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 2vn7_1_A DATA FIRST_RESID 1 DATA SEQUENCE SVDDFISTET PIALNNLLcN VGPDGcRAFG TSAGAVIASP STIDPDYYYM DATA SEQUENCE WTRDSALVFK NLIDRFTETY DAGLQRRIEQ YITAQVTLQG LSNPSGSLAD DATA SEQUENCE GSGLGEPKFE LTLKPFTGNW GRPQRDGPAL RAIALIGYSK WLINNNYQST DATA SEQUENCE VSNVIWPIVR NDLNYVAQYW NQTGFDLWEE VNGSSFFTVA NQHRALVEGA DATA SEQUENCE TLAATLGQSG SAYSSVAPQV LcFLQRFWVS SGGYVDSNIN TNEGRTGKDV DATA SEQUENCE NSVLTSIHTF DPNLGcDAGT FQPcSDKALS NLKVVVDSFR SIYGVNKGIP DATA SEQUENCE AGAAVAIGRY AEDVYYNGNP WYLATFAAAE QLYDAIYVWK KTGSITVTAT DATA SEQUENCE SLAFFQELVP GVTAGTYSSS SSTFTNIINA VSTYADGFLS EAAKYVPADG DATA SEQUENCE SLAEQFDRNS GTPLSALHLT WSYASFLTAT ARRAGIVPPS WANSSASTIP DATA SEQUENCE STcSGASVVG SYSRPTATSF PPSQTPKPGV PSGTPYTPLP cATPTSVAVT DATA SEQUENCE FHELVSTQFG QTVKVAGNAA ALGNWSTSAA VALDAVNYAD NHPLWIGTVN DATA SEQUENCE LEAGDVVEYK YINVGQDGSV TWESDPNHTY TVPAVAcVTQ VVKEDTWQS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.675 174.600 0.125 0.000 1.055 1 S CA 0.000 58.245 58.200 0.074 0.000 1.107 1 S CB 0.000 63.242 63.200 0.070 0.000 0.593 2 V N 1.376 121.372 119.914 0.136 0.000 2.427 2 V HA -0.074 4.046 4.120 0.000 0.000 0.248 2 V C 2.211 178.448 176.094 0.237 0.000 1.051 2 V CA 2.157 64.586 62.300 0.215 0.000 1.048 2 V CB -0.963 30.977 31.823 0.195 0.000 0.666 2 V HN 0.913 nan 8.190 nan 0.000 0.456 3 D N 0.292 120.782 120.400 0.150 0.000 2.123 3 D HA -0.163 4.477 4.640 0.000 0.000 0.196 3 D C 1.938 178.305 176.300 0.111 0.000 0.992 3 D CA 1.451 55.517 54.000 0.110 0.000 0.833 3 D CB -0.354 40.492 40.800 0.075 0.000 0.954 3 D HN 0.396 nan 8.370 nan 0.000 0.455 4 D N -0.158 120.314 120.400 0.120 0.000 2.092 4 D HA -0.168 4.472 4.640 0.000 0.000 0.193 4 D C 1.851 178.241 176.300 0.150 0.000 0.994 4 D CA 0.514 54.581 54.000 0.111 0.000 0.828 4 D CB -0.569 40.293 40.800 0.104 0.000 0.963 4 D HN 0.187 nan 8.370 nan 0.000 0.450 5 F N 1.482 121.472 119.950 0.067 0.000 2.069 5 F HA -0.174 4.353 4.527 0.000 0.000 0.298 5 F C 2.179 178.064 175.800 0.142 0.000 1.113 5 F CA 1.229 59.282 58.000 0.087 0.000 1.214 5 F CB -0.513 38.556 39.000 0.114 0.000 0.978 5 F HN -0.101 nan 8.300 nan 0.000 0.474 6 I N -0.276 120.300 120.570 0.010 0.000 2.163 6 I HA -0.349 3.822 4.170 0.000 0.000 0.243 6 I C 2.467 178.574 176.117 -0.016 0.000 1.085 6 I CA 1.478 62.771 61.300 -0.012 0.000 1.347 6 I CB -0.895 37.127 38.000 0.037 0.000 1.044 6 I HN 0.117 nan 8.210 nan 0.000 0.408 7 S N 0.440 116.140 115.700 -0.000 0.000 2.359 7 S HA -0.216 4.254 4.470 0.000 0.000 0.222 7 S C 2.057 176.638 174.600 -0.032 0.000 1.038 7 S CA 2.279 60.477 58.200 -0.003 0.000 1.051 7 S CB -0.682 62.527 63.200 0.014 0.000 0.944 7 S HN 0.476 nan 8.310 nan 0.000 0.433 8 T N 1.260 115.783 114.554 -0.051 0.000 2.812 8 T HA -0.040 4.310 4.350 0.000 0.000 0.264 8 T C 1.901 176.512 174.700 -0.148 0.000 1.042 8 T CA 1.469 63.528 62.100 -0.069 0.000 1.140 8 T CB -0.278 68.572 68.868 -0.031 0.000 0.870 8 T HN 0.398 nan 8.240 nan 0.000 0.445 9 E N 0.911 120.929 120.200 -0.304 0.000 2.152 9 E HA -0.065 4.285 4.350 0.000 0.000 0.192 9 E C 2.197 178.565 176.600 -0.388 0.000 0.983 9 E CA 1.107 57.189 56.400 -0.529 0.000 0.818 9 E CB -0.518 28.446 29.700 -1.226 0.000 0.758 9 E HN 0.349 nan 8.360 nan 0.000 0.467 10 T N 1.834 116.335 114.554 -0.090 0.000 2.607 10 T HA -0.144 4.206 4.350 0.000 0.000 0.267 10 T C -0.996 173.712 174.700 0.015 0.000 1.049 10 T CA 2.123 64.298 62.100 0.125 0.000 1.162 10 T CB -1.319 67.619 68.868 0.116 0.000 0.863 10 T HN 0.325 nan 8.240 nan 0.000 0.424 11 P HA 0.106 nan 4.420 nan 0.000 0.221 11 P C 1.455 178.729 177.300 -0.044 0.000 1.150 11 P CA 0.864 63.959 63.100 -0.008 0.000 0.800 11 P CB -0.253 31.446 31.700 -0.001 0.000 0.787 12 I N 0.005 120.519 120.570 -0.093 0.000 2.286 12 I HA -0.165 4.006 4.170 0.000 0.000 0.245 12 I C 2.581 178.586 176.117 -0.187 0.000 1.104 12 I CA 1.256 62.483 61.300 -0.122 0.000 1.397 12 I CB -0.784 37.148 38.000 -0.113 0.000 1.072 12 I HN -0.098 nan 8.210 nan 0.000 0.417 13 A N 0.800 123.518 122.820 -0.170 0.000 1.877 13 A HA -0.207 4.113 4.320 0.000 0.000 0.216 13 A C 2.245 179.718 177.584 -0.186 0.000 1.186 13 A CA 1.485 53.456 52.037 -0.110 0.000 0.620 13 A CB -0.803 18.220 19.000 0.039 0.000 0.822 13 A HN 0.361 nan 8.150 nan 0.000 0.443 14 L N 0.710 121.864 121.223 -0.114 0.000 2.017 14 L HA -0.180 4.160 4.340 0.000 0.000 0.208 14 L C 2.035 178.757 176.870 -0.246 0.000 1.073 14 L CA 2.677 57.411 54.840 -0.176 0.000 0.745 14 L CB -1.065 40.907 42.059 -0.146 0.000 0.894 14 L HN 0.552 nan 8.230 nan 0.000 0.432 15 N N -0.468 118.147 118.700 -0.141 0.000 2.036 15 N HA -0.247 4.493 4.740 0.000 0.000 0.195 15 N C 1.640 177.005 175.510 -0.241 0.000 1.037 15 N CA 1.996 54.997 53.050 -0.081 0.000 0.855 15 N CB -0.207 38.259 38.487 -0.036 0.000 1.033 15 N HN 0.389 nan 8.380 nan 0.000 0.423 16 N N 0.427 118.861 118.700 -0.443 0.000 2.188 16 N HA -0.117 4.623 4.740 0.000 0.000 0.184 16 N C 1.766 176.907 175.510 -0.615 0.000 1.018 16 N CA 0.515 53.155 53.050 -0.683 0.000 0.858 16 N CB -0.498 37.278 38.487 -1.184 0.000 0.989 16 N HN 0.361 nan 8.380 nan 0.000 0.426 17 L N 0.786 121.677 121.223 -0.553 0.000 1.989 17 L HA -0.135 4.205 4.340 0.000 0.000 0.211 17 L C 1.874 178.619 176.870 -0.209 0.000 1.071 17 L CA 1.298 55.996 54.840 -0.236 0.000 0.749 17 L CB -0.239 41.728 42.059 -0.153 0.000 0.890 17 L HN 0.099 nan 8.230 nan 0.000 0.431 18 L N -1.190 119.883 121.223 -0.250 0.000 2.291 18 L HA -0.212 4.128 4.340 0.000 0.000 0.214 18 L C 2.521 179.330 176.870 -0.102 0.000 1.120 18 L CA 0.454 55.170 54.840 -0.206 0.000 0.799 18 L CB -0.527 41.371 42.059 -0.268 0.000 0.925 18 L HN 0.427 nan 8.230 nan 0.000 0.446 19 c N -0.016 118.519 118.600 -0.107 0.000 2.422 19 c HA -0.114 4.457 4.570 0.000 0.000 0.286 19 c C 2.087 176.169 174.090 -0.014 0.000 1.412 19 c CA 0.867 57.161 56.329 -0.059 0.000 1.786 19 c CB -1.504 40.931 42.510 -0.124 0.000 1.835 19 c HN 0.542 nan 8.230 nan 0.000 0.533 20 N N -0.334 118.353 118.700 -0.021 0.000 2.236 20 N HA 0.106 4.847 4.740 0.000 0.000 0.196 20 N C -0.460 175.068 175.510 0.031 0.000 1.114 20 N CA -0.044 53.030 53.050 0.040 0.000 0.859 20 N CB 0.615 39.152 38.487 0.083 0.000 0.982 20 N HN 0.217 nan 8.380 nan 0.000 0.493 21 V N 1.074 120.989 119.914 0.002 0.000 2.398 21 V HA 0.410 4.530 4.120 0.000 0.000 0.286 21 V C 0.889 176.999 176.094 0.026 0.000 1.026 21 V CA -0.933 61.380 62.300 0.023 0.000 0.868 21 V CB 1.219 33.033 31.823 -0.015 0.000 0.982 21 V HN 0.077 nan 8.190 nan 0.000 0.443 22 G N 5.059 113.874 108.800 0.025 0.000 2.634 22 G HA2 0.378 4.338 3.960 0.000 0.000 0.255 22 G HA3 0.378 4.338 3.960 0.000 0.000 0.255 22 G C -1.417 173.464 174.900 -0.032 0.000 1.205 22 G CA -0.786 44.302 45.100 -0.020 0.000 0.884 22 G HN 0.605 nan 8.290 nan 0.000 0.549 23 P HA 0.088 nan 4.420 nan 0.000 0.257 23 P C 0.222 177.340 177.300 -0.304 0.000 1.241 23 P CA 0.620 63.618 63.100 -0.169 0.000 0.816 23 P CB 0.620 32.211 31.700 -0.181 0.000 1.150 24 D N -1.382 118.911 120.400 -0.179 0.000 2.469 24 D HA 0.094 4.734 4.640 0.000 0.000 0.213 24 D C 1.015 177.405 176.300 0.149 0.000 1.135 24 D CA -0.202 53.721 54.000 -0.127 0.000 0.834 24 D CB -0.726 40.055 40.800 -0.032 0.000 1.009 24 D HN -0.092 nan 8.370 nan 0.000 0.507 25 G N 1.162 110.016 108.800 0.089 0.000 2.414 25 G HA2 0.113 4.073 3.960 0.000 0.000 0.236 25 G HA3 0.113 4.073 3.960 0.000 0.000 0.236 25 G C 1.513 176.519 174.900 0.176 0.000 1.293 25 G CA 0.075 45.238 45.100 0.104 0.000 0.869 25 G HN 0.434 nan 8.290 nan 0.000 0.556 26 c N 1.582 120.249 118.600 0.111 0.000 2.419 26 c HA 0.072 4.642 4.570 0.000 0.000 0.281 26 c C 2.031 176.168 174.090 0.078 0.000 1.336 26 c CA 0.376 56.755 56.329 0.083 0.000 1.770 26 c CB -0.744 41.767 42.510 0.001 0.000 1.929 26 c HN 0.756 nan 8.230 nan 0.000 0.509 27 R N 0.557 121.102 120.500 0.075 0.000 2.437 27 R HA 0.355 4.695 4.340 0.000 0.000 0.257 27 R C 1.017 177.432 176.300 0.192 0.000 0.927 27 R CA 0.663 56.824 56.100 0.101 0.000 1.078 27 R CB 0.303 30.630 30.300 0.045 0.000 1.161 27 R HN 0.507 nan 8.270 nan 0.000 0.529 28 A N 0.880 123.813 122.820 0.188 0.000 2.812 28 A HA 0.252 4.573 4.320 0.000 0.000 0.294 28 A C -0.746 176.949 177.584 0.185 0.000 1.014 28 A CA -0.528 51.624 52.037 0.192 0.000 1.024 28 A CB -0.142 18.916 19.000 0.097 0.000 1.162 28 A HN 0.198 nan 8.150 nan 0.000 0.511 29 F N 0.990 120.996 119.950 0.092 0.000 2.472 29 F HA 0.455 4.982 4.527 0.000 0.000 0.364 29 F C 1.367 177.227 175.800 0.099 0.000 1.090 29 F CA 1.402 59.447 58.000 0.075 0.000 1.188 29 F CB 0.795 39.831 39.000 0.059 0.000 1.105 29 F HN 0.544 nan 8.300 nan 0.000 0.536 30 G N 2.518 111.168 108.800 -0.249 0.000 2.175 30 G HA2 -0.267 3.693 3.960 0.000 0.000 0.244 30 G HA3 -0.267 3.693 3.960 0.000 0.000 0.244 30 G C 0.264 175.155 174.900 -0.015 0.000 0.982 30 G CA 0.100 45.157 45.100 -0.072 0.000 0.641 30 G HN 0.974 nan 8.290 nan 0.000 0.527 31 T N -0.269 114.275 114.554 -0.016 0.000 2.860 31 T HA 0.590 4.940 4.350 0.000 0.000 0.299 31 T C 0.861 175.526 174.700 -0.057 0.000 1.045 31 T CA 0.438 62.522 62.100 -0.027 0.000 1.071 31 T CB 1.427 70.265 68.868 -0.050 0.000 0.985 31 T HN 0.667 nan 8.240 nan 0.000 0.537 32 S N 1.338 117.006 115.700 -0.053 0.000 2.561 32 S HA 0.360 4.830 4.470 0.000 0.000 0.294 32 S C 0.826 175.390 174.600 -0.061 0.000 1.294 32 S CA -0.340 57.826 58.200 -0.057 0.000 1.055 32 S CB -0.258 62.906 63.200 -0.060 0.000 0.819 32 S HN 1.090 nan 8.310 nan 0.000 0.503 33 A N 2.263 125.044 122.820 -0.066 0.000 2.520 33 A HA 0.506 4.826 4.320 0.000 0.000 0.245 33 A C 1.578 179.127 177.584 -0.058 0.000 1.072 33 A CA 0.182 52.181 52.037 -0.064 0.000 0.761 33 A CB -0.874 18.086 19.000 -0.067 0.000 1.004 33 A HN 1.795 nan 8.150 nan 0.000 0.499 34 G N 0.926 109.708 108.800 -0.029 0.000 2.253 34 G HA2 0.099 4.059 3.960 0.000 0.000 0.251 34 G HA3 0.099 4.059 3.960 0.000 0.000 0.251 34 G C 0.726 175.668 174.900 0.071 0.000 0.998 34 G CA 0.518 45.611 45.100 -0.012 0.000 0.621 34 G HN 2.248 nan 8.290 nan 0.000 0.524 35 A N -0.222 122.619 122.820 0.035 0.000 2.483 35 A HA 0.584 4.904 4.320 0.000 0.000 0.238 35 A C 0.341 177.987 177.584 0.104 0.000 1.070 35 A CA 0.850 52.917 52.037 0.049 0.000 0.770 35 A CB 0.834 19.822 19.000 -0.020 0.000 1.008 35 A HN 1.224 nan 8.150 nan 0.000 0.497 36 V N 4.495 124.485 119.914 0.127 0.000 2.376 36 V HA 0.289 4.409 4.120 0.000 0.000 0.287 36 V C 0.211 176.370 176.094 0.108 0.000 1.015 36 V CA -0.369 62.009 62.300 0.130 0.000 0.834 36 V CB 1.036 32.960 31.823 0.167 0.000 1.001 36 V HN 0.817 nan 8.190 nan 0.000 0.428 37 I N 2.497 123.104 120.570 0.062 0.000 2.588 37 I HA 0.494 4.664 4.170 0.000 0.000 0.283 37 I C 1.407 177.657 176.117 0.222 0.000 1.119 37 I CA 0.008 61.344 61.300 0.061 0.000 1.419 37 I CB 1.339 39.313 38.000 -0.043 0.000 1.394 37 I HN 0.599 nan 8.210 nan 0.000 0.562 38 A N 4.669 127.703 122.820 0.357 0.000 1.933 38 A HA -0.008 4.312 4.320 0.000 0.000 0.218 38 A C 1.276 179.099 177.584 0.398 0.000 1.175 38 A CA 1.569 53.838 52.037 0.386 0.000 0.628 38 A CB -0.307 18.909 19.000 0.359 0.000 0.814 38 A HN 0.904 nan 8.150 nan 0.000 0.444 39 S N -2.799 113.159 115.700 0.430 0.000 2.552 39 S HA 0.459 4.930 4.470 0.000 0.000 0.272 39 S C -2.726 172.117 174.600 0.407 0.000 1.150 39 S CA -0.484 57.948 58.200 0.387 0.000 0.849 39 S CB 1.706 65.121 63.200 0.359 0.000 1.113 39 S HN -0.043 nan 8.310 nan 0.000 0.458 40 P HA 0.074 nan 4.420 nan 0.000 0.237 40 P C 0.098 177.561 177.300 0.273 0.000 1.178 40 P CA 0.222 63.548 63.100 0.378 0.000 0.766 40 P CB -0.219 31.639 31.700 0.263 0.000 0.876 41 S N 0.468 116.304 115.700 0.227 0.000 2.515 41 S HA 0.113 4.583 4.470 0.000 0.000 0.285 41 S C 1.471 176.192 174.600 0.201 0.000 1.265 41 S CA 0.378 58.658 58.200 0.132 0.000 1.079 41 S CB 0.130 63.334 63.200 0.007 0.000 0.877 41 S HN 0.327 nan 8.310 nan 0.000 0.493 42 T N 0.905 115.530 114.554 0.119 0.000 3.014 42 T HA 0.397 4.747 4.350 0.000 0.000 0.250 42 T C 0.415 175.196 174.700 0.134 0.000 1.060 42 T CA -0.056 62.119 62.100 0.125 0.000 1.040 42 T CB 0.016 68.889 68.868 0.008 0.000 0.971 42 T HN 0.555 nan 8.240 nan 0.000 0.497 43 I N 1.316 121.950 120.570 0.107 0.000 2.752 43 I HA 0.337 4.507 4.170 0.000 0.000 0.295 43 I C -1.619 174.553 176.117 0.091 0.000 1.219 43 I CA -0.632 60.728 61.300 0.101 0.000 1.030 43 I CB 2.190 40.224 38.000 0.057 0.000 1.259 43 I HN 0.082 nan 8.210 nan 0.000 0.423 44 D N 5.860 126.335 120.400 0.125 0.000 2.890 44 D HA -0.112 4.528 4.640 0.000 0.000 0.226 44 D C -2.433 173.926 176.300 0.098 0.000 1.207 44 D CA 0.424 54.509 54.000 0.142 0.000 0.764 44 D CB -0.045 40.813 40.800 0.097 0.000 0.948 44 D HN 0.275 nan 8.370 nan 0.000 0.404 45 P HA 0.314 nan 4.420 nan 0.000 0.285 45 P C -0.788 176.664 177.300 0.254 0.000 1.285 45 P CA -0.584 62.645 63.100 0.214 0.000 0.854 45 P CB 0.916 32.740 31.700 0.208 0.000 1.180 46 D N 0.245 120.918 120.400 0.455 0.000 2.441 46 D HA 0.111 4.751 4.640 0.000 0.000 0.221 46 D C -0.692 176.134 176.300 0.877 0.000 1.156 46 D CA -0.224 54.097 54.000 0.534 0.000 0.896 46 D CB -0.442 40.648 40.800 0.482 0.000 1.028 46 D HN 0.119 nan 8.370 nan 0.000 0.509 47 Y N 2.485 123.076 120.300 0.485 0.000 2.555 47 Y HA 0.149 4.699 4.550 0.000 0.000 0.259 47 Y C -0.047 176.199 175.900 0.576 0.000 1.179 47 Y CA -0.775 57.696 58.100 0.617 0.000 1.230 47 Y CB -0.661 38.049 38.460 0.416 0.000 1.146 47 Y HN 0.435 nan 8.280 nan 0.000 0.526 48 Y N 1.330 121.812 120.300 0.305 0.000 2.734 48 Y HA 0.222 4.772 4.550 0.000 0.000 0.353 48 Y C -1.117 174.547 175.900 -0.394 0.000 1.244 48 Y CA -0.294 57.812 58.100 0.010 0.000 1.950 48 Y CB -1.098 37.346 38.460 -0.027 0.000 2.028 48 Y HN 0.005 nan 8.280 nan 0.000 0.421 49 Y N 0.767 121.065 120.300 -0.003 0.000 2.644 49 Y HA 0.385 4.935 4.550 0.000 0.000 0.338 49 Y C -0.504 175.311 175.900 -0.141 0.000 1.119 49 Y CA -1.588 56.367 58.100 -0.241 0.000 1.060 49 Y CB 1.383 39.415 38.460 -0.714 0.000 1.294 49 Y HN 0.096 nan 8.280 nan 0.000 0.472 50 M N 2.133 121.724 119.600 -0.015 0.000 2.101 50 M HA 0.343 4.824 4.480 0.000 0.000 0.340 50 M C -1.854 174.468 176.300 0.037 0.000 1.057 50 M CA -0.245 55.105 55.300 0.083 0.000 0.984 50 M CB 0.951 33.593 32.600 0.071 0.000 1.560 50 M HN 0.579 nan 8.290 nan 0.000 0.435 51 W N 4.277 125.617 121.300 0.066 0.000 2.417 51 W HA 0.215 4.876 4.660 0.000 0.000 0.317 51 W C 0.759 177.327 176.519 0.082 0.000 1.121 51 W CA -0.379 56.991 57.345 0.041 0.000 1.208 51 W CB 1.724 31.199 29.460 0.025 0.000 1.253 51 W HN 0.722 nan 8.180 nan 0.000 0.533 52 T N 2.072 116.790 114.554 0.273 0.000 2.720 52 T HA -0.264 4.087 4.350 0.000 0.000 0.268 52 T C 1.998 176.796 174.700 0.164 0.000 1.037 52 T CA 1.448 63.670 62.100 0.203 0.000 1.144 52 T CB -0.062 68.900 68.868 0.156 0.000 0.864 52 T HN 0.415 nan 8.240 nan 0.000 0.444 53 R N 1.105 121.706 120.500 0.168 0.000 2.070 53 R HA -0.148 4.192 4.340 0.000 0.000 0.232 53 R C 1.948 178.187 176.300 -0.102 0.000 1.138 53 R CA 2.259 58.376 56.100 0.028 0.000 0.936 53 R CB -0.428 29.883 30.300 0.019 0.000 0.839 53 R HN 0.272 nan 8.270 nan 0.000 0.429 54 D N 0.098 120.473 120.400 -0.041 0.000 2.104 54 D HA -0.130 4.510 4.640 0.000 0.000 0.194 54 D C 2.038 178.306 176.300 -0.053 0.000 0.994 54 D CA 1.981 55.909 54.000 -0.120 0.000 0.830 54 D CB -0.170 40.693 40.800 0.103 0.000 0.959 54 D HN 0.216 nan 8.370 nan 0.000 0.452 55 S N 0.267 116.018 115.700 0.084 0.000 2.368 55 S HA -0.135 4.335 4.470 0.000 0.000 0.225 55 S C 2.130 176.724 174.600 -0.010 0.000 1.030 55 S CA 1.073 59.331 58.200 0.097 0.000 0.999 55 S CB -0.436 62.908 63.200 0.239 0.000 0.844 55 S HN 0.382 nan 8.310 nan 0.000 0.459 56 A N 1.350 124.199 122.820 0.049 0.000 1.972 56 A HA 0.043 4.363 4.320 0.000 0.000 0.219 56 A C 2.116 179.660 177.584 -0.066 0.000 1.169 56 A CA 1.047 53.107 52.037 0.038 0.000 0.635 56 A CB -0.652 18.395 19.000 0.078 0.000 0.810 56 A HN 0.450 nan 8.150 nan 0.000 0.446 57 L N -0.883 120.238 121.223 -0.170 0.000 2.109 57 L HA -0.100 4.240 4.340 0.000 0.000 0.207 57 L C 2.466 179.245 176.870 -0.150 0.000 1.086 57 L CA 0.704 55.407 54.840 -0.229 0.000 0.760 57 L CB -0.473 41.262 42.059 -0.541 0.000 0.910 57 L HN 0.218 nan 8.230 nan 0.000 0.437 58 V N -0.716 119.096 119.914 -0.171 0.000 2.358 58 V HA -0.261 3.859 4.120 0.000 0.000 0.246 58 V C 2.191 178.104 176.094 -0.302 0.000 1.047 58 V CA 1.843 64.029 62.300 -0.190 0.000 1.035 58 V CB -0.502 31.209 31.823 -0.187 0.000 0.658 58 V HN 0.231 nan 8.190 nan 0.000 0.452 59 F N 0.329 120.075 119.950 -0.340 0.000 2.325 59 F HA -0.041 4.486 4.527 0.000 0.000 0.299 59 F C 2.283 177.949 175.800 -0.224 0.000 1.090 59 F CA 1.411 59.165 58.000 -0.411 0.000 1.392 59 F CB -0.220 38.251 39.000 -0.882 0.000 1.053 59 F HN 0.044 nan 8.300 nan 0.000 0.521 60 K N 0.985 121.390 120.400 0.007 0.000 2.057 60 K HA -0.226 4.094 4.320 0.000 0.000 0.207 60 K C 1.824 178.443 176.600 0.030 0.000 1.049 60 K CA 1.688 58.002 56.287 0.044 0.000 0.931 60 K CB -0.631 31.900 32.500 0.050 0.000 0.714 60 K HN 0.152 nan 8.250 nan 0.000 0.440 61 N N -0.031 118.663 118.700 -0.009 0.000 2.069 61 N HA -0.122 4.619 4.740 0.000 0.000 0.191 61 N C 1.600 177.076 175.510 -0.058 0.000 1.031 61 N CA 1.726 54.766 53.050 -0.017 0.000 0.852 61 N CB -0.158 38.318 38.487 -0.019 0.000 1.018 61 N HN 0.242 nan 8.380 nan 0.000 0.423 62 L N -0.105 121.027 121.223 -0.152 0.000 2.056 62 L HA -0.061 4.280 4.340 0.000 0.000 0.207 62 L C 2.234 179.072 176.870 -0.054 0.000 1.078 62 L CA 0.797 55.522 54.840 -0.193 0.000 0.749 62 L CB -0.420 41.369 42.059 -0.449 0.000 0.901 62 L HN 0.232 nan 8.230 nan 0.000 0.433 63 I N 0.022 120.594 120.570 0.002 0.000 2.208 63 I HA -0.312 3.858 4.170 0.000 0.000 0.245 63 I C 2.050 178.281 176.117 0.189 0.000 1.097 63 I CA 1.256 62.617 61.300 0.102 0.000 1.363 63 I CB -0.350 37.733 38.000 0.139 0.000 1.051 63 I HN 0.262 nan 8.210 nan 0.000 0.413 64 D N 0.578 121.054 120.400 0.126 0.000 2.117 64 D HA -0.127 4.513 4.640 0.000 0.000 0.198 64 D C 2.355 178.717 176.300 0.104 0.000 0.982 64 D CA 1.082 55.157 54.000 0.124 0.000 0.828 64 D CB -0.182 40.670 40.800 0.087 0.000 0.967 64 D HN 0.270 nan 8.370 nan 0.000 0.464 65 R N -0.376 120.163 120.500 0.065 0.000 2.081 65 R HA -0.100 4.240 4.340 0.000 0.000 0.235 65 R C 2.283 178.625 176.300 0.070 0.000 1.131 65 R CA 0.805 56.928 56.100 0.038 0.000 0.960 65 R CB -0.531 29.758 30.300 -0.017 0.000 0.856 65 R HN 0.204 nan 8.270 nan 0.000 0.436 66 F N 1.716 121.624 119.950 -0.071 0.000 2.171 66 F HA -0.201 4.327 4.527 0.000 0.000 0.300 66 F C 2.079 177.872 175.800 -0.011 0.000 1.090 66 F CA 1.660 59.593 58.000 -0.111 0.000 1.293 66 F CB -0.316 38.560 39.000 -0.206 0.000 1.013 66 F HN -0.127 nan 8.300 nan 0.000 0.486 67 T N 0.382 115.020 114.554 0.140 0.000 2.746 67 T HA -0.166 4.184 4.350 0.000 0.000 0.267 67 T C 1.786 176.561 174.700 0.124 0.000 1.039 67 T CA 1.590 63.810 62.100 0.199 0.000 1.142 67 T CB -0.251 68.799 68.868 0.303 0.000 0.866 67 T HN 0.305 nan 8.240 nan 0.000 0.444 68 E N 0.921 121.170 120.200 0.082 0.000 2.077 68 E HA -0.031 4.319 4.350 0.000 0.000 0.193 68 E C 0.404 177.027 176.600 0.039 0.000 0.989 68 E CA 1.002 57.438 56.400 0.060 0.000 0.800 68 E CB 0.016 29.742 29.700 0.044 0.000 0.746 68 E HN 0.382 nan 8.360 nan 0.000 0.452 69 T N 0.310 114.864 114.554 -0.000 0.000 3.143 69 T HA 0.146 4.496 4.350 0.000 0.000 0.312 69 T C -0.951 173.689 174.700 -0.100 0.000 0.986 69 T CA -0.669 61.429 62.100 -0.005 0.000 1.024 69 T CB 1.034 69.910 68.868 0.013 0.000 1.030 69 T HN 0.024 nan 8.240 nan 0.000 0.448 70 Y N 3.297 123.470 120.300 -0.212 0.000 2.717 70 Y HA 0.263 4.813 4.550 0.000 0.000 0.330 70 Y C 0.183 175.999 175.900 -0.140 0.000 1.217 70 Y CA 0.543 58.418 58.100 -0.376 0.000 1.506 70 Y CB 0.397 38.769 38.460 -0.147 0.000 1.268 70 Y HN 0.544 nan 8.280 nan 0.000 0.561 71 D N 4.951 124.910 120.400 -0.735 0.000 2.602 71 D HA 0.298 4.938 4.640 0.000 0.000 0.245 71 D C 0.045 176.059 176.300 -0.478 0.000 1.325 71 D CA 0.082 53.858 54.000 -0.373 0.000 0.952 71 D CB 1.704 42.450 40.800 -0.089 0.000 1.317 71 D HN 0.757 nan 8.370 nan 0.000 0.577 72 A N 2.784 125.329 122.820 -0.459 0.000 2.015 72 A HA 0.059 4.380 4.320 0.000 0.000 0.219 72 A C 1.881 179.394 177.584 -0.118 0.000 1.163 72 A CA 1.784 53.675 52.037 -0.243 0.000 0.646 72 A CB -0.276 18.736 19.000 0.021 0.000 0.806 72 A HN 0.589 nan 8.150 nan 0.000 0.448 73 G N 0.007 108.762 108.800 -0.074 0.000 2.404 73 G HA2 -0.126 3.834 3.960 0.000 0.000 0.215 73 G HA3 -0.126 3.834 3.960 0.000 0.000 0.215 73 G C 1.530 176.378 174.900 -0.087 0.000 1.174 73 G CA 0.914 45.996 45.100 -0.031 0.000 0.780 73 G HN 0.411 nan 8.290 nan 0.000 0.537 74 L N 0.152 121.311 121.223 -0.107 0.000 1.989 74 L HA -0.216 4.124 4.340 0.000 0.000 0.211 74 L C 2.997 179.640 176.870 -0.379 0.000 1.071 74 L CA 1.965 56.690 54.840 -0.191 0.000 0.749 74 L CB -0.673 41.322 42.059 -0.107 0.000 0.890 74 L HN 0.364 nan 8.230 nan 0.000 0.431 75 Q N 0.147 119.652 119.800 -0.492 0.000 2.077 75 Q HA -0.281 4.059 4.340 0.000 0.000 0.206 75 Q C 2.471 178.160 176.000 -0.518 0.000 0.989 75 Q CA 1.733 57.086 55.803 -0.750 0.000 0.853 75 Q CB -0.152 28.348 28.738 -0.397 0.000 0.907 75 Q HN 0.247 nan 8.270 nan 0.000 0.418 76 R N 0.503 120.828 120.500 -0.292 0.000 2.091 76 R HA -0.165 4.175 4.340 0.000 0.000 0.238 76 R C 2.104 178.270 176.300 -0.224 0.000 1.136 76 R CA 1.986 57.956 56.100 -0.216 0.000 0.959 76 R CB -0.209 30.024 30.300 -0.112 0.000 0.856 76 R HN 0.323 nan 8.270 nan 0.000 0.437 77 R N -0.163 120.234 120.500 -0.172 0.000 2.075 77 R HA -0.031 4.309 4.340 0.000 0.000 0.232 77 R C 2.490 178.738 176.300 -0.087 0.000 1.126 77 R CA 1.640 57.716 56.100 -0.041 0.000 0.963 77 R CB -0.352 29.978 30.300 0.049 0.000 0.858 77 R HN 0.245 nan 8.270 nan 0.000 0.435 78 I N 0.900 121.319 120.570 -0.252 0.000 2.163 78 I HA -0.280 3.890 4.170 0.000 0.000 0.243 78 I C 2.069 177.770 176.117 -0.693 0.000 1.085 78 I CA 1.532 62.507 61.300 -0.541 0.000 1.347 78 I CB -0.276 37.161 38.000 -0.939 0.000 1.044 78 I HN 0.208 nan 8.210 nan 0.000 0.408 79 E N 0.313 120.040 120.200 -0.788 0.000 2.077 79 E HA -0.274 4.077 4.350 0.000 0.000 0.193 79 E C 2.262 178.587 176.600 -0.458 0.000 0.989 79 E CA 1.145 56.995 56.400 -0.918 0.000 0.800 79 E CB -0.113 29.014 29.700 -0.955 0.000 0.746 79 E HN 0.555 nan 8.360 nan 0.000 0.452 80 Q N -0.345 119.262 119.800 -0.322 0.000 2.079 80 Q HA -0.199 4.142 4.340 0.000 0.000 0.200 80 Q C 2.033 177.901 176.000 -0.220 0.000 0.974 80 Q CA 1.396 57.083 55.803 -0.194 0.000 0.840 80 Q CB -0.224 28.437 28.738 -0.128 0.000 0.898 80 Q HN 0.376 nan 8.270 nan 0.000 0.430 81 Y N 1.241 121.243 120.300 -0.496 0.000 2.181 81 Y HA -0.223 4.327 4.550 0.000 0.000 0.288 81 Y C 1.755 177.388 175.900 -0.445 0.000 1.146 81 Y CA 1.394 59.107 58.100 -0.645 0.000 1.164 81 Y CB -0.233 37.307 38.460 -1.533 0.000 0.982 81 Y HN 0.008 nan 8.280 nan 0.000 0.515 82 I N 0.080 120.295 120.570 -0.592 0.000 2.142 82 I HA -0.311 3.859 4.170 0.000 0.000 0.240 82 I C 2.574 178.543 176.117 -0.246 0.000 1.078 82 I CA 1.996 63.033 61.300 -0.439 0.000 1.343 82 I CB -0.961 36.977 38.000 -0.104 0.000 1.046 82 I HN 0.398 nan 8.210 nan 0.000 0.405 83 T N -0.471 114.025 114.554 -0.098 0.000 2.833 83 T HA -0.097 4.253 4.350 0.000 0.000 0.269 83 T C 1.978 176.591 174.700 -0.146 0.000 1.054 83 T CA 0.978 63.044 62.100 -0.056 0.000 1.135 83 T CB -0.475 68.409 68.868 0.026 0.000 0.869 83 T HN 0.344 nan 8.240 nan 0.000 0.466 84 A N 1.465 124.162 122.820 -0.206 0.000 2.024 84 A HA -0.109 4.211 4.320 0.000 0.000 0.220 84 A C 2.485 179.902 177.584 -0.278 0.000 1.164 84 A CA 1.306 53.210 52.037 -0.221 0.000 0.643 84 A CB -0.589 18.283 19.000 -0.213 0.000 0.806 84 A HN 0.480 nan 8.150 nan 0.000 0.451 85 Q N -0.286 119.311 119.800 -0.338 0.000 2.224 85 Q HA -0.061 4.279 4.340 0.000 0.000 0.203 85 Q C 2.231 178.084 176.000 -0.245 0.000 0.970 85 Q CA 1.345 56.945 55.803 -0.338 0.000 0.865 85 Q CB -0.968 27.535 28.738 -0.392 0.000 0.922 85 Q HN 0.513 nan 8.270 nan 0.000 0.445 86 V N 0.857 120.657 119.914 -0.190 0.000 2.287 86 V HA -0.262 3.859 4.120 0.000 0.000 0.248 86 V C 2.186 178.196 176.094 -0.141 0.000 1.053 86 V CA 2.236 64.454 62.300 -0.138 0.000 1.027 86 V CB -1.115 30.648 31.823 -0.101 0.000 0.646 86 V HN 0.358 nan 8.190 nan 0.000 0.447 87 T N 0.512 114.970 114.554 -0.160 0.000 2.701 87 T HA -0.097 4.253 4.350 0.000 0.000 0.263 87 T C 1.923 176.494 174.700 -0.215 0.000 1.040 87 T CA 1.578 63.584 62.100 -0.158 0.000 1.147 87 T CB -0.328 68.450 68.868 -0.150 0.000 0.865 87 T HN 0.283 nan 8.240 nan 0.000 0.426 88 L N 0.827 121.850 121.223 -0.334 0.000 2.017 88 L HA -0.157 4.183 4.340 0.000 0.000 0.208 88 L C 3.005 179.663 176.870 -0.354 0.000 1.073 88 L CA 1.431 55.943 54.840 -0.547 0.000 0.745 88 L CB -0.681 40.883 42.059 -0.826 0.000 0.894 88 L HN 0.313 nan 8.230 nan 0.000 0.432 89 Q N -0.243 119.410 119.800 -0.245 0.000 2.135 89 Q HA -0.186 4.154 4.340 0.000 0.000 0.204 89 Q C 2.186 178.134 176.000 -0.087 0.000 0.981 89 Q CA 1.548 57.266 55.803 -0.142 0.000 0.856 89 Q CB -0.381 28.287 28.738 -0.118 0.000 0.902 89 Q HN 0.645 nan 8.270 nan 0.000 0.425 90 G N 0.275 109.022 108.800 -0.088 0.000 2.598 90 G HA2 -0.011 3.949 3.960 0.000 0.000 0.215 90 G HA3 -0.011 3.949 3.960 0.000 0.000 0.215 90 G C 0.556 175.437 174.900 -0.030 0.000 1.131 90 G CA -0.134 44.937 45.100 -0.049 0.000 0.785 90 G HN 0.108 nan 8.290 nan 0.000 0.539 91 L N 2.085 123.289 121.223 -0.032 0.000 2.360 91 L HA 0.182 4.522 4.340 0.000 0.000 0.276 91 L C 0.297 177.193 176.870 0.043 0.000 1.121 91 L CA -0.426 54.425 54.840 0.018 0.000 0.845 91 L CB 1.144 43.241 42.059 0.062 0.000 1.143 91 L HN -0.052 nan 8.230 nan 0.000 0.452 92 S N 3.206 118.924 115.700 0.030 0.000 2.549 92 S HA 0.206 4.676 4.470 0.000 0.000 0.283 92 S C -0.119 174.503 174.600 0.037 0.000 1.320 92 S CA -0.487 57.728 58.200 0.024 0.000 1.058 92 S CB 0.381 63.589 63.200 0.014 0.000 0.882 92 S HN 0.789 nan 8.310 nan 0.000 0.498 93 N N 2.165 120.877 118.700 0.020 0.000 2.853 93 N HA 0.502 5.242 4.740 0.000 0.000 0.258 93 N C -2.976 172.513 175.510 -0.035 0.000 1.444 93 N CA -1.717 51.330 53.050 -0.006 0.000 0.837 93 N CB 0.208 38.691 38.487 -0.006 0.000 1.489 93 N HN 0.038 nan 8.380 nan 0.000 0.529 94 P HA 0.027 nan 4.420 nan 0.000 0.225 94 P C 0.489 177.771 177.300 -0.030 0.000 1.148 94 P CA 0.990 64.063 63.100 -0.045 0.000 0.779 94 P CB 0.172 31.838 31.700 -0.057 0.000 0.780 95 S N -1.572 114.101 115.700 -0.045 0.000 2.436 95 S HA 0.293 4.763 4.470 0.000 0.000 0.228 95 S C 1.213 175.794 174.600 -0.031 0.000 1.014 95 S CA 1.043 59.223 58.200 -0.033 0.000 0.950 95 S CB -0.296 62.870 63.200 -0.056 0.000 0.784 95 S HN 0.415 nan 8.310 nan 0.000 0.504 96 G N 0.543 109.325 108.800 -0.030 0.000 2.291 96 G HA2 0.195 4.155 3.960 0.000 0.000 0.249 96 G HA3 0.195 4.155 3.960 0.000 0.000 0.249 96 G C -0.988 173.898 174.900 -0.023 0.000 1.340 96 G CA -0.312 44.774 45.100 -0.023 0.000 1.017 96 G HN 0.542 nan 8.290 nan 0.000 0.470 97 S N -0.907 114.777 115.700 -0.027 0.000 2.726 97 S HA 0.668 5.138 4.470 0.000 0.000 0.308 97 S C 0.944 175.508 174.600 -0.059 0.000 1.115 97 S CA 0.031 58.216 58.200 -0.025 0.000 0.965 97 S CB 1.875 65.072 63.200 -0.005 0.000 1.145 97 S HN 1.576 nan 8.310 nan 0.000 0.532 98 L N 1.160 122.356 121.223 -0.045 0.000 2.141 98 L HA 0.182 4.522 4.340 0.000 0.000 0.209 98 L C 2.443 179.279 176.870 -0.057 0.000 1.094 98 L CA 2.136 56.937 54.840 -0.064 0.000 0.763 98 L CB -1.593 40.462 42.059 -0.008 0.000 0.908 98 L HN 0.925 nan 8.230 nan 0.000 0.437 99 A N 0.192 123.017 122.820 0.008 0.000 1.908 99 A HA -0.242 4.078 4.320 0.000 0.000 0.218 99 A C 1.787 179.440 177.584 0.115 0.000 1.181 99 A CA 1.959 54.044 52.037 0.079 0.000 0.627 99 A CB -0.903 18.135 19.000 0.063 0.000 0.818 99 A HN 0.688 nan 8.150 nan 0.000 0.445 100 D N -3.158 117.254 120.400 0.020 0.000 2.349 100 D HA 0.323 4.963 4.640 0.000 0.000 0.214 100 D C 1.153 177.335 176.300 -0.198 0.000 1.063 100 D CA 1.018 55.051 54.000 0.055 0.000 0.847 100 D CB -0.252 40.608 40.800 0.099 0.000 0.933 100 D HN 0.799 nan 8.370 nan 0.000 0.513 101 G N 0.594 108.989 108.800 -0.676 0.000 2.284 101 G HA2 -0.408 3.552 3.960 0.000 0.000 0.247 101 G HA3 -0.408 3.552 3.960 0.000 0.000 0.247 101 G C 1.400 176.143 174.900 -0.261 0.000 1.012 101 G CA 0.969 45.481 45.100 -0.981 0.000 0.618 101 G HN 0.708 nan 8.290 nan 0.000 0.521 102 S N 0.615 116.204 115.700 -0.186 0.000 2.400 102 S HA 0.095 4.565 4.470 0.000 0.000 0.232 102 S C 2.463 176.981 174.600 -0.136 0.000 1.025 102 S CA 1.756 59.828 58.200 -0.213 0.000 0.993 102 S CB -0.919 62.220 63.200 -0.102 0.000 0.808 102 S HN 1.708 nan 8.310 nan 0.000 0.478 103 G N 1.328 110.055 108.800 -0.122 0.000 2.498 103 G HA2 0.033 3.993 3.960 0.000 0.000 0.219 103 G HA3 0.033 3.993 3.960 0.000 0.000 0.219 103 G C 1.289 176.115 174.900 -0.123 0.000 1.119 103 G CA 0.653 45.699 45.100 -0.090 0.000 0.766 103 G HN 0.560 nan 8.290 nan 0.000 0.552 104 L N 0.425 121.491 121.223 -0.261 0.000 2.395 104 L HA 0.154 4.494 4.340 0.000 0.000 0.218 104 L C 2.742 179.273 176.870 -0.564 0.000 1.130 104 L CA 0.561 55.164 54.840 -0.394 0.000 0.826 104 L CB 0.015 41.777 42.059 -0.495 0.000 0.941 104 L HN 0.254 nan 8.230 nan 0.000 0.451 105 G N -0.664 107.782 108.800 -0.590 0.000 2.920 105 G HA2 -0.115 3.845 3.960 0.000 0.000 0.208 105 G HA3 -0.115 3.845 3.960 0.000 0.000 0.208 105 G C 0.480 175.303 174.900 -0.128 0.000 1.159 105 G CA -0.286 44.610 45.100 -0.340 0.000 0.784 105 G HN 0.210 nan 8.290 nan 0.000 0.535 106 E N 1.379 121.494 120.200 -0.142 0.000 2.493 106 E HA 0.114 4.465 4.350 0.000 0.000 0.255 106 E C -1.157 175.311 176.600 -0.219 0.000 0.999 106 E CA -1.403 54.873 56.400 -0.206 0.000 0.934 106 E CB 1.183 30.675 29.700 -0.346 0.000 0.940 106 E HN 0.068 nan 8.360 nan 0.000 0.473 107 P HA -0.077 nan 4.420 nan 0.000 0.216 107 P C -0.796 176.282 177.300 -0.370 0.000 1.153 107 P CA 1.417 64.461 63.100 -0.093 0.000 0.844 107 P CB 0.086 31.857 31.700 0.117 0.000 0.787 108 K N -2.559 117.335 120.400 -0.844 0.000 2.536 108 K HA 0.572 4.892 4.320 0.000 0.000 0.269 108 K C -1.505 174.440 176.600 -1.092 0.000 0.965 108 K CA -0.823 54.817 56.287 -1.078 0.000 0.860 108 K CB 1.050 32.324 32.500 -2.043 0.000 1.423 108 K HN -0.222 nan 8.250 nan 0.000 0.438 109 F N 0.411 120.098 119.950 -0.438 0.000 2.613 109 F HA 0.333 4.860 4.527 0.000 0.000 0.314 109 F C 0.032 175.787 175.800 -0.076 0.000 1.075 109 F CA -1.005 56.882 58.000 -0.189 0.000 0.945 109 F CB 1.758 40.679 39.000 -0.133 0.000 1.310 109 F HN 0.418 nan 8.300 nan 0.000 0.467 110 E N 1.401 121.739 120.200 0.231 0.000 2.418 110 E HA 0.059 4.409 4.350 0.000 0.000 0.261 110 E C 0.688 177.320 176.600 0.053 0.000 1.070 110 E CA 0.203 56.701 56.400 0.163 0.000 0.931 110 E CB 0.644 30.447 29.700 0.171 0.000 0.954 110 E HN 0.607 nan 8.360 nan 0.000 0.439 111 L N 1.352 122.537 121.223 -0.063 0.000 2.610 111 L HA -0.075 4.265 4.340 0.000 0.000 0.232 111 L C 1.939 178.775 176.870 -0.058 0.000 1.149 111 L CA 0.783 55.556 54.840 -0.110 0.000 0.872 111 L CB -0.339 41.553 42.059 -0.278 0.000 0.992 111 L HN 0.534 nan 8.230 nan 0.000 0.447 112 T N -3.376 111.168 114.554 -0.017 0.000 3.148 112 T HA 0.103 4.454 4.350 0.000 0.000 0.253 112 T C 0.927 175.625 174.700 -0.004 0.000 1.134 112 T CA -0.303 61.798 62.100 0.003 0.000 1.051 112 T CB -0.261 68.627 68.868 0.032 0.000 0.959 112 T HN 0.225 nan 8.240 nan 0.000 0.525 113 L N -0.236 120.977 121.223 -0.015 0.000 3.601 113 L HA -0.156 4.184 4.340 0.000 0.000 0.469 113 L C -0.316 176.551 176.870 -0.005 0.000 1.294 113 L CA 0.393 55.201 54.840 -0.054 0.000 0.829 113 L CB -1.437 40.555 42.059 -0.111 0.000 1.628 113 L HN 0.351 nan 8.230 nan 0.000 0.868 114 K N -0.224 120.228 120.400 0.085 0.000 2.395 114 K HA 0.634 4.954 4.320 0.000 0.000 0.247 114 K C -2.414 174.324 176.600 0.229 0.000 0.973 114 K CA -2.059 54.301 56.287 0.122 0.000 0.828 114 K CB 1.531 34.089 32.500 0.097 0.000 1.272 114 K HN -0.314 nan 8.250 nan 0.000 0.439 115 P HA -0.019 nan 4.420 nan 0.000 0.262 115 P C -0.507 176.830 177.300 0.062 0.000 1.182 115 P CA 0.069 63.250 63.100 0.136 0.000 0.761 115 P CB 0.025 31.759 31.700 0.057 0.000 0.795 116 F N 4.064 123.893 119.950 -0.201 0.000 2.471 116 F HA 0.153 4.680 4.527 0.000 0.000 0.365 116 F C 1.354 177.007 175.800 -0.244 0.000 1.095 116 F CA 0.231 58.060 58.000 -0.284 0.000 1.174 116 F CB 0.481 39.123 39.000 -0.597 0.000 1.105 116 F HN 0.297 nan 8.300 nan 0.000 0.535 117 T N 2.013 116.111 114.554 -0.760 0.000 3.044 117 T HA 0.297 4.648 4.350 0.000 0.000 0.250 117 T C 1.058 175.372 174.700 -0.644 0.000 1.081 117 T CA 0.230 62.023 62.100 -0.512 0.000 1.040 117 T CB -0.527 68.199 68.868 -0.237 0.000 0.962 117 T HN 0.661 nan 8.240 nan 0.000 0.506 118 G N 1.821 109.838 108.800 -1.305 0.000 2.636 118 G HA2 0.335 4.295 3.960 0.000 0.000 0.246 118 G HA3 0.335 4.295 3.960 0.000 0.000 0.246 118 G C -0.245 174.525 174.900 -0.217 0.000 1.216 118 G CA -0.746 43.930 45.100 -0.707 0.000 0.854 118 G HN 0.336 nan 8.290 nan 0.000 0.572 119 N N 0.018 118.734 118.700 0.026 0.000 2.458 119 N HA 0.125 4.865 4.740 0.000 0.000 0.258 119 N C -0.464 175.265 175.510 0.365 0.000 1.219 119 N CA 0.386 53.516 53.050 0.133 0.000 0.902 119 N CB 0.756 39.293 38.487 0.082 0.000 1.076 119 N HN 0.638 nan 8.380 nan 0.000 0.455 120 W N -0.557 120.717 121.300 -0.044 0.000 3.066 120 W HA 0.320 4.980 4.660 0.000 0.000 0.330 120 W C -0.364 175.945 176.519 -0.351 0.000 1.253 120 W CA -0.952 56.314 57.345 -0.132 0.000 1.187 120 W CB 1.514 30.923 29.460 -0.084 0.000 1.434 120 W HN 0.520 nan 8.180 nan 0.000 0.572 121 G N 3.105 111.282 108.800 -1.038 0.000 2.778 121 G HA2 0.334 4.294 3.960 0.000 0.000 0.287 121 G HA3 0.334 4.294 3.960 0.000 0.000 0.287 121 G C -0.276 174.154 174.900 -0.783 0.000 0.747 121 G CA -0.218 43.919 45.100 -1.606 0.000 1.961 121 G HN 0.329 nan 8.290 nan 0.000 0.539 122 R N 1.832 122.139 120.500 -0.323 0.000 2.854 122 R HA 0.753 5.093 4.340 0.000 0.000 0.271 122 R C -2.736 173.722 176.300 0.264 0.000 0.996 122 R CA -1.940 54.207 56.100 0.078 0.000 0.961 122 R CB 1.591 31.932 30.300 0.067 0.000 1.182 122 R HN 0.096 nan 8.270 nan 0.000 0.479 123 P HA 0.117 nan 4.420 nan 0.000 0.276 123 P C -1.187 176.260 177.300 0.245 0.000 1.261 123 P CA -0.560 62.643 63.100 0.172 0.000 0.800 123 P CB 0.716 32.496 31.700 0.133 0.000 1.066 124 Q N 0.280 120.191 119.800 0.185 0.000 2.363 124 Q HA 0.300 4.641 4.340 0.000 0.000 0.265 124 Q C 0.655 176.758 176.000 0.173 0.000 1.032 124 Q CA -0.345 55.581 55.803 0.205 0.000 0.746 124 Q CB 1.775 30.637 28.738 0.208 0.000 1.237 124 Q HN 0.292 nan 8.270 nan 0.000 0.475 125 R N 1.201 121.835 120.500 0.222 0.000 2.313 125 R HA -0.065 4.275 4.340 0.000 0.000 0.199 125 R C 0.775 177.216 176.300 0.234 0.000 0.958 125 R CA 0.583 56.866 56.100 0.305 0.000 1.047 125 R CB 0.268 30.779 30.300 0.352 0.000 0.955 125 R HN 0.667 nan 8.270 nan 0.000 0.481 126 D N -0.059 120.440 120.400 0.164 0.000 2.234 126 D HA -0.074 4.566 4.640 0.000 0.000 0.205 126 D C 1.686 178.019 176.300 0.055 0.000 0.962 126 D CA 1.005 55.066 54.000 0.101 0.000 0.855 126 D CB -0.385 40.512 40.800 0.162 0.000 0.951 126 D HN 0.134 nan 8.370 nan 0.000 0.500 127 G N 2.211 111.046 108.800 0.058 0.000 2.545 127 G HA2 -0.233 3.727 3.960 0.000 0.000 0.217 127 G HA3 -0.233 3.727 3.960 0.000 0.000 0.217 127 G C -0.526 174.359 174.900 -0.025 0.000 1.218 127 G CA 1.234 46.347 45.100 0.022 0.000 0.787 127 G HN 0.327 nan 8.290 nan 0.000 0.571 128 P HA -0.117 nan 4.420 nan 0.000 0.216 128 P C 2.213 179.500 177.300 -0.021 0.000 1.153 128 P CA 2.181 65.237 63.100 -0.074 0.000 0.858 128 P CB -0.205 31.430 31.700 -0.108 0.000 0.789 129 A N -0.607 122.214 122.820 0.002 0.000 1.865 129 A HA -0.199 4.122 4.320 0.000 0.000 0.217 129 A C 2.230 179.756 177.584 -0.098 0.000 1.191 129 A CA 1.736 53.741 52.037 -0.053 0.000 0.623 129 A CB -1.695 17.261 19.000 -0.072 0.000 0.826 129 A HN 0.121 nan 8.150 nan 0.000 0.444 130 L N -1.296 119.872 121.223 -0.092 0.000 2.083 130 L HA -0.158 4.183 4.340 0.000 0.000 0.209 130 L C 2.788 179.641 176.870 -0.028 0.000 1.083 130 L CA 1.731 56.516 54.840 -0.091 0.000 0.752 130 L CB -0.488 41.521 42.059 -0.084 0.000 0.899 130 L HN 0.467 nan 8.230 nan 0.000 0.433 131 R N 0.470 120.968 120.500 -0.003 0.000 2.073 131 R HA -0.163 4.177 4.340 0.000 0.000 0.234 131 R C 2.394 178.696 176.300 0.004 0.000 1.134 131 R CA 1.431 57.549 56.100 0.030 0.000 0.952 131 R CB -0.261 30.031 30.300 -0.014 0.000 0.850 131 R HN 0.316 nan 8.270 nan 0.000 0.433 132 A N 1.072 123.870 122.820 -0.037 0.000 1.883 132 A HA -0.174 4.146 4.320 0.000 0.000 0.217 132 A C 2.172 179.743 177.584 -0.021 0.000 1.186 132 A CA 1.657 53.664 52.037 -0.050 0.000 0.624 132 A CB -0.605 18.340 19.000 -0.092 0.000 0.822 132 A HN 0.388 nan 8.150 nan 0.000 0.444 133 I N -0.260 120.283 120.570 -0.045 0.000 2.264 133 I HA -0.311 3.860 4.170 0.000 0.000 0.248 133 I C 2.930 179.068 176.117 0.036 0.000 1.111 133 I CA 1.101 62.377 61.300 -0.041 0.000 1.382 133 I CB -0.246 37.684 38.000 -0.118 0.000 1.060 133 I HN 0.378 nan 8.210 nan 0.000 0.418 134 A N 0.405 123.263 122.820 0.064 0.000 1.855 134 A HA -0.153 4.168 4.320 0.000 0.000 0.215 134 A C 2.111 179.801 177.584 0.177 0.000 1.191 134 A CA 1.454 53.571 52.037 0.132 0.000 0.613 134 A CB -0.756 18.358 19.000 0.189 0.000 0.829 134 A HN 0.286 nan 8.150 nan 0.000 0.442 135 L N -0.185 121.129 121.223 0.152 0.000 2.141 135 L HA -0.050 4.290 4.340 0.000 0.000 0.209 135 L C 2.315 179.304 176.870 0.199 0.000 1.094 135 L CA 1.213 56.155 54.840 0.170 0.000 0.763 135 L CB -0.541 41.569 42.059 0.086 0.000 0.908 135 L HN 0.382 nan 8.230 nan 0.000 0.437 136 I N -0.875 119.785 120.570 0.150 0.000 2.286 136 I HA -0.241 3.930 4.170 0.000 0.000 0.248 136 I C 2.504 178.734 176.117 0.188 0.000 1.115 136 I CA 1.346 62.743 61.300 0.162 0.000 1.392 136 I CB -0.932 37.137 38.000 0.115 0.000 1.065 136 I HN 0.348 nan 8.210 nan 0.000 0.418 137 G N 0.039 108.954 108.800 0.192 0.000 2.440 137 G HA2 -0.335 3.626 3.960 0.000 0.000 0.218 137 G HA3 -0.335 3.626 3.960 0.000 0.000 0.218 137 G C 1.633 176.728 174.900 0.324 0.000 1.154 137 G CA 0.770 46.007 45.100 0.228 0.000 0.767 137 G HN 0.343 nan 8.290 nan 0.000 0.552 138 Y N 1.876 122.293 120.300 0.195 0.000 2.263 138 Y HA 0.014 4.564 4.550 0.000 0.000 0.292 138 Y C 3.072 179.171 175.900 0.333 0.000 1.130 138 Y CA 1.061 59.299 58.100 0.231 0.000 1.179 138 Y CB -0.210 38.304 38.460 0.091 0.000 0.998 138 Y HN 0.218 nan 8.280 nan 0.000 0.532 139 S N 0.337 116.171 115.700 0.223 0.000 2.374 139 S HA -0.234 4.236 4.470 0.000 0.000 0.227 139 S C 1.915 176.596 174.600 0.136 0.000 1.037 139 S CA 1.769 60.065 58.200 0.161 0.000 1.024 139 S CB -0.263 63.055 63.200 0.197 0.000 0.861 139 S HN 0.457 nan 8.310 nan 0.000 0.456 140 K N -0.478 120.023 120.400 0.168 0.000 2.147 140 K HA -0.155 4.165 4.320 0.000 0.000 0.205 140 K C 1.857 178.545 176.600 0.147 0.000 1.049 140 K CA 1.302 57.673 56.287 0.141 0.000 0.936 140 K CB -0.192 32.400 32.500 0.153 0.000 0.722 140 K HN 0.490 nan 8.250 nan 0.000 0.446 141 W N 1.732 123.060 121.300 0.047 0.000 2.378 141 W HA -0.140 4.520 4.660 0.000 0.000 0.313 141 W C 1.642 178.180 176.519 0.031 0.000 1.197 141 W CA 1.203 58.589 57.345 0.068 0.000 1.304 141 W CB -0.298 29.270 29.460 0.179 0.000 1.148 141 W HN -0.101 nan 8.180 nan 0.000 0.494 142 L N 0.152 121.515 121.223 0.233 0.000 2.012 142 L HA -0.274 4.066 4.340 0.000 0.000 0.210 142 L C 2.410 179.323 176.870 0.072 0.000 1.073 142 L CA 1.684 56.655 54.840 0.219 0.000 0.748 142 L CB -0.956 41.203 42.059 0.168 0.000 0.891 142 L HN 0.048 nan 8.230 nan 0.000 0.431 143 I N -0.046 120.538 120.570 0.024 0.000 2.163 143 I HA -0.319 3.851 4.170 0.000 0.000 0.243 143 I C 1.960 178.004 176.117 -0.122 0.000 1.085 143 I CA 1.284 62.563 61.300 -0.035 0.000 1.347 143 I CB -0.414 37.578 38.000 -0.013 0.000 1.044 143 I HN 0.340 nan 8.210 nan 0.000 0.408 144 N N 0.979 119.585 118.700 -0.157 0.000 2.609 144 N HA -0.086 4.655 4.740 0.000 0.000 0.190 144 N C 0.642 175.939 175.510 -0.354 0.000 1.157 144 N CA 0.777 53.694 53.050 -0.222 0.000 0.918 144 N CB -0.269 38.104 38.487 -0.191 0.000 0.978 144 N HN 0.483 nan 8.380 nan 0.000 0.448 145 N N 0.438 118.871 118.700 -0.446 0.000 2.238 145 N HA 0.011 4.751 4.740 0.000 0.000 0.235 145 N C -0.445 174.686 175.510 -0.630 0.000 1.209 145 N CA -0.053 52.677 53.050 -0.532 0.000 0.879 145 N CB 0.548 38.529 38.487 -0.844 0.000 1.136 145 N HN 0.007 nan 8.380 nan 0.000 0.517 146 N N 0.276 118.681 118.700 -0.491 0.000 2.862 146 N HA -0.207 4.534 4.740 0.000 0.000 0.248 146 N C -1.169 173.965 175.510 -0.627 0.000 1.116 146 N CA 0.531 53.276 53.050 -0.507 0.000 0.727 146 N CB -1.824 36.373 38.487 -0.483 0.000 1.083 146 N HN 0.293 nan 8.380 nan 0.000 0.555 147 Y N -0.220 120.050 120.300 -0.051 0.000 2.696 147 Y HA 0.332 4.882 4.550 0.000 0.000 0.260 147 Y C 1.827 177.735 175.900 0.013 0.000 1.165 147 Y CA 0.034 58.142 58.100 0.014 0.000 1.189 147 Y CB 0.027 38.542 38.460 0.091 0.000 1.180 147 Y HN 0.288 nan 8.280 nan 0.000 0.538 148 Q N 0.444 120.277 119.800 0.055 0.000 2.173 148 Q HA -0.262 4.078 4.340 0.000 0.000 0.208 148 Q C 2.423 178.448 176.000 0.042 0.000 0.989 148 Q CA 2.086 57.909 55.803 0.033 0.000 0.872 148 Q CB -0.010 28.713 28.738 -0.025 0.000 0.909 148 Q HN 0.431 nan 8.270 nan 0.000 0.420 149 S N -0.991 114.734 115.700 0.043 0.000 2.387 149 S HA -0.179 4.291 4.470 0.000 0.000 0.230 149 S C 1.785 176.414 174.600 0.048 0.000 1.035 149 S CA 1.851 60.074 58.200 0.037 0.000 1.014 149 S CB -0.423 62.801 63.200 0.039 0.000 0.836 149 S HN 0.609 nan 8.310 nan 0.000 0.466 150 T N 1.559 116.166 114.554 0.089 0.000 2.857 150 T HA -0.010 4.340 4.350 0.000 0.000 0.266 150 T C 1.849 