000 0.242 102 G HA3 -0.258 3.703 3.960 0.002 0.000 0.242 102 G C 0.250 175.155 174.900 0.009 0.000 0.982 102 G CA -0.328 44.772 45.100 -0.001 0.000 0.662 102 G HN 0.254 nan 8.290 nan 0.000 0.527 103 I N 2.935 123.480 120.570 -0.041 0.000 2.556 103 I HA 0.189 4.360 4.170 0.002 0.000 0.284 103 I C -0.773 175.352 176.117 0.014 0.000 1.114 103 I CA -1.550 59.737 61.300 -0.020 0.000 1.418 103 I CB 0.625 38.571 38.000 -0.089 0.000 1.394 103 I HN 0.032 nan 8.210 nan 0.000 0.552 104 P HA -0.100 nan 4.420 nan 0.000 0.261 104 P C -0.399 176.955 177.300 0.091 0.000 1.183 104 P CA -0.071 63.074 63.100 0.075 0.000 0.761 104 P CB 0.281 32.016 31.700 0.057 0.000 0.785 105 F N 3.887 123.842 119.950 0.008 0.000 2.580 105 F HA -0.034 4.494 4.527 0.002 0.000 0.398 105 F C 0.551 176.353 175.800 0.004 0.000 1.023 105 F CA 0.994 59.002 58.000 0.014 0.000 1.188 105 F CB -0.024 38.999 39.000 0.040 0.000 1.005 105 F HN 0.387 nan 8.300 nan 0.000 0.546 106 N N 7.585 125.963 118.700 -0.537 0.000 2.747 106 N HA 0.265 5.006 4.740 0.002 0.000 0.262 106 N C -2.921 172.309 175.510 -0.467 0.000 1.261 106 N CA -1.779 51.061 53.050 -0.351 0.000 0.809 106 N CB 1.304 39.686 38.487 -0.175 0.000 1.450 106 N HN 0.161 nan 8.380 nan 0.000 0.560 107 P HA 0.088 nan 4.420 nan 0.000 0.237 107 P C -0.699 176.505 177.300 -0.160 0.000 1.701 107 P CA 0.184 63.130 63.100 -0.258 0.000 0.955 107 P CB -0.612 31.038 31.700 -0.083 0.000 1.937 108 S N -1.332 114.261 115.700 -0.178 0.000 3.631 108 S HA -0.213 4.258 4.470 0.002 0.000 0.366 108 S C 1.296 175.786 174.600 -0.183 0.000 0.993 108 S CA 1.573 59.665 58.200 -0.180 0.000 1.167 108 S CB -1.657 61.428 63.200 -0.192 0.000 0.909 108 S HN 0.738 nan 8.310 nan 0.000 0.478 109 K N 0.918 121.233 120.400 -0.142 0.000 2.183 109 K HA 0.294 4.615 4.320 0.002 0.000 0.218 109 K C 0.462 177.008 176.600 -0.090 0.000 1.025 109 K CA 1.070 57.293 56.287 -0.107 0.000 0.944 109 K CB -0.752 31.706 32.500 -0.070 0.000 0.936 109 K HN 0.768 nan 8.250 nan 0.000 0.460 110 N N 0.892 119.547 118.700 -0.075 0.000 2.294 110 N HA 0.410 5.152 4.740 0.002 0.000 0.248 110 N C -1.132 174.332 175.510 -0.076 0.000 1.300 110 N CA -0.628 52.384 53.050 -0.064 0.000 0.925 110 N CB -0.561 37.898 38.487 -0.047 0.000 1.188 110 N HN 0.449 nan 8.380 nan 0.000 0.512 111 P HA 0.232 nan 4.420 nan 0.000 0.291 111 P C 0.113 177.367 177.300 -0.076 0.000 1.287 111 P CA 0.293 63.351 63.100 -0.069 0.000 0.767 111 P CB -0.254 31.412 31.700 -0.056 0.000 1.290 112 G N -1.534 107.221 108.800 -0.075 0.000 2.332 112 G HA2 0.561 4.522 3.960 0.002 0.000 0.310 112 G HA3 0.561 4.522 3.960 0.002 0.000 0.310 112 G C 0.281 175.147 174.900 -0.057 0.000 1.123 112 G CA 0.901 45.955 45.100 -0.078 0.000 0.873 112 G HN 0.804 nan 8.290 nan 0.000 0.460 113 T N 1.029 115.553 114.554 -0.050 0.000 2.775 113 T HA 0.605 4.956 4.350 0.002 0.000 0.287 113 T C 0.892 175.590 174.700 -0.004 0.000 0.909 113 T CA 0.228 62.313 62.100 -0.024 0.000 1.081 113 T CB -0.036 68.823 68.868 -0.014 0.000 0.891 113 T HN 1.217 nan 8.240 nan 0.000 0.544 114 A N 3.792 126.606 122.820 -0.010 0.000 2.584 114 A HA 0.438 4.759 4.320 0.002 0.000 0.239 114 A C 0.292 177.903 177.584 0.044 0.000 1.043 114 A CA 0.245 52.281 52.037 -0.002 0.000 0.756 114 A CB -0.148 18.835 19.000 -0.028 0.000 0.963 114 A HN 0.984 nan 8.150 nan 0.000 0.511 115 H N 3.259 122.290 119.070 -0.065 0.000 3.042 115 H HA 0.319 4.877 4.556 0.002 0.000 0.345 115 H C -2.418 172.856 175.328 -0.088 0.000 1.052 115 H CA -1.427 54.589 56.048 -0.053 0.000 1.311 115 H CB 1.966 31.704 29.762 -0.040 0.000 1.810 115 H HN 0.362 nan 8.280 nan 0.000 0.505 116 P HA -0.129 nan 4.420 nan 0.000 0.217 116 P C 0.021 177.075 177.300 -0.410 0.000 1.148 116 P CA 1.528 64.455 63.100 -0.287 0.000 0.834 116 P CB 0.087 31.556 31.700 -0.386 0.000 0.783 117 Y N -2.566 117.963 120.300 0.382 0.000 2.682 117 Y HA 0.269 4.821 4.550 0.002 0.000 0.251 117 Y C 0.175 176.079 175.900 0.005 0.000 1.172 117 Y CA -0.995 57.207 58.100 0.170 0.000 1.186 117 Y CB -0.004 38.553 38.460 0.163 0.000 1.216 117 Y HN -0.150 nan 8.280 nan 0.000 0.540 118 D N 1.481 121.904 120.400 0.038 0.000 2.280 118 D HA 0.463 5.104 4.640 0.002 0.000 0.243 118 D C -0.176 176.087 176.300 -0.061 0.000 1.129 118 D CA 0.135 54.049 54.000 -0.142 0.000 0.848 118 D CB 0.756 41.402 40.800 -0.256 0.000 1.107 118 D HN 0.157 nan 8.370 nan 0.000 0.471 119 S N 1.610 117.282 115.700 -0.045 0.000 2.643 119 S HA 0.774 5.246 4.470 0.002 0.000 0.270 119 S C 0.155 174.750 174.600 -0.008 0.000 1.166 119 S CA -0.834 57.349 58.200 -0.029 0.000 0.815 119 S CB 0.876 64.073 63.200 -0.005 0.000 1.139 119 S HN 0.464 nan 8.310 nan 0.000 0.472 120 G N -0.115 108.680 108.800 -0.009 0.000 2.580 120 G HA2 0.509 4.471 3.960 0.002 0.000 0.278 120 G HA3 0.509 4.471 3.960 0.002 0.000 0.278 120 G C -0.873 174.071 174.900 0.074 0.000 1.212 120 G CA -0.306 44.814 45.100 0.034 0.000 0.939 120 G HN 0.862 nan 8.290 nan 0.000 0.513 121 H N 0.638 119.707 119.070 -0.001 0.000 2.744 121 H HA 0.231 4.788 4.556 0.002 0.000 0.339 121 H C 1.056 176.348 175.328 -0.060 0.000 1.004 121 H CA -0.706 55.316 56.048 -0.043 0.000 1.257 121 H CB 1.760 31.512 29.762 -0.017 0.000 1.552 121 H HN 0.385 nan 8.280 nan 0.000 0.522 122 I N 3.980 124.417 120.570 -0.221 0.000 2.185 122 I HA -0.346 3.825 4.170 0.002 0.000 0.246 122 I C 1.936 178.103 176.117 0.084 0.000 1.088 122 I CA 1.947 63.178 61.300 -0.115 0.000 1.347 122 I CB -0.070 37.763 38.000 -0.279 0.000 1.041 122 I HN 0.709 nan 8.210 nan 0.000 0.415 123 A N -0.123 122.868 122.820 0.286 0.000 2.014 123 A HA -0.150 4.171 4.320 0.002 0.000 0.218 123 A C 2.114 179.778 177.584 0.133 0.000 1.163 123 A CA 1.180 53.413 52.037 0.326 0.000 0.652 123 A CB -0.288 18.967 19.000 0.424 0.000 0.808 123 A HN 0.429 nan 8.150 nan 0.000 0.449 124 M N -0.820 118.861 119.600 0.134 0.000 2.287 124 M HA -0.014 4.467 4.480 0.002 0.000 0.266 124 M C 2.049 178.296 176.300 -0.090 0.000 1.079 124 M CA 1.598 56.880 55.300 -0.030 0.000 1.146 124 M CB -1.977 30.636 32.600 0.022 0.000 1.374 124 M HN 0.330 nan 8.290 nan 0.000 0.435 125 T N 0.484 115.054 114.554 0.028 0.000 2.746 125 T HA -0.176 4.175 4.350 0.002 0.000 0.267 125 T C 1.703 176.299 174.700 -0.173 0.000 1.039 125 T CA 1.512 63.608 62.100 -0.007 0.000 1.142 125 T CB -0.469 68.463 68.868 0.107 0.000 0.866 125 T HN 0.354 nan 8.240 nan 0.000 0.444 126 Y N 2.942 123.113 120.300 -0.214 0.000 2.109 126 Y HA -0.188 4.363 4.550 0.002 0.000 0.285 126 Y C 2.710 178.381 175.900 -0.382 0.000 1.131 126 Y CA 1.873 59.810 58.100 -0.271 0.000 1.121 126 Y CB -1.246 37.078 38.460 -0.227 0.000 0.987 126 Y HN 0.299 nan 8.280 nan 0.000 0.495 127 T N -2.068 111.935 114.554 -0.917 0.000 2.915 127 T HA -0.022 4.329 4.350 0.002 0.000 0.269 127 T C 2.205 176.511 174.700 -0.658 0.000 1.071 127 T CA 1.048 62.487 62.100 -1.101 0.000 1.132 127 T CB -1.298 67.031 68.868 -0.899 0.000 0.878 127 T HN 0.427 nan 8.240 nan 0.000 0.479 128 G N 1.919 110.347 108.800 -0.621 0.000 2.434 128 G HA2 -0.033 3.928 3.960 0.002 0.000 0.214 128 G HA3 -0.033 3.928 3.960 0.002 0.000 0.214 128 G C 1.494 175.943 174.900 -0.753 0.000 1.202 128 G CA 0.692 45.329 45.100 -0.772 0.000 0.788 128 G HN 0.503 nan 8.290 nan 0.000 0.539 129 L N 0.583 121.376 121.223 -0.717 0.000 2.042 129 L HA -0.113 4.228 4.340 0.002 0.000 0.210 129 L C 3.107 179.813 176.870 -0.274 0.000 1.076 129 L CA 1.342 55.927 54.840 -0.424 0.000 0.749 129 L CB -0.506 41.409 42.059 -0.239 0.000 0.893 129 L HN 0.338 nan 8.230 nan 0.000 0.432 130 S N -0.923 114.592 115.700 -0.308 0.000 2.370 130 S HA -0.232 4.240 4.470 0.002 0.000 0.226 130 S C 2.170 176.704 174.600 -0.111 0.000 1.033 130 S CA 1.651 59.728 58.200 -0.204 0.000 1.011 130 S CB -0.314 62.630 63.200 -0.427 0.000 0.852 130 S HN 0.507 nan 8.310 nan 0.000 0.457 131 C N 0.995 120.203 119.300 -0.154 0.000 2.446 131 C HA 0.073 4.535 4.460 0.002 0.000 0.277 131 C C 2.513 177.431 174.990 -0.120 0.000 1.275 131 C CA 0.549 59.506 59.018 -0.102 0.000 1.727 131 C CB -1.547 26.126 27.740 -0.112 0.000 2.010 131 C HN 0.586 nan 8.230 nan 0.000 0.486 132 L N 0.393 121.509 121.223 -0.180 0.000 2.042 132 L HA -0.185 4.156 4.340 0.002 0.000 0.210 132 L C 2.379 179.211 176.870 -0.063 0.000 1.076 132 L CA 1.647 56.403 54.840 -0.140 0.000 0.749 132 L CB -0.562 41.375 42.059 -0.203 0.000 0.893 132 L HN 0.360 nan 8.230 nan 0.000 0.432 133 I N -0.236 120.296 120.570 -0.063 0.000 2.226 133 I HA -0.312 3.860 4.170 0.002 0.000 0.245 133 I C 2.423 178.514 176.117 -0.044 0.000 1.100 133 I CA 1.455 62.729 61.300 -0.043 0.000 1.374 133 I CB -0.239 37.730 38.000 -0.051 0.000 1.057 133 I HN 0.183 nan 8.210 nan 0.000 0.413 134 I N 0.536 121.075 120.570 -0.051 0.000 2.286 134 I HA -0.287 3.884 4.170 0.002 0.000 0.248 134 I C 2.186 178.273 176.117 -0.050 0.000 1.115 134 I CA 1.486 62.752 61.300 -0.057 0.000 1.392 134 I CB -0.252 37.695 38.000 -0.088 0.000 1.065 134 I HN 0.220 nan 8.210 nan 0.000 0.418 135 L N 0.211 121.408 121.223 -0.043 0.000 2.552 135 L HA 0.086 4.427 4.340 0.002 0.000 0.227 135 L C 1.672 178.540 176.870 -0.002 0.000 1.146 135 L CA 0.755 55.581 54.840 -0.022 0.000 0.858 135 L CB -0.344 41.708 42.059 -0.012 