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 1vnh_1_A DATA FIRST_RESID 4 DATA SEQUENCE VTPIPLPKID EPEEYNTNYI LFWNHVGLEL NRVTHTVGGP LTGPPLSARA DATA SEQUENCE LGMLHLAIHD AYFSICPPTD FTTFLSPDTE NAAYRLPSPN GANDARQAVA DATA SEQUENCE GAALKMLSSL YMKPVEQPNP NPGANISDNA YAQLGLVLDR SVLEAPGGVD DATA SEQUENCE RESASFMFGE DVADVFFALL NDPRGASQEG YHPTPGRYKF DDEPTHPVVL DATA SEQUENCE IPVDPNNPNG PKMPFRQYHA PFYGKTTKRF ATQSEHFLAD PPGLRSNADE DATA SEQUENCE TAEYDDAVRV AIAMGGAQAL NSTKRSPWQT AQGLYWAYDG SNLIGTPPRF DATA SEQUENCE YNQIVRRIAV TYKKEEDLAN SEVNNADFAR LFALVDVACT DAGIFSWKEK DATA SEQUENCE WEFEFWRPLS GVRDDGRPDH GDPFWLTLGA PATNTNDIPF KPPFPAYPSG DATA SEQUENCE HATFGGAVFQ MVRRYYNGRV GTWKDDEPDN IAIDMMISEE LNGVNRDLRQ DATA SEQUENCE PYDPTAPIED QPGIVRTRIV RHFDSAWELM FENAISRIFL GVAWRFDAAA DATA SEQUENCE ARDILIPTTT KDVYAVDNNG ATVFQNVEDI RYTTRGTRED EEGLFPIGGV DATA SEQUENCE PLGIEIADEI FNNGLKPTPP EIQP 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 4 V HA 0.000 nan 4.120 nan 0.000 0.244 4 V C 0.000 176.097 176.094 0.004 0.000 1.182 4 V CA 0.000 62.304 62.300 0.007 0.000 1.235 4 V CB 0.000 31.831 31.823 0.013 0.000 1.184 5 T N 6.328 120.881 114.554 -0.001 0.000 2.752 5 T HA 0.415 4.761 4.350 -0.005 0.000 0.295 5 T C -2.674 172.025 174.700 -0.001 0.000 0.923 5 T CA -0.499 61.598 62.100 -0.004 0.000 1.112 5 T CB 0.944 69.804 68.868 -0.013 0.000 0.884 5 T HN 0.547 nan 8.240 nan 0.000 0.525 6 P HA 0.211 nan 4.420 nan 0.000 0.271 6 P C -0.073 177.232 177.300 0.008 0.000 1.216 6 P CA -0.406 62.698 63.100 0.006 0.000 0.776 6 P CB 0.390 32.094 31.700 0.007 0.000 0.881 7 I N 5.247 125.826 120.570 0.016 0.000 2.556 7 I HA 0.093 4.260 4.170 -0.005 0.000 0.284 7 I C -1.835 174.302 176.117 0.033 0.000 1.114 7 I CA -1.736 59.585 61.300 0.035 0.000 1.418 7 I CB 0.402 38.440 38.000 0.062 0.000 1.394 7 I HN 0.170 nan 8.210 nan 0.000 0.552 8 P HA 0.258 nan 4.420 nan 0.000 0.279 8 P C -0.801 176.523 177.300 0.040 0.000 1.318 8 P CA -0.147 62.971 63.100 0.031 0.000 0.819 8 P CB 0.274 31.989 31.700 0.025 0.000 0.927 9 L N 6.201 127.436 121.223 0.020 0.000 2.305 9 L HA 0.387 4.724 4.340 -0.005 0.000 0.281 9 L C -1.384 175.486 176.870 -0.000 0.000 1.085 9 L CA -1.960 52.884 54.840 0.006 0.000 0.813 9 L CB 0.322 42.376 42.059 -0.008 0.000 1.157 9 L HN 0.235 nan 8.230 nan 0.000 0.436 10 P HA 0.071 nan 4.420 nan 0.000 0.272 10 P C -0.840 176.450 177.300 -0.017 0.000 1.230 10 P CA -0.617 62.472 63.100 -0.018 0.000 0.788 10 P CB 0.805 32.483 31.700 -0.037 0.000 0.949 11 K N 1.582 121.972 120.400 -0.016 0.000 2.382 11 K HA 0.193 4.509 4.320 -0.005 0.000 0.275 11 K C -0.108 176.480 176.600 -0.020 0.000 1.009 11 K CA 0.095 56.373 56.287 -0.014 0.000 0.970 11 K CB -0.370 32.119 32.500 -0.018 0.000 0.934 11 K HN 0.336 nan 8.250 nan 0.000 0.479 12 I N 3.286 123.848 120.570 -0.014 0.000 2.428 12 I HA 0.060 4.227 4.170 -0.005 0.000 0.289 12 I C 0.054 176.148 176.117 -0.039 0.000 1.019 12 I CA -0.307 60.985 61.300 -0.014 0.000 1.351 12 I CB 1.123 39.130 38.000 0.012 0.000 1.412 12 I HN 0.530 nan 8.210 nan 0.000 0.513 13 D N 7.462 127.843 120.400 -0.032 0.000 2.470 13 D HA 0.152 4.789 4.640 -0.005 0.000 0.226 13 D C -0.163 176.091 176.300 -0.078 0.000 1.196 13 D CA 0.533 54.508 54.000 -0.041 0.000 0.979 13 D CB 0.351 41.144 40.800 -0.011 0.000 1.059 13 D HN 0.535 nan 8.370 nan 0.000 0.515 14 E N 2.125 122.232 120.200 -0.154 0.000 2.400 14 E HA 0.279 4.626 4.350 -0.005 0.000 0.285 14 E C -2.883 173.480 176.600 -0.394 0.000 1.005 14 E CA -1.746 54.456 56.400 -0.330 0.000 0.816 14 E CB 1.623 31.101 29.700 -0.370 0.000 1.220 14 E HN -0.097 nan 8.360 nan 0.000 0.426 15 P HA -0.000 nan 4.420 nan 0.000 0.263 15 P C 0.078 177.218 177.300 -0.267 0.000 1.195 15 P CA 0.318 63.237 63.100 -0.302 0.000 0.762 15 P CB 0.491 32.090 31.700 -0.167 0.000 0.799 16 E N 2.990 123.119 120.200 -0.119 0.000 2.409 16 E HA -0.238 4.109 4.350 -0.005 0.000 0.198 16 E C 1.011 177.617 176.600 0.010 0.000 1.024 16 E CA 0.895 57.250 56.400 -0.074 0.000 0.861 16 E CB -0.293 29.375 29.700 -0.054 0.000 0.788 16 E HN 0.632 nan 8.360 nan 0.000 0.521 17 E N 0.337 120.582 120.200 0.075 0.000 2.153 17 E HA -0.254 4.093 4.350 -0.005 0.000 0.194 17 E C 1.268 178.004 176.600 0.227 0.000 0.988 17 E CA 0.908 57.392 56.400 0.141 0.000 0.811 17 E CB -0.580 29.215 29.700 0.159 0.000 0.746 17 E HN 0.274 nan 8.360 nan 0.000 0.466 18 Y N 1.998 122.291 120.300 -0.012 0.000 2.102 18 Y HA -0.197 4.350 4.550 -0.005 0.000 0.280 18 Y C 1.849 177.738 175.900 -0.018 0.000 1.178 18 Y CA 1.253 59.339 58.100 -0.024 0.000 1.146 18 Y CB -0.795 37.632 38.460 -0.055 0.000 0.968 18 Y HN 0.128 nan 8.280 nan 0.000 0.504 19 N N -0.259 118.527 118.700 0.144 0.000 2.575 19 N HA -0.067 4.670 4.740 -0.005 0.000 0.192 19 N C 1.531 177.093 175.510 0.087 0.000 1.200 19 N CA 1.095 54.206 53.050 0.101 0.000 0.897 19 N CB -0.495 38.011 38.487 0.031 0.000 0.990 19 N HN 0.554 nan 8.380 nan 0.000 0.449 20 T N -3.302 111.301 114.554 0.082 0.000 3.067 20 T HA -0.018 4.329 4.350 -0.005 0.000 0.261 20 T C 0.763 175.520 174.700 0.095 0.000 1.110 20 T CA -0.023 62.113 62.100 0.060 0.000 1.113 20 T CB 0.198 69.105 68.868 0.065 0.000 0.917 20 T HN 0.030 nan 8.240 nan 0.000 0.499 21 N N 0.924 119.693 118.700 0.115 0.000 2.422 21 N HA 0.060 4.797 4.740 -0.005 0.000 0.264 21 N C 0.762 176.353 175.510 0.135 0.000 1.063 21 N CA -0.475 52.643 53.050 0.113 0.000 0.959 21 N CB 1.001 39.581 38.487 0.156 0.000 1.087 21 N HN 0.492 nan 8.380 nan 0.000 0.483 22 Y N 3.738 124.128 120.300 0.150 0.000 2.497 22 Y HA -0.002 4.544 4.550 -0.006 0.000 0.292 22 Y C 1.531 177.613 175.900 0.304 0.000 1.137 22 Y CA 0.367 58.589 58.100 0.203 0.000 1.285 22 Y CB -0.054 38.554 38.460 0.247 0.000 0.991 22 Y HN 0.383 nan 8.280 nan 0.000 0.556 23 I N 0.790 121.350 120.570 -0.017 0.000 2.333 23 I HA -0.180 3.987 4.170 -0.005 0.000 0.246 23 I C 2.352 178.486 176.117 0.028 0.000 1.106 23 I CA 0.986 62.322 61.300 0.059 0.000 1.411 23 I CB -1.057 36.919 38.000 -0.040 0.000 1.082 23 I HN 0.387 nan 8.210 nan 0.000 0.420 24 L N -0.313 120.886 121.223 -0.040 0.000 2.093 24 L HA -0.224 4.113 4.340 -0.005 0.000 0.208 24 L C 2.645 179.500 176.870 -0.025 0.000 1.085 24 L CA 1.236 55.991 54.840 -0.142 0.000 0.755 24 L CB -0.713 41.268 42.059 -0.129 0.000 0.904 24 L HN 0.120 nan 8.230 nan 0.000 0.435 25 F N 0.105 120.002 119.950 -0.088 0.000 2.095 25 F HA -0.243 4.280 4.527 -0.006 0.000 0.298 25 F C 2.046 177.731 175.800 -0.192 0.000 1.104 25 F CA 1.550 59.443 58.000 -0.179 0.000 1.232 25 F CB -0.479 38.318 39.000 -0.338 0.000 0.987 25 F HN -0.028 nan 8.300 nan 0.000 0.475 26 W N 0.297 121.603 121.300 0.009 0.000 2.425 26 W HA -0.133 4.524 4.660 -0.005 0.000 0.277 26 W C 2.406 178.805 176.519 -0.201 0.000 1.231 26 W CA 1.006 58.278 57.345 -0.123 0.000 1.248 26 W CB -0.705 28.768 29.460 0.022 0.000 1.117 26 W HN 0.128 nan 8.180 nan 0.000 0.568 27 N N -0.078 118.637 118.700 0.025 0.000 2.106 27 N HA -0.281 4.456 4.740 -0.005 0.000 0.188 27 N C 1.702 177.192 175.510 -0.034 0.000 1.029 27 N CA 2.053 55.117 53.050 0.024 0.000 0.848 27 N CB -0.566 37.823 38.487 -0.164 0.000 1.007 27 N HN 0.221 nan 8.380 nan 0.000 0.423 28 H N -0.467 118.482 119.070 -0.202 0.000 2.352 28 H HA -0.045 4.507 4.556 -0.006 0.000 0.299 28 H C 1.727 176.894 175.328 -0.267 0.000 1.097 28 H CA 2.101 58.013 56.048 -0.228 0.000 1.311 28 H CB -0.408 29.183 29.762 -0.286 0.000 1.377 28 H HN 0.097 nan 8.280 nan 0.000 0.504 29 V N 0.366 119.955 119.914 -0.541 0.000 2.407 29 V HA -0.191 3.926 4.120 -0.005 0.000 0.248 29 V C 2.766 178.696 176.094 -0.273 0.000 1.055 29 V CA 1.783 63.796 62.300 -0.478 0.000 1.049 29 V CB -1.199 30.445 31.823 -0.299 0.000 0.662 29 V HN 0.755 nan 8.190 nan 0.000 0.455 30 G N -0.195 108.520 108.800 -0.141 0.000 2.422 30 G HA2 -0.174 3.783 3.960 -0.005 0.000 0.218 30 G HA3 -0.174 3.783 3.960 -0.005 0.000 0.218 30 G C 1.544 176.388 174.900 -0.093 0.000 1.146 30 G CA 0.755 45.818 45.100 -0.061 0.000 0.769 30 G HN 0.470 nan 8.290 nan 0.000 0.547 31 L N 0.072 121.220 121.223 -0.125 0.000 