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 2vn4_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 58.246 58.200 0.077 0.000 1.107 1 S CB 0.000 63.243 63.200 0.072 0.000 0.593 2 V N 1.480 121.477 119.914 0.138 0.000 2.324 2 V HA -0.196 3.992 4.120 0.113 0.000 0.250 2 V C 2.257 178.489 176.094 0.230 0.000 1.060 2 V CA 2.437 64.867 62.300 0.217 0.000 1.042 2 V CB -0.962 30.981 31.823 0.200 0.000 0.650 2 V HN 0.935 nan 8.190 nan 0.000 0.450 3 D N -0.010 120.477 120.400 0.145 0.000 2.123 3 D HA -0.190 4.518 4.640 0.113 0.000 0.196 3 D C 1.851 178.215 176.300 0.106 0.000 0.992 3 D CA 1.710 55.773 54.000 0.105 0.000 0.833 3 D CB -0.229 40.613 40.800 0.071 0.000 0.954 3 D HN 0.457 nan 8.370 nan 0.000 0.455 4 D N 0.134 120.605 120.400 0.119 0.000 2.097 4 D HA -0.142 4.566 4.640 0.113 0.000 0.195 4 D C 1.740 178.131 176.300 0.151 0.000 0.989 4 D CA 0.429 54.496 54.000 0.110 0.000 0.827 4 D CB -0.498 40.363 40.800 0.101 0.000 0.966 4 D HN 0.164 nan 8.370 nan 0.000 0.456 5 F N 1.165 121.154 119.950 0.065 0.000 2.134 5 F HA -0.105 4.490 4.527 0.113 0.000 0.299 5 F C 2.015 177.896 175.800 0.135 0.000 1.097 5 F CA 1.113 59.161 58.000 0.081 0.000 1.264 5 F CB -0.368 38.694 39.000 0.104 0.000 1.001 5 F HN -0.090 nan 8.300 nan 0.000 0.479 6 I N 0.186 120.756 120.570 -0.001 0.000 2.226 6 I HA -0.316 3.922 4.170 0.113 0.000 0.245 6 I C 2.715 178.818 176.117 -0.023 0.000 1.100 6 I CA 1.555 62.845 61.300 -0.016 0.000 1.374 6 I CB -0.800 37.221 38.000 0.034 0.000 1.057 6 I HN 0.333 nan 8.210 nan 0.000 0.413 7 S N -0.243 115.452 115.700 -0.009 0.000 2.383 7 S HA -0.157 4.381 4.470 0.113 0.000 0.227 7 S C 1.970 176.548 174.600 -0.037 0.000 1.026 7 S CA 1.734 59.929 58.200 -0.009 0.000 0.981 7 S CB -0.806 62.399 63.200 0.009 0.000 0.818 7 S HN 0.360 nan 8.310 nan 0.000 0.472 8 T N 1.569 116.087 114.554 -0.059 0.000 2.812 8 T HA 0.053 4.471 4.350 0.113 0.000 0.264 8 T C 1.829 176.434 174.700 -0.158 0.000 1.042 8 T CA 1.548 63.603 62.100 -0.074 0.000 1.140 8 T CB -0.383 68.469 68.868 -0.027 0.000 0.870 8 T HN 0.540 nan 8.240 nan 0.000 0.445 9 E N 0.845 120.847 120.200 -0.330 0.000 2.216 9 E HA -0.047 4.371 4.350 0.113 0.000 0.192 9 E C 2.190 178.555 176.600 -0.392 0.000 0.988 9 E CA 0.987 57.062 56.400 -0.542 0.000 0.834 9 E CB -0.501 28.433 29.700 -1.277 0.000 0.772 9 E HN 0.322 nan 8.360 nan 0.000 0.479 10 T N 1.783 116.266 114.554 -0.119 0.000 2.652 10 T HA -0.123 4.295 4.350 0.113 0.000 0.267 10 T C -1.034 173.665 174.700 -0.002 0.000 1.039 10 T CA 2.021 64.170 62.100 0.081 0.000 1.153 10 T CB -1.189 67.744 68.868 0.108 0.000 0.863 10 T HN 0.315 nan 8.240 nan 0.000 0.428 11 P HA 0.061 nan 4.420 nan 0.000 0.219 11 P C 1.518 178.789 177.300 -0.048 0.000 1.150 11 P CA 0.946 64.039 63.100 -0.012 0.000 0.814 11 P CB -0.260 31.432 31.700 -0.012 0.000 0.787 12 I N 0.153 120.665 120.570 -0.098 0.000 2.202 12 I HA -0.207 4.031 4.170 0.113 0.000 0.242 12 I C 2.607 178.600 176.117 -0.207 0.000 1.091 12 I CA 1.481 62.703 61.300 -0.131 0.000 1.368 12 I CB -0.927 37.000 38.000 -0.122 0.000 1.058 12 I HN -0.090 nan 8.210 nan 0.000 0.410 13 A N 0.748 123.455 122.820 -0.189 0.000 1.902 13 A HA -0.213 4.175 4.320 0.113 0.000 0.217 13 A C 2.259 179.731 177.584 -0.187 0.000 1.181 13 A CA 1.537 53.488 52.037 -0.143 0.000 0.623 13 A CB -0.803 18.204 19.000 0.012 0.000 0.818 13 A HN 0.374 nan 8.150 nan 0.000 0.443 14 L N 0.516 121.677 121.223 -0.104 0.000 2.056 14 L HA -0.149 4.259 4.340 0.113 0.000 0.207 14 L C 2.032 178.780 176.870 -0.203 0.000 1.078 14 L CA 2.552 57.309 54.840 -0.139 0.000 0.749 14 L CB -0.870 41.140 42.059 -0.082 0.000 0.901 14 L HN 0.547 nan 8.230 nan 0.000 0.433 15 N N -0.696 117.933 118.700 -0.119 0.000 2.084 15 N HA -0.218 4.590 4.740 0.113 0.000 0.190 15 N C 1.611 176.988 175.510 -0.221 0.000 1.030 15 N CA 1.730 54.740 53.050 -0.066 0.000 0.849 15 N CB -0.129 38.335 38.487 -0.039 0.000 1.012 15 N HN 0.343 nan 8.380 nan 0.000 0.423 16 N N 0.315 118.761 118.700 -0.424 0.000 2.270 16 N HA -0.084 4.724 4.740 0.113 0.000 0.181 16 N C 1.684 176.870 175.510 -0.539 0.000 1.016 16 N CA 0.387 53.054 53.050 -0.638 0.000 0.870 16 N CB -0.412 37.359 38.487 -1.192 0.000 0.979 16 N HN 0.332 nan 8.380 nan 0.000 0.431 17 L N 0.619 121.561 121.223 -0.469 0.000 1.989 17 L HA -0.100 4.308 4.340 0.113 0.000 0.211 17 L C 1.820 178.579 176.870 -0.185 0.000 1.071 17 L CA 1.259 55.987 54.840 -0.188 0.000 0.749 17 L CB -0.219 41.764 42.059 -0.126 0.000 0.890 17 L HN 0.096 nan 8.230 nan 0.000 0.431 18 L N -1.272 119.807 121.223 -0.239 0.000 2.275 18 L HA -0.220 4.188 4.340 0.113 0.000 0.215 18 L C 2.569 179.375 176.870 -0.107 0.000 1.119 18 L CA 0.512 55.223 54.840 -0.214 0.000 0.790 18 L CB -0.569 41.301 42.059 -0.315 0.000 0.919 18 L HN 0.431 nan 8.230 nan 0.000 0.443 19 c N 0.104 118.641 118.600 -0.104 0.000 2.409 19 c HA -0.152 4.486 4.570 0.113 0.000 0.284 19 c C 2.085 176.165 174.090 -0.017 0.000 1.354 19 c CA 1.000 57.293 56.329 -0.059 0.000 1.787 19 c CB -1.470 40.965 42.510 -0.125 0.000 1.900 19 c HN 0.548 nan 8.230 nan 0.000 0.520 20 N N -0.319 118.368 118.700 -0.021 0.000 2.270 20 N HA 0.113 4.921 4.740 0.113 0.000 0.198 20 N C -0.501 175.027 175.510 0.031 0.000 1.117 20 N CA -0.101 52.971 53.050 0.036 0.000 0.845 20 N CB 0.541 39.077 38.487 0.081 0.000 0.980 20 N HN 0.226 nan 8.380 nan 0.000 0.486 21 V N 0.927 120.845 119.914 0.008 0.000 2.417 21 V HA 0.435 4.623 4.120 0.113 0.000 0.291 21 V C 0.800 176.913 176.094 0.031 0.000 1.024 21 V CA -0.927 61.392 62.300 0.031 0.000 0.861 21 V CB 1.322 33.146 31.823 0.003 0.000 0.985 21 V HN 0.081 nan 8.190 nan 0.000 0.436 22 G N 4.852 113.669 108.800 0.029 0.000 2.572 22 G HA2 0.468 4.496 3.960 0.113 0.000 0.261 22 G HA3 0.468 4.496 3.960 0.113 0.000 0.261 22 G C -1.609 173.273 174.900 -0.029 0.000 1.197 22 G CA -0.951 44.139 45.100 -0.016 0.000 0.870 22 G HN 0.594 nan 8.290 nan 0.000 0.548 23 P HA 0.107 nan 4.420 nan 0.000 0.261 23 P C 0.183 177.306 177.300 -0.295 0.000 1.268 23 P CA 0.479 63.477 63.100 -0.170 0.000 0.833 23 P CB 0.661 32.252 31.700 -0.181 0.000 1.231 24 D N -1.317 118.995 120.400 -0.146 0.000 2.469 24 D HA 0.109 4.817 4.640 0.113 0.000 0.213 24 D C 0.966 177.368 176.300 0.170 0.000 1.135 24 D CA -0.276 53.690 54.000 -0.057 0.000 0.834 24 D CB -0.631 40.178 40.800 0.015 0.000 1.009 24 D HN -0.093 nan 8.370 nan 0.000 0.507 25 G N 1.003 109.863 108.800 0.101 0.000 2.491 25 G HA2 0.143 4.171 3.960 0.113 0.000 0.238 25 G HA3 0.143 4.171 3.960 0.113 0.000 0.238 25 G C 1.475 176.475 174.900 0.168 0.000 1.277 25 G CA -0.007 45.155 45.100 0.103 0.000 0.851 25 G HN 0.428 nan 8.290 nan 0.000 0.573 26 c N 1.159 119.817 118.600 0.098 0.000 2.419 26 c HA 0.131 4.769 4.570 0.113 0.000 0.283 26 c C 1.928 176.052 174.090 0.057 0.000 1.373 26 c CA 0.161 56.529 56.329 0.065 0.000 1.781 26 c CB -0.789 41.714 42.510 -0.012 0.000 1.886 26 c HN 0.741 nan 8.230 nan 0.000 0.520 27 R N 0.186 120.721 120.500 0.058 0.000 2.476 27 R HA 0.358 4.766 4.340 0.113 0.000 0.276 27 R C 1.073 177.473 176.300 0.166 0.000 0.941 27 R CA 0.624 56.770 56.100 0.076 0.000 1.088 27 R CB 0.436 30.741 30.300 0.008 0.000 1.216 27 R HN 0.510 nan 8.270 nan 0.000 0.533 28 A N 0.466 123.391 122.820 0.175 0.000 2.616 28 A HA 0.218 4.606 4.320 0.113 0.000 0.294 28 A C -0.508 177.181 177.584 0.176 0.000 1.091 28 A CA -0.532 51.613 52.037 0.180 0.000 0.971 28 A CB 0.004 19.059 19.000 0.092 0.000 1.222 28 A HN 0.206 nan 8.150 nan 0.000 0.521 29 F N 1.158 121.153 119.950 0.075 0.000 2.543 29 F HA 0.417 5.012 4.527 0.113 0.000 0.375 29 F C 1.427 177.278 175.800 0.084 0.000 1.075 29 F CA 1.655 59.693 58.000 0.063 0.000 1.225 29 F CB 0.658 39.688 39.000 0.049 0.000 1.099 29 F HN 0.514 nan 8.300 nan 0.000 0.561 30 G N 2.609 111.201 108.800 -0.346 0.000 2.176 30 G HA2 -0.285 3.743 3.960 0.113 0.000 0.253 30 G HA3 -0.285 3.743 3.960 0.113 0.000 0.253 30 G C 0.314 175.191 174.900 -0.038 0.000 0.979 30 G CA 0.233 45.251 45.100 -0.136 0.000 0.641 30 G HN 1.022 nan 8.290 nan 0.000 0.530 31 T N -0.501 114.036 114.554 -0.027 0.000 2.766 31 T HA 0.573 4.991 4.350 0.113 0.000 0.295 31 T C 0.883 175.552 174.700 -0.053 0.000 1.024 31 T CA 0.441 62.528 62.100 -0.022 0.000 1.018 31 T CB 1.218 70.066 68.868 -0.033 0.000 1.002 31 T HN 0.651 nan 8.240 nan 0.000 0.532 32 S N 1.124 116.797 115.700 -0.045 0.000 2.558 32 S HA 0.413 4.951 4.470 0.113 0.000 0.288 32 S C 0.812 175.379 174.600 -0.055 0.000 1.318 32 S CA -0.430 57.741 58.200 -0.049 0.000 1.056 32 S CB -0.135 63.035 63.200 -0.049 0.000 0.853 32 S HN 1.070 nan 8.310 nan 0.000 0.505 33 A N 2.245 125.029 122.820 -0.059 0.000 2.567 33 A HA 0.450 4.838 4.320 0.113 0.000 0.240 33 A C 1.582 179.135 177.584 -0.052 0.000 1.053 33 A CA 0.286 52.289 52.037 -0.056 0.000 0.755 33 A CB -1.090 17.877 19.000 -0.056 0.000 0.978 33 A HN 1.882 nan 8.150 nan 0.000 0.507 34 G N 0.839 109.624 108.800 -0.026 0.000 2.179 34 G HA2 0.121 4.149 3.960 0.113 0.000 0.260 34 G HA3 0.121 4.149 3.960 0.113 0.000 0.260 34 G C 0.608 175.539 174.900 0.052 0.000 0.977 34 G CA 0.588 45.681 45.100 -0.011 0.000 0.641 34 G HN 2.226 nan 8.290 nan 0.000 0.533 35 A N -0.514 122.324 122.820 0.029 0.000 2.351 35 A HA 0.714 5.102 4.320 0.113 0.000 0.257 35 A C 0.239 177.882 177.584 0.098 0.000 1.087 35 A CA 0.421 52.484 52.037 0.043 0.000 0.798 35 A CB 1.198 20.187 19.000 -0.019 0.000 1.033 35 A HN 1.201 nan 8.150 nan 0.000 0.488 36 V N 3.651 123.639 119.914 0.123 0.000 2.444 36 V HA 0.339 4.527 4.120 0.113 0.000 0.294 36 V C 0.103 176.255 176.094 0.096 0.000 1.022 36 V CA -0.383 61.994 62.300 0.128 0.000 0.850 36 V CB 1.220 33.150 31.823 0.177 0.000 0.992 36 V HN 0.826 nan 8.190 nan 0.000 0.426 37 I N 2.233 122.835 120.570 0.054 0.000 2.519 37 I HA 0.596 4.834 4.170 0.113 0.000 0.287 37 I C 1.376 177.611 176.117 0.196 0.000 1.047 37 I CA -0.153 61.173 61.300 0.043 0.000 1.381 37 I CB 1.515 39.476 38.000 -0.064 0.000 1.417 37 I HN 0.614 nan 8.210 nan 0.000 0.540 38 A N 4.502 127.514 122.820 0.320 0.000 1.969 38 A HA 0.020 4.409 4.320 0.113 0.000 0.218 38 A C 1.203 178.998 177.584 0.351 0.000 1.169 38 A CA 1.522 53.761 52.037 0.336 0.000 0.635 38 A CB -0.350 18.818 19.000 0.279 0.000 0.810 38 A HN 0.975 nan 8.150 nan 0.000 0.445 39 S N -2.838 113.088 115.700 0.376 0.000 2.586 39 S HA 0.415 4.953 4.470 0.113 0.000 0.277 39 S C -2.889 171.935 174.600 0.373 0.000 1.131 39 S CA -0.288 58.117 58.200 0.343 0.000 0.848 39 S CB 1.492 64.873 63.200 0.302 0.000 1.091 39 S HN -0.064 nan 8.310 nan 0.000 0.453 40 P HA 0.139 nan 4.420 nan 0.000 0.245 40 P C 0.109 177.553 177.300 0.240 0.000 1.212 40 P CA 0.106 63.414 63.100 0.345 0.000 0.774 40 P CB -0.227 31.609 31.700 0.228 0.000 0.999 41 S N 0.417 116.244 115.700 0.211 0.000 2.525 41 S HA 0.141 4.679 4.470 0.113 0.000 0.285 41 S C 1.454 176.167 174.600 0.190 0.000 1.283 41 S CA 0.374 58.650 58.200 0.126 0.000 1.072 41 S CB 0.219 63.426 63.200 0.012 0.000 0.867 41 S HN 0.320 nan 8.310 nan 0.000 0.492 42 T N 0.214 114.836 114.554 0.113 0.000 2.971 42 T HA 0.414 4.832 4.350 0.113 0.000 0.252 42 T C 0.328 175.124 174.700 0.160 0.000 1.022 42 T CA 0.039 62.218 62.100 0.131 0.000 0.980 42 T CB -0.116 68.759 68.868 0.011 0.000 1.044 42 T HN 0.483 nan 8.240 nan 0.000 0.501 43 I N 1.986 122.631 120.570 0.125 0.000 2.607 43 I HA 0.312 4.550 4.170 0.113 0.000 0.290 43 I C -1.311 174.873 176.117 0.112 0.000 1.129 43 I CA -0.843 60.531 61.300 0.123 0.000 1.042 43 I CB 2.115 40.164 38.000 0.083 0.000 1.242 43 I HN -0.055 nan 8.210 nan 0.000 0.421 44 D N 4.269 124.757 120.400 0.146 0.000 2.904 44 D HA -0.119 4.589 4.640 0.113 0.000 0.231 44 D C -2.333 174.035 176.300 0.113 0.000 1.185 44 D CA 0.452 54.543 54.000 0.152 0.000 0.783 44 D CB -0.824 40.040 40.800 0.107 0.000 0.961 44 D HN 0.293 nan 8.370 nan 0.000 0.409 45 P HA 0.345 nan 4.420 nan 0.000 0.286 45 P C -0.591 176.886 177.300 0.294 0.000 1.292 45 P CA -0.490 62.761 63.100 0.252 0.000 0.842 45 P CB 1.106 32.994 31.700 0.313 0.000 1.207 46 D N 0.217 120.904 120.400 0.478 0.000 2.456 46 D HA 0.125 4.833 4.640 0.113 0.000 0.219 46 D C -0.747 176.049 176.300 0.827 0.000 1.126 46 D CA -0.270 54.045 54.000 0.525 0.000 0.890 46 D CB -0.411 40.682 40.800 0.489 0.000 1.025 46 D HN 0.120 nan 8.370 nan 0.000 0.511 47 Y N 2.540 123.113 120.300 0.454 0.000 2.607 47 Y HA 0.147 4.765 4.550 0.114 0.000 0.266 47 Y C -0.097 176.124 175.900 0.536 0.000 1.178 47 Y CA -0.740 57.708 58.100 0.581 0.000 1.226 47 Y CB -0.599 38.088 38.460 0.378 0.000 1.144 47 Y HN 0.423 nan 8.280 nan 0.000 0.528 48 Y N 1.221 121.664 120.300 0.238 0.000 2.623 48 Y HA 0.285 4.904 4.550 0.114 0.000 0.341 48 Y C -1.219 174.385 175.900 -0.494 0.000 1.292 48 Y CA -0.441 57.619 58.100 -0.067 0.000 1.840 48 Y CB -0.958 37.432 38.460 -0.117 0.000 1.865 48 Y HN 0.012 nan 8.280 nan 0.000 0.440 49 Y N 0.962 121.240 120.300 -0.038 0.000 2.655 49 Y HA 0.364 4.982 4.550 0.114 0.000 0.336 49 Y C -0.581 175.248 175.900 -0.118 0.000 1.154 49 Y CA -1.584 56.363 58.100 -0.255 0.000 1.055 49 Y CB 1.413 39.423 38.460 -0.750 0.000 1.295 49 Y HN 0.127 nan 8.280 nan 0.000 0.465 50 M N 2.299 121.911 119.600 0.020 0.000 2.101 50 M HA 0.343 4.891 4.480 0.113 0.000 0.340 50 M C -1.790 174.576 176.300 0.111 0.000 1.057 50 M CA -0.236 55.142 55.300 0.130 0.000 0.984 50 M CB 0.917 33.576 32.600 0.099 0.000 1.560 50 M HN 0.590 nan 8.290 nan 0.000 0.435 51 W N 4.147 125.482 121.300 0.059 0.000 2.365 51 W HA 0.201 4.928 4.660 0.112 0.000 0.316 51 W C 0.789 177.359 176.519 0.084 0.000 1.164 51 W CA -0.414 56.952 57.345 0.036 0.000 1.204 51 W CB 1.632 31.098 29.460 0.010 0.000 1.213 51 W HN 0.715 nan 8.180 nan 0.000 0.539 52 T N 1.956 116.686 114.554 0.293 0.000 2.684 52 T HA -0.256 4.163 4.350 0.113 0.000 0.267 52 T C 1.992 176.788 174.700 0.159 0.000 1.036 52 T CA 1.430 63.657 62.100 0.212 0.000 1.148 52 T CB -0.081 68.887 68.868 0.167 0.000 0.863 52 T HN 0.414 nan 8.240 nan 0.000 0.436 53 R N 1.159 121.752 120.500 0.155 0.000 2.070 53 R HA -0.144 4.264 4.340 0.113 0.000 0.232 53 R C 1.914 178.136 176.300 -0.130 0.000 1.138 53 R CA 2.244 58.350 56.100 0.010 0.000 0.936 53 R CB -0.436 29.867 30.300 0.005 0.000 0.839 53 R HN 0.254 nan 8.270 nan 0.000 0.429 54 D N 0.154 120.503 120.400 -0.084 0.000 2.123 54 D HA -0.126 4.582 4.640 0.113 0.000 0.196 54 D C 2.010 178.262 176.300 -0.080 0.000 0.992 54 D CA 1.853 55.751 54.000 -0.170 0.000 0.833 54 D CB -0.173 40.651 40.800 0.040 0.000 0.954 54 D HN 0.204 nan 8.370 nan 0.000 0.455 55 S N 0.054 115.795 115.700 0.069 0.000 2.368 55 S HA -0.116 4.422 4.470 0.113 0.000 0.225 55 S C 2.085 176.690 174.600 0.008 0.000 1.030 55 S CA 1.053 59.317 58.200 0.107 0.000 0.999 55 S CB -0.314 63.042 63.200 0.260 0.000 0.844 55 S HN 0.389 nan 8.310 nan 0.000 0.459 56 A N 1.266 124.105 122.820 0.032 0.000 1.929 56 A HA 0.107 4.495 4.320 0.113 0.000 0.216 56 A C 2.101 179.631 177.584 -0.089 0.000 1.176 56 A CA 0.880 52.927 52.037 0.017 0.000 0.628 56 A CB -0.603 18.428 19.000 0.052 0.000 0.816 56 A HN 0.431 nan 8.150 nan 0.000 0.444 57 L N -0.672 120.433 121.223 -0.198 0.000 2.056 57 L HA -0.136 4.272 4.340 0.113 0.000 0.207 57 L C 2.522 179.284 176.870 -0.180 0.000 1.078 57 L CA 0.917 55.595 54.840 -0.269 0.000 0.749 57 L CB -0.504 41.199 42.059 -0.593 0.000 0.901 57 L HN 0.236 nan 8.230 nan 0.000 0.433 58 V N -0.684 119.111 119.914 -0.197 0.000 2.295 58 V HA -0.283 3.905 4.120 0.113 0.000 0.246 58 V C 2.206 178.104 176.094 -0.327 0.000 1.049 58 V CA 1.898 64.071 62.300 -0.212 0.000 1.024 58 V CB -0.515 31.185 31.823 -0.205 0.000 0.648 58 V HN 0.226 nan 8.190 nan 0.000 0.447 59 F N 0.399 120.138 119.950 -0.352 0.000 2.325 59 F HA -0.083 4.512 4.527 0.113 0.000 0.299 59 F C 2.306 177.963 175.800 -0.237 0.000 1.090 59 F CA 1.616 59.360 58.000 -0.426 0.000 1.392 59 F CB -0.292 38.174 39.000 -0.891 0.000 1.053 59 F HN 0.060 nan 8.300 nan 0.000 0.521 60 K N 1.050 121.441 120.400 -0.014 0.000 2.032 60 K HA -0.242 4.147 4.320 0.113 0.000 0.209 60 K C 1.889 178.500 176.600 0.019 0.000 1.048 60 K CA 1.764 58.069 56.287 0.029 0.000 0.927 60 K CB -0.743 31.778 32.500 0.035 0.000 0.712 60 K HN 0.097 nan 8.250 nan 0.000 0.441 61 N N 0.336 119.025 118.700 -0.019 0.000 2.043 61 N HA -0.148 4.660 4.740 0.113 0.000 0.193 61 N C 1.673 177.145 175.510 -0.063 0.000 1.037 61 N CA 1.928 54.966 53.050 -0.021 0.000 0.851 61 N CB -0.305 38.166 38.487 -0.027 0.000 1.027 61 N HN 0.287 nan 8.380 nan 0.000 0.422 62 L N -0.069 121.054 121.223 -0.167 0.000 2.046 62 L HA -0.119 4.289 4.340 0.113 0.000 0.208 62 L C 2.283 179.119 176.870 -0.058 0.000 1.077 62 L CA 0.898 55.619 54.840 -0.199 0.000 0.747 62 L CB -0.408 41.383 42.059 -0.446 0.000 0.896 62 L HN 0.224 nan 8.230 nan 0.000 0.432 63 I N -0.229 120.339 120.570 -0.003 0.000 2.315 63 I HA -0.278 3.960 4.170 0.113 0.000 0.248 63 I C 2.072 178.301 176.117 0.187 0.000 1.117 63 I CA 1.114 62.477 61.300 0.105 0.000 1.404 63 I CB -0.334 37.749 38.000 0.138 0.000 1.071 63 I HN 0.241 nan 8.210 nan 0.000 0.419 64 D N 0.757 121.230 120.400 0.121 0.000 2.117 64 D HA -0.140 4.568 4.640 0.113 0.000 0.197 64 D C 2.355 178.711 176.300 0.093 0.000 0.987 64 D CA 1.181 55.250 54.000 0.115 0.000 0.829 64 D CB -0.201 40.650 40.800 0.085 0.000 0.961 64 D HN 0.286 nan 8.370 nan 0.000 0.460 65 R N -0.422 120.114 120.500 0.060 0.000 2.092 65 R HA -0.068 4.340 4.340 0.113 0.000 0.231 65 R C 2.270 178.603 176.300 0.055 0.000 1.119 65 R CA 0.628 56.748 56.100 0.034 0.000 0.970 65 R CB -0.453 29.841 30.300 -0.011 0.000 0.864 65 R HN 0.200 nan 8.270 nan 0.000 0.440 66 F N 1.638 121.537 119.950 -0.085 0.000 2.171 66 F HA -0.154 4.441 4.527 0.113 0.000 0.300 66 F C 1.948 177.712 175.800 -0.059 0.000 1.090 66 F CA 1.469 59.388 58.000 -0.135 0.000 1.293 66 F CB -0.208 38.653 39.000 -0.232 0.000 1.013 66 F HN -0.156 nan 8.300 nan 0.000 0.486 67 T N 0.269 114.842 114.554 0.032 0.000 2.867 67 T HA -0.130 4.288 4.350 0.113 0.000 0.268 67 T C 1.763 176.506 174.700 0.071 0.000 1.057 67 T CA 1.397 63.557 62.100 0.101 0.000 1.136 67 T CB -0.184 68.845 68.868 0.268 0.000 0.874 67 T HN 0.296 nan 8.240 nan 0.000 0.466 68 E N 0.992 121.215 120.200 0.038 0.000 2.072 68 E HA 0.003 4.421 4.350 0.113 0.000 0.190 68 E C 0.412 177.022 176.600 0.017 0.000 0.982 68 E CA 0.968 57.390 56.400 0.037 0.000 0.803 68 E CB 0.111 29.830 29.700 0.032 0.000 0.755 68 E HN 0.336 nan 8.360 nan 0.000 0.453 69 T N 0.500 115.037 114.554 -0.029 0.000 3.143 69 T HA 0.146 4.564 4.350 0.113 0.000 0.312 69 T C -0.936 173.700 174.700 -0.105 0.000 0.986 69 T CA -0.632 61.458 62.100 -0.017 0.000 1.024 69 T CB 0.967 69.841 68.868 0.011 0.000 1.030 69 T HN 0.026 nan 8.240 nan 0.000 0.448 70 Y N 3.286 123.449 120.300 -0.229 0.000 2.811 70 Y HA 0.244 4.862 4.550 0.113 0.000 0.334 70 Y C 0.227 176.076 175.900 -0.085 0.000 1.247 70 Y CA 0.684 58.576 58.100 -0.346 0.000 1.526 70 Y CB 0.418 38.807 38.460 -0.119 0.000 1.284 70 Y HN 0.530 nan 8.280 nan 0.000 0.586 71 D N 4.835 124.865 120.400 -0.616 0.000 2.616 71 D HA 0.287 4.995 4.640 0.113 0.000 0.238 71 D C 0.005 176.029 176.300 -0.459 0.000 1.354 71 D CA 0.111 53.928 54.000 -0.305 0.000 0.970 71 D CB 1.569 42.335 40.800 -0.057 0.000 1.369 71 D HN 0.741 nan 8.370 nan 0.000 0.585 72 A N 2.717 125.292 122.820 -0.408 0.000 2.015 72 A HA 0.075 4.463 4.320 0.113 0.000 0.219 72 A C 1.919 179.428 177.584 -0.124 0.000 1.163 72 A CA 1.769 53.672 52.037 -0.224 0.000 0.646 72 A CB -0.343 18.701 19.000 0.074 0.000 0.806 72 A HN 0.587 nan 8.150 nan 0.000 0.448 73 G N -0.153 108.605 108.800 -0.070 0.000 2.408 73 G HA2 -0.127 3.901 3.960 0.113 0.000 0.217 73 G HA3 -0.127 3.901 3.960 0.113 0.000 0.217 73 G C 1.521 176.366 174.900 -0.092 0.000 1.150 73 G CA 0.951 46.034 45.100 -0.028 0.000 0.776 73 G HN 0.429 nan 8.290 nan 0.000 0.542 74 L N -0.244 120.897 121.223 -0.136 0.000 2.056 74 L HA -0.080 4.328 4.340 0.113 0.000 0.207 74 L C 2.953 179.581 176.870 -0.403 0.000 1.078 74 L CA 1.365 56.069 54.840 -0.226 0.000 0.749 74 L CB -0.500 41.461 42.059 -0.163 0.000 0.901 74 L HN 0.314 nan 8.230 nan 0.000 0.433 75 Q N 0.175 119.660 119.800 -0.525 0.000 2.112 75 Q HA -0.272 4.136 4.340 0.113 0.000 0.206 75 Q C 2.461 178.167 176.000 -0.490 0.000 0.987 75 Q CA 1.614 56.983 55.803 -0.724 0.000 0.858 75 Q CB -0.066 28.384 28.738 -0.479 0.000 0.905 75 Q HN 0.237 nan 8.270 nan 0.000 0.420 76 R N 0.576 120.903 120.500 -0.288 0.000 2.083 76 R HA -0.166 4.242 4.340 0.113 0.000 0.237 76 R C 2.062 178.236 176.300 -0.209 0.000 1.137 76 R CA 1.964 57.941 56.100 -0.205 0.000 0.951 76 R CB -0.222 30.014 30.300 -0.106 0.000 0.851 76 R HN 0.308 nan 8.270 nan 0.000 0.434 77 R N -0.084 120.319 120.500 -0.161 0.000 2.081 77 R HA -0.044 4.364 4.340 0.113 0.000 0.235 77 R C 2.512 178.765 176.300 -0.078 0.000 1.131 77 R CA 1.645 57.721 56.100 -0.040 0.000 0.960 77 R CB -0.388 29.940 30.300 0.047 0.000 0.856 77 R HN 0.268 nan 8.270 nan 0.000 0.436 78 I N 1.005 121.446 120.570 -0.216 0.000 2.163 78 I HA -0.286 3.952 4.170 0.113 0.000 0.243 78 I C 2.132 177.882 176.117 -0.612 0.000 1.085 78 I CA 1.529 62.544 61.300 -0.475 0.000 1.347 78 I CB -0.288 37.201 38.000 -0.851 0.000 1.044 78 I HN 0.228 nan 8.210 nan 0.000 0.408 79 E N 0.340 120.128 120.200 -0.686 0.000 2.085 79 E HA -0.285 4.133 4.350 0.113 0.000 0.194 79 E C 2.258 178.681 176.600 -0.295 0.000 0.994 79 E CA 1.286 57.243 56.400 -0.738 0.000 0.801 79 E CB -0.118 29.110 29.700 -0.786 0.000 0.743 79 E HN 0.567 nan 8.360 nan 0.000 0.453 80 Q N -0.393 119.269 119.800 -0.230 0.000 2.119 80 Q HA -0.188 4.220 4.340 0.113 0.000 0.201 80 Q C 2.022 177.913 176.000 -0.181 0.000 0.972 80 Q CA 1.269 56.990 55.803 -0.137 0.000 0.847 80 Q CB -0.235 28.445 28.738 -0.096 0.000 0.903 80 Q HN 0.365 nan 8.270 nan 0.000 0.433 81 Y N 1.388 121.417 120.300 -0.451 0.000 2.128 81 Y HA -0.254 4.364 4.550 0.113 0.000 0.284 81 Y C 1.799 177.450 175.900 -0.415 0.000 1.154 81 Y CA 1.492 59.223 58.100 -0.615 0.000 1.149 81 Y CB -0.256 37.316 38.460 -1.480 0.000 0.976 81 Y HN 0.008 nan 8.280 nan 0.000 0.505 82 I N -0.045 120.228 120.570 -0.494 0.000 2.179 82 I HA -0.315 3.923 4.170 0.113 0.000 0.242 82 I C 2.474 178.447 176.117 -0.239 0.000 1.088 82 I CA 1.983 63.057 61.300 -0.378 0.000 1.357 82 I CB -0.752 37.237 38.000 -0.017 0.000 1.051 82 I HN 0.411 nan 8.210 nan 0.000 0.409 83 T N -0.810 113.686 114.554 -0.097 0.000 2.867 83 T HA -0.035 4.383 4.350 0.113 0.000 0.268 83 T C 1.990 176.592 174.700 -0.162 0.000 1.057 83 T CA 0.819 62.873 62.100 -0.077 0.000 1.136 83 T CB -0.458 68.418 68.868 0.013 0.000 0.874 83 T HN 0.333 nan 8.240 nan 0.000 0.466 84 A N 1.714 124.400 122.820 -0.222 0.000 2.024 84 A HA -0.139 4.249 4.320 0.113 0.000 0.220 84 A C 2.469 179.874 177.584 -0.300 0.000 1.164 84 A CA 1.320 53.212 52.037 -0.241 0.000 0.643 84 A CB -0.587 18.271 19.000 -0.236 0.000 0.806 84 A HN 0.466 nan 8.150 nan 0.000 0.451 85 Q N -0.364 119.215 119.800 -0.369 0.000 2.297 85 Q HA -0.038 4.370 4.340 0.113 0.000 0.204 85 Q C 2.205 178.052 176.000 -0.254 0.000 0.962 85 Q CA 1.192 56.780 55.803 -0.358 0.000 0.879 85 Q CB -0.910 27.584 28.738 -0.408 0.000 0.947 85 Q HN 0.509 nan 8.270 nan 0.000 0.462 86 V N 0.882 120.674 119.914 -0.203 0.000 2.287 86 V HA -0.259 3.929 4.120 0.113 0.000 0.248 86 V C 2.199 178.206 176.094 -0.145 0.000 1.053 86 V CA 2.250 64.461 62.300 -0.148 0.000 1.027 86 V CB -0.985 30.767 31.823 -0.118 0.000 0.646 86 V HN 0.354 nan 8.190 nan 0.000 0.447 87 T N 0.394 114.851 114.554 -0.161 0.000 2.708 87 T HA -0.115 4.303 4.350 0.113 0.000 0.266 87 T C 1.895 176.473 174.700 -0.203 0.000 1.037 87 T CA 1.588 63.596 62.100 -0.153 0.000 1.146 87 T CB -0.303 68.478 68.868 -0.145 0.000 0.865 87 T HN 0.283 nan 8.240 nan 0.000 0.435 88 L N 0.766 121.803 121.223 -0.308 0.000 2.046 88 L HA -0.136 4.272 4.340 0.113 0.000 0.208 88 L C 2.954 179.635 176.870 -0.315 0.000 1.077 88 L CA 1.383 55.937 54.840 -0.477 0.000 0.747 88 L CB -0.637 40.980 42.059 -0.736 0.000 0.896 88 L HN 0.314 nan 8.230 nan 0.000 0.432 89 Q N -0.232 119.435 119.800 -0.222 0.000 2.124 89 Q HA -0.159 4.249 4.340 0.113 0.000 0.202 89 Q C 2.220 178.173 176.000 -0.079 0.000 0.977 89 Q CA 1.435 57.160 55.803 -0.129 0.000 0.850 89 Q CB -0.367 28.308 28.738 -0.105 0.000 0.901 89 Q HN 0.630 nan 8.270 nan 0.000 0.429 90 G N 0.549 109.300 108.800 -0.082 0.000 2.534 90 G HA2 -0.045 3.983 3.960 0.113 0.000 0.217 90 G HA3 -0.045 3.983 3.960 0.113 0.000 0.217 90 G C 0.605 175.489 174.900 -0.028 0.000 1.128 90 G CA -0.088 44.985 45.100 -0.046 0.000 0.784 90 G HN 0.112 nan 8.290 nan 0.000 0.542 91 L N 1.626 122.832 121.223 -0.030 0.000 2.455 91 L HA 0.190 4.598 4.340 0.113 0.000 0.272 91 L C 0.744 177.637 176.870 0.038 0.000 1.174 91 L CA -0.334 54.516 54.840 0.017 0.000 0.869 91 L CB 1.240 43.335 42.059 0.061 0.000 1.130 91 L HN 0.036 nan 8.230 nan 0.000 0.474 92 S N 3.279 118.998 115.700 0.031 0.000 2.523 92 S HA 0.376 4.914 4.470 0.113 0.000 0.275 92 S C -0.354 174.268 174.600 0.036 0.000 1.281 92 S CA -0.662 57.553 58.200 0.025 0.000 1.050 92 S CB 0.250 63.458 63.200 0.014 0.000 0.937 92 S HN 0.796 nan 8.310 nan 0.000 0.492 93 N N 3.408 122.121 118.700 0.022 0.000 2.853 93 N HA 0.538 5.346 4.740 0.113 0.000 0.258 93 N C -2.825 172.667 175.510 -0.030 0.000 1.444 93 N CA -1.526 51.525 53.050 0.002 0.000 0.837 93 N CB 0.367 38.866 38.487 0.019 0.000 1.489 93 N HN 0.124 nan 8.380 nan 0.000 0.529 94 P HA -0.038 nan 4.420 nan 0.000 0.221 94 P C 0.479 177.758 177.300 -0.035 0.000 1.145 94 P CA 1.182 64.252 63.100 -0.050 0.000 0.795 94 P CB 0.148 31.806 31.700 -0.069 0.000 0.775 95 S N -1.728 113.946 115.700 -0.044 0.000 2.461 95 S HA 0.293 4.831 4.470 0.113 0.000 0.228 95 S C 1.186 175.766 174.600 -0.033 0.000 1.005 95 S CA 0.945 59.125 58.200 -0.033 0.000 0.942 95 S CB -0.262 62.911 63.200 -0.045 0.000 0.776 95 S HN 0.410 nan 8.310 nan 0.000 0.514 96 G N 0.672 109.455 108.800 -0.028 0.000 2.302 96 G HA2 0.236 4.264 3.960 0.113 0.000 0.264 96 G HA3 0.236 4.264 3.960 0.113 0.000 0.264 96 G C -0.771 174.118 174.900 -0.019 0.000 1.335 96 G CA -0.289 44.797 45.100 -0.024 0.000 0.982 96 G HN 0.685 nan 8.290 nan 0.000 0.473 97 S N -1.435 114.251 115.700 -0.024 0.000 2.745 97 S HA 0.692 5.230 4.470 0.113 0.000 0.306 97 S C 0.900 175.469 174.600 -0.052 0.000 1.137 97 S CA 0.204 58.392 58.200 -0.021 0.000 0.900 97 S CB 1.722 64.918 63.200 -0.005 0.000 1.176 97 S HN 1.691 nan 8.310 nan 0.000 0.520 98 L N 1.258 122.457 121.223 -0.040 0.000 2.217 98 L HA 0.255 4.663 4.340 0.113 0.000 0.211 98 L C 2.599 179.432 176.870 -0.062 0.000 1.107 98 L CA 2.142 56.945 54.840 -0.062 0.000 0.783 98 L CB -1.562 40.495 42.059 -0.003 0.000 0.919 98 L HN 0.939 nan 8.230 nan 0.000 0.442 99 A N 0.263 123.084 122.820 0.001 0.000 1.903 99 A HA -0.262 4.126 4.320 0.113 0.000 0.219 99 A C 1.702 179.342 177.584 0.093 0.000 1.191 99 A CA 2.172 54.246 52.037 0.062 0.000 0.638 99 A CB -0.877 18.153 19.000 0.050 0.000 0.823 99 A HN 0.688 nan 8.150 nan 0.000 0.451 100 D N -3.503 116.896 120.400 -0.002 0.000 2.440 100 D HA 0.347 5.055 4.640 0.113 0.000 0.216 100 D C 1.070 177.236 176.300 -0.223 0.000 1.150 100 D CA 0.846 54.869 54.000 0.039 0.000 0.832 100 D CB -0.377 40.484 40.800 0.101 0.000 0.992 100 D HN 0.860 nan 8.370 nan 0.000 0.502 101 G N 0.801 109.152 108.800 -0.747 0.000 2.234 101 G HA2 -0.415 3.613 3.960 0.113 0.000 0.260 101 G HA3 -0.415 3.613 3.960 0.113 0.000 0.260 101 G C 1.378 176.191 174.900 -0.144 0.000 0.987 101 G CA 1.002 45.528 45.100 -0.958 0.000 0.625 101 G HN 0.697 nan 8.290 nan 0.000 0.532 102 S N 0.394 116.029 115.700 -0.110 0.000 2.399 102 S HA 0.109 4.647 4.470 0.113 0.000 0.231 102 S C 2.493 177.057 174.600 -0.061 0.000 1.022 102 S CA 1.661 59.781 58.200 -0.133 0.000 0.983 102 S CB -0.899 62.222 63.200 -0.131 0.000 0.803 102 S HN 1.656 nan 8.310 nan 0.000 0.480 103 G N 1.796 110.555 108.800 -0.068 0.000 2.479 103 G HA2 -0.042 3.986 3.960 0.113 0.000 0.220 103 G HA3 -0.042 3.986 3.960 0.113 0.000 0.220 103 G C 1.334 176.197 174.900 -0.062 0.000 1.115 103 G CA 0.812 45.885 45.100 -0.046 0.000 0.757 103 G HN 0.559 nan 8.290 nan 0.000 0.560 104 L N 0.653 121.787 121.223 -0.147 0.000 2.362 104 L HA 0.086 4.494 4.340 0.113 0.000 0.219 104 L C 2.809 179.415 176.870 -0.440 0.000 1.134 104 L CA 0.556 55.228 54.840 -0.279 0.000 0.807 104 L CB -0.196 41.640 42.059 -0.372 0.000 0.927 104 L HN 0.282 nan 8.230 nan 0.000 0.447 105 G N -0.573 107.980 108.800 -0.413 0.000 2.848 105 G HA2 -0.135 3.893 3.960 0.113 0.000 0.208 105 G HA3 -0.135 3.893 3.960 0.113 0.000 0.208 105 G C 0.512 175.353 174.900 -0.099 0.000 1.152 105 G CA -0.249 44.700 45.100 -0.252 0.000 0.789 105 G HN 0.224 nan 8.290 nan 0.000 0.531 106 E N 1.201 121.336 120.200 -0.109 0.000 2.366 106 E HA 0.188 4.606 4.350 0.113 0.000 0.266 106 E C -1.255 175.200 176.600 -0.241 0.000 1.015 106 E CA -1.765 54.519 56.400 -0.194 0.000 0.906 106 E CB 1.326 30.847 29.700 -0.297 0.000 0.979 106 E HN 0.036 nan 8.360 nan 0.000 0.443 107 P HA -0.061 nan 4.420 nan 0.000 0.216 107 P C -0.790 176.242 177.300 -0.446 0.000 1.153 107 P CA 1.310 64.320 63.100 -0.150 0.000 0.844 107 P CB 0.104 31.827 31.700 0.039 0.000 0.787 108 K N -2.237 117.605 120.400 -0.930 0.000 2.536 108 K HA 0.565 4.953 4.320 0.113 0.000 0.269 108 K C -1.491 174.404 176.600 -1.176 0.000 0.965 108 K CA -0.798 54.792 56.287 -1.161 0.000 0.860 108 K CB 1.195 32.436 32.500 -2.099 0.000 1.423 108 K HN -0.211 nan 8.250 nan 0.000 0.438 109 F N 0.244 119.933 119.950 -0.435 0.000 2.629 109 F HA 0.339 4.934 4.527 0.113 0.000 0.316 109 F C -0.022 175.746 175.800 -0.054 0.000 1.081 109 F CA -1.026 56.868 58.000 -0.177 0.000 0.954 109 F CB 1.711 40.640 39.000 -0.119 0.000 1.337 109 F HN 0.404 nan 8.300 nan 0.000 0.474 110 E N 1.244 121.606 120.200 0.270 0.000 2.390 110 E HA 0.142 4.560 4.350 0.113 0.000 0.261 110 E C 0.697 177.349 176.600 0.087 0.000 1.076 110 E CA -0.034 56.494 56.400 0.213 0.000 0.905 110 E CB 0.901 30.745 29.700 0.240 0.000 0.984 110 E HN 0.614 nan 8.360 nan 0.000 0.427 111 L N 1.148 122.353 121.223 -0.030 0.000 2.551 111 L HA -0.106 4.302 4.340 0.113 0.000 0.228 111 L C 2.062 178.912 176.870 -0.034 0.000 1.153 111 L CA 1.009 55.797 54.840 -0.087 0.000 0.851 111 L CB -0.395 41.514 42.059 -0.250 0.000 0.959 111 L HN 0.564 nan 8.230 nan 0.000 0.451 112 T N -3.217 111.344 114.554 0.012 0.000 3.160 112 T HA 0.075 4.493 4.350 0.113 0.000 0.257 112 T C 0.946 175.654 174.700 0.013 0.000 1.147 112 T CA -0.239 61.876 62.100 0.025 0.000 1.064 112 T CB -0.285 68.619 68.868 0.060 0.000 0.949 112 T HN 0.260 nan 8.240 nan 0.000 0.526 113 L N -0.462 120.763 121.223 0.004 0.000 3.548 113 L HA -0.178 4.230 4.340 0.113 0.000 0.443 113 L C -0.098 176.778 176.870 0.009 0.000 1.286 113 L CA 0.493 55.310 54.840 -0.039 0.000 0.863 113 L CB -1.905 40.094 42.059 -0.101 0.000 1.734 113 L HN 0.422 nan 8.230 nan 0.000 0.873 114 K N -0.180 120.280 120.400 0.099 0.000 2.350 114 K HA 0.689 5.077 4.320 0.113 0.000 0.241 114 K C -2.438 174.301 176.600 0.233 0.000 0.994 114 K CA -1.965 54.402 56.287 0.133 0.000 0.839 114 K CB 1.734 34.302 32.500 0.112 0.000 1.244 114 K HN -0.249 nan 8.250 nan 0.000 0.443 115 P HA 0.000 nan 4.420 nan 0.000 0.271 115 P C -0.941 176.422 177.300 0.105 0.000 1.218 115 P CA -0.149 63.051 63.100 0.168 0.000 0.780 115 P CB 0.261 32.007 31.700 0.078 0.000 0.901 116 F N 2.875 122.718 119.950 -0.178 0.000 2.421 116 F HA 0.212 4.806 4.527 0.113 0.000 0.358 116 F C 1.263 176.926 175.800 -0.229 0.000 1.115 116 F CA 0.040 57.883 58.000 -0.260 0.000 1.160 116 F CB 0.528 39.172 39.000 -0.594 0.000 1.123 116 F HN 0.287 nan 8.300 nan 0.000 0.508 117 T N 1.897 116.021 114.554 -0.718 0.000 3.081 117 T HA 0.303 4.721 4.350 0.113 0.000 0.250 117 T C 1.046 175.347 174.700 -0.664 0.000 1.100 117 T CA 0.211 62.010 62.100 -0.502 0.000 1.038 117 T CB -0.494 68.240 68.868 -0.224 0.000 0.962 117 T HN 0.641 nan 8.240 nan 0.000 0.516 118 G N 1.623 109.584 108.800 -1.398 0.000 2.651 118 G HA2 0.380 4.408 3.960 0.113 0.000 0.260 118 G HA3 0.380 4.408 3.960 0.113 0.000 0.260 118 G C -0.269 174.462 174.900 -0.283 0.000 1.216 118 G CA -0.804 43.816 45.100 -0.799 0.000 0.913 118 G HN 0.313 nan 8.290 nan 0.000 0.535 119 N N -0.220 118.476 118.700 -0.007 0.000 2.518 119 N HA 0.217 5.025 4.740 0.113 0.000 0.266 119 N C -0.612 175.102 175.510 0.340 0.000 1.196 119 N CA 0.251 53.363 53.050 0.103 0.000 0.947 119 N CB 1.103 39.622 38.487 0.052 0.000 1.098 119 N HN 0.627 nan 8.380 nan 0.000 0.450 120 W N -0.653 120.605 121.300 -0.071 0.000 3.059 120 W HA 0.282 5.010 4.660 0.114 0.000 0.329 120 W C -0.566 175.755 176.519 -0.331 0.000 1.246 120 W CA -0.892 56.366 57.345 -0.144 0.000 1.190 120 W CB 1.473 30.875 29.460 -0.097 0.000 1.423 120 W HN 0.522 nan 8.180 nan 0.000 0.571 121 G N 3.273 111.486 108.800 -0.977 0.000 2.588 121 G HA2 0.392 4.420 3.960 0.113 0.000 0.297 121 G HA3 0.392 4.420 3.960 0.113 0.000 0.297 121 G C -0.394 174.093 174.900 -0.688 0.000 0.874 121 G CA -0.209 43.972 45.100 -1.532 0.000 1.607 121 G HN 0.335 nan 8.290 nan 0.000 0.486 122 R N 2.422 122.789 120.500 -0.222 0.000 2.807 122 R HA 0.747 5.155 4.340 0.113 0.000 0.276 122 R C -2.780 173.689 176.300 0.281 0.000 0.979 122 R CA -1.868 54.302 56.100 0.117 0.000 0.928 122 R CB 1.903 32.245 30.300 0.070 0.000 1.191 122 R HN 0.199 nan 8.270 nan 0.000 0.471 123 P HA 0.175 nan 4.420 nan 0.000 0.279 123 P C -1.209 176.239 177.300 0.245 0.000 1.276 123 P CA -0.672 62.529 63.100 0.169 0.000 0.801 123 P CB 0.915 32.683 31.700 0.114 0.000 1.127 124 Q N 0.080 119.989 119.800 0.182 0.000 2.320 124 Q HA 0.314 4.722 4.340 0.113 0.000 0.268 124 Q C 0.582 176.675 176.000 0.156 0.000 1.023 124 Q CA -0.380 55.543 55.803 0.201 0.000 0.744 124 Q CB 2.085 30.947 28.738 0.207 0.000 1.246 124 Q HN 0.308 nan 8.270 nan 0.000 0.462 125 R N 1.183 121.804 120.500 0.201 0.000 2.310 125 R HA -0.046 4.362 4.340 0.113 0.000 0.202 125 R C 0.662 177.082 176.300 0.201 0.000 0.933 125 R CA 0.459 56.721 56.100 0.271 0.000 1.054 125 R CB 0.311 30.830 30.300 0.365 0.000 0.985 125 R HN 0.658 nan 8.270 nan 0.000 0.489 126 D N 0.189 120.674 120.400 0.141 0.000 2.234 126 D HA -0.079 4.630 4.640 0.113 0.000 0.205 126 D C 1.699 178.020 176.300 0.034 0.000 0.962 126 D CA 1.025 55.073 54.000 0.080 0.000 0.855 126 D CB -0.405 40.477 40.800 0.138 0.000 0.951 126 D HN 0.144 nan 8.370 nan 0.000 0.500 127 G N 2.092 110.913 108.800 0.035 0.000 2.514 127 G HA2 -0.227 3.801 3.960 0.113 0.000 0.217 127 G HA3 -0.227 3.801 3.960 0.113 0.000 0.217 127 G C -0.515 174.358 174.900 -0.045 0.000 1.198 127 G CA 1.046 46.149 45.100 0.004 0.000 0.780 127 G HN 0.345 nan 8.290 nan 0.000 0.565 128 P HA -0.036 nan 4.420 nan 0.000 0.216 128 P C 2.172 179.443 177.300 -0.048 0.000 1.150 128 P CA 1.936 64.969 63.100 -0.112 0.000 0.837 128 P CB -0.139 31.440 31.700 -0.202 0.000 0.786 129 A N -0.569 122.235 122.820 -0.026 0.000 1.877 129 A HA -0.171 4.217 4.320 0.113 0.000 0.216 129 A C 2.197 179.719 177.584 -0.103 0.000 1.186 129 A CA 1.511 53.508 52.037 -0.067 0.000 0.620 129 A CB -1.640 17.310 19.000 -0.082 0.000 0.822 129 A HN 0.110 nan 8.150 nan 0.000 0.443 130 L N -1.284 119.881 121.223 -0.096 0.000 2.056 130 L HA -0.143 4.265 4.340 0.113 0.000 0.207 130 L C 2.790 179.640 176.870 -0.034 0.000 1.078 130 L CA 1.655 56.438 54.840 -0.095 0.000 0.749 130 L CB -0.480 41.526 42.059 -0.088 0.000 0.901 130 L HN 0.457 nan 8.230 nan 0.000 0.433 131 R N 0.454 120.949 120.500 -0.008 0.000 2.081 131 R HA -0.180 4.228 4.340 0.113 0.000 0.235 131 R C 2.372 178.679 176.300 0.012 0.000 1.131 131 R CA 1.481 57.599 56.100 0.031 0.000 0.960 131 R CB -0.248 30.047 30.300 -0.008 0.000 0.856 131 R HN 0.328 nan 8.270 nan 0.000 0.436 132 A N 1.072 123.873 122.820 -0.032 0.000 1.883 132 A HA -0.170 4.218 4.320 0.113 0.000 0.217 132 A C 2.165 179.745 177.584 -0.006 0.000 1.186 132 A CA 1.625 53.639 52.037 -0.038 0.000 0.624 132 A CB -0.582 18.366 19.000 -0.086 0.000 0.822 132 A HN 0.382 nan 8.150 nan 0.000 0.444 133 I N -0.226 120.323 120.570 -0.035 0.000 2.208 133 I HA -0.323 3.915 4.170 0.113 0.000 0.245 133 I C 2.970 179.112 176.117 0.042 0.000 1.097 133 I CA 1.157 62.439 61.300 -0.030 0.000 1.363 133 I CB -0.320 37.617 38.000 -0.106 0.000 1.051 133 I HN 0.375 nan 8.210 nan 0.000 0.413 134 A N 0.502 123.361 122.820 0.065 0.000 1.877 134 A HA -0.174 4.214 4.320 0.113 0.000 0.216 134 A C 2.132 179.822 177.584 0.177 0.000 1.186 134 A CA 1.527 53.639 52.037 0.126 0.000 0.620 134 A CB -0.755 18.341 19.000 0.162 0.000 0.822 134 A HN 0.292 nan 8.150 nan 0.000 0.443 135 L N -0.239 121.082 121.223 0.162 0.000 2.093 135 L HA -0.073 4.335 4.340 0.113 0.000 0.208 135 L C 2.341 179.344 176.870 0.222 0.000 1.085 135 L CA 1.328 56.283 54.840 0.192 0.000 0.755 135 L CB -0.593 41.537 42.059 0.117 0.000 0.904 135 L HN 0.392 nan 8.230 nan 0.000 0.435 136 I N -1.005 119.668 120.570 0.172 0.000 2.286 136 I HA -0.227 4.011 4.170 0.113 0.000 0.248 136 I C 2.515 178.751 176.117 0.199 0.000 1.115 136 I CA 1.274 62.682 61.300 0.180 0.000 1.392 136 I CB -0.964 37.118 38.000 0.137 0.000 1.065 136 I HN 0.338 nan 8.210 nan 0.000 0.418 137 G N 0.235 109.154 108.800 0.199 0.000 2.491 137 G HA2 -0.348 3.680 3.960 0.113 0.000 0.218 137 G HA3 -0.348 3.680 3.960 0.113 0.000 0.218 137 G C 1.645 176.739 174.900 0.324 0.000 1.180 137 G CA 0.893 46.132 45.100 0.231 0.000 0.774 137 G HN 0.327 nan 8.290 nan 0.000 0.562 138 Y N 2.024 122.440 120.300 0.193 0.000 2.242 138 Y HA -0.071 4.546 4.550 0.113 0.000 0.291 138 Y C 3.144 179.237 175.900 0.321 0.000 1.137 138 Y CA 1.218 59.455 58.100 0.228 0.000 1.181 138 Y CB -0.351 38.179 38.460 0.117 0.000 0.989 138 Y HN 0.231 nan 8.280 nan 0.000 0.527 139 S N 0.234 116.073 115.700 0.232 0.000 2.374 139 S HA -0.249 4.289 4.470 0.113 0.000 0.227 139 S C 1.920 176.599 174.600 0.133 0.000 1.037 139 S CA 1.753 60.049 58.200 0.160 0.000 1.024 139 S CB -0.283 63.037 63.200 0.201 0.000 0.861 139 S HN 0.455 nan 8.310 nan 0.000 0.456 140 K N -0.200 120.300 120.400 0.167 0.000 2.044 140 K HA -0.210 4.178 4.320 0.113 0.000 0.210 140 K C 1.869 178.560 176.600 0.151 0.000 1.049 140 K CA 1.771 58.144 56.287 0.145 0.000 0.927 140 K CB -0.279 32.321 32.500 0.166 0.000 0.713 140 K HN 0.497 nan 8.250 nan 0.000 0.443 141 W N 1.714 123.040 121.300 0.044 0.000 2.355 141 W HA -0.162 4.565 4.660 0.113 0.000 0.309 141 W C 1.607 178.145 176.519 0.030 0.000 1.206 141 W CA 1.305 58.688 57.345 0.063 0.000 1.284 141 W CB -0.257 29.311 29.460 0.179 0.000 1.145 141 W HN -0.059 nan 8.180 nan 0.000 0.502 142 L N 0.144 121.485 121.223 0.197 0.000 2.012 142 L HA -0.283 4.125 4.340 0.113 0.000 0.210 142 L C 2.429 179.308 176.870 0.014 0.000 1.073 142 L CA 1.707 56.638 54.840 0.152 0.000 0.748 142 L CB -1.008 41.136 42.059 0.142 0.000 0.891 142 L HN 0.043 nan 8.230 nan 0.000 0.431 143 I N 0.030 120.596 120.570 -0.006 0.000 2.163 143 I HA -0.312 3.926 4.170 0.113 0.000 0.243 143 I C 2.090 178.123 176.117 -0.141 0.000 1.085 143 I CA 1.268 62.537 61.300 -0.052 0.000 1.347 143 I CB -0.461 37.527 38.000 -0.021 0.000 1.044 143 I HN 0.355 nan 8.210 nan 0.000 0.408 144 N N 0.925 119.518 118.700 -0.180 0.000 2.364 144 N HA -0.129 4.679 4.740 0.113 0.000 0.183 144 N C 0.887 176.184 175.510 -0.355 0.000 1.022 144 N CA 0.976 53.884 53.050 -0.236 0.000 0.883 144 N CB -0.397 37.957 38.487 -0.222 0.000 0.965 144 N HN 0.440 nan 8.380 nan 0.000 0.438 145 N N 1.078 119.488 118.700 -0.483 0.000 2.273 145 N HA 0.074 4.882 4.740 0.113 0.000 0.231 145 N C -0.683 174.406 175.510 -0.702 0.000 1.134 145 N CA -0.068 52.635 53.050 -0.578 0.000 0.856 145 N CB 0.306 38.298 38.487 -0.825 0.000 1.068 145 N HN 0.090 nan 8.380 nan 0.000 0.510 146 N N 0.309 118.715 118.700 -0.489 0.000 2.780 146 N HA -0.198 4.610 4.740 0.113 0.000 0.248 146 N C -0.994 174.210 175.510 -0.510 0.000 1.102 146 N CA 0.671 53.450 53.050 -0.453 0.000 0.697 146 N CB -1.835 36.395 38.487 -0.429 0.000 1.028 146 N HN 0.418 nan 8.380 nan 0.000 0.554 147 Y N 0.052 120.313 120.300 -0.065 0.000 2.699 147 Y HA 0.245 4.863 4.550 0.113 0.000 0.282 147 Y C 1.849 177.756 175.900 0.012 0.000 1.058 147 Y CA -0.455 57.647 58.100 0.002 0.000 1.194 147 Y CB 0.157 38.654 38.460 0.061 0.000 1.193 147 Y HN 0.163 nan 8.280 nan 0.000 0.562 148 Q N 0.805 120.648 119.800 0.071 0.000 2.135 148 Q HA -0.217 4.191 4.340 0.113 0.000 0.204 148 Q C 2.218 178.254 176.000 0.060 0.000 0.981 148 Q CA 2.446 58.276 55.803 0.044 0.000 0.856 148 Q CB 0.175 28.906 28.738 -0.013 0.000 0.902 148 Q HN 0.594 nan 8.270 nan 0.000 0.425 149 S N -0.823 114.917 115.700 0.066 0.000 2.387 149 S HA -0.197 4.341 4.470 0.113 0.000 0.230 149 S C 1.930 176.574 174.600 0.073 0.000 1.035 149 S CA 1.708 59.944 58.200 0.059 0.000 1.014 149 S CB -0.919 62.318 63.200 0.061 0.000 0.836 149 S HN 0.387 nan 8.310 nan 0.000 0.466 150 T N 2.246 116.872 114.554 0.121 0.000 2.777 150 T HA -0.009 4.409 4.350 0.113 0.000 0.266 150 T C 1.933 176.694 174.700 0.101 0.000 1.040 150 T CA 1.315 63.479 62.100 0.106 0.000 1.141 150 T CB -0.596 68.388 68.868 0.195 0.000 0.868 150 T HN 0.308 nan 8.240 nan 0.000 0.444 151 V N 1.487 121.484 119.914 0.140 0.000 2.255 151 V HA -0.195 3.993 4.120 0.113 0.000 0.247 151 V C 2.721 178.907 176.094 0.152 0.000 1.051 151 V CA 1.968 64.362 62.300 0.156 0.000 1.018 151 V CB -0.939 30.963 31.823 0.132 0.000 0.641 151 V HN 0.422 nan 8.190 nan 0.000 0.445 152 S N 0.332 116.089 115.700 0.096 0.000 2.383 152 S HA -0.181 4.357 4.470 0.113 0.000 0.229 152 S C 1.838 176.510 174.600 0.121 0.000 1.030 152 S CA 1.651 59.906 58.200 0.091 0.000 1.002 152 S CB -0.378 62.834 63.200 