0.000 0.969 135 L HN 0.544 nan 8.230 nan 0.000 0.451 136 G N -0.753 108.045 108.800 -0.004 0.000 2.195 136 G HA2 -0.257 3.704 3.960 0.002 0.000 0.224 136 G HA3 -0.257 3.704 3.960 0.002 0.000 0.224 136 G C 0.232 175.152 174.900 0.034 0.000 0.990 136 G CA 0.075 45.181 45.100 0.008 0.000 0.639 136 G HN 0.386 nan 8.290 nan 0.000 0.514 137 D N 1.034 121.466 120.400 0.054 0.000 2.378 137 D HA 0.264 4.906 4.640 0.002 0.000 0.238 137 D C 1.038 177.406 176.300 0.113 0.000 1.180 137 D CA 0.798 54.863 54.000 0.110 0.000 0.895 137 D CB 0.638 41.534 40.800 0.161 0.000 1.192 137 D HN 0.339 nan 8.370 nan 0.000 0.438 138 D N 0.927 121.422 120.400 0.159 0.000 2.363 138 D HA 0.057 4.698 4.640 0.002 0.000 0.214 138 D C 0.912 177.406 176.300 0.323 0.000 1.093 138 D CA -0.326 53.790 54.000 0.193 0.000 0.837 138 D CB -0.024 40.882 40.800 0.177 0.000 0.948 138 D HN 0.259 nan 8.370 nan 0.000 0.507 139 L N 0.332 121.741 121.223 0.310 0.000 4.232 139 L HA -0.284 4.057 4.340 0.002 0.000 0.415 139 L C 1.717 178.736 176.870 0.248 0.000 1.168 139 L CA 0.994 56.041 54.840 0.345 0.000 0.966 139 L CB -2.968 39.334 42.059 0.404 0.000 2.052 139 L HN 0.332 nan 8.230 nan 0.000 0.887 140 S N -1.564 114.247 115.700 0.185 0.000 2.402 140 S HA -0.093 4.378 4.470 0.002 0.000 0.229 140 S C 1.719 176.306 174.600 -0.021 0.000 1.021 140 S CA 1.119 59.354 58.200 0.059 0.000 0.974 140 S CB -0.164 63.064 63.200 0.046 0.000 0.800 140 S HN 0.615 nan 8.310 nan 0.000 0.484 141 R N 0.711 121.170 120.500 -0.068 0.000 2.310 141 R HA 0.302 4.643 4.340 0.002 0.000 0.202 141 R C -0.508 175.779 176.300 -0.021 0.000 0.933 141 R CA -0.038 55.912 56.100 -0.250 0.000 1.054 141 R CB 0.113 29.891 30.300 -0.870 0.000 0.985 141 R HN 0.256 nan 8.270 nan 0.000 0.489 142 V N 1.886 121.905 119.914 0.175 0.000 2.432 142 V HA 0.000 4.121 4.120 0.002 0.000 0.271 142 V C 0.189 176.306 176.094 0.038 0.000 1.046 142 V CA -0.541 61.889 62.300 0.217 0.000 0.945 142 V CB 1.287 33.269 31.823 0.265 0.000 0.992 142 V HN 0.106 nan 8.190 nan 0.000 0.471 143 D N 5.172 125.569 120.400 -0.006 0.000 2.498 143 D HA 0.085 4.726 4.640 0.002 0.000 0.229 143 D C 1.270 177.539 176.300 -0.051 0.000 1.188 143 D CA -0.028 53.938 54.000 -0.057 0.000 1.028 143 D CB 0.514 41.267 40.800 -0.078 0.000 1.087 143 D HN 0.516 nan 8.370 nan 0.000 0.510 144 K N 1.676 122.030 120.400 -0.078 0.000 2.044 144 K HA -0.179 4.143 4.320 0.002 0.000 0.210 144 K C 1.444 177.996 176.600 -0.081 0.000 1.049 144 K CA 0.932 57.164 56.287 -0.092 0.000 0.927 144 K CB 0.250 32.638 32.500 -0.186 0.000 0.713 144 K HN 0.345 nan 8.250 nan 0.000 0.443 145 E N 0.470 120.617 120.200 -0.088 0.000 2.153 145 E HA -0.129 4.222 4.350 0.002 0.000 0.194 145 E C 1.995 178.562 176.600 -0.054 0.000 0.988 145 E CA 1.043 57.401 56.400 -0.070 0.000 0.811 145 E CB -0.156 29.502 29.700 -0.070 0.000 0.746 145 E HN 0.336 nan 8.360 nan 0.000 0.466 146 A N 0.631 123.418 122.820 -0.057 0.000 1.873 146 A HA -0.162 4.160 4.320 0.002 0.000 0.215 146 A C 2.629 180.189 177.584 -0.040 0.000 1.186 146 A CA 1.273 53.278 52.037 -0.053 0.000 0.616 146 A CB -0.887 18.072 19.000 -0.069 0.000 0.823 146 A HN 0.337 nan 8.150 nan 0.000 0.442 147 C N -0.587 118.696 119.300 -0.028 0.000 2.413 147 C HA -0.088 4.373 4.460 0.002 0.000 0.276 147 C C 2.654 177.638 174.990 -0.010 0.000 1.236 147 C CA 1.102 60.119 59.018 -0.001 0.000 1.735 147 C CB -1.535 26.230 27.740 0.041 0.000 2.031 147 C HN 0.624 nan 8.230 nan 0.000 0.474 148 L N 0.946 122.154 121.223 -0.026 0.000 2.083 148 L HA -0.149 4.192 4.340 0.002 0.000 0.209 148 L C 2.859 179.726 176.870 -0.005 0.000 1.083 148 L CA 1.556 56.381 54.840 -0.024 0.000 0.752 148 L CB -0.775 41.260 42.059 -0.039 0.000 0.899 148 L HN 0.349 nan 8.230 nan 0.000 0.433 149 A N 0.370 123.182 122.820 -0.014 0.000 1.898 149 A HA -0.094 4.228 4.320 0.002 0.000 0.216 149 A C 2.422 180.004 177.584 -0.003 0.000 1.181 149 A CA 1.618 53.649 52.037 -0.010 0.000 0.620 149 A CB -1.181 17.805 19.000 -0.023 0.000 0.819 149 A HN 0.426 nan 8.150 nan 0.000 0.442 150 G N -0.361 108.434 108.800 -0.008 0.000 2.418 150 G HA2 -0.181 3.780 3.960 0.002 0.000 0.217 150 G HA3 -0.181 3.780 3.960 0.002 0.000 0.217 150 G C 1.584 176.497 174.900 0.021 0.000 1.158 150 G CA 0.936 46.033 45.100 -0.004 0.000 0.771 150 G HN 0.404 nan 8.290 nan 0.000 0.545 151 L N -0.157 121.087 121.223 0.035 0.000 1.994 151 L HA -0.078 4.263 4.340 0.002 0.000 0.208 151 L C 3.255 180.232 176.870 0.178 0.000 1.071 151 L CA 1.308 56.202 54.840 0.090 0.000 0.745 151 L CB -0.294 41.792 42.059 0.045 0.000 0.892 151 L HN 0.212 nan 8.230 nan 0.000 0.431 152 R N -0.480 120.089 120.500 0.114 0.000 2.103 152 R HA -0.216 4.126 4.340 0.002 0.000 0.242 152 R C 2.171 178.487 176.300 0.027 0.000 1.142 152 R CA 1.492 57.644 56.100 0.086 0.000 0.960 152 R CB -0.520 29.805 30.300 0.042 0.000 0.858 152 R HN 0.437 nan 8.270 nan 0.000 0.439 153 A N 0.813 123.644 122.820 0.018 0.000 2.070 153 A HA -0.086 4.235 4.320 0.002 0.000 0.220 153 A C 2.009 179.580 177.584 -0.021 0.000 1.159 153 A CA 1.035 53.065 52.037 -0.011 0.000 0.656 153 A CB -0.314 18.679 19.000 -0.012 0.000 0.800 153 A HN 0.204 nan 8.150 nan 0.000 0.453 154 L N -1.002 120.235 121.223 0.023 0.000 2.418 154 L HA 0.036 4.377 4.340 0.002 0.000 0.218 154 L C 1.405 178.201 176.870 -0.123 0.000 1.125 154 L CA 0.038 54.896 54.840 0.030 0.000 0.835 154 L CB -0.201 41.955 42.059 0.162 0.000 0.953 154 L HN 0.502 nan 8.230 nan 0.000 0.454 155 Q N 1.388 120.972 119.800 -0.360 0.000 2.314 155 Q HA 0.323 4.664 4.340 0.002 0.000 0.258 155 Q C -0.574 175.175 176.000 -0.418 0.000 0.954 155 Q CA -0.151 55.156 55.803 -0.826 0.000 0.890 155 Q CB 0.954 29.086 28.738 -1.009 0.000 1.210 155 Q HN 0.239 nan 8.270 nan 0.000 0.410 156 L N 2.385 123.377 121.223 -0.385 0.000 2.431 156 L HA 0.205 4.546 4.340 0.002 0.000 0.260 156 L C 1.255 178.024 176.870 -0.169 0.000 1.098 156 L CA -0.551 54.165 54.840 -0.207 0.000 0.800 156 L CB 0.577 42.546 42.059 -0.150 0.000 1.210 156 L HN 0.765 nan 8.230 nan 0.000 0.465 157 E N 1.177 121.321 120.200 -0.094 0.000 2.118 157 E HA -0.260 4.091 4.350 0.002 0.000 0.195 157 E C 1.280 177.857 176.600 -0.037 0.000 0.992 157 E CA 1.848 58.213 56.400 -0.058 0.000 0.804 157 E CB -0.039 29.643 29.700 -0.030 0.000 0.741 157 E HN 0.717 nan 8.360 nan 0.000 0.458 158 D N -1.670 118.718 120.400 -0.020 0.000 2.363 158 D HA 0.034 4.676 4.640 0.002 0.000 0.226 158 D C 1.372 177.712 176.300 0.066 0.000 1.020 158 D CA 0.961 54.996 54.000 0.058 0.000 0.892 158 D CB -0.063 40.824 40.800 0.144 0.000 0.900 158 D HN 0.329 nan 8.370 nan 0.000 0.531 159 G N -0.199 108.553 108.800 -0.079 0.000 2.234 159 G HA2 -0.289 3.672 3.960 0.002 0.000 0.235 159 G HA3 -0.289 3.672 3.960 0.002 0.000 0.235 159 G C 0.543 175.275 174.900 -0.280 0.000 0.997 159 G CA 0.441 45.477 45.100 -0.107 0.000 0.623 159 G HN 0.830 nan 8.290 nan 0.000 0.514 160 S N -0.233 115.154 115.700 -0.521 0.000 2.652 160 S HA 0.822 5.293 4.470 0.002 0.000 0.267 160 S C -0.168 174.212 174.600 -0.367 0.000 1.201 160 S CA -0.330 57.499 58.200 -0.618 0.000 0.996 160 S CB 1.283 63.790 63.200 -1.155 0.000 1.054 160 S HN 0.558 nan 8.310 nan 0.000 0.561 161 F N -1.319 118.555 119.950 -0.126 0.000 2.593 161 F HA 0.601 5.129 4.527 0.002 0.000 0.320 161 F C 0.356 176.223 175.800 0.111 0.000 1.060 161 F CA -1.016 56.984 58.000 0.000 0.000 0.940 161 F CB 1.507 40.533 39.000 0.044 0.000 1.268 161 F HN 0.674 nan 8.300 nan 0.000 0.475 162 C N 0.435 119.849 119.300 0.190 0.000 2.354 162 C HA 0.706 5.167 4.460 0.002 0.000 0.381 162 C C 1.456 176.279 174.990 -0.278 0.000 1.240 162 C CA -0.016 59.041 59.018 0.064 0.000 2.089 162 C CB 1.376 29.112 27.740 -0.007 0.000 2.234 162 C HN 0.970 nan 8.230 nan 0.000 0.544 163 A N 0.309 122.744 122.820 -0.641 0.000 1.997 163 A HA 0.387 4.708 4.320 0.002 0.000 0.212 163 A C 0.563 177.754 177.584 -0.655 0.000 1.178 163 A CA 1.108 52.485 52.037 -1.099 0.000 0.698 163 A CB -0.164 17.899 19.000 -1.562 0.000 0.842 163 A HN 1.247 nan 8.150 nan 0.000 0.458 164 V N -4.770 114.933 119.914 -0.352 0.000 2.925 164 V HA 0.507 4.628 4.120 0.002 0.000 0.311 164 V C -2.358 173.688 176.094 -0.080 0.000 1.104 164 V CA -1.649 60.547 62.300 -0.173 0.000 0.954 164 V CB 1.840 33.615 31.823 -0.080 0.000 1.022 164 V HN 0.064 nan 8.190 nan 0.000 0.427 165 P HA -0.106 nan 4.420 nan 0.000 0.219 165 P C 0.884 178.182 177.300 -0.004 0.000 1.146 165 P CA 1.337 64.423 63.100 -0.024 0.000 0.808 165 P CB 0.422 32.110 31.700 -0.021 0.000 0.779 166 E N -0.207 120.003 120.200 0.017 0.000 2.418 166 E HA 0.241 4.592 4.350 0.002 0.000 0.197 166 E C 1.097 177.720 176.600 0.038 0.000 1.026 166 E CA 0.792 57.219 56.400 0.045 0.000 0.862 166 E CB -0.616 29.141 29.700 0.095 0.000 0.799 166 E HN 0.354 nan 8.360 nan 0.000 0.518 167 G N -0.395 108.416 108.800 0.017 0.000 2.674 167 G HA2 0.193 4.154 3.960 0.002 0.000 0.686 167 G HA3 0.193 4.154 3.960 0.002 0.000 0.686 167 G C -0.224 174.694 174.900 0.031 0.000 1.195 167 G CA -0.461 44.651 45.100 0.021 0.000 0.776 167 G HN 0.600 nan 8.290 nan 0.000 0.654 168 S N -0.507 115.219 115.700 0.043 0.000 2.671 168 S HA 0.752 5.224 4.470 0.002 0.000 0.270 168 S C -0.426 174.246 