176.561 174.700 0.020 0.000 1.048 150 T CA 1.298 63.421 62.100 0.037 0.000 1.139 150 T CB -0.435 68.494 68.868 0.101 0.000 0.874 150 T HN 0.292 nan 8.240 nan 0.000 0.455 151 V N 1.837 121.809 119.914 0.097 0.000 2.252 151 V HA -0.215 3.905 4.120 0.000 0.000 0.249 151 V C 2.690 178.865 176.094 0.135 0.000 1.056 151 V CA 2.124 64.501 62.300 0.129 0.000 1.022 151 V CB -0.968 30.932 31.823 0.128 0.000 0.641 151 V HN 0.444 nan 8.190 nan 0.000 0.445 152 S N 0.242 115.992 115.700 0.083 0.000 2.382 152 S HA -0.208 4.262 4.470 0.000 0.000 0.228 152 S C 1.895 176.559 174.600 0.107 0.000 1.027 152 S CA 1.788 60.041 58.200 0.088 0.000 0.991 152 S CB -0.512 62.689 63.200 0.000 0.000 0.823 152 S HN 0.711 nan 8.310 nan 0.000 0.469 153 N N 1.078 119.802 118.700 0.041 0.000 2.148 153 N HA -0.036 4.704 4.740 0.000 0.000 0.186 153 N C 1.445 176.935 175.510 -0.033 0.000 1.031 153 N CA 1.538 54.590 53.050 0.002 0.000 0.848 153 N CB -0.236 38.233 38.487 -0.031 0.000 1.005 153 N HN 0.213 nan 8.380 nan 0.000 0.427 154 V N 0.201 120.053 119.914 -0.105 0.000 2.521 154 V HA 0.130 4.250 4.120 0.000 0.000 0.239 154 V C 2.199 178.244 176.094 -0.081 0.000 1.053 154 V CA 0.810 62.991 62.300 -0.198 0.000 1.073 154 V CB -0.308 31.170 31.823 -0.576 0.000 0.746 154 V HN 0.217 nan 8.190 nan 0.000 0.476 155 I N -0.641 119.932 120.570 0.006 0.000 2.235 155 I HA -0.187 3.983 4.170 0.000 0.000 0.241 155 I C 2.456 178.648 176.117 0.125 0.000 1.085 155 I CA 1.578 62.941 61.300 0.104 0.000 1.378 155 I CB -0.396 37.730 38.000 0.210 0.000 1.076 155 I HN 0.488 nan 8.210 nan 0.000 0.415 156 W N 3.755 125.062 121.300 0.011 0.000 2.304 156 W HA -0.194 4.467 4.660 0.000 0.000 0.315 156 W C -0.912 175.616 176.519 0.015 0.000 1.233 156 W CA 1.990 59.346 57.345 0.018 0.000 1.261 156 W CB -1.517 27.956 29.460 0.022 0.000 1.150 156 W HN 0.072 nan 8.180 nan 0.000 0.494 157 P HA -0.190 nan 4.420 nan 0.000 0.219 157 P C 1.557 178.729 177.300 -0.213 0.000 1.146 157 P CA 2.116 65.108 63.100 -0.180 0.000 0.808 157 P CB -0.322 31.355 31.700 -0.038 0.000 0.779 158 I N -1.542 118.930 120.570 -0.163 0.000 2.162 158 I HA -0.174 3.996 4.170 0.000 0.000 0.238 158 I C 2.230 178.225 176.117 -0.204 0.000 1.076 158 I CA 1.134 62.344 61.300 -0.149 0.000 1.353 158 I CB -1.178 36.752 38.000 -0.116 0.000 1.063 158 I HN -0.219 nan 8.210 nan 0.000 0.408 159 V N 1.180 120.950 119.914 -0.240 0.000 2.282 159 V HA -0.334 3.786 4.120 0.000 0.000 0.249 159 V C 2.695 178.498 176.094 -0.486 0.000 1.057 159 V CA 2.238 64.361 62.300 -0.295 0.000 1.032 159 V CB -0.911 30.794 31.823 -0.198 0.000 0.645 159 V HN 0.424 nan 8.190 nan 0.000 0.447 160 R N 0.113 120.124 120.500 -0.816 0.000 2.091 160 R HA -0.202 4.138 4.340 0.000 0.000 0.238 160 R C 2.244 178.373 176.300 -0.285 0.000 1.136 160 R CA 1.959 57.607 56.100 -0.754 0.000 0.959 160 R CB -0.287 29.439 30.300 -0.956 0.000 0.856 160 R HN 0.529 nan 8.270 nan 0.000 0.437 161 N N 0.896 119.493 118.700 -0.172 0.000 2.120 161 N HA -0.156 4.584 4.740 0.000 0.000 0.188 161 N C 1.185 176.804 175.510 0.182 0.000 1.024 161 N CA 1.558 54.654 53.050 0.077 0.000 0.852 161 N CB -0.399 38.145 38.487 0.096 0.000 1.003 161 N HN 0.281 nan 8.380 nan 0.000 0.424 162 D N 0.473 120.890 120.400 0.028 0.000 2.117 162 D HA -0.027 4.613 4.640 0.000 0.000 0.198 162 D C 2.174 178.530 176.300 0.094 0.000 0.982 162 D CA 0.405 54.438 54.000 0.055 0.000 0.828 162 D CB -0.182 40.588 40.800 -0.050 0.000 0.967 162 D HN 0.225 nan 8.370 nan 0.000 0.464 163 L N 0.727 121.904 121.223 -0.077 0.000 2.046 163 L HA -0.149 4.191 4.340 0.000 0.000 0.208 163 L C 2.042 178.977 176.870 0.109 0.000 1.077 163 L CA 1.015 55.743 54.840 -0.187 0.000 0.747 163 L CB -0.456 41.160 42.059 -0.739 0.000 0.896 163 L HN 0.047 nan 8.230 nan 0.000 0.432 164 N N -0.980 117.842 118.700 0.204 0.000 2.120 164 N HA -0.261 4.479 4.740 0.000 0.000 0.188 164 N C 1.909 177.668 175.510 0.416 0.000 1.024 164 N CA 1.184 54.384 53.050 0.250 0.000 0.852 164 N CB -0.201 38.219 38.487 -0.110 0.000 1.003 164 N HN 0.239 nan 8.380 nan 0.000 0.424 165 Y N 2.111 122.686 120.300 0.458 0.000 2.097 165 Y HA -0.265 4.285 4.550 0.000 0.000 0.282 165 Y C 2.245 178.408 175.900 0.438 0.000 1.152 165 Y CA 1.345 59.755 58.100 0.516 0.000 1.136 165 Y CB -0.464 38.169 38.460 0.289 0.000 0.975 165 Y HN -0.189 nan 8.280 nan 0.000 0.498 166 V N 0.371 120.544 119.914 0.432 0.000 2.295 166 V HA -0.354 3.766 4.120 0.000 0.000 0.246 166 V C 2.656 178.943 176.094 0.321 0.000 1.049 166 V CA 1.963 64.461 62.300 0.330 0.000 1.024 166 V CB -1.625 30.328 31.823 0.217 0.000 0.648 166 V HN 0.581 nan 8.190 nan 0.000 0.447 167 A N -1.055 121.940 122.820 0.293 0.000 2.019 167 A HA -0.290 4.031 4.320 0.000 0.000 0.219 167 A C 2.234 179.979 177.584 0.269 0.000 1.164 167 A CA 2.147 54.367 52.037 0.306 0.000 0.644 167 A CB -0.412 18.770 19.000 0.303 0.000 0.805 167 A HN 0.645 nan 8.150 nan 0.000 0.449 168 Q N -2.396 117.480 119.800 0.127 0.000 2.165 168 Q HA -0.026 4.314 4.340 0.000 0.000 0.197 168 Q C 0.921 176.695 176.000 -0.377 0.000 0.952 168 Q CA 1.025 56.734 55.803 -0.157 0.000 0.848 168 Q CB 0.047 28.613 28.738 -0.286 0.000 0.931 168 Q HN 0.731 nan 8.270 nan 0.000 0.470 169 Y N -0.591 119.595 120.300 -0.189 0.000 2.481 169 Y HA 0.031 4.581 4.550 0.000 0.000 0.247 169 Y C 1.449 177.242 175.900 -0.179 0.000 1.151 169 Y CA -0.613 57.296 58.100 -0.318 0.000 1.238 169 Y CB 0.096 38.123 38.460 -0.721 0.000 1.179 169 Y HN 0.369 nan 8.280 nan 0.000 0.524 170 W N 0.610 121.919 121.300 0.015 0.000 2.350 170 W HA -0.184 4.476 4.660 0.000 0.000 0.289 170 W C 0.661 177.198 176.519 0.030 0.000 1.215 170 W CA 1.283 58.664 57.345 0.061 0.000 1.236 170 W CB -0.746 28.759 29.460 0.076 0.000 1.130 170 W HN 0.165 nan 8.180 nan 0.000 0.541 171 N N 1.148 119.162 118.700 -1.143 0.000 2.346 171 N HA 0.009 4.749 4.740 0.000 0.000 0.225 171 N C -0.508 174.637 175.510 -0.608 0.000 1.144 171 N CA 0.105 52.359 53.050 -1.326 0.000 0.837 171 N CB 0.060 37.436 38.487 -1.852 0.000 1.069 171 N HN 0.339 nan 8.380 nan 0.000 0.487 172 Q N 0.282 119.895 119.800 -0.310 0.000 2.377 172 Q HA 0.215 4.555 4.340 0.000 0.000 0.271 172 Q C -0.224 175.749 176.000 -0.044 0.000 1.077 172 Q CA -0.845 54.870 55.803 -0.147 0.000 0.820 172 Q CB 1.970 30.676 28.738 -0.053 0.000 1.347 172 Q HN 0.215 nan 8.270 nan 0.000 0.444 173 T N -1.235 113.296 114.554 -0.039 0.000 2.856 173 T HA 0.619 4.969 4.350 0.000 0.000 0.306 173 T C 0.439 175.147 174.700 0.012 0.000 1.062 173 T CA 0.038 62.131 62.100 -0.011 0.000 1.083 173 T CB 0.942 69.776 68.868 -0.056 0.000 0.984 173 T HN 0.757 nan 8.240 nan 0.000 0.542 174 G N 0.068 108.866 108.800 -0.003 0.000 2.548 174 G HA2 0.517 4.477 3.960 0.000 0.000 0.301 174 G HA3 0.517 4.477 3.960 0.000 0.000 0.301 174 G C -1.576 173.286 174.900 -0.063 0.000 1.349 174 G CA -1.173 43.950 45.100 0.040 0.000 0.792 174 G HN 0.593 nan 8.290 nan 0.000 0.481 175 F N 1.772 121.758 119.950 0.060 0.000 2.389 175 F HA 0.323 4.850 4.527 0.000 0.000 0.337 175 F C 1.317 177.143 175.800 0.044 0.000 1.112 175 F CA -0.245 57.776 58.000 0.036 0.000 1.192 175 F CB 1.045 40.049 39.000 0.007 0.000 1.185 175 F HN 0.525 nan 8.300 nan 0.000 0.552 176 D N 2.503 123.003 120.400 0.166 0.000 2.414 176 D HA 0.009 4.649 4.640 0.000 0.000 0.251 176 D C 1.332 177.627 176.300 -0.008 0.000 1.252 176 D CA -0.362 53.669 54.000 0.052 0.000 0.999 176 D CB 0.486 41.274 40.800 -0.020 0.000 1.093 176 D HN 0.661 nan 8.370 nan 0.000 0.515 177 L N -2.670 118.403 121.223 -0.250 0.000 2.362 177 L HA 0.074 4.414 4.340 0.000 0.000 0.219 177 L C 1.471 178.152 176.870 -0.315 0.000 1.134 177 L CA 0.383 54.990 54.840 -0.388 0.000 0.807 177 L CB -0.674 40.881 42.059 -0.840 0.000 0.927 177 L HN 0.360 nan 8.230 nan 0.000 0.447 178 W N 0.984 122.280 121.300 -0.006 0.000 3.256 178 W HA 0.203 4.863 4.660 0.000 0.000 0.269 178 W C 0.412 176.907 176.519 -0.041 0.000 1.310 178 W CA -0.380 56.943 57.345 -0.037 0.000 1.673 178 W CB 0.007 29.443 29.460 -0.039 0.000 1.115 178 W HN 0.243 nan 8.180 nan 0.000 0.686 179 E N -0.312 119.986 120.200 0.163 0.000 2.868 179 E HA -0.277 4.073 4.350 0.000 0.000 0.278 179 E C 0.350 176.946 176.600 -0.007 0.000 1.009 179 E CA 1.017 57.433 56.400 0.027 0.000 0.856 179 E CB -1.719 27.919 29.700 -0.104 0.000 1.428 179 E HN 0.573 nan 8.360 nan 0.000 0.423 180 E N -0.573 119.765 120.200 0.230 0.000 2.475 180 E HA 0.113 4.463 4.350 0.000 0.000 0.205 180 E C -0.068 176.705 176.600 0.289 0.000 0.822 180 E CA 0.298 56.821 56.400 0.204 0.000 1.240 180 E CB 1.129 30.903 29.700 0.124 0.000 1.222 180 E HN -0.001 nan 8.360 nan 0.000 0.581 181 V N 2.955 122.973 119.914 0.173 0.000 2.347 181 V HA 0.233 4.353 4.120 0.000 0.000 0.280 181 V C -0.481 175.422 176.094 -0.317 0.000 1.021 181 V CA -0.880 61.393 62.300 -0.044 0.000 0.847 181 V CB 1.153 32.947 31.823 -0.048 0.000 0.990 181 V HN 0.138 nan 8.190 nan 0.000 0.444 182 N N 4.088 122.409 118.700 -0.633 0.000 2.406 182 N HA 0.634 5.374 4.740 0.000 0.000 0.251 182 N C 0.218 175.512 175.510 -0.360 0.000 1.069 182 N CA 0.980 53.496 53.050 -0.890 0.000 0.947 182 N CB 1.305 39.146 38.487 -1.077 0.000 1.111 182 N HN 0.920 nan 8.380 nan 0.000 0.497 183 G N 0.972 109.641 108.800 -0.219 0.000 2.539 183 G HA2 0.197 4.157 3.960 0.000 0.000 0.138 183 G HA3 0.197 4.157 3.960 0.000 0.000 0.138 183 G C -1.653 173.276 174.900 0.048 0.000 1.148 183 G CA -0.452 44.606 45.100 -0.069 0.000 1.057 183 G HN 0.365 nan 8.290 nan 0.000 0.511 184 S N 0.020 115.812 115.700 0.154 0.000 2.478 184 S HA 0.741 5.211 4.470 0.000 0.000 0.312 184 S C -0.488 174.405 174.600 0.487 0.000 1.094 184 S CA -0.295 58.121 58.200 0.360 0.000 1.081 184 S CB 1.505 65.014 63.200 0.515 0.000 1.007 184 S HN 0.727 nan 8.310 nan 0.000 0.475 185 S N 1.868 117.831 115.700 0.438 0.000 2.482 185 S HA 0.505 4.975 4.470 0.000 0.000 0.303 185 S C 0.595 175.223 174.600 0.045 0.000 1.091 185 S CA -0.711 57.675 58.200 0.310 0.000 1.057 185 S CB 0.414 63.715 63.200 0.167 0.000 1.031 185 S HN 0.623 nan 8.310 nan 0.000 0.485 186 F N 4.644 124.344 119.950 -0.417 0.000 2.043 186 F HA -0.109 4.418 4.527 0.001 0.000 0.297 186 F C 1.639 177.201 175.800 -0.398 0.000 1.121 186 F CA 2.020 59.475 58.000 -0.909 0.000 1.199 186 F CB -0.568 38.041 39.000 -0.653 0.000 0.968 186 F HN 0.823 nan 8.300 nan 0.000 0.478 187 F N 0.912 120.726 119.950 -0.227 0.000 2.087 187 F HA -0.298 4.229 4.527 0.000 0.000 0.299 187 F C 2.383 178.055 175.800 -0.215 0.000 1.100 187 F CA 2.504 60.376 58.000 -0.214 0.000 1.226 187 F CB -1.014 37.910 39.000 -0.127 0.000 0.983 187 F HN -0.016 nan 8.300 nan 0.000 0.479 188 T N -0.067 114.495 114.554 0.013 0.000 2.674 188 T HA -0.168 4.182 4.350 0.000 0.000 0.265 188 T C 2.150 176.807 174.700 -0.071 0.000 1.039 188 T CA 1.741 63.842 62.100 0.001 0.000 1.150 188 T CB -0.782 68.174 68.868 0.147 0.000 0.864 188 T HN 0.135 nan 8.240 nan 0.000 0.427 189 V N 1.823 121.695 119.914 -0.069 0.000 2.295 189 V HA -0.175 3.945 4.120 0.000 0.000 0.246 189 V C 2.925 178.905 176.094 -0.189 0.000 1.049 189 V CA 1.753 64.045 62.300 -0.013 0.000 1.024 189 V CB -1.283 30.580 31.823 0.065 0.000 0.648 189 V HN 0.542 nan 8.190 nan 0.000 0.447 190 A N 0.253 122.811 122.820 -0.436 0.000 1.902 190 A HA -0.232 4.088 4.320 0.000 0.000 0.217 190 A C 2.093 179.475 177.584 -0.337 0.000 1.181 190 A CA 2.047 53.827 52.037 -0.428 0.000 0.623 190 A CB -0.644 17.958 19.000 -0.663 0.000 0.818 190 A HN 0.603 nan 8.150 nan 0.000 0.443 191 N N -0.459 117.977 118.700 -0.440 0.000 2.270 191 N HA -0.124 4.616 4.740 0.000 0.000 0.181 191 N C 1.907 177.236 175.510 -0.303 0.000 1.016 191 N CA 1.248 54.027 53.050 -0.453 0.000 0.870 191 N CB -0.305 37.816 38.487 -0.609 0.000 0.979 191 N HN 0.655 nan 8.380 nan 0.000 0.431 192 Q N -0.065 119.626 119.800 -0.181 0.000 2.096 192 Q HA -0.174 4.166 4.340 0.000 0.000 0.204 192 Q C 2.047 177.984 176.000 -0.105 0.000 0.982 192 Q CA 1.204 56.962 55.803 -0.074 0.000 0.850 192 Q CB -0.259 28.512 28.738 0.057 0.000 0.901 192 Q HN 0.568 nan 8.270 nan 0.000 0.422 193 H N 0.872 119.822 119.070 -0.201 0.000 2.290 193 H HA -0.148 4.408 4.556 0.000 0.000 0.298 193 H C 2.263 177.486 175.328 -0.175 0.000 1.087 193 H CA 1.811 57.754 56.048 -0.175 0.000 1.291 193 H CB 0.092 29.771 29.762 -0.139 0.000 1.369 193 H HN 0.111 nan 8.280 nan 0.000 0.492 194 R N 0.569 120.744 120.500 -0.542 0.000 2.096 194 R HA -0.158 4.182 4.340 0.000 0.000 0.240 194 R C 2.544 178.530 176.300 -0.523 0.000 1.139 194 R CA 1.666 57.215 56.100 -0.919 0.000 0.952 194 R CB -0.461 29.108 30.300 -1.219 0.000 0.854 194 R HN 0.376 nan 8.270 nan 0.000 0.436 195 A N 1.093 123.694 122.820 -0.365 0.000 1.908 195 A HA -0.155 4.166 4.320 0.000 0.000 0.218 195 A C 2.263 179.736 177.584 -0.185 0.000 1.181 195 A CA 1.497 53.396 52.037 -0.231 0.000 0.627 195 A CB -0.591 18.304 19.000 -0.175 0.000 0.818 195 A HN 0.383 nan 8.150 nan 0.000 0.445 196 L N -0.717 120.405 121.223 -0.170 0.000 2.046 196 L HA -0.157 4.183 4.340 0.000 0.000 0.208 196 L C 2.560 179.408 176.870 -0.037 0.000 1.077 196 L CA 1.067 55.849 54.840 -0.098 0.000 0.747 196 L CB -0.676 41.361 42.059 -0.036 0.000 0.896 196 L HN 0.252 nan 8.230 nan 0.000 0.432 197 V N -0.056 119.809 119.914 -0.081 0.000 2.255 197 V HA -0.303 3.818 4.120 0.000 0.000 0.247 197 V C 2.447 178.592 176.094 0.085 0.000 1.051 197 V CA 1.932 64.248 62.300 0.026 0.000 1.018 197 V CB -0.474 31.410 31.823 0.101 0.000 0.641 197 V HN 0.453 nan 8.190 nan 0.000 0.445 198 E N 0.016 120.261 120.200 0.076 0.000 2.110 198 E HA -0.167 4.183 4.350 0.000 0.000 0.193 198 E C 2.278 178.921 176.600 0.072 0.000 0.988 198 E CA 1.261 57.717 56.400 0.093 0.000 0.804 198 E CB -0.427 29.310 29.700 0.062 0.000 0.745 198 E HN 0.666 nan 8.360 nan 0.000 0.458 199 G N 0.957 109.759 108.800 0.004 0.000 2.422 199 G HA2 -0.176 3.784 3.960 0.000 0.000 0.218 199 G HA3 -0.176 3.784 3.960 0.000 0.000 0.218 199 G C 1.652 176.644 174.900 0.153 0.000 1.140 199 G CA 0.744 45.837 45.100 -0.012 0.000 0.775 199 G HN 0.323 nan 8.290 nan 0.000 0.545 200 A N 0.472 123.407 122.820 0.191 0.000 1.898 200 A HA 0.028 4.348 4.320 0.000 0.000 0.216 200 A C 2.529 180.216 177.584 0.173 0.000 1.181 200 A CA 2.321 54.531 52.037 0.288 0.000 0.620 200 A CB -0.844 18.294 19.000 0.229 0.000 0.819 200 A HN 0.273 nan 8.150 nan 0.000 0.442 201 T N 0.219 114.847 114.554 0.122 0.000 2.708 201 T HA -0.147 4.204 4.350 0.000 0.000 0.266 201 T C 1.834 176.573 174.700 0.066 0.000 1.037 201 T CA 1.555 63.703 62.100 0.081 0.000 1.146 201 T CB -0.394 68.520 68.868 0.076 0.000 0.865 201 T HN 0.267 nan 8.240 nan 0.000 0.435 202 L N 1.408 122.691 121.223 0.100 0.000 2.046 202 L HA 0.039 4.379 4.340 0.000 0.000 0.208 202 L C 2.648 179.474 176.870 -0.074 0.000 1.077 202 L CA 1.815 56.700 54.840 0.074 0.000 0.747 202 L CB -1.164 41.017 42.059 0.202 0.000 0.896 202 L HN 0.246 nan 8.230 nan 0.000 0.432 203 A N -0.428 122.384 122.820 -0.013 0.000 1.859 203 A HA -0.238 4.082 4.320 0.000 0.000 0.217 203 A C 2.463 179.932 177.584 -0.191 0.000 1.198 203 A CA 2.372 54.279 52.037 -0.217 0.000 0.629 203 A CB -1.380 17.750 19.000 0.217 0.000 0.830 203 A HN 0.563 nan 8.150 nan 0.000 0.446 204 A N -1.392 121.395 122.820 -0.056 0.000 1.978 204 A HA -0.096 4.225 4.320 0.000 0.000 0.220 204 A C 2.263 179.798 177.584 -0.082 0.000 1.170 204 A CA 2.341 54.345 52.037 -0.055 0.000 0.636 204 A CB -1.238 17.756 19.000 -0.010 0.000 0.810 204 A HN 0.474 nan 8.150 nan 0.000 0.448 205 T N 0.196 114.699 114.554 -0.085 0.000 2.821 205 T HA -0.005 4.345 4.350 0.000 0.000 0.267 205 T C 1.583 176.205 174.700 -0.130 0.000 1.046 205 T CA 1.266 63.316 62.100 -0.085 0.000 1.139 205 T CB -0.261 68.575 68.868 -0.053 0.000 0.871 205 T HN 0.389 nan 8.240 nan 0.000 0.454 206 L N 0.204 121.295 121.223 -0.219 0.000 2.492 206 L HA 0.240 4.580 4.340 0.000 0.000 0.223 206 L C 1.894 178.620 176.870 -0.240 0.000 1.132 206 L CA 0.422 55.094 54.840 -0.279 0.000 0.850 206 L CB -0.394 41.352 42.059 -0.522 0.000 0.966 206 L HN 0.490 nan 8.230 nan 0.000 0.454 207 G N -0.342 108.342 108.800 -0.194 0.000 2.136 207 G HA2 -0.204 3.756 3.960 0.000 0.000 0.242 207 G HA3 -0.204 3.756 3.960 0.000 0.000 0.242 207 G C 0.155 174.966 174.900 -0.148 0.000 0.989 207 G CA -0.202 44.814 45.100 -0.140 0.000 0.682 207 G HN 0.282 nan 8.290 nan 0.000 0.522 208 Q N 0.014 119.684 119.800 -0.216 0.000 2.193 208 Q HA 0.597 4.937 4.340 0.000 0.000 0.246 208 Q C 0.428 176.394 176.000 -0.057 0.000 0.959 208 Q CA -0.275 55.437 55.803 -0.152 0.000 0.904 208 Q CB 1.463 30.038 28.738 -0.272 0.000 1.238 208 Q HN 0.308 nan 8.270 nan 0.000 0.469 209 S N -0.391 115.309 115.700 0.001 0.000 2.488 209 S HA 0.294 4.764 4.470 0.000 0.000 0.278 209 S C 0.804 175.419 174.600 0.025 0.000 1.259 209 S CA 0.073 58.272 58.200 -0.003 0.000 1.061 209 S CB -0.050 63.133 63.200 -0.027 0.000 0.910 209 S HN 0.681 nan 8.310 nan 0.000 0.491 210 G N 3.205 112.030 108.800 0.041 0.000 3.233 210 G HA2 0.038 3.998 3.960 0.000 0.000 0.234 210 G HA3 0.038 3.998 3.960 0.000 0.000 0.234 210 G C 1.319 176.209 174.900 -0.017 0.000 1.137 210 G CA 0.286 45.456 45.100 0.117 0.000 0.763 210 G HN 0.714 nan 8.290 nan 0.000 0.549 211 S N 0.935 116.589 115.700 -0.077 0.000 2.370 211 S HA -0.108 4.362 4.470 0.000 0.000 0.226 211 S C 2.750 177.281 174.600 -0.114 0.000 1.033 211 S CA 1.879 60.037 58.200 -0.070 0.000 1.011 211 S CB -0.255 62.909 63.200 -0.061 0.000 0.852 211 S HN 0.513 nan 8.310 nan 0.000 0.457 212 A N 0.056 122.716 122.820 -0.266 0.000 1.902 212 A HA -0.015 4.306 4.320 0.000 0.000 0.217 212 A C 1.928 179.429 177.584 -0.139 0.000 1.181 212 A CA 1.672 53.551 52.037 -0.263 0.000 0.623 212 A CB -0.950 17.805 19.000 -0.409 0.000 0.818 212 A HN 0.703 nan 8.150 nan 0.000 0.443 213 Y N 0.614 120.944 120.300 0.051 0.000 2.220 213 Y HA -0.052 4.498 4.550 0.000 0.000 0.291 213 Y C 2.877 178.793 175.900 0.028 0.000 1.129 213 Y CA 0.817 58.942 58.100 0.042 0.000 1.161 213 Y CB -0.931 37.567 38.460 0.064 0.000 0.997 213 Y HN 0.248 nan 8.280 nan 0.000 0.522 214 S N -0.312 115.482 115.700 0.157 0.000 2.406 214 S HA -0.166 4.304 4.470 0.000 0.000 0.228 214 S C 2.201 176.840 174.600 0.066 0.000 1.020 214 S CA 1.155 59.416 58.200 0.100 0.000 0.965 214 S CB -0.616 62.630 63.200 0.077 0.000 0.798 214 S HN 0.613 nan 8.310 nan 0.000 0.488 215 S N 1.315 117.042 115.700 0.045 0.000 2.406 215 S HA 0.011 4.481 4.470 0.000 0.000 0.228 215 S C 1.771 176.397 174.600 0.043 0.000 1.020 215 S CA 0.790 59.011 58.200 0.037 0.000 0.965 215 S CB -0.468 62.745 63.200 0.021 0.000 0.798 215 S HN 0.290 nan 8.310 nan 0.000 0.488 216 V N 2.032 121.974 119.914 0.047 0.000 2.599 216 V HA 0.136 4.257 4.120 0.000 0.000 0.245 216 V C 3.105 179.149 176.094 -0.083 0.000 1.046 216 V CA 1.002 63.308 62.300 0.009 0.000 1.065 216 V CB -1.267 30.584 31.823 0.045 0.000 0.703 216 V HN 0.620 nan 8.190 nan 0.000 0.464 217 A N 1.178 123.995 122.820 -0.006 0.000 1.896 217 A HA -0.218 4.102 4.320 0.000 0.000 0.220 217 A C 0.432 178.071 177.584 0.092 0.000 1.206 217 A CA 2.650 54.722 52.037 0.058 0.000 0.647 217 A CB -2.062 17.001 19.000 0.105 0.000 0.828 217 A HN 0.544 nan 8.150 nan 0.000 0.455 218 P HA -0.099 nan 4.420 nan 0.000 0.223 218 P C 1.295 178.575 177.300 -0.035 0.000 1.151 218 P CA 0.925 64.042 63.100 0.028 0.000 0.787 218 P CB -0.007 31.719 31.700 0.044 0.000 0.788 219 Q N -0.671 119.092 119.800 -0.062 0.000 2.172 219 Q HA -0.038 4.302 4.340 0.000 0.000 0.200 219 Q C 2.145 178.007 176.000 -0.229 0.000 0.964 219 Q CA 1.079 56.852 55.803 -0.050 0.000 0.855 219 Q CB -1.175 27.596 28.738 0.056 0.000 0.918 219 Q HN 0.189 nan 8.270 nan 0.000 0.444 220 V N 1.277 120.850 119.914 -0.569 0.000 2.307 220 V HA -0.227 3.894 4.120 0.000 0.000 0.245 220 V C 2.324 178.287 176.094 -0.219 0.000 1.045 220 V CA 1.406 63.300 62.300 -0.678 0.000 1.024 220 V CB -0.703 30.734 31.823 -0.645 0.000 0.651 220 V HN 0.213 nan 8.190 nan 0.000 0.449 221 L N -0.104 120.937 121.223 -0.304 0.000 2.046 221 L HA -0.171 4.169 4.340 0.000 0.000 0.208 221 L C 2.446 179.248 176.870 -0.113 0.000 1.077 221 L CA 2.098 56.700 54.840 -0.396 0.000 0.747 221 L CB -0.941 40.730 42.059 -0.646 0.000 0.896 221 L HN 0.437 nan 8.230 nan 0.000 0.432 222 c N -0.840 117.747 118.600 -0.021 0.000 2.413 222 c HA -0.244 4.326 4.570 0.000 0.000 0.277 222 c C 2.733 176.945 174.090 0.204 0.000 1.228 222 c CA 1.099 57.480 56.329 0.087 0.000 1.731 222 c CB -1.302 41.273 42.510 0.109 0.000 2.042 222 c HN 0.694 nan 8.230 nan 0.000 0.468 223 F N 0.941 120.970 119.950 0.131 0.000 2.171 223 F HA -0.042 4.485 4.527 0.000 0.000 0.300 223 F C 1.857 177.859 175.800 0.338 0.000 1.090 223 F CA 1.544 59.695 58.000 0.253 0.000 1.293 223 F CB -0.849 38.419 39.000 0.447 0.000 1.013 223 F HN 0.209 nan 8.300 nan 0.000 0.486 224 L N 0.644 121.941 121.223 0.123 0.000 2.189 224 L HA -0.234 4.106 4.340 0.000 0.000 0.214 224 L C 2.196 179.210 176.870 0.240 0.000 1.097 224 L CA 1.652 