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 1tnu_1_H 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 0.075 0.000 1.165 18 L CA 0.000 54.867 54.840 0.045 0.000 0.813 18 L CB 0.000 42.084 42.059 0.041 0.000 0.961 19 D N 0.749 121.197 120.400 0.080 0.000 2.525 19 D HA 0.434 5.074 4.640 -0.000 0.000 0.249 19 D C -0.442 175.982 176.300 0.206 0.000 1.072 19 D CA -0.556 53.524 54.000 0.132 0.000 1.067 19 D CB 1.168 42.028 40.800 0.101 0.000 1.282 19 D HN 0.158 nan 8.370 nan 0.000 0.587 20 F N 0.667 120.664 119.950 0.079 0.000 2.405 20 F HA 0.244 4.771 4.527 -0.000 0.000 0.358 20 F C -0.253 175.593 175.800 0.077 0.000 1.151 20 F CA -1.185 56.895 58.000 0.133 0.000 1.161 20 F CB -0.024 39.066 39.000 0.149 0.000 1.245 20 F HN 0.088 nan 8.300 nan 0.000 0.545 21 L N 7.466 128.475 121.223 -0.356 0.000 2.544 21 L HA 0.115 4.455 4.340 -0.000 0.000 0.240 21 L C 1.983 178.358 176.870 -0.826 0.000 1.421 21 L CA 0.500 55.024 54.840 -0.526 0.000 1.206 21 L CB -1.382 40.365 42.059 -0.521 0.000 1.463 21 L HN 0.642 nan 8.230 nan 0.000 0.437 22 R N 0.398 120.401 120.500 -0.828 0.000 2.134 22 R HA -0.226 4.114 4.340 -0.000 0.000 0.248 22 R C 1.347 177.459 176.300 -0.314 0.000 1.143 22 R CA 2.203 57.923 56.100 -0.633 0.000 0.957 22 R CB 0.130 30.305 30.300 -0.209 0.000 0.867 22 R HN 0.512 nan 8.270 nan 0.000 0.441 23 D N -0.170 120.078 120.400 -0.253 0.000 2.097 23 D HA -0.163 4.477 4.640 -0.000 0.000 0.195 23 D C 2.049 178.224 176.300 -0.208 0.000 0.989 23 D CA 1.180 55.081 54.000 -0.165 0.000 0.827 23 D CB -0.260 40.461 40.800 -0.130 0.000 0.966 23 D HN 0.351 nan 8.370 nan 0.000 0.456 24 R N -0.010 120.281 120.500 -0.349 0.000 2.127 24 R HA -0.134 4.206 4.340 -0.000 0.000 0.238 24 R C 2.159 178.244 176.300 -0.358 0.000 1.134 24 R CA 0.935 56.809 56.100 -0.376 0.000 0.975 24 R CB -0.280 29.715 30.300 -0.509 0.000 0.865 24 R HN 0.424 nan 8.270 nan 0.000 0.447 25 H N -0.464 118.450 119.070 -0.260 0.000 2.436 25 H HA 0.001 4.557 4.556 -0.000 0.000 0.294 25 H C 2.257 177.487 175.328 -0.164 0.000 1.048 25 H CA 0.954 56.823 56.048 -0.298 0.000 1.353 25 H CB -0.128 29.461 29.762 -0.289 0.000 1.414 25 H HN -0.018 nan 8.280 nan 0.000 0.536 26 V N 0.699 120.652 119.914 0.066 0.000 2.343 26 V HA -0.249 3.871 4.120 -0.000 0.000 0.247 26 V C 2.773 178.930 176.094 0.105 0.000 1.051 26 V CA 1.715 64.106 62.300 0.152 0.000 1.036 26 V CB -0.545 31.334 31.823 0.092 0.000 0.654 26 V HN 0.211 nan 8.190 nan 0.000 0.451 27 R N -1.001 119.511 120.500 0.021 0.000 2.073 27 R HA -0.143 4.197 4.340 -0.000 0.000 0.234 27 R C 2.054 178.353 176.300 -0.001 0.000 1.134 27 R CA 1.855 57.952 56.100 -0.005 0.000 0.952 27 R CB -1.270 29.003 30.300 -0.044 0.000 0.850 27 R HN 0.722 nan 8.270 nan 0.000 0.433 28 F N 0.316 120.174 119.950 -0.154 0.000 2.065 28 F HA -0.219 4.308 4.527 -0.000 0.000 0.298 28 F C 1.958 177.687 175.800 -0.118 0.000 1.112 28 F CA 1.917 59.801 58.000 -0.193 0.000 1.212 28 F CB -0.453 38.359 39.000 -0.313 0.000 0.975 28 F HN 0.158 nan 8.300 nan 0.000 0.476 29 F N 0.245 120.327 119.950 0.221 0.000 2.171 29 F HA -0.239 4.288 4.527 -0.000 0.000 0.300 29 F C 2.565 178.329 175.800 -0.058 0.000 1.090 29 F CA 1.158 59.214 58.000 0.093 0.000 1.293 29 F CB -0.591 38.480 39.000 0.118 0.000 1.013 29 F HN 0.043 nan 8.300 nan 0.000 0.486 30 Q N 0.173 120.048 119.800 0.125 0.000 2.061 30 Q HA -0.221 4.118 4.340 -0.000 0.000 0.204 30 Q C 2.234 178.191 176.000 -0.073 0.000 0.984 30 Q CA 1.526 57.338 55.803 0.014 0.000 0.846 30 Q CB -0.276 28.461 28.738 -0.002 0.000 0.902 30 Q HN 0.408 nan 8.270 nan 0.000 0.421 31 R N -0.119 120.299 120.500 -0.137 0.000 2.091 31 R HA -0.135 4.204 4.340 -0.000 0.000 0.238 31 R C 2.509 178.666 176.300 -0.238 0.000 1.136 31 R CA 1.600 57.576 56.100 -0.207 0.000 0.959 31 R CB -0.511 29.618 30.300 -0.284 0.000 0.856 31 R HN 0.300 nan 8.270 nan 0.000 0.437 32 C N 0.377 119.518 119.300 -0.265 0.000 2.413 32 C HA -0.067 4.393 4.460 -0.000 0.000 0.277 32 C C 2.210 177.104 174.990 -0.160 0.000 1.265 32 C CA 0.388 59.273 59.018 -0.220 0.000 1.752 32 C CB -0.767 26.917 27.740 -0.093 0.000 1.998 32 C HN 0.398 nan 8.230 nan 0.000 0.489 33 L N 0.641 121.786 121.223 -0.131 0.000 2.465 33 L HA -0.033 4.307 4.340 -0.000 0.000 0.224 33 L C 2.210 178.962 176.870 -0.197 0.000 1.145 33 L CA 1.488 56.229 54.840 -0.166 0.000 0.834 33 L CB -1.467 40.511 42.059 -0.136 0.000 0.944 33 L HN 0.586 nan 8.230 nan 0.000 0.451 34 Q N -1.137 118.561 119.800 -0.171 0.000 1.786 34 Q HA 0.160 4.500 4.340 -0.000 0.000 0.353 34 Q C -0.143 175.762 176.000 -0.158 0.000 0.943 34 Q CA 0.390 56.097 55.803 -0.160 0.000 0.879 34 Q CB 0.242 28.901 28.738 -0.132 0.000 1.049 34 Q HN 0.104 nan 8.270 nan 0.000 0.435 35 V N 1.217 121.045 119.914 -0.142 0.000 2.709 35 V HA 0.405 4.525 4.120 -0.000 0.000 0.308 35 V C -0.926 175.090 176.094 -0.131 0.000 1.062 35 V CA -0.591 61.639 62.300 -0.118 0.000 0.901 35 V CB 1.974 33.745 31.823 -0.086 0.000 1.003 35 V HN 0.263 nan 8.190 nan 0.000 0.425 36 L N 4.530 125.690 121.223 -0.106 0.000 2.342 36 L HA 0.636 4.976 4.340 -0.000 0.000 0.271 36 L C -2.374 174.513 176.870 0.028 0.000 1.008 36 L CA -1.810 52.959 54.840 -0.119 0.000 0.818 36 L CB 1.930 43.884 42.059 -0.174 0.000 1.296 36 L HN 0.440 nan 8.230 nan 0.000 0.427 37 P HA 0.043 nan 4.420 nan 0.000 0.272 37 P C 0.350 177.786 177.300 0.227 0.000 1.223 37 P CA -0.390 62.823 63.100 0.189 0.000 0.784 37 P CB 0.651 32.501 31.700 0.249 0.000 0.923 38 E N 1.605 121.876 120.200 0.119 0.000 2.393 38 E HA -0.275 4.075 4.350 -0.000 0.000 0.201 38 E C 1.894 178.528 176.600 0.056 0.000 1.025 38 E CA 0.882 57.333 56.400 0.085 0.000 0.856 38 E CB 0.023 29.753 29.700 0.049 0.000 0.771 38 E HN 0.387 nan 8.360 nan 0.000 0.526 39 R N -0.007 120.511 120.500 0.030 0.000 2.237 39 R HA -0.127 4.213 4.340 -0.000 0.000 0.219 39 R C 0.894 176.961 176.300 -0.389 0.000 1.080 39 R CA 1.437 57.424 56.100 -0.189 0.000 0.995 39 R CB -0.968 29.153 30.300 -0.297 0.000 0.875 39 R HN 0.303 nan 8.270 nan 0.000 0.462 40 Y N 0.362 120.684 120.300 0.037 0.000 2.708 40 Y HA 0.139 4.689 4.550 -0.000 0.000 0.287 40 Y C 2.280 178.203 175.900 0.038 0.000 1.145 40 Y CA -0.101 58.026 58.100 0.046 0.000 1.249 40 Y CB 0.222 38.709 38.460 0.045 0.000 1.152 40 Y HN 0.340 nan 8.280 nan 0.000 0.532 41 S N -0.959 114.798 115.700 0.095 0.000 2.419 41 S HA -0.213 4.257 4.470 -0.000 0.000 0.233 41 S C 2.005 176.635 174.600 0.050 0.000 1.016 41 S CA 1.312 59.554 58.200 0.071 0.000 0.974 41 S CB -0.652 62.573 63.200 0.042 0.000 0.786 41 S HN 0.478 nan 8.310 nan 0.000 0.492 42 S N 1.216 116.943 115.700 0.044 0.000 2.603 42 S HA 0.213 4.683 4.470 -0.000 0.000 0.229 42 S C 1.361 175.990 174.600 0.047 0.000 0.972 42 S CA 0.257 58.477 58.200 0.033 0.000 0.935 42 S CB -0.661 62.559 63.200 0.033 0.000 0.769 42 S HN 0.577 nan 8.310 nan 0.000 0.536 43 L N 0.508 121.781 121.223 0.083 0.000 2.640 43 L HA 0.311 4.651 4.340 -0.000 0.000 0.230 43 L C 2.363 179.260 176.870 0.046 0.000 1.123 43 L CA 0.140 55.034 54.840 0.090 0.000 0.900 43 L CB -0.183 41.974 42.059 0.164 0.000 1.146 43 L HN 0.220 nan 8.230 nan 0.000 0.484 44 E N 1.398 121.610 120.200 0.019 0.000 2.065 44 E HA -0.270 4.080 4.350 -0.000 0.000 0.201 44 E C 2.018 178.574 176.600 -0.073 0.000 1.016 44 E CA 2.470 58.869 56.400 -0.001 0.000 0.818 44 E CB -0.202 29.484 29.700 -0.023 0.000 0.749 44 E HN 0.417 nan 8.360 nan 0.000 0.453 45 T N -2.790 111.631 114.554 -0.222 0.000 3.160 45 T HA 0.109 4.459 4.350 -0.000 0.000 0.257 45 T C 1.201 175.799 174.700 -0.171 0.000 1.147 45 T CA 0.751 62.654 62.100 -0.328 0.000 1.064 45 T CB -0.046 68.516 68.868 -0.511 0.000 0.949 45 T HN -0.004 nan 8.240 nan 0.000 0.526 46 S N 0.261 115.910 115.700 -0.086 0.000 2.749 46 S HA 0.325 4.795 4.470 -0.000 0.000 0.246 46 S C 1.502 176.100 174.600 -0.004 0.000 1.023 46 S CA -0.719 57.440 58.200 -0.067 0.000 1.012 46 S CB 0.213 63.395 63.200 -0.030 0.000 0.942 46 S HN 0.415 nan 8.310 nan 0.000 0.531 47 R N 0.872 121.408 120.500 0.060 0.000 2.105 47 R HA -0.076 4.264 4.340 -0.000 0.000 0.239 47 R C 2.004 178.413 176.300 0.183 0.000 1.135 47 R CA 1.091 57.276 56.100 0.142 0.000 0.967 47 R CB -0.407 30.041 30.300 0.246 0.000 0.861 47 R HN 0.270 nan 8.270 nan 0.000 0.442 48 L N 0.929 122.234 121.223 0.136 0.000 2.083 48 L HA -0.155 4.185 4.340 -0.000 0.000 0.209 48 L C 2.370 179.203 176.870 -0.063 0.000 1.083 48 L CA 2.340 57.227 54.840 0.078 0.000 0.752 48 L CB -0.866 41.140 42.059 -0.089 0.000 0.899 48 L HN 0.298 nan 8.230 nan 0.000 0.433 49 T N -3.473 110.980 114.554 -0.169 0.000 2.985 49 T HA -0.068 4.282 4.350 -0.000 0.000 0.266 49 T C 1.930 176.305 174.700 -0.542 0.000 1.076 49 T CA 0.847 62.713 62.100 -0.390 0.000 1.135 49 T CB -0.374 68.251 68.868 -0.406 0.000 0.890 49 T HN 0.195 nan 8.240 nan 0.000 0.480 50 I N 2.132 122.572 120.570 -0.217 0.000 2.353 50 I HA 0.069 4.239 4.170 -0.000 0.000 0.248 50 I C 3.090 179.168 176.117 -0.064 0.000 1.119 50 I CA 1.014 62.280 61.300 -0.055 0.000 1.417 50 I CB -1.717 36.322 38.000 0.065 0.000 1.078 50 I HN 0.395 nan 8.210 nan 0.000 0.421 51 A N 0.983 123.774 122.820 -0.049 0.000 1.877 51 A HA -0.269 4.051 4.320 -0.000 0.000 0.216 51 A C 2.307 179.800 177.584 -0.152 0.000 1.186 51 A CA 1.496 53.506 52.037 -0.045 0.000 0.620 51 A CB -1.148 17.929 19.000 0.128 0.000 0.822 51 A HN 0.386 nan 8.150 nan 0.000 0.443 52 F N 0.035 119.778 119.950 -0.346 0.000 2.095 52 F HA -0.216 4.311 4.527 -0.000 0.000 0.298 52 F C 1.992 177.452 175.800 -0.566 0.000 1.104 52 F CA 1.833 59.545 58.000 -0.479 0.000 1.232 52 F CB -0.557 38.075 39.000 -0.613 0.000 0.987 52 F HN 0.257 nan 8.300 nan 0.000 0.475 53 F N 0.257 119.807 119.950 -0.666 0.000 2.126 53 F HA -0.243 4.284 4.527 -0.000 0.000 0.299 53 F C 2.610 177.852 175.800 -0.931 0.000 1.096 53 F CA 0.612 58.040 58.000 -0.954 0.000 1.255 53 F CB -0.835 37.972 39.000 -0.322 0.000 0.997 53 F HN 0.165 nan 8.300 nan 0.000 0.479 54 A N 0.365 122.950 122.820 -0.393 0.000 1.872 54 A HA -0.066 4.254 4.320 -0.000 0.000 0.214 54 A C 2.138 179.350 177.584 -0.620 0.000 1.187 54 A CA 1.018 52.779 52.037 -0.461 0.000 0.614 54 A CB -0.901 18.054 19.000 -0.074 0.000 0.826 54 A HN 0.324 nan 8.150 nan 0.000 0.442 55 L N -0.995 119.943 121.223 -0.474 0.000 1.988 55 L HA -0.130 4.210 4.340 -0.000 0.000 0.207 55 L C 2.883 179.467 176.870 -0.478 0.000 1.071 55 L CA 1.590 56.202 54.840 -0.381 0.000 0.744 55 L CB -0.582 41.315 42.059 -0.271 0.000 0.893 55 L HN 0.448 nan 8.230 nan 0.000 0.433 56 S N -0.119 115.148 115.700 -0.722 0.000 2.399 56 S HA -0.128 4.342 4.470 -0.000 0.000 0.231 56 S C 1.931 176.275 174.600 -0.427 0.000 1.022 56 S CA 1.273 59.078 58.200 -0.658 0.000 0.983 56 S CB -0.383 62.071 63.200 -1.244 0.000 0.803 56 S HN 0.544 nan 8.310 nan 0.000 0.480 57 G N 1.147 109.530 108.800 -0.695 0.000 2.402 57 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.216 57 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.216 57 G C 1.384 176.044 174.900 -0.401 0.000 1.162 57 G CA 0.645 45.338 45.100 -0.677 0.000 0.777 57 G HN 0.508 nan 8.290 nan 0.000 0.539 58 L N 0.315 121.285 121.223 -0.421 0.000 2.109 58 L HA -0.023 4.317 4.340 -0.000 0.000 0.207 58 L C 2.570 179.412 176.870 -0.046 0.000 1.086 58 L CA 1.172 55.968 54.840 -0.074 0.000 0.760 58 L CB -0.290 41.732 42.059 -0.061 0.000 0.910 58 L HN 0.168 nan 8.230 nan 0.000 0.437 59 D N 0.215 120.548 120.400 -0.112 0.000 2.104 59 D HA -0.263 4.377 4.640 -0.000 0.000 0.194 59 D C 2.143 178.428 176.300 -0.025 0.000 0.994 59 D CA 1.493 55.454 54.000 -0.066 0.000 0.830 59 D CB 0.052 40.795 40.800 -0.096 0.000 0.959 59 D HN 0.026 nan 8.370 nan 0.000 0.452 60 M N -0.314 119.267 119.600 -0.033 0.000 2.202 60 M HA 0.008 4.488 4.480 -0.000 0.000 0.262 60 M C 1.675 178.002 176.300 0.046 0.000 1.063 60 M CA 1.119 56.415 55.300 -0.007 0.000 1.097 60 M CB -0.116 32.458 32.600 -0.043 0.000 1.382 60 M HN 0.089 nan 8.290 nan 0.000 0.413 61 L N -1.230 120.048 121.223 0.092 0.000 2.592 61 L HA 0.084 4.424 4.340 -0.000 0.000 0.227 61 L C 0.121 177.052 176.870 0.102 0.000 1.127 61 L CA -0.149 54.782 54.840 0.151 0.000 0.884 61 L CB -0.408 41.793 42.059 0.236 0.000 1.065 61 L HN 0.263 nan 8.230 nan 0.000 0.457 