2.156 31 L HA 0.004 4.341 4.340 -0.005 0.000 0.208 31 L C 2.864 179.634 176.870 -0.166 0.000 1.095 31 L CA 0.767 55.544 54.840 -0.104 0.000 0.770 31 L CB -0.355 41.666 42.059 -0.063 0.000 0.914 31 L HN 0.149 nan 8.230 nan 0.000 0.439 32 E N 0.571 120.590 120.200 -0.302 0.000 2.072 32 E HA -0.162 4.184 4.350 -0.005 0.000 0.191 32 E C 2.372 178.831 176.600 -0.236 0.000 0.985 32 E CA 1.099 57.326 56.400 -0.289 0.000 0.801 32 E CB -0.203 29.255 29.700 -0.403 0.000 0.750 32 E HN 0.482 nan 8.360 nan 0.000 0.452 33 L N 1.599 122.642 121.223 -0.301 0.000 2.083 33 L HA -0.172 4.165 4.340 -0.005 0.000 0.209 33 L C 2.487 179.168 176.870 -0.314 0.000 1.083 33 L CA 0.863 55.430 54.840 -0.456 0.000 0.752 33 L CB -0.550 41.008 42.059 -0.835 0.000 0.899 33 L HN 0.158 nan 8.230 nan 0.000 0.433 34 N N 1.644 120.267 118.700 -0.129 0.000 2.025 34 N HA -0.248 4.489 4.740 -0.005 0.000 0.194 34 N C 2.044 177.639 175.510 0.141 0.000 1.044 34 N CA 2.165 55.258 53.050 0.073 0.000 0.851 34 N CB -0.033 38.486 38.487 0.054 0.000 1.036 34 N HN 0.412 nan 8.380 nan 0.000 0.422 35 R N 0.148 120.657 120.500 0.015 0.000 2.115 35 R HA 0.014 4.351 4.340 -0.005 0.000 0.230 35 R C 2.227 178.523 176.300 -0.006 0.000 1.111 35 R CA 1.250 57.352 56.100 0.002 0.000 0.976 35 R CB -0.619 29.645 30.300 -0.060 0.000 0.870 35 R HN 0.009 nan 8.270 nan 0.000 0.445 36 V N 1.060 120.939 119.914 -0.058 0.000 2.358 36 V HA -0.206 3.911 4.120 -0.005 0.000 0.246 36 V C 2.468 178.522 176.094 -0.067 0.000 1.047 36 V CA 2.273 64.530 62.300 -0.071 0.000 1.035 36 V CB -0.516 31.242 31.823 -0.109 0.000 0.658 36 V HN 0.537 nan 8.190 nan 0.000 0.452 37 T N -1.003 113.499 114.554 -0.085 0.000 2.833 37 T HA -0.222 4.125 4.350 -0.005 0.000 0.269 37 T C 1.625 176.218 174.700 -0.178 0.000 1.054 37 T CA 1.737 63.768 62.100 -0.114 0.000 1.135 37 T CB -0.305 68.534 68.868 -0.048 0.000 0.869 37 T HN 0.693 nan 8.240 nan 0.000 0.466 38 H N -0.363 118.678 119.070 -0.049 0.000 2.548 38 H HA 0.182 4.735 4.556 -0.005 0.000 0.268 38 H C 2.284 177.566 175.328 -0.077 0.000 0.975 38 H CA 1.230 57.245 56.048 -0.056 0.000 1.195 38 H CB 0.259 29.987 29.762 -0.056 0.000 1.397 38 H HN 0.282 nan 8.280 nan 0.000 0.572 39 T N -0.727 113.827 114.554 0.001 0.000 3.010 39 T HA -0.039 4.308 4.350 -0.005 0.000 0.252 39 T C 2.013 176.710 174.700 -0.005 0.000 1.047 39 T CA 1.068 63.147 62.100 -0.035 0.000 1.140 39 T CB 0.004 68.841 68.868 -0.051 0.000 0.885 39 T HN 0.338 nan 8.240 nan 0.000 0.464 40 V N -1.031 118.866 119.914 -0.028 0.000 3.650 40 V HA 0.581 4.697 4.120 -0.005 0.000 0.271 40 V C 1.349 177.399 176.094 -0.073 0.000 1.281 40 V CA 0.280 62.558 62.300 -0.037 0.000 1.120 40 V CB -0.818 30.974 31.823 -0.051 0.000 0.856 40 V HN 0.516 nan 8.190 nan 0.000 0.443 41 G N 0.140 108.883 108.800 -0.096 0.000 2.291 41 G HA2 -0.055 3.902 3.960 -0.005 0.000 0.271 41 G HA3 -0.055 3.902 3.960 -0.005 0.000 0.271 41 G C 0.430 175.233 174.900 -0.162 0.000 1.099 41 G CA 0.245 45.275 45.100 -0.117 0.000 0.919 41 G HN 1.242 nan 8.290 nan 0.000 0.496 42 G N -0.029 108.659 108.800 -0.186 0.000 2.509 42 G HA2 0.815 4.772 3.960 -0.005 0.000 0.269 42 G HA3 0.815 4.772 3.960 -0.005 0.000 0.269 42 G C -1.566 173.233 174.900 -0.170 0.000 1.416 42 G CA -0.477 44.484 45.100 -0.231 0.000 1.052 42 G HN 0.367 nan 8.290 nan 0.000 0.542 43 P HA 0.225 nan 4.420 nan 0.000 0.274 43 P C 0.087 177.329 177.300 -0.097 0.000 1.246 43 P CA -0.136 62.914 63.100 -0.084 0.000 0.795 43 P CB 0.909 32.583 31.700 -0.043 0.000 1.006 44 L N -2.544 118.603 121.223 -0.127 0.000 3.634 44 L HA -0.190 4.147 4.340 -0.005 0.000 0.423 44 L C 0.746 177.561 176.870 -0.092 0.000 1.253 44 L CA 0.529 55.291 54.840 -0.129 0.000 0.885 44 L CB -2.808 39.117 42.059 -0.224 0.000 1.789 44 L HN 0.560 nan 8.230 nan 0.000 0.904 45 T N -2.251 112.224 114.554 -0.130 0.000 2.847 45 T HA 0.749 5.096 4.350 -0.005 0.000 0.279 45 T C 0.782 175.537 174.700 0.091 0.000 0.984 45 T CA -0.018 61.961 62.100 -0.202 0.000 0.988 45 T CB 2.061 70.756 68.868 -0.289 0.000 