56.547 54.840 0.091 0.000 0.764 224 L CB -0.808 41.180 42.059 -0.118 0.000 0.900 224 L HN 0.162 nan 8.230 nan 0.000 0.436 225 Q N -0.472 119.419 119.800 0.151 0.000 2.364 225 Q HA -0.098 4.242 4.340 0.000 0.000 0.207 225 Q C 2.020 178.126 176.000 0.177 0.000 0.970 225 Q CA 0.793 56.695 55.803 0.164 0.000 0.888 225 Q CB -0.407 28.397 28.738 0.110 0.000 0.951 225 Q HN 0.506 nan 8.270 nan 0.000 0.469 226 R N -0.382 120.162 120.500 0.073 0.000 2.276 226 R HA 0.033 4.373 4.340 0.000 0.000 0.203 226 R C 1.639 177.849 176.300 -0.149 0.000 1.017 226 R CA 0.343 56.402 56.100 -0.069 0.000 1.010 226 R CB -0.296 29.875 30.300 -0.215 0.000 0.900 226 R HN 0.287 nan 8.270 nan 0.000 0.469 227 F N -0.615 119.295 119.950 -0.066 0.000 2.456 227 F HA -0.002 4.525 4.527 0.000 0.000 0.298 227 F C 1.387 177.126 175.800 -0.100 0.000 1.104 227 F CA -0.214 57.735 58.000 -0.085 0.000 1.435 227 F CB -0.120 38.873 39.000 -0.011 0.000 1.078 227 F HN 0.081 nan 8.300 nan 0.000 0.546 228 W N 2.454 123.736 121.300 -0.031 0.000 2.308 228 W HA 0.321 4.981 4.660 0.000 0.000 0.324 228 W C -1.011 175.403 176.519 -0.175 0.000 1.387 228 W CA -0.287 56.996 57.345 -0.104 0.000 1.250 228 W CB 0.737 30.195 29.460 -0.003 0.000 1.257 228 W HN -0.493 nan 8.180 nan 0.000 0.554 229 V N 7.774 127.079 119.914 -1.016 0.000 2.288 229 V HA -0.076 4.045 4.120 0.000 0.000 0.266 229 V C 1.240 176.626 176.094 -1.181 0.000 1.048 229 V CA 0.237 61.958 62.300 -0.965 0.000 0.842 229 V CB 0.587 31.733 31.823 -1.130 0.000 1.064 229 V HN 0.740 nan 8.190 nan 0.000 0.472 230 S N 3.245 118.500 115.700 -0.742 0.000 2.382 230 S HA -0.184 4.287 4.470 0.000 0.000 0.228 230 S C 2.075 176.547 174.600 -0.214 0.000 1.027 230 S CA 1.395 59.373 58.200 -0.370 0.000 0.991 230 S CB -0.409 62.815 63.200 0.040 0.000 0.823 230 S HN 0.859 nan 8.310 nan 0.000 0.469 231 S N 1.318 116.902 115.700 -0.194 0.000 2.442 231 S HA 0.130 4.600 4.470 0.000 0.000 0.236 231 S C 1.742 176.298 174.600 -0.072 0.000 1.007 231 S CA 0.785 58.929 58.200 -0.094 0.000 0.965 231 S CB -0.823 62.335 63.200 -0.069 0.000 0.773 231 S HN 0.709 nan 8.310 nan 0.000 0.504 232 G N -0.210 108.507 108.800 -0.139 0.000 3.062 232 G HA2 0.466 4.427 3.960 0.000 0.000 0.228 232 G HA3 0.466 4.427 3.960 0.000 0.000 0.228 232 G C 0.870 175.795 174.900 0.040 0.000 1.094 232 G CA 0.017 45.140 45.100 0.038 0.000 0.782 232 G HN 1.274 nan 8.290 nan 0.000 0.541 233 G N -0.062 108.587 108.800 -0.253 0.000 2.295 233 G HA2 -0.128 3.832 3.960 0.000 0.000 0.287 233 G HA3 -0.128 3.832 3.960 0.000 0.000 0.287 233 G C -0.040 174.743 174.900 -0.195 0.000 1.055 233 G CA 0.847 45.825 45.100 -0.204 0.000 0.922 233 G HN 1.576 nan 8.290 nan 0.000 0.503 234 Y N -3.552 116.296 120.300 -0.754 0.000 2.655 234 Y HA 0.727 5.277 4.550 0.000 0.000 0.336 234 Y C -0.423 175.288 175.900 -0.315 0.000 1.154 234 Y CA -1.867 56.063 58.100 -0.282 0.000 1.055 234 Y CB 0.912 39.303 38.460 -0.115 0.000 1.295 234 Y HN 0.331 nan 8.280 nan 0.000 0.465 235 V N 2.462 122.398 119.914 0.036 0.000 2.432 235 V HA 0.172 4.292 4.120 0.000 0.000 0.275 235 V C -0.527 175.504 176.094 -0.106 0.000 1.043 235 V CA -0.316 61.863 62.300 -0.202 0.000 0.925 235 V CB 0.985 32.413 31.823 -0.657 0.000 0.985 235 V HN 0.758 nan 8.190 nan 0.000 0.466 236 D N 3.623 123.903 120.400 -0.199 0.000 2.352 236 D HA 0.128 4.768 4.640 0.000 0.000 0.245 236 D C 1.130 177.492 176.300 0.102 0.000 1.224 236 D CA 0.230 54.227 54.000 -0.005 0.000 0.879 236 D CB 1.416 42.165 40.800 -0.086 0.000 1.057 236 D HN 0.456 nan 8.370 nan 0.000 0.491 237 S N 3.040 118.801 115.700 0.101 0.000 2.447 237 S HA -0.067 4.404 4.470 0.000 0.000 0.233 237 S C 0.116 174.881 174.600 0.275 0.000 1.006 237 S CA 0.511 58.790 58.200 0.132 0.000 0.957 237 S CB -0.170 63.089 63.200 0.098 0.000 0.773 237 S HN 0.574 nan 8.310 nan 0.000 0.507 238 N N 0.353 119.180 118.700 0.212 0.000 2.410 238 N HA 0.563 5.303 4.740 0.000 0.000 0.287 238 N C -0.641 174.920 175.510 0.084 0.000 1.044 238 N CA -0.491 52.677 53.050 0.197 0.000 0.881 238 N CB 1.860 40.394 38.487 0.079 0.000 1.405 238 N HN 0.227 nan 8.380 nan 0.000 0.490 239 I N -1.728 118.858 120.570 0.026 0.000 3.522 239 I HA 0.641 4.811 4.170 0.000 0.000 0.292 239 I C -0.011 176.076 176.117 -0.050 0.000 1.147 239 I CA -0.878 60.346 61.300 -0.127 0.000 1.032 239 I CB 1.243 38.992 38.000 -0.418 0.000 1.337 239 I HN 0.272 nan 8.210 nan 0.000 0.496 240 N N 0.053 118.722 118.700 -0.052 0.000 2.708 240 N HA -0.181 4.559 4.740 0.000 0.000 0.251 240 N C -0.309 175.181 175.510 -0.034 0.000 1.123 240 N CA 1.510 54.549 53.050 -0.020 0.000 0.739 240 N CB -1.226 37.275 38.487 0.023 0.000 1.113 240 N HN 0.986 nan 8.380 nan 0.000 0.561 241 T N -0.900 113.630 114.554 -0.041 0.000 2.830 241 T HA 0.320 4.670 4.350 0.000 0.000 0.322 241 T C -1.882 172.793 174.700 -0.041 0.000 1.501 241 T CA -0.697 61.375 62.100 -0.046 0.000 1.036 241 T CB 0.835 69.667 68.868 -0.060 0.000 1.379 241 T HN 0.085 nan 8.240 nan 0.000 0.493 242 N N 3.408 122.085 118.700 -0.038 0.000 2.621 242 N HA 0.180 4.921 4.740 0.000 0.000 0.237 242 N C 0.734 176.224 175.510 -0.032 0.000 0.997 242 N CA -0.397 52.633 53.050 -0.032 0.000 0.918 242 N CB 1.627 40.098 38.487 -0.027 0.000 1.122 242 N HN 0.762 nan 8.380 nan 0.000 0.510 243 E N 1.190 121.369 120.200 -0.035 0.000 2.489 243 E HA 0.020 4.370 4.350 0.000 0.000 0.193 243 E C 0.745 177.326 176.600 -0.032 0.000 1.057 243 E CA 0.131 56.506 56.400 -0.041 0.000 0.866 243 E CB -0.169 29.495 29.700 -0.059 0.000 0.916 243 E HN 0.664 nan 8.360 nan 0.000 0.500 244 G N 1.359 110.145 108.800 -0.023 0.000 2.198 244 G HA2 -0.305 3.655 3.960 0.000 0.000 0.257 244 G HA3 -0.305 3.655 3.960 0.000 0.000 0.257 244 G C -0.048 174.845 174.900 -0.012 0.000 1.042 244 G CA 0.522 45.614 45.100 -0.014 0.000 0.791 244 G HN 0.369 nan 8.290 nan 0.000 0.502 245 R N -1.812 118.675 120.500 -0.022 0.000 2.855 245 R HA 0.644 4.984 4.340 0.000 0.000 0.266 245 R C 1.639 177.930 176.300 -0.015 0.000 1.034 245 R CA -0.306 55.781 56.100 -0.021 0.000 0.944 245 R CB 0.500 30.771 30.300 -0.049 0.000 1.219 245 R HN 0.246 nan 8.270 nan 0.000 0.474 246 T N -2.218 112.321 114.554 -0.024 0.000 2.951 246 T HA 0.051 4.401 4.350 0.000 0.000 0.268 246 T C 1.426 176.177 174.700 0.086 0.000 1.073 246 T CA 1.079 63.175 62.100 -0.005 0.000 1.134 246 T CB -0.077 68.715 68.868 -0.126 0.000 0.884 246 T HN 0.939 nan 8.240 nan 0.000 0.479 247 G N 1.453 110.281 108.800 0.047 0.000 2.199 247 G HA2 -0.256 3.705 3.960 0.000 0.000 0.254 247 G HA3 -0.256 3.705 3.960 0.000 0.000 0.254 247 G C 0.038 175.013 174.900 0.126 0.000 0.982 247 G CA 0.047 45.205 45.100 0.096 0.000 0.632 247 G HN 0.673 nan 8.290 nan 0.000 0.529 248 K N 1.412 121.823 120.400 0.018 0.000 2.395 248 K HA 0.403 4.724 4.320 0.000 0.000 0.283 248 K C -0.665 175.971 176.600 0.059 0.000 1.068 248 K CA 0.336 56.593 56.287 -0.049 0.000 1.039 248 K CB 0.554 32.874 32.500 -0.299 0.000 0.924 248 K HN 0.268 nan 8.250 nan 0.000 0.468 249 D N 2.364 122.859 120.400 0.159 0.000 2.886 249 D HA -0.016 4.624 4.640 0.000 0.000 0.216 249 D C 0.271 176.748 176.300 0.295 0.000 1.256 249 D CA -0.532 53.634 54.000 0.276 0.000 0.844 249 D CB 2.087 43.040 40.800 0.254 0.000 1.669 249 D HN 0.147 nan 8.370 nan 0.000 0.513 250 V N 4.290 124.408 119.914 0.340 0.000 2.688 250 V HA -0.191 3.930 4.120 0.000 0.000 0.256 250 V C 2.159 178.432 176.094 0.299 0.000 1.084 250 V CA 2.171 64.639 62.300 0.279 0.000 1.103 250 V CB -0.654 31.270 31.823 0.169 0.000 0.688 250 V HN 0.631 nan 8.190 nan 0.000 0.480 251 N N 1.309 120.195 118.700 0.310 0.000 2.165 251 N HA -0.306 4.434 4.740 0.000 0.000 0.200 251 N C 1.982 177.670 175.510 0.297 0.000 0.991 251 N CA 2.903 56.041 53.050 0.148 0.000 0.904 251 N CB -0.485 38.058 38.487 0.094 0.000 1.068 251 N HN 0.708 nan 8.380 nan 0.000 0.530 252 S N -0.668 115.205 115.700 0.287 0.000 2.406 252 S HA -0.000 4.470 4.470 0.000 0.000 0.228 252 S C 2.324 177.226 174.600 0.503 0.000 1.020 252 S CA 1.196 59.593 58.200 0.330 0.000 0.965 252 S CB -0.544 62.654 63.200 -0.003 0.000 0.798 252 S HN 0.152 nan 8.310 nan 0.000 0.488 253 V N 2.282 122.428 119.914 0.385 0.000 2.358 253 V HA -0.055 4.065 4.120 0.000 0.000 0.246 253 V C 2.529 178.827 176.094 0.339 0.000 1.047 253 V CA 1.500 63.996 62.300 0.325 0.000 1.035 253 V CB -0.965 30.970 31.823 0.188 0.000 0.658 253 V HN 0.411 nan 8.190 nan 0.000 0.452 254 L N -0.053 121.397 121.223 0.379 0.000 2.079 254 L HA -0.199 4.141 4.340 0.000 0.000 0.210 254 L C 2.630 179.895 176.870 0.659 0.000 1.081 254 L CA 1.918 57.072 54.840 0.524 0.000 0.752 254 L CB -0.919 41.412 42.059 0.453 0.000 0.896 254 L HN 0.374 nan 8.230 nan 0.000 0.433 255 T N -1.630 113.280 114.554 0.593 0.000 2.701 255 T HA -0.212 4.138 4.350 0.000 0.000 0.263 255 T C 2.147 177.084 174.700 0.395 0.000 1.040 255 T CA 1.657 64.019 62.100 0.437 0.000 1.147 255 T CB -0.197 68.849 68.868 0.297 0.000 0.865 255 T HN 0.268 nan 8.240 nan 0.000 0.426 256 S N 1.284 117.296 115.700 0.521 0.000 2.365 256 S HA -0.123 4.347 4.470 0.000 0.000 0.225 256 S C 2.136 176.885 174.600 0.248 0.000 1.039 256 S CA 1.640 60.098 58.200 0.431 0.000 1.033 256 S CB -0.564 62.817 63.200 0.301 0.000 0.887 256 S HN 0.631 nan 8.310 nan 0.000 0.447 257 I N -1.868 118.802 120.570 0.167 0.000 2.439 257 I HA -0.023 4.147 4.170 0.000 0.000 0.251 257 I C 1.936 178.056 176.117 0.004 0.000 1.139 257 I CA 1.475 62.780 61.300 0.008 0.000 1.438 257 I CB -0.732 37.205 38.000 -0.105 0.000 1.085 257 I HN 0.269 nan 8.210 nan 0.000 0.427 258 H N 1.551 120.746 119.070 0.209 0.000 2.548 258 H HA 0.088 4.644 4.556 0.000 0.000 0.268 258 H C 1.470 176.820 175.328 0.036 0.000 0.975 258 H CA 1.567 57.693 56.048 0.131 0.000 1.195 258 H CB 0.268 30.106 29.762 0.126 0.000 1.397 258 H HN 0.565 nan 8.280 nan 0.000 0.572 259 T N -2.466 112.203 114.554 0.191 0.000 3.182 259 T HA 0.055 4.405 4.350 0.000 0.000 0.277 259 T C 0.231 175.247 174.700 0.527 0.000 1.013 259 T CA -0.553 61.648 62.100 0.168 0.000 0.900 259 T CB -0.933 67.981 68.868 0.078 0.000 1.098 259 T HN -0.029 nan 8.240 nan 0.000 0.543 260 F N 3.439 123.537 119.950 0.247 0.000 2.612 260 F HA 0.374 4.902 4.527 0.000 0.000 0.389 260 F C -0.117 175.846 175.800 0.272 0.000 1.055 260 F CA -0.528 57.590 58.000 0.198 0.000 1.232 260 F CB 0.265 39.304 39.000 0.066 0.000 1.044 260 F HN 0.157 nan 8.300 nan 0.000 0.560 261 D N 8.780 129.021 120.400 -0.265 0.000 2.478 261 D HA 0.242 4.882 4.640 0.000 0.000 0.240 261 D C -2.121 173.842 176.300 -0.562 0.000 1.364 261 D CA -1.766 51.906 54.000 -0.546 0.000 0.987 261 D CB 2.027 42.517 40.800 -0.515 0.000 1.328 261 D HN 0.213 nan 8.370 nan 0.000 0.584 262 P HA -0.127 nan 4.420 nan 0.000 0.221 262 P C 1.066 178.312 177.300 -0.089 0.000 1.145 262 P CA 0.580 63.543 63.100 -0.227 0.000 0.795 262 P CB 0.543 32.246 31.700 0.005 0.000 0.775 263 N N 0.144 118.745 118.700 -0.165 0.000 2.289 263 N HA -0.100 4.641 4.740 0.000 0.000 0.184 263 N C 1.609 177.053 175.510 -0.110 0.000 1.016 263 N CA 0.848 53.826 53.050 -0.120 0.000 0.872 263 N CB -0.887 37.503 38.487 -0.162 0.000 0.973 263 N HN 0.144 nan 8.380 nan 0.000 0.433 264 L N -0.765 120.372 121.223 -0.144 0.000 2.599 264 L HA 0.194 4.535 4.340 0.000 0.000 0.230 264 L C 1.515 178.375 176.870 -0.017 0.000 1.141 264 L CA 0.177 54.956 54.840 -0.101 0.000 0.877 264 L CB -0.889 41.087 42.059 -0.138 0.000 1.009 264 L HN 0.264 nan 8.230 nan 0.000 0.447 265 G N -0.179 108.631 108.800 0.017 0.000 2.583 265 G HA2 -0.359 3.601 3.960 0.000 0.000 0.292 265 G HA3 -0.359 3.601 3.960 0.000 0.000 0.292 265 G C 0.251 175.207 174.900 0.094 0.000 1.203 265 G CA 0.049 45.193 45.100 0.074 0.000 0.987 265 G HN 0.251 nan 8.290 nan 0.000 0.554 266 c N 1.178 119.838 118.600 0.100 0.000 2.336 266 c HA 0.477 5.047 4.570 0.000 0.000 0.332 266 c C 0.628 174.754 174.090 0.060 0.000 1.375 266 c CA -0.162 56.227 56.329 0.099 0.000 1.785 266 c CB -1.613 40.998 42.510 0.169 0.000 2.407 266 c HN 0.714 nan 8.230 nan 0.000 0.562 267 D N 0.880 121.309 120.400 0.048 0.000 2.434 267 D HA 0.264 4.904 4.640 0.000 0.000 0.252 267 D C 1.050 177.370 176.300 0.033 0.000 1.185 267 D CA 0.336 54.357 54.000 0.034 0.000 0.886 267 D CB 0.973 41.790 40.800 0.028 0.000 1.148 267 D HN 0.398 nan 8.370 nan 0.000 0.483 268 A N 3.380 126.206 122.820 0.010 0.000 2.021 268 A HA 0.160 4.480 4.320 0.000 0.000 0.216 268 A C 2.072 179.689 177.584 0.055 0.000 1.163 268 A CA 0.957 52.988 52.037 -0.011 0.000 0.676 268 A CB -0.563 18.383 19.000 -0.090 0.000 0.818 268 A HN 0.679 nan 8.150 nan 0.000 0.453 269 G N 0.170 108.996 108.800 0.044 0.000 2.440 269 G HA2 -0.216 3.744 3.960 0.000 0.000 0.218 269 G HA3 -0.216 3.744 3.960 0.000 0.000 0.218 269 G C 1.552 176.510 174.900 0.096 0.000 1.154 269 G CA 1.882 47.012 45.100 0.050 0.000 0.767 269 G HN 0.719 nan 8.290 nan 0.000 0.552 270 T N -4.099 110.540 114.554 0.142 0.000 3.122 270 T HA 0.293 4.643 4.350 0.000 0.000 0.250 270 T C 0.909 175.814 174.700 0.341 0.000 1.067 270 T CA -0.039 62.194 62.100 0.222 0.000 0.966 270 T CB -0.231 68.806 68.868 0.283 0.000 1.002 270 T HN 0.539 nan 8.240 nan 0.000 0.542 271 F N 1.803 121.811 119.950 0.098 0.000 3.071 271 F HA -0.177 4.350 4.527 0.000 0.000 0.295 271 F C 0.048 175.932 175.800 0.140 0.000 0.919 271 F CA -0.167 57.911 58.000 0.130 0.000 1.050 271 F CB -1.744 37.407 39.000 0.252 0.000 1.040 271 F HN 0.256 nan 8.300 nan 0.000 0.692 272 Q N 0.917 120.778 119.800 0.102 0.000 2.349 272 Q HA 0.029 4.369 4.340 0.000 0.000 0.287 272 Q C -1.085 174.874 176.000 -0.069 0.000 1.044 272 Q CA -0.548 55.316 55.803 0.102 0.000 0.918 272 Q CB 0.329 29.140 28.738 0.121 0.000 1.242 272 Q HN 0.144 nan 8.270 nan 0.000 0.405 273 P HA -0.192 nan 4.420 nan 0.000 0.216 273 P C 1.037 178.170 177.300 -0.278 0.000 1.154 273 P CA 1.724 64.693 63.100 -0.218 0.000 0.865 273 P CB 0.038 31.555 31.700 -0.304 0.000 0.789 274 c N -3.113 115.363 118.600 -0.205 0.000 2.626 274 c HA 0.307 4.878 4.570 0.000 0.000 0.266 274 c C 1.306 175.414 174.090 0.029 0.000 1.317 274 c CA -0.533 55.712 56.329 -0.140 0.000 1.716 274 c CB -2.036 40.341 42.510 -0.221 0.000 1.819 274 c HN 0.175 nan 8.230 nan 0.000 0.578 275 S N 2.161 117.818 115.700 -0.071 0.000 2.573 275 S HA 0.127 4.597 4.470 0.000 0.000 0.277 275 S C 1.008 175.562 174.600 -0.076 0.000 1.346 275 S CA 0.656 58.822 58.200 -0.058 0.000 1.034 275 S CB 0.647 63.774 63.200 -0.121 0.000 0.879 275 S HN 0.665 nan 8.310 nan 0.000 0.528 276 D N 1.995 122.391 120.400 -0.008 0.000 2.144 276 D HA -0.192 4.449 4.640 0.000 0.000 0.199 276 D C 1.408 177.678 176.300 -0.050 0.000 0.984 276 D CA 1.446 55.468 54.000 0.037 0.000 0.834 276 D CB -0.356 40.502 40.800 0.097 0.000 0.955 276 D HN 0.695 nan 8.370 nan 0.000 0.465 277 K N 0.442 120.717 120.400 -0.209 0.000 2.057 277 K HA 0.028 4.349 4.320 0.000 0.000 0.207 277 K C 2.355 178.836 176.600 -0.197 0.000 1.049 277 K CA 1.293 57.371 56.287 -0.348 0.000 0.931 277 K CB -0.226 31.830 32.500 -0.740 0.000 0.714 277 K HN 0.215 nan 8.250 nan 0.000 0.440 278 A N 1.436 123.877 122.820 -0.630 0.000 1.933 278 A HA -0.113 4.207 4.320 0.000 0.000 0.218 278 A C 2.130 179.481 177.584 -0.389 0.000 1.175 278 A CA 1.192 52.654 52.037 -0.960 0.000 0.628 278 A CB -0.538 17.806 19.000 -1.092 0.000 0.814 278 A HN 0.134 nan 8.150 nan 0.000 0.444 279 L N -1.129 119.875 121.223 -0.365 0.000 2.044 279 L HA -0.128 4.212 4.340 0.000 0.000 0.205 279 L C 2.901 179.640 176.870 -0.217 0.000 1.075 279 L CA 1.400 55.906 54.840 -0.556 0.000 0.747 279 L CB -0.597 40.949 42.059 -0.854 0.000 0.903 279 L HN 0.473 nan 8.230 nan 0.000 0.435 280 S N 0.487 116.211 115.700 0.041 0.000 2.365 280 S HA -0.292 4.178 4.470 0.000 0.000 0.225 280 S C 1.829 176.603 174.600 0.290 0.000 1.039 280 S CA 2.287 60.640 58.200 0.255 0.000 1.033 280 S CB -0.378 63.065 63.200 0.406 0.000 0.887 280 S HN 0.500 nan 8.310 nan 0.000 0.447 281 N N 0.522 119.430 118.700 0.348 0.000 2.069 281 N HA -0.108 4.632 4.740 0.000 0.000 0.191 281 N C 1.730 177.394 175.510 0.257 0.000 1.031 281 N CA 1.570 54.851 53.050 0.385 0.000 0.852 281 N CB -0.573 38.264 38.487 0.584 0.000 1.018 281 N HN 0.390 nan 8.380 nan 0.000 0.423 282 L N 1.317 122.641 121.223 0.168 0.000 2.012 282 L HA -0.149 4.191 4.340 0.000 0.000 0.210 282 L C 2.263 179.269 176.870 0.226 0.000 1.073 282 L CA 1.937 56.864 54.840 0.146 0.000 0.748 282 L CB -0.909 41.169 42.059 0.032 0.000 0.891 282 L HN 0.244 nan 8.230 nan 0.000 0.431 283 K N -1.059 119.520 120.400 0.299 0.000 2.032 283 K HA -0.167 4.153 4.320 0.000 0.000 0.209 283 K C 1.875 178.590 176.600 0.191 0.000 1.048 283 K CA 2.153 58.627 56.287 0.312 0.000 0.927 283 K CB -0.298 32.401 32.500 0.332 0.000 0.712 283 K HN 0.273 nan 8.250 nan 0.000 0.441 284 V N 0.855 120.860 119.914 0.152 0.000 2.287 284 V HA -0.257 3.863 4.120 0.000 0.000 0.248 284 V C 2.395 178.484 176.094 -0.010 0.000 1.053 284 V CA 1.788 64.111 62.300 0.038 0.000 1.027 284 V CB -0.286 31.547 31.823 0.017 0.000 0.646 284 V HN 0.225 nan 8.190 nan 0.000 0.447 285 V N -0.359 119.594 119.914 0.065 0.000 2.295 285 V HA -0.239 3.881 4.120 0.000 0.000 0.246 285 V C 2.430 178.628 176.094 0.174 0.000 1.049 285 V CA 2.030 64.382 62.300 0.087 0.000 1.024 285 V CB -0.495 31.439 31.823 0.184 0.000 0.648 285 V HN 0.406 nan 8.190 nan 0.000 0.447 286 V N 0.208 120.265 119.914 0.239 0.000 2.287 286 V HA -0.302 3.818 4.120 0.000 0.000 0.248 286 V C 2.293 178.523 176.094 0.227 0.000 1.053 286 V CA 2.324 64.817 62.300 0.323 0.000 1.027 286 V CB -0.768 31.277 31.823 0.369 0.000 0.646 286 V HN 0.555 nan 8.190 nan 0.000 0.447 287 D N 0.331 120.797 120.400 0.110 0.000 2.178 287 D HA -0.132 4.508 4.640 0.000 0.000 0.201 287 D C 2.404 178.649 176.300 -0.091 0.000 0.980 287 D CA 1.702 55.717 54.000 0.025 0.000 0.842 287 D CB -0.317 40.485 40.800 0.004 0.000 0.948 287 D HN 0.614 nan 8.370 nan 0.000 0.472 288 S N -0.598 114.974 115.700 -0.213 0.000 2.442 288 S HA -0.145 4.325 4.470 0.000 0.000 0.236 288 S C 1.606 175.827 174.600 -0.633 0.000 1.007 288 S CA 0.678 58.605 58.200 -0.456 0.000 0.965 288 S CB -0.504 62.330 63.200 -0.609 0.000 0.773 288 S HN 0.174 nan 8.310 nan 0.000 0.504 289 F N 0.966 120.792 119.950 -0.207 0.000 2.731 289 F HA 0.478 5.005 4.527 0.000 0.000 0.298 289 F C 2.406 178.027 175.800 -0.298 0.000 1.106 289 F CA -0.730 57.035 58.000 -0.392 0.000 1.329 289 F CB -0.092 38.710 39.000 -0.330 0.000 1.100 289 F HN 0.019 nan 8.300 nan 0.000 0.592 290 R N 0.233 120.733 120.500 0.000 0.000 2.105 290 R HA -0.130 4.211 4.340 0.000 0.000 0.239 290 R C 1.961 178.248 176.300 -0.021 0.000 1.135 290 R CA 1.840 57.952 56.100 0.020 0.000 0.967 290 R CB -0.512 29.805 30.300 0.030 0.000 0.861 290 R HN 0.312 nan 8.270 nan 0.000 0.442 291 S N -0.369 115.289 115.700 -0.070 0.000 2.540 291 S HA 0.074 4.545 4.470 0.000 0.000 0.218 291 S C 1.679 176.239 174.600 -0.066 0.000 0.977 291 S CA -0.244 57.922 58.200 -0.057 0.000 0.918 291 S CB -0.024 63.139 63.200 -0.061 0.000 0.806 291 S HN 0.469 nan 8.310 nan 0.000 0.496 292 I N -3.678 116.819 120.570 -0.122 0.000 4.187 292 I HA 0.470 4.640 4.170 0.000 0.000 0.326 292 I C -0.767 175.350 176.117 -0.001 0.000 1.302 292 I CA -0.500 60.727 61.300 -0.121 0.000 1.196 292 I CB 0.219 38.084 38.000 -0.225 0.000 1.095 292 I HN -0.034 nan 8.210 nan 0.000 0.411 293 Y N 2.642 122.942 120.300 0.000 0.000 2.330 293 Y HA 0.588 5.138 4.550 0.000 0.000 0.336 293 Y C 1.604 177.483 175.900 -0.035 0.000 1.036 293 Y CA -1.211 56.869 58.100 -0.033 0.000 1.125 293 Y CB 1.461 39.889 38.460 -0.054 0.000 1.194 293 Y HN 0.001 nan 8.280 nan 0.000 0.469 294 G N 1.695 110.562 108.800 0.112 0.000 2.505 294 G HA2 -0.280 3.681 3.960 0.000 0.000 0.220 294 G HA3 -0.280 3.681 3.960 0.000 0.000 0.220 294 G C 1.510 176.433 174.900 0.039 0.000 1.145 294 G CA 1.727 46.852 45.100 0.042 0.000 0.761 294 G HN 0.661 nan 8.290 nan 0.000 0.571 295 V N -1.104 118.819 119.914 0.014 0.000 2.913 295 V HA -0.029 4.091 4.120 0.000 0.000 0.260 295 V C 1.774 177.932 176.094 0.105 0.000 1.098 295 V CA 1.937 64.253 62.300 0.027 0.000 1.121 295 V CB -0.425 31.333 31.823 -0.109 0.000 0.714 295 V HN 0.228 nan 8.190 nan 0.000 0.487 296 N N 0.104 118.878 118.700 0.124 0.000 2.280 296 N HA 0.140 4.881 4.740 0.000 0.000 0.192 296 N C 0.440 175.993 175.510 0.071 0.000 1.109 296 N CA 0.182 53.300 53.050 0.113 0.000 0.855 296 N CB -0.048 38.522 38.487 0.139 0.000 0.974 296 N HN 0.592 nan 8.380 nan 0.000 0.482 297 K N 0.292 120.728 120.400 0.060 0.000 2.484 297 K HA 0.096 4.417 4.320 0.000 0.000 0.280 297 K C 1.002 177.621 176.600 0.031 0.000 1.013 297 K CA 0.766 57.075 56.287 0.038 0.000 1.029 297 K CB 0.272 32.791 32.500 0.031 0.000 0.902 297 K HN 0.235 nan 8.250 nan 0.000 0.481 298 G N 2.817 111.629 108.800 0.020 0.000 2.189 298 G HA2 -0.290 3.670 3.960 0.000 0.000 0.267 298 G HA3 -0.290 3.670 3.960 0.000 0.000 0.267 298 G C 0.213 175.121 174.900 0.012 0.000 0.975 298 G CA 0.027 45.135 45.100 0.013 