0.019 0.000 0.829 152 S HN 0.633 nan 8.310 nan 0.000 0.467 153 N N 0.374 119.113 118.700 0.066 0.000 2.305 153 N HA 0.074 4.882 4.740 0.113 0.000 0.179 153 N C 1.641 177.144 175.510 -0.011 0.000 1.019 153 N CA 0.855 53.922 53.050 0.028 0.000 0.869 153 N CB -0.186 38.300 38.487 -0.001 0.000 1.000 153 N HN 0.245 nan 8.380 nan 0.000 0.431 154 V N 0.895 120.775 119.914 -0.057 0.000 2.581 154 V HA 0.148 4.336 4.120 0.113 0.000 0.240 154 V C 2.108 178.168 176.094 -0.056 0.000 1.054 154 V CA 0.647 62.849 62.300 -0.163 0.000 1.076 154 V CB 0.092 31.619 31.823 -0.494 0.000 0.748 154 V HN 0.072 nan 8.190 nan 0.000 0.474 155 I N -0.970 119.635 120.570 0.059 0.000 2.556 155 I HA -0.114 4.124 4.170 0.113 0.000 0.251 155 I C 2.377 178.587 176.117 0.154 0.000 1.105 155 I CA 1.070 62.449 61.300 0.132 0.000 1.436 155 I CB -0.282 37.860 38.000 0.238 0.000 1.139 155 I HN 0.458 nan 8.210 nan 0.000 0.438 156 W N 3.912 125.230 121.300 0.029 0.000 2.338 156 W HA -0.152 4.575 4.660 0.112 0.000 0.304 156 W C -0.981 175.555 176.519 0.029 0.000 1.212 156 W CA 1.773 59.139 57.345 0.035 0.000 1.264 156 W CB -1.272 28.212 29.460 0.039 0.000 1.142 156 W HN 0.061 nan 8.180 nan 0.000 0.512 157 P HA -0.186 nan 4.420 nan 0.000 0.218 157 P C 1.609 178.785 177.300 -0.207 0.000 1.149 157 P CA 2.026 65.022 63.100 -0.173 0.000 0.817 157 P CB -0.298 31.375 31.700 -0.044 0.000 0.785 158 I N -1.428 119.050 120.570 -0.153 0.000 2.193 158 I HA -0.173 4.065 4.170 0.113 0.000 0.240 158 I C 2.217 178.220 176.117 -0.190 0.000 1.084 158 I CA 1.173 62.389 61.300 -0.140 0.000 1.365 158 I CB -0.993 36.940 38.000 -0.111 0.000 1.064 158 I HN -0.208 nan 8.210 nan 0.000 0.410 159 V N 1.159 120.935 119.914 -0.230 0.000 2.332 159 V HA -0.305 3.883 4.120 0.113 0.000 0.248 159 V C 2.669 178.475 176.094 -0.480 0.000 1.055 159 V CA 2.118 64.249 62.300 -0.282 0.000 1.038 159 V CB -0.899 30.819 31.823 -0.175 0.000 0.651 159 V HN 0.434 nan 8.190 nan 0.000 0.450 160 R N 0.334 120.352 120.500 -0.805 0.000 2.091 160 R HA -0.199 4.209 4.340 0.113 0.000 0.238 160 R C 2.216 178.348 176.300 -0.280 0.000 1.136 160 R CA 1.966 57.623 56.100 -0.738 0.000 0.959 160 R CB -0.305 29.459 30.300 -0.893 0.000 0.856 160 R HN 0.535 nan 8.270 nan 0.000 0.437 161 N N 1.000 119.602 118.700 -0.163 0.000 2.120 161 N HA -0.160 4.648 4.740 0.113 0.000 0.188 161 N C 1.221 176.835 175.510 0.174 0.000 1.024 161 N CA 1.547 54.650 53.050 0.088 0.000 0.852 161 N CB -0.440 38.123 38.487 0.127 0.000 1.003 161 N HN 0.300 nan 8.380 nan 0.000 0.424 162 D N 0.808 121.219 120.400 0.019 0.000 2.117 162 D HA -0.048 4.660 4.640 0.113 0.000 0.198 162 D C 2.216 178.554 176.300 0.063 0.000 0.982 162 D CA 0.444 54.466 54.000 0.036 0.000 0.828 162 D CB -0.218 40.547 40.800 -0.058 0.000 0.967 162 D HN 0.224 nan 8.370 nan 0.000 0.464 163 L N 0.799 121.957 121.223 -0.108 0.000 2.046 163 L HA -0.172 4.236 4.340 0.113 0.000 0.208 163 L C 2.077 178.948 176.870 0.001 0.000 1.077 163 L CA 0.828 55.514 54.840 -0.256 0.000 0.747 163 L CB -0.427 41.156 42.059 -0.793 0.000 0.896 163 L HN -0.033 nan 8.230 nan 0.000 0.432 164 N N -0.538 118.245 118.700 0.140 0.000 2.166 164 N HA -0.239 4.569 4.740 0.113 0.000 0.186 164 N C 1.696 177.418 175.510 0.353 0.000 1.019 164 N CA 1.208 54.388 53.050 0.218 0.000 0.856 164 N CB -0.477 37.952 38.487 -0.097 0.000 0.993 164 N HN 0.322 nan 8.380 nan 0.000 0.426 165 Y N 1.615 122.151 120.300 0.394 0.000 2.128 165 Y HA -0.219 4.399 4.550 0.114 0.000 0.284 165 Y C 2.205 178.331 175.900 0.376 0.000 1.154 165 Y CA 1.401 59.779 58.100 0.463 0.000 1.149 165 Y CB -0.415 38.235 38.460 0.317 0.000 0.976 165 Y HN -0.172 nan 8.280 nan 0.000 0.505 166 V N 0.376 120.554 119.914 0.440 0.000 2.295 166 V HA -0.348 3.840 4.120 0.113 0.000 0.246 166 V C 2.666 178.949 176.094 0.316 0.000 1.049 166 V CA 1.915 64.419 62.300 0.340 0.000 1.024 166 V CB -1.620 30.326 31.823 0.206 0.000 0.648 166 V HN 0.579 nan 8.190 nan 0.000 0.447 167 A N -0.994 121.987 122.820 0.269 0.000 1.972 167 A HA -0.298 4.090 4.320 0.113 0.000 0.219 167 A C 2.238 179.967 177.584 0.241 0.000 1.169 167 A CA 2.172 54.389 52.037 0.300 0.000 0.635 167 A CB -0.428 18.756 19.000 0.307 0.000 0.810 167 A HN 0.633 nan 8.150 nan 0.000 0.446 168 Q N -2.408 117.423 119.800 0.052 0.000 2.123 168 Q HA -0.053 4.355 4.340 0.113 0.000 0.196 168 Q C 0.851 176.572 176.000 -0.466 0.000 0.958 168 Q CA 1.156 56.796 55.803 -0.271 0.000 0.841 168 Q CB 0.030 28.476 28.738 -0.486 0.000 0.915 168 Q HN 0.729 nan 8.270 nan 0.000 0.455 169 Y N -0.713 119.475 120.300 -0.186 0.000 2.481 169 Y HA 0.038 4.655 4.550 0.111 0.000 0.247 169 Y C 1.357 177.164 175.900 -0.155 0.000 1.151 169 Y CA -0.744 57.177 58.100 -0.298 0.000 1.238 169 Y CB -0.017 38.059 38.460 -0.640 0.000 1.179 169 Y HN 0.361 nan 8.280 nan 0.000 0.524 170 W N 0.515 121.845 121.300 0.050 0.000 2.350 170 W HA -0.194 4.517 4.660 0.085 0.000 0.289 170 W C 0.687 177.245 176.519 0.065 0.000 1.215 170 W CA 1.309 58.709 57.345 0.092 0.000 1.236 170 W CB -0.798 28.721 29.460 0.099 0.000 1.130 170 W HN 0.174 nan 8.180 nan 0.000 0.541 171 N N 1.250 119.292 118.700 -1.096 0.000 2.410 171 N HA -0.006 4.802 4.740 0.113 0.000 0.231 171 N C -0.427 174.768 175.510 -0.526 0.000 1.172 171 N CA 0.131 52.453 53.050 -1.214 0.000 0.849 171 N CB -0.003 37.426 38.487 -1.764 0.000 1.116 171 N HN 0.350 nan 8.380 nan 0.000 0.485 172 Q N 0.238 119.894 119.800 -0.240 0.000 2.394 172 Q HA 0.204 4.612 4.340 0.113 0.000 0.273 172 Q C -0.243 175.750 176.000 -0.012 0.000 1.089 172 Q CA -0.845 54.895 55.803 -0.105 0.000 0.812 172 Q CB 2.017 30.737 28.738 -0.030 0.000 1.353 172 Q HN 0.227 nan 8.270 nan 0.000 0.438 173 T N -1.347 113.194 114.554 -0.021 0.000 2.813 173 T HA 0.681 5.099 4.350 0.113 0.000 0.297 173 T C 0.438 175.135 174.700 -0.007 0.000 1.036 173 T CA 0.109 62.205 62.100 -0.006 0.000 1.044 173 T CB 1.082 69.917 68.868 -0.055 0.000 0.993 173 T HN 0.774 nan 8.240 nan 0.000 0.535 174 G N 0.039 108.817 108.800 -0.036 0.000 2.489 174 G HA2 0.495 4.523 3.960 0.113 0.000 0.305 174 G HA3 0.495 4.523 3.960 0.113 0.000 0.305 174 G C -1.588 173.231 174.900 -0.136 0.000 1.311 174 G CA -1.185 43.899 45.100 -0.028 0.000 0.813 174 G HN 0.610 nan 8.290 nan 0.000 0.480 175 F N 1.912 121.899 119.950 0.061 0.000 2.389 175 F HA 0.334 4.932 4.527 0.119 0.000 0.337 175 F C 1.296 177.129 175.800 0.055 0.000 1.112 175 F CA -0.184 57.843 58.000 0.045 0.000 1.192 175 F CB 1.037 40.050 39.000 0.022 0.000 1.185 175 F HN 0.524 nan 8.300 nan 0.000 0.552 176 D N 2.642 123.154 120.400 0.186 0.000 2.414 176 D HA 0.013 4.721 4.640 0.113 0.000 0.251 176 D C 1.328 177.639 176.300 0.019 0.000 1.252 176 D CA -0.383 53.662 54.000 0.074 0.000 0.999 176 D CB 0.474 41.279 40.800 0.009 0.000 1.093 176 D HN 0.654 nan 8.370 nan 0.000 0.515 177 L N -2.684 118.410 121.223 -0.214 0.000 2.275 177 L HA 0.071 4.479 4.340 0.113 0.000 0.215 177 L C 1.589 178.293 176.870 -0.276 0.000 1.119 177 L CA 0.414 55.044 54.840 -0.350 0.000 0.790 177 L CB -0.672 40.915 42.059 -0.787 0.000 0.919 177 L HN 0.363 nan 8.230 nan 0.000 0.443 178 W N 0.891 122.198 121.300 0.012 0.000 3.256 178 W HA 0.178 4.906 4.660 0.114 0.000 0.269 178 W C 0.436 176.945 176.519 -0.017 0.000 1.310 178 W CA -0.288 57.044 57.345 -0.021 0.000 1.673 178 W CB 0.037 29.481 29.460 -0.026 0.000 1.115 178 W HN 0.240 nan 8.180 nan 0.000 0.686 179 E N -0.242 120.078 120.200 0.201 0.000 2.694 179 E HA -0.262 4.156 4.350 0.113 0.000 0.272 179 E C 0.238 176.844 176.600 0.009 0.000 1.040 179 E CA 0.947 57.393 56.400 0.076 0.000 0.809 179 E CB -1.792 27.899 29.700 -0.015 0.000 1.389 179 E HN 0.574 nan 8.360 nan 0.000 0.413 180 E N -0.637 119.698 120.200 0.225 0.000 2.441 180 E HA 0.127 4.545 4.350 0.113 0.000 0.207 180 E C -0.035 176.753 176.600 0.313 0.000 0.803 180 E CA 0.249 56.768 56.400 0.198 0.000 1.240 180 E CB 1.163 30.944 29.700 0.135 0.000 1.233 180 E HN 0.002 nan 8.360 nan 0.000 0.590 181 V N 2.849 122.902 119.914 0.233 0.000 2.357 181 V HA 0.237 4.425 4.120 0.113 0.000 0.284 181 V C -0.638 175.325 176.094 -0.219 0.000 1.018 181 V CA -0.916 61.396 62.300 0.020 0.000 0.841 181 V CB 1.223 33.039 31.823 -0.011 0.000 0.991 181 V HN 0.130 nan 8.190 nan 0.000 0.437 182 N N 4.214 122.615 118.700 -0.498 0.000 2.437 182 N HA 0.651 5.459 4.740 0.113 0.000 0.243 182 N C 0.127 175.446 175.510 -0.319 0.000 1.041 182 N CA 0.789 53.370 53.050 -0.782 0.000 0.940 182 N CB 1.201 39.080 38.487 -1.013 0.000 1.133 182 N HN 0.894 nan 8.380 nan 0.000 0.506 183 G N 0.823 109.509 108.800 -0.190 0.000 2.474 183 G HA2 0.282 4.310 3.960 0.113 0.000 0.234 183 G HA3 0.282 4.310 3.960 0.113 0.000 0.234 183 G C -1.670 173.268 174.900 0.064 0.000 1.204 183 G CA -0.532 44.540 45.100 -0.046 0.000 0.939 183 G HN 0.359 nan 8.290 nan 0.000 0.491 184 S N -0.001 115.804 115.700 0.175 0.000 2.449 184 S HA 0.725 5.263 4.470 0.113 0.000 0.310 184 S C -0.452 174.428 174.600 0.466 0.000 1.096 184 S CA -0.334 58.088 58.200 0.370 0.000 1.095 184 S CB 1.469 65.006 63.200 0.562 0.000 1.007 184 S HN 0.731 nan 8.310 nan 0.000 0.474 185 S N 1.925 117.858 115.700 0.389 0.000 2.473 185 S HA 0.501 5.039 4.470 0.113 0.000 0.307 185 S C 0.599 175.216 174.600 0.028 0.000 1.094 185 S CA -0.718 57.644 58.200 0.269 0.000 1.070 185 S CB 0.395 63.688 63.200 0.155 0.000 1.019 185 S HN 0.611 nan 8.310 nan 0.000 0.480 186 F N 4.693 124.390 119.950 -0.421 0.000 2.043 186 F HA -0.116 4.471 4.527 0.100 0.000 0.297 186 F C 1.617 177.183 175.800 -0.389 0.000 1.121 186 F CA 2.054 59.528 58.000 -0.877 0.000 1.199 186 F CB -0.584 38.026 39.000 -0.650 0.000 0.968 186 F HN 0.827 nan 8.300 nan 0.000 0.478 187 F N 0.711 120.530 119.950 -0.219 0.000 2.120 187 F HA -0.270 4.324 4.527 0.111 0.000 0.300 187 F C 2.321 177.986 175.800 -0.224 0.000 1.095 187 F CA 2.384 60.248 58.000 -0.227 0.000 1.249 187 F CB -0.911 38.009 39.000 -0.134 0.000 0.995 187 F HN -0.037 nan 8.300 nan 0.000 0.480 188 T N -0.156 114.376 114.554 -0.036 0.000 2.732 188 T HA -0.134 4.285 4.350 0.113 0.000 0.261 188 T C 2.152 176.788 174.700 -0.105 0.000 1.040 188 T CA 1.583 63.660 62.100 -0.038 0.000 1.145 188 T CB -0.663 68.279 68.868 0.123 0.000 0.866 188 T HN 0.112 nan 8.240 nan 0.000 0.427 189 V N 1.883 121.740 119.914 -0.095 0.000 2.287 189 V HA -0.183 4.005 4.120 0.113 0.000 0.248 189 V C 2.902 178.869 176.094 -0.211 0.000 1.053 189 V CA 1.800 64.073 62.300 -0.046 0.000 1.027 189 V CB -1.226 30.601 31.823 0.006 0.000 0.646 189 V HN 0.532 nan 8.190 nan 0.000 0.447 190 A N 0.093 122.640 122.820 -0.454 0.000 1.898 190 A HA -0.205 4.183 4.320 0.113 0.000 0.216 190 A C 2.098 179.464 177.584 -0.364 0.000 1.181 190 A CA 1.869 53.634 52.037 -0.454 0.000 0.620 190 A CB -0.603 17.972 19.000 -0.707 0.000 0.819 190 A HN 0.600 nan 8.150 nan 0.000 0.442 191 N N -0.404 118.018 118.700 -0.464 0.000 2.270 191 N HA -0.128 4.680 4.740 0.113 0.000 0.181 191 N C 1.896 177.222 175.510 -0.308 0.000 1.016 191 N CA 1.232 54.005 53.050 -0.462 0.000 0.870 191 N CB -0.262 37.851 38.487 -0.622 0.000 0.979 191 N HN 0.649 nan 8.380 nan 0.000 0.431 192 Q N -0.107 119.578 119.800 -0.192 0.000 2.084 192 Q HA -0.163 4.245 4.340 0.113 0.000 0.202 192 Q C 2.048 177.975 176.000 -0.122 0.000 0.978 192 Q CA 1.112 56.863 55.803 -0.088 0.000 0.844 192 Q CB -0.235 28.529 28.738 0.044 0.000 0.898 192 Q HN 0.550 nan 8.270 nan 0.000 0.426 193 H N 0.961 119.905 119.070 -0.210 0.000 2.290 193 H HA -0.143 4.485 4.556 0.120 0.000 0.298 193 H C 2.232 177.438 175.328 -0.203 0.000 1.087 193 H CA 1.809 57.745 56.048 -0.185 0.000 1.291 193 H CB 0.103 29.779 29.762 -0.144 0.000 1.369 193 H HN 0.111 nan 8.280 nan 0.000 0.492 194 R N 0.567 120.744 120.500 -0.539 0.000 2.091 194 R HA -0.128 4.280 4.340 0.113 0.000 0.238 194 R C 2.514 178.510 176.300 -0.508 0.000 1.136 194 R CA 1.459 57.038 56.100 -0.869 0.000 0.959 194 R CB -0.395 29.190 30.300 -1.193 0.000 0.856 194 R HN 0.360 nan 8.270 nan 0.000 0.437 195 A N 1.230 123.834 122.820 -0.360 0.000 1.883 195 A HA -0.147 4.241 4.320 0.113 0.000 0.217 195 A C 2.253 179.718 177.584 -0.198 0.000 1.186 195 A CA 1.403 53.299 52.037 -0.236 0.000 0.624 195 A CB -0.589 18.301 19.000 -0.184 0.000 0.822 195 A HN 0.374 nan 8.150 nan 0.000 0.444 196 L N -0.617 120.487 121.223 -0.198 0.000 2.046 196 L HA -0.161 4.247 4.340 0.113 0.000 0.208 196 L C 2.551 179.386 176.870 -0.059 0.000 1.077 196 L CA 1.062 55.822 54.840 -0.133 0.000 0.747 196 L CB -0.580 41.432 42.059 -0.079 0.000 0.896 196 L HN 0.259 nan 8.230 nan 0.000 0.432 197 V N -0.163 119.682 119.914 -0.115 0.000 2.261 197 V HA -0.267 3.921 4.120 0.113 0.000 0.246 197 V C 2.395 178.537 176.094 0.080 0.000 1.047 197 V CA 1.828 64.129 62.300 0.002 0.000 1.015 197 V CB -0.486 31.366 31.823 0.049 0.000 0.642 197 V HN 0.462 nan 8.190 nan 0.000 0.446 198 E N 0.250 120.489 120.200 0.066 0.000 2.150 198 E HA -0.137 4.281 4.350 0.113 0.000 0.193 198 E C 2.297 178.956 176.600 0.099 0.000 0.985 198 E CA 1.195 57.655 56.400 0.100 0.000 0.814 198 E CB -0.403 29.340 29.700 0.072 0.000 0.752 198 E HN 0.664 nan 8.360 nan 0.000 0.466 199 G N 1.583 110.415 108.800 0.054 0.000 2.404 199 G HA2 -0.232 3.796 3.960 0.113 0.000 0.215 199 G HA3 -0.232 3.796 3.960 0.113 0.000 0.215 199 G C 1.753 176.821 174.900 0.281 0.000 1.174 199 G CA 0.926 46.089 45.100 0.105 0.000 0.780 199 G HN 0.339 nan 8.290 nan 0.000 0.537 200 A N 0.347 123.328 122.820 0.268 0.000 1.908 200 A HA -0.058 4.330 4.320 0.113 0.000 0.218 200 A C 2.536 180.211 177.584 0.152 0.000 1.181 200 A CA 2.585 54.786 52.037 0.273 0.000 0.627 200 A CB -1.033 18.090 19.000 0.205 0.000 0.818 200 A HN 0.312 nan 8.150 nan 0.000 0.445 201 T N -0.064 114.560 114.554 0.116 0.000 2.708 201 T HA -0.124 4.294 4.350 0.113 0.000 0.266 201 T C 1.838 176.565 174.700 0.046 0.000 1.037 201 T CA 1.494 63.636 62.100 0.071 0.000 1.146 201 T CB -0.361 68.551 68.868 0.073 0.000 0.865 201 T HN 0.312 nan 8.240 nan 0.000 0.435 202 L N 1.477 122.746 121.223 0.076 0.000 2.046 202 L HA 0.115 4.523 4.340 0.113 0.000 0.208 202 L C 2.602 179.382 176.870 -0.150 0.000 1.077 202 L CA 1.778 56.632 54.840 0.024 0.000 0.747 202 L CB -1.099 41.045 42.059 0.141 0.000 0.896 202 L HN 0.220 nan 8.230 nan 0.000 0.432 203 A N -0.349 122.389 122.820 -0.136 0.000 1.883 203 A HA -0.165 4.223 4.320 0.113 0.000 0.217 203 A C 2.476 179.932 177.584 -0.214 0.000 1.186 203 A CA 2.064 53.905 52.037 -0.327 0.000 0.624 203 A CB -1.268 17.755 19.000 0.039 0.000 0.822 203 A HN 0.581 nan 8.150 nan 0.000 0.444 204 A N -1.068 121.700 122.820 -0.086 0.000 1.908 204 A HA -0.116 4.272 4.320 0.113 0.000 0.218 204 A C 2.308 179.838 177.584 -0.090 0.000 1.181 204 A CA 2.392 54.388 52.037 -0.068 0.000 0.627 204 A CB -1.358 17.627 19.000 -0.024 0.000 0.818 204 A HN 0.448 nan 8.150 nan 0.000 0.445 205 T N 0.392 114.892 114.554 -0.092 0.000 2.788 205 T HA -0.051 4.367 4.350 0.113 0.000 0.268 205 T C 1.581 176.205 174.700 -0.127 0.000 1.044 205 T CA 1.414 63.460 62.100 -0.089 0.000 1.139 205 T CB -0.309 68.521 68.868 -0.065 0.000 0.867 205 T HN 0.372 nan 8.240 nan 0.000 0.454 206 L N 0.352 121.450 121.223 -0.208 0.000 2.554 206 L HA 0.243 4.651 4.340 0.113 0.000 0.226 206 L C 1.794 178.531 176.870 -0.222 0.000 1.137 206 L CA 0.227 54.915 54.840 -0.253 0.000 0.863 206 L CB -0.616 41.173 42.059 -0.449 0.000 0.985 206 L HN 0.454 nan 8.230 nan 0.000 0.451 207 G N 0.504 109.195 108.800 -0.182 0.000 2.273 207 G HA2 -0.230 3.798 3.960 0.113 0.000 0.280 207 G HA3 -0.230 3.798 3.960 0.113 0.000 0.280 207 G C 0.190 174.997 174.900 -0.154 0.000 1.047 207 G CA 0.073 45.091 45.100 -0.136 0.000 0.869 207 G HN 0.359 nan 8.290 nan 0.000 0.502 208 Q N -0.568 119.090 119.800 -0.237 0.000 2.252 208 Q HA 0.599 5.007 4.340 0.113 0.000 0.256 208 Q C 0.322 176.276 176.000 -0.078 0.000 1.020 208 Q CA -0.484 55.201 55.803 -0.196 0.000 0.913 208 Q CB 1.470 29.922 28.738 -0.477 0.000 1.286 208 Q HN 0.287 nan 8.270 nan 0.000 0.480 209 S N -0.815 114.905 115.700 0.034 0.000 2.481 209 S HA 0.418 4.956 4.470 0.113 0.000 0.276 209 S C 0.482 175.092 174.600 0.016 0.000 1.247 209 S CA 0.256 58.463 58.200 0.012 0.000 1.053 209 S CB -0.110 63.090 63.200 0.001 0.000 0.925 209 S HN 0.696 nan 8.310 nan 0.000 0.491 210 G N 2.296 111.066 108.800 -0.049 0.000 3.443 210 G HA2 0.056 4.084 3.960 0.113 0.000 0.252 210 G HA3 0.056 4.084 3.960 0.113 0.000 0.252 210 G C 1.185 176.007 174.900 -0.130 0.000 1.015 210 G CA 0.294 45.367 45.100 -0.046 0.000 0.891 210 G HN 0.805 nan 8.290 nan 0.000 0.510 211 S N 1.016 116.637 115.700 -0.132 0.000 2.402 211 S HA 0.092 4.630 4.470 0.113 0.000 0.229 211 S C 2.552 177.092 174.600 -0.100 0.000 1.021 211 S CA 1.361 59.514 58.200 -0.079 0.000 0.974 211 S CB -0.239 62.926 63.200 -0.058 0.000 0.800 211 S HN 0.526 nan 8.310 nan 0.000 0.484 212 A N 1.126 123.812 122.820 -0.223 0.000 1.908 212 A HA -0.015 4.373 4.320 0.113 0.000 0.218 212 A C 2.040 179.601 177.584 -0.037 0.000 1.181 212 A CA 1.549 53.481 52.037 -0.174 0.000 0.627 212 A CB -1.067 17.770 19.000 -0.271 0.000 0.818 212 A HN 0.612 nan 8.150 nan 0.000 0.445 213 Y N 1.141 121.474 120.300 0.054 0.000 2.200 213 Y HA -0.138 4.479 4.550 0.111 0.000 0.290 213 Y C 3.078 178.997 175.900 0.030 0.000 1.137 213 Y CA 0.897 59.025 58.100 0.047 0.000 1.163 213 Y CB -1.183 37.319 38.460 0.070 0.000 0.988 213 Y HN 0.445 nan 8.280 nan 0.000 0.518 214 S N -0.657 115.145 115.700 0.169 0.000 2.428 214 S HA -0.138 4.400 4.470 0.113 0.000 0.230 214 S C 2.009 176.653 174.600 0.074 0.000 1.014 214 S CA 0.917 59.181 58.200 0.106 0.000 0.957 214 S CB -0.855 62.394 63.200 0.081 0.000 0.784 214 S HN 0.493 nan 8.310 nan 0.000 0.499 215 S N 0.915 116.651 115.700 0.060 0.000 2.446 215 S HA 0.125 4.663 4.470 0.113 0.000 0.225 215 S C 1.697 176.333 174.600 0.061 0.000 1.016 215 S CA 0.536 58.766 58.200 0.051 0.000 0.943 215 S CB -0.542 62.679 63.200 0.035 0.000 0.786 215 S HN 0.341 nan 8.310 nan 0.000 0.508 216 V N 2.088 122.044 119.914 0.071 0.000 2.649 216 V HA 0.115 4.303 4.120 0.113 0.000 0.248 216 V C 3.080 179.144 176.094 -0.051 0.000 1.054 216 V CA 1.120 63.448 62.300 0.047 0.000 1.073 216 V CB -1.170 30.714 31.823 0.102 0.000 0.699 216 V HN 0.615 nan 8.190 nan 0.000 0.463 217 A N 1.052 123.875 122.820 0.005 0.000 1.892 217 A HA -0.182 4.206 4.320 0.113 0.000 0.218 217 A C 0.466 178.109 177.584 0.099 0.000 1.188 217 A CA 2.388 54.447 52.037 0.037 0.000 0.631 217 A CB -1.967 17.067 19.000 0.057 0.000 0.822 217 A HN 0.536 nan 8.150 nan 0.000 0.447 218 P HA -0.133 nan 4.420 nan 0.000 0.220 218 P C 1.345 178.647 177.300 0.005 0.000 1.148 218 P CA 1.052 64.189 63.100 0.062 0.000 0.803 218 P CB -0.037 31.700 31.700 0.061 0.000 0.782 219 Q N -0.710 119.069 119.800 -0.035 0.000 2.172 219 Q HA -0.046 4.362 4.340 0.113 0.000 0.200 219 Q C 2.165 178.023 176.000 -0.237 0.000 0.964 219 Q CA 1.074 56.853 55.803 -0.041 0.000 0.855 219 Q CB -1.199 27.576 28.738 0.062 0.000 0.918 219 Q HN 0.186 nan 8.270 nan 0.000 0.444 220 V N 1.152 120.753 119.914 -0.522 0.000 2.358 220 V HA -0.225 3.963 4.120 0.113 0.000 0.246 220 V C 2.325 178.321 176.094 -0.164 0.000 1.047 220 V CA 1.370 63.313 62.300 -0.596 0.000 1.035 220 V CB -0.702 30.781 31.823 -0.567 0.000 0.658 220 V HN 0.211 nan 8.190 nan 0.000 0.452 221 L N -0.091 121.020 121.223 -0.188 0.000 2.083 221 L HA -0.183 4.225 4.340 0.113 0.000 0.209 221 L C 2.418 179.267 176.870 -0.035 0.000 1.083 221 L CA 2.177 56.850 54.840 -0.279 0.000 0.752 221 L CB -0.807 40.991 42.059 -0.435 0.000 0.899 221 L HN 0.460 nan 8.230 nan 0.000 0.433 222 c N -1.138 117.487 118.600 0.042 0.000 2.440 222 c HA -0.170 4.468 4.570 0.113 0.000 0.278 222 c C 2.707 176.955 174.090 0.263 0.000 1.295 222 c CA 0.597 57.008 56.329 0.135 0.000 1.738 222 c CB -1.278 41.314 42.510 0.136 0.000 1.987 222 c HN 0.682 nan 8.230 nan 0.000 0.492 223 F N 1.140 121.179 119.950 0.148 0.000 2.171 223 F HA -0.033 4.512 4.527 0.030 0.000 0.300 223 F C 1.845 177.870 175.800 0.375 0.000 1.090 223 F CA 1.503 59.663 58.000 0.268 0.000 1.293 223 F CB -0.900 38.344 39.000 0.406 0.000 1.013 223 F HN 0.199 nan 8.300 nan 0.000 0.486 224 L N 0.634 121.975 121.223 0.196 0.000 2.127 224 L HA -0.224 4.184 4.340 0.113 0.000 0.211 224 L C 2.241 179.349 176.870 0.397 0.000 1.089 224 L CA 1.662 56.607 54.840 0.175 0.000 0.757 224 L CB -0.852 41.207 42.059 -0.001 0.000 0.899 224 L HN 0.154 nan 8.230 nan 0.000 0.434 225 Q N -0.420 119.577 119.800 0.330 0.000 2.291 225 Q HA -0.105 4.303 4.340 0.113 0.000 0.205 225 Q C 2.007 178.211 176.000 0.341 0.000 0.970 225 Q CA 0.859 56.880 55.803 0.364 0.000 0.876 225 Q CB -0.429 28.445 28.738 0.226 0.000 0.935 225 Q HN 0.498 nan 8.270 nan 0.000 0.455 226 R N -0.344 120.287 120.500 0.219 0.000 2.307 226 R HA 0.035 4.443 4.340 0.113 0.000 0.199 226 R C 1.505 177.774 176.300 -0.051 0.000 1.000 226 R CA 