62 D N 0.506 120.943 120.400 0.060 0.000 2.737 62 D HA -0.196 4.444 4.640 -0.000 0.000 0.238 62 D C 0.124 176.451 176.300 0.045 0.000 1.157 62 D CA 0.690 54.715 54.000 0.043 0.000 0.694 62 D CB -0.707 40.119 40.800 0.045 0.000 1.021 62 D HN 0.218 nan 8.370 nan 0.000 0.420 63 S N 0.161 115.886 115.700 0.042 0.000 3.073 63 S HA 0.173 4.643 4.470 -0.000 0.000 0.252 63 S C 1.500 176.114 174.600 0.023 0.000 0.953 63 S CA -0.590 57.635 58.200 0.041 0.000 1.105 63 S CB 0.192 63.433 63.200 0.069 0.000 1.070 63 S HN 0.399 nan 8.310 nan 0.000 0.574 64 L N 2.334 123.560 121.223 0.005 0.000 2.450 64 L HA -0.137 4.203 4.340 -0.000 0.000 0.224 64 L C 2.393 179.261 176.870 -0.003 0.000 1.149 64 L CA 1.295 56.129 54.840 -0.010 0.000 0.816 64 L CB -0.285 41.762 42.059 -0.020 0.000 0.932 64 L HN 0.541 nan 8.230 nan 0.000 0.449 65 D N 0.104 120.507 120.400 0.005 0.000 2.178 65 D HA -0.156 4.484 4.640 -0.000 0.000 0.202 65 D C 1.748 178.050 176.300 0.003 0.000 0.974 65 D CA 1.457 55.461 54.000 0.006 0.000 0.841 65 D CB -0.395 40.411 40.800 0.009 0.000 0.953 65 D HN 0.371 nan 8.370 nan 0.000 0.478 66 V N -0.163 119.754 119.914 0.006 0.000 3.546 66 V HA 0.077 4.197 4.120 -0.000 0.000 0.272 66 V C 0.725 176.815 176.094 -0.006 0.000 1.228 66 V CA 0.313 62.614 62.300 0.002 0.000 1.184 66 V CB -1.454 30.375 31.823 0.010 0.000 0.886 66 V HN 0.256 nan 8.190 nan 0.000 0.508 67 V N -2.643 117.266 119.914 -0.009 0.000 3.078 67 V HA 0.594 4.714 4.120 -0.000 0.000 0.311 67 V C -0.347 175.742 176.094 -0.008 0.000 1.138 67 V CA -0.975 61.315 62.300 -0.017 0.000 1.007 67 V CB 1.925 33.733 31.823 -0.026 0.000 1.045 67 V HN 0.241 nan 8.190 nan 0.000 0.432 68 N N 2.349 121.044 118.700 -0.008 0.000 2.555 68 N HA 0.233 4.973 4.740 -0.000 0.000 0.244 68 N C 0.914 176.436 175.510 0.021 0.000 1.114 68 N CA -0.036 53.018 53.050 0.006 0.000 0.963 68 N CB 0.850 39.340 38.487 0.006 0.000 1.276 68 N HN 0.824 nan 8.380 nan 0.000 0.510 69 K N 1.456 121.870 120.400 0.023 0.000 2.127 69 K HA -0.172 4.147 4.320 -0.000 0.000 0.208 69 K C 0.695 177.334 176.600 0.065 0.000 1.047 69 K CA 1.328 57.637 56.287 0.036 0.000 0.927 69 K CB 0.256 32.775 32.500 0.031 0.000 0.716 69 K HN 0.521 nan 8.250 nan 0.000 0.450 70 D N 1.059 121.498 120.400 0.065 0.000 2.117 70 D HA -0.132 4.508 4.640 -0.000 0.000 0.198 70 D C 1.556 177.925 176.300 0.115 0.000 0.982 70 D CA 1.104 55.156 54.000 0.087 0.000 0.828 70 D CB -0.146 40.695 40.800 0.068 0.000 0.967 70 D HN 0.194 nan 8.370 nan 0.000 0.464 71 D N 0.935 121.391 120.400 0.094 0.000 2.084 71 D HA -0.086 4.554 4.640 -0.000 0.000 0.194 71 D C 2.385 178.792 176.300 0.179 0.000 0.990 71 D CA 0.472 54.542 54.000 0.116 0.000 0.826 71 D CB -0.283 40.551 40.800 0.056 0.000 0.971 71 D HN 0.274 nan 8.370 nan 0.000 0.453 72 I N 0.972 121.626 120.570 0.140 0.000 2.286 72 I HA -0.223 3.947 4.170 -0.000 0.000 0.248 72 I C 2.453 178.734 176.117 0.273 0.000 1.115 72 I CA 0.708 62.128 61.300 0.199 0.000 1.392 72 I CB -0.199 37.862 38.000 0.101 0.000 1.065 72 I HN -0.036 nan 8.210 nan 0.000 0.418 73 I N 0.451 121.141 120.570 0.200 0.000 2.286 73 I HA -0.237 3.933 4.170 -0.000 0.000 0.248 73 I C 2.511 178.809 176.117 0.301 0.000 1.115 73 I CA 1.129 62.551 61.300 0.203 0.000 1.392 73 I CB -0.371 37.750 38.000 0.202 0.000 1.065 73 I HN 0.241 nan 8.210 nan 0.000 0.418 74 E N -0.054 120.334 120.200 0.314 0.000 2.072 74 E HA -0.246 4.104 4.350 -0.000 0.000 0.191 74 E C 1.707 178.519 176.600 0.353 0.000 0.985 74 E CA 1.101 57.703 56.400 0.337 0.000 0.801 74 E CB -0.451 29.454 29.700 0.341 0.000 0.750 74 E HN 0.595 nan 8.360 nan 0.000 0.452 75 W N 1.887 123.324 121.300 0.229 0.000 2.335 75 W HA -0.143 4.517 4.660 -0.000 0.000 0.311 75 W C 2.004 178.590 176.519 0.112 0.000 1.213 75 W CA 1.499 58.978 57.345 0.224 0.000 1.274 75 W CB -0.514 29.048 29.460 0.169 0.000 1.148 75 W HN -0.059 nan 8.180 nan 0.000 0.498 76 I N -0.583 119.998 120.570 0.018 0.000 2.163 76 I HA -0.387 3.783 4.170 -0.000 0.000 0.243 76 I C 2.179 178.205 176.117 -0.152 0.000 1.085 76 I CA 1.617 62.771 61.300 -0.243 0.000 1.347 76 I CB -0.968 36.943 38.000 -0.148 0.000 1.044 76 I HN -0.063 nan 8.210 nan 0.000 0.408 77 Y N 1.104 121.394 120.300 -0.018 0.000 2.403 77 Y HA -0.223 4.327 4.550 -0.000 0.000 0.291 77 Y C 2.923 178.663 175.900 -0.268 0.000 1.143 77 Y CA 1.427 59.490 58.100 -0.061 0.000 1.257 77 Y CB -0.600 37.833 38.460 -0.045 0.000 0.984 77 Y HN 0.285 nan 8.280 nan 0.000 0.550 78 S N -0.956 114.602 115.700 -0.237 0.000 2.515 78 S HA -0.061 4.409 4.470 -0.000 0.000 0.231 78 S C 1.489 175.846 174.600 -0.404 0.000 0.987 78 S CA 0.642 58.551 58.200 -0.484 0.000 0.936 78 S CB -0.620 62.093 63.200 -0.812 0.000 0.766 78 S HN 0.493 nan 8.310 nan 0.000 0.528 79 L N 0.541 121.538 121.223 -0.378 0.000 2.592 79 L HA 0.289 4.629 4.340 -0.000 0.000 0.227 79 L C 1.251 177.867 176.870 -0.424 0.000 1.127 79 L CA -0.052 54.587 54.840 -0.334 0.000 0.884 79 L CB -0.190 41.682 42.059 -0.312 0.000 1.065 79 L HN 0.408 nan 8.230 nan 0.000 0.457 80 Q N 1.394 120.795 119.800 -0.664 0.000 2.296 80 Q HA 0.190 4.530 4.340 -0.000 0.000 0.262 80 Q C -0.663 174.994 176.000 -0.571 0.000 0.981 80 Q CA -0.264 54.882 55.803 -1.094 0.000 0.905 80 Q CB 1.451 29.520 28.738 -1.115 0.000 1.186 80 Q HN -0.009 nan 8.270 nan 0.000 0.399 81 V N 7.051 126.676 119.914 -0.481 0.000 2.338 81 V HA 0.144 4.264 4.120 -0.000 0.000 0.255 81 V C 0.233 176.180 176.094 -0.245 0.000 1.082 81 V CA -0.112 62.018 62.300 -0.282 0.000 0.951 81 V CB -0.132 31.572 31.823 -0.198 0.000 1.102 81 V HN 0.737 nan 8.190 nan 0.000 0.489 82 L N 7.779 128.872 121.223 -0.215 0.000 2.418 82 L HA 0.442 4.782 4.340 -0.000 0.000 0.265 82 L C -1.790 175.007 176.870 -0.122 0.000 1.143 82 L CA -1.743 52.998 54.840 -0.166 0.000 0.809 82 L CB 1.135 43.101 42.059 -0.155 0.000 1.124 82 L HN 0.370 nan 8.230 nan 0.000 0.456 83 P HA 0.077 nan 4.420 nan 0.000 0.275 83 P C -0.460 176.796 177.300 -0.073 0.000 1.227 83 P CA -0.375 62.677 63.100 -0.080 0.000 0.781 83 P CB 0.746 32.404 31.700 -0.070 0.000 0.906 84 T N -1.454 113.063 114.554 -0.063 0.000 2.698 84 T HA 0.242 4.592 4.350 -0.000 0.000 0.295 84 T C 1.739 176.409 174.700 -0.050 0.000 1.007 84 T CA 0.377 62.444 62.100 -0.055 0.000 0.980 84 T CB -0.415 68.424 68.868 -0.048 0.000 1.036 84 T HN 0.439 nan 8.240 nan 0.000 0.526 85 E N 1.129 121.303 120.200 -0.045 0.000 2.048 85 E HA -0.254 4.096 4.350 -0.000 0.000 0.202 85 E C 1.669 178.246 176.600 -0.038 0.000 1.021 85 E CA 2.029 58.404 56.400 -0.041 0.000 0.825 85 E CB -1.570 28.108 29.700 -0.036 0.000 0.756 85 E HN 0.963 nan 8.360 nan 0.000 0.454 86 D N -0.247 120.131 120.400 -0.037 0.000 2.350 86 D HA -0.127 4.513 4.640 -0.000 0.000 0.216 86 D C 0.575 176.853 176.300 -0.037 0.000 0.968 86 D CA 0.718 54.697 54.000 -0.034 0.000 0.894 86 D CB -0.445 40.336 40.800 -0.033 0.000 0.909 86 D HN 0.593 nan 8.370 nan 0.000 0.520 87 R N -0.307 120.168 120.500 -0.041 0.000 3.651 87 R HA -0.154 4.186 4.340 -0.000 0.000 0.292 87 R C 0.760 177.036 176.300 -0.041 0.000 1.161 87 R CA 0.856 56.930 56.100 -0.043 0.000 0.787 87 R CB -3.112 27.164 30.300 -0.041 0.000 1.249 87 R HN 0.439 nan 8.270 nan 0.000 0.476 88 S N 0.262 115.938 115.700 -0.041 0.000 2.593 88 S HA -0.033 4.437 4.470 -0.000 0.000 0.217 88 S C 1.032 175.606 174.600 -0.043 0.000 0.966 88 S CA 0.365 58.541 58.200 -0.040 0.000 0.914 88 S CB 0.036 63.212 63.200 -0.039 0.000 0.776 88 S HN 0.557 nan 8.310 nan 0.000 0.523 89 N N 1.065 119.737 118.700 -0.047 0.000 2.338 89 N HA 0.208 4.948 4.740 -0.000 0.000 0.251 89 N C 0.842 176.322 175.510 -0.051 0.000 1.199 89 N CA -0.389 52.630 53.050 -0.050 0.000 0.879 89 N CB -0.416 38.039 38.487 -0.054 0.000 1.159 89 N HN 0.321 nan 8.380 nan 0.000 0.514 90 L N 0.238 121.434 121.223 -0.046 0.000 2.042 90 L HA -0.144 4.196 4.340 -0.000 0.000 0.210 90 L C 0.834 177.680 176.870 -0.040 0.000 1.076 90 L CA 1.555 56.368 54.840 -0.044 0.000 0.749 90 L CB -0.249 41.787 42.059 -0.039 0.000 0.893 90 L HN 0.069 nan 8.230 nan 0.000 0.432 91 D N -0.386 119.992 120.400 -0.036 0.000 2.384 91 D HA -0.110 4.530 4.640 -0.000 0.000 0.222 91 D C 1.603 177.883 176.300 -0.033 0.000 0.976 91 D CA 0.811 54.793 54.000 -0.030 0.000 0.915 91 D CB 0.054 40.836 40.800 -0.029 0.000 0.896 91 D HN 0.218 nan 8.370 nan 0.000 0.523 92 R N -0.836 119.639 120.500 -0.041 0.000 2.535 92 R HA 0.241 4.581 4.340 -0.000 0.000 0.323 92 R C -0.222 176.045 176.300 -0.054 0.000 0.979 92 R CA -0.226 55.848 56.100 -0.044 0.000 1.120 92 R CB 0.510 30.781 30.300 -0.047 0.000 1.306 92 R HN 0.114 nan 8.270 nan 0.000 0.540 93 C N 0.537 119.803 119.300 -0.057 0.000 2.520 93 C HA 0.764 5.224 4.460 -0.000 0.000 0.376 93 C C 1.393 176.352 174.990 -0.052 0.000 1.268 93 C CA 0.144 59.117 59.018 -0.076 0.000 2.414 93 C CB 0.932 28.623 27.740 -0.081 0.000 2.521 93 C HN 0.767 nan 8.230 nan 0.000 0.618 94 G N 0.529 109.283 108.800 -0.077 0.000 2.439 94 G HA2 0.290 4.250 3.960 -0.000 0.000 0.186 94 G HA3 0.290 4.250 3.960 -0.000 0.000 0.186 94 G C -1.625 173.256 174.900 -0.032 0.000 1.260 94 G CA -0.489 44.639 45.100 0.047 0.000 1.020 94 G HN 0.428 nan 8.290 nan 0.000 0.470 95 F N 1.107 121.007 119.950 -0.083 0.000 2.577 95 F HA 0.787 5.314 4.527 -0.000 0.000 0.318 95 F C 0.808 176.560 175.800 -0.080 0.000 1.065 95 F CA -0.727 57.206 58.000 -0.112 0.000 0.929 95 F CB 2.147 41.055 39.000 -0.154 0.000 1.237 95 F HN 0.419 nan 8.300 nan 0.000 0.468 96 R N -0.085 120.446 120.500 0.052 0.000 2.596 96 R HA 0.511 4.851 4.340 -0.000 0.000 0.267 96 R C 0.949 177.270 176.300 0.034 0.000 1.026 96 R CA -0.400 55.725 56.100 0.042 0.000 1.087 96 R CB 0.715 30.997 30.300 -0.030 0.000 1.132 96 R HN 0.892 nan 8.270 nan 0.000 0.531 97 G N -0.191 108.649 108.800 0.067 0.000 2.464 97 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.217 97 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.217 97 G C 0.299 175.235 174.900 0.060 0.000 1.138 97 G CA 0.861 45.965 45.100 0.006 0.000 0.793 97 G HN 0.621 nan 8.290 nan 0.000 0.539 98 S N -1.853 113.937 115.700 0.151 0.000 2.694 98 S HA 0.352 4.822 4.470 -0.000 0.000 0.273 98 S C 0.387 175.092 174.600 0.174 0.000 1.180 98 S CA 0.514 58.833 58.200 0.197 0.000 0.864 98 S CB 0.737 64.117 63.200 0.299 0.000 1.198 98 S HN 0.487 nan 8.310 nan 0.000 0.499 99 S N 0.221 116.032 115.700 0.185 0.000 2.614 99 S HA 0.129 4.599 4.470 -0.000 0.000 0.230 99 S C 1.316 175.943 174.600 0.046 0.000 0.952 99 S CA 0.186 58.429 58.200 0.072 0.000 0.949 99 S CB -1.294 61.989 63.200 0.138 0.000 0.786 99 S HN 1.018 nan 8.310 nan 0.000 0.478 100 Y N 0.781 121.106 120.300 0.042 0.000 2.446 100 Y HA 0.061 4.611 4.550 -0.000 0.000 0.287 100 Y C 1.435 177.349 175.900 0.023 0.000 1.159 100 Y CA 0.296 58.419 58.100 0.038 0.000 1.297 100 Y CB -0.731 37.749 38.460 0.033 0.000 0.974 100 Y HN 0.306 nan 8.280 nan 0.000 0.557 101 L N 0.404 121.237 121.223 -0.650 0.000 2.478 101 L HA 0.131 4.471 4.340 -0.000 0.000 0.223 101 L C 1.845 178.629 176.870 -0.143 0.000 1.140 101 L CA 1.071 55.633 54.840 -0.463 0.000 0.842 101 L CB -0.669 41.006 42.059 -0.641 0.000 0.953 101 L HN 0.686 nan 8.230 nan 0.000 0.452 102 G N 0.660 109.411 108.800 -0.083 0.000 2.141 102 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.242 102 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.242 102 G C 0.245 175.159 174.900 0.023 0.000 0.982 102 G CA -0.289 44.817 45.100 0.009 0.000 0.662 102 G HN 0.268 nan 8.290 nan 0.000 0.527 103 I N 2.822 123.379 120.570 -0.021 0.000 2.588 103 I HA 0.206 4.376 4.170 -0.000 0.000 0.283 103 I C -0.876 175.254 176.117 0.021 0.000 1.119 103 I CA -1.651 59.648 61.300 -0.002 0.000 1.419 103 I CB 0.658 38.618 38.000 -0.067 0.000 1.394 103 I HN 0.011 nan 8.210 nan 0.000 0.562 104 P HA -0.085 nan 4.420 nan 0.000 0.263 104 P C -0.381 176.975 177.300 0.094 0.000 1.195 104 P CA -0.091 63.055 63.100 0.077 0.000 0.762 104 P CB 0.246 31.980 31.700 0.057 0.000 0.799 105 F N 3.942 123.895 119.950 0.006 0.000 2.548 105 F HA -0.064 4.463 4.527 -0.000 0.000 0.403 105 F C 0.526 176.325 175.800 -0.001 0.000 1.004 105 F CA 0.993 59.000 58.000 0.011 0.000 1.177 105 F CB -0.036 38.986 39.000 0.038 0.000 0.974 105 F HN 0.365 nan 8.300 nan 0.000 0.541 