174.600 0.119 0.000 1.166 168 S CA 0.118 58.366 58.200 0.079 0.000 0.868 168 S CB 1.350 64.586 63.200 0.059 0.000 1.190 168 S HN 2.054 nan 8.310 nan 0.000 0.494 169 E N 1.461 121.769 120.200 0.179 0.000 2.392 169 E HA 0.311 4.662 4.350 0.002 0.000 0.259 169 E C -0.880 175.875 176.600 0.258 0.000 1.108 169 E CA -0.431 56.075 56.400 0.178 0.000 0.916 169 E CB 0.105 29.901 29.700 0.159 0.000 0.989 169 E HN 0.738 nan 8.360 nan 0.000 0.432 170 N N 0.864 119.666 118.700 0.170 0.000 2.295 170 N HA 0.377 5.119 4.740 0.002 0.000 0.293 170 N C -1.385 174.164 175.510 0.065 0.000 1.040 170 N CA -0.544 52.612 53.050 0.177 0.000 0.840 170 N CB 2.034 40.570 38.487 0.082 0.000 1.468 170 N HN 0.619 nan 8.380 nan 0.000 0.478 171 D N -0.016 120.380 120.400 -0.005 0.000 2.865 171 D HA 0.131 4.773 4.640 0.002 0.000 0.343 171 D C 0.639 176.931 176.300 -0.013 0.000 1.372 171 D CA -0.662 53.333 54.000 -0.008 0.000 0.862 171 D CB 0.456 41.218 40.800 -0.064 0.000 1.425 171 D HN 0.203 nan 8.370 nan 0.000 0.501 172 M N 0.046 119.719 119.600 0.121 0.000 2.144 172 M HA 0.038 4.520 4.480 0.002 0.000 0.260 172 M C 1.842 178.173 176.300 0.053 0.000 1.067 172 M CA 1.795 57.187 55.300 0.154 0.000 1.095 172 M CB -0.384 32.298 32.600 0.137 0.000 1.365 172 M HN 0.457 nan 8.290 nan 0.000 0.406 173 R N -1.324 119.103 120.500 -0.121 0.000 2.103 173 R HA -0.174 4.167 4.340 0.002 0.000 0.242 173 R C 2.058 178.394 176.300 0.059 0.000 1.142 173 R CA 2.039 58.069 56.100 -0.117 0.000 0.960 173 R CB -0.698 29.361 30.300 -0.403 0.000 0.858 173 R HN 0.432 nan 8.270 nan 0.000 0.439 174 F N -0.473 119.543 119.950 0.111 0.000 2.456 174 F HA -0.067 4.461 4.527 0.002 0.000 0.298 174 F C 2.223 177.971 175.800 -0.087 0.000 1.104 174 F CA -0.165 57.858 58.000 0.038 0.000 1.435 174 F CB 0.052 39.095 39.000 0.071 0.000 1.078 174 F HN -0.173 nan 8.300 nan 0.000 0.546 175 V N -0.361 119.650 119.914 0.162 0.000 2.427 175 V HA -0.319 3.803 4.120 0.002 0.000 0.248 175 V C 2.029 178.122 176.094 -0.001 0.000 1.051 175 V CA 1.743 64.089 62.300 0.078 0.000 1.048 175 V CB -0.733 31.220 31.823 0.217 0.000 0.666 175 V HN 0.393 nan 8.190 nan 0.000 0.456 176 Y N 0.276 120.560 120.300 -0.027 0.000 2.200 176 Y HA -0.246 4.305 4.550 0.002 0.000 0.290 176 Y C 2.529 178.314 175.900 -0.192 0.000 1.137 176 Y CA 1.628 59.693 58.100 -0.059 0.000 1.163 176 Y CB -0.720 37.760 38.460 0.034 0.000 0.988 176 Y HN 0.239 nan 8.280 nan 0.000 0.518 177 C N 0.438 119.573 119.300 -0.276 0.000 2.432 177 C HA -0.125 4.336 4.460 0.002 0.000 0.277 177 C C 3.081 177.784 174.990 -0.479 0.000 1.249 177 C CA 1.237 59.977 59.018 -0.464 0.000 1.725 177 C CB -1.760 25.949 27.740 -0.051 0.000 2.028 177 C HN 0.735 nan 8.230 nan 0.000 0.477 178 A N 0.456 122.976 122.820 -0.500 0.000 1.908 178 A HA -0.176 4.145 4.320 0.002 0.000 0.218 178 A C 2.263 179.585 177.584 -0.437 0.000 1.181 178 A CA 2.396 54.054 52.037 -0.631 0.000 0.627 178 A CB -0.830 17.300 19.000 -1.449 0.000 0.818 178 A HN 0.566 nan 8.150 nan 0.000 0.445 179 S N -0.927 114.577 115.700 -0.327 0.000 2.368 179 S HA -0.198 4.273 4.470 0.002 0.000 0.225 179 S C 1.951 176.376 174.600 -0.292 0.000 1.030 179 S CA 1.423 59.549 58.200 -0.123 0.000 0.999 179 S CB -0.710 62.533 63.200 0.072 0.000 0.844 179 S HN 0.720 nan 8.310 nan 0.000 0.459 180 C N 1.329 120.333 119.300 -0.493 0.000 2.429 180 C HA 0.020 4.481 4.460 0.002 0.000 0.277 180 C C 2.444 177.296 174.990 -0.230 0.000 1.262 180 C CA 0.250 59.006 59.018 -0.437 0.000 1.733 180 C CB -1.363 25.843 27.740 -0.891 0.000 2.010 180 C HN 0.547 nan 8.230 nan 0.000 0.483 181 I N 0.110 120.515 120.570 -0.275 0.000 2.179 181 I HA -0.243 3.928 4.170 0.002 0.000 0.242 181 I C 2.572 178.532 176.117 -0.263 0.000 1.088 181 I CA 1.484 62.675 61.300 -0.182 0.000 1.357 181 I CB -0.541 37.357 38.000 -0.169 0.000 1.051 181 I HN 0.368 nan 8.210 nan 0.000 0.409 182 C N -0.261 118.750 119.300 -0.481 0.000 2.413 182 C HA -0.228 4.233 4.460 0.002 0.000 0.277 182 C C 2.796 177.267 174.990 -0.865 0.000 1.265 182 C CA 0.693 59.223 59.018 -0.814 0.000 1.752 182 C CB -1.056 25.847 27.740 -1.395 0.000 1.998 182 C HN 0.510 nan 8.230 nan 0.000 0.489 183 Y N 0.984 120.824 120.300 -0.767 0.000 2.163 183 Y HA -0.172 4.380 4.550 0.003 0.000 0.288 183 Y C 2.499 178.385 175.900 -0.023 0.000 1.136 183 Y CA 1.736 59.671 58.100 -0.275 0.000 1.147 183 Y CB -0.375 38.072 38.460 -0.023 0.000 0.987 183 Y HN 0.233 nan 8.280 nan 0.000 0.509 184 M N -0.616 119.061 119.600 0.129 0.000 2.175 184 M HA -0.187 4.294 4.480 0.002 0.000 0.264 184 M C 1.639 178.111 176.300 0.287 0.000 1.063 184 M CA 1.448 56.866 55.300 0.197 0.000 1.119 184 M CB -0.253 32.425 32.600 0.130 0.000 1.377 184 M HN 0.248 nan 8.290 nan 0.000 0.415 185 L N -0.040 121.239 121.223 0.095 0.000 2.612 185 L HA 0.033 4.374 4.340 0.002 0.000 0.230 185 L C 0.428 177.307 176.870 0.014 0.000 1.140 185 L CA -0.235 54.677 54.840 0.121 0.000 0.896 185 L CB -0.835 41.201 42.059 -0.039 0.000 1.065 185 L HN 0.414 nan 8.230 nan 0.000 0.447 186 N N 2.160 120.751 118.700 -0.183 0.000 2.707 186 N HA -0.268 4.473 4.740 0.002 0.000 0.253 186 N C -0.507 174.875 175.510 -0.214 0.000 0.998 186 N CA 0.474 53.283 53.050 -0.401 0.000 0.751 186 N CB -0.888 37.102 38.487 -0.829 0.000 0.920 186 N HN 0.464 nan 8.380 nan 0.000 0.539 187 N N -0.170 118.365 118.700 -0.275 0.000 2.578 187 N HA 0.162 4.903 4.740 0.002 0.000 0.282 187 N C -0.753 174.605 175.510 -0.254 0.000 1.119 187 N CA -0.502 52.458 53.050 -0.149 0.000 0.948 187 N CB 0.095 38.513 38.487 -0.115 0.000 1.546 187 N HN 0.247 nan 8.380 nan 0.000 0.525 188 W N 1.930 123.231 121.300 0.000 0.000 3.400 188 W HA 0.158 4.819 4.660 0.001 0.000 0.347 188 W C 1.849 178.384 176.519 0.027 0.000 1.218 188 W CA -0.144 57.214 57.345 0.021 0.000 1.837 188 W CB 0.149 29.627 29.460 0.030 0.000 1.067 188 W HN 0.649 nan 8.180 nan 0.000 0.701 189 S N -1.283 114.495 115.700 0.130 0.000 2.555 189 S HA -0.006 4.465 4.470 0.002 0.000 0.230 189 S C 1.945 176.594 174.600 0.081 0.000 0.978 189 S CA 0.858 59.116 58.200 0.097 0.000 0.934 189 S CB -0.423 62.805 63.200 0.046 0.000 0.766 189 S HN 0.264 nan 8.310 nan 0.000 0.533 190 G N 1.367 110.202 108.800 0.060 0.000 2.598 190 G HA2 0.298 4.259 3.960 0.002 0.000 0.215 190 G HA3 0.298 4.259 3.960 0.002 0.000 0.215 190 G C 0.371 175.373 174.900 0.170 0.000 1.131 190 G CA 0.587 45.722 45.100 0.059 0.000 0.785 190 G HN 0.756 nan 8.290 nan 0.000 0.539 191 M N -2.322 117.413 119.600 0.226 0.000 2.644 191 M HA 0.468 4.949 4.480 0.002 0.000 0.273 191 M C -2.161 174.272 176.300 0.223 0.000 1.253 191 M CA -1.029 54.458 55.300 0.312 0.000 0.852 191 M CB 2.093 34.999 32.600 0.510 0.000 1.708 191 M HN -0.180 nan 8.290 nan 0.000 0.471 192 D N 2.282 122.775 120.400 0.156 0.000 2.494 192 D HA 0.234 4.876 4.640 0.002 0.000 0.217 192 D C 0.678 177.048 176.300 0.117 0.000 1.153 192 D CA -0.124 53.932 54.000 0.094 0.000 0.954 192 D CB 0.840 41.657 40.800 0.028 0.000 1.034 192 D HN 0.849 nan 8.370 nan 0.000 0.518 193 M N 3.334 123.013 119.600 0.132 0.000 2.144 193 M HA -0.227 4.255 4.480 0.002 0.000 0.260 193 M C 1.880 178.207 176.300 0.046 0.000 1.067 193 M CA 1.554 56.914 55.300 0.100 0.000 1.095 193 M CB 0.127 32.740 32.600 0.022 0.000 1.365 193 M HN 0.252 nan 8.290 nan 0.000 0.406 194 K N 0.149 120.563 120.400 0.024 0.000 2.063 194 K HA -0.208 4.113 4.320 0.002 0.000 0.208 194 K C 1.792 178.404 176.600 0.020 0.000 1.048 194 K CA 1.672 57.962 56.287 0.005 0.000 0.928 194 K CB -0.017 32.482 32.500 -0.001 0.000 0.713 194 K HN 0.380 nan 8.250 nan 0.000 0.442 195 K N -0.231 120.189 120.400 0.033 0.000 2.155 195 K HA -0.049 4.272 4.320 0.002 0.000 0.203 195 K C 2.110 178.760 176.600 0.084 0.000 1.052 195 K CA 0.927 57.238 56.287 0.039 0.000 0.948 195 K CB -0.022 32.482 32.500 0.007 0.000 0.728 195 K HN 0.189 nan 8.250 nan 0.000 0.448 196 A N 1.565 124.452 122.820 0.113 0.000 1.898 196 A HA -0.135 4.186 4.320 0.002 0.000 0.216 196 A C 2.086 179.770 177.584 0.167 0.000 1.181 196 A CA 1.192 53.342 52.037 0.189 0.000 0.620 196 A CB -0.541 18.619 19.000 0.267 0.000 0.819 196 A HN 0.153 nan 8.150 nan 0.000 0.442 197 I N -0.587 120.031 120.570 0.080 0.000 2.208 197 I HA -0.240 3.932 4.170 0.002 0.000 0.245 197 I C 2.851 178.968 176.117 0.000 0.000 1.097 197 I CA 1.546 62.849 61.300 0.005 0.000 1.363 197 I CB -0.235 37.731 38.000 -0.057 0.000 1.051 197 I HN 0.427 nan 8.210 nan 0.000 0.413 198 S N 0.041 115.758 115.700 0.028 0.000 2.370 198 S HA -0.280 4.192 4.470 0.002 0.000 0.226 198 S C 2.167 176.801 174.600 0.056 0.000 1.033 198 S CA 1.443 59.657 58.200 0.023 0.000 1.011 198 S CB -0.443 62.778 63.200 0.035 0.000 0.852 198 S HN 0.501 nan 8.310 nan 0.000 0.457 199 Y N 1.658 121.962 120.300 0.006 0.000 2.181 199 Y HA -0.020 4.531 4.550 0.002 0.000 0.288 199 Y C 1.922 177.839 175.900 0.027 0.000 1.146 199 Y CA 1.734 59.847 58.100 0.022 0.000 1.164 199 Y CB -0.334 38.154 38.460 0.046 0.000 0.982 199 Y HN 0.298 nan 8.280 nan 0.000 0.515 200 I N -0.278 120.364 120.570 0.121 0.000 2.226 200 I HA -0.319 3.853 4.170 0.002 0.000 0.245 200 I C 2.549 178.669 176.117 0.005 0.000 1.100 200 I CA 1.381 62.718 61.300 0.062 0.000 1.374 200 I CB -0.412 