0.298 56.434 56.100 0.060 0.000 1.023 226 R CB -0.286 29.998 30.300 -0.027 0.000 0.908 226 R HN 0.281 nan 8.270 nan 0.000 0.473 227 F N -0.772 119.190 119.950 0.021 0.000 2.615 227 F HA 0.033 4.650 4.527 0.151 0.000 0.297 227 F C 1.341 177.115 175.800 -0.044 0.000 1.124 227 F CA -0.301 57.669 58.000 -0.051 0.000 1.451 227 F CB -0.021 38.938 39.000 -0.069 0.000 1.103 227 F HN 0.079 nan 8.300 nan 0.000 0.569 228 W N 2.445 123.796 121.300 0.084 0.000 2.308 228 W HA 0.351 5.065 4.660 0.090 0.000 0.324 228 W C -1.046 175.413 176.519 -0.100 0.000 1.387 228 W CA -0.339 57.023 57.345 0.028 0.000 1.250 228 W CB 0.809 30.389 29.460 0.200 0.000 1.257 228 W HN -0.498 nan 8.180 nan 0.000 0.554 229 V N 7.583 126.909 119.914 -0.979 0.000 2.304 229 V HA -0.063 4.125 4.120 0.113 0.000 0.269 229 V C 1.219 176.608 176.094 -1.174 0.000 1.036 229 V CA 0.165 61.896 62.300 -0.948 0.000 0.840 229 V CB 0.638 31.801 31.823 -1.100 0.000 1.036 229 V HN 0.730 nan 8.190 nan 0.000 0.466 230 S N 3.130 118.419 115.700 -0.684 0.000 2.402 230 S HA -0.169 4.369 4.470 0.113 0.000 0.229 230 S C 2.051 176.530 174.600 -0.202 0.000 1.021 230 S CA 1.272 59.284 58.200 -0.314 0.000 0.974 230 S CB -0.328 62.920 63.200 0.080 0.000 0.800 230 S HN 0.853 nan 8.310 nan 0.000 0.484 231 S N 1.527 117.104 115.700 -0.204 0.000 2.402 231 S HA 0.137 4.675 4.470 0.113 0.000 0.229 231 S C 1.902 176.444 174.600 -0.097 0.000 1.021 231 S CA 0.747 58.884 58.200 -0.106 0.000 0.974 231 S CB -1.015 62.138 63.200 -0.079 0.000 0.800 231 S HN 0.657 nan 8.310 nan 0.000 0.484 232 G N 0.137 108.822 108.800 -0.192 0.000 2.796 232 G HA2 0.439 4.467 3.960 0.113 0.000 0.210 232 G HA3 0.439 4.467 3.960 0.113 0.000 0.210 232 G C 0.998 175.896 174.900 -0.003 0.000 1.146 232 G CA 0.038 45.133 45.100 -0.008 0.000 0.779 232 G HN 1.365 nan 8.290 nan 0.000 0.535 233 G N -0.502 108.101 108.800 -0.327 0.000 2.246 233 G HA2 -0.157 3.871 3.960 0.113 0.000 0.273 233 G HA3 -0.157 3.871 3.960 0.113 0.000 0.273 233 G C -0.006 174.745 174.900 -0.247 0.000 1.055 233 G CA 0.776 45.724 45.100 -0.254 0.000 0.851 233 G HN 1.478 nan 8.290 nan 0.000 0.500 234 Y N -3.497 116.361 120.300 -0.735 0.000 2.655 234 Y HA 0.744 5.369 4.550 0.126 0.000 0.336 234 Y C -0.338 175.337 175.900 -0.374 0.000 1.154 234 Y CA -1.888 56.013 58.100 -0.332 0.000 1.055 234 Y CB 0.965 39.330 38.460 -0.158 0.000 1.295 234 Y HN 0.307 nan 8.280 nan 0.000 0.465 235 V N 2.312 122.233 119.914 0.011 0.000 2.432 235 V HA 0.161 4.349 4.120 0.113 0.000 0.275 235 V C -0.529 175.527 176.094 -0.064 0.000 1.043 235 V CA -0.327 61.866 62.300 -0.178 0.000 0.925 235 V CB 1.007 32.486 31.823 -0.573 0.000 0.985 235 V HN 0.763 nan 8.190 nan 0.000 0.466 236 D N 3.552 123.875 120.400 -0.129 0.000 2.352 236 D HA 0.136 4.844 4.640 0.113 0.000 0.245 236 D C 1.131 177.499 176.300 0.114 0.000 1.224 236 D CA 0.241 54.258 54.000 0.029 0.000 0.879 236 D CB 1.396 42.161 40.800 -0.058 0.000 1.057 236 D HN 0.469 nan 8.370 nan 0.000 0.491 237 S N 3.329 119.089 115.700 0.100 0.000 2.423 237 S HA -0.023 4.515 4.470 0.113 0.000 0.231 237 S C 0.534 175.294 174.600 0.266 0.000 1.014 237 S CA 0.413 58.687 58.200 0.123 0.000 0.965 237 S CB -0.005 63.247 63.200 0.086 0.000 0.785 237 S HN 0.548 nan 8.310 nan 0.000 0.495 238 N N 0.936 119.759 118.700 0.206 0.000 2.352 238 N HA 0.487 5.295 4.740 0.113 0.000 0.291 238 N C -0.662 174.910 175.510 0.103 0.000 1.040 238 N CA -0.338 52.835 53.050 0.205 0.000 0.864 238 N CB 2.144 40.683 38.487 0.088 0.000 1.440 238 N HN 0.281 nan 8.380 nan 0.000 0.483 239 I N -1.365 119.241 120.570 0.060 0.000 3.436 239 I HA 0.547 4.785 4.170 0.113 0.000 0.300 239 I C 0.078 176.188 176.117 -0.011 0.000 1.131 239 I CA -0.633 60.618 61.300 -0.082 0.000 1.001 239 I CB 1.157 38.957 38.000 -0.333 0.000 1.305 239 I HN 0.215 nan 8.210 nan 0.000 0.494 240 N N 0.520 119.208 118.700 -0.020 0.000 2.721 240 N HA -0.173 4.635 4.740 0.113 0.000 0.249 240 N C -0.390 175.111 175.510 -0.015 0.000 1.072 240 N CA 1.396 54.447 53.050 0.002 0.000 0.710 240 N CB -1.283 37.232 38.487 0.047 0.000 0.993 240 N HN 0.950 nan 8.380 nan 0.000 0.547 241 T N -1.243 113.296 114.554 -0.025 0.000 2.843 241 T HA 0.447 4.865 4.350 0.113 0.000 0.302 241 T C -0.724 173.957 174.700 -0.032 0.000 1.232 241 T CA -0.596 61.482 62.100 -0.036 0.000 1.009 241 T CB 0.941 69.785 68.868 -0.040 0.000 1.254 241 T HN 0.055 nan 8.240 nan 0.000 0.504 242 N N 1.975 120.655 118.700 -0.033 0.000 2.480 242 N HA 0.172 4.980 4.740 0.113 0.000 0.281 242 N C 0.465 175.961 175.510 -0.023 0.000 1.381 242 N CA -0.126 52.908 53.050 -0.026 0.000 0.903 242 N CB 1.156 39.630 38.487 -0.022 0.000 1.274 242 N HN 0.629 nan 8.380 nan 0.000 0.505 243 E N 0.766 120.949 120.200 -0.027 0.000 2.274 243 E HA 0.014 4.432 4.350 0.113 0.000 0.194 243 E C 0.874 177.461 176.600 -0.021 0.000 0.996 243 E CA 0.657 57.041 56.400 -0.026 0.000 0.840 243 E CB -0.244 29.432 29.700 -0.039 0.000 0.772 243 E HN 0.441 nan 8.360 nan 0.000 0.491 244 G N 1.041 109.828 108.800 -0.021 0.000 2.298 244 G HA2 -0.323 3.705 3.960 0.113 0.000 0.287 244 G HA3 -0.323 3.705 3.960 0.113 0.000 0.287 244 G C -0.146 174.742 174.900 -0.019 0.000 1.075 244 G CA 0.562 45.652 45.100 -0.017 0.000 0.960 244 G HN 0.205 nan 8.290 nan 0.000 0.502 245 R N -1.217 119.265 120.500 -0.029 0.000 2.873 245 R HA 0.651 5.059 4.340 0.113 0.000 0.264 245 R C 1.933 178.217 176.300 -0.026 0.000 1.026 245 R CA -0.201 55.878 56.100 -0.035 0.000 1.002 245 R CB 0.754 31.009 30.300 -0.076 0.000 1.174 245 R HN 0.315 nan 8.270 nan 0.000 0.488 246 T N -2.190 112.341 114.554 -0.038 0.000 2.915 246 T HA 0.004 4.422 4.350 0.113 0.000 0.269 246 T C 1.426 176.149 174.700 0.040 0.000 1.071 246 T CA 1.127 63.209 62.100 -0.030 0.000 1.132 246 T CB -0.083 68.704 68.868 -0.136 0.000 0.878 246 T HN 0.910 nan 8.240 nan 0.000 0.479 247 G N 1.298 110.105 108.800 0.011 0.000 2.195 247 G HA2 -0.243 3.785 3.960 0.113 0.000 0.246 247 G HA3 -0.243 3.785 3.960 0.113 0.000 0.246 247 G C 0.032 174.973 174.900 0.069 0.000 0.984 247 G CA 0.032 45.169 45.100 0.063 0.000 0.633 247 G HN 0.675 nan 8.290 nan 0.000 0.525 248 K N 1.452 121.823 120.400 -0.048 0.000 2.363 248 K HA 0.447 4.835 4.320 0.113 0.000 0.289 248 K C -0.746 175.866 176.600 0.019 0.000 1.063 248 K CA 0.154 56.377 56.287 -0.107 0.000 0.967 248 K CB 0.681 32.978 32.500 -0.338 0.000 0.987 248 K HN 0.254 nan 8.250 nan 0.000 0.473 249 D N 2.374 122.842 120.400 0.113 0.000 2.886 249 D HA -0.019 4.689 4.640 0.113 0.000 0.216 249 D C 0.247 176.697 176.300 0.249 0.000 1.256 249 D CA -0.547 53.596 54.000 0.238 0.000 0.844 249 D CB 2.104 43.036 40.800 0.220 0.000 1.669 249 D HN 0.159 nan 8.370 nan 0.000 0.513 250 V N 4.317 124.408 119.914 0.296 0.000 2.828 250 V HA -0.185 4.003 4.120 0.113 0.000 0.260 250 V C 2.108 178.353 176.094 0.251 0.000 1.101 250 V CA 2.146 64.586 62.300 0.234 0.000 1.123 250 V CB -0.694 31.212 31.823 0.139 0.000 0.704 250 V HN 0.619 nan 8.190 nan 0.000 0.493 251 N N 1.433 120.301 118.700 0.280 0.000 2.112 251 N HA -0.293 4.515 4.740 0.113 0.000 0.200 251 N C 2.008 177.672 175.510 0.257 0.000 1.011 251 N CA 2.857 55.985 53.050 0.130 0.000 0.891 251 N CB -0.520 38.026 38.487 0.098 0.000 1.060 251 N HN 0.709 nan 8.380 nan 0.000 0.478 252 S N -0.653 115.189 115.700 0.237 0.000 2.406 252 S HA -0.021 4.517 4.470 0.113 0.000 0.228 252 S C 2.321 177.094 174.600 0.290 0.000 1.020 252 S CA 1.275 59.638 58.200 0.271 0.000 0.965 252 S CB -0.582 62.599 63.200 -0.031 0.000 0.798 252 S HN 0.151 nan 8.310 nan 0.000 0.488 253 V N 2.223 122.265 119.914 0.213 0.000 2.323 253 V HA -0.045 4.143 4.120 0.113 0.000 0.244 253 V C 2.549 178.766 176.094 0.205 0.000 1.041 253 V CA 1.499 63.898 62.300 0.166 0.000 1.025 253 V CB -0.917 30.961 31.823 0.092 0.000 0.656 253 V HN 0.422 nan 8.190 nan 0.000 0.451 254 L N -0.054 121.329 121.223 0.268 0.000 2.042 254 L HA -0.219 4.189 4.340 0.113 0.000 0.210 254 L C 2.659 179.848 176.870 0.533 0.000 1.076 254 L CA 2.043 57.130 54.840 0.411 0.000 0.749 254 L CB -1.060 41.230 42.059 0.385 0.000 0.893 254 L HN 0.376 nan 8.230 nan 0.000 0.432 255 T N -1.414 113.433 114.554 0.489 0.000 2.684 255 T HA -0.245 4.173 4.350 0.113 0.000 0.267 255 T C 2.150 176.985 174.700 0.225 0.000 1.036 255 T CA 1.798 64.091 62.100 0.321 0.000 1.148 255 T CB -0.264 68.711 68.868 0.178 0.000 0.863 255 T HN 0.289 nan 8.240 nan 0.000 0.436 256 S N 1.199 117.051 115.700 0.254 0.000 2.359 256 S HA -0.112 4.426 4.470 0.113 0.000 0.224 256 S C 2.146 176.849 174.600 0.172 0.000 1.035 256 S CA 1.584 59.917 58.200 0.222 0.000 1.018 256 S CB -0.553 62.761 63.200 0.190 0.000 0.876 256 S HN 0.641 nan 8.310 nan 0.000 0.448 257 I N -1.691 118.938 120.570 0.098 0.000 2.439 257 I HA -0.040 4.198 4.170 0.113 0.000 0.251 257 I C 1.961 178.063 176.117 -0.025 0.000 1.139 257 I CA 1.533 62.822 61.300 -0.017 0.000 1.438 257 I CB -0.682 37.238 38.000 -0.133 0.000 1.085 257 I HN 0.265 nan 8.210 nan 0.000 0.427 258 H N 1.420 120.606 119.070 0.193 0.000 2.548 258 H HA 0.091 4.714 4.556 0.112 0.000 0.268 258 H C 1.625 176.975 175.328 0.037 0.000 0.975 258 H CA 1.572 57.696 56.048 0.126 0.000 1.195 258 H CB 0.217 30.055 29.762 0.126 0.000 1.397 258 H HN 0.564 nan 8.280 nan 0.000 0.572 259 T N -2.279 112.377 114.554 0.170 0.000 3.129 259 T HA 0.048 4.466 4.350 0.113 0.000 0.267 259 T C 0.301 175.318 174.700 0.528 0.000 1.018 259 T CA -0.546 61.651 62.100 0.162 0.000 0.903 259 T CB -0.940 67.948 68.868 0.033 0.000 1.067 259 T HN -0.014 nan 8.240 nan 0.000 0.549 260 F N 3.507 123.610 119.950 0.255 0.000 2.602 260 F HA 0.399 4.993 4.527 0.111 0.000 0.385 260 F C -0.193 175.771 175.800 0.272 0.000 1.063 260 F CA -0.772 57.355 58.000 0.211 0.000 1.233 260 F CB 0.265 39.315 39.000 0.085 0.000 1.067 260 F HN 0.145 nan 8.300 nan 0.000 0.564 261 D N 8.735 128.970 120.400 -0.274 0.000 2.616 261 D HA 0.272 4.980 4.640 0.113 0.000 0.238 261 D C -2.173 173.813 176.300 -0.523 0.000 1.354 261 D CA -1.965 51.696 54.000 -0.565 0.000 0.970 261 D CB 2.082 42.527 40.800 -0.591 0.000 1.369 261 D HN 0.220 nan 8.370 nan 0.000 0.585 262 P HA -0.094 nan 4.420 nan 0.000 0.222 262 P C 0.780 178.052 177.300 -0.047 0.000 1.147 262 P CA 0.593 63.613 63.100 -0.134 0.000 0.790 262 P CB 0.506 32.241 31.700 0.060 0.000 0.780 263 N N -0.221 118.396 118.700 -0.139 0.000 2.453 263 N HA -0.045 4.763 4.740 0.113 0.000 0.183 263 N C 1.573 177.014 175.510 -0.114 0.000 1.041 263 N CA 0.678 53.663 53.050 -0.109 0.000 0.900 263 N CB -0.740 37.661 38.487 -0.144 0.000 0.961 263 N HN 0.275 nan 8.380 nan 0.000 0.443 264 L N -0.465 120.671 121.223 -0.145 0.000 2.591 264 L HA 0.164 4.572 4.340 0.113 0.000 0.228 264 L C 1.461 178.321 176.870 -0.018 0.000 1.133 264 L CA -0.028 54.746 54.840 -0.108 0.000 0.880 264 L CB -0.697 41.269 42.059 -0.155 0.000 1.033 264 L HN 0.138 nan 8.230 nan 0.000 0.450 265 G N -0.070 108.747 108.800 0.027 0.000 2.596 265 G HA2 -0.362 3.666 3.960 0.113 0.000 0.295 265 G HA3 -0.362 3.666 3.960 0.113 0.000 0.295 265 G C 0.245 175.203 174.900 0.097 0.000 1.240 265 G CA 0.074 45.223 45.100 0.081 0.000 0.985 265 G HN 0.276 nan 8.290 nan 0.000 0.555 266 c N 0.953 119.614 118.600 0.101 0.000 2.285 266 c HA 0.456 5.094 4.570 0.113 0.000 0.361 266 c C 0.610 174.724 174.090 0.040 0.000 1.361 266 c CA -0.209 56.179 56.329 0.099 0.000 1.775 266 c CB -1.616 40.998 42.510 0.173 0.000 2.409 266 c HN 0.700 nan 8.230 nan 0.000 0.572 267 D N 1.059 121.468 120.400 0.016 0.000 2.412 267 D HA 0.222 4.930 4.640 0.113 0.000 0.257 267 D C 1.077 177.318 176.300 -0.098 0.000 1.217 267 D CA 0.293 54.272 54.000 -0.035 0.000 0.897 267 D CB 0.935 41.718 40.800 -0.028 0.000 1.132 267 D HN 0.435 nan 8.370 nan 0.000 0.493 268 A N 3.470 126.174 122.820 -0.192 0.000 2.067 268 A HA 0.122 4.510 4.320 0.113 0.000 0.217 268 A C 2.070 179.285 177.584 -0.615 0.000 1.156 268 A CA 1.092 52.878 52.037 -0.418 0.000 0.683 268 A CB -0.499 18.233 19.000 -0.446 0.000 0.808 268 A HN 0.662 nan 8.150 nan 0.000 0.455 269 G N -0.005 108.598 108.800 -0.327 0.000 2.422 269 G HA2 -0.167 3.861 3.960 0.113 0.000 0.218 269 G HA3 -0.167 3.861 3.960 0.113 0.000 0.218 269 G C 1.472 176.326 174.900 -0.078 0.000 1.146 269 G CA 1.770 46.735 45.100 -0.225 0.000 0.769 269 G HN 0.717 nan 8.290 nan 0.000 0.547 270 T N -3.330 111.231 114.554 0.011 0.000 3.145 270 T HA 0.351 4.769 4.350 0.113 0.000 0.255 270 T C 0.681 175.597 174.700 0.361 0.000 1.039 270 T CA -0.504 61.731 62.100 0.226 0.000 0.928 270 T CB -0.457 68.573 68.868 0.270 0.000 1.029 270 T HN 0.275 nan 8.240 nan 0.000 0.554 271 F N 1.325 121.325 119.950 0.083 0.000 3.027 271 F HA -0.170 4.417 4.527 0.100 0.000 0.276 271 F C 0.564 176.439 175.800 0.124 0.000 0.967 271 F CA -0.099 57.968 58.000 0.112 0.000 0.929 271 F CB -2.239 36.907 39.000 0.244 0.000 0.873 271 F HN 0.283 nan 8.300 nan 0.000 0.787 272 Q N 0.508 120.419 119.800 0.186 0.000 2.395 272 Q HA 0.024 4.432 4.340 0.113 0.000 0.271 272 Q C -1.038 175.036 176.000 0.124 0.000 1.026 272 Q CA -1.067 54.852 55.803 0.195 0.000 0.900 272 Q CB 0.317 29.151 28.738 0.161 0.000 1.266 272 Q HN 0.057 nan 8.270 nan 0.000 0.430 273 P HA -0.174 nan 4.420 nan 0.000 0.216 273 P C 0.988 178.209 177.300 -0.133 0.000 1.154 273 P CA 1.649 64.705 63.100 -0.073 0.000 0.865 273 P CB 0.049 31.601 31.700 -0.246 0.000 0.789 274 c N -3.042 115.483 118.600 -0.126 0.000 2.626 274 c HA 0.331 4.969 4.570 0.113 0.000 0.266 274 c C 1.269 175.415 174.090 0.095 0.000 1.317 274 c CA -0.603 55.661 56.329 -0.108 0.000 1.716 274 c CB -2.077 40.253 42.510 -0.300 0.000 1.819 274 c HN 0.173 nan 8.230 nan 0.000 0.578 275 S N 2.028 117.756 115.700 0.045 0.000 2.572 275 S HA 0.127 4.665 4.470 0.113 0.000 0.279 275 S C 1.060 175.679 174.600 0.031 0.000 1.341 275 S CA 0.656 58.873 58.200 0.027 0.000 1.043 275 S CB 0.666 63.828 63.200 -0.063 0.000 0.887 275 S HN 0.663 nan 8.310 nan 0.000 0.516 276 D N 2.557 122.979 120.400 0.038 0.000 2.149 276 D HA -0.211 4.497 4.640 0.113 0.000 0.198 276 D C 1.399 177.709 176.300 0.016 0.000 0.990 276 D CA 1.494 55.539 54.000 0.076 0.000 0.839 276 D CB -0.359 40.506 40.800 0.107 0.000 0.948 276 D HN 0.711 nan 8.370 nan 0.000 0.460 277 K N 0.457 120.759 120.400 -0.163 0.000 2.057 277 K HA 0.011 4.399 4.320 0.113 0.000 0.207 277 K C 2.352 179.012 176.600 0.100 0.000 1.049 277 K CA 1.352 57.460 56.287 -0.298 0.000 0.931 277 K CB -0.228 31.699 32.500 -0.955 0.000 0.714 277 K HN 0.229 nan 8.250 nan 0.000 0.440 278 A N 1.381 124.257 122.820 0.093 0.000 1.930 278 A HA -0.085 4.303 4.320 0.113 0.000 0.217 278 A C 2.126 179.736 177.584 0.044 0.000 1.175 278 A CA 1.070 53.207 52.037 0.167 0.000 0.627 278 A CB -0.490 18.596 19.000 0.143 0.000 0.815 278 A HN 0.131 nan 8.150 nan 0.000 0.443 279 L N -0.959 120.215 121.223 -0.082 0.000 2.056 279 L HA -0.130 4.278 4.340 0.113 0.000 0.207 279 L C 2.921 179.709 176.870 -0.138 0.000 1.078 279 L CA 1.431 56.047 54.840 -0.372 0.000 0.749 279 L CB -0.478 41.197 42.059 -0.639 0.000 0.901 279 L HN 0.493 nan 8.230 nan 0.000 0.433 280 S N 0.431 116.194 115.700 0.104 0.000 2.359 280 S HA -0.262 4.276 4.470 0.113 0.000 0.224 280 S C 1.810 176.577 174.600 0.277 0.000 1.035 280 S CA 2.141 60.498 58.200 0.260 0.000 1.018 280 S CB -0.334 63.105 63.200 0.397 0.000 0.876 280 S HN 0.496 nan 8.310 nan 0.000 0.448 281 N N 0.550 119.447 118.700 0.328 0.000 2.104 281 N HA -0.101 4.707 4.740 0.113 0.000 0.190 281 N C 1.739 177.365 175.510 0.192 0.000 1.024 281 N CA 1.498 54.727 53.050 0.298 0.000 0.853 281 N CB -0.553 38.141 38.487 0.345 0.000 1.008 281 N HN 0.387 nan 8.380 nan 0.000 0.424 282 L N 1.333 122.643 121.223 0.145 0.000 2.012 282 L HA -0.159 4.249 4.340 0.113 0.000 0.210 282 L C 2.246 179.239 176.870 0.205 0.000 1.073 282 L CA 1.921 56.835 54.840 0.125 0.000 0.748 282 L CB -0.852 41.234 42.059 0.045 0.000 0.891 282 L HN 0.233 nan 8.230 nan 0.000 0.431 283 K N -1.145 119.420 120.400 0.275 0.000 2.026 283 K HA -0.148 4.240 4.320 0.113 0.000 0.208 283 K C 1.872 178.581 176.600 0.182 0.000 1.048 283 K CA 1.956 58.424 56.287 0.303 0.000 0.929 283 K CB -0.206 32.499 32.500 0.341 0.000 0.713 283 K HN 0.285 nan 8.250 nan 0.000 0.439 284 V N 0.800 120.795 119.914 0.136 0.000 2.343 284 V HA -0.226 3.962 4.120 0.113 0.000 0.247 284 V C 2.341 178.415 176.094 -0.033 0.000 1.051 284 V CA 1.547 63.863 62.300 0.026 0.000 1.036 284 V CB -0.131 31.696 31.823 0.007 0.000 0.654 284 V HN 0.198 nan 8.190 nan 0.000 0.451 285 V N -0.417 119.518 119.914 0.037 0.000 2.261 285 V HA -0.217 3.971 4.120 0.113 0.000 0.246 285 V C 2.428 178.618 176.094 0.159 0.000 1.047 285 V CA 1.936 64.270 62.300 0.057 0.000 1.015 285 V CB -0.410 31.492 31.823 0.133 0.000 0.642 285 V HN 0.392 nan 8.190 nan 0.000 0.446 286 V N 0.305 120.352 119.914 0.222 0.000 2.287 286 V HA -0.303 3.885 4.120 0.113 0.000 0.248 286 V C 2.297 178.530 176.094 0.231 0.000 1.053 286 V CA 2.335 64.823 62.300 0.313 0.000 1.027 286 V CB -0.786 31.253 31.823 0.361 0.000 0.646 286 V HN 0.559 nan 8.190 nan 0.000 0.447 287 D N 0.352 120.824 120.400 0.120 0.000 2.182 287 D HA -0.138 4.570 4.640 0.113 0.000 0.201 287 D C 2.367 178.618 176.300 -0.082 0.000 0.986 287 D CA 1.722 55.742 54.000 0.033 0.000 0.847 287 D CB -0.302 40.504 40.800 0.010 0.000 0.942 287 D HN 0.624 nan 8.370 nan 0.000 0.467 288 S N -0.770 114.808 115.700 -0.204 0.000 2.507 288 S HA -0.099 4.439 4.470 0.113 0.000 0.235 288 S C 1.536 175.742 174.600 -0.656 0.000 0.988 288 S CA 0.461 58.390 58.200 -0.451 0.000 0.944 288 S CB -0.427 62.422 63.200 -0.585 0.000 0.762 288 S HN 0.151 nan 8.310 nan 0.000 0.526 289 F N 1.004 120.828 119.950 -0.211 0.000 2.717 289 F HA 0.482 5.077 4.527 0.113 0.000 0.297 289 F C 2.379 178.000 175.800 -0.299 0.000 1.113 289 F CA -0.728 57.038 58.000 -0.388 0.000 1.319 289 F CB -0.075 38.717 39.000 -0.347 0.000 1.097 289 F HN 0.022 nan 8.300 nan 0.000 0.595 290 R N -0.073 120.435 120.500 0.015 0.000 2.091 290 R HA -0.110 4.298 4.340 0.113 0.000 0.238 290 R C 1.694 177.986 176.300 -0.013 0.000 1.136 290 R CA 1.796 57.913 56.100 0.029 0.000 0.959 290 R CB -0.543 29.780 30.300 0.039 0.000 0.856 290 R HN 0.103 nan 8.270 nan 0.000 0.437 291 S N 0.256 115.919 115.700 -0.063 0.000 2.575 291 S HA 0.094 4.632 4.470 0.113 0.000 0.215 291 S C 1.659 176.222 174.600 -0.062 0.000 0.966 291 S CA 0.158 58.327 58.200 -0.052 0.000 0.911 291 S CB 0.226 63.391 63.200 -0.058 0.000 0.780 291 S HN 0.403 nan 8.310 nan 0.000 0.514 292 I N -3.803 116.696 120.570 -0.119 0.000 4.035 292 I HA 0.353 4.591 4.170 0.113 0.000 0.321 292 I C -0.695 175.444 176.117 0.035 0.000 1.289 292 I CA -0.141 61.095 61.300 -0.108 0.000 1.236 292 I CB 0.201 38.076 38.000 -0.208 0.000 1.076 292 I HN -0.053 nan 8.210 nan 0.000 0.418 293 Y N 2.613 122.915 120.300 0.002 0.000 2.328 293 Y HA 0.577 5.195 4.550 0.114 0.000 0.337 293 Y C 1.547 177.429 175.900 -0.031 0.000 1.008 293 Y CA -1.356 56.725 58.100 -0.032 0.000 1.129 293 Y CB 1.512 39.941 38.460 -0.052 0.000 1.185 293 Y HN -0.016 nan 8.280 nan 0.000 0.476 294 G N 1.651 110.518 108.800 0.112 0.000 2.469 294 G HA2 -0.227 3.802 3.960 0.113 0.000 0.220 294 G HA3 -0.227 3.802 3.960 0.113 0.000 0.220 294 G C 1.488 176.416 174.900 0.047 0.000 1.136 294 G CA 1.437 46.566 45.100 0.048 0.000 0.759 294 G HN 0.632 nan 8.290 nan 0.000 0.562 295 V N -0.892 119.036 119.914 0.024 0.000 2.720 295 V HA -0.076 4.112 4.120 0.113 0.000 0.256 295 V C 1.840 178.002 176.094 0.113 0.000 1.082 295 V CA 1.885 64.212 62.300 0.044 0.000 1.101 295 V CB -0.466 31.312 31.823 -0.074 0.000 0.693 295 V HN 0.216 nan 8.190 nan 0.000 0.479 296 N N 0.040 118.816 118.700 0.127 0.000 2.336 296 N HA 0.119 4.927 4.740 0.113 0.000 0.189 296 N C 0.488 176.044 175.510 0.077 0.000 1.113 296 N CA 0.197 53.318 53.050 0.117 0.000 0.858 296 N CB -0.125 38.447 38.487 0.141 0.000 0.970 296 N HN 0.594 nan 8.380 nan 0.000 0.471 297 K N 0.333 120.772 120.400 0.065 0.000 2.511 297 K HA 0.057 4.445 4.320 0.113 0.000 0.280 297 K C 1.073 177.694 176.600 0.035 0.000 1.008 297 K CA 0.932 57.245 56.287 0.042 0.000 1.050 297 K CB 0.180 32.701 32.500 0.035 0.000 0.889 297 K HN 0.273 nan 8.250 nan 0.000 0.484 298 G N 2.948 111.762 108.800 0.024 0.000 2.234 298 G HA2 -0.293 3.735 3.960 0.113 0.000 0.260 298 G HA3 -0.293 3.735 3.960 0.113 0.000 0.260 298 G C 0.257 175.167 174.900 0.016 0.000 0.987 298 G CA -0.117 44.993 45.100 0.017 0.000 0.625 298 G HN 0.588 nan 8.290 nan 0.000 0.532 299 I N 3.818 124.402 120.570 0.023 0.000 2.471 299 I HA 0.287 4.525 4.170 0.113 0.000 0.286 299 I C -0.857 175.268 176.117 0.013 0.000 1.079 299 I CA -1.752 59.559 61.300 0.018 0.000 1.398 299 I CB 0.845 38.861 38.000 0.026 0.000 1.403 299 I HN 0.031 nan 8.210 nan 0.000 0.530 300 P HA 0.247 nan 4.420 nan 0.000 0.276 300 P C -0.582 176.715 177.300 -0.004 0.000 1.261 300 P CA -0.546 62.552 63.100 -0.004 0.000 0.800 300 P CB 0.660 32.352 31.700 -0.013 0.000 1.066 301 A N -0.030 122.782 122.820 -0.014 0.000 2.507 301 A HA 0.418 4.806 4.320 0.113 0.000 0.235 301 A C 1.402 178.945 177.584 -0.067 0.000 1.070 301 A CA 0.695 52.716 52.037 -0.027 0.000 0.768 301 A CB -1.356 17.625 19.000 -0.032 0.000 1.011 301 A HN 0.985 nan 8.150 nan 0.000 0.502 302 G N -0.557 108.167 108.800 -0.126 0.000 2.179 302 G HA2 0.203 4.231 3.960 0.113 0.000 0.260 302 G HA3 0.203 4.231 3.960 0.113 0.000 0.260 302 G C 0.366 175.158 174.900 -0.181 0.000 0.977 302 G CA 0.690 45.641 45.100 -0.249 0.000 0.641 302 G HN 2.294 nan 8.290 nan 0.000 0.533 303 A N -0.556 122.256 122.820 -0.014 0.000 2.413 303 A HA 1.028 5.416 4.320 0.113 0.000 0.307 303 A C 0.392 178.043 177.584 0.112 0.000 1.087 303 A CA 0.555 52.634 52.037 0.069 0.000 0.750 303 A CB 1.396 20.399 19.000 0.004 0.000 1.296 303 A HN 2.017 nan 8.150 nan 0.000 0.423 304 A N 0.404 123.148 122.820 -0.127 0.000 2.407 304 A HA 0.581 4.970 4.320 0.113 0.000 0.248 304 A C 0.358 177.714 177.584 -0.381 0.000 1.082 304 A CA 0.410 51.991 52.037 -0.760 0.000 0.785 304 A CB -0.175 17.989 19.000 -1.393 0.000 1.020 304 A HN 2.170 nan 8.150 nan 0.000 0.489 305 V N -1.796 117.954 119.914 -0.274 0.000 3.102 305 V HA 0.887 5.075 4.120 0.113 0.000 0.312 305 V C 0.261 176.462 176.094 0.179 0.000 1.135 305 V CA -0.694 61.629 62.300 0.039 0.000 1.022 305 V CB 1.101 33.002 31.823 0.131 0.000 1.056 305 V HN 1.701 nan 8.190 nan 0.000 0.436 306 A N 2.710 125.652 122.820 0.204 0.000 2.440 306 A HA 0.756 5.144 4.320 0.113 0.000 0.251 306 A C -0.072 177.564 177.584 0.086 0.000 1.089 306 A CA -0.093 52.066 52.037 0.204 0.000 0.779 306 A CB -0.295 18.844 19.000 0.232 0.000 1.022 306 A HN 1.681 nan 8.150 nan 0.000 0.492 307 I N -0.090 120.412 120.570 -0.113 0.000 2.785 307 I HA 0.913 5.151 4.170 0.113 0.000 0.302 307 I C 0.338 176.007 176.117 -0.747 0.000 1.069 307 I CA -0.798 60.155 61.300 -0.579 0.000 1.045 307 I CB 2.245 39.940 38.000 -0.508 0.000 1.236 307 I HN 0.593 nan 8.210 nan 0.000 0.429 308 G N 3.520 111.504 108.800 -1.360 0.000 3.008 308 G HA2 0.465 4.493 3.960 0.113 0.000 0.181 308 G HA3 0.465 4.493 3.960 0.113 0.000 0.181 308 G C 0.277 174.760 174.900 -0.695 0.000 1.309 308 G CA -0.784 43.860 45.100 -0.760 0.000 1.009 308 G HN 0.702 nan 8.290 nan 0.000 0.584 309 R N -1.295 118.810 120.500 -0.657 0.000 2.064 309 R HA 0.188 4.596 4.340 0.113 0.000 0.221 309 R C -0.166 176.196 176.300 0.104 0.000 1.136 309 R CA 1.037 56.774 56.100 -0.605 0.000 0.980 309 R CB -0.107 29.345 30.300 -1.413 0.000 0.876 309 R HN 0.612 nan 8.270 nan 0.000 0.437 310 Y N -5.087 115.266 120.300 0.088 0.000 2.558 310 Y HA 0.544 5.164 4.550 0.117 0.000 0.333 310 Y C 0.114 176.012 175.900 -0.003 0.000 1.125 310 Y CA -0.942 57.205 58.100 0.078 0.000 1.039 310 Y CB 0.957 39.411 38.460 -0.009 0.000 1.331 310 Y HN -0.108 nan 8.280 nan 0.000 0.456 311 A N 0.949 123.648 122.820 -0.202 0.000 2.019 311 A HA -0.082 4.306 4.320 0.113 0.000 0.219 311 A C 1.306 178.830 177.584 -0.099 0.000 1.164 311 A CA 1.827 53.684 52.037 -0.299 0.000 0.644 311 A CB -0.603 18.109 19.000 -0.479 0.000 0.805 311 A HN 0.889 nan 8.150 nan 0.000 0.449 312 E N 0.652 120.893 120.200 0.069 0.000 2.482 312 E HA -0.012 4.406 4.350 0.113 0.000 0.196 312 E C 0.134 176.789 176.600 0.092 0.000 1.047 312 E CA 0.141 56.615 56.400 0.124 0.000 0.869 312 E CB -0.131 29.694 29.700 0.208 0.000 0.836 312 E HN 0.498 nan 8.360 nan 0.000 0.520 313 D N 0.084 120.346 120.400 -0.230 0.000 2.493 313 D HA -0.060 4.648 4.640 0.113 0.000 0.240 313 D C 0.663 176.910 176.300 -0.087 0.000 1.142 313 D CA 0.165 53.909 54.000 -0.427 0.000 0.872 313 D CB 1.160 41.460 40.800 -0.833 0.000 1.173 313 D HN 0.010 nan 8.370 nan 0.000 0.467 314 V N 2.519 122.446 119.914 0.022 0.000 3.346 314 V HA 0.219 4.408 4.120 0.113 0.000 0.309 314 V C 0.229 176.384 176.094 0.101 0.000 1.457 314 V CA -0.724 61.606 62.300 0.049 0.000 1.069 314 V CB -0.978 30.875 31.823 0.051 0.000 0.944 314 V HN 0.430 nan 8.190 nan 0.000 0.449 315 Y N 1.962 122.263 120.300 0.001 0.000 2.605 315 Y HA 0.378 4.997 4.550 0.114 0.000 0.336 315 Y C 0.596 176.582 175.900 0.143 0.000 1.111 315 Y CA -0.785 57.355 58.100 0.068 0.000 1.422 315 Y CB -0.609 37.941 38.460 0.151 0.000 1.193 315 Y HN 0.394 nan 8.280 nan 0.000 0.526 316 Y N 4.957 125.053 120.300 -0.340 0.000 3.978 316 Y HA -0.441 4.176 4.550 0.113 0.000 0.219 316 Y C 0.982 176.762 175.900 -0.199 0.000 1.153 316 Y CA 1.164 59.061 58.100 -0.339 0.000 1.718 316 Y CB -1.669 36.484 38.460 -0.512 0.000 1.541 316 Y HN 0.898 nan 8.280 nan 0.000 0.640 317 N N -2.908 115.769 118.700 -0.038 0.000 2.994 317 N HA -0.140 4.668 4.740 0.113 0.000 0.221 317 N C 0.499 175.999 175.510 -0.018 0.000 0.900 317 N CA 1.656 54.688 53.050 -0.030 0.000 1.008 317 N CB -1.369 37.092 38.487 -0.044 0.000 1.053 317 N HN 1.543 nan 8.380 nan 0.000 0.580 318 G N 0.848 109.642 108.800 -0.011 0.000 3.313 318 G HA2 -0.170 3.858 3.960 0.113 0.000 0.563 318 G HA3 -0.170 3.858 3.960 0.113 0.000 0.563 318 G C -0.763 174.096 174.900 -0.068 0.000 1.037 318 G CA 0.060 45.151 45.100 -0.015 0.000 0.848 318 G HN 0.444 nan 8.290 nan 0.000 0.416 319 N N 2.695 121.299 118.700 -0.159 0.000 2.455 319 N HA 0.641 5.449 4.740 0.113 0.000 0.278 319 N C -2.896 172.258 175.510 -0.593 0.000 1.291 319 N CA -1.388 51.350 53.050 -0.520 0.000 0.780 319 N CB 2.823 40.996 38.487 -0.522 0.000 1.520 319 N HN 0.300 nan 8.380 nan 0.000 0.486 320 P HA 0.121 nan 4.420 nan 0.000 0.269 320 P C -0.855 175.914 177.300 -0.885 0.000 1.215 320 P CA 0.245 62.713 63.100 -1.053 0.000 0.780 320 P CB 0.434 31.141 31.700 -1.654 0.000 0.898 321 W N 1.110 121.901 121.300 -0.848 0.000 2.666 321 W HA 0.333 5.063 4.660 0.117 0.000 0.334 321 W C 1.059 177.352 176.519 -0.377 0.000 1.051 321 W CA -0.174 56.824 57.345 -0.579 0.000 1.224 321 W CB 0.131 29.324 29.460 -0.445 0.000 1.405 321 W HN 0.440 nan 8.180 nan 0.000 0.513 322 Y N 1.856 122.185 120.300 0.047 0.000 2.128 322 Y HA -0.294 4.324 4.550 0.113 0.000 0.284 322 Y C 2.342 178.128 175.900 -0.190 0.000 1.154 322 Y CA 2.202 60.228 58.100 -0.122 0.000 1.149 322 Y CB -1.025 37.382 38.460 -0.088 0.000 0.976 322 Y HN 0.354 nan 8.280 nan 0.000 0.505 323 L N -1.347 119.993 121.223 0.195 0.000 2.201 323 L HA 0.050 4.458 4.340 0.113 0.000 0.212 323 L C 2.193 179.132 176.870 0.115 0.000 1.105 323 L CA 1.781 56.739 54.840 0.196 0.000 0.775 323 L CB -1.324 40.687 42.059 -0.080 0.000 0.913 323 L HN 0.036 nan 8.230 nan 0.000 0.440 324 A N -0.107 122.727 122.820 0.022 0.000 1.898 324 A HA -0.059 4.329 4.320 0.113 0.000 0.214 324 A C 2.297 179.831 177.584 -0.084 0.000 1.183 324 A CA 1.841 53.842 52.037 -0.060 0.000 0.622 324 A CB -1.119 17.759 19.000 -0.204 0.000 0.824 324 A HN 0.496 nan 8.150 nan 0.000 0.444 325 T N -0.191 114.302 114.554 -0.101 0.000 2.777 325 T HA -0.072 4.346 4.350 0.113 0.000 0.266 325 T C 1.495 176.192 174.700 -0.005 0.000 1.040 325 T CA 1.469 63.524 62.100 -0.075 0.000 1.141 325 T CB -0.417 68.435 68.868 -0.026 0.000 0.868 325 T HN 0.366 nan 8.240 nan 0.000 0.444 326 F N 1.910 121.952 119.950 0.154 0.000 2.171 326 F HA 0.084 4.679 4.527 0.113 0.000 0.300 326 F C 2.642 178.465 175.800 0.039 0.000 1.090 326 F CA 0.102 58.191 58.000 0.148 0.000 1.293 326 F CB -1.327 37.808 39.000 0.225 0.000 1.013 326 F HN 0.143 nan 8.300 nan 0.000 0.486 327 A N 0.129 123.059 122.820 0.182 0.000 1.908 327 A HA -0.074 4.314 4.320 0.113 0.000 0.218 327 A C 2.498 180.026 177.584 -0.092 0.000 1.181 327 A CA 1.878 53.959 52.037 0.073 0.000 0.627 327 A CB -1.269 17.789 19.000 0.096 0.000 0.818 327 A HN 0.298 nan 8.150 nan 0.000 0.445 328 A N -0.100 122.562 122.820 -0.263 0.000 1.877 328 A HA 0.124 4.512 4.320 0.113 0.000 0.216 328 A C 2.531 179.780 177.584 -0.558 0.000 1.186 328 A CA 2.251 53.942 52.037 -0.576 0.000 0.620 328 A CB -1.085 17.161 19.000 -1.257 0.000 0.822 328 A HN 1.088 nan 8.150 nan 0.000 0.443 329 A N -0.415 122.165 122.820 -0.400 0.000 1.877 329 A HA -0.208 4.180 4.320 0.113 0.000 0.216 329 A C 2.039 179.365 177.584 -0.429 0.000 1.186 329 A CA 1.923 53.760 52.037 -0.334 0.000 0.620 329 A CB -0.623 18.386 19.000 0.015 0.000 0.822 329 A HN 0.678 nan 8.150 nan 0.000 0.443 330 E N -0.610 119.524 120.200 -0.109 0.000 2.085 330 E HA -0.289 4.129 4.350 0.113 0.000 0.194 330 E C 2.214 178.719 176.600 -0.158 0.000 0.994 330 E CA 1.450 57.841 56.400 -0.016 0.000 0.801 330 E CB -0.180 29.533 29.700 0.021 0.000 0.743 330 E HN 0.760 nan 8.360 nan 0.000 0.453 331 Q N 0.167 119.849 119.800 -0.198 0.000 2.084 331 Q HA -0.182 4.226 4.340 0.113 0.000 0.202 331 Q C 2.292 178.130 176.000 -0.270 0.000 0.978 331 Q CA 1.357 57.025 55.803 -0.224 0.000 0.844 331 Q CB -0.019 28.620 28.738 -0.164 0.000 0.898 331 Q HN 0.384 nan 8.270 nan 0.000 0.426 332 L N -0.500 120.560 121.223 -0.271 0.000 2.056 332 L HA -0.181 4.227 4.340 0.113 0.000 0.207 332 L C 2.241 178.992 176.870 -0.199 0.000 1.078 332 L CA 0.909 55.615 54.840 -0.223 0.000 0.749 332 L CB -0.573 41.392 42.059 -0.158 0.000 0.901 332 L HN 0.268 nan 8.230 nan 0.000 0.433 333 Y N 0.370 120.620 120.300 -0.083 0.000 2.207 333 Y HA -0.263 4.355 4.550 0.114 0.000 0.287 333 Y C 2.440 178.240 175.900 -0.168 0.000 1.156 333 Y CA 0.900 58.956 58.100 -0.075 0.000 1.182 333 Y CB -0.851 37.576 38.460 -0.055 0.000 0.979 333 Y HN 0.232 nan 8.280 nan 0.000 0.521 334 D N -0.416 119.845 120.400 -0.232 0.000 2.117 334 D HA -0.144 4.564 4.640 0.113 0.000 0.197 334 D C 2.308 178.350 176.300 -0.429 0.000 0.987 334 D CA 1.440 55.061 54.000 -0.632 0.000 0.829 334 D CB -0.551 39.516 40.800 -1.222 0.000 0.961 334 D HN 0.303 nan 8.370 nan 0.000 0.460 335 A N 0.722 123.256 122.820 -0.477 0.000 1.877 335 A HA -0.148 4.240 4.320 0.113 0.000 0.216 335 A C 2.387 179.413 177.584 -0.931 0.000 1.186 335 A CA 0.997 52.539 52.037 -0.825 0.000 0.620 335 A CB -0.796 17.602 19.000 -1.003 0.000 0.822 335 A HN 0.196 nan 8.150 nan 0.000 0.443 336 I N -2.017 118.315 120.570 -0.395 0.000 2.208 336 I HA -0.300 3.938 4.170 0.113 0.000 0.245 336 I C 2.450 178.647 176.117 0.133 0.000 1.097 336 I CA 1.905 63.233 61.300 0.048 0.000 1.363 336 I CB -0.459 37.676 38.000 0.224 0.000 1.051 336 I HN 0.547 nan 8.210 nan 0.000 0.413 337 Y N 1.262 121.572 120.300 0.017 0.000 2.114 337 Y HA -0.302 4.316 4.550 0.113 0.000 0.282 337 Y C 2.474 178.452 175.900 0.130 0.000 1.165 337 Y CA 2.038 60.199 58.100 0.102 0.000 1.148 337 Y CB -0.325 38.218 38.460 0.139 0.000 0.972 337 Y HN -0.120 nan 8.280 nan 0.000 0.504 338 V N -0.963 119.070 119.914 0.197 0.000 2.358 338 V HA -0.280 3.908 4.120 0.113 0.000 0.246 338 V C 2.133 178.348 176.094 0.202 0.000 1.047 338 V CA 1.688 64.085 62.300 0.160 0.000 1.035 338 V CB -0.839 31.073 31.823 0.149 0.000 0.658 338 V HN 0.546 nan 8.190 nan 0.000 0.452 339 W N 0.928 122.333 121.300 0.174 0.000 2.335 339 W HA -0.131 4.596 4.660 0.112 0.000 0.311 339 W C 2.470 179.163 176.519 0.289 0.000 1.213 339 W CA 1.271 58.741 57.345 0.208 0.000 1.274 339 W CB -1.087 28.445 29.460 0.120 0.000 1.148 339 W HN 0.254 nan 8.180 nan 0.000 0.498 340 K N 0.170 120.825 120.400 0.426 0.000 2.057 340 K HA -0.173 4.215 4.320 0.113 0.000 0.207 340 K C 2.069 178.750 176.600 0.135 0.000 1.049 340 K CA 1.421 57.900 56.287 0.319 0.000 0.931 340 K CB -0.353 32.252 32.500 0.175 0.000 0.714 340 K HN 0.009 nan 8.250 nan 0.000 0.440 341 K N 0.558 120.955 120.400 -0.005 0.000 2.057 341 K HA -0.120 4.268 4.320 0.113 0.000 0.206 341 K C 2.053 178.673 176.600 0.035 0.000 1.050 341 K CA 1.858 58.103 56.287 -0.069 0.000 0.935 341 K CB 0.027 32.413 32.500 -0.189 0.000 0.715 341 K HN 0.248 nan 8.250 nan 0.000 0.439 342 T N -3.320 111.300 114.554 0.111 0.000 3.067 342 T HA 0.118 4.536 4.350 0.113 0.000 0.261 342 T C 1.243 176.006 174.700 0.104 0.000 1.110 342 T CA 0.621 62.791 62.100 0.117 0.000 1.113 342 T CB 0.096 69.062 68.868 0.163 0.000 0.917 342 T HN 0.368 nan 8.240 nan 0.000 0.499 343 G N 0.370 109.253 108.800 0.138 0.000 2.198 343 G HA2 -0.165 3.863 3.960 0.113 0.000 0.260 343 G HA3 -0.165 3.863 3.960 0.113 0.000 0.260 343 G C 0.026 174.897 174.900 -0.048 0.000 1.025 343 G CA 0.366 45.453 45.100 -0.022 0.000 0.769 343 G HN 1.129 nan 8.290 nan 0.000 0.507 344 S N -1.146 114.718 115.700 0.273 0.000 2.533 344 S HA 0.750 5.288 4.470 0.113 0.000 0.271 344 S C -0.806 173.991 174.600 0.328 0.000 1.143 344 S CA -0.729 57.621 58.200 0.251 0.000 0.891 344 S CB 1.219 64.494 63.200 0.125 0.000 1.105 344 S HN 0.728 nan 8.310 nan 0.000 0.468 345 I N 3.192 123.870 120.570 0.181 0.000 2.478 345 I HA 0.345 4.583 4.170 0.113 0.000 0.287 345 I C -0.507 175.565 176.117 -0.076 0.000 1.042 345 I CA -0.491 60.726 61.300 -0.139 0.000 1.067 345 I CB 2.449 40.119 38.000 -0.550 0.000 1.233 345 I HN 0.476 nan 8.210 nan 0.000 0.431 346 T N 5.561 120.095 114.554 -0.035 0.000 2.758 346 T HA 0.444 4.862 4.350 0.113 0.000 0.285 346 T C -0.159 174.497 174.700 -0.074 0.000 0.981 346 T CA -0.428 61.642 62.100 -0.051 0.000 0.965 346 T CB 1.611 70.487 68.868 0.013 0.000 0.927 346 T HN 0.157 nan 8.240 nan 0.000 0.448 347 V N 4.579 124.402 119.914 -0.152 0.000 2.394 347 V HA 0.623 4.811 4.120 0.113 0.000 0.282 347 V C 0.776 176.883 176.094 0.022 0.000 1.031 347 V CA -0.710 61.506 62.300 -0.140 0.000 0.881 347 V CB 1.391 33.060 31.823 -0.256 0.000 0.982 347 V HN 1.090 nan 8.190 nan 0.000 0.451 348 T N 1.658 116.288 114.554 0.126 0.000 2.927 348 T HA 0.676 5.094 4.350 0.113 0.000 0.286 348 T C 1.222 176.008 174.700 0.145 0.000 1.040 348 T CA -0.000 62.165 62.100 0.109 0.000 1.010 348 T CB 1.946 70.876 68.868 0.104 0.000 1.177 348 T HN 0.671 nan 8.240 nan 0.000 0.546 349 A N 0.615 123.505 122.820 0.117 0.000 1.978 349 A HA -0.010 4.378 4.320 0.113 0.000 0.220 349 A C 2.310 179.994 177.584 0.168 0.000 1.170 349 A CA 2.387 54.500 52.037 0.127 0.000 0.636 349 A CB -1.786 17.275 19.000 0.101 0.000 0.810 349 A HN 0.914 nan 8.150 nan 0.000 0.448 350 T N 0.180 114.843 114.554 0.181 0.000 2.812 350 T HA -0.078 4.340 4.350 0.113 0.000 0.264 350 T C 2.028 176.886 174.700 0.264 0.000 1.042 350 T CA 1.745 63.981 62.100 0.228 0.000 1.140 350 T CB -0.264 68.730 68.868 0.211 0.000 0.870 350 T HN 0.750 nan 8.240 nan 0.000 0.445 351 S N 0.832 116.706 115.700 0.289 0.000 2.605 351 S HA 0.194 4.732 4.470 0.113 0.000 0.217 351 S C 1.729 176.626 174.600 0.495 0.000 0.958 351 S CA -0.279 58.149 58.200 0.380 0.000 0.919 351 S CB -0.331 63.150 63.200 0.469 0.000 0.780 351 S HN 0.216 nan 8.310 nan 0.000 0.507 352 L N 2.193 123.635 121.223 0.364 0.000 2.046 352 L HA 0.102 4.510 4.340 0.113 0.000 0.208 352 L C 2.596 179.638 176.870 0.287 0.000 1.077 352 L CA 1.894 56.931 54.840 0.328 0.000 0.747 352 L CB -1.076 41.105 42.059 0.204 0.000 0.896 352 L HN 0.383 nan 8.230 nan 0.000 0.432 353 A N -1.027 121.934 122.820 0.235 0.000 1.902 353 A HA -0.256 4.132 4.320 0.113 0.000 0.217 353 A C 2.258 179.933 177.584 0.152 0.000 1.181 353 A CA 1.728 53.864 52.037 0.166 0.000 0.623 353 A CB -1.151 17.939 19.000 0.150 0.000 0.818 353 A HN 0.565 nan 8.150 nan 0.000 0.443 354 F N -0.250 119.737 119.950 0.062 0.000 2.069 354 F HA -0.183 4.413 4.527 0.115 0.000 0.298 354 F C 1.865 177.604 175.800 -0.101 0.000 1.113 354 F CA 1.931 59.901 58.000 -0.050 0.000 1.214 354 F CB -0.423 38.489 39.000 -0.148 0.000 0.978 354 F HN 0.198 nan 8.300 nan 0.000 0.474 355 F N 0.800 120.811 119.950 0.101 0.000 2.186 355 F HA -0.131 4.464 4.527 0.112 0.000 0.299 355 F C 2.576 178.288 175.800 -0.148 0.000 1.090 355 F CA 1.583 59.549 58.000 -0.056 0.000 1.307 355 F CB -1.011 38.051 39.000 0.104 0.000 1.019 355 F HN 0.043 nan 8.300 nan 0.000 0.489 356 Q N -0.217 119.644 119.800 0.101 0.000 2.224 356 Q HA -0.221 4.187 4.340 0.113 0.000 0.203 356 Q C 2.093 178.052 176.000 -0.068 0.000 0.970 356 Q CA 1.261 57.076 55.803 0.021 0.000 0.865 356 Q CB -0.247 28.518 28.738 0.045 0.000 0.922 356 Q HN 0.519 nan 8.270 nan 0.000 0.445 357 E N 0.576 120.693 120.200 -0.139 0.000 2.153 357 E HA -0.168 4.250 4.350 0.113 0.000 0.194 357 E C 1.599 178.035 176.600 -0.274 0.000 0.988 357 E CA 0.716 56.994 56.400 -0.204 0.000 0.811 357 E CB 0.174 29.722 29.700 -0.252 0.000 0.746 357 E HN 0.331 nan 8.360 nan 0.000 0.466 358 L N -0.306 120.719 121.223 -0.329 0.000 2.357 358 L HA 0.138 4.546 4.340 0.113 0.000 0.211 358 L C 0.246 177.021 176.870 -0.159 0.000 1.075 358 L CA 0.041 54.695 54.840 -0.309 0.000 0.830 358 L CB 1.048 42.862 42.059 -0.408 0.000 0.996 358 L HN -0.096 nan 8.230 nan 0.000 0.467 359 V N 1.099 120.951 119.914 -0.104 0.000 2.380 359 V HA 0.295 4.483 4.120 0.113 0.000 0.268 359 V C -2.421 173.639 176.094 -0.057 0.000 1.008 359 V CA -1.461 60.796 62.300 -0.072 0.000 0.823 359 V CB 0.849 32.631 31.823 -0.068 0.000 1.053 359 V HN -0.042 nan 8.190 nan 0.000 0.446 360 P HA 0.223 nan 4.420 nan 0.000 0.265 360 P C 1.162 178.443 177.300 -0.032 0.000 1.193 360 P CA 1.477 64.552 63.100 -0.041 0.000 0.765 360 P CB 0.748 32.423 31.700 -0.041 0.000 0.823 361 G N 1.265 110.055 108.800 -0.016 0.000 2.205 361 G HA2 -0.251 3.777 3.960 0.113 0.000 0.261 361 G HA3 -0.251 3.777 3.960 0.113 0.000 0.261 361 G C 0.283 175.177 174.900 -0.011 0.000 0.980 361 G CA 0.015 45.109 45.100 -0.010 0.000 0.632 361 G HN 0.668 nan 8.290 nan 0.000 0.533 362 V N 2.289 122.188 119.914 -0.024 0.000 2.872 362 V HA 0.572 4.760 4.120 0.113 0.000 0.307 362 V C 1.159 177.265 176.094 0.020 0.000 1.072 362 V CA 1.269 63.543 62.300 -0.044 0.000 1.148 362 V CB 1.276 33.032 31.823 -0.112 0.000 0.954 362 V HN 1.081 nan 8.190 nan 0.000 0.490 363 T N 3.893 118.484 114.554 0.062 0.000 2.940 363 T HA 0.807 5.225 4.350 0.113 0.000 0.288 363 T C -0.014 174.763 174.700 0.128 0.000 1.045 363 T CA -0.293 61.862 62.100 0.092 0.000 1.018 363 T CB 1.542 70.460 68.868 0.083 0.000 1.151 363 T HN 1.378 nan 8.240 nan 0.000 0.529 364 A N 0.085 122.954 122.820 0.082 0.000 2.520 364 A HA 0.642 5.030 4.320 0.113 0.000 0.235 364 A C 0.969 178.541 177.584 -0.020 0.000 1.065 364 A CA 0.467 52.531 52.037 0.044 0.000 0.764 364 A CB -0.964 18.058 19.000 0.036 0.000 1.002 364 A HN 2.009 nan 8.150 nan 0.000 0.502 365 G N -0.288 108.429 108.800 -0.139 0.000 2.337 365 G HA2 0.463 4.491 3.960 0.113 0.000 0.298 365 G HA3 0.463 4.491 3.960 0.113 0.000 0.298 365 G C -0.849 173.701 174.900 -0.582 0.000 1.335 365 G CA -0.177 44.698 45.100 -0.375 0.000 0.875 365 G HN 0.987 nan 8.290 nan 0.000 0.579 366 T N 0.842 115.006 114.554 -0.651 0.000 2.779 366 T HA 0.626 5.044 4.350 0.113 0.000 0.280 366 T C -1.385 172.933 174.700 -0.636 0.000 0.987 366 T CA -0.018 61.786 62.100 -0.493 0.000 0.966 366 T CB 0.844 69.578 68.868 -0.222 0.000 0.933 366 T HN 0.391 nan 8.240 nan 0.000 0.442 367 Y N 1.849 122.124 120.300 -0.042 0.000 2.328 367 Y HA 0.489 5.107 4.550 0.113 0.000 0.336 367 Y C 0.950 176.888 175.900 0.064 0.000 0.960 367 Y CA -1.084 57.017 58.100 0.001 0.000 1.134 367 Y CB 1.253 39.705 38.460 -0.015 0.000 1.166 367 Y HN 0.677 nan 8.280 nan 0.000 0.464 368 S N 0.113 115.873 115.700 0.100 0.000 2.669 368 S HA 0.186 4.724 4.470 0.113 0.000 0.270 368 S C 1.206 175.609 174.600 -0.328 0.000 1.225 368 S CA -0.121 58.035 58.200 -0.073 0.000 0.991 368 S CB 1.221 64.369 63.200 -0.088 0.000 0.987 368 S HN 0.722 nan 8.310 nan 0.000 0.552 369 S N 0.646 115.901 115.700 -0.741 0.000 2.469 369 S HA -0.088 4.450 4.470 0.113 0.000 0.238 369 S C 1.518 175.841 174.600 -0.463 0.000 0.998 369 S CA 1.023 58.491 58.200 -1.220 0.000 0.957 369 S CB -0.910 61.733 63.200 -0.928 0.000 0.764 369 S HN 0.634 nan 8.310 nan 0.000 0.514 370 S N 1.818 117.378 115.700 -0.234 0.000 2.470 370 S HA 0.117 4.655 4.470 0.113 0.000 0.225 370 S C 1.127 175.713 174.600 -0.022 0.000 1.006 370 S CA 0.411 58.555 58.200 -0.094 0.000 0.934 370 S CB -0.217 62.944 63.200 -0.066 0.000 0.778 370 S HN 0.826 nan 8.310 nan 0.000 0.517 371 S N 1.953 117.660 115.700 0.011 0.000 2.576 371 S HA 0.190 4.728 4.470 0.113 0.000 0.276 371 S C 1.358 176.013 174.600 0.091 0.000 1.339 371 S CA -0.076 58.168 58.200 0.074 0.000 1.039 371 S CB 1.263 64.549 63.200 0.144 0.000 0.902 371 S HN 0.323 nan 8.310 nan 0.000 0.516 372 S N 2.371 118.102 115.700 0.052 0.000 2.399 372 S HA -0.142 4.396 4.470 0.113 0.000 0.231 372 S C 1.642 176.243 174.600 0.002 0.000 1.022 372 S CA 1.371 59.591 58.200 0.034 0.000 0.983 372 S CB -1.521 61.684 63.200 0.009 0.000 0.803 372 S HN 0.832 nan 8.310 nan 0.000 0.480 373 T N 1.759 116.281 114.554 -0.054 0.000 2.708 373 T HA -0.032 4.386 4.350 0.113 0.000 0.266 373 T C 1.262 175.864 174.700 -0.163 0.000 1.037 373 T CA 1.379 63.337 62.100 -0.237 0.000 1.146 373 T CB -0.690 67.800 68.868 -0.629 0.000 0.865 373 T HN 0.456 nan 8.240 nan 0.000 0.435 374 F N 2.258 122.121 119.950 -0.145 0.000 2.065 374 F HA -0.228 4.367 4.527 0.113 0.000 0.298 374 F C 2.495 178.264 175.800 -0.053 0.000 1.112 