106 N N 7.704 126.086 118.700 -0.530 0.000 2.664 106 N HA 0.272 5.012 4.740 -0.000 0.000 0.268 106 N C -2.895 172.327 175.510 -0.480 0.000 1.222 106 N CA -1.871 50.965 53.050 -0.358 0.000 0.805 106 N CB 1.330 39.708 38.487 -0.182 0.000 1.399 106 N HN 0.169 nan 8.380 nan 0.000 0.547 107 P HA 0.077 nan 4.420 nan 0.000 0.237 107 P C -0.688 176.502 177.300 -0.184 0.000 1.701 107 P CA 0.172 63.101 63.100 -0.285 0.000 0.955 107 P CB -0.633 31.001 31.700 -0.110 0.000 1.937 108 S N -0.997 114.587 115.700 -0.193 0.000 3.559 108 S HA -0.222 4.248 4.470 -0.000 0.000 0.369 108 S C 1.408 175.894 174.600 -0.190 0.000 0.987 108 S CA 1.598 59.688 58.200 -0.183 0.000 1.187 108 S CB -1.673 61.429 63.200 -0.164 0.000 0.914 108 S HN 0.722 nan 8.310 nan 0.000 0.480 109 K N -0.567 119.743 120.400 -0.151 0.000 2.225 109 K HA 0.443 4.763 4.320 -0.000 0.000 0.204 109 K C 0.671 177.215 176.600 -0.094 0.000 1.047 109 K CA 1.316 57.534 56.287 -0.115 0.000 0.970 109 K CB -0.945 31.509 32.500 -0.077 0.000 0.939 109 K HN 0.961 nan 8.250 nan 0.000 0.472 110 N N 0.355 119.004 118.700 -0.086 0.000 2.502 110 N HA 0.660 5.399 4.740 -0.000 0.000 0.280 110 N C -1.602 173.859 175.510 -0.082 0.000 1.223 110 N CA -0.905 52.103 53.050 -0.071 0.000 0.966 110 N CB 0.312 38.767 38.487 -0.053 0.000 1.203 110 N HN 0.568 nan 8.380 nan 0.000 0.565 111 P HA 0.535 nan 4.420 nan 0.000 0.272 111 P C 0.707 177.961 177.300 -0.077 0.000 1.240 111 P CA 0.633 63.690 63.100 -0.073 0.000 0.791 111 P CB -0.022 31.642 31.700 -0.059 0.000 0.978 112 G N 0.230 108.980 108.800 -0.083 0.000 2.441 112 G HA2 0.463 4.423 3.960 -0.000 0.000 0.243 112 G HA3 0.463 4.423 3.960 -0.000 0.000 0.243 112 G C 0.382 175.246 174.900 -0.061 0.000 1.281 112 G CA 0.759 45.808 45.100 -0.084 0.000 0.854 112 G HN 0.768 nan 8.290 nan 0.000 0.560 113 T N -0.184 114.339 114.554 -0.052 0.000 2.744 113 T HA 0.621 4.971 4.350 -0.000 0.000 0.291 113 T C 0.599 175.295 174.700 -0.008 0.000 0.957 113 T CA -0.152 61.932 62.100 -0.028 0.000 1.002 113 T CB 1.467 70.325 68.868 -0.016 0.000 0.919 113 T HN 0.991 nan 8.240 nan 0.000 0.468 114 A N 3.085 125.898 122.820 -0.011 0.000 2.555 114 A HA 0.343 4.663 4.320 -0.000 0.000 0.233 114 A C 0.306 177.922 177.584 0.052 0.000 1.060 114 A CA 0.068 52.105 52.037 -0.000 0.000 0.759 114 A CB -0.175 18.809 19.000 -0.026 0.000 0.995 114 A HN 1.068 nan 8.150 nan 0.000 0.506 115 H N 2.519 121.551 119.070 -0.064 0.000 3.137 115 H HA 0.282 4.838 4.556 -0.000 0.000 0.336 115 H C -2.502 172.775 175.328 -0.086 0.000 1.055 115 H CA -1.229 54.789 56.048 -0.050 0.000 1.349 115 H CB 1.775 31.514 29.762 -0.038 0.000 1.939 115 H HN 0.365 nan 8.280 nan 0.000 0.487 116 P HA -0.105 nan 4.420 nan 0.000 0.217 116 P C 0.141 177.204 177.300 -0.395 0.000 1.148 116 P CA 1.466 64.429 63.100 -0.227 0.000 0.828 116 P CB 0.092 31.594 31.700 -0.331 0.000 0.783 117 Y N -2.387 118.132 120.300 0.365 0.000 2.641 117 Y HA 0.278 4.828 4.550 -0.000 0.000 0.248 117 Y C 0.230 176.084 175.900 -0.077 0.000 1.170 117 Y CA -0.959 57.215 58.100 0.123 0.000 1.201 117 Y CB 0.034 38.574 38.460 0.133 0.000 1.232 117 Y HN -0.150 nan 8.280 nan 0.000 0.537 118 D N 1.450 121.805 120.400 -0.075 0.000 2.280 118 D HA 0.470 5.110 4.640 -0.000 0.000 0.243 118 D C -0.284 175.959 176.300 -0.095 0.000 1.129 118 D CA 0.144 54.016 54.000 -0.212 0.000 0.848 118 D CB 0.744 41.345 40.800 -0.331 0.000 1.107 118 D HN 0.150 nan 8.370 nan 0.000 0.471 119 S N 1.478 117.136 115.700 -0.070 0.000 2.587 119 S HA 0.733 5.203 4.470 -0.000 0.000 0.269 119 S C 0.165 174.753 174.600 -0.019 0.000 1.154 119 S CA -0.884 57.289 58.200 -0.045 0.000 0.824 119 S CB 0.839 64.027 63.200 -0.021 0.000 1.118 119 S HN 0.456 nan 8.310 nan 0.000 0.462 120 G N 0.086 108.875 108.800 -0.018 0.000 2.616 120 G HA2 0.478 4.438 3.960 -0.000 0.000 0.268 120 G HA3 0.478 4.438 3.960 -0.000 0.000 0.268 120 G C -0.734 174.205 174.900 0.065 0.000 1.213 120 G CA -0.262 44.854 45.100 0.026 0.000 0.926 120 G HN 0.877 nan 8.290 nan 0.000 0.523 121 H N 0.727 119.789 119.070 -0.013 0.000 2.658 121 H HA 0.223 4.779 4.556 -0.000 0.000 0.337 121 H C 1.081 176.364 175.328 -0.075 0.000 1.009 121 H CA -0.715 55.298 56.048 -0.057 0.000 1.231 121 H CB 1.767 31.511 29.762 -0.029 0.000 1.508 121 H HN 0.383 nan 8.280 nan 0.000 0.517 122 I N 4.001 124.404 120.570 -0.278 0.000 2.236 122 I HA -0.346 3.824 4.170 -0.000 0.000 0.249 122 I C 1.939 178.087 176.117 0.050 0.000 1.102 122 I CA 1.952 63.154 61.300 -0.163 0.000 1.365 122 I CB -0.057 37.745 38.000 -0.331 0.000 1.051 122 I HN 0.711 nan 8.210 nan 0.000 0.420 123 A N -0.230 122.746 122.820 0.259 0.000 2.066 123 A HA -0.131 4.188 4.320 -0.000 0.000 0.218 123 A C 2.096 179.768 177.584 0.147 0.000 1.157 123 A CA 1.107 53.346 52.037 0.337 0.000 0.670 123 A CB -0.262 19.007 19.000 0.448 0.000 0.804 123 A HN 0.426 nan 8.150 nan 0.000 0.453 124 M N -0.915 118.772 119.600 0.144 0.000 2.357 124 M HA 0.001 4.481 4.480 -0.000 0.000 0.266 124 M C 2.009 178.247 176.300 -0.104 0.000 1.095 124 M CA 1.533 56.817 55.300 -0.026 0.000 1.156 124 M CB -1.910 30.707 32.600 0.028 0.000 1.365 124 M HN 0.321 nan 8.290 nan 0.000 0.447 125 T N 0.529 115.083 114.554 -0.001 0.000 2.746 125 T HA -0.168 4.181 4.350 -0.000 0.000 0.267 125 T C 1.694 176.267 174.700 -0.211 0.000 1.039 125 T CA 1.465 63.526 62.100 -0.064 0.000 1.142 125 T CB -0.468 68.434 68.868 0.057 0.000 0.866 125 T HN 0.347 nan 8.240 nan 0.000 0.444 126 Y N 3.073 123.237 120.300 -0.227 0.000 2.070 126 Y HA -0.199 4.351 4.550 -0.000 0.000 0.279 126 Y C 2.712 178.398 175.900 -0.357 0.000 1.134 126 Y CA 1.917 59.854 58.100 -0.271 0.000 1.113 126 Y CB -1.300 37.024 38.460 -0.227 0.000 0.981 126 Y HN 0.291 nan 8.280 nan 0.000 0.487 127 T N -1.846 112.115 114.554 -0.987 0.000 2.881 127 T HA -0.055 4.295 4.350 -0.000 0.000 0.270 127 T C 2.187 176.507 174.700 -0.634 0.000 1.068 127 T CA 1.121 62.557 62.100 -1.107 0.000 1.131 127 T CB -1.365 66.986 68.868 -0.862 0.000 0.871 127 T HN 0.455 nan 8.240 nan 0.000 0.479 128 G N 1.954 110.390 108.800 -0.606 0.000 2.453 128 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.215 128 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.215 128 G C 1.483 175.959 174.900 -0.707 0.000 1.201 128 G CA 0.712 45.368 45.100 -0.740 0.000 0.784 128 G HN 0.503 nan 8.290 nan 0.000 0.545 129 L N 0.577 121.382 121.223 -0.697 0.000 2.042 129 L HA -0.133 4.206 4.340 -0.000 0.000 0.210 129 L C 3.112 179.829 176.870 -0.256 0.000 1.076 129 L CA 1.377 55.967 54.840 -0.418 0.000 0.749 129 L CB -0.511 41.394 42.059 -0.256 0.000 0.893 129 L HN 0.335 nan 8.230 nan 0.000 0.432 130 S N -0.952 114.581 115.700 -0.278 0.000 2.359 130 S HA -0.236 4.234 4.470 -0.000 0.000 0.224 130 S C 2.180 176.735 174.600 -0.075 0.000 1.035 130 S CA 1.679 59.786 58.200 -0.154 0.000 1.018 130 S CB -0.323 62.681 63.200 -0.327 0.000 0.876 130 S HN 0.509 nan 8.310 nan 0.000 0.448 131 C N 1.037 120.264 119.300 -0.122 0.000 2.429 131 C HA 0.038 4.498 4.460 -0.000 0.000 0.277 131 C C 2.526 177.456 174.990 -0.100 0.000 1.262 131 C CA 0.629 59.596 59.018 -0.085 0.000 1.733 131 C CB -1.579 26.102 27.740 -0.097 0.000 2.010 131 C HN 0.585 nan 8.230 nan 0.000 0.483 132 L N 0.397 121.524 121.223 -0.161 0.000 2.012 132 L HA -0.204 4.135 4.340 -0.000 0.000 0.210 132 L C 2.397 179.242 176.870 -0.042 0.000 1.073 132 L CA 1.711 56.476 54.840 -0.125 0.000 0.748 132 L CB -0.575 41.360 42.059 -0.206 0.000 0.891 132 L HN 0.368 nan 8.230 nan 0.000 0.431 133 I N -0.260 120.287 120.570 -0.038 0.000 2.226 133 I HA -0.317 3.853 4.170 -0.000 0.000 0.245 133 I C 2.425 178.535 176.117 -0.012 0.000 1.100 133 I CA 1.470 62.766 61.300 -0.007 0.000 1.374 133 I CB -0.252 37.745 38.000 -0.006 0.000 1.057 133 I HN 0.191 nan 8.210 nan 0.000 0.413 134 I N 0.536 121.091 120.570 -0.025 0.000 2.264 134 I HA -0.284 3.886 4.170 -0.000 0.000 0.248 134 I C 2.150 178.249 176.117 -0.029 0.000 1.111 134 I CA 1.456 62.736 61.300 -0.035 0.000 1.382 134 I CB -0.242 37.715 38.000 -0.072 0.000 1.060 134 I HN 0.236 nan 8.210 nan 0.000 0.418 135 L N 0.191 121.402 121.223 -0.022 0.000 2.599 135 L HA 0.121 4.461 4.340 -0.000 0.000 0.230 135 L C 1.645 178.526 176.870 0.018 0.000 1.141 135 L CA 0.693 55.532 54.840 -0.002 0.000 0.877 135 L CB -0.271 41.793 42.059 0.008 0.000 1.009 135 L HN 0.527 nan 8.230 nan 0.000 0.447 136 G N -0.615 108.197 108.800 0.020 0.000 2.194 136 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.236 136 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.236 136 G C 0.229 175.164 174.900 0.059 0.000 0.987 136 G CA 0.082 45.202 45.100 0.033 0.000 0.635 136 G HN 0.381 nan 8.290 nan 0.000 0.520 137 D N 1.084 121.529 120.400 0.076 0.000 2.400 137 D HA 0.260 4.900 4.640 -0.000 0.000 0.238 137 D C 1.146 177.529 176.300 0.138 0.000 1.157 137 D CA 0.793 54.870 54.000 0.128 0.000 0.889 137 D CB 0.604 41.508 40.800 0.173 0.000 1.199 137 D HN 0.430 nan 8.370 nan 0.000 0.436 138 D N 0.942 121.448 120.400 0.175 0.000 2.363 138 D HA 0.070 4.710 4.640 -0.000 0.000 0.214 138 D C 0.913 177.392 176.300 0.298 0.000 1.093 138 D CA -0.353 53.777 54.000 0.217 0.000 0.837 138 D CB 0.024 40.942 40.800 0.197 0.000 0.948 138 D HN 0.225 nan 8.370 nan 0.000 0.507 139 L N 0.314 121.704 121.223 0.279 0.000 4.429 139 L HA -0.308 4.032 4.340 -0.000 0.000 0.422 139 L C 1.778 178.757 176.870 0.181 0.000 1.149 139 L CA 1.061 56.070 54.840 0.281 0.000 0.972 139 L CB -2.949 39.285 42.059 0.291 0.000 2.059 139 L HN 0.375 nan 8.230 nan 0.000 0.870 140 S N -1.319 114.464 115.700 0.138 0.000 2.399 140 S HA -0.121 4.348 4.470 -0.000 0.000 0.231 140 S C 1.687 176.268 174.600 -0.032 0.000 1.022 140 S CA 1.259 59.468 58.200 0.016 0.000 0.983 140 S CB -0.211 62.996 63.200 0.013 0.000 0.803 140 S HN 0.646 nan 8.310 nan 0.000 0.480 141 R N 0.667 121.145 120.500 -0.036 0.000 2.310 141 R HA 0.322 4.662 4.340 -0.000 0.000 0.202 141 R C -0.556 175.785 176.300 0.069 0.000 0.933 141 R CA -0.066 55.919 56.100 -0.191 0.000 1.054 141 R CB 0.168 29.983 30.300 -0.808 0.000 0.985 141 R HN 0.250 nan 8.270 nan 0.000 0.489 142 V N 1.896 121.940 119.914 0.217 0.000 2.461 142 V HA 0.006 4.126 4.120 -0.000 0.000 0.275 142 V C 0.235 176.353 176.094 0.039 0.000 1.047 142 V CA -0.565 61.869 62.300 0.224 0.000 0.955 142 V CB 1.380 33.341 31.823 0.231 0.000 0.988 142 V HN 0.115 nan 8.190 nan 0.000 0.471 143 D N 4.982 125.385 120.400 0.004 0.000 2.551 143 D HA 0.091 4.731 4.640 -0.000 0.000 0.223 143 D C 1.275 177.546 176.300 -0.049 0.000 1.144 143 D CA -0.074 53.896 54.000 -0.051 0.000 1.025 143 D CB 0.433 41.191 40.800 -0.069 0.000 1.085 143 D HN 0.531 nan 8.370 nan 0.000 0.506 144 K N 1.321 121.674 120.400 -0.079 0.000 2.077 144 K HA -0.208 4.112 4.320 -0.000 0.000 0.213 144 K C 1.554 178.108 176.600 -0.076 0.000 1.051 144 K CA 1.072 57.303 56.287 -0.093 0.000 0.929 144 K CB 0.201 32.591 32.500 -0.183 0.000 0.715 144 K HN 0.325 nan 8.250 nan 0.000 0.451 145 E N 0.389 120.541 120.200 -0.081 0.000 2.110 145 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 145 E C 2.080 178.650 176.600 -0.050 0.000 0.988 145 E CA 1.184 57.546 56.400 -0.063 0.000 0.804 145 E CB -0.173 29.489 29.700 -0.063 0.000 0.745 145 E HN 0.367 nan 8.360 nan 0.000 0.458 146 A N 0.693 123.482 122.820 -0.052 0.000 1.898 146 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 146 A C 2.644 180.206 177.584 -0.037 0.000 1.181 146 A CA 1.368 53.376 52.037 -0.049 0.000 0.620 146 A CB -0.886 18.076 19.000 -0.063 0.000 0.819 146 A HN 0.339 nan 8.150 nan 0.000 0.442 147 C N -0.623 118.662 119.300 -0.025 0.000 2.432 147 C HA -0.073 4.387 4.460 -0.000 0.000 0.277 147 C C 2.644 177.624 174.990 -0.017 0.000 1.249 147 C CA 1.049 60.066 59.018 -0.002 0.000 1.725 147 C CB -1.533 26.227 27.740 0.034 0.000 2.028 147 C HN 0.624 nan 8.230 nan 0.000 0.477 148 L N 1.024 122.229 121.223 -0.030 0.000 2.083 148 L HA -0.157 4.183 4.340 -0.000 0.000 0.209 148 L C 2.868 179.732 176.870 -0.009 0.000 1.083 148 L CA 1.564 56.386 54.840 -0.029 0.000 0.752 148 L CB -0.799 41.236 42.059 -0.039 0.000 0.899 148 L HN 0.355 nan 8.230 nan 0.000 0.433 149 A N 0.370 123.180 122.820 -0.015 0.000 1.898 149 A HA -0.096 4.224 4.320 -0.000 0.000 0.216 149 A C 