37.644 38.000 0.094 0.000 1.057 200 I HN 0.166 nan 8.210 nan 0.000 0.413 201 R N 0.604 121.080 120.500 -0.041 0.000 2.073 201 R HA -0.108 4.233 4.340 0.002 0.000 0.234 201 R C 2.356 178.647 176.300 -0.015 0.000 1.134 201 R CA 1.235 57.329 56.100 -0.010 0.000 0.952 201 R CB -0.266 29.983 30.300 -0.085 0.000 0.850 201 R HN 0.302 nan 8.270 nan 0.000 0.433 202 R N 0.400 120.844 120.500 -0.094 0.000 2.293 202 R HA -0.061 4.280 4.340 0.002 0.000 0.219 202 R C 2.102 178.290 176.300 -0.186 0.000 1.091 202 R CA 1.355 57.378 56.100 -0.128 0.000 1.004 202 R CB -0.025 30.187 30.300 -0.147 0.000 0.865 202 R HN 0.238 nan 8.270 nan 0.000 0.469 203 S N -0.389 115.173 115.700 -0.230 0.000 2.558 203 S HA 0.008 4.479 4.470 0.002 0.000 0.217 203 S C 0.876 175.379 174.600 -0.163 0.000 0.975 203 S CA -0.289 57.768 58.200 -0.239 0.000 0.912 203 S CB 0.014 63.048 63.200 -0.277 0.000 0.776 203 S HN 0.187 nan 8.310 nan 0.000 0.526 204 M N 3.131 122.668 119.600 -0.105 0.000 2.246 204 M HA 0.232 4.713 4.480 0.002 0.000 0.350 204 M C 0.329 176.538 176.300 -0.152 0.000 1.406 204 M CA 0.009 55.227 55.300 -0.137 0.000 1.089 204 M CB 0.769 33.333 32.600 -0.061 0.000 1.782 204 M HN 0.335 nan 8.290 nan 0.000 0.457 205 S N 3.515 119.068 115.700 -0.246 0.000 2.669 205 S HA 0.216 4.687 4.470 0.002 0.000 0.270 205 S C 0.718 175.187 174.600 -0.219 0.000 1.225 205 S CA -0.491 57.562 58.200 -0.246 0.000 0.991 205 S CB 0.537 63.489 63.200 -0.413 0.000 0.987 205 S HN 0.749 nan 8.310 nan 0.000 0.552 206 Y N 0.786 121.048 120.300 -0.062 0.000 2.403 206 Y HA 0.062 4.614 4.550 0.002 0.000 0.291 206 Y C 1.423 177.313 175.900 -0.017 0.000 1.143 206 Y CA 1.312 59.392 58.100 -0.033 0.000 1.257 206 Y CB -0.742 37.709 38.460 -0.015 0.000 0.984 206 Y HN 0.642 nan 8.280 nan 0.000 0.550 207 D N -1.155 118.810 120.400 -0.726 0.000 2.328 207 D HA -0.033 4.609 4.640 0.002 0.000 0.221 207 D C 0.215 176.419 176.300 -0.160 0.000 1.072 207 D CA 0.420 54.223 54.000 -0.329 0.000 0.850 207 D CB -0.623 39.974 40.800 -0.338 0.000 0.922 207 D HN 0.433 nan 8.370 nan 0.000 0.516 208 N N -1.095 117.440 118.700 -0.274 0.000 2.965 208 N HA -0.101 4.640 4.740 0.002 0.000 0.232 208 N C 0.728 175.931 175.510 -0.511 0.000 0.913 208 N CA 1.225 54.112 53.050 -0.271 0.000 0.981 208 N CB -1.590 36.842 38.487 -0.092 0.000 1.077 208 N HN 0.489 nan 8.380 nan 0.000 0.589 209 G N 0.027 108.203 108.800 -1.041 0.000 2.557 209 G HA2 0.578 4.540 3.960 0.002 0.000 0.292 209 G HA3 0.578 4.540 3.960 0.002 0.000 0.292 209 G C -0.237 174.144 174.900 -0.866 0.000 1.237 209 G CA -0.336 43.821 45.100 -1.571 0.000 0.978 209 G HN 0.035 nan 8.290 nan 0.000 0.498 210 L N 0.261 121.061 121.223 -0.704 0.000 2.317 210 L HA 0.693 5.034 4.340 0.002 0.000 0.281 210 L C 0.770 177.450 176.870 -0.317 0.000 1.024 210 L CA -0.604 54.008 54.840 -0.379 0.000 0.810 210 L CB 1.215 43.142 42.059 -0.220 0.000 1.240 210 L HN 0.709 nan 8.230 nan 0.000 0.427 211 A N 2.005 124.691 122.820 -0.223 0.000 2.284 211 A HA 0.516 4.837 4.320 0.002 0.000 0.317 211 A C 0.733 178.259 177.584 -0.097 0.000 1.120 211 A CA -0.350 51.597 52.037 -0.150 0.000 0.900 211 A CB 0.679 19.597 19.000 -0.136 0.000 1.319 211 A HN 0.688 nan 8.150 nan 0.000 0.494 212 Q N -0.598 119.160 119.800 -0.071 0.000 2.224 212 Q HA 0.086 4.427 4.340 0.002 0.000 0.203 212 Q C 0.739 176.770 176.000 0.051 0.000 0.970 212 Q CA 1.391 57.179 55.803 -0.026 0.000 0.865 212 Q CB -0.003 28.697 28.738 -0.062 0.000 0.922 212 Q HN 0.907 nan 8.270 nan 0.000 0.445 213 G N -1.467 107.311 108.800 -0.036 0.000 2.576 213 G HA2 0.521 4.483 3.960 0.002 0.000 0.290 213 G HA3 0.521 4.483 3.960 0.002 0.000 0.290 213 G C -1.547 173.261 174.900 -0.154 0.000 1.442 213 G CA -0.373 44.670 45.100 -0.096 0.000 0.792 213 G HN 0.131 nan 8.290 nan 0.000 0.491 214 A N -0.753 121.947 122.820 -0.200 0.000 2.567 214 A HA 0.517 4.838 4.320 0.002 0.000 0.240 214 A C 1.758 179.307 177.584 -0.057 0.000 1.053 214 A CA 1.773 53.731 52.037 -0.131 0.000 0.755 214 A CB -0.364 18.570 19.000 -0.111 0.000 0.978 214 A HN 2.841 nan 8.150 nan 0.000 0.507 215 G N 0.877 109.654 108.800 -0.039 0.000 2.267 215 G HA2 -0.192 3.769 3.960 0.002 0.000 0.257 215 G HA3 -0.192 3.769 3.960 0.002 0.000 0.257 215 G C 0.145 175.051 174.900 0.009 0.000 0.998 215 G CA 0.438 45.539 45.100 0.001 0.000 0.620 215 G HN 0.786 nan 8.290 nan 0.000 0.529 216 L N 1.215 122.428 121.223 -0.017 0.000 2.466 216 L HA 0.488 4.829 4.340 0.002 0.000 0.257 216 L C 1.050 177.907 176.870 -0.022 0.000 1.189 216 L CA -0.684 54.148 54.840 -0.012 0.000 0.813 216 L CB 0.710 42.754 42.059 -0.025 0.000 1.118 216 L HN 0.440 nan 8.230 nan 0.000 0.471 217 E N 0.447 120.646 120.200 -0.002 0.000 2.417 217 E HA 0.094 4.446 4.350 0.002 0.000 0.261 217 E C -0.342 176.233 176.600 -0.042 0.000 1.000 217 E CA -0.382 56.017 56.400 -0.002 0.000 0.919 217 E CB 0.612 30.337 29.700 0.042 0.000 0.955 217 E HN 0.635 nan 8.360 nan 0.000 0.455 218 S N 4.573 120.192 115.700 -0.135 0.000 2.568 218 S HA 0.035 4.506 4.470 0.002 0.000 0.282 218 S C -0.155 174.418 174.600 -0.046 0.000 1.338 218 S CA -0.425 57.609 58.200 -0.276 0.000 1.045 218 S CB 0.874 63.657 63.200 -0.694 0.000 0.873 218 S HN 0.674 nan 8.310 nan 0.000 0.516 219 H N 0.432 119.380 119.070 -0.203 0.000 2.930 219 H HA 0.369 4.927 4.556 0.002 0.000 0.371 219 H C 1.121 176.497 175.328 0.080 0.000 1.169 219 H CA -0.051 56.006 56.048 0.015 0.000 1.157 219 H CB 1.620 31.350 29.762 -0.053 0.000 1.789 219 H HN 0.721 nan 8.280 nan 0.000 0.547 220 G N 1.487 110.188 108.800 -0.164 0.000 2.422 220 G HA2 -0.225 3.736 3.960 0.002 0.000 0.218 220 G HA3 -0.225 3.736 3.960 0.002 0.000 0.218 220 G C 1.422 176.415 174.900 0.155 0.000 1.146 220 G CA 0.825 45.972 45.100 0.079 0.000 0.769 220 G HN 0.646 nan 8.290 nan 0.000 0.547 221 G N 0.939 109.837 108.800 0.163 0.000 2.404 221 G HA2 -0.141 3.820 3.960 0.002 0.000 0.215 221 G HA3 -0.141 3.820 3.960 0.002 0.000 0.215 221 G C 2.223 177.101 174.900 -0.037 0.000 1.174 221 G CA 1.761 46.733 45.100 -0.213 0.000 0.780 221 G HN 0.645 nan 8.290 nan 0.000 0.537 222 S N 0.034 115.767 115.700 0.055 0.000 2.402 222 S HA -0.082 4.389 4.470 0.002 0.000 0.229 222 S C 2.204 176.806 174.600 0.002 0.000 1.021 222 S CA 1.862 60.059 58.200 -0.006 0.000 0.974 222 S CB -0.618 62.558 63.200 -0.040 0.000 0.800 222 S HN 0.242 nan 8.310 nan 0.000 0.484 223 T N 1.880 116.436 114.554 0.004 0.000 2.777 223 T HA 0.041 4.392 4.350 0.002 0.000 0.266 223 T C 1.247 175.977 174.700 0.050 0.000 1.040 223 T CA 1.323 63.404 62.100 -0.031 0.000 1.141 223 T CB -0.522 68.308 68.868 -0.063 0.000 0.868 223 T HN 0.510 nan 8.240 nan 0.000 0.444 224 F N 1.473 121.437 119.950 0.023 0.000 2.102 224 F HA -0.152 4.377 4.527 0.002 0.000 0.298 224 F C 2.417 178.208 175.800 -0.016 0.000 1.105 224 F CA 0.742 58.764 58.000 0.036 0.000 1.239 224 F CB -0.857 38.242 39.000 0.165 0.000 0.991 224 F HN 0.143 nan 8.300 nan 0.000 0.474 225 C N 1.042 120.285 119.300 -0.095 0.000 2.413 225 C HA -0.123 4.338 4.460 0.002 0.000 0.276 225 C C 3.107 178.048 174.990 -0.083 0.000 1.248 225 C CA 1.328 60.236 59.018 -0.183 0.000 1.742 225 C CB -1.974 25.784 27.740 0.031 0.000 2.017 225 C HN 0.754 nan 8.230 nan 0.000 0.481 226 G N 0.554 109.341 108.800 -0.023 0.000 2.414 226 G HA2 -0.123 3.839 3.960 0.002 0.000 0.215 226 G HA3 -0.123 3.839 3.960 0.002 0.000 0.215 226 G C 1.382 176.301 174.900 0.031 0.000 1.188 226 G CA 0.782 45.910 45.100 0.047 0.000 0.783 226 G HN 0.371 nan 8.290 nan 0.000 0.537 227 I N 1.953 122.505 120.570 -0.030 0.000 2.179 227 I HA -0.108 4.064 4.170 0.002 0.000 0.242 227 I C 3.282 179.345 176.117 -0.090 0.000 1.088 227 I CA 1.235 62.525 61.300 -0.018 0.000 1.357 227 I CB -1.390 36.589 38.000 -0.035 0.000 1.051 227 I HN 0.260 nan 8.210 nan 0.000 0.409 228 A N 0.380 123.021 122.820 -0.299 0.000 1.902 228 A HA -0.179 4.142 4.320 0.002 0.000 0.217 228 A C 2.605 180.191 177.584 0.003 0.000 1.181 228 A CA 2.110 53.992 52.037 -0.258 0.000 0.623 228 A CB -0.763 17.799 19.000 -0.731 0.000 0.818 228 A HN 0.418 nan 8.150 nan 0.000 0.443 229 S N -0.088 115.653 115.700 0.069 0.000 2.359 229 S HA -0.121 4.350 4.470 0.002 0.000 0.224 229 S C 1.838 176.490 174.600 0.087 0.000 1.035 229 S CA 1.527 59.809 58.200 0.137 0.000 1.018 229 S CB -0.490 62.804 63.200 0.157 0.000 0.876 229 S HN 0.520 nan 8.310 nan 0.000 0.448 230 L N 0.644 121.895 121.223 0.047 0.000 2.042 230 L HA -0.180 4.161 4.340 0.002 0.000 0.210 230 L C 2.585 179.458 176.870 0.006 0.000 1.076 230 L CA 0.915 55.761 54.840 0.009 0.000 0.749 230 L CB -0.748 41.324 42.059 0.022 0.000 0.893 230 L HN 0.431 nan 8.230 nan 0.000 0.432 231 C N -0.654 118.662 119.300 0.027 0.000 2.446 231 C HA -0.130 4.331 4.460 0.002 0.000 0.277 231 C C 2.644 177.667 174.990 0.056 0.000 1.275 231 C CA 0.108 59.147 59.018 0.035 0.000 1.727 231 C CB -0.698 27.060 27.740 0.030 0.000 2.010 231 C HN 0.393 nan 8.230 nan 0.000 0.486 232 L N 0.188 121.453 121.223 0.070 0.000 2.131 232 L HA -0.071 4.271 4.340 0.002 0.000 0.210 232 L C 2.339 179.368 176.870 0.265 0.000 1.092 232 L CA 1.804 56.721 54.840 0.128 0.000 0.759 232 L CB -0.718 41.431 42.059 0.149 0.000 0.903 232 L HN 0.362 nan 8.230 nan 0.000 