0.000 0.644 298 G HN 0.589 nan 8.290 nan 0.000 0.537 299 I N 3.000 123.581 120.570 0.019 0.000 2.371 299 I HA 0.306 4.476 4.170 0.000 0.000 0.290 299 I C -0.970 175.153 176.117 0.010 0.000 1.028 299 I CA -1.922 59.386 61.300 0.014 0.000 1.345 299 I CB 0.995 39.007 38.000 0.020 0.000 1.407 299 I HN -0.002 nan 8.210 nan 0.000 0.501 300 P HA 0.274 nan 4.420 nan 0.000 0.278 300 P C -0.625 176.673 177.300 -0.005 0.000 1.258 300 P CA -0.538 62.559 63.100 -0.006 0.000 0.811 300 P CB 0.764 32.455 31.700 -0.016 0.000 1.063 301 A N 0.283 123.094 122.820 -0.014 0.000 2.555 301 A HA 0.383 4.703 4.320 0.000 0.000 0.233 301 A C 1.457 178.997 177.584 -0.074 0.000 1.060 301 A CA 0.847 52.867 52.037 -0.028 0.000 0.759 301 A CB -1.460 17.518 19.000 -0.037 0.000 0.995 301 A HN 1.004 nan 8.150 nan 0.000 0.506 302 G N -0.070 108.647 108.800 -0.139 0.000 2.179 302 G HA2 0.172 4.133 3.960 0.000 0.000 0.260 302 G HA3 0.172 4.133 3.960 0.000 0.000 0.260 302 G C 0.421 175.209 174.900 -0.187 0.000 0.977 302 G CA 0.708 45.627 45.100 -0.301 0.000 0.641 302 G HN 2.307 nan 8.290 nan 0.000 0.533 303 A N -0.239 122.586 122.820 0.009 0.000 2.350 303 A HA 0.998 5.318 4.320 0.000 0.000 0.324 303 A C 0.567 178.226 177.584 0.126 0.000 1.118 303 A CA 0.652 52.742 52.037 0.089 0.000 0.783 303 A CB 1.296 20.301 19.000 0.008 0.000 1.236 303 A HN 2.051 nan 8.150 nan 0.000 0.457 304 A N 0.881 123.618 122.820 -0.138 0.000 2.520 304 A HA 0.496 4.816 4.320 0.000 0.000 0.235 304 A C 0.476 177.776 177.584 -0.473 0.000 1.065 304 A CA 0.645 52.136 52.037 -0.910 0.000 0.764 304 A CB -0.385 17.766 19.000 -1.415 0.000 1.002 304 A HN 2.160 nan 8.150 nan 0.000 0.502 305 V N -1.561 118.115 119.914 -0.396 0.000 3.102 305 V HA 0.881 5.001 4.120 0.000 0.000 0.312 305 V C 0.310 176.479 176.094 0.125 0.000 1.135 305 V CA -0.723 61.565 62.300 -0.020 0.000 1.022 305 V CB 1.117 33.000 31.823 0.101 0.000 1.056 305 V HN 1.764 nan 8.190 nan 0.000 0.436 306 A N 2.716 125.647 122.820 0.185 0.000 2.488 306 A HA 0.723 5.044 4.320 0.000 0.000 0.249 306 A C -0.089 177.560 177.584 0.108 0.000 1.083 306 A CA 0.056 52.219 52.037 0.210 0.000 0.768 306 A CB -0.462 18.676 19.000 0.230 0.000 1.017 306 A HN 1.714 nan 8.150 nan 0.000 0.496 307 I N -0.111 120.408 120.570 -0.085 0.000 2.689 307 I HA 0.895 5.065 4.170 0.000 0.000 0.299 307 I C 0.335 175.993 176.117 -0.765 0.000 1.059 307 I CA -0.726 60.248 61.300 -0.542 0.000 1.055 307 I CB 2.226 39.971 38.000 -0.425 0.000 1.243 307 I HN 0.590 nan 8.210 nan 0.000 0.425 308 G N 3.790 111.723 108.800 -1.444 0.000 2.890 308 G HA2 0.468 4.428 3.960 0.000 0.000 0.189 308 G HA3 0.468 4.428 3.960 0.000 0.000 0.189 308 G C 0.273 174.742 174.900 -0.718 0.000 1.342 308 G CA -0.836 43.781 45.100 -0.806 0.000 1.026 308 G HN 0.701 nan 8.290 nan 0.000 0.579 309 R N -1.201 118.886 120.500 -0.689 0.000 2.052 309 R HA 0.157 4.498 4.340 0.000 0.000 0.224 309 R C -0.057 176.344 176.300 0.167 0.000 1.149 309 R CA 1.187 56.943 56.100 -0.574 0.000 0.962 309 R CB -0.225 29.277 30.300 -1.331 0.000 0.856 309 R HN 0.613 nan 8.270 nan 0.000 0.433 310 Y N -5.055 115.325 120.300 0.134 0.000 2.592 310 Y HA 0.573 5.123 4.550 0.000 0.000 0.334 310 Y C 0.151 176.043 175.900 -0.013 0.000 1.136 310 Y CA -0.994 57.163 58.100 0.095 0.000 1.042 310 Y CB 1.031 39.500 38.460 0.016 0.000 1.325 310 Y HN -0.107 nan 8.280 nan 0.000 0.457 311 A N 0.826 123.501 122.820 -0.242 0.000 2.015 311 A HA -0.064 4.256 4.320 0.000 0.000 0.219 311 A C 1.236 178.743 177.584 -0.128 0.000 1.163 311 A CA 1.752 53.578 52.037 -0.352 0.000 0.646 311 A CB -0.603 18.104 19.000 -0.489 0.000 0.806 311 A HN 0.872 nan 8.150 nan 0.000 0.448 312 E N 0.622 120.853 120.200 0.051 0.000 2.502 312 E HA 0.017 4.367 4.350 0.000 0.000 0.194 312 E C 0.039 176.690 176.600 0.084 0.000 1.062 312 E CA 0.038 56.509 56.400 0.118 0.000 0.867 312 E CB -0.110 29.717 29.700 0.212 0.000 0.888 312 E HN 0.483 nan 8.360 nan 0.000 0.510 313 D N 0.118 120.352 120.400 -0.276 0.000 2.493 313 D HA -0.057 4.583 4.640 0.000 0.000 0.240 313 D C 0.832 177.079 176.300 -0.088 0.000 1.142 313 D CA 0.139 53.870 54.000 -0.448 0.000 0.872 313 D CB 1.218 41.514 40.800 -0.841 0.000 1.173 313 D HN 0.017 nan 8.370 nan 0.000 0.467 314 V N 2.602 122.530 119.914 0.024 0.000 3.477 314 V HA 0.217 4.337 4.120 0.000 0.000 0.297 314 V C 0.485 176.636 176.094 0.096 0.000 1.433 314 V CA -0.585 61.746 62.300 0.051 0.000 1.052 314 V CB -1.037 30.820 31.823 0.055 0.000 0.895 314 V HN 0.451 nan 8.190 nan 0.000 0.438 315 Y N 2.096 122.395 120.300 -0.000 0.000 2.650 315 Y HA 0.299 4.850 4.550 0.000 0.000 0.331 315 Y C 0.635 176.604 175.900 0.116 0.000 1.165 315 Y CA -0.491 57.639 58.100 0.051 0.000 1.473 315 Y CB -0.705 37.838 38.460 0.138 0.000 1.224 315 Y HN 0.385 nan 8.280 nan 0.000 0.533 316 Y N 4.707 124.789 120.300 -0.362 0.000 3.978 316 Y HA -0.440 4.110 4.550 0.000 0.000 0.219 316 Y C 1.001 176.780 175.900 -0.201 0.000 1.153 316 Y CA 1.153 59.043 58.100 -0.350 0.000 1.718 316 Y CB -1.724 36.426 38.460 -0.516 0.000 1.541 316 Y HN 0.892 nan 8.280 nan 0.000 0.640 317 N N -2.697 115.971 118.700 -0.052 0.000 2.984 317 N HA -0.138 4.602 4.740 0.000 0.000 0.227 317 N C 0.484 175.986 175.510 -0.013 0.000 0.903 317 N CA 1.754 54.784 53.050 -0.032 0.000 0.995 317 N CB -1.380 37.080 38.487 -0.045 0.000 1.065 317 N HN 1.543 nan 8.380 nan 0.000 0.585 318 G N 0.698 109.495 108.800 -0.005 0.000 3.313 318 G HA2 -0.184 3.776 3.960 0.000 0.000 0.563 318 G HA3 -0.184 3.776 3.960 0.000 0.000 0.563 318 G C -0.725 174.150 174.900 -0.041 0.000 1.037 318 G CA 0.041 45.140 45.100 -0.000 0.000 0.848 318 G HN 0.440 nan 8.290 nan 0.000 0.416 319 N N 2.668 121.285 118.700 -0.140 0.000 2.405 319 N HA 0.633 5.373 4.740 0.000 0.000 0.285 319 N C -2.890 172.266 175.510 -0.591 0.000 1.262 319 N CA -1.471 51.272 53.050 -0.513 0.000 0.773 319 N CB 2.683 40.859 38.487 -0.518 0.000 1.490 319 N HN 0.257 nan 8.380 nan 0.000 0.486 320 P HA 0.059 nan 4.420 nan 0.000 0.267 320 P C -0.832 175.947 177.300 -0.869 0.000 1.200 320 P CA 0.353 62.797 63.100 -1.093 0.000 0.772 320 P CB 0.348 30.971 31.700 -1.794 0.000 0.855 321 W N 1.553 122.336 121.300 -0.862 0.000 2.666 321 W HA 0.333 4.993 4.660 0.000 0.000 0.334 321 W C 1.095 177.396 176.519 -0.364 0.000 1.051 321 W CA -0.189 56.804 57.345 -0.585 0.000 1.224 321 W CB -0.008 29.188 29.460 -0.440 0.000 1.405 321 W HN 0.462 nan 8.180 nan 0.000 0.513 322 Y N 1.805 122.159 120.300 0.091 0.000 2.128 322 Y HA -0.300 4.250 4.550 0.000 0.000 0.284 322 Y C 2.341 178.170 175.900 -0.119 0.000 1.154 322 Y CA 2.200 60.260 58.100 -0.067 0.000 1.149 322 Y CB -1.014 37.394 38.460 -0.088 0.000 0.976 322 Y HN 0.352 nan 8.280 nan 0.000 0.505 323 L N -1.159 120.208 121.223 0.240 0.000 2.141 323 L HA 0.025 4.365 4.340 0.000 0.000 0.209 323 L C 2.260 179.227 176.870 0.162 0.000 1.094 323 L CA 1.808 56.791 54.840 0.239 0.000 0.763 323 L CB -1.412 40.623 42.059 -0.040 0.000 0.908 323 L HN 0.029 nan 8.230 nan 0.000 0.437 324 A N 0.062 122.915 122.820 0.054 0.000 1.873 324 A HA -0.115 4.205 4.320 0.000 0.000 0.215 324 A C 2.318 179.885 177.584 -0.028 0.000 1.186 324 A CA 2.185 54.204 52.037 -0.030 0.000 0.616 324 A CB -1.268 17.615 19.000 -0.194 0.000 0.823 324 A HN 0.537 nan 8.150 nan 0.000 0.442 325 T N -0.398 114.136 114.554 -0.033 0.000 2.777 325 T HA -0.058 4.292 4.350 0.000 0.000 0.266 325 T C 1.511 176.260 174.700 0.082 0.000 1.040 325 T CA 1.367 63.473 62.100 0.010 0.000 1.141 325 T CB -0.389 68.509 68.868 0.051 0.000 0.868 325 T HN 0.350 nan 8.240 nan 0.000 0.444 326 F N 1.922 121.977 119.950 0.175 0.000 2.171 326 F HA 0.111 4.638 4.527 0.000 0.000 0.300 326 F C 2.659 178.498 175.800 0.065 0.000 1.090 326 F CA 0.039 58.141 58.000 0.170 0.000 1.293 326 F CB -1.316 37.832 39.000 0.247 0.000 1.013 326 F HN 0.146 nan 8.300 nan 0.000 0.486 327 A N 0.013 122.968 122.820 0.225 0.000 1.940 327 A HA -0.072 4.248 4.320 0.000 0.000 0.219 327 A C 2.481 180.029 177.584 -0.061 0.000 1.176 327 A CA 1.888 53.992 52.037 0.111 0.000 0.631 327 A CB -1.225 17.863 19.000 0.146 0.000 0.814 327 A HN 0.296 nan 8.150 nan 0.000 0.446 328 A N -0.117 122.566 122.820 -0.228 0.000 1.873 328 A HA 0.181 4.502 4.320 0.000 0.000 0.215 328 A C 2.545 179.771 177.584 -0.596 0.000 1.186 328 A CA 2.097 53.790 52.037 -0.573 0.000 0.616 328 A CB -1.151 17.126 19.000 -1.205 0.000 0.823 328 A HN 1.093 nan 8.150 nan 0.000 0.442 329 A N -0.220 122.346 122.820 -0.424 0.000 1.892 329 A HA -0.262 4.058 4.320 0.000 0.000 0.218 329 A C 2.053 179.414 177.584 -0.371 0.000 1.188 329 A CA 2.104 53.958 52.037 -0.305 0.000 0.631 329 A CB -0.686 18.366 19.000 0.087 0.000 0.822 329 A HN 0.695 nan 8.150 nan 0.000 0.447 330 E N -0.747 119.400 120.200 -0.087 0.000 2.077 330 E HA -0.281 4.069 4.350 0.000 0.000 0.193 330 E C 2.242 178.738 176.600 -0.173 0.000 0.989 330 E CA 1.385 57.772 56.400 -0.021 0.000 0.800 330 E CB -0.209 29.494 29.700 0.006 0.000 0.746 330 E HN 0.752 nan 8.360 nan 0.000 0.452 331 Q N 0.236 119.912 119.800 -0.208 0.000 2.096 331 Q HA -0.198 4.142 4.340 0.000 0.000 0.204 331 Q C 2.338 178.152 176.000 -0.310 0.000 0.982 331 Q CA 1.573 57.224 55.803 -0.253 0.000 0.850 331 Q CB -0.070 28.552 28.738 -0.194 0.000 0.901 331 Q HN 0.392 nan 8.270 nan 0.000 0.422 332 L N -0.539 120.500 121.223 -0.306 0.000 2.056 332 L HA -0.198 4.143 4.340 0.000 0.000 0.207 332 L C 2.259 178.975 176.870 -0.256 0.000 1.078 332 L CA 1.021 55.700 54.840 -0.267 0.000 0.749 332 L CB -0.604 41.342 42.059 -0.188 0.000 0.901 332 L HN 0.273 nan 8.230 nan 0.000 0.433 333 Y N 0.258 120.483 120.300 -0.126 0.000 2.224 333 Y HA -0.234 4.316 4.550 0.000 0.000 0.289 333 Y C 2.422 178.198 175.900 -0.206 0.000 1.146 333 Y CA 0.841 58.874 58.100 -0.111 0.000 1.182 333 Y CB -0.743 37.667 38.460 -0.083 0.000 0.983 333 Y HN 0.223 nan 8.280 nan 0.000 0.524 334 D N -0.473 119.761 120.400 -0.277 0.000 2.144 334 D HA -0.120 4.520 4.640 0.000 0.000 0.200 334 D C 2.276 178.319 176.300 -0.428 0.000 0.978 334 D CA 1.362 54.964 54.000 -0.662 0.000 0.833 334 D CB -0.438 39.604 40.800 -1.262 0.000 0.961 334 D HN 0.309 nan 8.370 nan 0.000 0.470 335 A N 0.588 123.105 122.820 -0.505 0.000 1.898 335 A HA -0.094 4.226 4.320 0.000 0.000 0.216 335 A C 2.354 179.322 177.584 -1.026 0.000 1.181 335 A CA 0.726 52.241 52.037 -0.869 0.000 0.620 335 A CB -0.657 17.690 19.000 -1.088 0.000 0.819 335 A HN 0.170 nan 8.150 nan 0.000 0.442 336 I N -1.916 118.357 120.570 -0.495 0.000 2.163 336 I HA -0.293 3.877 4.170 0.000 0.000 0.243 336 I C 2.443 178.620 176.117 0.100 0.000 1.085 336 I CA 1.873 63.151 61.300 -0.036 0.000 1.347 336 I CB -0.472 37.633 38.000 0.175 0.000 1.044 336 I HN 0.539 nan 8.210 nan 0.000 0.408 337 Y N 1.399 121.695 120.300 -0.006 0.000 2.081 337 Y HA -0.317 4.233 4.550 0.000 0.000 0.280 337 Y C 2.510 178.480 175.900 0.117 0.000 1.163 337 Y CA 2.139 60.292 58.100 0.089 0.000 1.135 337 Y CB -0.438 38.104 38.460 0.137 0.000 0.970 337 Y HN -0.127 nan 8.280 nan 0.000 0.498 338 V N -0.790 119.250 119.914 0.210 0.000 2.343 338 V HA -0.306 3.814 4.120 0.000 0.000 0.247 338 V C 2.152 178.364 176.094 0.197 0.000 1.051 338 V CA 1.846 64.242 62.300 0.159 0.000 1.036 338 V CB -0.855 31.059 31.823 0.151 0.000 0.654 338 V HN 0.563 nan 8.190 nan 0.000 0.451 339 W N 0.740 122.135 121.300 0.158 0.000 2.358 339 W HA -0.090 4.571 4.660 0.001 0.000 0.303 339 W C 2.454 179.118 176.519 0.241 0.000 1.208 339 W CA 1.078 58.530 57.345 0.178 0.000 1.274 339 W CB -1.039 28.476 29.460 0.091 0.000 1.138 339 W HN 0.256 nan 8.180 nan 0.000 0.515 340 K N 0.402 121.033 120.400 0.385 0.000 2.057 340 K HA -0.181 4.139 4.320 0.000 0.000 0.206 340 K C 2.091 178.762 176.600 0.119 0.000 1.050 340 K CA 1.612 58.063 56.287 0.274 0.000 0.935 340 K CB -0.424 32.174 32.500 0.163 0.000 0.715 340 K HN 0.002 nan 8.250 nan 0.000 0.439 341 K N 0.928 121.317 120.400 -0.019 0.000 2.057 341 K HA -0.136 4.184 4.320 0.000 0.000 0.207 341 K C 1.900 178.518 176.600 0.030 0.000 1.049 341 K CA 1.977 58.217 56.287 -0.079 0.000 0.931 341 K CB -0.086 32.279 32.500 -0.226 0.000 0.714 341 K HN 0.226 nan 8.250 nan 0.000 0.440 342 T N -3.198 111.421 114.554 0.109 0.000 3.081 342 T HA 0.152 4.503 4.350 0.000 0.000 0.255 342 T C 1.238 176.015 174.700 0.127 0.000 1.113 342 T CA 0.531 62.704 62.100 0.122 0.000 1.082 342 T CB -0.049 68.917 68.868 0.164 0.000 0.939 342 T HN 0.410 nan 8.240 nan 0.000 0.506 343 G N 0.415 109.320 108.800 0.175 0.000 2.249 343 G HA2 -0.161 3.799 3.960 0.000 0.000 0.273 343 G HA3 -0.161 3.799 3.960 0.000 0.000 0.273 343 G C 0.006 174.956 174.900 0.083 0.000 1.036 343 G CA 0.360 45.509 45.100 0.082 0.000 0.824 343 G HN 1.076 nan 8.290 nan 0.000 0.504 344 S N -1.188 114.744 115.700 0.387 0.000 2.562 344 S HA 0.681 5.151 4.470 0.000 0.000 0.274 344 S C -0.638 174.165 174.600 0.339 0.000 1.160 344 S CA -0.729 57.665 58.200 0.324 0.000 0.933 344 S CB 1.005 64.300 63.200 0.158 0.000 1.100 344 S HN 0.684 nan 8.310 nan 0.000 0.468 345 I N 3.336 124.009 120.570 0.172 0.000 2.436 345 I HA 0.381 4.552 4.170 0.000 0.000 0.289 345 I C -0.199 175.826 176.117 -0.154 0.000 1.010 345 I CA -0.463 60.674 61.300 -0.272 0.000 1.098 345 I CB 2.350 39.876 38.000 -0.789 0.000 1.266 345 I HN 0.442 nan 8.210 nan 0.000 0.434 346 T N 5.606 120.090 114.554 -0.117 0.000 2.771 346 T HA 0.469 4.820 4.350 0.000 0.000 0.281 346 T C -0.217 174.375 174.700 -0.180 0.000 0.982 346 T CA -0.423 61.606 62.100 -0.117 0.000 0.978 346 T CB 1.583 70.440 68.868 -0.018 0.000 0.930 346 T HN 0.165 nan 8.240 nan 0.000 0.447 347 V N 4.358 124.128 119.914 -0.241 0.000 2.435 347 V HA 0.674 4.794 4.120 0.000 0.000 0.290 347 V C 0.676 176.762 176.094 -0.014 0.000 1.030 347 V CA -0.726 61.432 62.300 -0.236 0.000 0.881 347 V CB 1.553 33.179 31.823 -0.328 0.000 0.983 347 V HN 1.097 nan 8.190 nan 0.000 0.445 348 T N 1.508 116.126 114.554 0.106 0.000 2.910 348 T HA 0.689 5.039 4.350 0.000 0.000 0.287 348 T C 1.208 175.994 174.700 0.144 0.000 1.050 348 T CA 0.027 62.188 62.100 0.101 0.000 1.011 348 T CB 1.961 70.889 68.868 0.100 0.000 1.195 348 T HN 0.691 nan 8.240 nan 0.000 0.540 349 A N 0.796 123.687 122.820 0.120 0.000 1.917 349 A HA -0.038 4.282 4.320 0.000 0.000 0.219 349 A C 2.331 180.021 177.584 0.176 0.000 1.182 349 A CA 2.602 54.719 52.037 0.132 0.000 0.633 349 A CB -1.899 17.166 19.000 0.108 0.000 0.819 349 A HN 0.933 nan 8.150 nan 0.000 0.448 350 T N 0.380 115.048 114.554 0.191 0.000 2.777 350 T HA -0.111 4.240 4.350 0.000 0.000 0.266 350 T C 2.109 176.975 174.700 0.276 0.000 1.040 350 T CA 1.909 64.157 62.100 0.248 0.000 1.141 350 T CB -0.355 68.654 68.868 0.236 0.000 0.868 350 T HN 0.771 nan 8.240 nan 0.000 0.444 351 S N 1.001 116.876 115.700 0.292 0.000 2.575 351 S HA 0.164 4.634 4.470 0.000 0.000 0.215 351 S C 1.810 176.713 174.600 0.506 0.000 0.966 351 S CA -0.206 58.229 58.200 0.392 0.000 0.911 351 S CB -0.425 63.084 63.200 0.515 0.000 0.780 351 S HN 0.196 nan 8.310 nan 0.000 0.514 352 L N 2.507 123.949 121.223 0.364 0.000 1.997 352 L HA -0.107 4.233 4.340 0.000 0.000 0.216 352 L C 2.675 179.712 176.870 0.277 0.000 1.074 352 L CA 2.124 57.147 54.840 0.305 0.000 0.763 352 L CB -1.220 40.955 42.059 0.193 0.000 0.890 352 L HN 0.394 nan 8.230 nan 0.000 0.434 353 A N -1.383 121.576 122.820 0.232 0.000 1.933 353 A HA -0.258 4.062 4.320 0.000 0.000 0.218 353 A C 2.268 179.944 177.584 0.154 0.000 1.175 353 A CA 1.738 53.875 52.037 0.167 0.000 0.628 353 A CB -1.139 17.950 19.000 0.148 0.000 0.814 353 A HN 0.588 nan 8.150 nan 0.000 0.444 354 F N -0.328 119.657 119.950 0.058 0.000 2.102 354 F HA -0.154 4.373 4.527 0.000 0.000 0.298 354 F C 1.838 177.564 175.800 -0.122 0.000 1.105 354 F CA 1.831 59.795 58.000 -0.061 0.000 1.239 354 F CB -0.372 38.531 39.000 -0.162 0.000 0.991 354 F HN 0.187 nan 8.300 nan 0.000 0.474 355 F N 0.959 120.955 119.950 0.077 0.000 2.186 355 F HA -0.126 4.401 4.527 0.000 0.000 0.299 355 F C 2.566 178.271 175.800 -0.160 0.000 1.090 355 F CA 1.556 59.507 58.000 -0.083 0.000 1.307 355 F CB -1.053 38.007 39.000 0.101 0.000 1.019 355 F HN 0.035 nan 8.300 nan 0.000 0.489 356 Q N -0.136 119.721 119.800 0.095 0.000 2.226 356 Q HA -0.242 4.098 4.340 0.000 0.000 0.204 356 Q C 2.096 178.051 176.000 -0.075 0.000 0.975 356 Q CA 1.432 57.243 55.803 0.014 0.000 0.866 356 Q CB -0.302 28.461 28.738 0.043 0.000 0.915 356 Q HN 0.534 nan 8.270 nan 0.000 0.440 357 E N 0.611 120.721 120.200 -0.150 0.000 2.153 357 E HA -0.172 4.179 4.350 0.000 0.000 0.194 357 E C 1.660 178.096 176.600 -0.272 0.000 0.988 357 E CA 0.723 56.999 56.400 -0.207 0.000 0.811 357 E CB 0.154 29.700 29.700 -0.256 0.000 0.746 357 E HN 0.330 nan 8.360 nan 0.000 0.466 358 L N -0.315 120.705 121.223 -0.337 0.000 2.298 358 L HA 0.109 4.450 4.340 0.000 0.000 0.209 358 L C 0.301 177.067 176.870 -0.174 0.000 1.084 358 L CA 0.086 54.732 54.840 -0.323 0.000 0.816 358 L CB 0.966 42.767 42.059 -0.430 0.000 0.967 358 L HN -0.089 nan 8.230 nan 0.000 0.460 359 V N 0.886 120.728 119.914 -0.119 0.000 2.315 359 V HA 0.285 4.405 4.120 0.000 0.000 0.265 359 V C -2.401 173.656 176.094 -0.061 0.000 1.019 359 V CA -1.519 60.732 62.300 -0.081 0.000 0.824 359 V CB 0.692 32.468 31.823 -0.078 0.000 1.072 359 V HN -0.046 nan 8.190 nan 0.000 0.448 360 P HA 0.126 nan 4.420 nan 0.000 0.261 360 P C 1.207 178.489 177.300 -0.029 0.000 1.173 360 P CA 1.789 64.864 63.100 -0.042 0.000 0.760 360 P CB 0.544 32.219 31.700 -0.043 0.000 0.783 361 G N 1.652 110.445 108.800 -0.013 0.000 2.205 361 G HA2 -0.273 3.687 3.960 0.000 0.000 0.261 361 G HA3 -0.273 3.687 3.960 0.000 0.000 0.261 361 G C 0.330 175.228 174.900 -0.004 0.000 0.980 361 G CA 0.014 45.111 45.100 -0.005 0.000 0.632 361 G HN 0.681 nan 8.290 nan 0.000 0.533 362 V N 2.616 122.520 119.914 -0.017 0.000 2.720 362 V HA 0.467 4.588 4.120 0.000 0.000 0.307 362 V C 1.299 177.407 176.094 0.024 0.000 1.071 362 V CA 1.335 63.614 62.300 -0.034 0.000 1.199 362 V CB 0.874 32.646 31.823 -0.086 0.000 0.900 362 V HN 1.079 nan 8.190 nan 0.000 0.494 363 T N 4.720 119.307 114.554 0.054 0.000 2.927 363 T HA 0.782 5.132 4.350 0.000 0.000 0.281 363 T C 0.136 174.916 174.700 0.134 0.000 0.998 363 T CA -0.273 61.882 62.100 0.092 0.000 1.019 363 T CB 1.493 70.415 68.868 0.090 0.000 1.061 363 T HN 1.417 nan 8.240 nan 0.000 0.518 364 A N 0.368 123.241 122.820 0.089 0.000 2.466 364 A HA 0.670 4.990 4.320 0.000 0.000 0.238 364 A C 0.958 178.537 177.584 -0.008 0.000 1.074 364 A CA 0.331 52.398 52.037 0.050 0.000 0.774 364 A CB -0.841 18.183 19.000 0.040 0.000 1.015 364 A HN 2.002 nan 8.150 nan 0.000 0.498 365 G N -0.722 107.989 108.800 -0.149 0.000 2.356 365 G HA2 0.460 4.420 3.960 0.000 0.000 0.300 365 G HA3 0.460 4.420 3.960 0.000 0.000 0.300 365 G C -0.861 173.637 174.900 -0.669 0.000 1.331 365 G CA -0.177 44.674 45.100 -0.416 0.000 0.905 365 G HN 0.996 nan 8.290 nan 0.000 0.587 366 T N 0.798 114.906 114.554 -0.743 0.000 2.792 366 T HA 0.639 4.989 4.350 0.000 0.000 0.280 366 T C -1.428 172.858 174.700 -0.690 0.000 0.990 366 T CA -0.050 61.713 62.100 -0.563 0.000 0.960 366 T CB 0.862 69.580 68.868 -0.250 0.000 0.939 366 T HN 0.406 nan 8.240 nan 0.000 0.439 367 Y N 1.751 122.032 120.300 -0.033 0.000 2.328 367 Y HA 0.481 5.031 4.550 0.000 0.000 0.336 367 Y C 0.902 176.854 175.900 0.087 0.000 0.960 367 Y CA -1.165 56.945 58.100 0.018 0.000 1.134 367 Y CB 1.250 39.718 38.460 0.012 0.000 1.166 367 Y HN 0.662 nan 8.280 nan 0.000 0.464 368 S N 0.269 116.028 115.700 0.098 0.000 2.632 368 S HA 0.117 4.587 4.470 0.000 0.000 0.267 368 S C 1.376 175.707 174.600 -0.449 0.000 1.276 368 S CA -0.093 58.054 58.200 -0.088 0.000 0.998 368 S CB 1.247 64.389 63.200 -0.098 0.000 0.953 368 S HN 0.815 nan 8.310 nan 0.000 0.547 369 S N 1.383 116.537 115.700 -0.910 0.000 2.441 369 S HA -0.142 4.328 4.470 0.000 0.000 0.242 369 S C 1.460 175.628 174.600 -0.721 0.000 1.018 369 S CA 1.428 58.671 58.200 -1.595 0.000 0.988 369 S CB -1.023 61.651 63.200 -0.876 0.000 0.778 369 S HN 0.681 nan 8.310 nan 0.000 0.498 370 S N 1.355 116.842 115.700 -0.354 0.000 2.524 370 S HA 0.201 4.672 4.470 0.000 0.000 0.216 370 S C 0.924 175.481 174.600 -0.071 0.000 0.987 370 S CA 0.198 58.303 58.200 -0.159 0.000 0.909 370 S CB 0.011 63.148 63.200 -0.105 0.000 0.781 370 S HN 0.820 nan 8.310 nan 0.000 0.521 371 S N 1.904 117.578 115.700 -0.044 0.000 2.592 371 S HA 0.225 4.696 4.470 0.000 0.000 0.271 371 S C 1.331 175.972 174.600 0.068 0.000 1.326 371 S CA -0.111 58.113 58.200 0.041 0.000 1.024 371 S CB 1.271 64.541 63.200 0.117 0.000 0.921 371 S HN 0.309 nan 8.310 nan 0.000 0.527 372 S N 1.765 117.486 115.700 0.036 0.000 2.428 372 S HA -0.116 4.354 4.470 0.000 0.000 0.230 372 S C 1.626 176.218 174.600 -0.014 0.000 1.014 372 S CA 1.155 59.368 58.200 0.022 0.000 0.957 372 S CB -1.385 61.815 63.200 0.000 0.000 0.784 372 S HN 0.790 nan 8.310 nan 0.000 0.499 373 T N 1.955 116.456 114.554 -0.088 0.000 2.708 373 T HA -0.034 4.316 4.350 0.000 0.000 0.266 