2.417 179.998 177.584 -0.005 0.000 1.181 149 A CA 1.654 53.685 52.037 -0.011 0.000 0.620 149 A CB -1.156 17.831 19.000 -0.022 0.000 0.819 149 A HN 0.428 nan 8.150 nan 0.000 0.442 150 G N -0.442 108.351 108.800 -0.011 0.000 2.402 150 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.216 150 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.216 150 G C 1.584 176.491 174.900 0.012 0.000 1.162 150 G CA 0.889 45.983 45.100 -0.009 0.000 0.777 150 G HN 0.404 nan 8.290 nan 0.000 0.539 151 L N -0.125 121.110 121.223 0.020 0.000 1.989 151 L HA -0.075 4.265 4.340 -0.000 0.000 0.211 151 L C 3.222 180.189 176.870 0.162 0.000 1.071 151 L CA 1.284 56.160 54.840 0.060 0.000 0.749 151 L CB -0.277 41.786 42.059 0.007 0.000 0.890 151 L HN 0.198 nan 8.230 nan 0.000 0.431 152 R N -0.500 120.066 120.500 0.110 0.000 2.103 152 R HA -0.218 4.122 4.340 -0.000 0.000 0.242 152 R C 2.144 178.472 176.300 0.046 0.000 1.142 152 R CA 1.492 57.651 56.100 0.097 0.000 0.960 152 R CB -0.500 29.828 30.300 0.048 0.000 0.858 152 R HN 0.456 nan 8.270 nan 0.000 0.439 153 A N 0.707 123.544 122.820 0.028 0.000 2.125 153 A HA -0.080 4.240 4.320 -0.000 0.000 0.219 153 A C 1.982 179.561 177.584 -0.008 0.000 1.156 153 A CA 1.000 53.035 52.037 -0.002 0.000 0.671 153 A CB -0.283 18.711 19.000 -0.009 0.000 0.794 153 A HN 0.205 nan 8.150 nan 0.000 0.459 154 L N -1.090 120.160 121.223 0.043 0.000 2.446 154 L HA 0.050 4.390 4.340 -0.000 0.000 0.219 154 L C 1.394 178.217 176.870 -0.077 0.000 1.116 154 L CA 0.011 54.884 54.840 0.055 0.000 0.844 154 L CB -0.217 41.944 42.059 0.169 0.000 0.970 154 L HN 0.497 nan 8.230 nan 0.000 0.457 155 Q N 1.427 121.041 119.800 -0.309 0.000 2.314 155 Q HA 0.322 4.662 4.340 -0.000 0.000 0.258 155 Q C -0.587 175.158 176.000 -0.424 0.000 0.954 155 Q CA -0.095 55.207 55.803 -0.836 0.000 0.890 155 Q CB 0.931 29.061 28.738 -1.014 0.000 1.210 155 Q HN 0.232 nan 8.270 nan 0.000 0.410 156 L N 1.776 122.758 121.223 -0.402 0.000 2.416 156 L HA 0.192 4.532 4.340 -0.000 0.000 0.263 156 L C 1.518 178.282 176.870 -0.178 0.000 1.065 156 L CA -0.530 54.180 54.840 -0.218 0.000 0.798 156 L CB 0.851 42.813 42.059 -0.162 0.000 1.267 156 L HN 0.668 nan 8.230 nan 0.000 0.467 157 E N 0.564 120.704 120.200 -0.100 0.000 2.118 157 E HA -0.228 4.122 4.350 -0.000 0.000 0.195 157 E C 1.236 177.809 176.600 -0.044 0.000 0.992 157 E CA 1.712 58.074 56.400 -0.064 0.000 0.804 157 E CB -0.361 29.319 29.700 -0.034 0.000 0.741 157 E HN 0.877 nan 8.360 nan 0.000 0.458 158 D N -1.925 118.459 120.400 -0.027 0.000 2.363 158 D HA 0.131 4.771 4.640 -0.000 0.000 0.226 158 D C 1.436 177.774 176.300 0.064 0.000 1.020 158 D CA 1.091 55.123 54.000 0.052 0.000 0.892 158 D CB -0.091 40.792 40.800 0.138 0.000 0.900 158 D HN 0.494 nan 8.370 nan 0.000 0.531 159 G N -0.234 108.514 108.800 -0.087 0.000 2.234 159 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.235 159 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.235 159 G C 0.570 175.284 174.900 -0.310 0.000 0.997 159 G CA 0.432 45.462 45.100 -0.118 0.000 0.623 159 G HN 0.827 nan 8.290 nan 0.000 0.514 160 S N -0.206 115.164 115.700 -0.549 0.000 2.640 160 S HA 0.814 5.284 4.470 -0.000 0.000 0.262 160 S C -0.138 174.196 174.600 -0.444 0.000 1.232 160 S CA -0.256 57.547 58.200 -0.661 0.000 0.988 160 S CB 1.217 63.710 63.200 -1.179 0.000 1.034 160 S HN 0.574 nan 8.310 nan 0.000 0.569 161 F N -1.450 118.416 119.950 -0.140 0.000 2.593 161 F HA 0.596 5.123 4.527 -0.000 0.000 0.320 161 F C 0.293 176.150 175.800 0.096 0.000 1.060 161 F CA -0.986 57.006 58.000 -0.013 0.000 0.940 161 F CB 1.539 40.554 39.000 0.026 0.000 1.268 161 F HN 0.666 nan 8.300 nan 0.000 0.475 162 C N 0.451 119.861 119.300 0.183 0.000 2.345 162 C HA 0.704 5.164 4.460 -0.000 0.000 0.370 162 C C 1.443 176.230 174.990 -0.338 0.000 1.209 162 C CA -0.043 58.999 59.018 0.040 0.000 2.133 162 C CB 1.383 29.113 27.740 -0.017 0.000 2.293 162 C HN 0.971 nan 8.230 nan 0.000 0.544 163 A N 0.434 122.818 122.820 -0.727 0.000 1.997 163 A HA 0.376 4.696 4.320 -0.000 0.000 0.212 163 A C 0.583 177.745 177.584 -0.703 0.000 1.178 163 A CA 1.161 52.476 52.037 -1.203 0.000 0.698 163 A CB -0.159 17.842 19.000 -1.665 0.000 0.842 163 A HN 1.291 nan 8.150 nan 0.000 0.458 164 V N -4.839 114.853 119.914 -0.369 0.000 2.925 164 V HA 0.509 4.629 4.120 -0.000 0.000 0.311 164 V C -2.393 173.649 176.094 -0.087 0.000 1.104 164 V CA -1.658 60.536 62.300 -0.178 0.000 0.954 164 V CB 1.863 33.643 31.823 -0.072 0.000 1.022 164 V HN 0.063 nan 8.190 nan 0.000 0.427 165 P HA -0.117 nan 4.420 nan 0.000 0.219 165 P C 0.938 178.232 177.300 -0.010 0.000 1.146 165 P CA 1.390 64.472 63.100 -0.030 0.000 0.808 165 P CB 0.427 32.111 31.700 -0.027 0.000 0.779 166 E N -0.243 119.963 120.200 0.010 0.000 2.347 166 E HA 0.223 4.572 4.350 -0.000 0.000 0.196 166 E C 1.119 177.738 176.600 0.033 0.000 1.008 166 E CA 0.888 57.310 56.400 0.038 0.000 0.852 166 E CB -0.558 29.193 29.700 0.086 0.000 0.783 166 E HN 0.357 nan 8.360 nan 0.000 0.505 167 G N -0.564 108.244 108.800 0.014 0.000 2.592 167 G HA2 0.251 4.211 3.960 -0.000 0.000 0.685 167 G HA3 0.251 4.211 3.960 -0.000 0.000 0.685 167 G C -0.373 174.544 174.900 0.028 0.000 1.278 167 G CA -0.503 44.608 45.100 0.018 0.000 0.822 167 G HN 0.610 nan 8.290 nan 0.000 0.652 168 S N -0.552 115.172 115.700 0.040 0.000 2.669 168 S HA 0.720 5.190 4.470 -0.000 0.000 0.266 168 S C -0.453 174.216 174.600 0.115 0.000 1.149 168 S CA 0.121 58.367 58.200 0.077 0.000 0.842 168 S CB 1.358 64.593 63.200 0.058 0.000 1.160 168 S HN 2.087 nan 8.310 nan 0.000 0.487 169 E N 1.400 121.702 120.200 0.169 0.000 2.408 169 E HA 0.294 4.643 4.350 -0.000 0.000 0.259 169 E C -0.811 175.934 176.600 0.242 0.000 1.110 169 E CA -0.374 56.124 56.400 0.164 0.000 0.929 169 E CB 0.089 29.875 29.700 0.143 0.000 0.971 169 E HN 0.754 nan 8.360 nan 0.000 0.438 170 N N 0.692 119.485 118.700 0.156 0.000 2.249 170 N HA 0.406 5.146 4.740 -0.000 0.000 0.296 170 N C -1.344 174.192 175.510 0.044 0.000 1.051 170 N CA -0.521 52.625 53.050 0.161 0.000 0.815 170 N CB 2.137 40.667 38.487 0.072 0.000 1.487 170 N HN 0.641 nan 8.380 nan 0.000 0.475 171 D N -0.326 120.056 120.400 -0.031 0.000 2.879 171 D HA 0.111 4.751 4.640 -0.000 0.000 0.346 171 D C 0.564 176.841 176.300 -0.038 0.000 1.390 171 D CA -0.658 53.324 54.000 -0.030 0.000 0.838 171 D CB 0.438 41.190 40.800 -0.079 0.000 1.416 171 D HN 0.213 nan 8.370 nan 0.000 0.493 172 M N 0.057 119.713 119.600 0.093 0.000 2.202 172 M HA 0.046 4.526 4.480 -0.000 0.000 0.262 172 M C 1.832 178.142 176.300 0.017 0.000 1.063 172 M CA 1.780 57.154 55.300 0.123 0.000 1.097 172 M CB -0.397 32.269 32.600 0.109 0.000 1.382 172 M HN 0.460 nan 8.290 nan 0.000 0.413 173 R N -1.283 119.121 120.500 -0.162 0.000 2.096 173 R HA -0.178 4.162 4.340 -0.000 0.000 0.240 173 R C 2.069 178.383 176.300 0.023 0.000 1.139 173 R CA 2.095 58.096 56.100 -0.165 0.000 0.952 173 R CB -0.736 29.293 30.300 -0.451 0.000 0.854 173 R HN 0.431 nan 8.270 nan 0.000 0.436 174 F N -0.371 119.628 119.950 0.082 0.000 2.456 174 F HA -0.081 4.446 4.527 -0.000 0.000 0.298 174 F C 2.244 177.995 175.800 -0.082 0.000 1.104 174 F CA -0.132 57.879 58.000 0.017 0.000 1.435 174 F CB 0.019 39.047 39.000 0.047 0.000 1.078 174 F HN -0.166 nan 8.300 nan 0.000 0.546 175 V N -0.386 119.631 119.914 0.171 0.000 2.358 175 V HA -0.321 3.799 4.120 -0.000 0.000 0.246 175 V C 2.033 178.138 176.094 0.017 0.000 1.047 175 V CA 1.748 64.119 62.300 0.119 0.000 1.035 175 V CB -0.753 31.207 31.823 0.229 0.000 0.658 175 V HN 0.383 nan 8.190 nan 0.000 0.452 176 Y N 0.231 120.506 120.300 -0.040 0.000 2.181 176 Y HA -0.257 4.293 4.550 -0.000 0.000 0.288 176 Y C 2.524 178.295 175.900 -0.215 0.000 1.146 176 Y CA 1.600 59.648 58.100 -0.088 0.000 1.164 176 Y CB -0.707 37.739 38.460 -0.023 0.000 0.982 176 Y HN 0.236 nan 8.280 nan 0.000 0.515 177 C N 0.292 119.431 119.300 -0.269 0.000 2.432 177 C HA -0.129 4.331 4.460 -0.000 0.000 0.277 177 C C 3.082 177.789 174.990 -0.471 0.000 1.249 177 C CA 1.268 60.021 59.018 -0.442 0.000 1.725 177 C CB -1.734 25.970 27.740 -0.060 0.000 2.028 177 C HN 0.736 nan 8.230 nan 0.000 0.477 178 A N 0.326 122.837 122.820 -0.514 0.000 1.902 178 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 178 A C 2.261 179.570 177.584 -0.457 0.000 1.181 178 A CA 2.369 54.016 52.037 -0.650 0.000 0.623 178 A CB -0.856 17.285 19.000 -1.432 0.000 0.818 178 A HN 0.561 nan 8.150 nan 0.000 0.443 179 S N -0.845 114.651 115.700 -0.341 0.000 2.359 179 S HA -0.222 4.248 4.470 -0.000 0.000 0.224 179 S C 1.964 176.366 174.600 -0.329 0.000 1.035 179 S CA 1.519 59.624 58.200 -0.160 0.000 1.018 179 S CB -0.764 62.460 63.200 0.040 0.000 0.876 179 S HN 0.719 nan 8.310 nan 0.000 0.448 180 C N 1.258 120.254 119.300 -0.507 0.000 2.425 180 C HA -0.008 4.452 4.460 -0.000 0.000 0.277 180 C C 2.439 177.295 174.990 -0.223 0.000 1.280 180 C CA 0.284 59.046 59.018 -0.428 0.000 1.744 180 C CB -1.413 25.847 27.740 -0.801 0.000 1.989 180 C HN 0.542 nan 8.230 nan 0.000 0.491 181 I N -0.019 120.385 120.570 -0.276 0.000 2.142 181 I HA -0.241 3.929 4.170 -0.000 0.000 0.240 181 I C 2.627 178.574 176.117 -0.284 0.000 1.078 181 I CA 1.526 62.707 61.300 -0.199 0.000 1.343 181 I CB -0.611 37.271 38.000 -0.197 0.000 1.046 181 I HN 0.346 nan 8.210 nan 0.000 0.405 182 C N -0.127 118.869 119.300 -0.506 0.000 2.401 182 C HA -0.251 4.209 4.460 -0.000 0.000 0.276 182 C C 2.815 177.276 174.990 -0.882 0.000 1.233 182 C CA 0.921 59.438 59.018 -0.835 0.000 1.753 182 C CB -1.086 25.797 27.740 -1.428 0.000 2.029 182 C HN 0.513 nan 8.230 nan 0.000 0.478 183 Y N 0.927 120.747 120.300 -0.800 0.000 2.145 183 Y HA -0.182 4.367 4.550 -0.000 0.000 0.286 183 Y C 2.488 178.371 175.900 -0.029 0.000 1.145 183 Y CA 1.790 59.724 58.100 -0.277 0.000 1.148 183 Y CB -0.363 38.083 38.460 -0.022 0.000 0.981 183 Y HN 0.247 nan 8.280 nan 0.000 0.507 184 M N -0.616 119.061 119.600 0.130 0.000 2.175 184 M HA -0.180 4.300 4.480 -0.000 0.000 0.264 184 M C 1.705 178.158 176.300 0.255 0.000 1.063 184 M CA 1.421 56.844 55.300 0.206 0.000 1.119 184 M CB -0.288 32.398 32.600 0.143 0.000 1.377 184 M HN 0.247 nan 8.290 nan 0.000 0.415 185 L N 0.141 121.409 121.223 0.075 0.000 2.599 185 L HA 0.016 4.356 4.340 -0.000 0.000 0.230 185 L C 0.422 177.316 176.870 0.040 0.000 1.141 185 L CA -0.159 54.757 54.840 0.127 0.000 0.877 185 L CB -0.953 41.088 42.059 -0.030 0.000 1.009 185 L HN 0.446 nan 8.230 nan 0.000 0.447 186 N N 2.098 120.661 118.700 -0.229 0.000 2.707 186 N HA -0.273 4.467 4.740 -0.000 0.000 0.253 186 N C -0.440 174.953 175.510 -0.194 0.000 0.998 186 N CA 0.454 53.236 53.050 -0.447 0.000 0.751 186 N CB -0.842 37.016 38.487 -1.048 0.000 0.920 186 N HN 0.482 nan 8.380 nan 0.000 0.539 187 N N -0.000 118.551 118.700 -0.248 0.000 2.578 187 N HA 0.157 4.897 4.740 -0.000 0.000 0.282 187 N C -0.890 174.480 175.510 -0.232 0.000 1.119 187 N CA -0.563 52.416 53.050 -0.118 0.000 0.948 187 N CB 0.072 38.513 38.487 -0.077 0.000 1.546 187 N HN 0.274 nan 8.380 nan 0.000 0.525 188 W N 2.068 123.369 121.300 0.003 0.000 3.400 188 W HA 0.175 4.835 4.660 -0.000 0.000 0.347 188 W C 1.801 178.336 176.519 0.028 0.000 1.218 188 W CA -0.161 57.197 57.345 0.022 0.000 1.837 188 W CB 0.081 29.559 29.460 0.031 0.000 1.067 188 W HN 0.648 nan 8.180 nan 0.000 0.701 189 S N -1.442 114.335 115.700 0.129 0.000 2.561 189 S HA 0.019 4.489 4.470 -0.000 0.000 0.225 189 S C 1.959 176.605 174.600 0.076 0.000 0.977 189 S CA 0.776 59.035 58.200 0.097 0.000 0.926 189 S CB -0.365 62.866 63.200 0.052 0.000 0.769 189 S HN 0.267 nan 8.310 nan 0.000 0.533 190 G N 1.465 110.294 108.800 0.048 0.000 2.598 190 G HA2 0.279 4.239 3.960 -0.000 0.000 0.215 190 G HA3 0.279 4.239 3.960 -0.000 0.000 0.215 190 G C 0.409 175.397 174.900 0.146 0.000 1.131 190 G CA 0.624 45.748 45.100 0.041 0.000 0.785 190 G HN 0.740 nan 8.290 nan 0.000 0.539 191 M N -2.207 117.518 119.600 0.209 0.000 2.622 191 M HA 0.511 4.991 4.480 -0.000 0.000 0.276 191 M C -2.106 174.329 176.300 0.225 0.000 1.265 191 M CA -1.046 54.440 55.300 0.310 0.000 0.850 191 M CB 2.163 35.060 32.600 0.494 0.000 1.720 191 M HN -0.177 nan 8.290 nan 0.000 0.465 192 D N 1.968 122.467 120.400 0.165 0.000 