1.040 45 T HN 1.374 nan 8.240 nan 0.000 0.528 46 G N 1.432 110.395 108.800 0.271 0.000 2.730 46 G HA2 -0.036 3.921 3.960 -0.005 0.000 0.686 46 G HA3 -0.036 3.921 3.960 -0.005 0.000 0.686 46 G C -2.422 172.491 174.900 0.021 0.000 1.343 46 G CA -0.453 44.657 45.100 0.016 0.000 0.826 46 G HN 0.611 nan 8.290 nan 0.000 0.582 47 P HA -0.015 nan 4.420 nan 0.000 0.211 47 P C -0.624 176.541 177.300 -0.225 0.000 1.179 47 P CA 2.866 65.906 63.100 -0.100 0.000 0.910 47 P CB -0.404 31.367 31.700 0.118 0.000 0.785 48 P HA -0.130 nan 4.420 nan 0.000 0.215 48 P C 1.679 178.699 177.300 -0.466 0.000 1.153 48 P CA 1.628 64.370 63.100 -0.598 0.000 0.853 48 P CB -0.427 30.537 31.700 -1.226 0.000 0.788 49 L N 0.240 121.165 121.223 -0.497 0.000 2.156 49 L HA -0.083 4.254 4.340 -0.005 0.000 0.208 49 L C 2.915 179.680 176.870 -0.175 0.000 1.095 49 L CA 1.782 56.409 54.840 -0.355 0.000 0.770 49 L CB -1.021 40.840 42.059 -0.331 0.000 0.914 49 L HN 0.106 nan 8.230 nan 0.000 0.439 50 S N 0.100 115.733 115.700 -0.113 0.000 2.402 50 S HA -0.107 4.360 4.470 -0.005 0.000 0.229 50 S C 2.125 176.676 174.600 -0.082 0.000 1.021 50 S CA 0.751 58.936 58.200 -0.026 0.000 0.974 50 S CB -0.279 62.964 63.200 0.071 0.000 0.800 50 S HN 0.336 nan 8.310 nan 0.000 0.484 51 A N 2.378 125.098 122.820 -0.167 0.000 1.897 51 A HA 0.050 4.367 4.320 -0.005 0.000 0.215 51 A C 2.318 179.819 177.584 -0.139 0.000 1.181 51 A CA 1.261 53.187 52.037 -0.186 0.000 0.620 51 A CB -0.738 18.131 19.000 -0.218 0.000 0.821 51 A HN 0.530 nan 8.150 nan 0.000 0.443 52 R N -0.301 120.108 120.500 -0.153 0.000 2.091 52 R HA -0.158 4.178 4.340 -0.005 0.000 0.238 52 R C 2.281 178.578 176.300 -0.005 0.000 1.136 52 R CA 1.489 57.499 56.100 -0.150 0.000 0.959 52 R CB -0.397 29.853 30.300 -0.083 0.000 0.856 52 R HN 0.459 nan 8.270 nan 0.000 0.437 53 A N 0.866 123.683 122.820 -0.005 0.000 1.902 53 A HA -0.146 4.170 4.320 -0.005 0.000 0.217 53 A C 2.169 179.802 177.584 0.082 0.000 1.181 53 A CA 1.262 53.323 52.037 0.041 0.000 0.623 53 A CB -0.492 18.524 19.000 0.027 0.000 0.818 53 A HN 0.347 nan 8.150 nan 0.000 0.443 54 L N -0.893 120.373 121.223 0.073 0.000 2.156 54 L HA -0.058 4.279 4.340 -0.005 0.000 0.208 54 L C 2.787 179.750 176.870 0.155 0.000 1.095 54 L CA 0.842 55.757 54.840 0.124 0.000 0.770 54 L CB -0.628 41.498 42.059 0.112 0.000 0.914 54 L HN 0.492 nan 8.230 nan 0.000 0.439 55 G N -0.279 108.579 108.800 0.096 0.000 2.402 55 G HA2 -0.239 3.718 3.960 -0.005 0.000 0.216 55 G HA3 -0.239 3.718 3.960 -0.005 0.000 0.216 55 G C 1.632 176.662 174.900 0.216 0.000 1.162 55 G CA 0.538 45.726 45.100 0.146 0.000 0.777 55 G HN 0.172 nan 8.290 nan 0.000 0.539 56 M N -0.328 119.418 119.600 0.243 0.000 2.117 56 M HA 0.033 4.510 4.480 -0.005 0.000 0.262 56 M C 2.438 178.697 176.300 -0.068 0.000 1.065 56 M CA 0.976 56.333 55.300 0.094 0.000 1.114 56 M CB -0.379 32.312 32.600 0.152 0.000 1.361 56 M HN 0.272 nan 8.290 nan 0.000 0.408 57 L N -0.044 121.162 121.223 -0.029 0.000 1.989 57 L HA -0.244 4.093 4.340 -0.005 0.000 0.211 57 L C 2.428 179.150 176.870 -0.247 0.000 1.071 57 L CA 2.035 56.791 54.840 -0.139 0.000 0.749 57 L CB -0.917 41.061 42.059 -0.135 0.000 0.890 57 L HN 0.318 nan 8.230 nan 0.000 0.431 58 H N -1.322 117.721 119.070 -0.045 0.000 2.524 58 H HA -0.011 4.542 4.556 -0.006 0.000 0.282 58 H C 2.062 177.324 175.328 -0.110 0.000 1.016 58 H CA 1.076 57.109 56.048 -0.025 0.000 1.270 58 H CB 0.335 30.136 29.762 0.065 0.000 1.394 58 H HN 0.270 nan 8.280 nan 0.000 0.568 59 L N 0.621 121.702 121.223 -0.237 0.000 2.095 59 L HA 0.023 4.360 4.340 -0.005 0.000 0.204 59 L C 2.599 178.985 176.870 -0.806 0.000 1.080 59 L CA 1.466 55.944 54.840 -0.604 0.000 0.759 59 L CB -1.012 40.480 42.059 -0.945 0.000 0.914 59 L HN 0.116 nan 8.230 nan 0.000 0.439 60 A N -0.455 121.893 122.820 -0.788 0.000 1.877 60 A HA -0.185 4.132 4.320 -0.005 0.000 0.216 60 A C 2.304 179.780 177.584 -0.180 0.000 1.186 60 A CA 1.852 53.589 52.037 -0.501 0.000 0.620 60 A CB -0.682 18.149 19.000 -0.281 0.000 