373 T C 1.252 175.832 174.700 -0.201 0.000 1.037 373 T CA 1.481 63.409 62.100 -0.287 0.000 1.146 373 T CB -0.655 67.759 68.868 -0.756 0.000 0.865 373 T HN 0.476 nan 8.240 nan 0.000 0.435 374 F N 2.259 122.092 119.950 -0.195 0.000 2.091 374 F HA -0.203 4.325 4.527 0.000 0.000 0.299 374 F C 2.396 178.154 175.800 -0.069 0.000 1.103 374 F CA 1.592 59.525 58.000 -0.111 0.000 1.228 374 F CB -0.877 38.111 39.000 -0.020 0.000 0.984 374 F HN 0.085 nan 8.300 nan 0.000 0.477 375 T N 0.234 114.940 114.554 0.253 0.000 2.777 375 T HA -0.207 4.143 4.350 0.000 0.000 0.266 375 T C 1.833 176.553 174.700 0.032 0.000 1.040 375 T CA 1.388 63.587 62.100 0.164 0.000 1.141 375 T CB -0.561 68.397 68.868 0.149 0.000 0.868 375 T HN 0.266 nan 8.240 nan 0.000 0.444 376 N N 1.319 120.009 118.700 -0.017 0.000 2.069 376 N HA -0.056 4.684 4.740 0.000 0.000 0.191 376 N C 1.782 177.256 175.510 -0.060 0.000 1.031 376 N CA 1.306 54.329 53.050 -0.045 0.000 0.852 376 N CB -0.451 37.989 38.487 -0.078 0.000 1.018 376 N HN 0.406 nan 8.380 nan 0.000 0.423 377 I N 0.242 120.740 120.570 -0.120 0.000 2.113 377 I HA -0.226 3.944 4.170 0.000 0.000 0.238 377 I C 2.414 178.501 176.117 -0.049 0.000 1.070 377 I CA 0.854 62.091 61.300 -0.106 0.000 1.332 377 I CB -0.245 37.618 38.000 -0.228 0.000 1.044 377 I HN 0.108 nan 8.210 nan 0.000 0.402 378 I N 0.925 121.407 120.570 -0.147 0.000 2.286 378 I HA -0.301 3.870 4.170 0.000 0.000 0.248 378 I C 2.189 178.368 176.117 0.102 0.000 1.115 378 I CA 1.455 62.749 61.300 -0.010 0.000 1.392 378 I CB -0.234 37.669 38.000 -0.161 0.000 1.065 378 I HN 0.271 nan 8.210 nan 0.000 0.418 379 N N 1.190 119.930 118.700 0.067 0.000 2.058 379 N HA -0.152 4.588 4.740 0.000 0.000 0.191 379 N C 1.889 177.455 175.510 0.094 0.000 1.037 379 N CA 1.729 54.832 53.050 0.089 0.000 0.848 379 N CB -0.674 37.852 38.487 0.065 0.000 1.021 379 N HN 0.447 nan 8.380 nan 0.000 0.422 380 A N 0.620 123.475 122.820 0.059 0.000 1.908 380 A HA -0.094 4.227 4.320 0.000 0.000 0.218 380 A C 2.474 180.125 177.584 0.111 0.000 1.181 380 A CA 1.467 53.529 52.037 0.041 0.000 0.627 380 A CB -0.796 18.184 19.000 -0.034 0.000 0.818 380 A HN 0.126 nan 8.150 nan 0.000 0.445 381 V N -0.205 119.817 119.914 0.180 0.000 2.427 381 V HA -0.188 3.932 4.120 0.000 0.000 0.248 381 V C 2.748 179.023 176.094 0.302 0.000 1.051 381 V CA 2.186 64.676 62.300 0.317 0.000 1.048 381 V CB -0.745 31.378 31.823 0.500 0.000 0.666 381 V HN 0.556 nan 8.190 nan 0.000 0.456 382 S N -0.173 115.681 115.700 0.255 0.000 2.368 382 S HA -0.205 4.265 4.470 0.000 0.000 0.225 382 S C 2.105 176.844 174.600 0.233 0.000 1.030 382 S CA 1.988 60.339 58.200 0.253 0.000 0.999 382 S CB -0.436 62.904 63.200 0.233 0.000 0.844 382 S HN 0.663 nan 8.310 nan 0.000 0.459 383 T N 0.962 115.633 114.554 0.196 0.000 2.746 383 T HA -0.102 4.248 4.350 0.000 0.000 0.267 383 T C 1.571 176.391 174.700 0.200 0.000 1.039 383 T CA 1.284 63.484 62.100 0.167 0.000 1.142 383 T CB -0.431 68.509 68.868 0.119 0.000 0.866 383 T HN 0.413 nan 8.240 nan 0.000 0.444 384 Y N 2.144 122.482 120.300 0.064 0.000 2.145 384 Y HA -0.051 4.499 4.550 0.001 0.000 0.286 384 Y C 2.560 178.548 175.900 0.146 0.000 1.145 384 Y CA 0.718 58.850 58.100 0.054 0.000 1.148 384 Y CB -1.038 37.477 38.460 0.091 0.000 0.981 384 Y HN 0.185 nan 8.280 nan 0.000 0.507 385 A N -0.038 122.883 122.820 0.169 0.000 1.877 385 A HA -0.203 4.118 4.320 0.000 0.000 0.216 385 A C 1.981 179.607 177.584 0.070 0.000 1.186 385 A CA 2.065 54.068 52.037 -0.056 0.000 0.620 385 A CB -0.900 17.805 19.000 -0.492 0.000 0.822 385 A HN 0.477 nan 8.150 nan 0.000 0.443 386 D N -0.386 120.137 120.400 0.206 0.000 2.178 386 D HA -0.051 4.589 4.640 0.000 0.000 0.201 386 D C 2.031 178.421 176.300 0.150 0.000 0.980 386 D CA 1.269 55.429 54.000 0.265 0.000 0.842 386 D CB -0.639 40.305 40.800 0.239 0.000 0.948 386 D HN 0.443 nan 8.370 nan 0.000 0.472 387 G N -0.378 108.456 108.800 0.056 0.000 2.422 387 G HA2 -0.252 3.709 3.960 0.000 0.000 0.218 387 G HA3 -0.252 3.709 3.960 0.000 0.000 0.218 387 G C 1.377 176.182 174.900 -0.157 0.000 1.146 387 G CA 0.245 45.296 45.100 -0.082 0.000 0.769 387 G HN 0.208 nan 8.290 nan 0.000 0.547 388 F N 0.470 120.382 119.950 -0.064 0.000 2.163 388 F HA 0.174 4.702 4.527 0.000 0.000 0.297 388 F C 2.625 178.467 175.800 0.071 0.000 1.094 388 F CA 0.479 58.451 58.000 -0.047 0.000 1.290 388 F CB -0.295 38.638 39.000 -0.111 0.000 1.017 388 F HN -0.003 nan 8.300 nan 0.000 0.483 389 L N -0.930 120.509 121.223 0.360 0.000 1.990 389 L HA -0.289 4.051 4.340 0.000 0.000 0.213 389 L C 2.494 179.446 176.870 0.137 0.000 1.072 389 L CA 1.676 56.764 54.840 0.414 0.000 0.755 389 L CB -0.947 41.390 42.059 0.464 0.000 0.889 389 L HN 0.087 nan 8.230 nan 0.000 0.432 390 S N -0.794 114.925 115.700 0.032 0.000 2.402 390 S HA -0.196 4.275 4.470 0.000 0.000 0.229 390 S C 1.771 176.251 174.600 -0.200 0.000 1.021 390 S CA 1.266 59.392 58.200 -0.123 0.000 0.974 390 S CB -0.088 63.072 63.200 -0.067 0.000 0.800 390 S HN 0.360 nan 8.310 nan 0.000 0.484 391 E N 2.063 122.188 120.200 -0.125 0.000 2.051 391 E HA -0.043 4.307 4.350 0.000 0.000 0.192 391 E C 2.004 178.497 176.600 -0.179 0.000 0.991 391 E CA 1.418 57.746 56.400 -0.120 0.000 0.799 391 E CB -0.507 29.172 29.700 -0.036 0.000 0.748 391 E HN 0.380 nan 8.360 nan 0.000 0.449 392 A N 0.837 123.562 122.820 -0.158 0.000 1.898 392 A HA -0.003 4.317 4.320 0.000 0.000 0.216 392 A C 2.467 179.853 177.584 -0.329 0.000 1.181 392 A CA 2.012 53.867 52.037 -0.304 0.000 0.620 392 A CB -1.104 17.682 19.000 -0.356 0.000 0.819 392 A HN 0.391 nan 8.150 nan 0.000 0.442 393 A N 0.163 122.714 122.820 -0.447 0.000 1.948 393 A HA -0.240 4.081 4.320 0.000 0.000 0.220 393 A C 2.033 179.298 177.584 -0.532 0.000 1.177 393 A CA 2.006 53.563 52.037 -0.800 0.000 0.636 393 A CB -0.561 17.563 19.000 -1.461 0.000 0.815 393 A HN 0.577 nan 8.150 nan 0.000 0.449 394 K N -1.819 118.231 120.400 -0.583 0.000 2.173 394 K HA -0.204 4.116 4.320 0.000 0.000 0.207 394 K C 0.510 176.589 176.600 -0.868 0.000 1.046 394 K CA 1.865 57.684 56.287 -0.780 0.000 0.929 394 K CB -0.308 31.485 32.500 -1.179 0.000 0.720 394 K HN 0.723 nan 8.250 nan 0.000 0.453 395 Y N -0.564 119.532 120.300 -0.340 0.000 2.660 395 Y HA 0.194 4.745 4.550 0.000 0.000 0.254 395 Y C -0.113 175.705 175.900 -0.138 0.000 1.176 395 Y CA -0.669 57.233 58.100 -0.329 0.000 1.195 395 Y CB 0.528 38.571 38.460 -0.695 0.000 1.190 395 Y HN -0.293 nan 8.280 nan 0.000 0.535 396 V N 3.310 123.206 119.914 -0.030 0.000 2.432 396 V HA 0.271 4.391 4.120 0.000 0.000 0.275 396 V C -1.858 174.229 176.094 -0.012 0.000 1.043 396 V CA -2.059 60.236 62.300 -0.008 0.000 0.925 396 V CB 0.979 32.833 31.823 0.052 0.000 0.985 396 V HN 0.071 nan 8.190 nan 0.000 0.466 397 P HA 0.148 nan 4.420 nan 0.000 0.271 397 P C 0.741 178.039 177.300 -0.003 0.000 1.233 397 P CA -0.118 62.974 63.100 -0.013 0.000 0.789 397 P CB 0.631 32.316 31.700 -0.025 0.000 0.951 398 A N 1.827 124.646 122.820 -0.003 0.000 2.024 398 A HA -0.208 4.112 4.320 0.000 0.000 0.220 398 A C 1.575 179.163 177.584 0.006 0.000 1.164 398 A CA 2.077 54.116 52.037 0.003 0.000 0.643 398 A CB -1.216 17.783 19.000 -0.001 0.000 0.806 398 A HN 0.698 nan 8.150 nan 0.000 0.451 399 D N -1.977 118.425 120.400 0.005 0.000 2.355 399 D HA 0.212 4.853 4.640 0.000 0.000 0.218 399 D C 1.218 177.527 176.300 0.015 0.000 1.004 399 D CA 1.002 55.009 54.000 0.011 0.000 0.880 399 D CB -0.733 40.080 40.800 0.021 0.000 0.911 399 D HN 0.836 nan 8.370 nan 0.000 0.528 400 G N 0.467 109.271 108.800 0.008 0.000 2.148 400 G HA2 -0.299 3.661 3.960 0.000 0.000 0.254 400 G HA3 -0.299 3.661 3.960 0.000 0.000 0.254 400 G C 0.337 175.260 174.900 0.038 0.000 0.981 400 G CA 0.525 45.624 45.100 -0.002 0.000 0.670 400 G HN 0.851 nan 8.290 nan 0.000 0.528 401 S N -0.345 115.385 115.700 0.049 0.000 2.560 401 S HA 0.582 5.052 4.470 0.000 0.000 0.284 401 S C 0.231 174.729 174.600 -0.170 0.000 1.327 401 S CA -0.333 57.911 58.200 0.073 0.000 1.055 401 S CB 1.461 64.618 63.200 -0.073 0.000 0.868 401 S HN 0.717 nan 8.310 nan 0.000 0.506 402 L N 2.748 123.794 121.223 -0.294 0.000 2.324 402 L HA 0.555 4.895 4.340 0.000 0.000 0.274 402 L C 0.726 177.265 176.870 -0.552 0.000 1.012 402 L CA -0.751 53.663 54.840 -0.711 0.000 0.859 402 L CB 0.856 42.380 42.059 -0.893 0.000 1.224 402 L HN 0.953 nan 8.230 nan 0.000 0.429 403 A N 2.254 124.840 122.820 -0.390 0.000 2.256 403 A HA 0.118 4.439 4.320 0.000 0.000 0.276 403 A C 1.258 178.751 177.584 -0.151 0.000 1.259 403 A CA 0.109 52.008 52.037 -0.231 0.000 0.813 403 A CB 0.399 19.297 19.000 -0.170 0.000 1.200 403 A HN 0.828 nan 8.150 nan 0.000 0.506 404 E N -1.098 118.931 120.200 -0.284 0.000 2.076 404 E HA -0.088 4.262 4.350 0.000 0.000 0.190 404 E C 0.207 176.412 176.600 -0.658 0.000 0.979 404 E CA 0.908 57.014 56.400 -0.490 0.000 0.807 404 E CB 0.011 29.281 29.700 -0.717 0.000 0.761 404 E HN 0.686 nan 8.360 nan 0.000 0.454 405 Q N -0.607 118.824 119.800 -0.617 0.000 2.484 405 Q HA 0.410 4.750 4.340 0.000 0.000 0.285 405 Q C -1.193 174.553 176.000 -0.424 0.000 1.097 405 Q CA -0.932 54.423 55.803 -0.745 0.000 0.802 405 Q CB 2.010 30.224 28.738 -0.873 0.000 1.444 405 Q HN 0.076 nan 8.270 nan 0.000 0.429 406 F N -2.008 117.529 119.950 -0.688 0.000 2.563 406 F HA 0.480 5.008 4.527 0.000 0.000 0.316 406 F C -0.442 175.028 175.800 -0.549 0.000 1.076 406 F CA -1.483 56.172 58.000 -0.576 0.000 0.921 406 F CB 0.930 39.541 39.000 -0.650 0.000 1.209 406 F HN 0.419 nan 8.300 nan 0.000 0.462 407 D N 2.070 122.282 120.400 -0.313 0.000 2.493 407 D HA 0.083 4.723 4.640 0.000 0.000 0.240 407 D C 1.552 177.578 176.300 -0.458 0.000 1.142 407 D CA 0.027 53.815 54.000 -0.352 0.000 0.872 407 D CB 0.979 41.644 40.800 -0.226 0.000 1.173 407 D HN 0.750 nan 8.370 nan 0.000 0.467 408 R N 2.931 123.132 120.500 -0.499 0.000 2.159 408 R HA -0.162 4.178 4.340 0.000 0.000 0.237 408 R C 0.627 176.754 176.300 -0.287 0.000 1.131 408 R CA 1.025 56.785 56.100 -0.566 0.000 0.982 408 R CB -0.216 29.807 30.300 -0.462 0.000 0.868 408 R HN 0.373 nan 8.270 nan 0.000 0.453 409 N N 0.608 119.183 118.700 -0.208 0.000 2.513 409 N HA -0.053 4.687 4.740 0.000 0.000 0.196 409 N C 1.718 177.149 175.510 -0.131 0.000 1.041 409 N CA 1.614 54.590 53.050 -0.124 0.000 0.916 409 N CB 0.110 38.548 38.487 -0.081 0.000 1.172 409 N HN 0.369 nan 8.380 nan 0.000 0.444 410 S N -0.684 114.929 115.700 -0.145 0.000 2.503 410 S HA 0.242 4.712 4.470 0.000 0.000 0.217 410 S C 1.461 175.962 174.600 -0.165 0.000 0.999 410 S CA 0.654 58.789 58.200 -0.108 0.000 0.914 410 S CB 0.333 63.489 63.200 -0.072 0.000 0.782 410 S HN 0.422 nan 8.310 nan 0.000 0.520 411 G N 2.040 110.640 108.800 -0.334 0.000 2.166 411 G HA2 -0.297 3.663 3.960 0.000 0.000 0.260 411 G HA3 -0.297 3.663 3.960 0.000 0.000 0.260 411 G C 0.235 175.057 174.900 -0.131 0.000 0.986 411 G CA 0.608 45.392 45.100 -0.527 0.000 0.683 411 G HN 1.192 nan 8.290 nan 0.000 0.527 412 T N -0.730 113.777 114.554 -0.079 0.000 2.913 412 T HA 0.561 4.911 4.350 0.000 0.000 0.297 412 T C -2.173 172.502 174.700 -0.042 0.000 1.029 412 T CA -1.428 60.655 62.100 -0.028 0.000 1.104 412 T CB 2.004 70.845 68.868 -0.045 0.000 0.964 412 T HN 0.073 nan 8.240 nan 0.000 0.532 413 P HA 0.379 nan 4.420 nan 0.000 0.268 413 P C -0.742 176.465 177.300 -0.155 0.000 1.204 413 P CA -0.254 62.829 63.100 -0.029 0.000 0.768 413 P CB 0.401 32.086 31.700 -0.024 0.000 0.842 414 L N 1.336 122.401 121.223 -0.263 0.000 2.303 414 L HA 0.610 4.950 4.340 0.000 0.000 0.256 414 L C 0.744 177.233 176.870 -0.634 0.000 1.034 414 L CA -0.857 53.732 54.840 -0.420 0.000 0.832 414 L CB 1.699 43.493 42.059 -0.442 0.000 1.403 414 L HN 0.496 nan 8.230 nan 0.000 0.419 415 S N 0.171 115.313 115.700 -0.930 0.000 3.486 415 S HA -0.204 4.266 4.470 0.000 0.000 0.632 415 S C 0.039 174.244 174.600 -0.659 0.000 2.553 415 S CA 0.185 57.699 58.200 -1.143 0.000 2.974 415 S CB -1.008 61.394 63.200 -1.330 0.000 0.320 415 S HN 1.489 nan 8.310 nan 0.000 1.613 416 A N 1.605 124.012 122.820 -0.689 0.000 2.567 416 A HA 0.408 4.728 4.320 0.000 0.000 0.240 416 A C 0.522 177.917 177.584 -0.315 0.000 1.053 416 A CA 0.410 52.120 52.037 -0.544 0.000 0.755 416 A CB -0.582 17.935 19.000 -0.804 0.000 0.978 416 A HN 0.704 nan 8.150 nan 0.000 0.507 417 L N 2.888 123.990 121.223 -0.202 0.000 2.436 417 L HA 0.201 4.541 4.340 0.000 0.000 0.265 417 L C 0.536 177.387 176.870 -0.031 0.000 1.168 417 L CA -0.494 54.235 54.840 -0.184 0.000 0.815 417 L CB 0.215 42.183 42.059 -0.152 0.000 1.109 417 L HN 0.866 nan 8.230 nan 0.000 0.462 418 H N 0.870 119.964 119.070 0.041 0.000 2.592 418 H HA -0.176 4.380 4.556 0.000 0.000 0.323 418 H C -0.282 175.175 175.328 0.215 0.000 1.117 418 H CA 0.114 56.298 56.048 0.227 0.000 1.120 418 H CB -1.143 28.785 29.762 0.276 0.000 1.561 418 H HN 0.287 nan 8.280 nan 0.000 0.409 419 L N 1.182 122.463 121.223 0.097 0.000 2.477 419 L HA 0.026 4.366 4.340 0.000 0.000 0.272 419 L C 1.469 178.483 176.870 0.240 0.000 1.157 419 L CA 0.517 55.452 54.840 0.159 0.000 0.889 419 L CB 0.806 42.906 42.059 0.069 0.000 1.158 419 L HN 0.283 nan 8.230 nan 0.000 0.473 420 T N 4.033 118.803 114.554 0.361 0.000 2.720 420 T HA -0.219 4.132 4.350 0.000 0.000 0.268 420 T C 1.223 176.170 174.700 0.411 0.000 1.037 420 T CA 1.597 63.937 62.100 0.400 0.000 1.144 420 T CB -0.412 68.615 68.868 0.265 0.000 0.864 420 T HN 0.781 nan 8.240 nan 0.000 0.444 421 W N 2.402 123.807 121.300 0.176 0.000 2.363 421 W HA -0.081 4.579 4.660 0.000 0.000 0.296 421 W C 2.367 179.008 176.519 0.203 0.000 1.212 421 W CA 0.676 58.132 57.345 0.184 0.000 1.260 421 W CB -1.103 28.471 29.460 0.192 0.000 1.131 421 W HN 0.221 nan 8.180 nan 0.000 0.530 422 S N 0.043 115.924 115.700 0.301 0.000 2.365 422 S HA -0.275 4.195 4.470 0.000 0.000 0.225 422 S C 1.631 176.343 174.600 0.187 0.000 1.039 422 S CA 2.030 60.326 58.200 0.160 0.000 1.033 422 S CB -1.013 62.114 63.200 -0.121 0.000 0.887 422 S HN 0.272 nan 8.310 nan 0.000 0.447 423 Y N 1.669 122.125 120.300 0.259 0.000 2.145 423 Y HA -0.088 4.462 4.550 0.000 0.000 0.286 423 Y C 2.733 178.761 175.900 0.213 0.000 1.145 423 Y CA 0.483 58.696 58.100 0.187 0.000 1.148 423 Y CB -1.168 37.350 38.460 0.096 0.000 0.981 423 Y HN 0.260 nan 8.280 nan 0.000 0.507 424 A N -0.001 123.039 122.820 0.367 0.000 1.908 424 A HA -0.242 4.078 4.320 0.000 0.000 0.218 424 A C 2.490 180.246 177.584 0.286 0.000 1.181 424 A CA 2.374 54.570 52.037 0.265 0.000 0.627 424 A CB -1.258 17.877 19.000 0.226 0.000 0.818 424 A HN 0.519 nan 8.150 nan 0.000 0.445 425 S N -1.109 114.843 115.700 0.420 0.000 2.399 425 S HA -0.191 4.279 4.470 0.000 0.000 0.231 425 S C 1.825 176.496 174.600 0.119 0.000 1.022 425 S CA 1.469 59.906 58.200 0.394 0.000 0.983 425 S CB -0.745 62.784 63.200 0.548 0.000 0.803 425 S HN 0.620 nan 8.310 nan 0.000 0.480 426 F N 2.358 122.213 119.950 -0.158 0.000 2.113 426 F HA 0.129 4.656 4.527 0.000 0.000 0.297 426 F C 1.933 177.558 175.800 -0.293 0.000 1.103 426 F CA 1.165 58.790 58.000 -0.625 0.000 1.248 426 F CB -0.375 38.325 39.000 -0.499 0.000 0.999 426 F HN 0.142 nan 8.300 nan 0.000 0.475 427 L N 0.146 121.296 121.223 -0.122 0.000 2.017 427 L HA -0.216 4.124 4.340 0.000 0.000 0.208 427 L C 2.713 179.458 176.870 -0.208 0.000 1.073 427 L CA 1.937 56.679 54.840 -0.163 0.000 0.745 427 L CB -1.353 40.722 42.059 0.027 0.000 0.894 427 L HN 0.374 nan 8.230 nan 0.000 0.432 428 T N -2.417 112.076 114.554 -0.102 0.000 2.737 428 T HA -0.136 4.214 4.350 0.000 0.000 0.265 428 T C 1.976 176.603 174.700 -0.122 0.000 1.038 428 T CA 0.976 63.033 62.100 -0.071 0.000 1.144 428 T CB -0.464 68.410 68.868 0.010 0.000 0.866 428 T HN 0.293 nan 8.240 nan 0.000 0.434 429 A N 2.222 124.955 122.820 -0.145 0.000 1.902 429 A HA -0.067 4.253 4.320 0.000 0.000 0.217 429 A C 2.770 180.246 177.584 -0.180 0.000 1.181 429 A CA 2.587 54.578 52.037 -0.077 0.000 0.623 429 A CB -1.537 17.456 19.000 -0.012 0.000 0.818 429 A HN 0.787 nan 8.150 nan 0.000 0.443 430 T N -2.315 111.980 114.554 -0.432 0.000 2.904 430 T HA 0.179 4.529 4.350 0.000 0.000 0.267 430 T C 1.977 176.476 174.700 -0.335 0.000 1.059 430 T CA 1.389 63.205 62.100 -0.474 0.000 1.137 430 T CB -0.574 67.854 68.868 -0.733 0.000 0.879 430 T HN 0.567 nan 8.240 nan 0.000 0.467 431 A N 2.656 125.321 122.820 -0.258 0.000 1.892 431 A HA -0.159 4.161 4.320 0.000 0.000 0.218 431 A C 2.589 180.088 177.584 -0.143 0.000 1.188 431 A CA 1.432 53.374 52.037 -0.158 0.000 0.631 431 A CB -0.536 18.401 19.000 -0.104 0.000 0.822 431 A HN 0.356 nan 8.150 nan 0.000 0.447 432 R N -0.694 119.719 120.500 -0.145 0.000 2.092 432 R HA -0.086 4.254 4.340 0.000 0.000 0.231 432 R C 2.281 178.474 176.300 -0.178 0.000 1.119 432 R CA 1.441 57.471 56.100 -0.115 0.000 0.970 432 R CB -0.829 29.427 30.300 -0.073 0.000 0.864 432 R HN 0.706 nan 8.270 nan 0.000 0.440 433 R N 0.805 121.016 120.500 -0.482 0.000 2.105 433 R HA -0.061 4.279 4.340 0.000 0.000 0.239 433 R C 1.766 177.881 176.300 -0.308 0.000 1.135 433 R CA 1.553 57.171 56.100 -0.804 0.000 0.967 433 R CB -0.149 29.404 30.300 -1.245 0.000 0.861 433 R HN 0.198 nan 8.270 nan 0.000 0.442 434 A N -0.422 122.274 122.820 -0.207 0.000 2.206 434 A HA 0.165 4.486 4.320 0.000 0.000 0.211 434 A C 1.366 178.951 177.584 0.002 0.000 1.158 434 A CA 0.852 52.836 52.037 -0.087 0.000 0.761 434 A CB -0.210 18.739 19.000 -0.084 0.000 0.801 434 A HN 0.596 nan 8.150 nan 0.000 0.473 435 G N -1.054 107.766 108.800 0.034 0.000 2.136 435 G HA2 -0.217 3.743 3.960 0.000 0.000 0.242 435 G HA3 -0.217 3.743 3.960 0.000 0.000 0.242 435 G C 0.029 174.997 174.900 0.114 0.000 0.989 435 G CA 0.229 45.441 45.100 0.188 0.000 0.682 435 G HN 0.474 nan 8.290 nan 0.000 0.522 436 I N 1.364 121.939 120.570 0.010 0.000 2.312 436 I HA 0.468 4.638 4.170 0.000 0.000 0.291 436 I C 0.918 177.003 176.117 -0.054 0.000 1.031 436 I CA -0.910 60.386 61.300 -0.007 0.000 1.293 436 I CB 1.282 39.277 38.000 -0.009 0.000 1.403 436 I HN 0.180 nan 8.210 nan 0.000 0.484 437 V N 5.313 125.178 119.914 -0.082 0.000 2.881 437 V HA 0.719 4.839 4.120 0.000 0.000 0.316 437 V C -2.383 173.700 176.094 -0.019 0.000 1.070 437 V CA -1.926 60.322 62.300 -0.087 0.000 0.976 437 V CB 1.226 32.867 31.823 -0.302 0.000 1.038 437 V HN 0.513 nan 8.190 nan 0.000 0.446 438 P HA 0.436 nan 4.420 nan 0.000 0.276 438 P C -2.828 174.489 177.300 0.027 0.000 1.261 438 P CA -1.562 61.567 63.100 0.049 0.000 0.800 438 P CB -0.502 31.254 31.700 0.094 0.000 1.066 439 P HA 0.070 nan 4.420 nan 0.000 0.266 439 P C -0.052 177.289 177.300 0.067 0.000 1.195 439 P CA 0.420 63.563 63.100 0.072 0.000 0.768 439 P CB 0.063 31.832 31.700 0.116 0.000 0.838 440 S N 2.485 118.194 115.700 0.015 0.000 2.562 440 S HA 0.069 4.539 4.470 0.000 0.000 0.281 440 S C 0.833 175.471 174.600 0.064 0.000 1.333 440 S CA -0.435 57.744 58.200 -0.036 0.000 1.052 440 S CB 0.055 63.190 63.200 -0.108 0.000 0.884 440 S HN 0.685 nan 8.310 nan 0.000 0.506 441 W N 0.742 122.009 121.300 -0.055 0.000 2.871 441 W HA 0.642 5.303 4.660 0.000 0.000 0.340 441 W C -0.324 176.167 176.519 -0.046 0.000 1.058 441 W CA -0.162 57.159 57.345 -0.041 0.000 1.633 441 W CB -0.247 29.187 29.460 -0.043 0.000 1.067 441 W HN 0.619 nan 8.180 nan 0.000 0.554 442 A N 2.498 124.953 122.820 -0.608 0.000 2.549 442 A HA 0.555 4.875 4.320 0.000 0.000 0.297 442 A C -0.972 176.370 177.584 -0.403 0.000 1.061 442 A CA -0.660 50.972 52.037 -0.676 0.000 0.690 442 A CB 1.198 19.332 19.000 -1.443 0.000 1.287 442 A HN 0.216 nan 8.150 nan 0.000 0.402 443 N N -0.556 117.990 118.700 -0.258 0.000 2.741 443 N HA 0.418 5.158 4.740 0.000 0.000 0.310 443 N C 0.895 176.312 175.510 -0.154 0.000 1.295 443 N CA -0.060 52.885 53.050 -0.175 0.000 0.893 443 N CB 0.513 38.938 38.487 -0.102 0.000 1.247 443 N HN 0.627 nan 8.380 nan 0.000 0.596 444 S N -1.191 114.450 115.700 -0.099 0.000 2.440 444 S HA -0.237 4.233 4.470 0.000 0.000 0.238 444 S C 1.670 176.247 174.600 -0.039 0.000 1.010 444 S CA 1.203 59.364 58.200 -0.066 0.000 0.972 444 S CB -1.184 61.992 63.200 -0.041 0.000 0.774 444 S HN 0.728 nan 8.310 nan 0.000 0.501 445 S N 2.915 118.595 115.700 -0.034 0.000 2.374 445 S HA -0.046 4.424 4.470 0.000 0.000 0.227 445 S C 1.974 176.587 174.600 0.023 0.000 1.037 445 S CA 0.971 59.169 58.200 -0.004 0.000 1.024 445 S CB -1.067 62.133 63.200 -0.001 0.000 0.861 445 S HN 0.887 nan 8.310 nan 0.000 0.456 446 A N 1.161 123.981 122.820 0.001 0.000 2.239 446 A HA 0.218 4.538 4.320 0.000 0.000 0.209 446 A C 2.171 179.854 177.584 0.164 0.000 1.171 446 A CA 1.109 53.197 52.037 0.086 0.000 0.768 446 A CB -0.639 18.334 19.000 -0.046 0.000 0.790 446 A HN 0.871 nan 8.150 nan 0.000 0.478 447 S N -1.991 113.741 115.700 0.053 0.000 2.559 447 S HA 0.099 4.569 4.470 0.000 0.000 0.226 447 S C 0.442 175.057 174.600 0.024 0.000 1.000 447 S CA 0.092 58.319 58.200 0.044 0.000 0.948 447 S CB -0.377 62.825 63.200 0.004 0.000 0.870 447 S HN 0.206 nan 8.310 nan 0.000 0.497 448 T N 3.758 118.329 