2.500 192 D HA 0.265 4.905 4.640 -0.000 0.000 0.219 192 D C 0.643 177.015 176.300 0.121 0.000 1.137 192 D CA -0.183 53.877 54.000 0.100 0.000 0.946 192 D CB 0.829 41.648 40.800 0.031 0.000 1.022 192 D HN 0.840 nan 8.370 nan 0.000 0.518 193 M N 3.065 122.750 119.600 0.142 0.000 2.144 193 M HA -0.234 4.246 4.480 -0.000 0.000 0.260 193 M C 1.872 178.203 176.300 0.053 0.000 1.067 193 M CA 1.563 56.931 55.300 0.113 0.000 1.095 193 M CB 0.146 32.771 32.600 0.041 0.000 1.365 193 M HN 0.277 nan 8.290 nan 0.000 0.406 194 K N 0.173 120.591 120.400 0.029 0.000 2.026 194 K HA -0.203 4.117 4.320 -0.000 0.000 0.208 194 K C 1.786 178.398 176.600 0.020 0.000 1.048 194 K CA 1.660 57.951 56.287 0.007 0.000 0.929 194 K CB -0.012 32.488 32.500 0.000 0.000 0.713 194 K HN 0.346 nan 8.250 nan 0.000 0.439 195 K N -0.145 120.273 120.400 0.031 0.000 2.097 195 K HA -0.067 4.253 4.320 -0.000 0.000 0.205 195 K C 2.149 178.795 176.600 0.076 0.000 1.050 195 K CA 0.983 57.290 56.287 0.033 0.000 0.938 195 K CB -0.063 32.437 32.500 -0.001 0.000 0.718 195 K HN 0.209 nan 8.250 nan 0.000 0.442 196 A N 1.677 124.561 122.820 0.106 0.000 1.877 196 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 196 A C 2.102 179.784 177.584 0.164 0.000 1.186 196 A CA 1.232 53.379 52.037 0.183 0.000 0.620 196 A CB -0.571 18.588 19.000 0.265 0.000 0.822 196 A HN 0.158 nan 8.150 nan 0.000 0.443 197 I N -0.449 120.169 120.570 0.079 0.000 2.286 197 I HA -0.234 3.936 4.170 -0.000 0.000 0.248 197 I C 2.846 178.957 176.117 -0.009 0.000 1.115 197 I CA 1.516 62.818 61.300 0.003 0.000 1.392 197 I CB -0.252 37.713 38.000 -0.058 0.000 1.065 197 I HN 0.450 nan 8.210 nan 0.000 0.418 198 S N 0.223 115.936 115.700 0.022 0.000 2.368 198 S HA -0.278 4.191 4.470 -0.000 0.000 0.225 198 S C 2.191 176.813 174.600 0.038 0.000 1.030 198 S CA 1.384 59.592 58.200 0.013 0.000 0.999 198 S CB -0.461 62.756 63.200 0.028 0.000 0.844 198 S HN 0.498 nan 8.310 nan 0.000 0.459 199 Y N 1.798 122.096 120.300 -0.003 0.000 2.181 199 Y HA -0.037 4.513 4.550 -0.000 0.000 0.288 199 Y C 1.951 177.862 175.900 0.018 0.000 1.146 199 Y CA 1.838 59.946 58.100 0.012 0.000 1.164 199 Y CB -0.373 38.107 38.460 0.034 0.000 0.982 199 Y HN 0.307 nan 8.280 nan 0.000 0.515 200 I N -0.340 120.287 120.570 0.096 0.000 2.226 200 I HA -0.324 3.846 4.170 -0.000 0.000 0.245 200 I C 2.571 178.685 176.117 -0.005 0.000 1.100 200 I CA 1.393 62.720 61.300 0.045 0.000 1.374 200 I CB -0.454 37.593 38.000 0.078 0.000 1.057 200 I HN 0.167 nan 8.210 nan 0.000 0.413 201 R N 0.705 121.170 120.500 -0.059 0.000 2.073 201 R HA -0.102 4.238 4.340 -0.000 0.000 0.234 201 R C 2.397 178.690 176.300 -0.011 0.000 1.134 201 R CA 1.274 57.360 56.100 -0.023 0.000 0.952 201 R CB -0.268 29.967 30.300 -0.107 0.000 0.850 201 R HN 0.322 nan 8.270 nan 0.000 0.433 202 R N 0.409 120.852 120.500 -0.096 0.000 2.241 202 R HA -0.073 4.267 4.340 -0.000 0.000 0.224 202 R C 2.126 178.318 176.300 -0.180 0.000 1.101 202 R CA 1.433 57.456 56.100 -0.128 0.000 0.995 202 R CB -0.100 30.105 30.300 -0.157 0.000 0.870 202 R HN 0.261 nan 8.270 nan 0.000 0.463 203 S N -0.200 115.364 115.700 -0.225 0.000 2.562 203 S HA -0.007 4.463 4.470 -0.000 0.000 0.221 203 S C 0.928 175.431 174.600 -0.161 0.000 0.975 203 S CA -0.231 57.830 58.200 -0.232 0.000 0.918 203 S CB -0.008 63.029 63.200 -0.271 0.000 0.772 203 S HN 0.193 nan 8.310 nan 0.000 0.531 204 M N 3.076 122.614 119.600 -0.104 0.000 2.246 204 M HA 0.233 4.713 4.480 -0.000 0.000 0.350 204 M C 0.343 176.547 176.300 -0.160 0.000 1.406 204 M CA -0.005 55.209 55.300 -0.144 0.000 1.089 204 M CB 0.774 33.332 32.600 -0.069 0.000 1.782 204 M HN 0.319 nan 8.290 nan 0.000 0.457 205 S N 3.468 119.013 115.700 -0.259 0.000 2.681 205 S HA 0.191 4.661 4.470 -0.000 0.000 0.270 205 S C 0.744 175.203 174.600 -0.235 0.000 1.209 205 S CA -0.430 57.612 58.200 -0.263 0.000 0.988 205 S CB 0.500 63.434 63.200 -0.442 0.000 1.006 205 S HN 0.743 nan 8.310 nan 0.000 0.558 206 Y N 0.724 120.985 120.300 -0.065 0.000 2.352 206 Y HA 0.050 4.600 4.550 -0.000 0.000 0.292 206 Y C 1.517 177.404 175.900 -0.022 0.000 1.136 206 Y CA 1.310 59.388 58.100 -0.036 0.000 1.227 206 Y CB -0.777 37.672 38.460 -0.018 0.000 0.991 206 Y HN 0.634 nan 8.280 nan 0.000 0.545 207 D N -0.960 118.996 120.400 -0.739 0.000 2.328 207 D HA -0.059 4.581 4.640 -0.000 0.000 0.226 207 D C 0.167 176.363 176.300 -0.173 0.000 1.066 207 D CA 0.472 54.271 54.000 -0.336 0.000 0.861 207 D CB -0.680 39.914 40.800 -0.343 0.000 0.912 207 D HN 0.483 nan 8.370 nan 0.000 0.521 208 N N -1.041 117.487 118.700 -0.286 0.000 2.965 208 N HA -0.097 4.643 4.740 -0.000 0.000 0.232 208 N C 0.669 175.873 175.510 -0.511 0.000 0.913 208 N CA 1.134 54.016 53.050 -0.281 0.000 0.981 208 N CB -1.546 36.878 38.487 -0.105 0.000 1.077 208 N HN 0.490 nan 8.380 nan 0.000 0.589 209 G N 0.005 108.204 108.800 -1.002 0.000 2.535 209 G HA2 0.612 4.572 3.960 -0.000 0.000 0.303 209 G HA3 0.612 4.572 3.960 -0.000 0.000 0.303 209 G C -0.294 174.102 174.900 -0.839 0.000 1.237 209 G CA -0.378 43.812 45.100 -1.516 0.000 0.986 209 G HN 0.030 nan 8.290 nan 0.000 0.494 210 L N 0.376 121.186 121.223 -0.689 0.000 2.307 210 L HA 0.684 5.023 4.340 -0.000 0.000 0.284 210 L C 0.772 177.464 176.870 -0.298 0.000 1.023 210 L CA -0.537 54.083 54.840 -0.367 0.000 0.810 210 L CB 1.169 43.101 42.059 -0.212 0.000 1.231 210 L HN 0.707 nan 8.230 nan 0.000 0.423 211 A N 2.238 124.928 122.820 -0.216 0.000 2.263 211 A HA 0.497 4.817 4.320 -0.000 0.000 0.318 211 A C 0.785 178.312 177.584 -0.095 0.000 1.111 211 A CA -0.342 51.610 52.037 -0.141 0.000 0.901 211 A CB 0.597 19.521 19.000 -0.128 0.000 1.280 211 A HN 0.698 nan 8.150 nan 0.000 0.503 212 Q N -0.624 119.133 119.800 -0.073 0.000 2.291 212 Q HA 0.077 4.417 4.340 -0.000 0.000 0.206 212 Q C 0.750 176.778 176.000 0.047 0.000 0.976 212 Q CA 1.389 57.171 55.803 -0.035 0.000 0.875 212 Q CB -0.054 28.640 28.738 -0.073 0.000 0.927 212 Q HN 0.903 nan 8.270 nan 0.000 0.450 213 G N -1.442 107.337 108.800 -0.036 0.000 2.559 213 G HA2 0.516 4.476 3.960 -0.000 0.000 0.291 213 G HA3 0.516 4.476 3.960 -0.000 0.000 0.291 213 G C -1.559 173.247 174.900 -0.157 0.000 1.424 213 G CA -0.385 44.655 45.100 -0.100 0.000 0.786 213 G HN 0.134 nan 8.290 nan 0.000 0.485 214 A N -0.777 121.917 122.820 -0.210 0.000 2.567 214 A HA 0.518 4.838 4.320 -0.000 0.000 0.240 214 A C 1.768 179.316 177.584 -0.060 0.000 1.053 214 A CA 1.789 53.745 52.037 -0.137 0.000 0.755 214 A CB -0.364 18.564 19.000 -0.121 0.000 0.978 214 A HN 2.844 nan 8.150 nan 0.000 0.507 215 G N 0.899 109.675 108.800 -0.040 0.000 2.304 215 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.252 215 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.252 215 G C 0.205 175.110 174.900 0.009 0.000 1.014 215 G CA 0.404 45.504 45.100 0.000 0.000 0.619 215 G HN 0.772 nan 8.290 nan 0.000 0.525 216 L N 1.305 122.518 121.223 -0.017 0.000 2.472 216 L HA 0.460 4.800 4.340 -0.000 0.000 0.260 216 L C 1.075 177.934 176.870 -0.018 0.000 1.209 216 L CA -0.518 54.316 54.840 -0.011 0.000 0.817 216 L CB 0.650 42.694 42.059 -0.024 0.000 1.106 216 L HN 0.483 nan 8.230 nan 0.000 0.479 217 E N 0.459 120.660 120.200 0.002 0.000 2.366 217 E HA 0.093 4.443 4.350 -0.000 0.000 0.266 217 E C -0.248 176.330 176.600 -0.037 0.000 1.015 217 E CA -0.401 56.001 56.400 0.004 0.000 0.906 217 E CB 0.649 30.378 29.700 0.048 0.000 0.979 217 E HN 0.633 nan 8.360 nan 0.000 0.443 218 S N 4.541 120.159 115.700 -0.136 0.000 2.563 218 S HA 0.001 4.471 4.470 -0.000 0.000 0.284 218 S C -0.180 174.393 174.600 -0.044 0.000 1.331 218 S CA -0.364 57.670 58.200 -0.277 0.000 1.047 218 S CB 0.805 63.595 63.200 -0.683 0.000 0.859 218 S HN 0.685 nan 8.310 nan 0.000 0.514 219 H N 0.609 119.566 119.070 -0.190 0.000 2.974 219 H HA 0.351 4.907 4.556 -0.000 0.000 0.366 219 H C 1.123 176.528 175.328 0.128 0.000 1.155 219 H CA 0.009 56.082 56.048 0.041 0.000 1.186 219 H CB 1.506 31.254 29.762 -0.022 0.000 1.799 219 H HN 0.721 nan 8.280 nan 0.000 0.541 220 G N 1.922 110.704 108.800 -0.030 0.000 2.469 220 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.219 220 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.219 220 G C 1.456 176.519 174.900 0.271 0.000 1.150 220 G CA 0.914 46.150 45.100 0.226 0.000 0.763 220 G HN 0.661 nan 8.290 nan 0.000 0.561 221 G N 0.864 109.865 108.800 0.335 0.000 2.404 221 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.215 221 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.215 221 G C 2.224 177.093 174.900 -0.052 0.000 1.174 221 G CA 1.837 46.858 45.100 -0.131 0.000 0.780 221 G HN 0.655 nan 8.290 nan 0.000 0.537 222 S N 0.006 115.745 115.700 0.065 0.000 2.406 222 S HA -0.074 4.396 4.470 -0.000 0.000 0.228 222 S C 2.218 176.812 174.600 -0.010 0.000 1.020 222 S CA 1.773 59.962 58.200 -0.018 0.000 0.965 222 S CB -0.579 62.594 63.200 -0.045 0.000 0.798 222 S HN 0.260 nan 8.310 nan 0.000 0.488 223 T N 2.077 116.636 114.554 0.008 0.000 2.777 223 T HA 0.014 4.364 4.350 -0.000 0.000 0.266 223 T C 1.278 175.993 174.700 0.026 0.000 1.040 223 T CA 1.398 63.481 62.100 -0.028 0.000 1.141 223 T CB -0.539 68.311 68.868 -0.028 0.000 0.868 223 T HN 0.502 nan 8.240 nan 0.000 0.444 224 F N 1.462 121.401 119.950 -0.018 0.000 2.102 224 F HA -0.160 4.367 4.527 -0.000 0.000 0.298 224 F C 2.436 178.178 175.800 -0.096 0.000 1.105 224 F CA 0.754 58.732 58.000 -0.036 0.000 1.239 224 F CB -0.884 38.139 39.000 0.038 0.000 0.991 224 F HN 0.146 nan 8.300 nan 0.000 0.474 225 C N 1.056 120.235 119.300 -0.202 0.000 2.413 225 C HA -0.124 4.336 4.460 -0.000 0.000 0.276 225 C C 3.107 178.012 174.990 -0.140 0.000 1.236 225 C CA 1.362 60.212 59.018 -0.281 0.000 1.735 225 C CB -1.960 25.753 27.740 -0.045 0.000 2.031 225 C HN 0.757 nan 8.230 nan 0.000 0.474 226 G N 0.502 109.266 108.800 -0.060 0.000 2.414 226 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.215 226 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.215 226 G C 1.377 176.283 174.900 0.011 0.000 1.188 226 G CA 0.753 45.867 45.100 0.024 0.000 0.783 226 G HN 0.352 nan 8.290 nan 0.000 0.537 227 I N 2.074 122.618 120.570 -0.043 0.000 2.179 227 I HA -0.138 4.032 4.170 -0.000 0.000 0.242 227 I C 3.279 179.341 176.117 -0.091 0.000 1.088 227 I CA 1.234 62.520 61.300 -0.022 0.000 1.357 227 I CB -1.397 36.580 38.000 -0.040 0.000 1.051 227 I HN 0.261 nan 8.210 nan 0.000 0.409 228 A N 0.169 122.811 122.820 -0.297 0.000 1.933 228 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 228 A C 2.600 180.181 177.584 -0.005 0.000 1.175 228 A CA 2.067 53.946 52.037 -0.264 0.000 0.628 228 A CB -0.736 17.797 19.000 -0.777 0.000 0.814 228 A HN 0.420 nan 8.150 nan 0.000 0.444 229 S N -0.164 115.569 115.700 0.056 0.000 2.356 229 S HA -0.093 4.377 4.470 -0.000 0.000 0.223 229 S C 1.841 176.495 174.600 0.090 0.000 1.032 229 S CA 1.446 59.727 58.200 0.136 0.000 1.005 229 S CB -0.451 62.843 63.200 0.157 0.000 0.867 229 S HN 0.524 nan 8.310 nan 0.000 0.449 230 L N 0.673 121.924 121.223 0.047 0.000 2.046 230 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 230 L C 2.620 179.494 176.870 0.007 0.000 1.077 230 L CA 0.950 55.796 54.840 0.009 0.000 0.747 230 L CB -0.784 41.285 42.059 0.017 0.000 0.896 230 L HN 0.420 nan 8.230 nan 0.000 0.432 231 C N -0.494 118.823 119.300 0.028 0.000 2.413 231 C HA -0.161 4.299 4.460 -0.000 0.000 0.276 231 C C 2.653 177.678 174.990 0.057 0.000 1.248 231 C CA 0.215 59.256 59.018 0.038 0.000 1.742 231 C CB -0.788 26.975 27.740 0.038 0.000 2.017 231 C HN 0.401 nan 8.230 nan 0.000 0.481 232 L N 0.248 121.512 121.223 0.068 0.000 2.191 232 L HA -0.067 4.273 4.340 -0.000 0.000 0.212 232 L C 2.260 179.279 176.870 0.248 0.000 1.103 232 L CA 1.788 56.700 54.840 0.119 0.000 0.769 232 L CB -0.671 41.469 42.059 0.134 0.000 0.908 232 L HN 0.390 nan 8.230 nan 0.000 0.438 233 M N -1.723 117.863 119.600 -0.024 0.000 2.556 233 M HA 0.242 4.722 4.480 -0.000 0.000 0.245 233 M C 1.224 177.379 176.300 -0.242 0.000 1.128 233 M CA 0.625 55.661 55.300 -0.440 0.000 1.069 233 M CB -0.062 32.248 32.600 -0.484 0.000 1.469 233 M HN 0.284 nan 8.290 nan 0.000 0.494 234 G N 1.910 110.671 108.800 -0.064 0.000 2.295 234 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.287 