0.435 233 M N -1.651 117.940 119.600 -0.015 0.000 2.506 233 M HA 0.152 4.634 4.480 0.002 0.000 0.260 233 M C 1.230 177.388 176.300 -0.238 0.000 1.104 233 M CA 0.785 55.821 55.300 -0.440 0.000 1.112 233 M CB -0.135 32.185 32.600 -0.467 0.000 1.401 233 M HN 0.355 nan 8.290 nan 0.000 0.473 234 G N 1.934 110.697 108.800 -0.061 0.000 2.225 234 G HA2 -0.261 3.701 3.960 0.002 0.000 0.264 234 G HA3 -0.261 3.701 3.960 0.002 0.000 0.264 234 G C 0.306 175.171 174.900 -0.060 0.000 1.060 234 G CA 0.274 45.360 45.100 -0.024 0.000 0.833 234 G HN 0.529 nan 8.290 nan 0.000 0.498 235 K N -0.671 119.685 120.400 -0.073 0.000 2.564 235 K HA 0.353 4.674 4.320 0.002 0.000 0.201 235 K C 1.989 178.555 176.600 -0.058 0.000 1.086 235 K CA -0.512 55.727 56.287 -0.080 0.000 1.062 235 K CB 0.360 32.784 32.500 -0.126 0.000 0.849 235 K HN 0.323 nan 8.250 nan 0.000 0.529 236 L N 1.547 122.764 121.223 -0.010 0.000 1.971 236 L HA -0.232 4.110 4.340 0.002 0.000 0.215 236 L C 1.810 178.713 176.870 0.055 0.000 1.072 236 L CA 1.895 56.761 54.840 0.044 0.000 0.758 236 L CB 0.009 42.113 42.059 0.075 0.000 0.889 236 L HN 0.328 nan 8.230 nan 0.000 0.433 237 E N -0.323 119.902 120.200 0.042 0.000 2.118 237 E HA -0.304 4.047 4.350 0.002 0.000 0.195 237 E C 1.880 178.490 176.600 0.017 0.000 0.992 237 E CA 1.431 57.857 56.400 0.044 0.000 0.804 237 E CB -0.176 29.543 29.700 0.032 0.000 0.741 237 E HN 0.620 nan 8.360 nan 0.000 0.458 238 E N 0.721 120.909 120.200 -0.020 0.000 2.152 238 E HA -0.103 4.248 4.350 0.002 0.000 0.192 238 E C 2.014 178.562 176.600 -0.087 0.000 0.983 238 E CA 0.720 57.092 56.400 -0.046 0.000 0.818 238 E CB 0.345 30.009 29.700 -0.059 0.000 0.758 238 E HN 0.016 nan 8.360 nan 0.000 0.467 239 V N 0.286 120.106 119.914 -0.156 0.000 2.535 239 V HA 0.010 4.131 4.120 0.002 0.000 0.246 239 V C 0.683 176.538 176.094 -0.398 0.000 1.045 239 V CA 0.952 63.051 62.300 -0.335 0.000 1.058 239 V CB -0.166 31.342 31.823 -0.525 0.000 0.689 239 V HN 0.108 nan 8.190 nan 0.000 0.461 240 F N 0.489 120.431 119.950 -0.012 0.000 2.469 240 F HA 0.482 5.010 4.527 0.002 0.000 0.332 240 F C 0.861 176.658 175.800 -0.004 0.000 1.103 240 F CA -0.760 57.234 58.000 -0.011 0.000 0.979 240 F CB 1.589 40.581 39.000 -0.012 0.000 1.137 240 F HN -0.024 nan 8.300 nan 0.000 0.463 241 S N 1.031 116.859 115.700 0.213 0.000 2.608 241 S HA 0.061 4.533 4.470 0.002 0.000 0.261 241 S C 1.131 175.790 174.600 0.100 0.000 1.314 241 S CA -0.401 57.868 58.200 0.114 0.000 0.992 241 S CB 1.222 64.472 63.200 0.083 0.000 0.935 241 S HN 0.877 nan 8.310 nan 0.000 0.564 242 E N 0.880 121.119 120.200 0.065 0.000 2.085 242 E HA -0.235 4.116 4.350 0.002 0.000 0.194 242 E C 1.964 178.587 176.600 0.037 0.000 0.994 242 E CA 1.361 57.791 56.400 0.050 0.000 0.801 242 E CB -0.192 29.531 29.700 0.038 0.000 0.743 242 E HN 0.752 nan 8.360 nan 0.000 0.453 243 K N 0.390 120.810 120.400 0.034 0.000 2.057 243 K HA -0.211 4.110 4.320 0.002 0.000 0.207 243 K C 2.012 178.617 176.600 0.009 0.000 1.049 243 K CA 1.743 58.043 56.287 0.022 0.000 0.931 243 K CB -0.003 32.511 32.500 0.023 0.000 0.714 243 K HN 0.170 nan 8.250 nan 0.000 0.440 244 E N 0.591 120.802 120.200 0.019 0.000 2.051 244 E HA -0.177 4.174 4.350 0.002 0.000 0.192 244 E C 2.090 178.619 176.600 -0.119 0.000 0.991 244 E CA 1.269 57.649 56.400 -0.034 0.000 0.799 244 E CB -0.060 29.674 29.700 0.056 0.000 0.748 244 E HN 0.273 nan 8.360 nan 0.000 0.449 245 L N 1.216 122.405 121.223 -0.057 0.000 2.131 245 L HA -0.195 4.147 4.340 0.002 0.000 0.210 245 L C 2.023 178.872 176.870 -0.036 0.000 1.092 245 L CA 0.614 55.413 54.840 -0.067 0.000 0.759 245 L CB -0.382 41.690 42.059 0.022 0.000 0.903 245 L HN 0.152 nan 8.230 nan 0.000 0.435 246 N N 0.218 118.912 118.700 -0.011 0.000 2.188 246 N HA -0.127 4.614 4.740 0.002 0.000 0.184 246 N C 1.917 177.429 175.510 0.003 0.000 1.018 246 N CA 1.080 54.133 53.050 0.005 0.000 0.858 246 N CB -0.126 38.366 38.487 0.009 0.000 0.989 246 N HN 0.320 nan 8.380 nan 0.000 0.426 247 R N 0.319 120.807 120.500 -0.019 0.000 2.073 247 R HA 0.121 4.463 4.340 0.002 0.000 0.229 247 R C 2.198 178.500 176.300 0.004 0.000 1.120 247 R CA 0.710 56.804 56.100 -0.009 0.000 0.967 247 R CB -0.189 30.090 30.300 -0.035 0.000 0.862 247 R HN 0.227 nan 8.270 nan 0.000 0.436 248 I N 1.029 121.557 120.570 -0.069 0.000 2.252 248 I HA -0.272 3.900 4.170 0.002 0.000 0.245 248 I C 2.024 178.188 176.117 0.079 0.000 1.102 248 I CA 1.415 62.679 61.300 -0.060 0.000 1.385 248 I CB -0.223 37.640 38.000 -0.229 0.000 1.064 248 I HN 0.114 nan 8.210 nan 0.000 0.414 249 K N 0.467 120.899 120.400 0.053 0.000 2.063 249 K HA -0.244 4.077 4.320 0.002 0.000 0.208 249 K C 2.241 178.907 176.600 0.111 0.000 1.048 249 K CA 1.480 57.823 56.287 0.094 0.000 0.928 249 K CB -0.236 32.310 32.500 0.078 0.000 0.713 249 K HN 0.066 nan 8.250 nan 0.000 0.442 250 R N 0.516 121.069 120.500 0.089 0.000 2.083 250 R HA -0.187 4.154 4.340 0.002 0.000 0.237 250 R C 1.867 178.222 176.300 0.093 0.000 1.137 250 R CA 1.695 57.838 56.100 0.072 0.000 0.951 250 R CB -0.802 29.530 30.300 0.054 0.000 0.851 250 R HN 0.400 nan 8.270 nan 0.000 0.434 251 W N -0.103 121.179 121.300 -0.029 0.000 2.335 251 W HA -0.235 4.426 4.660 0.002 0.000 0.311 251 W C 2.038 178.557 176.519 0.001 0.000 1.213 251 W CA 1.795 59.120 57.345 -0.033 0.000 1.274 251 W CB -0.556 28.860 29.460 -0.073 0.000 1.148 251 W HN 0.167 nan 8.180 nan 0.000 0.498 252 C N -0.279 119.204 119.300 0.304 0.000 2.453 252 C HA -0.182 4.280 4.460 0.002 0.000 0.277 252 C C 2.672 177.707 174.990 0.075 0.000 1.262 252 C CA 1.155 60.297 59.018 0.207 0.000 1.718 252 C CB -1.518 26.386 27.740 0.274 0.000 2.031 252 C HN 0.441 nan 8.230 nan 0.000 0.480 253 I N 0.521 121.144 120.570 0.089 0.000 2.756 253 I HA -0.143 4.028 4.170 0.002 0.000 0.262 253 I C 2.001 178.094 176.117 -0.040 0.000 1.225 253 I CA 1.092 62.442 61.300 0.083 0.000 1.472 253 I CB -0.068 37.985 38.000 0.087 0.000 1.094 253 I HN 0.276 nan 8.210 nan 0.000 0.454 254 M N -0.294 119.228 119.600 -0.130 0.000 2.619 254 M HA -0.010 4.471 4.480 0.002 0.000 0.251 254 M C 1.719 177.850 176.300 -0.282 0.000 1.106 254 M CA 0.815 55.991 55.300 -0.207 0.000 1.086 254 M CB -0.823 31.634 32.600 -0.237 0.000 1.465 254 M HN 0.150 nan 8.290 nan 0.000 0.506 255 R N 0.387 120.723 120.500 -0.273 0.000 2.235 255 R HA 0.026 4.367 4.340 0.002 0.000 0.213 255 R C 0.885 176.889 176.300 -0.493 0.000 1.059 255 R CA 0.216 56.154 56.100 -0.269 0.000 0.997 255 R CB -0.620 29.651 30.300 -0.047 0.000 0.884 255 R HN 0.539 nan 8.270 nan 0.000 0.462 256 Q N 1.076 120.561 119.800 -0.524 0.000 2.296 256 Q HA -0.009 4.332 4.340 0.002 0.000 0.262 256 Q C 0.201 175.846 176.000 -0.592 0.000 0.981 256 Q CA 0.040 55.316 55.803 -0.879 0.000 0.905 256 Q CB 0.876 29.049 28.738 -0.941 0.000 1.186 256 Q HN -0.011 nan 8.270 nan 0.000 0.399 257 Q N 2.692 122.148 119.800 -0.573 0.000 2.511 257 Q HA 0.100 4.441 4.340 0.002 0.000 0.236 257 Q C 0.228 176.059 176.000 -0.282 0.000 0.893 257 Q CA 1.364 56.932 55.803 -0.391 0.000 0.947 257 Q CB 0.564 29.069 28.738 -0.388 0.000 1.110 257 Q HN 0.851 nan 8.270 nan 0.000 0.591 258 N N -0.975 117.543 118.700 -0.303 0.000 2.626 258 N HA 0.070 4.812 4.740 0.002 0.000 0.339 258 N C 0.783 176.185 175.510 -0.180 0.000 0.610 258 N CA 0.458 53.410 53.050 -0.163 0.000 1.434 258 N CB -0.273 38.181 38.487 -0.056 0.000 1.551 258 N HN 0.100 nan 8.380 nan 0.000 1.653 259 G N -0.983 107.647 108.800 -0.283 0.000 2.641 259 G HA2 0.557 4.518 3.960 0.002 0.000 0.239 259 G HA3 0.557 4.518 3.960 0.002 0.000 0.239 259 G C -1.404 173.326 174.900 -0.284 0.000 1.402 259 G CA -0.282 44.706 45.100 -0.186 0.000 1.046 259 G HN 0.127 nan 8.290 nan 0.000 0.565 260 Y N -0.664 119.577 120.300 -0.099 0.000 2.485 260 Y HA 0.444 4.995 4.550 0.002 0.000 0.345 260 Y C 0.670 176.605 175.900 0.059 0.000 0.998 260 Y CA -0.869 57.201 58.100 -0.050 0.000 1.059 260 Y CB 1.712 40.221 38.460 0.082 0.000 1.234 260 Y HN 0.718 nan 8.280 nan 0.000 0.461 261 H N -1.505 117.571 119.070 0.009 0.000 2.615 261 H HA 0.606 5.163 4.556 0.002 0.000 0.346 261 H C 0.500 175.458 175.328 -0.617 0.000 1.200 261 H CA -0.835 55.132 56.048 -0.135 0.000 1.264 261 H CB 1.922 31.602 29.762 -0.138 0.000 1.699 261 H HN 0.812 nan 8.280 nan 0.000 0.567 262 G N 0.080 108.262 108.800 -1.029 0.000 2.551 262 G HA2 0.072 4.034 3.960 0.002 0.000 0.216 262 G HA3 0.072 4.034 3.960 0.002 0.000 0.216 262 G C 0.231 174.639 174.900 -0.820 0.000 1.137 262 G CA -0.217 43.933 45.100 -1.583 0.000 0.798 262 G HN 0.758 nan 8.290 nan 0.000 0.536 263 R N -1.388 118.683 120.500 -0.715 0.000 2.690 263 R HA 0.379 4.721 4.340 0.002 0.000 0.269 263 R C -3.498 172.290 176.300 -0.853 0.000 1.037 263 R CA -2.023 53.776 56.100 -0.501 0.000 0.877 263 R CB 0.262 30.470 30.300 -0.154 0.000 1.255 263 R HN -0.243 nan 8.270 nan 0.000 0.467 264 P HA -0.090 nan 4.420 nan 0.000 0.263 264 P C -0.490 176.653 177.300 -0.261 0.000 1.168 264 P CA 0.471 63.366 63.100 -0.341 0.000 0.759 264 P CB 0.221 31.848 31.700 -0.122 0.000 0.782 265 N N -0.721 117.908 118.700 -0.119 0.000 2.741 265 N HA -0.177 4.564 4.740 0.002 0.000 0.251 265 N C -0.304 175.174 175.510 -0.053 0.000 1.112 265 N CA 1.315 