0.822 60 A HN 0.396 nan 8.150 nan 0.000 0.443 61 I N -1.267 119.220 120.570 -0.138 0.000 2.142 61 I HA -0.286 3.881 4.170 -0.005 0.000 0.240 61 I C 2.633 178.821 176.117 0.119 0.000 1.078 61 I CA 1.722 63.008 61.300 -0.023 0.000 1.343 61 I CB -0.625 37.357 38.000 -0.030 0.000 1.046 61 I HN 0.555 nan 8.210 nan 0.000 0.405 62 H N 1.393 120.511 119.070 0.080 0.000 2.289 62 H HA -0.242 4.310 4.556 -0.006 0.000 0.296 62 H C 1.630 177.188 175.328 0.383 0.000 1.091 62 H CA 2.452 58.658 56.048 0.263 0.000 1.274 62 H CB -0.105 29.817 29.762 0.267 0.000 1.364 62 H HN 0.299 nan 8.280 nan 0.000 0.490 63 D N 0.120 120.812 120.400 0.487 0.000 2.183 63 D HA -0.013 4.623 4.640 -0.005 0.000 0.203 63 D C 2.273 178.779 176.300 0.344 0.000 0.969 63 D CA 1.115 55.419 54.000 0.507 0.000 0.842 63 D CB -0.411 40.764 40.800 0.625 0.000 0.957 63 D HN 0.488 nan 8.370 nan 0.000 0.484 64 A N -0.148 122.794 122.820 0.204 0.000 1.898 64 A HA -0.204 4.113 4.320 -0.005 0.000 0.216 64 A C 2.166 179.898 177.584 0.247 0.000 1.181 64 A CA 1.154 53.286 52.037 0.157 0.000 0.620 64 A CB -0.954 18.048 19.000 0.002 0.000 0.819 64 A HN 0.351 nan 8.150 nan 0.000 0.442 65 Y N -0.832 119.479 120.300 0.019 0.000 2.184 65 Y HA -0.125 4.422 4.550 -0.005 0.000 0.290 65 Y C 1.732 177.533 175.900 -0.165 0.000 1.129 65 Y CA 1.792 59.818 58.100 -0.123 0.000 1.144 65 Y CB -0.297 37.952 38.460 -0.352 0.000 0.995 65 Y HN 0.252 nan 8.280 nan 0.000 0.513 66 F N -0.493 119.570 119.950 0.189 0.000 2.699 66 F HA -0.059 4.465 4.527 -0.005 0.000 0.298 66 F C 2.426 178.263 175.800 0.061 0.000 1.154 66 F CA 0.972 59.019 58.000 0.078 0.000 1.457 66 F CB -0.649 38.419 39.000 0.112 0.000 1.106 66 F HN -0.012 nan 8.300 nan 0.000 0.585 67 S N 0.012 115.866 115.700 0.257 0.000 2.377 67 S HA 0.001 4.468 4.470 -0.005 0.000 0.223 67 S C 2.151 176.785 174.600 0.056 0.000 1.030 67 S CA 0.775 59.109 58.200 0.223 0.000 0.970 67 S CB -0.123 63.330 63.200 0.421 0.000 0.830 67 S HN 0.284 nan 8.310 nan 0.000 0.473 68 I N 0.259 120.829 120.570 -0.001 0.000 2.584 68 I HA -0.007 4.160 4.170 -0.005 0.000 0.255 68 I C 0.070 176.093 176.117 -0.157 0.000 1.145 68 I CA 0.567 61.803 61.300 -0.108 0.000 1.462 68 I CB 0.145 38.088 38.000 -0.096 0.000 1.102 68 I HN 0.223 nan 8.210 nan 0.000 0.433 69 C N 2.311 121.456 119.300 -0.258 0.000 2.621 69 C HA 0.371 4.828 4.460 -0.005 0.000 0.272 69 C C -2.259 172.714 174.990 -0.028 0.000 1.119 69 C CA -1.514 57.354 59.018 -0.250 0.000 1.593 69 C CB -0.567 26.819 27.740 -0.590 0.000 1.749 69 C HN 0.076 nan 8.230 nan 0.000 0.420 70 P HA 0.076 nan 4.420 nan 0.000 0.260 70 P C -1.978 175.328 177.300 0.011 0.000 1.172 70 P CA 0.036 63.165 63.100 0.048 0.000 0.760 70 P CB 0.151 31.850 31.700 -0.002 0.000 0.773 71 P HA 0.145 nan 4.420 nan 0.000 0.278 71 P C 0.315 177.373 177.300 -0.402 0.000 1.258 71 P CA -0.263 62.565 63.100 -0.454 0.000 0.811 71 P CB 1.150 32.033 31.700 -1.363 0.000 1.063 72 T N -3.394 110.931 114.554 -0.382 0.000 3.046 72 T HA 0.050 4.397 4.350 -0.005 0.000 0.242 72 T C 1.012 175.577 174.700 -0.224 0.000 1.018 72 T CA 0.519 62.483 62.100 -0.228 0.000 1.131 72 T CB -0.607 68.187 68.868 -0.123 0.000 0.904 72 T HN 0.139 nan 8.240 nan 0.000 0.459 73 D N 1.196 121.442 120.400 -0.257 0.000 2.355 73 D HA 0.283 4.919 4.640 -0.005 0.000 0.218 73 D C 0.134 176.446 176.300 0.019 0.000 1.004 73 D CA 0.292 54.246 54.000 -0.078 0.000 0.880 73 D CB 0.071 40.900 40.800 0.050 0.000 0.911 73 D HN 0.636 nan 8.370 nan 0.000 0.528 74 F N -2.270 117.630 119.950 -0.084 0.000 2.985 74 F HA 0.594 5.118 4.527 -0.004 0.000 0.322 74 F C -0.269 175.490 175.800 -0.069 0.000 1.187 74 F CA -1.197 56.757 58.000 -0.077 0.000 0.910 74 F CB 0.659 39.607 39.000 -0.087 0.000 1.411 74 F HN -0.256 nan 8.300 nan 0.000 0.492 75 T N -2.308 112.401 114.554 0.258 0.000 2.773 75 T HA 0.657 5.004 4.350 -0.005 0.000 0.278 75 T C -0.252 174.686 174.700 0.397 0.000 1.011 75 T CA -0.324 61.882 62.100 0.177 0.000 1.014 75 T CB 0.995 69.934 68.868 0.120 0.000 1.293 75 T HN 0.988 nan 