234 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.287 234 G C 0.371 175.234 174.900 -0.061 0.000 1.055 234 G CA 0.135 45.219 45.100 -0.028 0.000 0.922 234 G HN 0.408 nan 8.290 nan 0.000 0.503 235 K N -0.536 119.822 120.400 -0.071 0.000 2.564 235 K HA 0.315 4.635 4.320 -0.000 0.000 0.201 235 K C 2.028 178.595 176.600 -0.054 0.000 1.086 235 K CA -0.444 55.795 56.287 -0.079 0.000 1.062 235 K CB 0.132 32.558 32.500 -0.123 0.000 0.849 235 K HN 0.421 nan 8.250 nan 0.000 0.529 236 L N 1.538 122.757 121.223 -0.008 0.000 1.956 236 L HA -0.234 4.106 4.340 -0.000 0.000 0.216 236 L C 1.780 178.685 176.870 0.059 0.000 1.073 236 L CA 1.904 56.772 54.840 0.047 0.000 0.762 236 L CB 0.033 42.137 42.059 0.075 0.000 0.889 236 L HN 0.263 nan 8.230 nan 0.000 0.433 237 E N -0.484 119.744 120.200 0.046 0.000 2.204 237 E HA -0.301 4.049 4.350 -0.000 0.000 0.195 237 E C 1.850 178.462 176.600 0.020 0.000 0.990 237 E CA 1.324 57.753 56.400 0.048 0.000 0.821 237 E CB -0.170 29.551 29.700 0.036 0.000 0.750 237 E HN 0.630 nan 8.360 nan 0.000 0.477 238 E N 0.834 121.024 120.200 -0.017 0.000 2.285 238 E HA -0.075 4.275 4.350 -0.000 0.000 0.194 238 E C 1.858 178.408 176.600 -0.084 0.000 0.997 238 E CA 0.394 56.768 56.400 -0.043 0.000 0.845 238 E CB 0.446 30.113 29.700 -0.055 0.000 0.782 238 E HN 0.022 nan 8.360 nan 0.000 0.491 239 V N 0.201 120.028 119.914 -0.144 0.000 2.685 239 V HA 0.087 4.207 4.120 -0.000 0.000 0.244 239 V C 0.549 176.418 176.094 -0.376 0.000 1.054 239 V CA 0.740 62.848 62.300 -0.320 0.000 1.076 239 V CB 0.005 31.523 31.823 -0.509 0.000 0.725 239 V HN 0.093 nan 8.190 nan 0.000 0.467 240 F N 0.734 120.676 119.950 -0.014 0.000 2.469 240 F HA 0.485 5.012 4.527 -0.000 0.000 0.332 240 F C 0.899 176.696 175.800 -0.005 0.000 1.103 240 F CA -0.757 57.236 58.000 -0.012 0.000 0.979 240 F CB 1.615 40.607 39.000 -0.014 0.000 1.137 240 F HN -0.007 nan 8.300 nan 0.000 0.463 241 S N 1.172 116.998 115.700 0.211 0.000 2.608 241 S HA 0.040 4.510 4.470 -0.000 0.000 0.261 241 S C 1.118 175.776 174.600 0.097 0.000 1.314 241 S CA -0.410 57.858 58.200 0.113 0.000 0.992 241 S CB 1.171 64.419 63.200 0.082 0.000 0.935 241 S HN 0.880 nan 8.310 nan 0.000 0.564 242 E N 0.523 120.761 120.200 0.064 0.000 2.110 242 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 242 E C 2.057 178.679 176.600 0.036 0.000 0.988 242 E CA 1.279 57.708 56.400 0.049 0.000 0.804 242 E CB -0.169 29.554 29.700 0.038 0.000 0.745 242 E HN 0.565 nan 8.360 nan 0.000 0.458 243 K N 0.493 120.913 120.400 0.033 0.000 2.057 243 K HA -0.164 4.156 4.320 -0.000 0.000 0.207 243 K C 1.859 178.464 176.600 0.008 0.000 1.049 243 K CA 1.815 58.114 56.287 0.021 0.000 0.931 243 K CB -0.324 32.190 32.500 0.023 0.000 0.714 243 K HN 0.387 nan 8.250 nan 0.000 0.440 244 E N 0.073 120.283 120.200 0.016 0.000 2.051 244 E HA -0.082 4.268 4.350 -0.000 0.000 0.192 244 E C 2.201 178.730 176.600 -0.117 0.000 0.991 244 E CA 1.703 58.080 56.400 -0.038 0.000 0.799 244 E CB -0.210 29.518 29.700 0.046 0.000 0.748 244 E HN 0.320 nan 8.360 nan 0.000 0.449 245 L N 1.320 122.511 121.223 -0.054 0.000 2.127 245 L HA -0.204 4.136 4.340 -0.000 0.000 0.211 245 L C 2.033 178.884 176.870 -0.032 0.000 1.089 245 L CA 0.632 55.436 54.840 -0.060 0.000 0.757 245 L CB -0.424 41.650 42.059 0.026 0.000 0.899 245 L HN 0.170 nan 8.230 nan 0.000 0.434 246 N N 0.223 118.918 118.700 -0.009 0.000 2.188 246 N HA -0.126 4.614 4.740 -0.000 0.000 0.184 246 N C 1.928 177.440 175.510 0.004 0.000 1.018 246 N CA 1.095 54.150 53.050 0.007 0.000 0.858 246 N CB -0.153 38.341 38.487 0.010 0.000 0.989 246 N HN 0.359 nan 8.380 nan 0.000 0.426 247 R N 0.564 121.053 120.500 -0.018 0.000 2.075 247 R HA 0.089 4.429 4.340 -0.000 0.000 0.232 247 R C 2.281 178.584 176.300 0.004 0.000 1.126 247 R CA 0.756 56.851 56.100 -0.009 0.000 0.963 247 R CB -0.257 30.021 30.300 -0.036 0.000 0.858 247 R HN 0.218 nan 8.270 nan 0.000 0.435 248 I N 1.104 121.631 120.570 -0.071 0.000 2.226 248 I HA -0.285 3.885 4.170 -0.000 0.000 0.245 248 I C 2.132 178.295 176.117 0.077 0.000 1.100 248 I CA 1.434 62.694 61.300 -0.065 0.000 1.374 248 I CB -0.228 37.631 38.000 -0.234 0.000 1.057 248 I HN 0.130 nan 8.210 nan 0.000 0.413 249 K N 0.365 120.797 120.400 0.054 0.000 2.063 249 K HA -0.244 4.076 4.320 -0.000 0.000 0.208 249 K C 2.258 178.926 176.600 0.114 0.000 1.048 249 K CA 1.426 57.770 56.287 0.095 0.000 0.928 249 K CB -0.237 32.311 32.500 0.080 0.000 0.713 249 K HN 0.074 nan 8.250 nan 0.000 0.442 250 R N 0.581 121.137 120.500 0.093 0.000 2.081 250 R HA -0.183 4.157 4.340 -0.000 0.000 0.235 250 R C 1.859 178.217 176.300 0.097 0.000 1.131 250 R CA 1.661 57.807 56.100 0.076 0.000 0.960 250 R CB -0.786 29.549 30.300 0.058 0.000 0.856 250 R HN 0.390 nan 8.270 nan 0.000 0.436 251 W N -0.184 121.102 121.300 -0.024 0.000 2.358 251 W HA -0.209 4.451 4.660 -0.000 0.000 0.303 251 W C 1.998 178.524 176.519 0.012 0.000 1.208 251 W CA 1.682 59.011 57.345 -0.027 0.000 1.274 251 W CB -0.518 28.901 29.460 -0.068 0.000 1.138 251 W HN 0.155 nan 8.180 nan 0.000 0.515 252 C N -0.182 119.300 119.300 0.304 0.000 2.436 252 C HA -0.193 4.267 4.460 -0.000 0.000 0.277 252 C C 2.669 177.701 174.990 0.071 0.000 1.241 252 C CA 1.192 60.335 59.018 0.208 0.000 1.721 252 C CB -1.527 26.377 27.740 0.273 0.000 2.043 252 C HN 0.444 nan 8.230 nan 0.000 0.472 253 I N 0.532 121.158 120.570 0.092 0.000 2.700 253 I HA -0.154 4.016 4.170 -0.000 0.000 0.261 253 I C 2.000 178.096 176.117 -0.034 0.000 1.219 253 I CA 1.141 62.493 61.300 0.087 0.000 1.463 253 I CB -0.074 37.983 38.000 0.095 0.000 1.092 253 I HN 0.281 nan 8.210 nan 0.000 0.452 254 M N -0.266 119.259 119.600 -0.125 0.000 2.619 254 M HA -0.007 4.472 4.480 -0.000 0.000 0.251 254 M C 1.659 177.798 176.300 -0.270 0.000 1.106 254 M CA 0.809 55.990 55.300 -0.198 0.000 1.086 254 M CB -0.807 31.658 32.600 -0.226 0.000 1.465 254 M HN 0.155 nan 8.290 nan 0.000 0.506 255 R N 0.301 120.646 120.500 -0.259 0.000 2.236 255 R HA 0.039 4.379 4.340 -0.000 0.000 0.208 255 R C 0.861 176.868 176.300 -0.489 0.000 1.036 255 R CA 0.187 56.135 56.100 -0.253 0.000 1.001 255 R CB -0.574 29.705 30.300 -0.035 0.000 0.896 255 R HN 0.534 nan 8.270 nan 0.000 0.464 256 Q N 1.115 120.607 119.800 -0.512 0.000 2.295 256 Q HA 0.007 4.347 4.340 -0.000 0.000 0.259 256 Q C 0.220 175.859 176.000 -0.601 0.000 0.976 256 Q CA 0.000 55.277 55.803 -0.876 0.000 0.923 256 Q CB 0.913 29.110 28.738 -0.901 0.000 1.185 256 Q HN -0.025 nan 8.270 nan 0.000 0.410 257 Q N 2.716 122.158 119.800 -0.597 0.000 2.442 257 Q HA 0.099 4.439 4.340 -0.000 0.000 0.228 257 Q C 0.210 176.025 176.000 -0.307 0.000 0.902 257 Q CA 1.391 56.946 55.803 -0.414 0.000 0.933 257 Q CB 0.618 29.108 28.738 -0.412 0.000 1.071 257 Q HN 0.873 nan 8.270 nan 0.000 0.562 258 N N -1.182 117.315 118.700 -0.338 0.000 2.529 258 N HA 0.040 4.780 4.740 -0.000 0.000 0.328 258 N C 0.761 176.139 175.510 -0.219 0.000 0.606 258 N CA 0.454 53.387 53.050 -0.195 0.000 1.182 258 N CB -0.275 38.155 38.487 -0.096 0.000 1.946 258 N HN 0.092 nan 8.380 nan 0.000 1.584 259 G N -0.999 107.604 108.800 -0.329 0.000 2.641 259 G HA2 0.568 4.528 3.960 -0.000 0.000 0.239 259 G HA3 0.568 4.528 3.960 -0.000 0.000 0.239 259 G C -1.440 173.252 174.900 -0.348 0.000 1.402 259 G CA -0.311 44.646 45.100 -0.239 0.000 1.046 259 G HN 0.125 nan 8.290 nan 0.000 0.565 260 Y N -0.562 119.666 120.300 -0.120 0.000 2.446 260 Y HA 0.439 4.989 4.550 -0.000 0.000 0.345 260 Y C 0.630 176.534 175.900 0.008 0.000 0.984 260 Y CA -0.847 57.211 58.100 -0.071 0.000 1.058 260 Y CB 1.742 40.245 38.460 0.072 0.000 1.220 260 Y HN 0.711 nan 8.280 nan 0.000 0.455 261 H N -1.396 117.651 119.070 -0.039 0.000 2.595 261 H HA 0.621 5.177 4.556 -0.000 0.000 0.346 261 H C 0.426 175.418 175.328 -0.561 0.000 1.181 261 H CA -0.913 55.003 56.048 -0.219 0.000 1.242 261 H CB 2.005 31.649 29.762 -0.195 0.000 1.652 261 H HN 0.825 nan 8.280 nan 0.000 0.548 262 G N 0.282 108.507 108.800 -0.957 0.000 2.838 262 G HA2 0.128 4.088 3.960 -0.000 0.000 0.210 262 G HA3 0.128 4.088 3.960 -0.000 0.000 0.210 262 G C 0.366 174.841 174.900 -0.708 0.000 1.153 262 G CA -0.238 44.097 45.100 -1.276 0.000 0.778 262 G HN 0.552 nan 8.290 nan 0.000 0.539 263 R N -0.697 119.385 120.500 -0.697 0.000 2.643 263 R HA 0.312 4.652 4.340 -0.000 0.000 0.269 263 R C -3.127 172.649 176.300 -0.873 0.000 1.037 263 R CA -1.810 53.992 56.100 -0.496 0.000 0.894 263 R CB 1.971 32.140 30.300 -0.218 0.000 1.238 263 R HN -0.148 nan 8.270 nan 0.000 0.459 264 P HA -0.065 nan 4.420 nan 0.000 0.265 264 P C -0.536 176.604 177.300 -0.268 0.000 1.187 264 P CA 0.430 63.314 63.100 -0.360 0.000 0.766 264 P CB 0.335 31.959 31.700 -0.126 0.000 0.820 265 N N -0.701 117.928 118.700 -0.120 0.000 2.741 265 N HA -0.171 4.569 4.740 -0.000 0.000 0.251 265 N C -0.334 175.139 175.510 -0.062 0.000 1.112 265 N CA 1.292 54.314 53.050 -0.047 0.000 0.750 265 N CB -0.776 37.692 38.487 -0.032 0.000 1.119 265 N HN 0.487 nan 8.380 nan 0.000 0.561 266 K N 0.595 120.914 120.400 -0.134 0.000 2.203 266 K HA 0.471 4.790 4.320 -0.000 0.000 0.251 266 K C -2.189 174.456 176.600 0.076 0.000 0.944 266 K CA -1.486 54.763 56.287 -0.064 0.000 0.829 266 K CB 1.868 34.270 32.500 -0.163 0.000 1.125 266 K HN -0.080 nan 8.250 nan 0.000 0.430 267 P HA 0.000 nan 4.420 nan 0.000 0.271 267 P C 0.217 177.633 177.300 0.194 0.000 1.218 267 P CA -0.416 62.736 63.100 0.086 0.000 0.780 267 P CB 0.494 32.187 31.700 -0.012 0.000 0.901 268 V N -0.861 119.101 119.914 0.080 0.000 3.139 268 V HA 0.328 4.448 4.120 -0.000 0.000 0.307 268 V C 0.101 176.403 176.094 0.347 0.000 1.095 268 V CA 0.093 62.421 62.300 0.047 0.000 1.160 268 V CB 0.350 31.935 31.823 -0.397 0.000 1.003 268 V HN 0.626 nan 8.190 nan 0.000 0.489 269 D N 1.418 122.065 120.400 0.413 0.000 2.890 269 D HA 0.297 4.937 4.640 -0.000 0.000 0.233 269 D C 0.790 177.419 176.300 0.548 0.000 1.306 269 D CA -0.027 54.312 54.000 0.565 0.000 0.929 269 D CB 2.239 43.422 40.800 0.640 0.000 1.512 269 D HN 0.660 nan 8.370 nan 0.000 0.568 270 T N 1.906 116.813 114.554 0.589 0.000 2.649 270 T HA -0.237 4.113 4.350 -0.000 0.000 0.268 270 T C 2.027 176.859 174.700 0.220 0.000 1.036 270 T CA 2.383 64.757 62.100 0.456 0.000 1.157 270 T CB -0.616 68.447 68.868 0.326 0.000 0.861 270 T HN 0.787 nan 8.240 nan 0.000 0.445 271 C N 0.336 119.728 119.300 0.154 0.000 2.409 271 C HA -0.052 4.407 4.460 -0.000 0.000 0.288 271 C C 2.187 176.898 174.990 -0.465 0.000 1.395 271 C CA -0.172 58.686 59.018 -0.267 0.000 1.792 271 C CB -2.129 25.338 27.740 -0.456 0.000 1.847 271 C HN 0.513 nan 8.230 nan 0.000 0.534 272 Y N 1.725 122.106 120.300 0.135 0.000 2.561 272 Y HA 0.033 4.583 4.550 -0.000 0.000 0.291 272 Y C 2.812 178.663 175.900 -0.082 0.000 1.141 272 Y CA 1.318 59.507 58.100 0.147 0.000 1.303 272 Y CB -0.525 38.077 38.460 0.236 0.000 1.015 272 Y HN 0.333 nan 8.280 nan 0.000 0.547 273 S N -0.409 115.291 115.700 -0.000 0.000 2.442 273 S HA -0.157 4.313 4.470 -0.000 0.000 0.236 273 S C 1.633 176.022 174.600 -0.353 0.000 1.007 273 S CA 1.133 59.233 58.200 -0.166 0.000 0.965 273 S CB -0.348 62.857 63.200 0.009 0.000 0.773 273 S HN 0.548 nan 8.310 nan 0.000 0.504 274 F N 0.079 119.732 119.950 -0.495 0.000 2.315 274 F HA 0.207 4.734 4.527 -0.000 0.000 0.284 274 F C 1.596 177.045 175.800 -0.584 0.000 1.049 274 F CA 0.042 57.678 58.000 -0.607 0.000 1.323 274 F CB -0.704 37.872 39.000 -0.706 0.000 1.113 274 F HN 0.156 nan 8.300 nan 0.000 0.544 275 W N 0.519 121.419 121.300 -0.666 0.000 2.301 275 W HA -0.266 4.394 4.660 -0.000 0.000 0.325 275 W C 2.350 178.648 176.519 -0.369 0.000 1.250 275 W CA 1.665 58.610 57.345 -0.666 0.000 1.261 275 W CB -0.974 28.261 29.460 -0.374 0.000 1.157 275 W HN -0.144 nan 8.180 nan 0.000 0.473 276 V N 0.238 120.163 119.914 0.018 0.000 2.346 276 V HA -0.101 4.019 4.120 -0.000 0.000 0.244 276 V C 2.406 178.343 176.094 -0.260 0.000 1.037 276 V CA 1.951 64.241 62.300 -0.017 0.000 1.029 276 V CB -1.596 30.258 31.823 0.051 0.000 0.663 276 V HN 0.387 nan 8.190 nan 0.000 0.454 277 G N 0.118 108.569 108.800 -0.582 0.000 2.469 277 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.219 277 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.219 