54.340 53.050 -0.042 0.000 0.750 265 N CB -0.697 37.774 38.487 -0.027 0.000 1.119 265 N HN 0.486 nan 8.380 nan 0.000 0.561 266 K N 0.534 120.861 120.400 -0.122 0.000 2.208 266 K HA 0.484 4.806 4.320 0.002 0.000 0.247 266 K C -2.181 174.477 176.600 0.096 0.000 0.953 266 K CA -1.467 54.795 56.287 -0.043 0.000 0.837 266 K CB 1.836 34.270 32.500 -0.110 0.000 1.131 266 K HN -0.085 nan 8.250 nan 0.000 0.431 267 P HA 0.017 nan 4.420 nan 0.000 0.272 267 P C 0.160 177.610 177.300 0.250 0.000 1.223 267 P CA -0.453 62.720 63.100 0.122 0.000 0.784 267 P CB 0.512 32.219 31.700 0.011 0.000 0.923 268 V N -1.002 119.009 119.914 0.163 0.000 3.096 268 V HA 0.374 4.496 4.120 0.002 0.000 0.306 268 V C 0.021 176.362 176.094 0.412 0.000 1.088 268 V CA 0.002 62.392 62.300 0.150 0.000 1.129 268 V CB 0.493 32.138 31.823 -0.296 0.000 1.014 268 V HN 0.620 nan 8.190 nan 0.000 0.486 269 D N 1.532 122.201 120.400 0.450 0.000 2.970 269 D HA 0.315 4.957 4.640 0.002 0.000 0.230 269 D C 0.801 177.325 176.300 0.373 0.000 1.276 269 D CA -0.009 54.245 54.000 0.424 0.000 0.910 269 D CB 2.202 43.246 40.800 0.406 0.000 1.590 269 D HN 0.646 nan 8.370 nan 0.000 0.551 270 T N 1.927 116.737 114.554 0.426 0.000 2.653 270 T HA -0.249 4.103 4.350 0.002 0.000 0.267 270 T C 2.022 176.796 174.700 0.124 0.000 1.037 270 T CA 2.415 64.723 62.100 0.348 0.000 1.159 270 T CB -0.646 68.366 68.868 0.240 0.000 0.859 270 T HN 0.788 nan 8.240 nan 0.000 0.449 271 C N 0.437 119.742 119.300 0.008 0.000 2.410 271 C HA -0.073 4.388 4.460 0.002 0.000 0.281 271 C C 2.218 177.006 174.990 -0.336 0.000 1.318 271 C CA -0.101 58.722 59.018 -0.326 0.000 1.776 271 C CB -2.078 25.298 27.740 -0.606 0.000 1.942 271 C HN 0.508 nan 8.230 nan 0.000 0.508 272 Y N 2.039 122.447 120.300 0.179 0.000 2.509 272 Y HA 0.005 4.557 4.550 0.002 0.000 0.293 272 Y C 2.836 178.697 175.900 -0.065 0.000 1.133 272 Y CA 1.264 59.479 58.100 0.191 0.000 1.283 272 Y CB -0.794 37.807 38.460 0.236 0.000 1.001 272 Y HN 0.356 nan 8.280 nan 0.000 0.555 273 S N -0.454 115.263 115.700 0.028 0.000 2.419 273 S HA -0.168 4.304 4.470 0.002 0.000 0.233 273 S C 1.696 176.112 174.600 -0.307 0.000 1.016 273 S CA 1.201 59.305 58.200 -0.161 0.000 0.974 273 S CB -0.389 62.827 63.200 0.025 0.000 0.786 273 S HN 0.541 nan 8.310 nan 0.000 0.492 274 F N 0.079 119.792 119.950 -0.396 0.000 2.315 274 F HA 0.197 4.725 4.527 0.002 0.000 0.284 274 F C 1.570 177.090 175.800 -0.467 0.000 1.049 274 F CA 0.086 57.795 58.000 -0.484 0.000 1.323 274 F CB -0.586 38.115 39.000 -0.500 0.000 1.113 274 F HN 0.156 nan 8.300 nan 0.000 0.544 275 W N 0.476 121.519 121.300 -0.429 0.000 2.302 275 W HA -0.238 4.423 4.660 0.002 0.000 0.320 275 W C 2.341 178.699 176.519 -0.269 0.000 1.241 275 W CA 1.783 58.853 57.345 -0.459 0.000 1.264 275 W CB -1.020 28.376 29.460 -0.107 0.000 1.154 275 W HN -0.169 nan 8.180 nan 0.000 0.483 276 V N 0.244 120.196 119.914 0.064 0.000 2.346 276 V HA -0.084 4.037 4.120 0.002 0.000 0.244 276 V C 2.391 178.354 176.094 -0.218 0.000 1.037 276 V CA 1.919 64.216 62.300 -0.004 0.000 1.029 276 V CB -1.644 30.198 31.823 0.031 0.000 0.663 276 V HN 0.375 nan 8.190 nan 0.000 0.454 277 G N 0.157 108.644 108.800 -0.522 0.000 2.469 277 G HA2 -0.266 3.695 3.960 0.002 0.000 0.219 277 G HA3 -0.266 3.695 3.960 0.002 0.000 0.219 277 G C 1.737 176.247 174.900 -0.651 0.000 1.150 277 G CA 1.220 45.958 45.100 -0.604 0.000 0.763 277 G HN 0.608 nan 8.290 nan 0.000 0.561 278 A N 0.001 122.388 122.820 -0.721 0.000 1.969 278 A HA 0.038 4.359 4.320 0.002 0.000 0.218 278 A C 2.523 180.002 177.584 -0.175 0.000 1.169 278 A CA 2.341 54.021 52.037 -0.595 0.000 0.635 278 A CB -0.719 17.627 19.000 -1.090 0.000 0.810 278 A HN 0.313 nan 8.150 nan 0.000 0.445 279 T N 0.503 115.037 114.554 -0.033 0.000 2.737 279 T HA -0.063 4.289 4.350 0.002 0.000 0.265 279 T C 1.808 176.538 174.700 0.049 0.000 1.038 279 T CA 1.392 63.536 62.100 0.073 0.000 1.144 279 T CB -0.375 68.581 68.868 0.148 0.000 0.866 279 T HN 0.369 nan 8.240 nan 0.000 0.434 280 L N 0.692 121.952 121.223 0.061 0.000 2.079 280 L HA -0.126 4.216 4.340 0.002 0.000 0.210 280 L C 2.627 179.581 176.870 0.141 0.000 1.081 280 L CA 1.227 56.160 54.840 0.155 0.000 0.752 280 L CB -0.425 41.818 42.059 0.307 0.000 0.896 280 L HN 0.185 nan 8.230 nan 0.000 0.433 281 K N 0.819 121.235 120.400 0.025 0.000 2.057 281 K HA -0.142 4.179 4.320 0.002 0.000 0.207 281 K C 1.947 178.557 176.600 0.016 0.000 1.049 281 K CA 1.454 57.748 56.287 0.011 0.000 0.931 281 K CB -0.294 32.104 32.500 -0.170 0.000 0.714 281 K HN 0.173 nan 8.250 nan 0.000 0.440 282 L N 0.308 121.531 121.223 0.000 0.000 2.201 282 L HA -0.072 4.269 4.340 0.002 0.000 0.212 282 L C 1.736 178.628 176.870 0.037 0.000 1.105 282 L CA 0.778 55.625 54.840 0.012 0.000 0.775 282 L CB -0.220 41.842 42.059 0.005 0.000 0.913 282 L HN 0.168 nan 8.230 nan 0.000 0.440 283 L N -0.706 120.552 121.223 0.058 0.000 2.611 283 L HA 0.035 4.377 4.340 0.002 0.000 0.229 283 L C 0.531 177.455 176.870 0.089 0.000 1.137 283 L CA -0.123 54.761 54.840 0.073 0.000 0.901 283 L CB -0.081 42.026 42.059 0.080 0.000 1.098 283 L HN 0.125 nan 8.230 nan 0.000 0.456 284 K N 0.273 120.723 120.400 0.082 0.000 3.160 284 K HA -0.196 4.125 4.320 0.002 0.000 0.280 284 K C 0.496 177.151 176.600 0.092 0.000 1.154 284 K CA 1.138 57.471 56.287 0.078 0.000 0.822 284 K CB -1.628 30.913 32.500 0.068 0.000 1.239 284 K HN 0.659 nan 8.250 nan 0.000 0.489 285 I N -4.839 115.814 120.570 0.139 0.000 4.160 285 I HA 0.263 4.435 4.170 0.002 0.000 0.325 285 I C 1.245 177.455 176.117 0.156 0.000 1.455 285 I CA -0.695 60.712 61.300 0.178 0.000 1.142 285 I CB 0.152 38.345 38.000 0.322 0.000 1.262 285 I HN -0.020 nan 8.210 nan 0.000 0.483 286 F N 3.398 123.365 119.950 0.028 0.000 2.269 286 F HA -0.181 4.347 4.527 0.002 0.000 0.301 286 F C 2.539 178.416 175.800 0.129 0.000 1.082 286 F CA 2.321 60.374 58.000 0.089 0.000 1.360 286 F CB -0.086 38.946 39.000 0.052 0.000 1.041 286 F HN 0.377 nan 8.300 nan 0.000 0.512 287 Q N -1.301 118.417 119.800 -0.136 0.000 2.297 287 Q HA -0.250 4.091 4.340 0.002 0.000 0.208 287 Q C 1.089 176.783 176.000 -0.510 0.000 0.981 287 Q CA 1.917 57.493 55.803 -0.379 0.000 0.876 287 Q CB -1.065 27.361 28.738 -0.520 0.000 0.921 287 Q HN 0.619 nan 8.270 nan 0.000 0.446 288 Y N 2.067 122.299 120.300 -0.113 0.000 2.468 288 Y HA 0.135 4.686 4.550 0.002 0.000 0.268 288 Y C 1.106 176.934 175.900 -0.120 0.000 1.177 288 Y CA -0.140 57.890 58.100 -0.117 0.000 1.265 288 Y CB 0.512 38.940 38.460 -0.053 0.000 1.103 288 Y HN 0.164 nan 8.280 nan 0.000 0.522 289 T N -1.954 112.569 114.554 -0.051 0.000 2.824 289 T HA 0.081 4.432 4.350 0.002 0.000 0.277 289 T C 0.058 174.751 174.700 -0.010 0.000 0.975 289 T CA -0.980 61.110 62.100 -0.016 0.000 0.966 289 T CB 1.220 70.074 68.868 -0.024 0.000 1.054 289 T HN 0.101 nan 8.240 nan 0.000 0.533 290 N N 0.608 119.329 118.700 0.035 0.000 2.437 290 N HA 0.144 4.886 4.740 0.002 0.000 0.243 290 N C 0.372 176.013 175.510 0.217 0.000 1.041 290 N CA -0.451 52.633 53.050 0.056 0.000 0.940 290 N CB -0.087 38.401 38.487 0.002 0.000 1.133 290 N HN 0.709 nan 8.380 nan 0.000 0.506 291 F N 1.523 121.421 119.950 -0.087 0.000 2.113 291 F HA -0.144 4.384 4.527 0.002 0.000 0.297 291 F C 2.354 178.164 175.800 0.017 0.000 1.103 291 F CA 0.583 58.560 58.000 -0.039 0.000 1.248 291 F CB 0.198 39.169 39.000 -0.049 0.000 0.999 291 F HN 0.566 nan 8.300 nan 0.000 0.475 292 E N 1.287 121.616 120.200 0.216 0.000 2.049 292 E HA -0.262 4.089 4.350 0.002 0.000 0.198 292 E C 1.981 178.647 176.600 0.110 0.000 1.007 292 E CA 1.542 58.021 56.400 0.132 0.000 0.809 292 E CB -0.087 29.666 29.700 0.087 0.000 0.749 292 E HN 0.371 nan 8.360 nan 0.000 0.450 293 K N 0.176 120.631 120.400 0.092 0.000 2.148 293 K HA -0.148 4.173 4.320 0.002 0.000 0.204 293 K C 2.091 178.765 176.600 0.124 0.000 1.050 293 K CA 1.217 57.553 56.287 0.082 0.000 0.942 293 K CB -0.191 32.326 32.500 0.029 0.000 0.724 293 K HN 0.089 nan 8.250 nan 0.000 0.446 294 N N 1.667 120.449 118.700 0.137 0.000 2.106 294 N HA -0.168 4.573 4.740 0.002 0.000 0.188 294 N C 1.728 177.358 175.510 0.199 0.000 1.029 294 N CA 1.300 54.473 53.050 0.206 0.000 0.848 294 N CB -0.017 38.636 38.487 0.277 0.000 1.007 294 N HN 0.058 nan 8.380 nan 0.000 0.423 295 R N 0.071 120.648 120.500 0.130 0.000 2.083 295 R HA -0.058 4.283 4.340 0.002 0.000 0.237 295 R C 1.471 177.840 176.300 0.115 0.000 1.137 295 R CA 1.615 57.770 56.100 0.091 0.000 0.951 295 R CB -0.241 30.098 30.300 0.065 0.000 0.851 295 R HN 0.254 nan 8.270 nan 0.000 0.434 296 N N -0.172 118.602 118.700 0.123 0.000 2.104 296 N HA -0.216 4.525 4.740 0.002 0.000 0.190 296 N C 1.424 177.002 175.510 0.113 0.000 1.024 296 N CA 1.365 54.481 53.050 0.110 0.000 0.853 296 N CB -0.568 37.980 38.487 0.103 0.000 1.008 296 N HN 0.321 nan 8.380 nan 0.000 0.424 297 Y N 1.502 121.856 120.300 0.090 0.000 2.114 297 Y HA -0.060 4.491 4.550 0.002 0.000 0.284 297 Y C 2.172 178.155 175.900 0.138 0.000 1.143 297 Y CA 1.315 59.480 58.100 0.108 0.000 1.135 297 Y CB -0.442 38.082 38.460 0.106 0.000 0.980 297 Y HN -0.030 nan 8.280 nan 0.000 0.499 298 I N -0.051 120.584 120.570 0.108 0.000 2.118 298 I HA -0.387 3.784 4.170 