8.240 nan 0.000 0.554 76 T N -0.630 114.141 114.554 0.361 0.000 2.813 76 T HA 0.288 4.635 4.350 -0.005 0.000 0.297 76 T C 0.732 175.722 174.700 0.484 0.000 1.036 76 T CA -0.645 61.774 62.100 0.532 0.000 1.044 76 T CB 0.144 69.282 68.868 0.450 0.000 0.993 76 T HN 0.486 nan 8.240 nan 0.000 0.535 77 F N 1.050 121.233 119.950 0.389 0.000 2.075 77 F HA 0.218 4.744 4.527 -0.003 0.000 0.297 77 F C 0.772 176.713 175.800 0.234 0.000 1.113 77 F CA 1.089 59.247 58.000 0.263 0.000 1.218 77 F CB -0.146 39.036 39.000 0.303 0.000 0.984 77 F HN 0.402 nan 8.300 nan 0.000 0.472 78 L N -0.196 121.245 121.223 0.363 0.000 2.332 78 L HA 0.403 4.740 4.340 -0.005 0.000 0.269 78 L C 0.028 176.990 176.870 0.152 0.000 1.016 78 L CA -0.831 54.092 54.840 0.139 0.000 0.809 78 L CB 1.598 43.688 42.059 0.051 0.000 1.280 78 L HN 0.019 nan 8.230 nan 0.000 0.447 79 S N -0.856 114.898 115.700 0.090 0.000 2.568 79 S HA 0.536 5.003 4.470 -0.005 0.000 0.293 79 S C -2.474 172.172 174.600 0.078 0.000 1.089 79 S CA -1.357 56.898 58.200 0.092 0.000 0.945 79 S CB 2.207 65.442 63.200 0.058 0.000 1.077 79 S HN 0.316 nan 8.310 nan 0.000 0.485 80 P HA 0.122 nan 4.420 nan 0.000 0.229 80 P C 0.002 177.330 177.300 0.047 0.000 1.160 80 P CA 0.690 63.834 63.100 0.073 0.000 0.777 80 P CB 0.014 31.762 31.700 0.080 0.000 0.814 81 D N -1.344 119.078 120.400 0.037 0.000 2.358 81 D HA 0.046 4.683 4.640 -0.005 0.000 0.224 81 D C 0.048 176.357 176.300 0.014 0.000 1.123 81 D CA 0.431 54.444 54.000 0.022 0.000 0.833 81 D CB -0.197 40.613 40.800 0.016 0.000 0.946 81 D HN 0.121 nan 8.370 nan 0.000 0.505 82 T N 0.825 115.390 114.554 0.019 0.000 2.870 82 T HA 0.233 4.580 4.350 -0.005 0.000 0.300 82 T C 1.599 176.306 174.700 0.011 0.000 0.989 82 T CA 0.064 62.170 62.100 0.010 0.000 1.139 82 T CB 1.588 70.475 68.868 0.032 0.000 0.920 82 T HN 0.297 nan 8.240 nan 0.000 0.537 83 E N 2.613 122.811 120.200 -0.003 0.000 2.152 83 E HA -0.089 4.258 4.350 -0.005 0.000 0.192 83 E C 1.067 177.673 176.600 0.010 0.000 0.983 83 E CA 0.470 56.870 56.400 -0.000 0.000 0.818 83 E CB -0.185 29.508 29.700 -0.012 0.000 0.758 83 E HN 0.592 nan 8.360 nan 0.000 0.467 84 N N 0.591 119.300 118.700 0.015 0.000 2.405 84 N HA 0.298 5.034 4.740 -0.005 0.000 0.260 84 N C 1.100 176.662 175.510 0.087 0.000 1.152 84 N CA 0.506 53.588 53.050 0.053 0.000 0.948 84 N CB 1.116 39.636 38.487 0.056 0.000 1.111 84 N HN 0.252 nan 8.380 nan 0.000 0.485 85 A N 4.448 127.300 122.820 0.054 0.000 1.948 85 A HA -0.186 4.131 4.320 -0.005 0.000 0.220 85 A C 2.074 179.666 177.584 0.012 0.000 1.177 85 A CA 2.039 54.094 52.037 0.029 0.000 0.636 85 A CB -0.773 18.235 19.000 0.013 0.000 0.815 85 A HN 0.761 nan 8.150 nan 0.000 0.449 86 A N -2.199 120.640 122.820 0.031 0.000 2.070 86 A HA -0.008 4.309 4.320 -0.005 0.000 0.220 86 A C 1.567 178.997 177.584 -0.258 0.000 1.159 86 A CA 1.378 53.357 52.037 -0.097 0.000 0.656 86 A CB -0.528 18.421 19.000 -0.086 0.000 0.800 86 A HN 0.623 nan 8.150 nan 0.000 0.453 87 Y N -1.281 118.958 120.300 -0.102 0.000 2.636 87 Y HA 0.303 4.851 4.550 -0.004 0.000 0.260 87 Y C 0.798 176.631 175.900 -0.113 0.000 1.177 87 Y CA -0.482 57.540 58.100 -0.130 0.000 1.209 87 Y CB 0.214 38.604 38.460 -0.117 0.000 1.166 87 Y HN 0.155 nan 8.280 nan 0.000 0.531 88 R N 1.582 122.095 120.500 0.022 0.000 2.202 88 R HA 0.318 4.655 4.340 -0.005 0.000 0.334 88 R C -0.969 175.322 176.300 -0.015 0.000 1.036 88 R CA -0.689 55.420 56.100 0.016 0.000 0.878 88 R CB 0.339 30.652 30.300 0.022 0.000 1.067 88 R HN 0.147 nan 8.270 nan 0.000 0.457 89 L N 7.457 128.690 121.223 0.017 0.000 2.380 89 L HA 0.379 4.716 4.340 -0.005 0.000 0.273 89 L C -2.206 174.726 176.870 0.103 0.000 1.138 89 L CA -1.768 53.098 54.840 0.044 0.000 0.832 89 L CB 0.923 43.054 42.059 0.121 0.000 1.124 89 L HN 0.578 nan 8.230 nan 0.000 0.454 90 P HA 0.166 nan 4.420 nan 0.000 0.270 90 P C -1.180 176.351 177.300 0.384 0.000 1.223 90 P CA -0.169 63.061 63.100 0.216 0.000 0.785 90 P CB 0.673 32.485 31.700 0.188 0.000 0.923 91 S N 2.506 118.364 