277 G C 1.736 176.212 174.900 -0.708 0.000 1.150 277 G CA 1.259 45.932 45.100 -0.712 0.000 0.763 277 G HN 0.610 nan 8.290 nan 0.000 0.561 278 A N -0.044 122.343 122.820 -0.722 0.000 1.969 278 A HA 0.039 4.359 4.320 -0.000 0.000 0.218 278 A C 2.527 179.996 177.584 -0.191 0.000 1.169 278 A CA 2.346 54.042 52.037 -0.568 0.000 0.635 278 A CB -0.718 17.667 19.000 -1.025 0.000 0.810 278 A HN 0.314 nan 8.150 nan 0.000 0.445 279 T N 0.455 114.966 114.554 -0.072 0.000 2.777 279 T HA -0.051 4.299 4.350 -0.000 0.000 0.266 279 T C 1.802 176.520 174.700 0.031 0.000 1.040 279 T CA 1.361 63.484 62.100 0.039 0.000 1.141 279 T CB -0.355 68.582 68.868 0.115 0.000 0.868 279 T HN 0.364 nan 8.240 nan 0.000 0.444 280 L N 0.657 121.902 121.223 0.038 0.000 2.083 280 L HA -0.110 4.230 4.340 -0.000 0.000 0.209 280 L C 2.623 179.572 176.870 0.132 0.000 1.083 280 L CA 1.178 56.103 54.840 0.141 0.000 0.752 280 L CB -0.400 41.835 42.059 0.293 0.000 0.899 280 L HN 0.173 nan 8.230 nan 0.000 0.433 281 K N 0.820 121.229 120.400 0.015 0.000 2.057 281 K HA -0.140 4.180 4.320 -0.000 0.000 0.206 281 K C 1.955 178.566 176.600 0.018 0.000 1.050 281 K CA 1.476 57.770 56.287 0.012 0.000 0.935 281 K CB -0.327 32.078 32.500 -0.159 0.000 0.715 281 K HN 0.163 nan 8.250 nan 0.000 0.439 282 L N 0.350 121.574 121.223 0.001 0.000 2.131 282 L HA -0.092 4.248 4.340 -0.000 0.000 0.210 282 L C 1.710 178.603 176.870 0.038 0.000 1.092 282 L CA 0.825 55.674 54.840 0.014 0.000 0.759 282 L CB -0.255 41.809 42.059 0.008 0.000 0.903 282 L HN 0.177 nan 8.230 nan 0.000 0.435 283 L N -0.474 120.783 121.223 0.056 0.000 2.627 283 L HA 0.033 4.373 4.340 -0.000 0.000 0.232 283 L C 0.615 177.538 176.870 0.088 0.000 1.150 283 L CA 0.036 54.920 54.840 0.073 0.000 0.917 283 L CB -0.287 41.821 42.059 0.082 0.000 1.104 283 L HN 0.192 nan 8.230 nan 0.000 0.445 284 K N 0.641 121.087 120.400 0.078 0.000 3.016 284 K HA -0.206 4.114 4.320 -0.000 0.000 0.262 284 K C 0.685 177.329 176.600 0.072 0.000 1.043 284 K CA 1.052 57.379 56.287 0.068 0.000 0.761 284 K CB -1.400 31.135 32.500 0.059 0.000 1.230 284 K HN 0.630 nan 8.250 nan 0.000 0.485 285 I N -4.611 116.031 120.570 0.119 0.000 4.160 285 I HA 0.165 4.335 4.170 -0.000 0.000 0.325 285 I C 1.224 177.421 176.117 0.133 0.000 1.455 285 I CA -0.652 60.736 61.300 0.148 0.000 1.142 285 I CB 0.090 38.281 38.000 0.318 0.000 1.262 285 I HN -0.016 nan 8.210 nan 0.000 0.483 286 F N 3.473 123.432 119.950 0.016 0.000 2.269 286 F HA -0.181 4.346 4.527 -0.000 0.000 0.301 286 F C 2.546 178.428 175.800 0.137 0.000 1.082 286 F CA 2.349 60.395 58.000 0.075 0.000 1.360 286 F CB -0.105 38.912 39.000 0.028 0.000 1.041 286 F HN 0.383 nan 8.300 nan 0.000 0.512 287 Q N -1.246 118.474 119.800 -0.133 0.000 2.297 287 Q HA -0.255 4.085 4.340 -0.000 0.000 0.208 287 Q C 1.196 176.938 176.000 -0.431 0.000 0.981 287 Q CA 1.970 57.575 55.803 -0.330 0.000 0.876 287 Q CB -1.116 27.328 28.738 -0.490 0.000 0.921 287 Q HN 0.619 nan 8.270 nan 0.000 0.446 288 Y N 2.202 122.453 120.300 -0.082 0.000 2.466 288 Y HA 0.117 4.667 4.550 -0.000 0.000 0.272 288 Y C 1.160 177.004 175.900 -0.092 0.000 1.169 288 Y CA -0.093 57.953 58.100 -0.090 0.000 1.285 288 Y CB 0.432 38.870 38.460 -0.038 0.000 1.078 288 Y HN 0.173 nan 8.280 nan 0.000 0.523 289 T N -1.734 112.813 114.554 -0.012 0.000 2.788 289 T HA 0.054 4.404 4.350 -0.000 0.000 0.280 289 T C 0.074 174.789 174.700 0.026 0.000 0.984 289 T CA -0.982 61.123 62.100 0.008 0.000 0.972 289 T CB 1.137 69.988 68.868 -0.027 0.000 1.039 289 T HN 0.113 nan 8.240 nan 0.000 0.530 290 N N 0.458 119.190 118.700 0.054 0.000 2.437 290 N HA 0.146 4.886 4.740 -0.000 0.000 0.243 290 N C 0.306 175.949 175.510 0.223 0.000 1.041 290 N CA -0.551 52.541 53.050 0.070 0.000 0.940 290 N CB -0.066 38.425 38.487 0.007 0.000 1.133 290 N HN 0.716 nan 8.380 nan 0.000 0.506 291 F N 1.531 121.428 119.950 -0.088 0.000 2.113 291 F HA -0.174 4.353 4.527 -0.000 0.000 0.297 291 F C 2.216 178.023 175.800 0.012 0.000 1.103 291 F CA 0.604 58.579 58.000 -0.042 0.000 1.248 291 F CB 0.215 39.184 39.000 -0.051 0.000 0.999 291 F HN 0.489 nan 8.300 nan 0.000 0.475 292 E N 1.386 121.712 120.200 0.210 0.000 2.049 292 E HA -0.232 4.118 4.350 -0.000 0.000 0.198 292 E C 1.836 178.498 176.600 0.103 0.000 1.007 292 E CA 1.783 58.259 56.400 0.127 0.000 0.809 292 E CB -0.223 29.526 29.700 0.082 0.000 0.749 292 E HN 0.213 nan 8.360 nan 0.000 0.450 293 K N -0.104 120.346 120.400 0.084 0.000 2.147 293 K HA -0.140 4.180 4.320 -0.000 0.000 0.205 293 K C 2.091 178.759 176.600 0.113 0.000 1.049 293 K CA 1.196 57.526 56.287 0.072 0.000 0.936 293 K CB -0.239 32.272 32.500 0.017 0.000 0.722 293 K HN 0.114 nan 8.250 nan 0.000 0.446 294 N N 1.630 120.404 118.700 0.123 0.000 2.080 294 N HA -0.179 4.560 4.740 -0.000 0.000 0.189 294 N C 1.740 177.359 175.510 0.181 0.000 1.036 294 N CA 1.413 54.576 53.050 0.189 0.000 0.846 294 N CB -0.063 38.576 38.487 0.254 0.000 1.015 294 N HN 0.065 nan 8.380 nan 0.000 0.423 295 R N 0.439 121.007 120.500 0.114 0.000 2.091 295 R HA -0.119 4.221 4.340 -0.000 0.000 0.238 295 R C 2.120 178.478 176.300 0.096 0.000 1.136 295 R CA 1.874 58.017 56.100 0.071 0.000 0.959 295 R CB -0.585 29.747 30.300 0.054 0.000 0.856 295 R HN 0.471 nan 8.270 nan 0.000 0.437 296 N N -1.063 117.704 118.700 0.112 0.000 2.069 296 N HA -0.274 4.466 4.740 -0.000 0.000 0.191 296 N C 1.872 177.449 175.510 0.112 0.000 1.031 296 N CA 1.391 54.504 53.050 0.105 0.000 0.852 296 N CB -0.226 38.321 38.487 0.099 0.000 1.018 296 N HN 0.325 nan 8.380 nan 0.000 0.423 297 Y N 1.594 121.940 120.300 0.077 0.000 2.114 297 Y HA -0.113 4.437 4.550 -0.000 0.000 0.284 297 Y C 2.072 178.048 175.900 0.128 0.000 1.143 297 Y CA 1.491 59.648 58.100 0.095 0.000 1.135 297 Y CB -0.376 38.137 38.460 0.089 0.000 0.980 297 Y HN 0.100 nan 8.280 nan 0.000 0.499 298 I N -0.041 120.563 120.570 0.057 0.000 2.118 298 I HA -0.387 3.783 4.170 -0.000 0.000 0.241 298 I C 2.373 178.537 176.117 0.079 0.000 1.070 298 I CA 1.734 63.026 61.300 -0.013 0.000 1.327 298 I CB -0.642 37.326 38.000 -0.055 0.000 1.034 298 I HN 0.276 nan 8.210 nan 0.000 0.405 299 L N 0.568 121.872 121.223 0.135 0.000 2.131 299 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 299 L C 2.716 179.648 176.870 0.103 0.000 1.092 299 L CA 1.557 56.540 54.840 0.240 0.000 0.759 299 L CB -0.682 41.486 42.059 0.183 0.000 0.903 299 L HN 0.407 nan 8.230 nan 0.000 0.435 300 S N -1.436 114.248 115.700 -0.027 0.000 2.507 300 S HA -0.126 4.344 4.470 -0.000 0.000 0.235 300 S C 1.687 176.233 174.600 -0.089 0.000 0.988 300 S CA 1.155 59.310 58.200 -0.074 0.000 0.944 300 S CB -0.624 62.506 63.200 -0.116 0.000 0.762 300 S HN 0.572 nan 8.310 nan 0.000 0.526 301 T N -1.857 112.654 114.554 -0.072 0.000 3.092 301 T HA 0.250 4.600 4.350 -0.000 0.000 0.258 301 T C 0.323 175.043 174.700 0.033 0.000 1.031 301 T CA -0.526 61.572 62.100 -0.004 0.000 0.925 301 T CB -0.228 68.643 68.868 0.004 0.000 1.036 301 T HN 0.480 nan 8.240 nan 0.000 0.544 302 Q N 1.720 121.495 119.800 -0.042 0.000 2.304 302 Q HA 0.093 4.433 4.340 -0.000 0.000 0.260 302 Q C -0.821 175.011 176.000 -0.280 0.000 0.965 302 Q CA -0.301 55.245 55.803 -0.429 0.000 0.898 302 Q CB 0.550 29.072 28.738 -0.360 0.000 1.196 302 Q HN 0.294 nan 8.270 nan 0.000 0.402 303 D N 4.069 124.270 120.400 -0.332 0.000 2.411 303 D HA 0.074 4.714 4.640 -0.000 0.000 0.225 303 D C 0.409 176.572 176.300 -0.227 0.000 1.156 303 D CA -0.029 53.850 54.000 -0.201 0.000 0.874 303 D CB 0.591 41.298 40.800 -0.155 0.000 1.034 303 D HN 0.613 nan 8.370 nan 0.000 0.502 304 R N 2.540 122.935 120.500 -0.175 0.000 2.241 304 R HA -0.072 4.268 4.340 -0.000 0.000 0.224 304 R C 1.647 177.852 176.300 -0.158 0.000 1.101 304 R CA 0.268 56.261 56.100 -0.178 0.000 0.995 304 R CB 0.347 30.575 30.300 -0.120 0.000 0.870 304 R HN 0.453 nan 8.270 nan 0.000 0.463 305 L N 0.371 121.521 121.223 -0.121 0.000 2.116 305 L HA -0.007 4.333 4.340 -0.000 0.000 0.200 305 L C 2.108 178.923 176.870 -0.092 0.000 1.084 305 L CA 1.475 56.258 54.840 -0.094 0.000 0.766 305 L CB -0.546 41.475 42.059 -0.064 0.000 0.930 305 L HN 0.096 nan 8.230 nan 0.000 0.453 306 V N -0.838 119.034 119.914 -0.069 0.000 3.354 306 V HA 0.412 4.532 4.120 -0.000 0.000 0.258 306 V C 0.875 176.991 176.094 0.036 0.000 1.159 306 V CA 0.726 63.021 62.300 -0.009 0.000 1.125 306 V CB -0.307 31.541 31.823 0.042 0.000 0.774 306 V HN 0.669 nan 8.190 nan 0.000 0.464 307 G N -0.883 107.839 108.800 -0.129 0.000 2.712 307 G HA2 0.408 4.368 3.960 -0.000 0.000 0.683 307 G HA3 0.408 4.368 3.960 -0.000 0.000 0.683 307 G C 0.551 175.141 174.900 -0.516 0.000 1.320 307 G CA -0.307 44.624 45.100 -0.281 0.000 0.847 307 G HN 2.411 nan 8.290 nan 0.000 0.553 308 G N -1.879 106.560 108.800 -0.603 0.000 2.828 308 G HA2 0.363 4.323 3.960 -0.000 0.000 0.463 308 G HA3 0.363 4.323 3.960 -0.000 0.000 0.463 308 G C -0.391 174.029 174.900 -0.800 0.000 1.394 308 G CA 0.326 44.734 45.100 -1.154 0.000 0.862 308 G HN 1.823 nan 8.290 nan 0.000 0.540 309 F N -0.072 119.627 119.950 -0.418 0.000 2.611 309 F HA 0.843 5.370 4.527 -0.000 0.000 0.324 309 F C 0.832 176.576 175.800 -0.093 0.000 1.061 309 F CA 0.040 57.931 58.000 -0.181 0.000 0.954 309 F CB 2.064 40.983 39.000 -0.136 0.000 1.301 309 F HN 1.015 nan 8.300 nan 0.000 0.482 310 A N 0.924 123.812 122.820 0.114 0.000 2.344 310 A HA 0.553 4.873 4.320 -0.000 0.000 0.307 310 A C 0.741 178.201 177.584 -0.207 0.000 1.151 310 A CA -0.571 51.432 52.037 -0.057 0.000 0.842 310 A CB 1.363 20.349 19.000 -0.023 0.000 1.350 310 A HN 0.886 nan 8.150 nan 0.000 0.459 311 K N -1.032 118.981 120.400 -0.645 0.000 2.103 311 K HA -0.001 4.319 4.320 -0.000 0.000 0.204 311 K C -0.422 176.136 176.600 -0.070 0.000 1.052 311 K CA 0.674 56.612 56.287 -0.582 0.000 0.945 311 K CB 0.019 31.937 32.500 -0.970 0.000 0.722 311 K HN 0.562 nan 8.250 nan 0.000 0.443 312 W N 1.719 123.048 121.300 0.048 0.000 2.882 312 W HA 0.415 5.075 4.660 -0.000 0.000 0.345 312 W C -2.604 173.931 176.519 0.026 0.000 1.125 312 W CA -3.184 54.232 57.345 0.118 0.000 1.167 312 W CB 0.340 29.867 29.460 0.112 0.000 1.431 312 W HN -0.177 nan 8.180 nan 0.000 0.543 313 P HA 0.132 nan 4.420 nan 0.000 0.272 313 P C 0.194 177.569 177.300 0.126 0.000 1.223 313 P CA 1.061 64.222 63.100 0.101 0.000 0.784 313 P CB 0.249 31.977 31.700 0.046 0.000 0.923 314 D N -1.632 118.817 120.400 0.082 0.000 2.723 314 D HA -0.140 4.500 4.640 -0.000 0.000 0.236 314 D C 0.087 176.449 176.300 0.104 0.000 1.138 314 D CA 1.235 55.285 54.000 0.084 0.000 0.676 314 D CB -1.963 38.877 40.800 0.066 0.000 1.069 314 D HN 0.555 nan 8.370 nan 0.000 0.430 315 S N -2.125 113.644 115.700 0.116 0.000 2.599 315 S HA 0.619 5.089 4.470 -0.000 0.000 0.287 315 S C -0.506 174.181 174.600 0.146 0.000 1.105 315 S CA -0.443 57.808 58.200 0.086 0.000 0.899 315 S CB 1.265 64.536 63.200 0.118 0.000 1.100 315 S HN 0.542 nan 8.310 nan 0.000 0.482 316 H N 2.584 121.683 119.070 0.048 0.000 2.764 316 H HA 0.283 4.839 4.556 -0.000 0.000 0.341 316 H C -1.931 173.430 175.328 0.055 0.000 1.072 316 H CA -1.573 54.511 56.048 0.060 0.000 1.444 316 H CB 0.623 30.438 29.762 0.088 0.000 1.458 316 H HN 0.439 nan 8.280 nan 0.000 0.572 317 P HA 0.049 nan 4.420 nan 0.000 0.274 317 P C -1.027 176.436 177.300 0.272 0.000 1.237 317 P CA -0.336 62.831 63.100 0.112 0.000 0.793 317 P CB 1.419 33.079 31.700 -0.066 0.000 0.977 318 D N -1.088 119.483 120.400 0.286 0.000 2.596 318 D HA 0.459 5.099 4.640 -0.000 0.000 0.262 318 D C 0.831 177.383 176.300 0.421 0.000 1.210 318 D CA -0.990 53.267 54.000 0.428 0.000 0.873 318 D CB 0.373 41.406 40.800 0.388 0.000 1.408 318 D HN 0.166 nan 8.370 nan 0.000 0.441 319 A N 0.202 123.306 122.820 0.472 0.000 1.940 319 A HA -0.115 4.205 4.320 -0.000 0.000 0.219 319 A C 1.966 179.607 177.584 0.096 0.000 1.176 319 A CA 1.497 53.822 52.037 0.481 0.000 0.631 319 A CB -0.965 18.334 19.000 0.499 0.000 0.814 319 A HN 0.633 nan 8.150 nan 0.000 0.446 320 L N -1.441 119.706 121.223 -0.127 0.000 1.994 320 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 320 L C 2.466 179.089 176.870 -0.413 0.000 1.071 320 L CA 2.196 56.609 54.840 -0.712 0.000 0.745 320 L CB -0.376 41.485 42.059 -0.330 0.000 0.892 320 L HN 0.540 