0.002 0.000 0.241 298 I C 2.342 178.536 176.117 0.129 0.000 1.070 298 I CA 1.754 63.092 61.300 0.063 0.000 1.327 298 I CB -0.625 37.393 38.000 0.030 0.000 1.034 298 I HN 0.264 nan 8.210 nan 0.000 0.405 299 L N 0.510 121.829 121.223 0.160 0.000 2.191 299 L HA -0.179 4.162 4.340 0.002 0.000 0.212 299 L C 2.669 179.579 176.870 0.067 0.000 1.103 299 L CA 1.504 56.474 54.840 0.217 0.000 0.769 299 L CB -0.676 41.488 42.059 0.175 0.000 0.908 299 L HN 0.402 nan 8.230 nan 0.000 0.438 300 S N -1.528 114.142 115.700 -0.050 0.000 2.515 300 S HA -0.111 4.361 4.470 0.002 0.000 0.231 300 S C 1.714 176.239 174.600 -0.126 0.000 0.987 300 S CA 1.004 59.143 58.200 -0.101 0.000 0.936 300 S CB -0.589 62.526 63.200 -0.141 0.000 0.766 300 S HN 0.555 nan 8.310 nan 0.000 0.528 301 T N -1.826 112.656 114.554 -0.119 0.000 3.105 301 T HA 0.265 4.617 4.350 0.002 0.000 0.253 301 T C 0.359 175.045 174.700 -0.024 0.000 1.047 301 T CA -0.483 61.587 62.100 -0.050 0.000 0.944 301 T CB -0.253 68.597 68.868 -0.029 0.000 1.016 301 T HN 0.429 nan 8.240 nan 0.000 0.544 302 Q N 1.678 121.410 119.800 -0.114 0.000 2.332 302 Q HA 0.119 4.460 4.340 0.002 0.000 0.263 302 Q C -0.724 175.110 176.000 -0.277 0.000 0.979 302 Q CA -0.244 55.302 55.803 -0.428 0.000 0.885 302 Q CB 0.582 29.091 28.738 -0.383 0.000 1.218 302 Q HN 0.289 nan 8.270 nan 0.000 0.405 303 D N 3.215 123.422 120.400 -0.321 0.000 2.428 303 D HA 0.087 4.728 4.640 0.002 0.000 0.221 303 D C 0.334 176.502 176.300 -0.221 0.000 1.123 303 D CA -0.035 53.846 54.000 -0.199 0.000 0.869 303 D CB 0.602 41.305 40.800 -0.163 0.000 1.032 303 D HN 0.551 nan 8.370 nan 0.000 0.506 304 R N 2.487 122.884 120.500 -0.172 0.000 2.237 304 R HA -0.060 4.281 4.340 0.002 0.000 0.219 304 R C 1.541 177.750 176.300 -0.150 0.000 1.080 304 R CA 0.302 56.298 56.100 -0.174 0.000 0.995 304 R CB 0.405 30.631 30.300 -0.123 0.000 0.875 304 R HN 0.441 nan 8.270 nan 0.000 0.462 305 L N 0.281 121.435 121.223 -0.114 0.000 2.265 305 L HA 0.015 4.356 4.340 0.002 0.000 0.195 305 L C 1.986 178.807 176.870 -0.082 0.000 1.083 305 L CA 1.373 56.162 54.840 -0.085 0.000 0.798 305 L CB -0.330 41.699 42.059 -0.050 0.000 0.989 305 L HN 0.080 nan 8.230 nan 0.000 0.472 306 V N -1.496 118.380 119.914 -0.064 0.000 3.590 306 V HA 0.478 4.599 4.120 0.002 0.000 0.265 306 V C 0.898 177.001 176.094 0.016 0.000 1.239 306 V CA 0.545 62.842 62.300 -0.006 0.000 1.117 306 V CB -0.397 31.458 31.823 0.053 0.000 0.818 306 V HN 0.610 nan 8.190 nan 0.000 0.451 307 G N -0.562 108.142 108.800 -0.160 0.000 2.728 307 G HA2 0.383 4.344 3.960 0.002 0.000 0.294 307 G HA3 0.383 4.344 3.960 0.002 0.000 0.294 307 G C 0.579 175.119 174.900 -0.599 0.000 1.342 307 G CA -0.281 44.632 45.100 -0.312 0.000 0.866 307 G HN 2.475 nan 8.290 nan 0.000 0.534 308 G N -2.177 106.173 108.800 -0.750 0.000 2.828 308 G HA2 0.357 4.319 3.960 0.002 0.000 0.463 308 G HA3 0.357 4.319 3.960 0.002 0.000 0.463 308 G C -0.427 173.960 174.900 -0.856 0.000 1.394 308 G CA 0.310 44.559 45.100 -1.418 0.000 0.862 308 G HN 1.825 nan 8.290 nan 0.000 0.540 309 F N 0.078 119.710 119.950 -0.529 0.000 2.577 309 F HA 0.813 5.341 4.527 0.002 0.000 0.318 309 F C 0.843 176.546 175.800 -0.160 0.000 1.065 309 F CA 0.072 57.917 58.000 -0.260 0.000 0.929 309 F CB 2.111 40.992 39.000 -0.200 0.000 1.237 309 F HN 0.974 nan 8.300 nan 0.000 0.468 310 A N 1.673 124.528 122.820 0.058 0.000 2.284 310 A HA 0.538 4.860 4.320 0.002 0.000 0.317 310 A C 0.861 178.344 177.584 -0.169 0.000 1.120 310 A CA -0.617 51.376 52.037 -0.074 0.000 0.900 310 A CB 1.163 20.134 19.000 -0.047 0.000 1.319 310 A HN 0.861 nan 8.150 nan 0.000 0.494 311 K N -1.052 119.017 120.400 -0.551 0.000 2.243 311 K HA 0.026 4.347 4.320 0.002 0.000 0.201 311 K C -0.561 175.842 176.600 -0.328 0.000 1.051 311 K CA 0.533 56.437 56.287 -0.639 0.000 0.970 311 K CB 0.119 31.855 32.500 -1.274 0.000 0.755 311 K HN 0.610 nan 8.250 nan 0.000 0.465 312 W N 1.899 123.251 121.300 0.087 0.000 2.962 312 W HA 0.396 5.057 4.660 0.002 0.000 0.341 312 W C -2.674 173.863 176.519 0.030 0.000 1.155 312 W CA -3.037 54.390 57.345 0.136 0.000 1.165 312 W CB 0.176 29.711 29.460 0.124 0.000 1.435 312 W HN -0.237 nan 8.180 nan 0.000 0.546 313 P HA -0.017 nan 4.420 nan 0.000 0.269 313 P C -0.112 177.256 177.300 0.113 0.000 1.209 313 P CA 0.567 63.721 63.100 0.090 0.000 0.776 313 P CB 0.718 32.443 31.700 0.042 0.000 0.876 314 D N -1.953 118.486 120.400 0.064 0.000 2.772 314 D HA -0.141 4.500 4.640 0.002 0.000 0.233 314 D C 0.030 176.379 176.300 0.081 0.000 1.143 314 D CA 1.218 55.254 54.000 0.061 0.000 0.700 314 D CB -1.764 39.065 40.800 0.048 0.000 1.076 314 D HN 0.363 nan 8.370 nan 0.000 0.430 315 S N -1.721 114.040 115.700 0.102 0.000 2.638 315 S HA 0.434 4.906 4.470 0.002 0.000 0.302 315 S C -0.452 174.228 174.600 0.133 0.000 1.096 315 S CA -0.620 57.640 58.200 0.100 0.000 0.953 315 S CB 1.240 64.551 63.200 0.185 0.000 1.107 315 S HN 0.224 nan 8.310 nan 0.000 0.503 316 H N 2.345 121.446 119.070 0.052 0.000 2.803 316 H HA 0.271 4.828 4.556 0.002 0.000 0.330 316 H C -1.912 173.430 175.328 0.023 0.000 1.057 316 H CA -1.477 54.601 56.048 0.050 0.000 1.458 316 H CB 0.709 30.522 29.762 0.085 0.000 1.470 316 H HN 0.433 nan 8.280 nan 0.000 0.560 317 P HA 0.082 nan 4.420 nan 0.000 0.279 317 P C -1.101 176.318 177.300 0.197 0.000 1.252 317 P CA -0.448 62.688 63.100 0.060 0.000 0.811 317 P CB 1.621 33.255 31.700 -0.110 0.000 1.035 318 D N -1.036 119.501 120.400 0.228 0.000 2.596 318 D HA 0.455 5.096 4.640 0.002 0.000 0.262 318 D C 0.877 177.422 176.300 0.408 0.000 1.210 318 D CA -0.976 53.234 54.000 0.351 0.000 0.873 318 D CB 0.388 41.359 40.800 0.286 0.000 1.408 318 D HN 0.181 nan 8.370 nan 0.000 0.441 319 A N 0.317 123.387 122.820 0.417 0.000 1.908 319 A HA -0.142 4.180 4.320 0.002 0.000 0.218 319 A C 2.013 179.640 177.584 0.072 0.000 1.181 319 A CA 1.692 53.995 52.037 0.444 0.000 0.627 319 A CB -1.041 18.224 19.000 0.442 0.000 0.818 319 A HN 0.647 nan 8.150 nan 0.000 0.445 320 L N -1.438 119.673 121.223 -0.187 0.000 1.994 320 L HA -0.228 4.113 4.340 0.002 0.000 0.208 320 L C 2.486 179.154 176.870 -0.336 0.000 1.071 320 L CA 2.305 56.694 54.840 -0.750 0.000 0.745 320 L CB -0.386 41.486 42.059 -0.312 0.000 0.892 320 L HN 0.553 nan 8.230 nan 0.000 0.431 321 H N -0.713 118.329 119.070 -0.047 0.000 2.462 321 H HA 0.033 4.590 4.556 0.002 0.000 0.292 321 H C 2.126 177.418 175.328 -0.060 0.000 1.049 321 H CA 1.017 57.046 56.048 -0.031 0.000 1.334 321 H CB -0.126 29.616 29.762 -0.033 0.000 1.404 321 H HN 0.516 nan 8.280 nan 0.000 0.544 322 A N 0.211 123.076 122.820 0.075 0.000 1.873 322 A HA -0.210 4.111 4.320 0.002 0.000 0.215 322 A C 2.067 179.690 177.584 0.066 0.000 1.186 322 A CA 1.450 53.529 52.037 0.071 0.000 0.616 322 A CB -0.892 18.019 19.000 -0.148 0.000 0.823 322 A HN 0.512 nan 8.150 nan 0.000 0.442 323 Y N -0.585 119.678 120.300 -0.062 0.000 2.163 323 Y HA -0.164 4.387 4.550 0.002 0.000 0.288 323 Y C 1.919 177.454 175.900 -0.610 0.000 1.136 323 Y CA 1.721 59.640 58.100 -0.301 0.000 1.147 323 Y CB -0.536 37.569 38.460 -0.591 0.000 0.987 323 Y HN 0.275 nan 8.280 nan 0.000 0.509 324 F N -0.265 119.320 119.950 -0.610 0.000 2.234 324 F HA -0.019 4.510 4.527 0.002 0.000 0.299 324 F C 2.567 177.973 175.800 -0.656 0.000 1.087 324 F CA 1.105 58.632 58.000 -0.789 0.000 1.340 324 F CB -0.796 37.754 39.000 -0.749 0.000 1.031 324 F HN 0.133 nan 8.300 nan 0.000 0.500 325 G N 0.297 108.802 108.800 -0.493 0.000 2.402 325 G HA2 -0.203 3.758 3.960 0.002 0.000 0.216 325 G HA3 -0.203 3.758 3.960 0.002 0.000 0.216 325 G C 1.726 176.135 174.900 -0.819 0.000 1.162 325 G CA 0.777 45.423 45.100 -0.757 0.000 0.777 325 G HN 0.333 nan 8.290 nan 0.000 0.539 326 I N 0.260 120.388 120.570 -0.736 0.000 2.252 326 I HA -0.179 3.993 4.170 0.002 0.000 0.245 326 I C 2.688 178.504 176.117 -0.502 0.000 1.102 326 I CA 0.569 61.567 61.300 -0.504 0.000 1.385 326 I CB -0.153 37.721 38.000 -0.211 0.000 1.064 326 I HN 0.186 nan 8.210 nan 0.000 0.414 327 C N 0.685 119.593 119.300 -0.654 0.000 2.435 327 C HA -0.057 4.405 4.460 0.002 0.000 0.279 327 C C 2.908 177.730 174.990 -0.280 0.000 1.321 327 C CA 0.929 59.604 59.018 -0.570 0.000 1.752 327 C CB -1.648 25.475 27.740 -1.029 0.000 1.959 327 C HN 0.666 nan 8.230 nan 0.000 0.500 328 G N 0.260 108.892 108.800 -0.280 0.000 2.402 328 G HA2 -0.136 3.825 3.960 0.002 0.000 0.216 328 G HA3 -0.136 3.825 3.960 0.002 0.000 0.216 328 G C 1.414 176.167 174.900 -0.244 0.000 1.162 328 G CA 0.546 45.521 45.100 -0.208 0.000 0.777 328 G HN 0.340 nan 8.290 nan 0.000 0.539 329 L N 1.253 122.294 121.223 -0.303 0.000 2.083 329 L HA -0.001 4.341 4.340 0.002 0.000 0.209 329 L C 3.054 179.762 176.870 -0.271 0.000 1.083 329 L CA 1.878 56.539 54.840 -0.299 0.000 0.752 329 L CB -1.008 40.798 42.059 -0.421 0.000 0.899 329 L HN 0.334 nan 8.230 nan 0.000 0.433 330 S N -0.922 114.614 115.700 -0.272 0.000 2.382 330 S HA -0.160 4.311 4.470 0.002 0.000 0.228 330 S C 1.992 176.493 174.600 -0.165 0.000 1.027 330 S CA 0.766 58.842 58.200 -0.206 0.000 0.991 330 S CB -0.164 62.917 63.200 -0.199 0.000 0.823 330 S HN 0.254 nan 8.310 nan 0.000 0.469 331 L N 1.123 122.217 121.223 -0.215 0.000 2.191 