115.700 0.264 0.000 2.525 91 S HA 0.311 4.778 4.470 -0.005 0.000 0.290 91 S C -1.554 172.986 174.600 -0.099 0.000 1.152 91 S CA -1.032 57.236 58.200 0.113 0.000 1.072 91 S CB 0.878 64.101 63.200 0.037 0.000 1.027 91 S HN 0.347 nan 8.310 nan 0.000 0.500 92 P HA -0.057 nan 4.420 nan 0.000 0.215 92 P C -0.252 176.820 177.300 -0.380 0.000 1.157 92 P CA 0.787 63.328 63.100 -0.932 0.000 0.868 92 P CB -0.044 31.224 31.700 -0.720 0.000 0.788 93 N N -1.334 117.241 118.700 -0.209 0.000 2.696 93 N HA -0.166 4.571 4.740 -0.005 0.000 0.256 93 N C 0.996 176.448 175.510 -0.096 0.000 1.031 93 N CA 1.458 54.444 53.050 -0.106 0.000 0.730 93 N CB -1.599 36.857 38.487 -0.051 0.000 0.894 93 N HN 0.439 nan 8.380 nan 0.000 0.544 94 G N -1.925 106.807 108.800 -0.113 0.000 2.349 94 G HA2 -0.110 3.846 3.960 -0.005 0.000 0.213 94 G HA3 -0.110 3.846 3.960 -0.005 0.000 0.213 94 G C 0.282 175.124 174.900 -0.097 0.000 1.044 94 G CA 0.311 45.361 45.100 -0.082 0.000 0.633 94 G HN 1.333 nan 8.290 nan 0.000 0.506 95 A N 1.021 123.755 122.820 -0.143 0.000 2.545 95 A HA 0.485 4.802 4.320 -0.005 0.000 0.253 95 A C 0.876 178.376 177.584 -0.140 0.000 1.074 95 A CA 1.544 53.502 52.037 -0.132 0.000 0.760 95 A CB -0.208 18.672 19.000 -0.200 0.000 1.005 95 A HN 1.510 nan 8.150 nan 0.000 0.506 96 N N 0.586 119.244 118.700 -0.070 0.000 2.232 96 N HA 0.101 4.838 4.740 -0.005 0.000 0.240 96 N C -1.004 174.489 175.510 -0.029 0.000 1.307 96 N CA -0.263 52.749 53.050 -0.062 0.000 0.859 96 N CB 0.529 38.984 38.487 -0.053 0.000 1.260 96 N HN 0.422 nan 8.380 nan 0.000 0.501 97 D N 0.733 121.131 120.400 -0.003 0.000 2.485 97 D HA 0.465 5.102 4.640 -0.005 0.000 0.229 97 D C 0.942 177.258 176.300 0.028 0.000 1.101 97 D CA -0.406 53.602 54.000 0.013 0.000 0.906 97 D CB 1.235 42.049 40.800 0.023 0.000 1.019 97 D HN 0.243 nan 8.370 nan 0.000 0.516 98 A N 4.554 127.389 122.820 0.026 0.000 1.940 98 A HA -0.205 4.112 4.320 -0.005 0.000 0.219 98 A C 2.126 179.751 177.584 0.070 0.000 1.176 98 A CA 1.364 53.450 52.037 0.082 0.000 0.631 98 A CB -0.297 18.750 19.000 0.077 0.000 0.814 98 A HN 0.594 nan 8.150 nan 0.000 0.446 99 R N -0.945 119.467 120.500 -0.147 0.000 2.083 99 R HA -0.184 4.153 4.340 -0.005 0.000 0.237 99 R C 2.089 178.265 176.300 -0.208 0.000 1.137 99 R CA 1.792 57.526 56.100 -0.610 0.000 0.951 99 R CB -0.220 29.731 30.300 -0.582 0.000 0.851 99 R HN 0.484 nan 8.270 nan 0.000 0.434 100 Q N -0.303 119.477 119.800 -0.033 0.000 2.245 100 Q HA 0.006 4.343 4.340 -0.005 0.000 0.201 100 Q C 1.945 177.994 176.000 0.083 0.000 0.955 100 Q CA 1.272 57.141 55.803 0.110 0.000 0.870 100 Q CB -0.051 28.783 28.738 0.160 0.000 0.945 100 Q HN 0.438 nan 8.270 nan 0.000 0.461 101 A N 0.405 123.267 122.820 0.070 0.000 1.873 101 A HA -0.109 4.207 4.320 -0.005 0.000 0.215 101 A C 2.417 179.970 177.584 -0.050 0.000 1.186 101 A CA 1.443 53.525 52.037 0.075 0.000 0.616 101 A CB -0.674 18.456 19.000 0.217 0.000 0.823 101 A HN 0.190 nan 8.150 nan 0.000 0.442 102 V N -0.057 119.870 119.914 0.022 0.000 2.343 102 V HA -0.248 3.868 4.120 -0.005 0.000 0.247 102 V C 3.067 178.968 176.094 -0.321 0.000 1.051 102 V CA 1.928 64.219 62.300 -0.015 0.000 1.036 102 V CB -1.219 30.785 31.823 0.301 0.000 0.654 102 V HN 0.622 nan 8.190 nan 0.000 0.451 103 A N 0.492 123.163 122.820 -0.249 0.000 1.883 103 A HA -0.134 4.183 4.320 -0.005 0.000 0.217 103 A C 2.435 179.624 177.584 -0.658 0.000 1.186 103 A CA 2.105 53.887 52.037 -0.425 0.000 0.624 103 A CB -1.312 17.809 19.000 0.201 0.000 0.822 103 A HN 0.529 nan 8.150 nan 0.000 0.444 104 G N -0.648 107.674 108.800 -0.796 0.000 2.418 104 G HA2 -0.001 3.956 3.960 -0.005 0.000 0.217 104 G HA3 -0.001 3.956 3.960 -0.005 0.000 0.217 104 G C 1.767 176.203 174.900 -0.774 0.000 1.158 104 G CA 1.595 45.857 45.100 -1.396 0.000 0.771 104 G HN 0.816 nan 8.290 nan 0.000 0.545 105 A N 1.258 123.750 122.820 -0.546 0.000 1.858 105 A HA 0.240 4.557 4.320 -0.005 0.000 0.216 105 A C 2.857 180.196 177.584 -0.408 0.000 1.190 105 A CA 2.484 54.284 52.037 -0.395 