nan 8.230 nan 0.000 0.431 321 H N -0.633 118.417 119.070 -0.033 0.000 2.462 321 H HA 0.023 4.579 4.556 -0.000 0.000 0.292 321 H C 2.174 177.481 175.328 -0.034 0.000 1.049 321 H CA 1.069 57.116 56.048 -0.002 0.000 1.334 321 H CB -0.153 29.636 29.762 0.045 0.000 1.404 321 H HN 0.520 nan 8.280 nan 0.000 0.544 322 A N 0.411 123.282 122.820 0.084 0.000 1.877 322 A HA -0.237 4.083 4.320 -0.000 0.000 0.216 322 A C 2.095 179.730 177.584 0.084 0.000 1.186 322 A CA 1.651 53.727 52.037 0.066 0.000 0.620 322 A CB -0.962 17.903 19.000 -0.224 0.000 0.822 322 A HN 0.524 nan 8.150 nan 0.000 0.443 323 Y N -0.587 119.665 120.300 -0.080 0.000 2.133 323 Y HA -0.171 4.379 4.550 -0.000 0.000 0.287 323 Y C 1.974 177.521 175.900 -0.588 0.000 1.134 323 Y CA 1.743 59.643 58.100 -0.334 0.000 1.133 323 Y CB -0.627 37.407 38.460 -0.709 0.000 0.987 323 Y HN 0.281 nan 8.280 nan 0.000 0.502 324 F N -0.271 119.294 119.950 -0.641 0.000 2.293 324 F HA -0.031 4.496 4.527 -0.000 0.000 0.300 324 F C 2.548 177.961 175.800 -0.645 0.000 1.086 324 F CA 0.819 58.325 58.000 -0.822 0.000 1.375 324 F CB -0.662 37.871 39.000 -0.779 0.000 1.045 324 F HN 0.160 nan 8.300 nan 0.000 0.516 325 G N 0.343 108.884 108.800 -0.431 0.000 2.408 325 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.217 325 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.217 325 G C 1.683 176.121 174.900 -0.770 0.000 1.150 325 G CA 0.689 45.388 45.100 -0.668 0.000 0.776 325 G HN 0.325 nan 8.290 nan 0.000 0.542 326 I N 0.280 120.446 120.570 -0.673 0.000 2.252 326 I HA -0.167 4.003 4.170 -0.000 0.000 0.245 326 I C 2.706 178.531 176.117 -0.486 0.000 1.102 326 I CA 0.546 61.547 61.300 -0.499 0.000 1.385 326 I CB -0.185 37.695 38.000 -0.199 0.000 1.064 326 I HN 0.176 nan 8.210 nan 0.000 0.414 327 C N 0.831 119.762 119.300 -0.616 0.000 2.422 327 C HA -0.093 4.367 4.460 -0.000 0.000 0.279 327 C C 2.916 177.730 174.990 -0.294 0.000 1.305 327 C CA 0.978 59.680 59.018 -0.527 0.000 1.757 327 C CB -1.729 25.483 27.740 -0.880 0.000 1.962 327 C HN 0.675 nan 8.230 nan 0.000 0.499 328 G N 0.293 108.909 108.800 -0.307 0.000 2.421 328 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.216 328 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.216 328 G C 1.401 176.137 174.900 -0.273 0.000 1.171 328 G CA 0.587 45.535 45.100 -0.252 0.000 0.775 328 G HN 0.342 nan 8.290 nan 0.000 0.543 329 L N 1.276 122.299 121.223 -0.334 0.000 2.046 329 L HA -0.029 4.311 4.340 -0.000 0.000 0.208 329 L C 3.087 179.792 176.870 -0.275 0.000 1.077 329 L CA 1.909 56.552 54.840 -0.328 0.000 0.747 329 L CB -1.076 40.690 42.059 -0.487 0.000 0.896 329 L HN 0.340 nan 8.230 nan 0.000 0.432 330 S N -0.820 114.718 115.700 -0.270 0.000 2.370 330 S HA -0.181 4.289 4.470 -0.000 0.000 0.226 330 S C 2.023 176.532 174.600 -0.152 0.000 1.033 330 S CA 0.946 59.032 58.200 -0.191 0.000 1.011 330 S CB -0.174 62.919 63.200 -0.178 0.000 0.852 330 S HN 0.253 nan 8.310 nan 0.000 0.457 331 L N 1.149 122.246 121.223 -0.210 0.000 2.187 331 L HA 0.088 4.428 4.340 -0.000 0.000 0.213 331 L C 2.164 178.988 176.870 -0.077 0.000 1.100 331 L CA 1.716 56.399 54.840 -0.261 0.000 0.765 331 L CB -0.939 40.718 42.059 -0.670 0.000 0.904 331 L HN 0.504 nan 8.230 nan 0.000 0.437 332 M N -1.448 118.067 119.600 -0.141 0.000 2.428 332 M HA 0.099 4.579 4.480 -0.000 0.000 0.239 332 M C -0.400 175.910 176.300 0.018 0.000 1.121 332 M CA -0.010 55.149 55.300 -0.235 0.000 1.019 332 M CB 0.179 32.406 32.600 -0.622 0.000 1.485 332 M HN 0.068 nan 8.290 nan 0.000 0.484 333 E N 1.952 122.144 120.200 -0.014 0.000 3.783 333 E HA -0.168 4.181 4.350 -0.000 0.000 0.154 333 E C -0.368 176.225 176.600 -0.012 0.000 1.748 333 E CA 0.187 56.590 56.400 0.005 0.000 0.854 333 E CB -0.692 29.048 29.700 0.066 0.000 1.075 333 E HN 0.282 nan 8.360 nan 0.000 0.360 334 E N 1.609 121.760 120.200 -0.081 0.000 2.197 334 E HA 0.292 4.642 4.350 -0.000 0.000 0.281 334 E C -0.567 175.999 176.600 -0.057 0.000 0.995 334 E CA -0.476 55.861 56.400 -0.104 0.000 0.808 334 E CB 0.955 30.492 29.700 -0.271 0.000 1.093 334 E HN 0.293 nan 8.360 nan 0.000 0.394 335 S N 2.836 118.538 115.700 0.004 0.000 2.546 335 S HA 0.402 4.871 4.470 -0.000 0.000 0.290 335 S C 1.151 175.802 174.600 0.084 0.000 1.290 335 S CA 0.039 58.266 58.200 0.045 0.000 1.069 335 S CB 0.655 63.893 63.200 0.064 0.000 0.846 335 S HN 1.139 nan 8.310 nan 0.000 0.495 336 G N 2.108 110.961 108.800 0.088 0.000 2.176 336 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.232 336 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.232 336 G C -0.111 174.872 174.900 0.139 0.000 0.986 336 G CA -0.073 45.113 45.100 0.144 0.000 0.643 336 G HN 0.795 nan 8.290 nan 0.000 0.522 337 I N 1.245 121.844 120.570 0.049 0.000 2.436 337 I HA 0.349 4.519 4.170 -0.000 0.000 0.289 337 I C 0.929 177.042 176.117 -0.008 0.000 1.010 337 I CA -1.171 60.134 61.300 0.009 0.000 1.098 337 I CB 1.638 39.568 38.000 -0.117 0.000 1.266 337 I HN 0.090 nan 8.210 nan 0.000 0.434 338 C N 4.203 123.506 119.300 0.005 0.000 2.727 338 C HA 0.052 4.512 4.460 -0.000 0.000 0.401 338 C C 0.941 175.923 174.990 -0.013 0.000 1.294 338 C CA -0.396 58.624 59.018 0.004 0.000 2.134 338 C CB -0.092 27.656 27.740 0.013 0.000 2.724 338 C HN 0.713 nan 8.230 nan 0.000 0.677 339 K N 1.463 121.864 120.400 0.002 0.000 2.379 339 K HA 0.355 4.675 4.320 -0.000 0.000 0.284 339 K C -0.394 176.218 176.600 0.020 0.000 1.044 339 K CA -0.190 56.098 56.287 0.002 0.000 0.974 339 K CB 0.499 33.007 32.500 0.014 0.000 0.962 339 K HN 0.576 nan 8.250 nan 0.000 0.474 340 V N 5.343 125.265 119.914 0.013 0.000 2.607 340 V HA 0.089 4.209 4.120 -0.000 0.000 0.289 340 V C -0.456 175.726 176.094 0.147 0.000 1.053 340 V CA -0.579 61.762 62.300 0.068 0.000 0.996 340 V CB 1.124 32.965 31.823 0.031 0.000 0.995 340 V HN 0.887 nan 8.190 nan 0.000 0.476 341 H N 9.082 128.216 119.070 0.107 0.000 3.004 341 H HA 0.347 4.903 4.556 -0.000 0.000 0.267 341 H C -1.761 173.691 175.328 0.206 0.000 1.165 341 H CA -2.034 54.090 56.048 0.126 0.000 1.450 341 H CB 1.508 31.344 29.762 0.123 0.000 1.488 341 H HN 0.548 nan 8.280 nan 0.000 0.478 342 P HA -0.156 nan 4.420 nan 0.000 0.220 342 P C 0.781 178.385 177.300 0.506 0.000 1.144 342 P CA 1.516 64.817 63.100 0.335 0.000 0.800 342 P CB 0.335 32.077 31.700 0.070 0.000 0.772 343 A N -1.446 121.719 122.820 0.575 0.000 2.085 343 A HA 0.144 4.464 4.320 -0.000 0.000 0.208 343 A C 1.941 179.774 177.584 0.416 0.000 1.191 343 A CA 0.190 52.487 52.037 0.434 0.000 0.799 343 A CB -0.788 18.377 19.000 0.275 0.000 0.877 343 A HN 0.134 nan 8.150 nan 0.000 0.473 344 L N -0.641 120.727 121.223 0.242 0.000 2.529 344 L HA 0.247 4.586 4.340 -0.000 0.000 0.223 344 L C 0.544 177.626 176.870 0.354 0.000 1.113 344 L CA 0.901 55.754 54.840 0.021 0.000 0.861 344 L CB -0.627 41.133 42.059 -0.499 0.000 1.012 344 L HN 0.542 nan 8.230 nan 0.000 0.461 345 N N -0.169 118.845 118.700 0.524 0.000 2.727 345 N HA -0.175 4.565 4.740 -0.000 0.000 0.251 345 N C -0.895 174.886 175.510 0.452 0.000 1.040 345 N CA 0.966 54.352 53.050 0.560 0.000 0.712 345 N CB -1.094 37.855 38.487 0.770 0.000 0.912 345 N HN 0.240 nan 8.380 nan 0.000 0.545 346 V N -2.765 117.329 119.914 0.300 0.000 3.178 346 V HA 0.810 4.930 4.120 -0.000 0.000 0.302 346 V C 0.537 176.724 176.094 0.154 0.000 1.262 346 V CA -0.505 61.918 62.300 0.205 0.000 1.030 346 V CB 1.426 33.341 31.823 0.154 0.000 1.074 346 V HN 0.529 nan 8.190 nan 0.000 0.438 347 S N 0.713 116.465 115.700 0.087 0.000 2.566 347 S HA 0.124 4.594 4.470 -0.000 0.000 0.280 347 S C 1.423 176.087 174.600 0.106 0.000 1.343 347 S CA 0.466 58.709 58.200 0.071 0.000 1.036 347 S CB 0.816 64.032 63.200 0.028 0.000 0.866 347 S HN 1.871 nan 8.310 nan 0.000 0.526 348 T N -0.101 114.519 114.554 0.110 0.000 2.788 348 T HA -0.206 4.144 4.350 -0.000 0.000 0.268 348 T C 1.802 176.554 174.700 0.088 0.000 1.044 348 T CA 1.116 63.294 62.100 0.129 0.000 1.139 348 T CB -0.496 68.427 68.868 0.091 0.000 0.867 348 T HN 0.726 nan 8.240 nan 0.000 0.454 349 R N 1.220 121.753 120.500 0.055 0.000 2.103 349 R HA -0.147 4.193 4.340 -0.000 0.000 0.242 349 R C 2.231 178.547 176.300 0.027 0.000 1.142 349 R CA 2.065 58.186 56.100 0.035 0.000 0.960 349 R CB -1.007 29.307 30.300 0.024 0.000 0.858 349 R HN 0.451 nan 8.270 nan 0.000 0.439 350 T N 0.452 115.024 114.554 0.031 0.000 2.777 350 T HA -0.107 4.243 4.350 -0.000 0.000 0.266 350 T C 1.887 176.594 174.700 0.011 0.000 1.040 350 T CA 1.625 63.734 62.100 0.016 0.000 1.141 350 T CB -0.205 68.675 68.868 0.019 0.000 0.868 350 T HN 0.537 nan 8.240 nan 0.000 0.444 351 S N 1.844 117.572 115.700 0.048 0.000 2.399 351 S HA -0.126 4.344 4.470 -0.000 0.000 0.231 351 S C 1.841 176.457 174.600 0.026 0.000 1.022 351 S CA 0.683 58.915 58.200 0.054 0.000 0.983 351 S CB -0.338 62.965 63.200 0.171 0.000 0.803 351 S HN 0.387 nan 8.310 nan 0.000 0.480 352 E N 1.946 122.166 120.200 0.033 0.000 2.023 352 E HA -0.187 4.163 4.350 -0.000 0.000 0.196 352 E C 2.242 178.812 176.600 -0.050 0.000 1.003 352 E CA 1.375 57.779 56.400 0.006 0.000 0.809 352 E CB -0.484 29.224 29.700 0.014 0.000 0.755 352 E HN 0.645 nan 8.360 nan 0.000 0.449 353 R N 0.643 121.112 120.500 -0.051 0.000 2.096 353 R HA -0.189 4.151 4.340 -0.000 0.000 0.240 353 R C 2.538 178.737 176.300 -0.168 0.000 1.139 353 R CA 1.448 57.499 56.100 -0.080 0.000 0.952 353 R CB -0.509 29.762 30.300 -0.049 0.000 0.854 353 R HN 0.122 nan 8.270 nan 0.000 0.436 354 L N 1.019 122.121 121.223 -0.201 0.000 2.081 354 L HA -0.235 4.105 4.340 -0.000 0.000 0.212 354 L C 2.759 179.226 176.870 -0.671 0.000 1.080 354 L CA 2.663 57.254 54.840 -0.415 0.000 0.754 354 L CB -0.909 40.953 42.059 -0.330 0.000 0.893 354 L HN 0.293 nan 8.230 nan 0.000 0.433 355 R N -0.396 119.877 120.500 -0.378 0.000 2.070 355 R HA -0.164 4.176 4.340 -0.000 0.000 0.233 355 R C 1.992 178.148 176.300 -0.239 0.000 1.137 355 R CA 1.879 57.812 56.100 -0.278 0.000 0.945 355 R CB -1.873 28.369 30.300 -0.098 0.000 0.845 355 R HN 0.580 nan 8.270 nan 0.000 0.430 356 D N 0.666 120.957 120.400 -0.182 0.000 2.106 356 D HA -0.161 4.479 4.640 -0.000 0.000 0.191 356 D C 2.051 178.220 176.300 -0.219 0.000 0.997 356 D CA 1.662 55.576 54.000 -0.143 0.000 0.834 356 D CB -0.551 40.192 40.800 -0.095 0.000 0.956 356 D HN 0.244 nan 8.370 nan 0.000 0.448 357 L N 0.987 122.031 121.223 -0.300 0.000 2.021 357 L HA -0.256 4.084 4.340 -0.000 0.000 0.215 357 L C 2.240 178.598 176.870 -0.854 0.000 1.074 357 L CA 1.946 56.518 54.840 -0.446 0.000 0.760 357 L CB -0.739 41.077 42.059 -0.405 0.000 0.889 357 L HN 0.214 nan 8.230 nan 0.000 0.433 358 H N -1.726 116.820 119.070 -0.874 0.000 2.290 358 H HA -0.218 4.338 4.556 -0.000 0.000 0.298 358 H C 2.234 177.277 175.328 -0.475 0.000 1.087 358 H CA 1.250 56.769 56.048 -0.883 0.000 1.291 358 H CB -0.077 29.388 29.762 -0.495 0.000 1.369 358 H HN 0.592 nan 8.280 nan 0.000 0.492 359 Q N 0.934 120.645 119.800 -0.148 0.000 2.152 359 Q HA -0.182 4.158 4.340 -0.000 0.000 0.206 359 Q C 2.344 178.322 176.000 -0.036 0.000 0.985 359 Q CA 1.911 57.677 55.803 -0.061 0.000 0.863 359 Q CB -0.987 27.724 28.738 -0.045 0.000 0.904 359 Q HN 0.450 nan 8.270 nan 0.000 0.422 360 S N -0.470 115.176 115.700 -0.089 0.000 2.399 360 S HA -0.116 4.354 4.470 -0.000 0.000 0.231 360 S C 1.543 176.261 174.600 0.197 0.000 1.022 360 S CA 1.055 59.271 58.200 0.026 0.000 0.983 360 S CB -0.336 62.876 63.200 0.021 0.000 0.803 360 S HN 0.884 nan 8.310 nan 0.000 0.480 361 W N 1.704 123.026 121.300 0.037 0.000 2.584 361 W HA 0.219 4.879 4.660 -0.000 0.000 0.264 361 W C 1.953 178.477 176.519 0.008 0.000 1.264 361 W CA 0.336 57.692 57.345 0.019 0.000 1.306 361 W CB -0.896 28.569 29.460 0.009 0.000 1.110 361 W HN 0.273 nan 8.180 nan 0.000 0.606 362 K N 1.297 121.815 120.400 0.197 0.000 2.968 362 K HA 0.295 4.615 4.320 -0.000 0.000 0.249 362 K C 0.518 177.170 176.600 0.086 0.000 1.062 362 K CA 0.851 57.208 56.287 0.117 0.000 1.215 362 K CB -1.387 31.157 32.500 0.073 0.000 1.097 362 K HN 0.220 nan 8.250 nan 0.000 0.462 363 T N 0.000 114.612 114.554 0.097 0.000 3.816 363 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 363 T CA 0.000 62.141 62.100 0.068 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