374 F CA 1.774 59.722 58.000 -0.086 0.000 1.212 374 F CB -0.872 38.121 39.000 -0.011 0.000 0.975 374 F HN 0.068 nan 8.300 nan 0.000 0.476 375 T N 0.639 115.319 114.554 0.209 0.000 2.720 375 T HA -0.199 4.219 4.350 0.113 0.000 0.268 375 T C 1.695 176.396 174.700 0.001 0.000 1.037 375 T CA 1.574 63.747 62.100 0.122 0.000 1.144 375 T CB -0.408 68.543 68.868 0.139 0.000 0.864 375 T HN 0.252 nan 8.240 nan 0.000 0.444 376 N N 0.954 119.634 118.700 -0.032 0.000 2.188 376 N HA 0.071 4.879 4.740 0.113 0.000 0.184 376 N C 1.876 177.342 175.510 -0.072 0.000 1.018 376 N CA 0.769 53.788 53.050 -0.051 0.000 0.858 376 N CB -0.373 38.072 38.487 -0.070 0.000 0.989 376 N HN 0.392 nan 8.380 nan 0.000 0.426 377 I N 0.939 121.425 120.570 -0.141 0.000 2.179 377 I HA -0.227 4.011 4.170 0.113 0.000 0.242 377 I C 1.935 178.018 176.117 -0.057 0.000 1.088 377 I CA 0.724 61.948 61.300 -0.127 0.000 1.357 377 I CB -0.173 37.661 38.000 -0.276 0.000 1.051 377 I HN 0.043 nan 8.210 nan 0.000 0.409 378 I N 1.090 121.570 120.570 -0.149 0.000 2.163 378 I HA -0.307 3.931 4.170 0.113 0.000 0.243 378 I C 2.245 178.416 176.117 0.089 0.000 1.085 378 I CA 1.775 63.065 61.300 -0.015 0.000 1.347 378 I CB -1.557 36.385 38.000 -0.096 0.000 1.044 378 I HN 0.355 nan 8.210 nan 0.000 0.408 379 N N 1.242 119.975 118.700 0.054 0.000 2.120 379 N HA -0.111 4.697 4.740 0.113 0.000 0.188 379 N C 1.941 177.504 175.510 0.089 0.000 1.024 379 N CA 1.683 54.779 53.050 0.077 0.000 0.852 379 N CB -0.395 38.124 38.487 0.053 0.000 1.003 379 N HN 0.377 nan 8.380 nan 0.000 0.424 380 A N 0.723 123.580 122.820 0.063 0.000 1.877 380 A HA -0.070 4.318 4.320 0.113 0.000 0.216 380 A C 2.508 180.166 177.584 0.124 0.000 1.186 380 A CA 1.396 53.464 52.037 0.052 0.000 0.620 380 A CB -0.794 18.201 19.000 -0.008 0.000 0.822 380 A HN 0.109 nan 8.150 nan 0.000 0.443 381 V N -0.103 119.927 119.914 0.192 0.000 2.358 381 V HA -0.193 3.995 4.120 0.113 0.000 0.246 381 V C 2.772 179.050 176.094 0.307 0.000 1.047 381 V CA 2.201 64.696 62.300 0.325 0.000 1.035 381 V CB -0.775 31.346 31.823 0.497 0.000 0.658 381 V HN 0.552 nan 8.190 nan 0.000 0.452 382 S N -0.123 115.733 115.700 0.261 0.000 2.359 382 S HA -0.222 4.316 4.470 0.113 0.000 0.224 382 S C 2.105 176.848 174.600 0.239 0.000 1.035 382 S CA 2.056 60.413 58.200 0.262 0.000 1.018 382 S CB -0.481 62.857 63.200 0.231 0.000 0.876 382 S HN 0.670 nan 8.310 nan 0.000 0.448 383 T N 0.883 115.554 114.554 0.196 0.000 2.746 383 T HA -0.120 4.298 4.350 0.113 0.000 0.267 383 T C 1.571 176.387 174.700 0.194 0.000 1.039 383 T CA 1.393 63.592 62.100 0.166 0.000 1.142 383 T CB -0.415 68.523 68.868 0.118 0.000 0.866 383 T HN 0.447 nan 8.240 nan 0.000 0.444 384 Y N 2.066 122.403 120.300 0.061 0.000 2.163 384 Y HA 0.049 4.666 4.550 0.112 0.000 0.288 384 Y C 2.535 178.501 175.900 0.110 0.000 1.136 384 Y CA 0.611 58.730 58.100 0.033 0.000 1.147 384 Y CB -1.026 37.471 38.460 0.062 0.000 0.987 384 Y HN 0.175 nan 8.280 nan 0.000 0.509 385 A N 0.149 123.055 122.820 0.143 0.000 1.883 385 A HA -0.217 4.171 4.320 0.113 0.000 0.217 385 A C 1.975 179.615 177.584 0.094 0.000 1.186 385 A CA 2.104 54.124 52.037 -0.028 0.000 0.624 385 A CB -0.987 17.766 19.000 -0.412 0.000 0.822 385 A HN 0.482 nan 8.150 nan 0.000 0.444 386 D N -0.370 120.161 120.400 0.218 0.000 2.182 386 D HA -0.077 4.631 4.640 0.113 0.000 0.201 386 D C 2.003 178.394 176.300 0.152 0.000 0.986 386 D CA 1.311 55.471 54.000 0.266 0.000 0.847 386 D CB -0.624 40.316 40.800 0.234 0.000 0.942 386 D HN 0.457 nan 8.370 nan 0.000 0.467 387 G N -0.307 108.517 108.800 0.041 0.000 2.418 387 G HA2 -0.254 3.774 3.960 0.113 0.000 0.217 387 G HA3 -0.254 3.774 3.960 0.113 0.000 0.217 387 G C 1.384 176.184 174.900 -0.166 0.000 1.158 387 G CA 0.231 45.273 45.100 -0.097 0.000 0.771 387 G HN 0.201 nan 8.290 nan 0.000 0.545 388 F N 0.756 120.676 119.950 -0.049 0.000 2.134 388 F HA 0.055 4.651 4.527 0.115 0.000 0.299 388 F C 2.666 178.526 175.800 0.099 0.000 1.097 388 F CA 0.739 58.726 58.000 -0.022 0.000 1.264 388 F CB -0.400 38.548 39.000 -0.087 0.000 1.001 388 F HN 0.013 nan 8.300 nan 0.000 0.479 389 L N -1.021 120.426 121.223 0.373 0.000 2.046 389 L HA -0.243 4.165 4.340 0.113 0.000 0.208 389 L C 2.435 179.437 176.870 0.219 0.000 1.077 389 L CA 1.576 56.688 54.840 0.452 0.000 0.747 389 L CB -1.002 41.353 42.059 0.495 0.000 0.896 389 L HN 0.094 nan 8.230 nan 0.000 0.432 390 S N -0.772 114.983 115.700 0.092 0.000 2.402 390 S HA -0.120 4.418 4.470 0.113 0.000 0.229 390 S C 1.821 176.336 174.600 -0.141 0.000 1.021 390 S CA 0.820 58.984 58.200 -0.060 0.000 0.974 390 S CB -0.101 63.079 63.200 -0.033 0.000 0.800 390 S HN 0.375 nan 8.310 nan 0.000 0.484 391 E N 1.820 121.977 120.200 -0.071 0.000 2.047 391 E HA -0.029 4.389 4.350 0.113 0.000 0.191 391 E C 2.377 178.919 176.600 -0.096 0.000 0.987 391 E CA 1.149 57.511 56.400 -0.064 0.000 0.799 391 E CB -0.573 29.140 29.700 0.021 0.000 0.752 391 E HN 0.484 nan 8.360 nan 0.000 0.449 392 A N 1.427 124.213 122.820 -0.057 0.000 1.933 392 A HA -0.080 4.308 4.320 0.113 0.000 0.218 392 A C 2.407 179.843 177.584 -0.246 0.000 1.175 392 A CA 2.009 53.949 52.037 -0.162 0.000 0.628 392 A CB -0.565 18.328 19.000 -0.180 0.000 0.814 392 A HN 0.258 nan 8.150 nan 0.000 0.444 393 A N -0.071 122.523 122.820 -0.377 0.000 1.972 393 A HA -0.168 4.220 4.320 0.113 0.000 0.219 393 A C 2.015 179.258 177.584 -0.568 0.000 1.169 393 A CA 1.760 53.333 52.037 -0.773 0.000 0.635 393 A CB -0.442 17.779 19.000 -1.298 0.000 0.810 393 A HN 0.570 nan 8.150 nan 0.000 0.446 394 K N -1.680 118.352 120.400 -0.614 0.000 2.281 394 K HA -0.149 4.239 4.320 0.113 0.000 0.203 394 K C 0.291 176.362 176.600 -0.880 0.000 1.046 394 K CA 1.430 57.237 56.287 -0.800 0.000 0.938 394 K CB -0.211 31.597 32.500 -1.155 0.000 0.737 394 K HN 0.711 nan 8.250 nan 0.000 0.458 395 Y N -0.499 119.599 120.300 -0.336 0.000 2.660 395 Y HA 0.181 4.799 4.550 0.113 0.000 0.254 395 Y C -0.102 175.699 175.900 -0.166 0.000 1.176 395 Y CA -0.686 57.209 58.100 -0.342 0.000 1.195 395 Y CB 0.522 38.528 38.460 -0.758 0.000 1.190 395 Y HN -0.307 nan 8.280 nan 0.000 0.535 396 V N 3.350 123.226 119.914 -0.064 0.000 2.406 396 V HA 0.303 4.491 4.120 0.113 0.000 0.272 396 V C -1.894 174.183 176.094 -0.029 0.000 1.043 396 V CA -2.069 60.215 62.300 -0.028 0.000 0.915 396 V CB 0.980 32.820 31.823 0.028 0.000 0.988 396 V HN 0.054 nan 8.190 nan 0.000 0.466 397 P HA 0.209 nan 4.420 nan 0.000 0.273 397 P C 0.804 178.098 177.300 -0.009 0.000 1.250 397 P CA -0.242 62.846 63.100 -0.020 0.000 0.793 397 P CB 0.662 32.345 31.700 -0.029 0.000 1.011 398 A N 1.461 124.276 122.820 -0.008 0.000 2.024 398 A HA -0.210 4.178 4.320 0.113 0.000 0.220 398 A C 1.484 179.071 177.584 0.005 0.000 1.164 398 A CA 2.119 54.156 52.037 0.000 0.000 0.643 398 A CB -1.319 17.679 19.000 -0.004 0.000 0.806 398 A HN 0.698 nan 8.150 nan 0.000 0.451 399 D N -2.079 118.323 120.400 0.004 0.000 2.349 399 D HA 0.245 4.953 4.640 0.113 0.000 0.224 399 D C 1.184 177.495 176.300 0.018 0.000 1.029 399 D CA 0.883 54.890 54.000 0.012 0.000 0.879 399 D CB -0.768 40.044 40.800 0.022 0.000 0.906 399 D HN 0.806 nan 8.370 nan 0.000 0.528 400 G N 0.393 109.200 108.800 0.012 0.000 2.148 400 G HA2 -0.297 3.731 3.960 0.113 0.000 0.254 400 G HA3 -0.297 3.731 3.960 0.113 0.000 0.254 400 G C 0.346 175.273 174.900 0.045 0.000 0.981 400 G CA 0.524 45.629 45.100 0.008 0.000 0.670 400 G HN 0.817 nan 8.290 nan 0.000 0.528 401 S N -0.436 115.285 115.700 0.034 0.000 2.576 401 S HA 0.687 5.225 4.470 0.113 0.000 0.276 401 S C 0.098 174.584 174.600 -0.191 0.000 1.339 401 S CA -0.536 57.689 58.200 0.042 0.000 1.039 401 S CB 1.831 64.949 63.200 -0.136 0.000 0.902 401 S HN 0.672 nan 8.310 nan 0.000 0.516 402 L N 2.457 123.472 121.223 -0.347 0.000 2.345 402 L HA 0.592 5.000 4.340 0.113 0.000 0.274 402 L C 0.643 177.166 176.870 -0.579 0.000 0.999 402 L CA -0.767 53.626 54.840 -0.745 0.000 0.849 402 L CB 1.162 42.654 42.059 -0.945 0.000 1.220 402 L HN 0.960 nan 8.230 nan 0.000 0.422 403 A N 2.390 124.985 122.820 -0.376 0.000 2.260 403 A HA 0.169 4.557 4.320 0.113 0.000 0.278 403 A C 1.207 178.707 177.584 -0.141 0.000 1.269 403 A CA 0.072 51.977 52.037 -0.221 0.000 0.824 403 A CB 0.405 19.308 19.000 -0.162 0.000 1.238 403 A HN 0.837 nan 8.150 nan 0.000 0.507 404 E N -1.167 118.860 120.200 -0.288 0.000 2.051 404 E HA -0.076 4.342 4.350 0.113 0.000 0.189 404 E C 0.260 176.452 176.600 -0.679 0.000 0.979 404 E CA 0.891 56.990 56.400 -0.502 0.000 0.803 404 E CB 0.017 29.280 29.700 -0.728 0.000 0.761 404 E HN 0.676 nan 8.360 nan 0.000 0.451 405 Q N -0.806 118.607 119.800 -0.645 0.000 2.528 405 Q HA 0.425 4.833 4.340 0.113 0.000 0.289 405 Q C -1.249 174.480 176.000 -0.452 0.000 1.091 405 Q CA -0.948 54.384 55.803 -0.785 0.000 0.797 405 Q CB 2.089 30.281 28.738 -0.910 0.000 1.466 405 Q HN 0.099 nan 8.270 nan 0.000 0.436 406 F N -2.038 117.489 119.950 -0.705 0.000 2.565 406 F HA 0.427 5.022 4.527 0.114 0.000 0.313 406 F C -0.465 174.998 175.800 -0.562 0.000 1.091 406 F CA -1.287 56.359 58.000 -0.591 0.000 0.915 406 F CB 1.076 39.678 39.000 -0.663 0.000 1.208 406 F HN 0.349 nan 8.300 nan 0.000 0.453 407 D N 3.411 123.623 120.400 -0.314 0.000 2.493 407 D HA -0.011 4.697 4.640 0.113 0.000 0.240 407 D C 1.298 177.327 176.300 -0.452 0.000 1.142 407 D CA 0.033 53.823 54.000 -0.349 0.000 0.872 407 D CB 1.024 41.695 40.800 -0.216 0.000 1.173 407 D HN 0.955 nan 8.370 nan 0.000 0.467 408 R N 3.327 123.522 120.500 -0.509 0.000 2.200 408 R HA -0.139 4.269 4.340 0.113 0.000 0.234 408 R C 0.643 176.766 176.300 -0.294 0.000 1.127 408 R CA 1.000 56.746 56.100 -0.589 0.000 0.989 408 R CB -0.049 29.936 30.300 -0.525 0.000 0.869 408 R HN 0.345 nan 8.270 nan 0.000 0.459 409 N N 0.282 118.859 118.700 -0.205 0.000 2.545 409 N HA -0.037 4.771 4.740 0.113 0.000 0.190 409 N C 1.428 176.878 175.510 -0.101 0.000 1.043 409 N CA 1.416 54.399 53.050 -0.112 0.000 0.879 409 N CB 0.554 38.997 38.487 -0.073 0.000 1.210 409 N HN 0.383 nan 8.380 nan 0.000 0.437 410 S N -1.161 114.466 115.700 -0.122 0.000 2.512 410 S HA 0.317 4.855 4.470 0.113 0.000 0.216 410 S C 1.394 175.942 174.600 -0.087 0.000 1.006 410 S CA 0.612 58.768 58.200 -0.073 0.000 0.915 410 S CB 0.812 63.979 63.200 -0.055 0.000 0.824 410 S HN 0.337 nan 8.310 nan 0.000 0.497 411 G N 1.407 110.076 108.800 -0.219 0.000 2.162 411 G HA2 -0.281 3.748 3.960 0.113 0.000 0.260 411 G HA3 -0.281 3.748 3.960 0.113 0.000 0.260 411 G C 0.215 175.072 174.900 -0.071 0.000 0.976 411 G CA 0.519 45.416 45.100 -0.338 0.000 0.655 411 G HN 0.995 nan 8.290 nan 0.000 0.533 412 T N 1.634 116.153 114.554 -0.058 0.000 2.907 412 T HA 0.529 4.947 4.350 0.113 0.000 0.298 412 T C -2.035 172.637 174.700 -0.047 0.000 1.017 412 T CA -0.989 61.094 62.100 -0.030 0.000 1.118 412 T CB 0.972 69.814 68.868 -0.043 0.000 0.948 412 T HN 0.077 nan 8.240 nan 0.000 0.531 413 P HA 0.352 nan 4.420 nan 0.000 0.268 413 P C -0.729 176.481 177.300 -0.150 0.000 1.205 413 P CA -0.201 62.880 63.100 -0.032 0.000 0.771 413 P CB 0.347 32.038 31.700 -0.017 0.000 0.858 414 L N -0.707 120.363 121.223 -0.254 0.000 2.510 414 L HA 0.822 5.230 4.340 0.113 0.000 0.252 414 L C 0.220 176.730 176.870 -0.600 0.000 1.091 414 L CA -1.035 53.572 54.840 -0.390 0.000 0.888 414 L CB 1.229 43.054 42.059 -0.390 0.000 1.507 414 L HN 0.439 nan 8.230 nan 0.000 0.407 415 S N -0.353 114.820 115.700 -0.877 0.000 3.368 415 S HA -0.183 4.355 4.470 0.113 0.000 0.632 415 S C 0.345 174.563 174.600 -0.637 0.000 2.690 415 S CA 0.560 58.114 58.200 -1.077 0.000 3.124 415 S CB -1.473 60.978 63.200 -1.247 0.000 0.317 415 S HN 2.303 nan 8.310 nan 0.000 1.617 416 A N 1.540 123.951 122.820 -0.681 0.000 2.546 416 A HA 0.452 4.840 4.320 0.113 0.000 0.243 416 A C 0.437 177.829 177.584 -0.320 0.000 1.063 416 A CA 0.317 52.018 52.037 -0.561 0.000 0.757 416 A CB -0.509 17.980 19.000 -0.852 0.000 0.991 416 A HN 0.685 nan 8.150 nan 0.000 0.503 417 L N 2.525 123.632 121.223 -0.194 0.000 2.399 417 L HA 0.291 4.699 4.340 0.113 0.000 0.266 417 L C 0.496 177.360 176.870 -0.011 0.000 1.114 417 L CA -0.716 54.026 54.840 -0.164 0.000 0.804 417 L CB 0.326 42.305 42.059 -0.132 0.000 1.146 417 L HN 0.861 nan 8.230 nan 0.000 0.451 418 H N 0.596 119.678 119.070 0.020 0.000 2.604 418 H HA -0.168 4.456 4.556 0.113 0.000 0.321 418 H C -0.325 175.105 175.328 0.171 0.000 1.132 418 H CA 0.095 56.261 56.048 0.197 0.000 1.129 418 H CB -1.053 28.865 29.762 0.260 0.000 1.526 418 H HN 0.277 nan 8.280 nan 0.000 0.415 419 L N 1.177 122.434 121.223 0.057 0.000 2.477 419 L HA 0.031 4.439 4.340 0.113 0.000 0.272 419 L C 1.484 178.473 176.870 0.199 0.000 1.157 419 L CA 0.573 55.487 54.840 0.124 0.000 0.889 419 L CB 0.837 42.922 42.059 0.043 0.000 1.158 419 L HN 0.266 nan 8.230 nan 0.000 0.473 420 T N 4.022 118.768 114.554 0.319 0.000 2.720 420 T HA -0.220 4.198 4.350 0.113 0.000 0.268 420 T C 1.209 176.135 174.700 0.377 0.000 1.037 420 T CA 1.662 63.975 62.100 0.356 0.000 1.144 420 T CB -0.420 68.594 68.868 0.243 0.000 0.864 420 T HN 0.779 nan 8.240 nan 0.000 0.444 421 W N 2.295 123.683 121.300 0.147 0.000 2.363 421 W HA -0.041 4.686 4.660 0.111 0.000 0.296 421 W C 2.376 179.004 176.519 0.182 0.000 1.212 421 W CA 0.504 57.945 57.345 0.159 0.000 1.260 421 W CB -1.058 28.502 29.460 0.167 0.000 1.131 421 W HN 0.208 nan 8.180 nan 0.000 0.530 422 S N -0.090 115.766 115.700 0.261 0.000 2.359 422 S HA -0.255 4.283 4.470 0.113 0.000 0.224 422 S C 1.629 176.324 174.600 0.158 0.000 1.035 422 S CA 1.931 60.205 58.200 0.123 0.000 1.018 422 S CB -0.890 62.210 63.200 -0.167 0.000 0.876 422 S HN 0.267 nan 8.310 nan 0.000 0.448 423 Y N 1.667 122.107 120.300 0.235 0.000 2.181 423 Y HA -0.052 4.566 4.550 0.114 0.000 0.288 423 Y C 2.676 178.696 175.900 0.200 0.000 1.146 423 Y CA 0.404 58.606 58.100 0.170 0.000 1.164 423 Y CB -1.115 37.396 38.460 0.086 0.000 0.982 423 Y HN 0.254 nan 8.280 nan 0.000 0.515 424 A N 0.039 123.074 122.820 0.358 0.000 1.908 424 A HA -0.252 4.136 4.320 0.113 0.000 0.218 424 A C 2.490 180.250 177.584 0.293 0.000 1.181 424 A CA 2.450 54.648 52.037 0.268 0.000 0.627 424 A CB -1.239 17.906 19.000 0.241 0.000 0.818 424 A HN 0.513 nan 8.150 nan 0.000 0.445 425 S N -1.247 114.703 115.700 0.416 0.000 2.402 425 S HA -0.163 4.375 4.470 0.113 0.000 0.229 425 S C 1.831 176.516 174.600 0.141 0.000 1.021 425 S CA 1.384 59.821 58.200 0.395 0.000 0.974 425 S CB -0.727 62.795 63.200 0.536 0.000 0.800 425 S HN 0.600 nan 8.310 nan 0.000 0.484 426 F N 2.419 122.281 119.950 -0.146 0.000 2.113 426 F HA 0.129 4.724 4.527 0.113 0.000 0.297 426 F C 1.916 177.549 175.800 -0.277 0.000 1.103 426 F CA 1.180 58.814 58.000 -0.610 0.000 1.248 426 F CB -0.383 38.308 39.000 -0.515 0.000 0.999 426 F HN 0.138 nan 8.300 nan 0.000 0.475 427 L N 0.129 121.316 121.223 -0.060 0.000 2.046 427 L HA -0.217 4.191 4.340 0.113 0.000 0.208 427 L C 2.665 179.432 176.870 -0.172 0.000 1.077 427 L CA 1.902 56.672 54.840 -0.117 0.000 0.747 427 L CB -1.269 40.818 42.059 0.046 0.000 0.896 427 L HN 0.375 nan 8.230 nan 0.000 0.432 428 T N -2.781 111.729 114.554 -0.074 0.000 2.812 428 T HA -0.075 4.343 4.350 0.113 0.000 0.264 428 T C 1.982 176.631 174.700 -0.086 0.000 1.042 428 T CA 0.829 62.905 62.100 -0.039 0.000 1.140 428 T CB -0.386 68.512 68.868 0.050 0.000 0.870 428 T HN 0.281 nan 8.240 nan 0.000 0.445 429 A N 2.344 125.095 122.820 -0.114 0.000 1.908 429 A HA -0.078 4.310 4.320 0.113 0.000 0.218 429 A C 2.761 180.249 177.584 -0.161 0.000 1.181 429 A CA 2.573 54.587 52.037 -0.038 0.000 0.627 429 A CB -1.551 17.447 19.000 -0.004 0.000 0.818 429 A HN 0.766 nan 8.150 nan 0.000 0.445 430 T N -2.492 111.812 114.554 -0.417 0.000 2.904 430 T HA 0.211 4.629 4.350 0.113 0.000 0.267 430 T C 1.924 176.431 174.700 -0.321 0.000 1.059 430 T CA 1.361 63.181 62.100 -0.467 0.000 1.137 430 T CB -0.456 67.982 68.868 -0.717 0.000 0.879 430 T HN 0.538 nan 8.240 nan 0.000 0.467 431 A N 2.485 125.163 122.820 -0.235 0.000 1.877 431 A HA -0.077 4.311 4.320 0.113 0.000 0.216 431 A C 2.590 180.097 177.584 -0.127 0.000 1.186 431 A CA 1.083 53.035 52.037 -0.142 0.000 0.620 431 A CB -0.472 18.476 19.000 -0.086 0.000 0.822 431 A HN 0.328 nan 8.150 nan 0.000 0.443 432 R N -0.507 119.921 120.500 -0.119 0.000 2.096 432 R HA -0.093 4.315 4.340 0.113 0.000 0.235 432 R C 2.255 178.452 176.300 -0.171 0.000 1.127 432 R CA 1.443 57.495 56.100 -0.080 0.000 0.968 432 R CB -0.828 29.468 30.300 -0.006 0.000 0.861 432 R HN 0.701 nan 8.270 nan 0.000 0.440 433 R N 0.795 120.996 120.500 -0.498 0.000 2.091 433 R HA -0.069 4.339 4.340 0.113 0.000 0.238 433 R C 1.634 177.744 176.300 -0.318 0.000 1.136 433 R CA 1.678 57.272 56.100 -0.844 0.000 0.959 433 R CB -0.167 29.434 30.300 -1.166 0.000 0.856 433 R HN 0.190 nan 8.270 nan 0.000 0.437 434 A N -0.455 122.243 122.820 -0.204 0.000 2.238 434 A HA 0.221 4.609 4.320 0.113 0.000 0.208 434 A C 1.206 178.795 177.584 0.008 0.000 1.177 434 A CA 0.661 52.651 52.037 -0.080 0.000 0.804 434 A CB -0.181 18.773 19.000 -0.076 0.000 0.823 434 A HN 0.607 nan 8.150 nan 0.000 0.482 435 G N -0.771 108.056 108.800 0.045 0.000 2.143 435 G HA2 -0.225 3.803 3.960 0.113 0.000 0.248 435 G HA3 -0.225 3.803 3.960 0.113 0.000 0.248 435 G C 0.022 174.981 174.900 0.098 0.000 0.991 435 G CA 0.273 45.486 45.100 0.189 0.000 0.689 435 G HN 0.495 nan 8.290 nan 0.000 0.522 436 I N 1.365 121.938 120.570 0.006 0.000 2.301 436 I HA 0.451 4.689 4.170 0.113 0.000 0.292 436 I C 0.851 176.935 176.117 -0.055 0.000 1.046 436 I CA -0.914 60.378 61.300 -0.013 0.000 1.282 436 I CB 1.203 39.197 38.000 -0.010 0.000 1.409 436 I HN 0.170 nan 8.210 nan 0.000 0.484 437 V N 5.362 125.216 119.914 -0.099 0.000 2.769 437 V HA 0.731 4.919 4.120 0.113 0.000 0.312 437 V C -2.397 173.669 176.094 -0.047 0.000 1.058 437 V CA -1.867 60.364 62.300 -0.114 0.000 0.952 437 V CB 1.294 32.895 31.823 -0.370 0.000 1.019 437 V HN 0.493 nan 8.190 nan 0.000 0.445 438 P HA 0.506 nan 4.420 nan 0.000 0.278 438 P C -2.855 174.446 177.300 0.001 0.000 1.266 438 P CA -1.803 61.313 63.100 0.026 0.000 0.807 438 P CB -0.229 31.515 31.700 0.074 0.000 1.094 439 P HA 0.014 nan 4.420 nan 0.000 0.266 439 P C 0.302 177.628 177.300 0.043 0.000 1.193 439 P CA 0.250 63.383 63.100 0.054 0.000 0.770 439 P CB 0.138 31.901 31.700 0.105 0.000 0.836 440 S N 2.540 118.238 115.700 -0.003 0.000 2.579 440 S HA 0.144 4.682 4.470 0.113 0.000 0.275 440 S C 0.732 175.369 174.600 0.061 0.000 1.345 440 S CA -0.462 57.704 58.200 -0.056 0.000 1.031 440 S CB -0.089 63.040 63.200 -0.120 0.000 0.892 440 S HN 0.706 nan 8.310 nan 0.000 0.529 441 W N 2.510 123.777 121.300 -0.054 0.000 2.873 441 W HA 0.543 5.269 4.660 0.109 0.000 0.282 441 W C -0.043 176.454 176.519 -0.036 0.000 1.118 441 W CA 0.089 57.412 57.345 -0.036 0.000 1.480 441 W CB -0.541 28.896 29.460 -0.038 0.000 0.954 441 W HN 0.752 nan 8.180 nan 0.000 0.591 442 A N 2.743 125.182 122.820 -0.635 0.000 2.354 442 A HA 0.587 4.975 4.320 0.113 0.000 0.321 442 A C -0.598 176.786 177.584 -0.333 0.000 1.125 442 A CA -0.602 51.059 52.037 -0.626 0.000 0.799 442 A CB 1.006 19.243 19.000 -1.271 0.000 1.293 442 A HN 0.259 nan 8.150 nan 0.000 0.452 443 N N -0.847 117.731 118.700 -0.202 0.000 2.459 443 N HA 0.335 5.143 4.740 0.113 0.000 0.288 443 N C 0.846 176.277 175.510 -0.131 0.000 1.186 443 N CA -0.034 52.932 53.050 -0.140 0.000 0.917 443 N CB 0.839 39.282 38.487 -0.073 0.000 1.219 443 N HN 0.535 nan 8.380 nan 0.000 0.525 444 S N 0.058 115.701 115.700 -0.096 0.000 2.389 444 S HA -0.338 4.200 4.470 0.113 0.000 0.231 444 S C 1.710 176.282 174.600 -0.047 0.000 1.052 444 S CA 1.879 60.036 58.200 -0.072 0.000 1.053 444 S CB -1.417 61.755 63.200 -0.048 0.000 0.886 444 S HN 0.811 nan 8.310 nan 0.000 0.456 445 S N 2.645 118.327 115.700 -0.029 0.000 2.423 445 S HA 0.207 4.745 4.470 0.113 0.000 0.231 445 S C 1.897 176.512 174.600 0.026 0.000 1.014 445 S CA 0.645 58.844 58.200 -0.001 0.000 0.965 445 S CB -0.855 62.349 63.200 0.006 0.000 0.785 445 S HN 0.880 nan 8.310 nan 0.000 0.495 446 A N 1.509 124.341 122.820 0.019 0.000 2.259 446 A HA 0.114 4.502 4.320 0.113 0.000 0.212 446 A C 2.089 179.768 177.584 0.158 0.000 1.178 446 A CA 1.174 53.271 52.037 0.100 0.000 0.734 446 A CB -0.802 18.221 19.000 0.038 0.000 0.774 446 A HN 0.862 nan 8.150 nan 0.000 0.481 447 S N -1.397 114.338 115.700 0.057 0.000 2.603 447 S HA 0.102 4.640 4.470 0.113 0.000 0.232 447 S C 0.640 175.249 174.600 0.014 0.000 1.016 447 S CA 0.371 58.593 58.200 0.035 0.000 0.976 447 S CB -0.734 62.460 63.200 -0.010 0.000 0.921 447 S HN 0.567 nan 8.310 nan 0.000 0.516 448 T N 1.513 116.083 114.554 0.026 0.000 2.761 448 T HA 0.624 5.042 4.350 0.113 0.000 0.296 448 T C -0.116 174.598 174.700 0.022 0.000 0.934 448 T CA -0.587 61.524 62.100 0.018 0.000 1.091 448 T CB 0.123 69.003 68.868 0.020 0.000 0.896 448 T HN 0.286 