331 L HA 0.172 4.513 4.340 0.002 0.000 0.212 331 L C 2.004 178.806 176.870 -0.114 0.000 1.103 331 L CA 1.641 56.314 54.840 -0.279 0.000 0.769 331 L CB -0.763 40.907 42.059 -0.648 0.000 0.908 331 L HN 0.473 nan 8.230 nan 0.000 0.438 332 M N -1.410 118.090 119.600 -0.167 0.000 2.419 332 M HA 0.099 4.580 4.480 0.002 0.000 0.252 332 M C -0.265 176.007 176.300 -0.046 0.000 1.143 332 M CA 0.025 55.161 55.300 -0.272 0.000 0.985 332 M CB 0.198 32.432 32.600 -0.609 0.000 1.489 332 M HN 0.067 nan 8.290 nan 0.000 0.484 333 E N 1.713 121.888 120.200 -0.042 0.000 2.302 333 E HA -0.185 4.166 4.350 0.002 0.000 0.186 333 E C -0.165 176.412 176.600 -0.039 0.000 1.444 333 E CA 0.206 56.595 56.400 -0.017 0.000 0.671 333 E CB -0.911 28.819 29.700 0.048 0.000 1.122 333 E HN 0.393 nan 8.360 nan 0.000 0.366 334 E N 0.772 120.905 120.200 -0.111 0.000 2.366 334 E HA 0.206 4.558 4.350 0.002 0.000 0.266 334 E C -0.431 176.110 176.600 -0.098 0.000 1.051 334 E CA -0.200 56.114 56.400 -0.143 0.000 0.884 334 E CB 1.159 30.670 29.700 -0.314 0.000 1.006 334 E HN 0.148 nan 8.360 nan 0.000 0.417 335 S N 2.795 118.468 115.700 -0.045 0.000 2.510 335 S HA 0.441 4.912 4.470 0.002 0.000 0.279 335 S C 0.847 175.467 174.600 0.035 0.000 1.284 335 S CA 0.718 58.922 58.200 0.007 0.000 1.059 335 S CB -0.221 63.002 63.200 0.039 0.000 0.901 335 S HN 0.951 nan 8.310 nan 0.000 0.491 336 G N 3.974 112.803 108.800 0.048 0.000 2.176 336 G HA2 -0.183 3.779 3.960 0.002 0.000 0.232 336 G HA3 -0.183 3.779 3.960 0.002 0.000 0.232 336 G C -0.017 174.940 174.900 0.095 0.000 0.986 336 G CA 0.114 45.275 45.100 0.102 0.000 0.643 336 G HN 0.712 nan 8.290 nan 0.000 0.522 337 I N 1.068 121.638 120.570 0.000 0.000 2.465 337 I HA 0.358 4.529 4.170 0.002 0.000 0.291 337 I C 0.970 177.065 176.117 -0.037 0.000 1.014 337 I CA -1.182 60.098 61.300 -0.032 0.000 1.093 337 I CB 1.692 39.590 38.000 -0.171 0.000 1.267 337 I HN 0.094 nan 8.210 nan 0.000 0.431 338 C N 4.288 123.575 119.300 -0.021 0.000 2.700 338 C HA 0.087 4.549 4.460 0.002 0.000 0.397 338 C C 0.946 175.914 174.990 -0.036 0.000 1.301 338 C CA -0.436 58.572 59.018 -0.018 0.000 2.219 338 C CB -0.019 27.716 27.740 -0.009 0.000 2.699 338 C HN 0.719 nan 8.230 nan 0.000 0.669 339 K N 0.949 121.338 120.400 -0.017 0.000 2.382 339 K HA 0.387 4.708 4.320 0.002 0.000 0.275 339 K C -0.516 176.082 176.600 -0.003 0.000 1.009 339 K CA -0.200 56.078 56.287 -0.016 0.000 0.970 339 K CB 0.537 33.038 32.500 0.002 0.000 0.934 339 K HN 0.546 nan 8.250 nan 0.000 0.479 340 V N 4.165 124.077 119.914 -0.005 0.000 2.630 340 V HA 0.155 4.276 4.120 0.002 0.000 0.305 340 V C -0.714 175.449 176.094 0.115 0.000 1.046 340 V CA -0.689 61.637 62.300 0.044 0.000 0.934 340 V CB 1.465 33.294 31.823 0.011 0.000 1.003 340 V HN 0.866 nan 8.190 nan 0.000 0.451 341 H N 8.271 127.393 119.070 0.088 0.000 2.761 341 H HA 0.375 4.932 4.556 0.002 0.000 0.284 341 H C -1.882 173.561 175.328 0.191 0.000 1.105 341 H CA -1.958 54.157 56.048 0.113 0.000 1.352 341 H CB 1.816 31.646 29.762 0.112 0.000 1.423 341 H HN 0.504 nan 8.280 nan 0.000 0.464 342 P HA -0.161 nan 4.420 nan 0.000 0.215 342 P C 1.125 178.729 177.300 0.507 0.000 1.153 342 P CA 1.636 64.913 63.100 0.296 0.000 0.853 342 P CB 0.255 31.979 31.700 0.041 0.000 0.788 343 A N -0.732 122.356 122.820 0.448 0.000 1.929 343 A HA -0.058 4.263 4.320 0.002 0.000 0.216 343 A C 2.167 180.064 177.584 0.522 0.000 1.176 343 A CA 1.045 53.329 52.037 0.412 0.000 0.628 343 A CB -1.338 17.807 19.000 0.241 0.000 0.816 343 A HN 0.156 nan 8.150 nan 0.000 0.444 344 L N -0.894 120.603 121.223 0.457 0.000 2.446 344 L HA 0.162 4.503 4.340 0.002 0.000 0.219 344 L C 0.691 177.820 176.870 0.431 0.000 1.116 344 L CA 1.084 56.034 54.840 0.182 0.000 0.844 344 L CB -0.728 41.095 42.059 -0.394 0.000 0.970 344 L HN 0.592 nan 8.230 nan 0.000 0.457 345 N N -0.548 118.487 118.700 0.558 0.000 2.758 345 N HA -0.174 4.567 4.740 0.002 0.000 0.248 345 N C -0.676 175.058 175.510 0.374 0.000 1.076 345 N CA 0.956 54.303 53.050 0.494 0.000 0.696 345 N CB -1.217 37.654 38.487 0.640 0.000 0.979 345 N HN 0.256 nan 8.380 nan 0.000 0.550 346 V N -3.586 116.491 119.914 0.271 0.000 3.160 346 V HA 0.860 4.981 4.120 0.002 0.000 0.310 346 V C 0.631 176.800 176.094 0.125 0.000 1.181 346 V CA -0.390 62.019 62.300 0.183 0.000 1.047 346 V CB 1.448 33.357 31.823 0.143 0.000 1.068 346 V HN 0.464 nan 8.190 nan 0.000 0.441 347 S N 0.159 115.895 115.700 0.061 0.000 2.584 347 S HA 0.179 4.650 4.470 0.002 0.000 0.270 347 S C 1.324 175.972 174.600 0.080 0.000 1.346 347 S CA 0.409 58.636 58.200 0.045 0.000 1.018 347 S CB 0.875 64.078 63.200 0.005 0.000 0.899 347 S HN 1.753 nan 8.310 nan 0.000 0.542 348 T N -0.436 114.168 114.554 0.083 0.000 2.881 348 T HA -0.163 4.189 4.350 0.002 0.000 0.270 348 T C 1.762 176.499 174.700 0.062 0.000 1.068 348 T CA 1.074 63.235 62.100 0.102 0.000 1.131 348 T CB -0.464 68.450 68.868 0.078 0.000 0.871 348 T HN 0.732 nan 8.240 nan 0.000 0.479 349 R N 1.212 121.732 120.500 0.033 0.000 2.083 349 R HA -0.135 4.206 4.340 0.002 0.000 0.237 349 R C 2.313 178.615 176.300 0.003 0.000 1.137 349 R CA 2.067 58.175 56.100 0.013 0.000 0.951 349 R CB -0.952 29.349 30.300 0.003 0.000 0.851 349 R HN 0.419 nan 8.270 nan 0.000 0.434 350 T N 0.378 114.934 114.554 0.004 0.000 2.746 350 T HA -0.149 4.203 4.350 0.002 0.000 0.267 350 T C 1.896 176.584 174.700 -0.019 0.000 1.039 350 T CA 1.689 63.782 62.100 -0.013 0.000 1.142 350 T CB -0.268 68.596 68.868 -0.006 0.000 0.866 350 T HN 0.548 nan 8.240 nan 0.000 0.444 351 S N 1.595 117.305 115.700 0.017 0.000 2.402 351 S HA -0.090 4.381 4.470 0.002 0.000 0.229 351 S C 1.878 176.482 174.600 0.007 0.000 1.021 351 S CA 1.008 59.219 58.200 0.019 0.000 0.974 351 S CB -0.378 62.900 63.200 0.130 0.000 0.800 351 S HN 0.559 nan 8.310 nan 0.000 0.484 352 E N 0.736 120.946 120.200 0.017 0.000 2.107 352 E HA -0.027 4.325 4.350 0.002 0.000 0.191 352 E C 2.399 178.961 176.600 -0.063 0.000 0.982 352 E CA 0.499 56.895 56.400 -0.006 0.000 0.809 352 E CB -0.114 29.592 29.700 0.010 0.000 0.756 352 E HN 0.268 nan 8.360 nan 0.000 0.459 353 R N 1.137 121.595 120.500 -0.070 0.000 2.096 353 R HA -0.136 4.205 4.340 0.002 0.000 0.235 353 R C 2.259 178.447 176.300 -0.186 0.000 1.127 353 R CA 0.889 56.929 56.100 -0.101 0.000 0.968 353 R CB -0.555 29.700 30.300 -0.076 0.000 0.861 353 R HN 0.218 nan 8.270 nan 0.000 0.440 354 L N 0.911 122.001 121.223 -0.221 0.000 2.093 354 L HA -0.103 4.238 4.340 0.002 0.000 0.208 354 L C 2.674 179.173 176.870 -0.618 0.000 1.085 354 L CA 1.814 56.403 54.840 -0.419 0.000 0.755 354 L CB -0.648 41.202 42.059 -0.349 0.000 0.904 354 L HN -0.061 nan 8.230 nan 0.000 0.435 355 R N -0.394 119.897 120.500 -0.347 0.000 2.096 355 R HA -0.136 4.205 4.340 0.002 0.000 0.235 355 R C 1.964 178.139 176.300 -0.209 0.000 1.127 355 R CA 1.769 57.727 56.100 -0.237 0.000 0.968 355 R CB -1.175 29.084 30.300 -0.068 0.000 0.861 355 R HN 0.654 nan 8.270 nan 0.000 0.440 356 D N 0.411 120.692 120.400 -0.200 0.000 2.084 356 D HA -0.059 4.583 4.640 0.002 0.000 0.196 356 D C 2.119 178.262 176.300 -0.262 0.000 0.985 356 D CA 1.636 55.535 54.000 -0.167 0.000 0.826 356 D CB -0.431 40.294 40.800 -0.124 0.000 0.978 356 D HN 0.308 nan 8.370 nan 0.000 0.456 357 L N 0.339 121.323 121.223 -0.399 0.000 2.081 357 L HA -0.234 4.107 4.340 0.002 0.000 0.212 357 L C 2.435 178.709 176.870 -0.993 0.000 1.080 357 L CA 1.365 55.805 54.840 -0.666 0.000 0.754 357 L CB -0.455 41.162 42.059 -0.737 0.000 0.893 357 L HN 0.242 nan 8.230 nan 0.000 0.433 358 H N -2.071 116.519 119.070 -0.800 0.000 2.321 358 H HA -0.221 4.336 4.556 0.002 0.000 0.300 358 H C 2.437 177.619 175.328 -0.242 0.000 1.087 358 H CA 1.252 56.963 56.048 -0.561 0.000 1.319 358 H CB 0.114 29.692 29.762 -0.308 0.000 1.379 358 H HN 0.209 nan 8.280 nan 0.000 0.501 359 Q N 0.821 120.590 119.800 -0.052 0.000 2.124 359 Q HA -0.163 4.178 4.340 0.002 0.000 0.202 359 Q C 2.665 178.669 176.000 0.007 0.000 0.977 359 Q CA 1.559 57.358 55.803 -0.006 0.000 0.850 359 Q CB -0.403 28.325 28.738 -0.017 0.000 0.901 359 Q HN 0.694 nan 8.270 nan 0.000 0.429 360 S N -1.178 114.491 115.700 -0.052 0.000 2.402 360 S HA -0.122 4.349 4.470 0.002 0.000 0.229 360 S C 1.638 176.342 174.600 0.174 0.000 1.021 360 S CA 1.115 59.329 58.200 0.023 0.000 0.974 360 S CB -0.611 62.579 63.200 -0.018 0.000 0.800 360 S HN 0.763 nan 8.310 nan 0.000 0.484 361 W N 2.420 123.742 121.300 0.037 0.000 2.465 361 W HA 0.288 4.948 4.660 0.001 0.000 0.268 361 W C 1.631 178.154 176.519 0.007 0.000 1.242 361 W CA 0.244 57.601 57.345 0.020 0.000 1.248 361 W CB -1.067 28.404 29.460 0.018 0.000 1.118 361 W HN 0.490 nan 8.180 nan 0.000 0.587 362 K N 1.822 122.353 120.400 0.218 0.000 2.110 362 K HA 0.409 4.731 4.320 0.002 0.000 0.260 362 K C 0.274 176.930 176.600 0.093 0.000 1.126 362 K CA 0.696 57.058 56.287 0.126 0.000 1.005 362 K CB -1.108 31.445 32.500 0.087 0.000 1.336 362 K HN 0.214 nan 8.250 nan 0.000 0.369 363 T N 0.000 114.605 114.554 0.085 0.000 3.816 363 T HA 0.000 4.351 4.350 0.002 0.000 0.228 363 T CA 0.000 62.136 62.100 0.060 0.000 1.349 363 T CB 0.000 68.908 68.868 0.067 0.000 0.612 363 T HN 0.000 nan 8.240 nan 0.000 0.658