114.554 0.028 0.000 2.799 448 T HA 0.376 4.726 4.350 0.000 0.000 0.296 448 T C -0.058 174.652 174.700 0.016 0.000 0.947 448 T CA 0.083 62.195 62.100 0.020 0.000 1.141 448 T CB 0.077 68.958 68.868 0.022 0.000 0.891 448 T HN 0.315 nan 8.240 nan 0.000 0.533 449 I N 6.034 126.610 120.570 0.011 0.000 2.315 449 I HA 0.272 4.442 4.170 0.000 0.000 0.291 449 I C -1.781 174.350 176.117 0.023 0.000 1.006 449 I CA -2.391 58.914 61.300 0.009 0.000 1.265 449 I CB 0.883 38.890 38.000 0.011 0.000 1.387 449 I HN 0.379 nan 8.210 nan 0.000 0.475 450 P HA 0.106 nan 4.420 nan 0.000 0.268 450 P C 0.547 177.871 177.300 0.041 0.000 1.208 450 P CA -0.075 63.046 63.100 0.036 0.000 0.777 450 P CB 0.652 32.378 31.700 0.043 0.000 0.875 451 S N -0.611 115.112 115.700 0.038 0.000 2.419 451 S HA -0.036 4.434 4.470 0.000 0.000 0.233 451 S C 0.705 175.334 174.600 0.048 0.000 1.016 451 S CA 1.305 59.529 58.200 0.039 0.000 0.974 451 S CB -0.415 62.805 63.200 0.033 0.000 0.786 451 S HN 0.712 nan 8.310 nan 0.000 0.492 452 T N 0.067 114.653 114.554 0.053 0.000 2.900 452 T HA 0.516 4.866 4.350 0.000 0.000 0.295 452 T C -0.673 174.075 174.700 0.081 0.000 1.044 452 T CA -0.864 61.274 62.100 0.064 0.000 0.995 452 T CB 1.334 70.235 68.868 0.054 0.000 1.072 452 T HN 0.075 nan 8.240 nan 0.000 0.473 453 c N 2.549 121.211 118.600 0.104 0.000 2.307 453 c HA 0.579 5.149 4.570 0.000 0.000 0.340 453 c C 1.970 176.135 174.090 0.125 0.000 1.275 453 c CA -0.562 55.852 56.329 0.142 0.000 1.811 453 c CB 0.006 42.641 42.510 0.208 0.000 2.372 453 c HN 1.110 nan 8.230 nan 0.000 0.531 454 S N 1.260 117.039 115.700 0.132 0.000 2.503 454 S HA 0.266 4.736 4.470 0.000 0.000 0.215 454 S C 1.418 176.085 174.600 0.112 0.000 1.003 454 S CA 0.695 58.956 58.200 0.102 0.000 0.910 454 S CB -0.226 63.027 63.200 0.089 0.000 0.790 454 S HN 1.955 nan 8.310 nan 0.000 0.514 455 G N 1.584 110.512 108.800 0.214 0.000 2.221 455 G HA2 -0.097 3.864 3.960 0.000 0.000 0.265 455 G HA3 -0.097 3.864 3.960 0.000 0.000 0.265 455 G C 0.247 175.263 174.900 0.193 0.000 1.041 455 G CA 0.036 45.244 45.100 0.181 0.000 0.807 455 G HN 1.294 nan 8.290 nan 0.000 0.502 456 A N -0.187 122.827 122.820 0.323 0.000 2.477 456 A HA 0.736 5.056 4.320 0.000 0.000 0.246 456 A C 0.863 178.674 177.584 0.379 0.000 1.078 456 A CA 1.058 53.237 52.037 0.237 0.000 0.770 456 A CB 0.462 19.568 19.000 0.178 0.000 1.011 456 A HN 2.135 nan 8.150 nan 0.000 0.494 457 S N 0.532 116.346 115.700 0.191 0.000 2.618 457 S HA 0.756 5.226 4.470 0.000 0.000 0.277 457 S C -1.066 173.577 174.600 0.071 0.000 1.138 457 S CA -0.669 57.641 58.200 0.183 0.000 0.844 457 S CB 1.649 64.835 63.200 -0.023 0.000 1.127 457 S HN 1.033 nan 8.310 nan 0.000 0.474 458 V N 1.713 121.661 119.914 0.056 0.000 2.525 458 V HA 0.427 4.547 4.120 0.000 0.000 0.299 458 V C -0.471 175.606 176.094 -0.027 0.000 1.034 458 V CA -0.798 61.507 62.300 0.008 0.000 0.863 458 V CB 1.773 33.603 31.823 0.011 0.000 0.999 458 V HN 0.867 nan 8.190 nan 0.000 0.423 459 V N 4.574 124.459 119.914 -0.049 0.000 2.479 459 V HA 0.488 4.608 4.120 0.000 0.000 0.281 459 V C 1.069 177.141 176.094 -0.036 0.000 1.031 459 V CA 0.537 62.809 62.300 -0.047 0.000 1.038 459 V CB 0.874 32.673 31.823 -0.040 0.000 0.981 459 V HN 0.983 nan 8.190 nan 0.000 0.478 460 G N 3.389 112.167 108.800 -0.036 0.000 2.521 460 G HA2 0.527 4.487 3.960 0.000 0.000 0.323 460 G HA3 0.527 4.487 3.960 0.000 0.000 0.323 460 G C -0.531 174.155 174.900 -0.357 0.000 1.211 460 G CA -0.492 44.478 45.100 -0.216 0.000 0.979 460 G HN 0.603 nan 8.290 nan 0.000 0.490 461 S N -0.744 114.692 115.700 -0.441 0.000 2.489 461 S HA 0.589 5.059 4.470 0.000 0.000 0.291 461 S C -1.467 172.804 174.600 -0.549 0.000 1.151 461 S CA -0.227 57.776 58.200 -0.329 0.000 1.082 461 S CB 0.592 63.714 63.200 -0.131 0.000 1.019 461 S HN 0.371 nan 8.310 nan 0.000 0.492 462 Y N 1.411 121.744 120.300 0.054 0.000 2.350 462 Y HA 0.508 5.059 4.550 0.000 0.000 0.338 462 Y C 0.385 176.302 175.900 0.028 0.000 0.961 462 Y CA -0.768 57.360 58.100 0.047 0.000 1.100 462 Y CB 1.744 40.247 38.460 0.072 0.000 1.179 462 Y HN 0.611 nan 8.280 nan 0.000 0.454 463 S N 2.875 118.655 115.700 0.133 0.000 2.536 463 S HA 0.550 5.020 4.470 0.000 0.000 0.287 463 S C -0.848 173.786 174.600 0.057 0.000 1.101 463 S CA -1.245 57.002 58.200 0.079 0.000 0.950 463 S CB 1.796 65.022 63.200 0.042 0.000 1.056 463 S HN 0.774 nan 8.310 nan 0.000 0.481 464 R N 1.987 122.511 120.500 0.040 0.000 2.480 464 R HA 0.218 4.559 4.340 0.000 0.000 0.303 464 R C -2.374 173.924 176.300 -0.003 0.000 0.985 464 R CA -0.870 55.237 56.100 0.012 0.000 1.051 464 R CB -0.309 29.995 30.300 0.006 0.000 0.935 464 R HN 0.442 nan 8.270 nan 0.000 0.410 465 P HA 0.035 nan 4.420 nan 0.000 0.272 465 P C -0.013 177.269 177.300 -0.031 0.000 1.223 465 P CA -0.132 62.950 63.100 -0.032 0.000 0.784 465 P CB 1.220 32.888 31.700 -0.055 0.000 0.923 466 T N -2.178 112.360 114.554 -0.028 0.000 3.019 466 T HA 0.311 4.661 4.350 0.000 0.000 0.247 466 T C 0.817 175.496 174.700 -0.036 0.000 0.992 466 T CA 0.032 62.116 62.100 -0.026 0.000 1.036 466 T CB -0.353 68.507 68.868 -0.014 0.000 1.063 466 T HN 0.399 nan 8.240 nan 0.000 0.476 467 A N 2.647 125.439 122.820 -0.048 0.000 2.404 467 A HA 0.527 4.847 4.320 0.000 0.000 0.273 467 A C 1.074 178.608 177.584 -0.082 0.000 1.144 467 A CA 0.115 52.111 52.037 -0.069 0.000 0.806 467 A CB -0.165 18.780 19.000 -0.093 0.000 1.080 467 A HN 0.592 nan 8.150 nan 0.000 0.509 468 T N -0.924 113.593 114.554 -0.061 0.000 3.252 468 T HA 0.450 4.800 4.350 0.000 0.000 0.286 468 T C 0.128 174.828 174.700 -0.000 0.000 1.013 468 T CA 0.309 62.386 62.100 -0.038 0.000 0.914 468 T CB -0.777 68.072 68.868 -0.032 0.000 1.131 468 T HN 1.325 nan 8.240 nan 0.000 0.529 469 S N 0.233 115.919 115.700 -0.023 0.000 2.536 469 S HA 0.770 5.240 4.470 0.000 0.000 0.271 469 S C -1.359 173.240 174.600 -0.003 0.000 1.134 469 S CA -0.877 57.355 58.200 0.054 0.000 0.897 469 S CB 1.088 64.310 63.200 0.037 0.000 1.094 469 S HN 0.117 nan 8.310 nan 0.000 0.473 470 F N 1.749 121.699 119.950 0.001 0.000 2.397 470 F HA 0.623 5.150 4.527 0.000 0.000 0.331 470 F C -2.011 173.800 175.800 0.020 0.000 1.090 470 F CA -1.836 56.175 58.000 0.019 0.000 1.065 470 F CB 0.675 39.688 39.000 0.022 0.000 1.184 470 F HN 0.406 nan 8.300 nan 0.000 0.499 471 P HA 0.115 nan 4.420 nan 0.000 0.269 471 P C -2.490 174.889 177.300 0.132 0.000 1.209 471 P CA -0.804 62.370 63.100 0.123 0.000 0.776 471 P CB -0.209 31.557 31.700 0.110 0.000 0.876 472 P HA -0.011 nan 4.420 nan 0.000 0.272 472 P C -0.332 177.026 177.300 0.096 0.000 1.230 472 P CA 0.079 63.234 63.100 0.092 0.000 0.788 472 P CB 0.339 32.084 31.700 0.077 0.000 0.949 473 S N -0.846 114.916 115.700 0.104 0.000 3.641 473 S HA -0.172 4.298 4.470 0.000 0.000 0.346 473 S C 0.263 174.940 174.600 0.128 0.000 1.074 473 S CA 0.635 58.911 58.200 0.127 0.000 1.026 473 S CB -2.013 61.256 63.200 0.115 0.000 0.908 473 S HN 0.626 nan 8.310 nan 0.000 0.479 474 Q N 2.010 121.849 119.800 0.065 0.000 3.004 474 Q HA 0.121 4.461 4.340 0.000 0.000 0.256 474 Q C 1.044 177.136 176.000 0.152 0.000 1.387 474 Q CA 0.318 56.018 55.803 -0.172 0.000 0.962 474 Q CB -0.352 28.044 28.738 -0.569 0.000 1.676 474 Q HN 0.720 nan 8.270 nan 0.000 0.568 475 T N -1.250 113.443 114.554 0.231 0.000 2.828 475 T HA 0.392 4.742 4.350 0.000 0.000 0.290 475 T C -2.011 172.762 174.700 0.120 0.000 1.019 475 T CA -1.663 60.471 62.100 0.057 0.000 1.031 475 T CB 0.937 69.805 68.868 0.001 0.000 1.001 475 T HN 0.154 nan 8.240 nan 0.000 0.531 476 P HA 0.218 nan 4.420 nan 0.000 0.274 476 P C -0.444 176.794 177.300 -0.102 0.000 1.246 476 P CA -0.695 62.353 63.100 -0.087 0.000 0.795 476 P CB 0.520 32.159 31.700 -0.101 0.000 1.006 477 K N 0.962 121.268 120.400 -0.158 0.000 2.219 477 K HA 0.386 4.707 4.320 0.000 0.000 0.258 477 K C -2.299 174.247 176.600 -0.089 0.000 1.008 477 K CA -1.622 54.584 56.287 -0.134 0.000 0.928 477 K CB -1.253 31.142 32.500 -0.175 0.000 0.983 477 K HN 0.237 nan 8.250 nan 0.000 0.484 478 P HA -0.034 nan 4.420 nan 0.000 0.267 478 P C 0.745 178.023 177.300 -0.038 0.000 1.201 478 P CA 1.011 64.085 63.100 -0.042 0.000 0.775 478 P CB 0.516 32.194 31.700 -0.036 0.000 0.854 479 G N 0.066 108.853 108.800 -0.020 0.000 2.498 479 G HA2 -0.272 3.688 3.960 0.000 0.000 0.229 479 G HA3 -0.272 3.688 3.960 0.000 0.000 0.229 479 G C 0.148 175.046 174.900 -0.003 0.000 1.156 479 G CA 0.072 45.164 45.100 -0.013 0.000 0.680 479 G HN 0.598 nan 8.290 nan 0.000 0.512 480 V N 4.237 124.145 119.914 -0.009 0.000 2.509 480 V HA 0.288 4.409 4.120 0.000 0.000 0.297 480 V C -1.131 174.987 176.094 0.041 0.000 1.014 480 V CA -0.195 62.113 62.300 0.013 0.000 1.127 480 V CB 0.663 32.488 31.823 0.004 0.000 0.925 480 V HN 0.343 nan 8.190 nan 0.000 0.480 481 P HA 0.096 nan 4.420 nan 0.000 0.260 481 P C -0.319 177.033 177.300 0.086 0.000 1.172 481 P CA 0.661 63.796 63.100 0.058 0.000 0.760 481 P CB 0.483 32.215 31.700 0.053 0.000 0.773 482 S N 1.321 117.075 115.700 0.090 0.000 2.627 482 S HA 0.881 5.351 4.470 0.000 0.000 0.283 482 S C -0.664 174.006 174.600 0.116 0.000 1.127 482 S CA -0.255 58.029 58.200 0.141 0.000 0.863 482 S CB 1.607 64.888 63.200 0.136 0.000 1.121 482 S HN 0.572 nan 8.310 nan 0.000 0.479 483 G N 0.782 109.668 108.800 0.143 0.000 2.623 483 G HA2 0.516 4.476 3.960 0.000 0.000 0.290 483 G HA3 0.516 4.476 3.960 0.000 0.000 0.290 483 G C -0.601 174.357 174.900 0.096 0.000 1.437 483 G CA -0.103 45.053 45.100 0.094 0.000 0.798 483 G HN 0.968 nan 8.290 nan 0.000 0.488 484 T N 0.098 114.691 114.554 0.065 0.000 2.900 484 T HA 0.501 4.851 4.350 0.000 0.000 0.307 484 T C -2.183 172.538 174.700 0.035 0.000 1.065 484 T CA -0.782 61.350 62.100 0.053 0.000 1.105 484 T CB 0.896 69.781 68.868 0.029 0.000 0.979 484 T HN 0.285 nan 8.240 nan 0.000 0.544 485 P HA 0.066 nan 4.420 nan 0.000 0.267 485 P C -0.724 176.594 177.300 0.031 0.000 1.201 485 P CA -0.363 62.747 63.100 0.017 0.000 0.775 485 P CB 0.086 31.795 31.700 0.014 0.000 0.854 486 Y N 1.822 122.089 120.300 -0.055 0.000 2.511 486 Y HA 0.183 4.733 4.550 0.000 0.000 0.332 486 Y C -0.078 175.795 175.900 -0.044 0.000 1.177 486 Y CA 0.783 58.852 58.100 -0.052 0.000 1.422 486 Y CB 0.247 38.667 38.460 -0.067 0.000 1.271 486 Y HN 0.223 nan 8.280 nan 0.000 0.550 487 T N 8.950 122.985 114.554 -0.866 0.000 2.812 487 T HA 0.350 4.700 4.350 0.000 0.000 0.282 487 T C -2.556 171.535 174.700 -1.016 0.000 0.990 487 T CA -1.351 60.342 62.100 -0.677 0.000 0.960 487 T CB 1.374 70.040 68.868 -0.338 0.000 0.948 487 T HN 0.466 nan 8.240 nan 0.000 0.438 488 P HA 0.166 nan 4.420 nan 0.000 0.269 488 P C -0.196 176.986 177.300 -0.197 0.000 1.217 488 P CA -0.493 62.461 63.100 -0.243 0.000 0.783 488 P CB 0.455 32.140 31.700 -0.025 0.000 0.898 489 L N 2.679 123.845 121.223 -0.095 0.000 2.461 489 L HA 0.205 4.545 4.340 0.000 0.000 0.272 489 L C -1.751 175.076 176.870 -0.072 0.000 1.197 489 L CA -1.625 53.167 54.840 -0.081 0.000 0.836 489 L CB -0.547 41.481 42.059 -0.050 0.000 1.105 489 L HN 0.304 nan 8.230 nan 0.000 0.477 490 P HA 0.237 nan 4.420 nan 0.000 0.275 490 P C -1.109 176.162 177.300 -0.049 0.000 1.228 490 P CA -0.470 62.596 63.100 -0.058 0.000 0.786 490 P CB 0.797 32.466 31.700 -0.052 0.000 0.927 491 c N 0.237 118.808 118.600 -0.047 0.000 3.213 491 c HA 0.835 5.405 4.570 0.000 0.000 0.319 491 c C 0.363 174.428 174.090 -0.042 0.000 1.386 491 c CA -0.957 55.346 56.329 -0.043 0.000 1.494 491 c CB 1.268 43.750 42.510 -0.046 0.000 1.905 491 c HN 0.670 nan 8.230 nan 0.000 0.456 492 A N 0.481 123.278 122.820 -0.039 0.000 2.386 492 A HA 0.546 4.867 4.320 0.000 0.000 0.248 492 A C 0.218 177.774 177.584 -0.046 0.000 1.082 492 A CA 0.276 52.290 52.037 -0.038 0.000 0.789 492 A CB -0.212 18.768 19.000 -0.032 0.000 1.025 492 A HN 0.876 nan 8.150 nan 0.000 0.490 493 T N 3.823 118.349 114.554 -0.046 0.000 2.749 493 T HA 0.477 4.827 4.350 0.000 0.000 0.295 493 T C -2.386 172.282 174.700 -0.054 0.000 0.936 493 T CA -0.538 61.528 62.100 -0.056 0.000 1.060 493 T CB 0.478 69.315 68.868 -0.052 0.000 0.904 493 T HN 0.512 nan 8.240 nan 0.000 0.500 494 P HA 0.205 nan 4.420 nan 0.000 0.275 494 P C 1.098 178.370 177.300 -0.048 0.000 1.227 494 P CA -0.474 62.594 63.100 -0.053 0.000 0.781 494 P CB 0.589 32.252 31.700 -0.063 0.000 0.906 495 T N -1.896 112.636 114.554 -0.036 0.000 3.043 495 T HA 0.071 4.421 4.350 0.000 0.000 0.263 495 T C 0.740 175.423 174.700 -0.028 0.000 1.094 495 T CA 0.413 62.495 62.100 -0.030 0.000 1.127 495 T CB -0.056 68.798 68.868 -0.023 0.000 0.905 495 T HN 0.350 nan 8.240 nan 0.000 0.490 496 S N -0.060 115.622 115.700 -0.029 0.000 2.536 496 S HA 0.658 5.129 4.470 0.000 0.000 0.287 496 S C -1.354 173.229 174.600 -0.029 0.000 1.101 496 S CA -0.678 57.508 58.200 -0.023 0.000 0.950 496 S CB 1.861 65.052 63.200 -0.016 0.000 1.056 496 S HN 0.218 nan 8.310 nan 0.000 0.481 497 V N 3.358 123.257 119.914 -0.025 0.000 2.531 497 V HA 0.714 4.834 4.120 0.000 0.000 0.301 497 V C 0.312 176.394 176.094 -0.019 0.000 1.034 497 V CA -0.955 61.328 62.300 -0.029 0.000 0.865 497 V CB 1.343 33.145 31.823 -0.036 0.000 0.995 497 V HN 1.071 nan 8.190 nan 0.000 0.424 498 A N 4.572 127.378 122.820 -0.024 0.000 2.444 498 A HA 0.562 4.882 4.320 0.000 0.000 0.273 498 A C -0.235 177.316 177.584 -0.054 0.000 1.136 498 A CA -0.065 51.957 52.037 -0.025 0.000 0.799 498 A CB 0.157 19.145 19.000 -0.020 0.000 1.081 498 A HN 0.755 nan 8.150 nan 0.000 0.509 499 V N 4.272 124.141 119.914 -0.075 0.000 2.313 499 V HA 0.217 4.338 4.120 0.000 0.000 0.278 499 V C 0.280 176.211 176.094 -0.271 0.000 1.017 499 V CA -0.318 61.853 62.300 -0.214 0.000 0.823 499 V CB 1.215 32.870 31.823 -0.280 0.000 1.010 499 V HN 0.887 nan 8.190 nan 0.000 0.443 500 T N 6.353 120.754 114.554 -0.255 0.000 2.738 500 T HA 0.422 4.772 4.350 0.000 0.000 0.294 500 T C -0.151 174.405 174.700 -0.240 0.000 0.914 500 T CA 0.094 62.100 62.100 -0.157 0.000 1.052 500 T CB -0.290 68.508 68.868 -0.116 0.000 0.897 500 T HN 0.270 nan 8.240 nan 0.000 0.522 501 F N 3.213 123.138 119.950 -0.041 0.000 2.456 501 F HA 0.211 4.738 4.527 0.000 0.000 0.358 501 F C 1.284 177.164 175.800 0.134 0.000 1.095 501 F CA -0.250 57.771 58.000 0.036 0.000 1.216 501 F CB 0.503 39.536 39.000 0.054 0.000 1.125 501 F HN 0.527 nan 8.300 nan 0.000 0.549 502 H N 3.266 122.436 119.070 0.167 0.000 2.917 502 H HA 0.281 4.837 4.556 0.000 0.000 0.279 502 H C -1.388 173.962 175.328 0.036 0.000 1.211 502 H CA -0.590 55.504 56.048 0.077 0.000 1.534 502 H CB 0.883 30.645 29.762 -0.001 0.000 1.581 502 H HN 0.692 nan 8.280 nan 0.000 0.510 503 E N 4.625 124.828 120.200 0.005 0.000 2.183 503 E HA 0.360 4.711 4.350 0.000 0.000 0.271 503 E C -1.205 175.379 176.600 -0.027 0.000 0.919 503 E CA -0.729 55.570 56.400 -0.168 0.000 0.781 503 E CB 1.248 30.544 29.700 -0.673 0.000 1.140 503 E HN 0.552 nan 8.360 nan 0.000 0.402 504 L N 5.036 126.262 121.223 0.005 0.000 2.264 504 L HA 0.591 4.932 4.340 0.000 0.000 0.287 504 L C -0.937 175.965 176.870 0.055 0.000 1.039 504 L CA -0.942 53.906 54.840 0.015 0.000 0.829 504 L CB 1.296 43.365 42.059 0.018 0.000 1.211 504 L HN 0.388 nan 8.230 nan 0.000 0.427 505 V N 2.986 122.924 119.914 0.039 0.000 2.752 505 V HA 0.395 4.515 4.120 0.000 0.000 0.302 505 V C -0.250 175.855 176.094 0.019 0.000 1.133 505 V CA -0.393 61.874 62.300 -0.054 0.000 0.919 505 V CB 2.584 34.254 31.823 -0.256 0.000 1.026 505 V HN 0.730 nan 8.190 nan 0.000 0.429 506 S N 4.780 120.465 115.700 -0.026 0.000 2.448 506 S HA 0.642 5.112 4.470 0.000 0.000 0.279 506 S C 0.045 174.708 174.600 0.104 0.000 1.195 506 S CA 0.226 58.515 58.200 0.150 0.000 1.051 506 S CB 0.656 63.896 63.200 0.066 0.000 0.948 506 S HN 1.404 nan 8.310 nan 0.000 0.493 507 T N 2.080 116.810 114.554 0.293 0.000 2.918 507 T HA 0.538 4.889 4.350 0.000 0.000 0.286 507 T C -0.066 174.617 174.700 -0.027 0.000 1.026 507 T CA -0.925 61.176 62.100 0.001 0.000 1.031 507 T CB 1.159 70.013 68.868 -0.023 0.000 1.046 507 T HN 0.740 nan 8.240 nan 0.000 0.479 508 Q N 0.003 119.772 119.800 -0.052 0.000 2.204 508 Q HA 0.441 4.781 4.340 0.000 0.000 0.175 508 Q C -0.339 175.659 176.000 -0.003 0.000 1.020 508 Q CA -0.972 54.831 55.803 -0.001 0.000 1.078 508 Q CB 0.481 29.236 28.738 0.029 0.000 1.228 508 Q HN 0.730 nan 8.270 nan 0.000 0.550 509 F N 0.422 120.336 119.950 -0.060 0.000 2.571 509 F HA 0.246 4.774 4.527 0.000 0.000 0.384 509 F C 1.081 176.855 175.800 -0.042 0.000 1.058 509 F CA 1.203 59.171 58.000 -0.054 0.000 1.200 509 F CB -0.107 38.871 39.000 -0.036 0.000 1.077 509 F HN 0.721 nan 8.300 nan 0.000 0.558 510 G N 3.682 112.134 108.800 -0.579 0.000 2.245 510 G HA2 -0.329 3.631 3.960 0.000 0.000 0.264 510 G HA3 -0.329 3.631 3.960 0.000 0.000 0.264 510 G C 0.378 175.079 174.900 -0.332 0.000 0.985 510 G CA 0.346 45.062 45.100 -0.640 0.000 0.625 510 G HN 0.801 nan 8.290 nan 0.000 0.536 511 Q N 1.067 120.718 119.800 -0.248 0.000 2.361 511 Q HA 0.464 4.804 4.340 0.000 0.000 0.276 511 Q C 0.091 176.041 176.000 -0.083 0.000 1.022 511 Q CA 0.941 56.637 55.803 -0.179 0.000 0.898 511 Q CB 0.545 29.168 28.738 -0.192 0.000 1.246 511 Q HN 0.367 nan 8.270 nan 0.000 0.410 512 T N 0.878 115.334 114.554 -0.162 0.000 2.912 512 T HA 0.502 4.852 4.350 0.000 0.000 0.288 512 T C -0.609 173.777 174.700 -0.522 0.000 1.030 512 T CA -0.725 61.274 62.100 -0.168 0.000 1.020 512 T CB 1.474 70.328 68.868 -0.024 0.000 1.056 512 T HN 0.258 nan 8.240 nan 0.000 0.480 513 V N 2.808 122.198 119.914 -0.874 0.000 2.435 513 V HA 0.497 4.618 4.120 0.000 0.000 0.290 513 V C -0.058 175.894 176.094 -0.236 0.000 1.030 513 V CA -0.681 61.197 62.300 -0.703 0.000 0.881 513 V CB 1.367 32.479 31.823 -1.185 0.000 0.983 513 V HN 0.719 nan 8.190 nan 0.000 0.445 514 K N 2.696 123.008 120.400 -0.147 0.000 2.385 514 K HA 0.689 5.009 4.320 0.000 0.000 0.248 514 K C -1.407 175.132 176.600 -0.103 0.000 0.955 514 K CA -0.876 55.349 56.287 -0.104 0.000 0.816 514 K CB 2.979 35.395 32.500 -0.141 0.000 1.250 514 K HN 0.404 nan 8.250 nan 0.000 0.434 515 V N 2.029 121.808 119.914 -0.225 0.000 2.328 515 V HA 0.509 4.630 4.120 0.000 0.000 0.278 515 V C -0.818 175.028 176.094 -0.414 0.000 1.021 515 V CA -0.344 61.678 62.300 -0.464 0.000 0.838 515 V CB 0.764 31.998 31.823 -0.981 0.000 0.999 515 V HN 0.863 nan 8.190 nan 0.000 0.447 516 A N 5.114 127.748 122.820 -0.309 0.000 2.309 516 A HA 0.955 5.276 4.320 0.000 0.000 0.298 516 A C 0.398 177.726 177.584 -0.427 0.000 1.165 516 A CA 0.332 52.223 52.037 -0.242 0.000 0.821 516 A CB 1.193 20.166 19.000 -0.045 0.000 1.102 516 A HN 1.416 nan 8.150 nan 0.000 0.500 517 G N 0.069 108.449 108.800 -0.700 0.000 2.749 517 G HA2 0.410 4.370 3.960 0.000 0.000 0.300 517 G HA3 0.410 4.370 3.960 0.000 0.000 0.300 517 G C 0.137 174.282 174.900 -1.258 0.000 1.352 517 G CA 0.047 44.508 45.100 -1.064 0.000 0.789 517 G HN 0.858 nan 8.290 nan 0.000 0.509 518 N N -1.051 117.164 118.700 -0.807 0.000 2.368 518 N HA 0.340 5.080 4.740 0.000 0.000 0.176 518 N C 1.131 176.533 175.510 -0.180 0.000 1.021 518 N CA 0.818 53.619 53.050 -0.415 0.000 0.888 518 N CB 0.318 38.806 38.487 0.003 0.000 0.995 518 N HN 0.681 nan 8.380 nan 0.000 0.437 519 A N 0.172 122.907 122.820 -0.142 0.000 2.366 519 A HA 0.617 4.937 4.320 0.000 0.000 0.249 519 A C 1.503 179.038 177.584 -0.083 0.000 1.084 519 A CA 0.054 52.049 52.037 -0.069 0.000 0.794 519 A CB 0.144 19.125 19.000 -0.032 0.000 1.034 519 A HN 0.427 nan 8.150 nan 0.000 0.491 520 A N 1.375 124.169 122.820 -0.044 0.000 1.883 520 A HA 0.085 4.405 4.320 0.000 0.000 0.217 520 A C 2.301 179.855 177.584 -0.049 0.000 1.186 520 A CA 2.425 54.440 52.037 -0.038 0.000 0.624 520 A CB -1.180 17.809 19.000 -0.018 0.000 0.822 520 A HN 1.843 nan 8.150 nan 0.000 0.444 521 A N -0.853 121.942 122.820 -0.043 0.000 2.186 521 A HA 0.060 4.381 4.320 0.000 0.000 0.219 521 A C 1.756 179.293 177.584 -0.078 0.000 1.159 521 A CA 1.386 53.397 52.037 -0.043 0.000 0.680 521 A CB -0.470 18.518 19.000 -0.019 0.000 0.787 521 A HN 0.503 nan 8.150 nan 0.000 0.467 522 L N -2.125 119.026 121.223 -0.121 0.000 2.693 522 L HA 0.298 4.639 4.340 0.000 0.000 0.235 522 L C 1.394 178.149 176.870 -0.192 0.000 1.127 522 L CA 0.430 55.151 54.840 -0.197 0.000 0.914 522 L CB -0.067 41.821 42.059 -0.285 0.000 1.193 522 L HN 0.505 nan 8.230 nan 0.000 0.502 523 G N 1.216 109.939 108.800 -0.129 0.000 2.137 523 G HA2 -0.328 3.632 3.960 0.000 0.000 0.237 523 G HA3 -0.328 3.632 3.960 0.000 0.000 0.237 523 G C 0.409 175.272 174.900 -0.062 0.000 1.002 523 G CA 0.303 45.355 45.100 -0.080 0.000 0.702 523 G HN 0.634 nan 8.290 nan 0.000 0.515 524 N N -0.958 117.671 118.700 -0.119 0.000 2.699 524 N HA -0.264 4.476 4.740 0.000 0.000 0.256 524 N C 1.031 176.600 175.510 0.098 0.000 0.993 524 N CA 1.467 54.475 53.050 -0.071 0.000 0.759 524 N CB -0.956 37.551 38.487 0.034 0.000 0.906 524 N HN 1.229 nan 8.380 nan 0.000 0.541 525 W N -2.088 119.274 121.300 0.103 0.000 2.589 525 W HA -0.263 4.397 4.660 0.000 