nan 8.240 nan 0.000 0.515 449 I N 5.137 125.715 120.570 0.013 0.000 2.331 449 I HA 0.327 4.565 4.170 0.113 0.000 0.292 449 I C -1.855 174.281 176.117 0.031 0.000 0.998 449 I CA -2.530 58.782 61.300 0.020 0.000 1.267 449 I CB 0.900 38.911 38.000 0.017 0.000 1.386 449 I HN 0.453 nan 8.210 nan 0.000 0.476 450 P HA 0.090 nan 4.420 nan 0.000 0.268 450 P C 0.419 177.748 177.300 0.048 0.000 1.208 450 P CA 0.003 63.131 63.100 0.045 0.000 0.777 450 P CB 0.629 32.362 31.700 0.056 0.000 0.875 451 S N -0.472 115.254 115.700 0.043 0.000 2.345 451 S HA -0.038 4.500 4.470 0.113 0.000 0.220 451 S C 0.938 175.568 174.600 0.050 0.000 1.031 451 S CA 1.576 59.801 58.200 0.041 0.000 0.996 451 S CB -0.554 62.666 63.200 0.034 0.000 0.882 451 S HN 0.795 nan 8.310 nan 0.000 0.445 452 T N -0.752 113.834 114.554 0.053 0.000 2.932 452 T HA 0.709 5.127 4.350 0.113 0.000 0.289 452 T C -0.672 174.074 174.700 0.076 0.000 1.039 452 T CA -0.979 61.157 62.100 0.061 0.000 1.024 452 T CB 1.484 70.382 68.868 0.050 0.000 1.090 452 T HN 0.206 nan 8.240 nan 0.000 0.496 453 c N 2.167 120.822 118.600 0.091 0.000 2.547 453 c HA 0.905 5.543 4.570 0.113 0.000 0.313 453 c C 0.284 174.445 174.090 0.119 0.000 1.191 453 c CA -0.841 55.560 56.329 0.119 0.000 1.474 453 c CB 1.049 43.652 42.510 0.155 0.000 2.081 453 c HN 1.168 nan 8.230 nan 0.000 0.476 454 S N 0.726 116.508 115.700 0.137 0.000 2.599 454 S HA 0.745 5.283 4.470 0.113 0.000 0.294 454 S C 0.099 174.807 174.600 0.180 0.000 1.094 454 S CA -0.227 58.041 58.200 0.114 0.000 0.931 454 S CB 1.555 64.807 63.200 0.085 0.000 1.093 454 S HN 1.208 nan 8.310 nan 0.000 0.488 455 G N 0.423 109.266 108.800 0.071 0.000 3.455 455 G HA2 0.478 4.506 3.960 0.113 0.000 0.250 455 G HA3 0.478 4.506 3.960 0.113 0.000 0.250 455 G C 0.399 175.330 174.900 0.051 0.000 1.071 455 G CA -0.226 44.860 45.100 -0.024 0.000 1.812 455 G HN 1.160 nan 8.290 nan 0.000 0.643 456 A N 1.155 124.141 122.820 0.275 0.000 2.491 456 A HA 0.570 4.958 4.320 0.113 0.000 0.261 456 A C 0.838 178.629 177.584 0.344 0.000 1.101 456 A CA 0.346 52.521 52.037 0.230 0.000 0.772 456 A CB 0.148 19.270 19.000 0.204 0.000 1.043 456 A HN 1.077 nan 8.150 nan 0.000 0.501 457 S N 1.175 116.965 115.700 0.150 0.000 2.667 457 S HA 0.792 5.330 4.470 0.113 0.000 0.292 457 S C -0.894 173.742 174.600 0.060 0.000 1.126 457 S CA -0.716 57.568 58.200 0.141 0.000 0.881 457 S CB 1.743 64.898 63.200 -0.076 0.000 1.132 457 S HN 0.897 nan 8.310 nan 0.000 0.492 458 V N 1.629 121.571 119.914 0.046 0.000 2.577 458 V HA 0.414 4.602 4.120 0.113 0.000 0.303 458 V C -0.478 175.591 176.094 -0.043 0.000 1.042 458 V CA -0.796 61.508 62.300 0.005 0.000 0.872 458 V CB 1.806 33.644 31.823 0.025 0.000 0.998 458 V HN 0.858 nan 8.190 nan 0.000 0.423 459 V N 4.890 124.767 119.914 -0.062 0.000 2.479 459 V HA 0.436 4.624 4.120 0.113 0.000 0.281 459 V C 1.089 177.149 176.094 -0.056 0.000 1.031 459 V CA 0.706 62.964 62.300 -0.070 0.000 1.038 459 V CB 0.875 32.667 31.823 -0.052 0.000 0.981 459 V HN 0.989 nan 8.190 nan 0.000 0.478 460 G N 3.836 112.598 108.800 -0.063 0.000 2.557 460 G HA2 0.596 4.624 3.960 0.113 0.000 0.302 460 G HA3 0.596 4.624 3.960 0.113 0.000 0.302 460 G C -0.557 174.155 174.900 -0.312 0.000 1.311 460 G CA -0.511 44.459 45.100 -0.216 0.000 1.030 460 G HN 0.644 nan 8.290 nan 0.000 0.509 461 S N -1.150 114.265 115.700 -0.475 0.000 2.513 461 S HA 0.627 5.165 4.470 0.113 0.000 0.299 461 S C -1.653 172.601 174.600 -0.578 0.000 1.087 461 S CA -0.241 57.758 58.200 -0.337 0.000 1.012 461 S CB 1.286 64.403 63.200 -0.138 0.000 1.044 461 S HN 0.428 nan 8.310 nan 0.000 0.485 462 Y N 1.007 121.332 120.300 0.041 0.000 2.425 462 Y HA 0.607 5.224 4.550 0.112 0.000 0.344 462 Y C 0.345 176.257 175.900 0.020 0.000 0.969 462 Y CA -0.743 57.378 58.100 0.036 0.000 1.052 462 Y CB 1.975 40.471 38.460 0.061 0.000 1.215 462 Y HN 0.687 nan 8.280 nan 0.000 0.451 463 S N 2.042 117.819 115.700 0.129 0.000 2.549 463 S HA 0.570 5.108 4.470 0.113 0.000 0.280 463 S C -0.999 173.631 174.600 0.050 0.000 1.109 463 S CA -1.302 56.943 58.200 0.075 0.000 0.905 463 S CB 1.924 65.147 63.200 0.038 0.000 1.081 463 S HN 0.733 nan 8.310 nan 0.000 0.477 464 R N 1.692 122.211 120.500 0.033 0.000 2.458 464 R HA 0.253 4.661 4.340 0.113 0.000 0.303 464 R C -2.388 173.906 176.300 -0.010 0.000 1.013 464 R CA -1.108 54.996 56.100 0.006 0.000 1.026 464 R CB -0.223 30.078 30.300 0.002 0.000 0.948 464 R HN 0.446 nan 8.270 nan 0.000 0.417 465 P HA 0.034 nan 4.420 nan 0.000 0.272 465 P C 0.067 177.342 177.300 -0.042 0.000 1.223 465 P CA -0.086 62.990 63.100 -0.041 0.000 0.784 465 P CB 1.190 32.852 31.700 -0.064 0.000 0.923 466 T N -2.432 112.098 114.554 -0.041 0.000 2.989 466 T HA 0.315 4.733 4.350 0.113 0.000 0.250 466 T C 0.797 175.466 174.700 -0.052 0.000 0.981 466 T CA 0.063 62.140 62.100 -0.039 0.000 0.980 466 T CB -0.396 68.458 68.868 -0.024 0.000 1.133 466 T HN 0.398 nan 8.240 nan 0.000 0.489 467 A N 2.628 125.409 122.820 -0.065 0.000 2.491 467 A HA 0.503 4.891 4.320 0.113 0.000 0.261 467 A C 1.138 178.651 177.584 -0.119 0.000 1.101 467 A CA 0.342 52.323 52.037 -0.093 0.000 0.772 467 A CB -0.259 18.673 19.000 -0.114 0.000 1.043 467 A HN 0.656 nan 8.150 nan 0.000 0.501 468 T N -0.918 113.575 114.554 -0.102 0.000 3.200 468 T HA 0.449 4.867 4.350 0.113 0.000 0.284 468 T C 0.130 174.795 174.700 -0.058 0.000 1.009 468 T CA 0.327 62.378 62.100 -0.082 0.000 0.907 468 T CB -0.765 68.071 68.868 -0.054 0.000 1.120 468 T HN 1.275 nan 8.240 nan 0.000 0.534 469 S N 0.210 115.845 115.700 -0.108 0.000 2.541 469 S HA 0.785 5.323 4.470 0.113 0.000 0.271 469 S C -1.320 173.203 174.600 -0.128 0.000 1.133 469 S CA -0.909 57.275 58.200 -0.027 0.000 0.876 469 S CB 1.128 64.330 63.200 0.004 0.000 1.105 469 S HN 0.137 nan 8.310 nan 0.000 0.470 470 F N 1.465 121.416 119.950 0.002 0.000 2.425 470 F HA 0.629 5.224 4.527 0.113 0.000 0.331 470 F C -2.063 173.747 175.800 0.016 0.000 1.085 470 F CA -1.885 56.125 58.000 0.018 0.000 1.028 470 F CB 0.749 39.763 39.000 0.023 0.000 1.177 470 F HN 0.393 nan 8.300 nan 0.000 0.487 471 P HA 0.114 nan 4.420 nan 0.000 0.269 471 P C -2.520 174.853 177.300 0.122 0.000 1.209 471 P CA -0.812 62.362 63.100 0.122 0.000 0.776 471 P CB -0.240 31.522 31.700 0.102 0.000 0.876 472 P HA 0.012 nan 4.420 nan 0.000 0.274 472 P C -0.469 176.882 177.300 0.085 0.000 1.231 472 P CA -0.005 63.147 63.100 0.086 0.000 0.790 472 P CB 0.378 32.122 31.700 0.073 0.000 0.951 473 S N -0.172 115.585 115.700 0.095 0.000 3.628 473 S HA -0.170 4.369 4.470 0.113 0.000 0.373 473 S C 0.152 174.822 174.600 0.117 0.000 0.968 473 S CA 0.535 58.808 58.200 0.121 0.000 1.215 473 S CB -1.889 61.378 63.200 0.111 0.000 0.912 473 S HN 0.590 nan 8.310 nan 0.000 0.495 474 Q N 1.777 121.617 119.800 0.067 0.000 2.837 474 Q HA 0.141 4.549 4.340 0.113 0.000 0.235 474 Q C 0.973 177.126 176.000 0.255 0.000 1.348 474 Q CA 0.063 55.788 55.803 -0.130 0.000 0.990 474 Q CB -0.162 28.305 28.738 -0.452 0.000 1.570 474 Q HN 0.718 nan 8.270 nan 0.000 0.575 475 T N -0.968 113.747 114.554 0.268 0.000 2.849 475 T HA 0.415 4.833 4.350 0.113 0.000 0.284 475 T C -2.082 172.713 174.700 0.159 0.000 1.004 475 T CA -1.744 60.400 62.100 0.072 0.000 1.021 475 T CB 0.844 69.706 68.868 -0.010 0.000 1.013 475 T HN 0.183 nan 8.240 nan 0.000 0.527 476 P HA 0.199 nan 4.420 nan 0.000 0.274 476 P C -0.274 176.976 177.300 -0.084 0.000 1.237 476 P CA -0.712 62.372 63.100 -0.026 0.000 0.793 476 P CB 0.551 32.241 31.700 -0.017 0.000 0.977 477 K N 1.558 121.869 120.400 -0.148 0.000 2.258 477 K HA 0.315 4.703 4.320 0.113 0.000 0.264 477 K C -2.331 174.214 176.600 -0.092 0.000 1.007 477 K CA -1.676 54.528 56.287 -0.138 0.000 0.941 477 K CB -1.053 31.334 32.500 -0.189 0.000 0.966 477 K HN 0.236 nan 8.250 nan 0.000 0.480 478 P HA -0.023 nan 4.420 nan 0.000 0.264 478 P C 0.517 177.790 177.300 -0.046 0.000 1.183 478 P CA 1.070 64.141 63.100 -0.048 0.000 0.763 478 P CB 0.548 32.224 31.700 -0.041 0.000 0.807 479 G N 0.912 109.695 108.800 -0.029 0.000 2.195 479 G HA2 -0.190 3.838 3.960 0.113 0.000 0.224 479 G HA3 -0.190 3.838 3.960 0.113 0.000 0.224 479 G C -0.034 174.858 174.900 -0.014 0.000 0.990 479 G CA -0.219 44.868 45.100 -0.021 0.000 0.639 479 G HN 0.539 nan 8.290 nan 0.000 0.514 480 V N 2.655 122.560 119.914 -0.016 0.000 2.461 480 V HA 0.453 4.641 4.120 0.113 0.000 0.275 480 V C -1.435 174.681 176.094 0.037 0.000 1.047 480 V CA -1.391 60.914 62.300 0.009 0.000 0.955 480 V CB 1.209 33.036 31.823 0.006 0.000 0.988 480 V HN 0.161 nan 8.190 nan 0.000 0.471 481 P HA 0.080 nan 4.420 nan 0.000 0.260 481 P C -0.460 176.893 177.300 0.088 0.000 1.172 481 P CA 0.655 63.789 63.100 0.057 0.000 0.760 481 P CB 0.402 32.133 31.700 0.052 0.000 0.773 482 S N 1.951 117.706 115.700 0.092 0.000 2.541 482 S HA 0.820 5.358 4.470 0.113 0.000 0.280 482 S C -0.371 174.310 174.600 0.135 0.000 1.112 482 S CA -0.312 57.979 58.200 0.151 0.000 0.925 482 S CB 1.294 64.559 63.200 0.108 0.000 1.067 482 S HN 0.492 nan 8.310 nan 0.000 0.479 483 G N 1.102 110.006 108.800 0.173 0.000 2.949 483 G HA2 0.666 4.694 3.960 0.113 0.000 0.285 483 G HA3 0.666 4.694 3.960 0.113 0.000 0.285 483 G C -0.376 174.602 174.900 0.129 0.000 1.395 483 G CA -0.263 44.907 45.100 0.117 0.000 0.901 483 G HN 0.973 nan 8.290 nan 0.000 0.519 484 T N -0.465 114.139 114.554 0.083 0.000 2.904 484 T HA 0.580 4.998 4.350 0.113 0.000 0.290 484 T C -2.455 172.279 174.700 0.058 0.000 1.018 484 T CA -1.097 61.045 62.100 0.070 0.000 1.075 484 T CB 1.230 70.122 68.868 0.039 0.000 0.986 484 T HN 0.242 nan 8.240 nan 0.000 0.523 485 P HA 0.106 nan 4.420 nan 0.000 0.269 485 P C -0.757 176.570 177.300 0.046 0.000 1.209 485 P CA -0.442 62.684 63.100 0.043 0.000 0.776 485 P CB 0.044 31.766 31.700 0.036 0.000 0.876 486 Y N 2.220 122.495 120.300 -0.041 0.000 2.712 486 Y HA 0.100 4.718 4.550 0.114 0.000 0.333 486 Y C 0.011 175.890 175.900 -0.035 0.000 1.225 486 Y CA 1.042 59.117 58.100 -0.043 0.000 1.499 486 Y CB 0.080 38.504 38.460 -0.060 0.000 1.288 486 Y HN 0.248 nan 8.280 nan 0.000 0.575 487 T N 8.948 122.980 114.554 -0.870 0.000 2.812 487 T HA 0.360 4.778 4.350 0.113 0.000 0.282 487 T C -2.553 171.546 174.700 -1.001 0.000 0.990 487 T CA -1.361 60.338 62.100 -0.669 0.000 0.960 487 T CB 1.462 70.129 68.868 -0.334 0.000 0.948 487 T HN 0.439 nan 8.240 nan 0.000 0.438 488 P HA 0.190 nan 4.420 nan 0.000 0.270 488 P C -0.133 177.054 177.300 -0.189 0.000 1.223 488 P CA -0.558 62.407 63.100 -0.225 0.000 0.785 488 P CB 0.451 32.139 31.700 -0.020 0.000 0.923 489 L N 2.775 123.941 121.223 -0.095 0.000 2.483 489 L HA 0.149 4.557 4.340 0.113 0.000 0.276 489 L C -1.532 175.296 176.870 -0.071 0.000 1.213 489 L CA -1.404 53.388 54.840 -0.080 0.000 0.843 489 L CB -0.473 41.555 42.059 -0.053 0.000 1.107 489 L HN 0.332 nan 8.230 nan 0.000 0.487 490 P HA 0.248 nan 4.420 nan 0.000 0.278 490 P C -1.176 176.095 177.300 -0.049 0.000 1.238 490 P CA -0.456 62.609 63.100 -0.057 0.000 0.794 490 P CB 1.184 32.852 31.700 -0.053 0.000 0.955 491 c N 0.447 119.018 118.600 -0.048 0.000 3.154 491 c HA 0.777 5.415 4.570 0.113 0.000 0.312 491 c C 0.598 174.662 174.090 -0.043 0.000 1.349 491 c CA -0.747 55.555 56.329 -0.044 0.000 1.518 491 c CB 1.452 43.933 42.510 -0.049 0.000 1.934 491 c HN 0.738 nan 8.230 nan 0.000 0.462 492 A N 0.666 123.462 122.820 -0.040 0.000 2.448 492 A HA 0.508 4.896 4.320 0.113 0.000 0.239 492 A C 0.282 177.837 177.584 -0.048 0.000 1.080 492 A CA 0.400 52.413 52.037 -0.039 0.000 0.779 492 A CB -0.195 18.785 19.000 -0.034 0.000 1.026 492 A HN 0.871 nan 8.150 nan 0.000 0.499 493 T N 3.965 118.491 114.554 -0.048 0.000 2.780 493 T HA 0.494 4.912 4.350 0.113 0.000 0.294 493 T C -2.046 172.621 174.700 -0.055 0.000 0.949 493 T CA -0.503 61.562 62.100 -0.058 0.000 1.074 493 T CB 0.641 69.476 68.868 -0.056 0.000 0.910 493 T HN 0.637 nan 8.240 nan 0.000 0.501 494 P HA 0.233 nan 4.420 nan 0.000 0.276 494 P C 0.764 178.033 177.300 -0.052 0.000 1.244 494 P CA -0.452 62.615 63.100 -0.055 0.000 0.801 494 P CB 0.800 32.462 31.700 -0.063 0.000 1.006 495 T N -3.317 111.212 114.554 -0.041 0.000 3.037 495 T HA 0.140 4.558 4.350 0.113 0.000 0.251 495 T C 0.756 175.435 174.700 -0.035 0.000 1.079 495 T CA 0.127 62.205 62.100 -0.036 0.000 1.067 495 T CB -0.116 68.735 68.868 -0.028 0.000 0.948 495 T HN 0.394 nan 8.240 nan 0.000 0.496 496 S N 0.103 115.782 115.700 -0.034 0.000 2.536 496 S HA 0.694 5.232 4.470 0.113 0.000 0.287 496 S C -1.403 173.176 174.600 -0.035 0.000 1.101 496 S CA -0.584 57.599 58.200 -0.029 0.000 0.950 496 S CB 1.859 65.047 63.200 -0.021 0.000 1.056 496 S HN 0.216 nan 8.310 nan 0.000 0.481 497 V N 3.257 123.152 119.914 -0.030 0.000 2.531 497 V HA 0.707 4.895 4.120 0.113 0.000 0.301 497 V C 0.211 176.290 176.094 -0.024 0.000 1.034 497 V CA -0.922 61.356 62.300 -0.035 0.000 0.865 497 V CB 1.445 33.243 31.823 -0.043 0.000 0.995 497 V HN 1.071 nan 8.190 nan 0.000 0.424 498 A N 4.757 127.560 122.820 -0.030 0.000 2.396 498 A HA 0.580 4.968 4.320 0.113 0.000 0.279 498 A C -0.260 177.286 177.584 -0.063 0.000 1.165 498 A CA -0.101 51.918 52.037 -0.031 0.000 0.824 498 A CB 0.105 19.090 19.000 -0.026 0.000 1.100 498 A HN 0.744 nan 8.150 nan 0.000 0.516 499 V N 3.954 123.812 119.914 -0.093 0.000 2.328 499 V HA 0.254 4.442 4.120 0.113 0.000 0.278 499 V C 0.378 176.279 176.094 -0.321 0.000 1.021 499 V CA -0.277 61.873 62.300 -0.250 0.000 0.838 499 V CB 1.246 32.862 31.823 -0.346 0.000 0.999 499 V HN 0.858 nan 8.190 nan 0.000 0.447 500 T N 6.459 120.838 114.554 -0.292 0.000 2.727 500 T HA 0.460 4.878 4.350 0.113 0.000 0.298 500 T C -0.198 174.354 174.700 -0.247 0.000 0.942 500 T CA 0.052 62.049 62.100 -0.171 0.000 0.997 500 T CB -0.210 68.587 68.868 -0.118 0.000 0.917 500 T HN 0.290 nan 8.240 nan 0.000 0.487 501 F N 3.522 123.462 119.950 -0.017 0.000 2.467 501 F HA 0.203 4.798 4.527 0.113 0.000 0.362 501 F C 1.257 177.151 175.800 0.156 0.000 1.090 501 F CA -0.328 57.701 58.000 0.048 0.000 1.202 501 F CB 0.458 39.489 39.000 0.051 0.000 1.113 501 F HN 0.516 nan 8.300 nan 0.000 0.541 502 H N 3.488 122.671 119.070 0.189 0.000 2.953 502 H HA 0.290 4.914 4.556 0.113 0.000 0.290 502 H C -1.368 174.022 175.328 0.103 0.000 1.113 502 H CA -0.608 55.509 56.048 0.115 0.000 1.454 502 H CB 0.956 30.736 29.762 0.031 0.000 1.525 502 H HN 0.680 nan 8.280 nan 0.000 0.505 503 E N 5.144 125.363 120.200 0.033 0.000 2.176 503 E HA 0.326 4.744 4.350 0.113 0.000 0.267 503 E C -1.240 175.341 176.600 -0.032 0.000 0.893 503 E CA -0.707 55.633 56.400 -0.099 0.000 0.761 503 E CB 1.122 30.512 29.700 -0.516 0.000 1.133 503 E HN 0.564 nan 8.360 nan 0.000 0.409 504 L N 4.924 126.147 121.223 -0.000 0.000 2.257 504 L HA 0.606 5.014 4.340 0.113 0.000 0.290 504 L C -0.812 176.100 176.870 0.071 0.000 1.044 504 L CA -0.927 53.913 54.840 -0.000 0.000 0.810 504 L CB 1.315 43.361 42.059 -0.022 0.000 1.193 504 L HN 0.407 nan 8.230 nan 0.000 0.425 505 V N 2.877 122.856 119.914 0.109 0.000 2.737 505 V HA 0.270 4.458 4.120 0.113 0.000 0.298 505 V C -0.429 175.732 176.094 0.112 0.000 1.163 505 V CA -0.305 62.019 62.300 0.041 0.000 0.925 505 V CB 2.397 34.157 31.823 -0.106 0.000 1.037 505 V HN 0.711 nan 8.190 nan 0.000 0.433 506 S N 5.035 120.747 115.700 0.020 0.000 2.510 506 S HA 0.637 5.175 4.470 0.113 0.000 0.279 506 S C 0.172 174.804 174.600 0.053 0.000 1.284 506 S CA 0.503 58.773 58.200 0.118 0.000 1.059 506 S CB 0.134 63.358 63.200 0.040 0.000 0.901 506 S HN 1.300 nan 8.310 nan 0.000 0.491 507 T N 2.744 117.425 114.554 0.210 0.000 2.916 507 T HA 0.611 5.029 4.350 0.113 0.000 0.292 507 T C -0.770 173.956 174.700 0.044 0.000 1.064 507 T CA -0.996 61.123 62.100 0.032 0.000 1.011 507 T CB 1.318 70.212 68.868 0.043 0.000 1.152 507 T HN 0.617 nan 8.240 nan 0.000 0.510 508 Q N 0.023 119.821 119.800 -0.003 0.000 2.241 508 Q HA 0.552 4.960 4.340 0.113 0.000 0.262 508 Q C -0.823 175.211 176.000 0.057 0.000 1.014 508 Q CA -1.026 54.804 55.803 0.045 0.000 0.885 508 Q CB 1.679 30.440 28.738 0.038 0.000 1.311 508 Q HN 0.680 nan 8.270 nan 0.000 0.461 509 F N 0.833 120.765 119.950 -0.031 0.000 2.623 509 F HA 0.163 4.758 4.527 0.113 0.000 0.383 509 F C 1.294 177.079 175.800 -0.025 0.000 1.077 509 F CA 2.147 60.128 58.000 -0.031 0.000 1.268 509 F CB 0.134 39.121 39.000 -0.022 0.000 1.053 509 F HN 0.769 nan 8.300 nan 0.000 0.571 510 G N 3.643 111.982 108.800 -0.769 0.000 2.176 510 G HA2 -0.265 3.763 3.960 0.113 0.000 0.253 510 G HA3 -0.265 3.763 3.960 0.113 0.000 0.253 510 G C 0.067 174.808 174.900 -0.265 0.000 0.979 510 G CA 0.174 44.941 45.100 -0.556 0.000 0.641 510 G HN 0.736 nan 8.290 nan 0.000 0.530 511 Q N 0.362 120.045 119.800 -0.196 0.000 2.222 511 Q HA 0.641 5.049 4.340 0.113 0.000 0.252 511 Q C -0.521 175.372 176.000 -0.180 0.000 0.926 511 Q CA -0.012 55.685 55.803 -0.177 0.000 0.899 511 Q CB 1.565 30.196 28.738 -0.178 0.000 1.250 511 Q HN 0.188 nan 8.270 nan 0.000 0.441 512 T N 1.002 115.391 114.554 -0.276 0.000 2.861 512 T HA 0.407 4.825 4.350 0.113 0.000 0.287 512 T C -0.716 173.611 174.700 -0.622 0.000 1.003 512 T CA -0.566 61.307 62.100 -0.379 0.000 0.977 512 T CB 1.406 70.172 68.868 -0.170 0.000 0.996 512 T HN 0.247 nan 8.240 nan 0.000 0.448 513 V N 4.158 123.409 119.914 -1.104 0.000 2.481 513 V HA 0.520 4.708 4.120 0.113 0.000 0.286 513 V C 0.060 175.941 176.094 -0.355 0.000 1.042 513 V CA -0.549 61.281 62.300 -0.783 0.000 0.928 513 V CB 1.321 32.456 31.823 -1.148 0.000 0.986 513 V HN 0.744 nan 8.190 nan 0.000 0.462 514 K N 2.738 123.029 120.400 -0.182 0.000 2.444 514 K HA 0.762 5.150 4.320 0.113 0.000 0.252 514 K C -1.476 175.076 176.600 -0.081 0.000 0.993 514 K CA -0.899 55.319 56.287 -0.116 0.000 0.847 514 K CB 2.852 35.264 32.500 -0.147 0.000 1.340 514 K HN 0.389 nan 8.250 nan 0.000 0.446 515 V N 0.947 120.745 119.914 -0.194 0.000 2.417 515 V HA 0.721 4.909 4.120 0.113 0.000 0.291 515 V C -1.242 174.656 176.094 -0.327 0.000 1.024 515 V CA -0.307 61.759 62.300 -0.390 0.000 0.861 515 V CB 1.138 32.445 31.823 -0.859 0.000 0.985 515 V HN 0.892 nan 8.190 nan 0.000 0.436 516 A N 4.671 127.364 122.820 -0.211 0.000 2.355 516 A HA 1.048 5.436 4.320 0.113 0.000 0.324 516 A C 0.088 177.520 177.584 -0.254 0.000 1.117 516 A CA 0.080 52.057 52.037 -0.100 0.000 0.785 516 A CB 1.777 20.868 19.000 0.151 0.000 1.254 516 A HN 1.789 nan 8.150 nan 0.000 0.453 517 G N 0.092 108.513 108.800 -0.632 0.000 2.550 517 G HA2 0.411 4.439 3.960 0.113 0.000 0.293 517 G HA3 0.411 4.439 3.960 0.113 0.000 0.293 517 G C 0.077 174.177 174.900 -1.335 0.000 1.402 517 G CA 0.106 44.476 45.100 -1.217 0.000 0.784 517 G HN 0.853 nan 8.290 nan 0.000 0.482 518 N N -0.246 117.786 118.700 -1.113 0.000 2.354 518 N HA 0.167 4.975 4.740 0.113 0.000 0.179 518 N C 1.122 176.462 175.510 -0.284 0.000 1.021 518 N CA 0.978 53.647 53.050 -0.635 0.000 0.887 518 N CB -0.397 38.013 38.487 -0.128 0.000 0.974 518 N HN 0.861 nan 8.380 nan 0.000 0.437 519 A N 0.214 122.904 122.820 -0.217 0.000 2.425 519 A HA 0.577 4.965 4.320 0.113 0.000 0.242 519 A C 1.558 179.075 177.584 -0.112 0.000 1.077 519 A CA 0.223 52.193 52.037 -0.111 0.000 0.781 519 A CB 0.045 19.008 19.000 -0.062 0.000 1.020 519 A HN 0.434 nan 8.150 nan 0.000 0.494 520 A N 1.815 124.597 122.820 -0.063 0.000 1.908 520 A HA 0.098 4.486 4.320 0.113 0.000 0.218 520 A C 2.326 179.878 177.584 -0.053 0.000 1.181 520 A CA 2.374 54.382 52.037 -0.049 0.000 0.627 520 A CB -1.035 17.949 19.000 -0.026 0.000 0.818 520 A HN 1.768 nan 8.150 nan 0.000 0.445 521 A N -0.779 122.012 122.820 -0.048 0.000 2.070 521 A HA 0.078 4.466 4.320 0.113 0.000 0.220 521 A C 1.913 179.453 177.584 -0.074 0.000 1.159 521 A CA 1.310 53.321 52.037 -0.043 0.000 0.656 521 A CB -0.414 18.574 19.000 -0.020 0.000 0.800 521 A HN 0.475 nan 8.150 nan 0.000 0.453 522 L N -1.849 119.304 121.223 -0.117 0.000 2.607 522 L HA 0.250 4.658 4.340 0.113 0.000 0.228 522 L C 1.570 178.334 176.870 -0.177 0.000 1.123 522 L CA 0.550 55.279 54.840 -0.186 0.000 0.890 522 L CB 0.125 42.024 42.059 -0.267 0.000 1.103 522 L HN 0.559 nan 8.230 nan 0.000 0.468 523 G N 0.503 109.228 108.800 -0.125 0.000 2.159 523 G HA2 -0.320 3.708 3.960 0.113 0.000 0.227 523 G HA3 -0.320 3.708 3.960 0.113 0.000 0.227 523 G C 0.468 175.336 174.900 -0.053 0.000 0.986 523 G CA 0.131 45.188 45.100 -0.072 0.000 0.651 523 G HN 0.436 nan 8.290 nan 0.000 0.523 524 N N -1.392 117.229 118.700 -0.132 0.000 2.727 524 N HA -0.246 4.562 4.740 0.113 0.000 0.249 524 N C 0.828 176.389 175.510 0.084 0.000 1.048 524 N CA 2.414 55.404 53.050 -0.100 0.000 0.714 524 N CB -1.902 36.587 38.487 0.004 0.000 0.959 524 N HN 1.516 nan 8.380 nan 0.000 0.544 525 W N -3.259 118.099 121.300 0.096 0.000 2.062 525 W HA -0.304 4.424 4.660 0.113 0.000 0.257 525 W C 0.697 177.334 176.519 0.198 0.000 1.024 525 W CA 0.419 57.868 57.345 0.175 0.000 0.471 525 W CB -2.027 27.508 29.460 0.125 0.000 2.039 525 W HN 0.439 nan 8.180 nan 0.000 1.321 526 S N 1.144 117.010 115.700 0.276 0.000 2.498 526 S HA 0.238 4.776 4.470 0.113 0.000 0.281 526 S C 1.451 176.136 174.600 0.141 0.000 1.265 526 S CA 0.728 59.042 58.200 0.191 0.000 1.071 526 S CB 0.957 64.221 63.200 0.105 0.000 0.894 526 S HN 0.264 nan 8.310 nan 0.000 0.491 527 T N 2.003 116.639 114.554 0.136 0.000 2.995 527 T HA -0.107 4.311 4.350 0.113 0.000 0.269 527 T C 1.953 176.643 174.700 -0.017 0.000 1.091 527 T CA 1.197 63.307 62.100 0.016 0.000 1.128 527 T CB -0.616 68.240 68.868 -0.020 0.000 0.891 527 T HN 0.714 nan 8.240 nan 0.000 0.492 528 S N 1.822 117.530 115.700 0.012 0.000 2.406 528 S HA 0.292 4.830 4.470 0.113 0.000 0.228 528 S C 2.187 176.781 174.600 -0.011 0.000 1.020 528 S CA 0.387 58.585 58.200 -0.003 0.000 0.965 528 S CB -0.573 62.633 63.200 0.010 0.000 0.798 528 S HN 0.696 nan 8.310 nan 0.000 0.488 529 A N 1.018 123.836 122.820 -0.003 0.000 2.308 529 A HA 0.759 5.147 4.320 0.113 0.000 0.217 529 A C 1.105 178.664 177.584 -0.042 0.000 1.216 529 A CA 0.156 52.183 52.037 -0.017 0.000 0.864 529 A CB -0.724 18.272 19.000 -0.007 0.000 0.902 529 A HN 0.763 nan 8.150 nan 0.000 0.499 530 A N -0.123 122.664 122.820 -0.054 0.000 2.507 530 A HA 0.433 4.821 4.320 0.113 0.000 0.235 530 A C 0.232 177.756 177.584 -0.099 0.000 1.070 530 A CA 0.069 52.048 52.037 -0.097 0.000 0.768 530 A CB 0.023 18.950 19.000 -0.122 0.000 1.011 530 A HN 0.470 nan 8.150 nan 0.000 0.502 531 V N 2.150 121.987 119.914 -0.129 0.000 2.432 531 V HA 0.429 4.617 4.120 0.113 0.000 0.271 531 V C 0.956 177.005 176.094 -0.075 0.000 1.046 531 V CA -0.044 62.198 62.300 -0.096 0.000 0.945 531 V CB 0.451 32.208 31.823 -0.111 0.000 0.992 531 V HN 1.086 nan 8.190 nan 0.000 0.471 532 A N 6.759 129.558 122.820 -0.035 0.000 2.440 532 A HA 0.589 4.977 4.320 0.113 0.000 0.251 532 A C -0.070 177.551 177.584 0.062 0.000 1.089 532 A CA -0.211 51.823 52.037 -0.005 0.000 0.779 532 A CB 0.076 19.082 19.000 0.009 0.000 1.022 532 A HN 0.813 nan 8.150 nan 0.000 0.492 533 L N 1.458 122.754 121.223 0.122 0.000 2.431 533 L HA 0.415 4.823 4.340 0.113 0.000 0.260 533 L C -0.256 176.853 176.870 0.398 0.000 1.098 533 L CA -0.953 54.044 54.840 0.260 0.000 0.800 533 L CB 0.720 42.980 42.059 0.335 0.000 1.210 533 L HN 0.586 nan 8.230 nan 0.000 0.465 534 D N -0.141 120.450 120.400 0.319 0.000 2.198 534 D HA 0.384 5.092 4.640 0.113 0.000 0.247 534 D C -0.086 176.151 176.300 -0.106 0.000 1.010 534 D CA -0.323 53.763 54.000 0.144 0.000 0.880 534 D CB 2.193 43.029 40.800 0.061 0.000 1.209 534 D HN 0.565 nan 8.370 nan 0.000 0.451 535 A N 1.627 124.156 122.820 -0.485 0.000 2.507 535 A HA 0.105 4.493 4.320 0.113 0.000 0.270 535 A C 1.684 179.065 177.584 -0.339 0.000 1.318 535 A CA -0.323 51.192 52.037 -0.870 0.000 0.924 535 A CB -0.218 17.970 19.000 -1.354 0.000 1.061 535 A HN 0.391 nan 8.150 nan 0.000 0.516 536 V N 0.479 120.296 119.914 -0.163 0.000 2.380 536 V HA -0.220 3.968 4.120 0.113 0.000 0.251 536 V C 1.297 177.392 176.094 0.003 0.000 1.063 536 V CA 2.586 64.857 62.300 -0.050 0.000 1.055 536 V CB -0.408 31.415 31.823 -0.000 0.000 0.657 536 V HN 0.673 nan 8.190 nan 0.000 0.455 537 N N -1.173 117.530 118.700 0.005 0.000 2.268 537 N HA 0.083 4.891 4.740 0.113 0.000 0.204 537 N C -0.159 175.389 175.510 0.063 0.000 1.124 537 N CA -0.131 52.968 53.050 0.083 0.000 0.838 537 N CB -0.049 38.516 38.487 0.130 0.000 0.994 537 N HN 0.677 nan 8.380 nan 0.000 0.489 538 Y N 1.902 122.101 120.300 -0.168 0.000 2.442 538 Y HA 0.328 4.947 4.550 0.114 0.000 0.330 538 Y C 0.031 175.893 175.900 -0.063 0.000 1.129 538 Y CA -0.617 57.356 58.100 -0.211 0.000 1.365 538 Y CB 0.466 38.660 38.460 -0.442 0.000 1.233 538 Y HN 0.062 nan 8.280 nan 0.000 0.529 539 A N 4.960 127.519 122.820 -0.435 0.000 2.475 539 A HA 0.320 4.708 4.320 0.113 0.000 0.301 539 A C 0.410 177.718 177.584 -0.460 0.000 1.059 539 A CA -0.653 51.248 52.037 -0.226 0.000 0.710 539 A CB 0.935 19.910 19.000 -0.042 0.000 1.288 539 A HN 0.802 nan 8.150 nan 0.000 0.408 540 D N 1.035 121.358 120.400 -0.129 0.000 2.172 540 D HA -0.216 4.492 4.640 0.113 0.000 0.196 540 D C 1.232 177.452 176.300 -0.134 0.000 0.999 540 D CA 2.298 56.261 54.000 -0.063 0.000 0.856 540 D CB -0.035 40.796 40.800 0.051 0.000 0.934 540 D HN 0.851 nan 8.370 nan 0.000 0.453 541 N N -1.269 117.358 118.700 -0.123 0.000 2.270 541 N HA -0.088 4.720 4.740 0.113 0.000 0.198 541 N C 0.267 175.696 175.510 -0.135 0.000 1.117 541 N CA -0.109 52.870 53.050 -0.118 0.000 0.845 541 N CB 0.376 38.803 38.487 -0.099 0.000 0.980 541 N HN 0.126 nan 8.380 nan 0.000 0.486 542 H N 1.103 119.987 119.070 -0.310 0.000 2.661 542 H HA 0.185 4.809 4.556 0.114 0.000 0.243 542 H C -2.930 172.168 175.328 -0.382 0.000 1.410 542 H CA -1.298 54.567 56.048 -0.304 0.000 1.509 542 H CB 1.666 31.245 29.762 -0.306 0.000 1.761 542 H HN 0.115 nan 8.280 nan 0.000 0.576 543 P HA 0.075 nan 4.420 nan 0.000 0.225 543 P C -0.155 176.939 177.300 -0.344 0.000 1.813 543 P CA -0.495 62.120 63.100 -0.809 0.000 1.013 543 P CB -0.056 31.439 31.700 -0.342 0.000 1.961 544 L N 2.201 123.184 121.223 -0.400 0.000 2.281 544 L HA 0.460 4.868 4.340 0.113 0.000 0.285 544 L C -0.932 175.900 176.870 -0.064 0.000 1.074 544 L CA -0.285 54.425 54.840 -0.216 0.000 0.817 544 L CB 0.044 41.939 42.059 -0.274 0.000 1.168 544 L HN 0.059 nan 8.230 nan 0.000 0.434 545 W N 6.173 127.444 121.300 -0.048 0.000 2.666 545 W HA 0.710 5.439 4.660 0.114 0.000 0.334 545 W C -0.493 176.004 176.519 -0.037 0.000 1.051 545 W CA -0.285 57.061 57.345 0.002 0.000 1.224 545 W CB 1.579 31.044 29.460 0.009 0.000 1.405 545 W HN 0.378 nan 8.180 nan 0.000 0.513 546 I N 2.183 122.893 120.570 0.233 0.000 2.722 546 I HA 0.868 5.106 4.170 0.113 0.000 0.295 546 I C -0.222 176.009 176.117 0.191 0.000 1.161 546 I CA -0.470 60.929 61.300 0.165 0.000 1.032 546 I CB 1.879 39.922 38.000 0.071 0.000 1.244 546 I HN 0.502 nan 8.210 nan 0.000 0.421 547 G N 3.215 112.137 108.800 0.203 0.000 2.523 547 G HA2 0.542 4.570 3.960 0.113 0.000 0.291 547 G HA3 0.542 4.570 3.960 0.113 0.000 0.291 547 G C -1.761 173.252 174.900 0.189 0.000 1.450 547 G CA -0.447 44.754 45.100 0.168 0.000 0.790 547 G HN 0.461 nan 8.290 nan 0.000 0.496 548 T N -0.051 114.582 114.554 0.132 0.000 2.861 548 T HA 0.677 5.095 4.350 0.113 0.000 0.287 548 T C -0.714 174.049 174.700 0.105 0.000 1.003 548 T CA -0.440 61.720 62.100 0.101 0.000 0.977 548 T CB 1.829 70.721 68.868 0.040 0.000 0.996 548 T HN 0.608 nan 8.240 nan 0.000 0.448 549 V N 3.487 123.474 119.914 0.121 0.000 2.709 549 V HA 0.445 4.633 4.120 0.113 0.000 0.308 549 V C -0.534 175.595 176.094 0.058 0.000 1.062 549 V CA -1.211 61.151 62.300 0.103 0.000 0.901 549 V CB 2.226 34.154 31.823 0.175 0.000 1.003 549 V HN 0.782 nan 8.190 nan 0.000 0.425 550 N N 4.448 123.168 118.700 0.032 0.000 2.430 550 N HA 0.564 5.372 4.740 0.113 0.000 0.265 550 N C -0.881 174.641 175.510 0.020 0.000 1.100 550 N CA -0.047 53.013 53.050 0.016 0.000 0.961 550 N CB 1.532 40.022 38.487 0.005 0.000 1.075 550 N HN 0.514 nan 8.380 nan 0.000 0.478 551 L N 0.399 121.634 121.223 0.019 0.000 2.323 551 L HA 0.406 4.814 4.340 0.113 0.000 0.265 551 L C 0.679 177.550 176.870 0.002 0.000 1.012 551 L CA -0.903 53.950 54.840 0.022 0.000 0.820 551 L CB 2.115 44.207 42.059 0.055 0.000 1.334 551 L HN 0.395 nan 8.230 nan 0.000 0.427 552 E N 1.415 121.613 120.200 -0.003 0.000 2.344 552 E HA 0.327 4.745 4.350 0.113 0.000 0.270 552 E C -0.349 176.234 176.600 -0.029 0.000 1.021 552 E CA -0.537 55.853 56.400 -0.016 0.000 0.887 552 E CB 1.306 30.997 29.700 -0.014 0.000 0.997 552 E HN 0.624 nan 8.360 nan 0.000 0.429 553 A N 3.314 126.109 122.820 -0.041 0.000 2.540 553 A HA 0.378 4.766 4.320 0.113 0.000 0.239 553 A C 1.269 178.816 177.584 -0.061 0.000 1.061 553 A CA 0.663 52.662 52.037 -0.062 0.000 0.758 553 A CB -0.168 18.790 19.000 -0.070 0.000 0.991 553 A HN 1.045 nan 8.150 nan 0.000 0.502 554 G N 1.463 110.215 108.800 -0.080 0.000 2.253 554 G HA2 -0.242 3.786 3.960 0.113 0.000 0.251 554 G HA3 -0.242 3.786 3.960 0.113 0.000 0.251 554 G C 0.230 175.094 174.900 -0.060 0.000 0.998 554 G CA 0.560 45.619 45.100 -0.069 0.000 0.621 554 G HN 1.035 nan 8.290 nan 0.000 0.524 555 D N 0.665 121.034 120.400 -0.051 0.000 2.443 555 D HA 0.402 5.110 4.640 0.113 0.000 0.239 555 D C 0.557 176.838 176.300 -0.033 0.000 1.136 555 D CA 0.112 54.095 54.000 -0.028 0.000 0.879 555 D CB 1.227 42.021 40.800 -0.011 0.000 1.195 555 D HN 0.252 nan 8.370 nan 0.000 0.443 556 V N 4.431 124.343 119.914 -0.004 0.000 2.364 556 V HA 0.271 4.459 4.120 0.113 0.000 0.272 556 V C 0.288 176.423 176.094 0.068 0.000 1.036 556 V CA -0.667 61.645 62.300 0.019 0.000 0.880 556 V CB 1.362 33.201 31.823 0.025 0.000 0.991 556 V HN 0.306 nan 8.190 nan 0.000 0.460 557 V N 4.840 124.831 119.914 0.129 0.000 2.667 557 V HA 0.499 4.687 4.120 0.113 0.000 0.308 557 V C -0.077 176.177 176.094 0.267 0.000 1.048 557 V CA -0.655 61.754 62.300 0.182 0.000 0.928 557 V CB 2.167 34.125 31.823 0.224 0.000 1.004 557 V HN 0.884 nan 8.190 nan 0.000 0.444 558 E N 2.770 123.100 120.200 0.218 0.000 2.222 558 E HA 0.659 5.077 4.350 0.113 0.000 0.267 558 E C -1.812 174.925 176.600 0.229 0.000 0.884 558 E CA -0.511 56.053 56.400 0.273 0.000 0.764 558 E CB 2.459 32.373 29.700 0.357 0.000 1.169 558 E HN 0.689 nan 8.360 nan 0.000 0.413 559 Y N -0.276 120.157 120.300 0.221 0.000 2.670 559 Y HA 0.650 5.268 4.550 0.113 0.000 0.334 559 Y C -1.414 174.691 175.900 0.343 0.000 1.185 559 Y CA -1.153 56.990 58.100 0.071 0.000 1.053 559 Y CB 1.489 39.830 38.460 -0.199 0.000 1.298 559 Y HN 0.204 nan 8.280 nan 0.000 0.459 560 K N 1.022 121.684 120.400 0.436 0.000 2.532 560 K HA 0.417 4.805 4.320 0.113 0.000 0.265 560 K C -2.012 174.651 176.600 0.104 0.000 0.948 560 K CA -0.978 55.521 56.287 0.353 0.000 0.842 560 K CB 2.441 35.267 32.500 0.544 0.000 1.392 560 K HN 0.689 nan 8.250 nan 0.000 0.436 561 Y N 2.081 122.510 120.300 0.214 0.000 2.301 561 Y HA 0.380 4.998 4.550 0.114 0.000 0.325 561 Y C 0.668 176.629 175.900 0.102 0.000 1.203 561 Y CA -0.581 57.599 58.100 0.133 0.000 1.255 561 Y CB 0.646 39.252 38.460 0.243 0.000 1.232 561 Y HN 0.355 nan 8.280 nan 0.000 0.501 562 I N 0.014 120.676 120.570 0.153 0.000 2.689 562 I HA 0.569 4.807 4.170 0.113 0.000 0.299 562 I C -1.008 175.119 176.117 0.016 0.000 1.059 562 I CA -1.146 60.144 61.300 -0.017 0.000 1.055 562 I CB 2.239 39.931 38.000 -0.513 0.000 1.243 562 I HN 0.457 nan 8.210 nan 0.000 0.425 563 N N 4.407 123.105 118.700 -0.003 0.000 2.424 563 N HA 0.442 5.250 4.740 0.113 0.000 0.271 563 N C -1.468 173.931 175.510 -0.186 0.000 0.985 563 N CA -0.315 52.613 53.050 -0.203 0.000 0.921 563 N CB 1.979 40.279 38.487 -0.312 0.000 1.149 563 N HN 0.568 nan 8.380 nan 0.000 0.492 564 V N 2.273 122.058 119.914 -0.215 0.000 2.384 564 V HA 0.578 4.766 4.120 0.113 0.000 0.287 564 V C 1.195 177.200 176.094 -0.149 0.000 1.020 564 V CA -0.894 61.305 62.300 -0.167 0.000 0.850 564 V CB 1.160 32.886 31.823 -0.162 0.000 0.987 564 V HN 0.682 nan 8.190 nan 0.000 0.436 565 G N 2.569 111.303 108.800 -0.109 0.000 2.580 565 G HA2 0.313 4.341 3.960 0.113 0.000 0.278 565 G HA3 0.313 4.341 3.960 0.113 0.000 0.278 565 G C 0.472 175.320 174.900 -0.086 0.000 1.212 565 G CA -0.314 44.730 45.100 -0.094 0.000 0.939 565 G HN 0.718 nan 8.290 nan 0.000 0.513 566 Q N -0.293 119.458 119.800 -0.081 0.000 2.112 566 Q HA -0.169 4.239 4.340 0.113 0.000 0.206 566 Q C 1.768 177.741 176.000 -0.045 0.000 0.987 566 Q CA 1.710 57.471 55.803 -0.070 0.000 0.858 566 Q CB -0.021 28.685 28.738 -0.053 0.000 0.905 566 Q HN 0.772 nan 8.270 nan 0.000 0.420 567 D N -1.393 118.987 120.400 -0.033 0.000 2.349 567 D HA 0.007 4.715 4.640 0.113 0.000 0.224 567 D C 1.101 177.388 176.300 -0.022 0.000 1.029 567 D CA 0.888 54.876 54.000 -0.020 0.000 0.879 567 D CB 0.071 40.864 40.800 -0.011 0.000 0.906 567 D HN 0.355 nan 8.370 nan 0.000 0.528 568 G N 0.646 109.425 108.800 -0.035 0.000 2.179 568 G HA2 -0.313 3.715 3.960 0.113 0.000 0.260 568 G HA3 -0.313 3.715 3.960 0.113 0.000 0.260 568 G C 0.385 175.267 174.900 -0.031 0.000 0.977 568 G CA 0.452 45.531 45.100 -0.035 0.000 0.641 568 G HN 0.792 nan 8.290 nan 0.000 0.533 569 S N -0.526 115.158 115.700 -0.026 0.000 2.549 569 S HA 0.584 5.122 4.470 0.113 0.000 0.283 569 S C 0.174 174.752 174.600 -0.035 0.000 1.320 569 S CA -0.093 58.098 58.200 -0.014 0.000 1.058 569 S CB 2.396 65.594 63.200 -0.003 0.000 0.882 569 S HN 1.045 nan 8.310 nan 0.000 0.498 570 V N 3.265 123.166 119.914 -0.022 0.000 2.459 570 V HA 0.481 4.669 4.120 0.113 0.000 0.295 570 V C 0.104 176.185 176.094 -0.021 0.000 1.029 570 V CA -0.586 61.665 62.300 -0.082 0.000 0.874 570 V CB 1.748 33.487 31.823 -0.139 0.000 0.985 570 V HN 1.058 nan 8.190 nan 0.000 0.438 571 T N 4.117 118.649 114.554 -0.037 0.000 2.786 571 T HA 0.413 4.831 4.350 0.113 0.000 0.283 571 T C -0.746 174.045 174.700 0.152 0.000 0.992 571 T CA -0.273 61.896 62.100 0.115 0.000 0.954 571 T CB 0.553 69.504 68.868 0.139 0.000 0.934 571 T HN 0.546 nan 8.240 nan 0.000 0.440 572 W N 2.928 124.325 121.300 0.162 0.000 2.313 572 W HA 0.381 5.109 4.660 0.113 0.000 0.328 572 W C 0.963 177.503 176.519 0.035 0.000 1.197 572 W CA -1.046 56.362 57.345 0.106 0.000 1.235 572 W CB 0.509 29.978 29.460 0.014 0.000 1.158 572 W HN 0.680 nan 8.180 nan 0.000 0.578 573 E N 1.017 121.176 120.200 -0.069 0.000 2.409 573 E HA 0.274 4.692 4.350 0.113 0.000 0.257 573 E C 0.404 176.873 176.600 -0.218 0.000 1.150 573 E CA -0.612 55.407 56.400 -0.635 0.000 0.942 573 E CB 0.735 29.589 29.700 -1.411 0.000 0.979 573 E HN 0.322 nan 8.360 nan 0.000 0.447 574 S N 1.737 117.292 115.700 -0.242 0.000 2.589 574 S HA 0.025 4.563 4.470 0.113 0.000 0.265 574 S C 0.018 174.520 174.600 -0.162 0.000 1.342 574 S CA -0.741 57.380 58.200 -0.131 0.000 1.005 574 S CB 0.543 63.687 63.200 -0.093 0.000 0.909 574 S HN 0.540 nan 8.310 nan 0.000 0.555 575 D N 2.482 122.799 120.400 -0.139 0.000 2.362 575 D HA 0.341 5.049 4.640 0.113 0.000 0.238 575 D C -1.776 174.426 176.300 -0.164 0.000 1.212 575 D CA -0.727 53.178 54.000 -0.158 0.000 0.902 575 D CB -0.011 40.706 40.800 -0.140 0.000 1.180 575 D HN 0.513 nan 8.370 nan 0.000 0.445 576 P HA 0.170 nan 4.420 nan 0.000 0.280 576 P C -0.304 176.853 177.300 -0.238 0.000 1.272 576 P CA -0.727 62.265 63.100 -0.180 0.000 0.819 576 P CB 0.680 32.294 31.700 -0.142 0.000 1.122 577 N N 0.444 119.040 118.700 -0.173 0.000 2.345 577 N HA -0.023 4.785 4.740 0.113 0.000 0.243 577 N C 0.410 175.787 175.510 -0.222 0.000 1.246 577 N CA 0.457 53.436 53.050 -0.118 0.000 0.863 577 N CB -0.247 38.259 38.487 0.031 0.000 1.096 577 N HN 0.400 nan 8.380 nan 0.000 0.446 578 H N 0.509 119.403 119.070 -0.294 0.000 2.652 578 H HA 0.159 4.783 4.556 0.113 0.000 0.349 578 H C -0.021 175.171 175.328 -0.227 0.000 1.099 578 H CA 0.395 56.200 56.048 -0.407 0.000 1.417 578 H CB 0.631 29.753 29.762 -1.067 0.000 1.457 578 H HN 0.280 nan 8.280 nan 0.000 0.568 579 T N 3.710 118.318 114.554 0.089 0.000 2.792 579 T HA 0.229 4.647 4.350 0.113 0.000 0.280 579 T C -1.091 173.802 174.700 0.321 0.000 0.990 579 T CA -0.557 61.650 62.100 0.179 0.000 0.960 579 T CB 0.609 69.547 68.868 0.116 0.000 0.939 579 T HN 0.424 nan 8.240 nan 0.000 0.439 580 Y N 2.166 122.596 120.300 0.218 0.000 2.354 580 Y HA 0.439 5.057 4.550 0.113 0.000 0.330 580 Y C -0.505 175.489 175.900 0.155 0.000 1.011 580 Y CA -0.887 57.348 58.100 0.226 0.000 1.099 580 Y CB 1.479 40.152 38.460 0.356 0.000 1.179 580 Y HN 0.541 nan 8.280 nan 0.000 0.442 581 T N 6.201 120.524 114.554 -0.385 0.000 2.728 581 T HA 0.323 4.741 4.350 0.113 0.000 0.296 581 T C -0.439 173.801 174.700 -0.767 0.000 0.940 581 T CA -0.464 61.399 62.100 -0.396 0.000 1.013 581 T CB 0.345 69.108 68.868 -0.176 0.000 0.912 581 T HN 0.446 nan 8.240 nan 0.000 0.484 582 V N 7.612 127.205 119.914 -0.535 0.000 2.485 582 V HA 0.119 4.307 4.120 0.113 0.000 0.287 582 V C -1.824 174.122 176.094 -0.245 0.000 1.022 582 V CA -1.554 60.517 62.300 -0.382 0.000 1.067 582 V CB -0.258 31.493 31.823 -0.119 0.000 0.967 582 V HN 0.684 nan 8.190 nan 0.000 0.479 583 P HA 0.214 nan 4.420 nan 0.000 0.267 583 P C -0.477 176.705 177.300 -0.196 0.000 1.200 583 P CA -0.016 62.959 63.100 -0.209 0.000 0.772 583 P CB 0.601 32.060 31.700 -0.401 0.000 0.855 584 A N 2.615 125.331 122.820 -0.172 0.000 3.105 584 A HA 0.494 4.882 4.320 0.113 0.000 0.336 584 A C -0.798 176.696 177.584 -0.150 0.000 1.042 584 A CA -0.391 51.563 52.037 -0.138 0.000 0.851 584 A CB -0.033 18.913 19.000 -0.090 0.000 1.068 584 A HN 0.300 nan 8.150 nan 0.000 0.477 585 V N 1.217 121.000 119.914 -0.219 0.000 2.588 585 V HA 0.651 4.839 4.120 0.113 0.000 0.304 585 V C 0.786 176.779 176.094 -0.168 0.000 1.042 585 V CA -0.640 61.535 62.300 -0.210 0.000 0.877 585 V CB 1.607 33.214 31.823 -0.362 0.000 0.996 585 V HN 0.980 nan 8.190 nan 0.000 0.425 586 A N 2.643 125.398 122.820 -0.108 0.000 2.584 586 A HA 0.292 4.680 4.320 0.113 0.000 0.239 586 A C 1.236 178.764 177.584 -0.092 0.000 1.043 586 A CA 0.886 52.872 52.037 -0.085 0.000 0.756 586 A CB -0.832 18.131 19.000 -0.062 0.000 0.963 586 A HN 1.819 nan 8.150 nan 0.000 0.511 587 c N 0.065 118.615 118.600 -0.084 0.000 5.538 587 c HA -0.161 4.477 4.570 0.113 0.000 0.254 587 c C 0.726 174.761 174.090 -0.091 0.000 1.712 587 c CA 0.197 56.481 56.329 -0.076 0.000 1.530 587 c CB -2.684 39.790 42.510 -0.061 0.000 2.410 587 c HN 0.920 nan 8.230 nan 0.000 0.564 588 V N 2.387 122.218 119.914 -0.140 0.000 2.304 588 V HA 0.412 4.600 4.120 0.113 0.000 0.262 588 V C 1.358 177.371 176.094 -0.135 0.000 1.061 588 V CA 1.367 63.564 62.300 -0.172 0.000 0.872 588 V CB 0.916 32.507 31.823 -0.386 0.000 1.077 588 V HN 0.643 nan 8.190 nan 0.000 0.480 589 T N 0.580 115.085 114.554 -0.082 0.000 2.985 589 T HA 0.236 4.654 4.350 0.113 0.000 0.254 589 T C 0.370 175.043 174.700 -0.046 0.000 1.021 589 T CA -0.039 62.024 62.100 -0.061 0.000 0.957 589 T CB 0.375 69.217 68.868 -0.043 0.000 1.047 589 T HN 0.502 nan 8.240 nan 0.000 0.511 590 Q N 1.115 120.892 119.800 -0.039 0.000 2.284 590 Q HA 0.588 4.996 4.340 0.113 0.000 0.269 590 Q C -1.511 174.477 176.000 -0.020 0.000 1.026 590 Q CA -0.813 54.970 55.803 -0.033 0.000 0.831 590 Q CB 2.551 31.274 28.738 -0.025 0.000 1.322 590 Q HN 0.319 nan 8.270 nan 0.000 0.419 591 V N 0.220 120.112 119.914 -0.036 0.000 3.040 591 V HA 0.891 5.079 4.120 0.113 0.000 0.312 591 V C -1.126 174.892 176.094 -0.126 0.000 1.115 591 V CA -0.766 61.530 62.300 -0.007 0.000 0.998 591 V CB 2.101 33.980 31.823 0.093 0.000 1.042 591 V HN 0.525 nan 8.190 nan 0.000 0.433 592 V N 1.936 121.763 119.914 -0.146 0.000 2.487 592 V HA 0.608 4.796 4.120 0.113 0.000 0.298 592 V C -0.306 175.666 176.094 -0.203 0.000 1.028 592 V CA -0.574 61.561 62.300 -0.276 0.000 0.860 592 V CB 1.605 33.058 31.823 -0.616 0.000 0.991 592 V HN 1.007 nan 8.190 nan 0.000 0.427 593 K N 3.713 123.945 120.400 -0.280 0.000 2.316 593 K HA 0.387 4.775 4.320 0.113 0.000 0.267 593 K C -0.177 176.403 176.600 -0.034 0.000 1.025 593 K CA -0.058 56.077 56.287 -0.254 0.000 0.896 593 K CB 0.732 32.893 32.500 -0.564 0.000 1.124 593 K HN 0.707 nan 8.250 nan 0.000 0.451 594 E N 3.893 124.103 120.200 0.016 0.000 2.046 594 E HA 0.156 4.574 4.350 0.113 0.000 0.279 594 E C -0.822 175.887 176.600 0.180 0.000 0.989 594 E CA -0.482 55.981 56.400 0.105 0.000 0.798 594 E CB 0.990 30.696 29.700 0.010 0.000 1.086 594 E HN 0.546 nan 8.360 nan 0.000 0.399 595 D N 1.607 122.149 120.400 0.238 0.000 2.374 595 D HA 0.432 5.140 4.640 0.113 0.000 0.239 595 D C -0.512 175.891 176.300 0.173 0.000 0.991 595 D CA -0.408 53.731 54.000 0.231 0.000 0.960 595 D CB 2.263 43.247 40.800 0.307 0.000 1.284 595 D HN 0.135 nan 8.370 nan 0.000 0.512 596 T N 0.426 115.094 114.554 0.190 0.000 2.886 596 T HA 0.119 4.537 4.350 0.113 0.000 0.292 596 T C -0.458 174.377 174.700 0.226 0.000 1.012 596 T CA -0.730 61.473 62.100 0.172 0.000 0.982 596 T CB 1.426 70.388 68.868 0.156 0.000 1.018 596 T HN 0.275 nan 8.240 nan 0.000 0.451 597 W N 4.049 125.369 121.300 0.033 0.000 2.343 597 W HA 0.007 4.735 4.660 0.113 0.000 0.337 597 W C -0.431 176.150 176.519 0.103 0.000 1.320 597 W CA 0.279 57.664 57.345 0.066 0.000 1.290 597 W CB 0.248 29.721 29.460 0.021 0.000 1.206 597 W HN 0.663 nan 8.180 nan 0.000 0.565 598 Q N 4.977 124.557 119.800 -0.367 0.000 2.361 598 Q HA 0.129 4.537 4.340 0.113 0.000 0.250 598 Q C 0.221 176.049 176.000 -0.286 0.000 1.023 598 Q CA -0.144 55.504 55.803 -0.258 0.000 0.915 598 Q CB 1.100 29.681 28.738 -0.263 0.000 1.238 598 Q HN 0.266 nan 8.270 nan 0.000 0.451 599 S N 0.000 115.710 115.700 0.017 0.000 2.498 599 S HA 0.000 4.538 4.470 0.113 0.000 0.327 599 S CA 0.000 58.288 58.200 0.146 0.000 1.107 599 S CB 0.000 63.322 63.200 0.204 0.000 0.593 599 S HN 0.000 nan 8.310 nan 0.000 0.517