0.000 0.272 525 W C 0.727 177.375 176.519 0.216 0.000 1.060 525 W CA 0.556 58.018 57.345 0.194 0.000 0.533 525 W CB -2.057 27.484 29.460 0.135 0.000 2.084 525 W HN 0.372 nan 8.180 nan 0.000 1.371 526 S N 0.939 116.793 115.700 0.258 0.000 2.474 526 S HA 0.319 4.790 4.470 0.000 0.000 0.276 526 S C 1.426 176.099 174.600 0.122 0.000 1.227 526 S CA 0.382 58.691 58.200 0.182 0.000 1.050 526 S CB 1.097 64.356 63.200 0.098 0.000 0.939 526 S HN 0.260 nan 8.310 nan 0.000 0.490 527 T N 2.170 116.804 114.554 0.133 0.000 2.867 527 T HA -0.134 4.216 4.350 0.000 0.000 0.268 527 T C 1.993 176.677 174.700 -0.027 0.000 1.057 527 T CA 1.444 63.549 62.100 0.008 0.000 1.136 527 T CB -0.733 68.142 68.868 0.012 0.000 0.874 527 T HN 0.753 nan 8.240 nan 0.000 0.466 528 S N 1.787 117.491 115.700 0.007 0.000 2.414 528 S HA 0.331 4.801 4.470 0.000 0.000 0.227 528 S C 2.174 176.763 174.600 -0.018 0.000 1.022 528 S CA 0.360 58.556 58.200 -0.008 0.000 0.958 528 S CB -0.567 62.637 63.200 0.008 0.000 0.797 528 S HN 0.699 nan 8.310 nan 0.000 0.493 529 A N 0.969 123.781 122.820 -0.013 0.000 2.275 529 A HA 0.763 5.083 4.320 0.000 0.000 0.212 529 A C 1.073 178.623 177.584 -0.056 0.000 1.201 529 A CA 0.158 52.179 52.037 -0.026 0.000 0.843 529 A CB -0.778 18.213 19.000 -0.014 0.000 0.873 529 A HN 0.788 nan 8.150 nan 0.000 0.492 530 A N -0.200 122.576 122.820 -0.073 0.000 2.466 530 A HA 0.445 4.765 4.320 0.000 0.000 0.238 530 A C 0.221 177.736 177.584 -0.116 0.000 1.074 530 A CA 0.036 52.000 52.037 -0.122 0.000 0.774 530 A CB 0.066 18.975 19.000 -0.152 0.000 1.015 530 A HN 0.449 nan 8.150 nan 0.000 0.498 531 V N 2.037 121.860 119.914 -0.152 0.000 2.432 531 V HA 0.434 4.554 4.120 0.000 0.000 0.271 531 V C 0.936 176.979 176.094 -0.085 0.000 1.046 531 V CA -0.009 62.222 62.300 -0.115 0.000 0.945 531 V CB 0.521 32.259 31.823 -0.140 0.000 0.992 531 V HN 1.081 nan 8.190 nan 0.000 0.471 532 A N 6.315 129.115 122.820 -0.033 0.000 2.401 532 A HA 0.667 4.987 4.320 0.000 0.000 0.259 532 A C -0.456 177.175 177.584 0.078 0.000 1.103 532 A CA -0.194 51.851 52.037 0.012 0.000 0.789 532 A CB 0.114 19.128 19.000 0.024 0.000 1.035 532 A HN 0.727 nan 8.150 nan 0.000 0.491 533 L N 1.427 122.747 121.223 0.161 0.000 2.352 533 L HA 0.347 4.687 4.340 0.000 0.000 0.269 533 L C 0.326 177.451 176.870 0.423 0.000 1.034 533 L CA -0.347 54.667 54.840 0.290 0.000 0.806 533 L CB 1.126 43.403 42.059 0.364 0.000 1.244 533 L HN 0.603 nan 8.230 nan 0.000 0.447 534 D N 1.007 121.565 120.400 0.264 0.000 2.325 534 D HA 0.175 4.815 4.640 0.000 0.000 0.251 534 D C 0.441 176.530 176.300 -0.352 0.000 1.196 534 D CA 0.094 54.116 54.000 0.037 0.000 0.866 534 D CB 1.918 42.711 40.800 -0.011 0.000 1.101 534 D HN 0.686 nan 8.370 nan 0.000 0.476 535 A N 3.377 125.697 122.820 -0.833 0.000 2.178 535 A HA -0.066 4.254 4.320 0.000 0.000 0.218 535 A C 1.092 178.209 177.584 -0.779 0.000 1.157 535 A CA 0.324 51.369 52.037 -1.654 0.000 0.689 535 A CB -0.027 18.297 19.000 -1.126 0.000 0.787 535 A HN 0.454 nan 8.150 nan 0.000 0.465 536 V N 1.597 121.265 119.914 -0.410 0.000 2.540 536 V HA 0.106 4.226 4.120 0.000 0.000 0.297 536 V C 0.811 176.809 176.094 -0.159 0.000 1.024 536 V CA 0.752 62.935 62.300 -0.194 0.000 1.105 536 V CB -0.154 31.613 31.823 -0.092 0.000 0.938 536 V HN 0.736 nan 8.190 nan 0.000 0.482 537 N N 1.976 120.644 118.700 -0.053 0.000 3.005 537 N HA -0.199 4.541 4.740 0.000 0.000 0.170 537 N C 0.187 175.718 175.510 0.035 0.000 1.356 537 N CA 0.650 53.722 53.050 0.037 0.000 1.242 537 N CB -1.017 37.490 38.487 0.033 0.000 1.010 537 N HN 0.728 nan 8.380 nan 0.000 0.597 538 Y N 2.731 122.902 120.300 -0.214 0.000 2.852 538 Y HA 0.192 4.742 4.550 0.000 0.000 0.343 538 Y C 0.669 176.559 175.900 -0.017 0.000 1.280 538 Y CA 1.011 59.017 58.100 -0.158 0.000 1.604 538 Y CB -0.045 38.265 38.460 -0.250 0.000 1.216 538 Y HN 0.340 nan 8.280 nan 0.000 0.541 539 A N 4.625 127.349 122.820 -0.159 0.000 2.564 539 A HA 0.357 4.677 4.320 0.000 0.000 0.288 539 A C -1.262 176.274 177.584 -0.081 0.000 1.164 539 A CA -0.898 51.148 52.037 0.014 0.000 0.712 539 A CB 0.931 20.023 19.000 0.154 0.000 1.303 539 A HN 0.599 nan 8.150 nan 0.000 0.418 540 D N 0.561 120.969 120.400 0.013 0.000 2.363 540 D HA 0.188 4.828 4.640 0.000 0.000 0.263 540 D C 0.734 177.001 176.300 -0.055 0.000 1.258 540 D CA 1.451 55.447 54.000 -0.008 0.000 0.907 540 D CB -0.203 40.614 40.800 0.028 0.000 1.107 540 D HN 0.604 nan 8.370 nan 0.000 0.495 541 N N 2.315 120.959 118.700 -0.092 0.000 2.863 541 N HA -0.309 4.431 4.740 0.000 0.000 0.245 541 N C -1.037 174.395 175.510 -0.130 0.000 1.001 541 N CA 1.218 54.200 53.050 -0.112 0.000 0.901 541 N CB -1.377 37.048 38.487 -0.102 0.000 1.124 541 N HN 0.624 nan 8.380 nan 0.000 0.582 542 H N -1.309 117.600 119.070 -0.269 0.000 2.380 542 H HA 0.439 4.996 4.556 0.000 0.000 0.231 542 H C -2.765 172.400 175.328 -0.271 0.000 1.415 542 H CA -1.779 54.119 56.048 -0.249 0.000 1.433 542 H CB 0.898 30.510 29.762 -0.249 0.000 1.544 542 H HN -0.019 nan 8.280 nan 0.000 0.503 543 P HA 0.133 nan 4.420 nan 0.000 0.251 543 P C -0.841 176.310 177.300 -0.249 0.000 1.718 543 P CA -0.518 62.146 63.100 -0.726 0.000 1.119 543 P CB 0.441 31.705 31.700 -0.727 0.000 1.762 544 L N 4.074 125.137 121.223 -0.267 0.000 2.317 544 L HA 0.732 5.072 4.340 0.000 0.000 0.281 544 L C -1.487 175.308 176.870 -0.125 0.000 1.024 544 L CA -0.465 54.271 54.840 -0.174 0.000 0.810 544 L CB 0.804 42.690 42.059 -0.288 0.000 1.240 544 L HN 0.149 nan 8.230 nan 0.000 0.427 545 W N 6.267 127.482 121.300 -0.142 0.000 2.839 545 W HA 0.645 5.305 4.660 0.000 0.000 0.334 545 W C -0.760 175.706 176.519 -0.089 0.000 1.064 545 W CA -0.532 56.772 57.345 -0.068 0.000 1.236 545 W CB 1.577 31.020 29.460 -0.029 0.000 1.405 545 W HN 0.522 nan 8.180 nan 0.000 0.478 546 I N 1.112 121.766 120.570 0.140 0.000 2.608 546 I HA 1.071 5.241 4.170 0.000 0.000 0.295 546 I C -0.009 176.204 176.117 0.160 0.000 1.049 546 I CA -0.928 60.443 61.300 0.119 0.000 1.063 546 I CB 2.316 40.332 38.000 0.026 0.000 1.248 546 I HN 0.457 nan 8.210 nan 0.000 0.424 547 G N 2.896 111.813 108.800 0.196 0.000 2.701 547 G HA2 0.620 4.580 3.960 0.000 0.000 0.300 547 G HA3 0.620 4.580 3.960 0.000 0.000 0.300 547 G C -1.216 173.796 174.900 0.187 0.000 1.410 547 G CA -0.601 44.603 45.100 0.172 0.000 1.014 547 G HN 0.611 nan 8.290 nan 0.000 0.509 548 T N 1.479 116.102 114.554 0.114 0.000 2.788 548 T HA 0.527 4.877 4.350 0.000 0.000 0.296 548 T C -0.141 174.608 174.700 0.083 0.000 1.009 548 T CA -0.326 61.824 62.100 0.084 0.000 0.949 548 T CB 1.469 70.355 68.868 0.030 0.000 0.946 548 T HN 0.369 nan 8.240 nan 0.000 0.453 549 V N 3.911 123.896 119.914 0.118 0.000 2.513 549 V HA 0.410 4.530 4.120 0.000 0.000 0.299 549 V C -0.027 176.099 176.094 0.053 0.000 1.035 549 V CA -1.237 61.116 62.300 0.087 0.000 0.889 549 V CB 1.745 33.644 31.823 0.127 0.000 0.988 549 V HN 0.728 nan 8.190 nan 0.000 0.440 550 N N 4.457 123.174 118.700 0.028 0.000 2.420 550 N HA 0.487 5.227 4.740 0.000 0.000 0.262 550 N C -0.818 174.704 175.510 0.020 0.000 1.144 550 N CA 0.081 53.140 53.050 0.015 0.000 0.952 550 N CB 0.732 39.221 38.487 0.004 0.000 1.081 550 N HN 0.530 nan 8.380 nan 0.000 0.480 551 L N 0.637 121.874 121.223 0.023 0.000 2.342 551 L HA 0.394 4.735 4.340 0.000 0.000 0.271 551 L C 0.712 177.588 176.870 0.011 0.000 1.008 551 L CA -1.072 53.785 54.840 0.028 0.000 0.818 551 L CB 1.832 43.928 42.059 0.061 0.000 1.296 551 L HN 0.452 nan 8.230 nan 0.000 0.427 552 E N 1.873 122.076 120.200 0.005 0.000 2.413 552 E HA 0.252 4.603 4.350 0.000 0.000 0.263 552 E C -0.293 176.297 176.600 -0.018 0.000 1.015 552 E CA -0.386 56.010 56.400 -0.008 0.000 0.916 552 E CB 1.148 30.844 29.700 -0.007 0.000 0.947 552 E HN 0.607 nan 8.360 nan 0.000 0.440 553 A N 3.838 126.639 122.820 -0.031 0.000 2.438 553 A HA 0.467 4.787 4.320 0.000 0.000 0.280 553 A C 1.119 178.673 177.584 -0.051 0.000 1.160 553 A CA 0.405 52.412 52.037 -0.051 0.000 0.821 553 A CB -0.697 18.265 19.000 -0.063 0.000 1.101 553 A HN 1.128 nan 8.150 nan 0.000 0.515 554 G N 2.198 110.962 108.800 -0.061 0.000 2.231 554 G HA2 -0.182 3.779 3.960 0.000 0.000 0.206 554 G HA3 -0.182 3.779 3.960 0.000 0.000 0.206 554 G C 0.020 174.894 174.900 -0.043 0.000 0.996 554 G CA 0.151 45.218 45.100 -0.054 0.000 0.645 554 G HN 0.924 nan 8.290 nan 0.000 0.498 555 D N 0.958 121.338 120.400 -0.032 0.000 2.389 555 D HA 0.455 5.095 4.640 0.000 0.000 0.247 555 D C 0.615 176.908 176.300 -0.012 0.000 1.128 555 D CA 0.012 54.006 54.000 -0.010 0.000 0.884 555 D CB 1.347 42.151 40.800 0.007 0.000 1.194 555 D HN 0.199 nan 8.370 nan 0.000 0.441 556 V N 4.282 124.201 119.914 0.010 0.000 2.465 556 V HA 0.363 4.484 4.120 0.000 0.000 0.279 556 V C 0.164 176.310 176.094 0.088 0.000 1.045 556 V CA -0.649 61.669 62.300 0.030 0.000 0.938 556 V CB 1.531 33.372 31.823 0.030 0.000 0.986 556 V HN 0.378 nan 8.190 nan 0.000 0.467 557 V N 4.667 124.676 119.914 0.159 0.000 2.588 557 V HA 0.447 4.568 4.120 0.000 0.000 0.304 557 V C -0.246 176.037 176.094 0.316 0.000 1.042 557 V CA -0.575 61.861 62.300 0.227 0.000 0.877 557 V CB 2.139 34.129 31.823 0.278 0.000 0.996 557 V HN 0.942 nan 8.190 nan 0.000 0.425 558 E N 3.904 124.260 120.200 0.259 0.000 2.171 558 E HA 0.646 4.996 4.350 0.000 0.000 0.271 558 E C -1.768 174.971 176.600 0.232 0.000 0.916 558 E CA -0.471 56.106 56.400 0.295 0.000 0.774 558 E CB 2.144 32.074 29.700 0.384 0.000 1.128 558 E HN 0.666 nan 8.360 nan 0.000 0.403 559 Y N -0.037 120.373 120.300 0.182 0.000 2.638 559 Y HA 0.623 5.173 4.550 0.000 0.000 0.335 559 Y C -1.286 174.780 175.900 0.278 0.000 1.155 559 Y CA -1.239 56.834 58.100 -0.044 0.000 1.046 559 Y CB 1.377 39.667 38.460 -0.282 0.000 1.303 559 Y HN 0.154 nan 8.280 nan 0.000 0.460 560 K N 1.379 121.986 120.400 0.346 0.000 2.469 560 K HA 0.420 4.741 4.320 0.000 0.000 0.254 560 K C -1.955 174.675 176.600 0.049 0.000 0.939 560 K CA -1.016 55.470 56.287 0.331 0.000 0.812 560 K CB 2.187 35.059 32.500 0.619 0.000 1.301 560 K HN 0.713 nan 8.250 nan 0.000 0.433 561 Y N 2.729 123.111 120.300 0.137 0.000 2.335 561 Y HA 0.239 4.790 4.550 0.000 0.000 0.331 561 Y C 0.648 176.600 175.900 0.088 0.000 1.094 561 Y CA -0.490 57.663 58.100 0.089 0.000 1.253 561 Y CB 0.393 38.976 38.460 0.206 0.000 1.203 561 Y HN 0.343 nan 8.280 nan 0.000 0.508 562 I N 0.278 120.915 120.570 0.110 0.000 2.441 562 I HA 0.509 4.680 4.170 0.000 0.000 0.295 562 I C -0.683 175.435 176.117 0.002 0.000 0.994 562 I CA -1.097 60.180 61.300 -0.037 0.000 1.144 562 I CB 1.839 39.535 38.000 -0.507 0.000 1.314 562 I HN 0.453 nan 8.210 nan 0.000 0.445 563 N N 5.253 123.958 118.700 0.010 0.000 2.469 563 N HA 0.325 5.065 4.740 0.000 0.000 0.239 563 N C -1.162 174.230 175.510 -0.197 0.000 1.053 563 N CA -0.326 52.590 53.050 -0.224 0.000 0.937 563 N CB 0.961 39.246 38.487 -0.336 0.000 1.163 563 N HN 0.548 nan 8.380 nan 0.000 0.509 564 V N 2.944 122.725 119.914 -0.221 0.000 2.318 564 V HA 0.486 4.607 4.120 0.000 0.000 0.271 564 V C 1.364 177.360 176.094 -0.164 0.000 1.030 564 V CA -0.840 61.356 62.300 -0.172 0.000 0.844 564 V CB 0.685 32.416 31.823 -0.154 0.000 1.015 564 V HN 0.714 nan 8.190 nan 0.000 0.460 565 G N 2.808 111.525 108.800 -0.138 0.000 2.699 565 G HA2 0.144 4.104 3.960 0.000 0.000 0.246 565 G HA3 0.144 4.104 3.960 0.000 0.000 0.246 565 G C 0.704 175.520 174.900 -0.139 0.000 1.219 565 G CA 0.041 45.057 45.100 -0.141 0.000 0.866 565 G HN 0.736 nan 8.290 nan 0.000 0.572 566 Q N -0.062 119.628 119.800 -0.183 0.000 2.112 566 Q HA -0.194 4.146 4.340 0.000 0.000 0.206 566 Q C 1.895 177.835 176.000 -0.100 0.000 0.987 566 Q CA 2.573 58.273 55.803 -0.172 0.000 0.858 566 Q CB -0.285 28.292 28.738 -0.269 0.000 0.905 566 Q HN 0.748 nan 8.270 nan 0.000 0.420 567 D N -1.693 118.659 120.400 -0.079 0.000 2.390 567 D HA 0.069 4.709 4.640 0.000 0.000 0.235 567 D C 1.002 177.280 176.300 -0.037 0.000 1.040 567 D CA 0.777 54.752 54.000 -0.042 0.000 0.923 567 D CB -0.620 40.166 40.800 -0.024 0.000 0.886 567 D HN 0.447 nan 8.370 nan 0.000 0.532 568 G N 0.140 108.909 108.800 -0.052 0.000 2.166 568 G HA2 -0.324 3.636 3.960 0.000 0.000 0.260 568 G HA3 -0.324 3.636 3.960 0.000 0.000 0.260 568 G C 0.416 175.292 174.900 -0.040 0.000 0.986 568 G CA 0.588 45.661 45.100 -0.046 0.000 0.683 568 G HN 0.848 nan 8.290 nan 0.000 0.527 569 S N -1.286 114.389 115.700 -0.041 0.000 2.592 569 S HA 0.693 5.163 4.470 0.000 0.000 0.271 569 S C 0.019 174.588 174.600 -0.052 0.000 1.326 569 S CA -0.272 57.911 58.200 -0.028 0.000 1.024 569 S CB 2.645 65.836 63.200 -0.015 0.000 0.921 569 S HN 0.972 nan 8.310 nan 0.000 0.527 570 V N 2.699 122.591 119.914 -0.036 0.000 2.487 570 V HA 0.572 4.692 4.120 0.000 0.000 0.298 570 V C -0.008 176.071 176.094 -0.025 0.000 1.028 570 V CA -0.607 61.635 62.300 -0.096 0.000 0.860 570 V CB 1.807 33.531 31.823 -0.166 0.000 0.991 570 V HN 1.155 nan 8.190 nan 0.000 0.427 571 T N 0.995 115.530 114.554 -0.031 0.000 2.823 571 T HA 0.610 4.961 4.350 0.000 0.000 0.279 571 T C -0.995 173.794 174.700 0.149 0.000 0.998 571 T CA -0.573 61.598 62.100 0.119 0.000 0.994 571 T CB 1.204 70.157 68.868 0.142 0.000 0.960 571 T HN 0.471 nan 8.240 nan 0.000 0.448 572 W N 2.041 123.458 121.300 0.194 0.000 2.417 572 W HA 0.417 5.078 4.660 0.000 0.000 0.317 572 W C 0.720 177.289 176.519 0.083 0.000 1.121 572 W CA -0.922 56.509 57.345 0.144 0.000 1.208 572 W CB 0.886 30.377 29.460 0.051 0.000 1.253 572 W HN 0.861 nan 8.180 nan 0.000 0.533 573 E N 1.423 121.599 120.200 -0.040 0.000 2.398 573 E HA 0.203 4.553 4.350 0.000 0.000 0.263 573 E C 0.490 176.975 176.600 -0.192 0.000 1.046 573 E CA -0.533 55.491 56.400 -0.628 0.000 0.908 573 E CB 1.124 29.951 29.700 -1.454 0.000 0.963 573 E HN 0.237 nan 8.360 nan 0.000 0.431 574 S N 2.098 117.681 115.700 -0.195 0.000 2.572 574 S HA -0.064 4.406 4.470 0.000 0.000 0.267 574 S C 0.048 174.568 174.600 -0.134 0.000 1.361 574 S CA -0.431 57.708 58.200 -0.102 0.000 1.009 574 S CB 0.261 63.418 63.200 -0.072 0.000 0.888 574 S HN 0.592 nan 8.310 nan 0.000 0.553 575 D N 2.769 123.098 120.400 -0.119 0.000 2.368 575 D HA 0.309 4.949 4.640 0.000 0.000 0.240 575 D C -1.834 174.377 176.300 -0.148 0.000 1.169 575 D CA -0.532 53.383 54.000 -0.142 0.000 0.906 575 D CB 0.479 41.199 40.800 -0.135 0.000 1.187 575 D HN 0.495 nan 8.370 nan 0.000 0.435 576 P HA 0.168 nan 4.420 nan 0.000 0.280 576 P C -0.372 176.795 177.300 -0.222 0.000 1.272 576 P CA -0.718 62.278 63.100 -0.174 0.000 0.819 576 P CB 0.696 32.307 31.700 -0.148 0.000 1.122 577 N N 0.487 119.094 118.700 -0.155 0.000 2.345 577 N HA -0.013 4.727 4.740 0.000 0.000 0.243 577 N C 0.433 175.825 175.510 -0.197 0.000 1.246 577 N CA 0.430 53.430 53.050 -0.083 0.000 0.863 577 N CB -0.251 38.261 38.487 0.041 0.000 1.096 577 N HN 0.384 nan 8.380 nan 0.000 0.446 578 H N 0.448 119.351 119.070 -0.278 0.000 2.615 578 H HA 0.204 4.760 4.556 0.000 0.000 0.363 578 H C -0.064 175.127 175.328 -0.228 0.000 1.148 578 H CA 0.389 56.187 56.048 -0.416 0.000 1.401 578 H CB 0.752 29.817 29.762 -1.162 0.000 1.461 578 H HN 0.310 nan 8.280 nan 0.000 0.588 579 T N 3.192 117.802 114.554 0.093 0.000 2.890 579 T HA 0.203 4.553 4.350 0.000 0.000 0.295 579 T C -1.245 173.654 174.700 0.331 0.000 0.993 579 T CA -0.601 61.614 62.100 0.190 0.000 0.979 579 T CB 0.519 69.457 68.868 0.117 0.000 0.967 579 T HN 0.414 nan 8.240 nan 0.000 0.441 580 Y N 2.119 122.578 120.300 0.266 0.000 2.425 580 Y HA 0.535 5.086 4.550 0.000 0.000 0.344 580 Y C -0.451 175.548 175.900 0.165 0.000 0.969 580 Y CA -0.792 57.456 58.100 0.246 0.000 1.052 580 Y CB 1.700 40.365 38.460 0.342 0.000 1.215 580 Y HN 0.510 nan 8.280 nan 0.000 0.451 581 T N 6.133 120.352 114.554 -0.558 0.000 2.738 581 T HA 0.326 4.677 4.350 0.000 0.000 0.298 581 T C -0.629 173.545 174.700 -0.876 0.000 0.962 581 T CA -0.494 61.315 62.100 -0.485 0.000 0.972 581 T CB 0.265 68.989 68.868 -0.240 0.000 0.928 581 T HN 0.462 nan 8.240 nan 0.000 0.474 582 V N 8.133 127.759 119.914 -0.480 0.000 2.485 582 V HA 0.135 4.255 4.120 0.000 0.000 0.287 582 V C -1.553 174.426 176.094 -0.191 0.000 1.022 582 V CA -1.522 60.628 62.300 -0.250 0.000 1.067 582 V CB -0.288 31.516 31.823 -0.031 0.000 0.967 582 V HN 0.696 nan 8.190 nan 0.000 0.479 583 P HA 0.204 nan 4.420 nan 0.000 0.269 583 P C -0.542 176.651 177.300 -0.178 0.000 1.215 583 P CA -0.255 62.736 63.100 -0.181 0.000 0.780 583 P CB 0.927 32.415 31.700 -0.354 0.000 0.898 584 A N 2.439 125.160 122.820 -0.165 0.000 3.159 584 A HA 0.482 4.802 4.320 0.000 0.000 0.330 584 A C -0.609 176.886 177.584 -0.149 0.000 1.032 584 A CA -0.454 51.502 52.037 -0.135 0.000 0.841 584 A CB 0.032 18.982 19.000 -0.083 0.000 1.093 584 A HN 0.292 nan 8.150 nan 0.000 0.478 585 V N 1.004 120.780 119.914 -0.230 0.000 2.680 585 V HA 0.680 4.800 4.120 0.000 0.000 0.309 585 V C 0.843 176.836 176.094 -0.169 0.000 1.052 585 V CA -0.562 61.612 62.300 -0.209 0.000 0.908 585 V CB 1.788 33.406 31.823 -0.341 0.000 1.001 585 V HN 0.958 nan 8.190 nan 0.000 0.431 586 A N 2.423 125.180 122.820 -0.106 0.000 2.567 586 A HA 0.274 4.594 4.320 0.000 0.000 0.240 586 A C 1.192 178.723 177.584 -0.090 0.000 1.053 586 A CA 0.828 52.815 52.037 -0.083 0.000 0.755 586 A CB -0.949 18.015 19.000 -0.059 0.000 0.978 586 A HN 1.772 nan 8.150 nan 0.000 0.507 587 c N 0.162 118.713 118.600 -0.082 0.000 5.189 587 c HA -0.160 4.410 4.570 0.000 0.000 0.253 587 c C 0.732 174.770 174.090 -0.087 0.000 1.601 587 c CA 0.207 56.492 56.329 -0.073 0.000 1.533 587 c CB -2.760 39.716 42.510 -0.057 0.000 2.164 587 c HN 0.915 nan 8.230 nan 0.000 0.604 588 V N 2.316 122.147 119.914 -0.139 0.000 2.299 588 V HA 0.400 4.520 4.120 0.000 0.000 0.255 588 V C 1.387 177.402 176.094 -0.131 0.000 1.100 588 V CA 1.377 63.571 62.300 -0.176 0.000 0.938 588 V CB 0.828 32.402 31.823 -0.414 0.000 1.139 588 V HN 0.650 nan 8.190 nan 0.000 0.490 589 T N 0.544 115.053 114.554 -0.075 0.000 2.990 589 T HA 0.225 4.575 4.350 0.000 0.000 0.250 589 T C 0.410 175.088 174.700 -0.037 0.000 1.041 589 T CA -0.016 62.053 62.100 -0.053 0.000 1.010 589 T CB 0.387 69.233 68.868 -0.035 0.000 1.003 589 T HN 0.493 nan 8.240 nan 0.000 0.499 590 Q N 1.159 120.943 119.800 -0.028 0.000 2.271 590 Q HA 0.585 4.925 4.340 0.000 0.000 0.268 590 Q C -1.497 174.496 176.000 -0.011 0.000 1.021 590 Q CA -0.794 54.995 55.803 -0.023 0.000 0.802 590 Q CB 2.489 31.218 28.738 -0.014 0.000 1.282 590 Q HN 0.336 nan 8.270 nan 0.000 0.431 591 V N 0.230 120.124 119.914 -0.033 0.000 3.001 591 V HA 0.872 4.992 4.120 0.000 0.000 0.314 591 V C -0.934 175.072 176.094 -0.145 0.000 1.099 591 V CA -0.821 61.472 62.300 -0.012 0.000 0.989 591 V CB 2.064 33.945 31.823 0.096 0.000 1.040 591 V HN 0.497 nan 8.190 nan 0.000 0.434 592 V N 1.830 121.637 119.914 -0.178 0.000 2.409 592 V HA 0.582 4.702 4.120 0.000 0.000 0.291 592 V C -0.261 175.677 176.094 -0.260 0.000 1.020 592 V CA -0.557 61.555 62.300 -0.315 0.000 0.848 592 V CB 1.494 32.908 31.823 -0.682 0.000 0.990 592 V HN 0.974 nan 8.190 nan 0.000 0.430 593 K N 4.048 124.222 120.400 -0.378 0.000 2.299 593 K HA 0.368 4.688 4.320 0.000 0.000 0.268 593 K C -0.079 176.455 176.600 -0.110 0.000 1.075 593 K CA -0.034 56.023 56.287 -0.384 0.000 0.936 593 K CB 0.515 32.535 32.500 -0.801 0.000 1.228 593 K HN 0.720 nan 8.250 nan 0.000 0.454 594 E N 3.539 123.704 120.200 -0.058 0.000 2.167 594 E HA 0.185 4.535 4.350 0.000 0.000 0.284 594 E C -0.761 175.913 176.600 0.124 0.000 1.016 594 E CA -0.416 55.981 56.400 -0.006 0.000 0.817 594 E CB 1.060 30.669 29.700 -0.151 0.000 1.080 594 E HN 0.535 nan 8.360 nan 0.000 0.397 595 D N 1.575 122.089 120.400 0.191 0.000 2.547 595 D HA 0.386 5.027 4.640 0.000 0.000 0.231 595 D C -0.684 175.705 176.300 0.148 0.000 1.099 595 D CA -0.458 53.662 54.000 0.201 0.000 0.901 595 D CB 2.356 43.310 40.800 0.258 0.000 1.478 595 D HN 0.154 nan 8.370 nan 0.000 0.471 596 T N 0.454 115.114 114.554 0.177 0.000 2.863 596 T HA 0.179 4.529 4.350 0.000 0.000 0.285 596 T C -0.539 174.294 174.700 0.222 0.000 1.009 596 T CA -0.710 61.490 62.100 0.167 0.000 0.989 596 T CB 1.519 70.478 68.868 0.151 0.000 1.004 596 T HN 0.242 nan 8.240 nan 0.000 0.455 597 W N 3.566 124.888 121.300 0.037 0.000 2.264 597 W HA 0.125 4.785 4.660 0.000 0.000 0.331 597 W C -0.556 176.023 176.519 0.101 0.000 1.364 597 W CA -0.111 57.276 57.345 0.070 0.000 1.253 597 W CB 0.285 29.755 29.460 0.016 0.000 1.215 597 W HN 0.654 nan 8.180 nan 0.000 0.561 598 Q N 4.828 124.398 119.800 -0.384 0.000 2.377 598 Q HA 0.154 4.494 4.340 0.000 0.000 0.249 598 Q C 0.248 176.119 176.000 -0.215 0.000 1.005 598 Q CA -0.232 55.434 55.803 -0.230 0.000 0.912 598 Q CB 1.194 29.792 28.738 -0.234 0.000 1.223 598 Q HN 0.261 nan 8.270 nan 0.000 0.459 599 S N 0.000 115.748 115.700 0.080 0.000 2.498 599 S HA 0.000 4.470 4.470 0.000 0.000 0.327 599 S CA 0.000 58.312 58.200 0.186 0.000 1.107 599 S CB 0.000 63.332 63.200 0.220 0.000 0.593 599 S HN 0.000 nan 8.310 nan 0.000 0.517