0.000 0.617 105 A CB -0.975 17.853 19.000 -0.287 0.000 0.827 105 A HN 0.827 nan 8.150 nan 0.000 0.443 106 A N -0.394 122.092 122.820 -0.558 0.000 1.858 106 A HA -0.076 4.240 4.320 -0.005 0.000 0.216 106 A C 2.226 179.515 177.584 -0.491 0.000 1.190 106 A CA 1.592 53.274 52.037 -0.591 0.000 0.617 106 A CB -0.705 17.675 19.000 -1.033 0.000 0.827 106 A HN 0.469 nan 8.150 nan 0.000 0.443 107 L N -1.014 119.844 121.223 -0.608 0.000 2.046 107 L HA -0.180 4.157 4.340 -0.005 0.000 0.208 107 L C 2.734 179.496 176.870 -0.180 0.000 1.077 107 L CA 1.419 56.088 54.840 -0.285 0.000 0.747 107 L CB -0.370 41.605 42.059 -0.139 0.000 0.896 107 L HN 0.295 nan 8.230 nan 0.000 0.432 108 K N -0.211 120.036 120.400 -0.256 0.000 2.001 108 K HA -0.197 4.120 4.320 -0.005 0.000 0.208 108 K C 2.091 178.578 176.600 -0.189 0.000 1.048 108 K CA 1.632 57.795 56.287 -0.207 0.000 0.932 108 K CB -0.301 32.054 32.500 -0.241 0.000 0.715 108 K HN 0.077 nan 8.250 nan 0.000 0.437 109 M N 1.186 120.685 119.600 -0.169 0.000 2.065 109 M HA -0.128 4.349 4.480 -0.005 0.000 0.259 109 M C 1.982 178.254 176.300 -0.048 0.000 1.069 109 M CA 1.528 56.771 55.300 -0.094 0.000 1.110 109 M CB -0.574 31.985 32.600 -0.068 0.000 1.328 109 M HN 0.110 nan 8.290 nan 0.000 0.405 110 L N -1.095 120.123 121.223 -0.010 0.000 2.083 110 L HA -0.210 4.127 4.340 -0.005 0.000 0.209 110 L C 2.297 179.249 176.870 0.136 0.000 1.083 110 L CA 1.312 56.231 54.840 0.130 0.000 0.752 110 L CB -0.915 41.221 42.059 0.128 0.000 0.899 110 L HN 0.317 nan 8.230 nan 0.000 0.433 111 S N -0.691 115.020 115.700 0.018 0.000 2.368 111 S HA -0.144 4.323 4.470 -0.005 0.000 0.224 111 S C 2.209 176.757 174.600 -0.087 0.000 1.029 111 S CA 1.452 59.652 58.200 -0.001 0.000 0.988 111 S CB -0.095 63.084 63.200 -0.034 0.000 0.838 111 S HN 0.344 nan 8.310 nan 0.000 0.462 112 S N 1.719 117.264 115.700 -0.259 0.000 2.382 112 S HA 0.060 4.527 4.470 -0.005 0.000 0.228 112 S C 1.797 176.190 174.600 -0.345 0.000 1.027 112 S CA 0.854 58.708 58.200 -0.577 0.000 0.991 112 S CB -0.374 62.028 63.200 -1.330 0.000 0.823 112 S HN 0.341 nan 8.310 nan 0.000 0.469 113 L N -0.817 120.333 121.223 -0.121 0.000 2.044 113 L HA -0.059 4.278 4.340 -0.005 0.000 0.205 113 L C 1.907 178.647 176.870 -0.216 0.000 1.075 113 L CA 1.404 56.205 54.840 -0.064 0.000 0.747 113 L CB -0.392 41.569 42.059 -0.164 0.000 0.903 113 L HN 0.340 nan 8.230 nan 0.000 0.435 114 Y N -1.981 118.358 120.300 0.065 0.000 2.478 114 Y HA 0.171 4.718 4.550 -0.005 0.000 0.261 114 Y C 1.049 177.058 175.900 0.182 0.000 1.127 114 Y CA -0.407 57.752 58.100 0.098 0.000 1.288 114 Y CB 0.227 38.720 38.460 0.055 0.000 1.084 114 Y HN 0.025 nan 8.280 nan 0.000 0.530 115 M N 0.736 120.466 119.600 0.216 0.000 2.288 115 M HA 0.139 4.616 4.480 -0.005 0.000 0.334 115 M C 0.262 176.556 176.300 -0.010 0.000 1.150 115 M CA -0.957 54.422 55.300 0.133 0.000 1.118 115 M CB 0.553 33.170 32.600 0.027 0.000 1.501 115 M HN -0.034 nan 8.290 nan 0.000 0.462 116 K N 2.895 123.056 120.400 -0.398 0.000 2.473 116 K HA -0.030 4.286 4.320 -0.005 0.000 0.277 116 K C -1.997 174.441 176.600 -0.269 0.000 1.052 116 K CA -0.630 55.216 56.287 -0.735 0.000 1.114 116 K CB 0.079 32.024 32.500 -0.926 0.000 0.869 116 K HN 0.248 nan 8.250 nan 0.000 0.481 117 P HA -0.010 nan 4.420 nan 0.000 0.241 117 P C 0.308 177.573 177.300 -0.059 0.000 1.760 117 P CA -0.113 62.961 63.100 -0.043 0.000 1.081 117 P CB 0.356 32.071 31.700 0.025 0.000 1.975 118 V N 0.733 120.596 119.914 -0.084 0.000 2.568 118 V HA -0.234 3.882 4.120 -0.005 0.000 0.253 118 V C 1.884 177.957 176.094 -0.035 0.000 1.072 118 V CA 2.276 64.535 62.300 -0.068 0.000 1.084 118 V CB -1.590 30.189 31.823 -0.072 0.000 0.676 118 V HN 0.435 nan 8.190 nan 0.000 0.469 119 E N -0.269 119.918 120.200 -0.021 0.000 2.323 119 E HA 0.376 4.723 4.350 -0.005 0.000 0.313 119 E C 1.278 177.880 176.600 0.003 0.000 1.236 119 E CA 1.514 57.911 56.400 -0.005 0.000 1.333 119 E CB -1.266 28.438 29.700 0.007 0.000 1.138 119 E HN 0.921 nan 8.360 nan 0.000 0.492 120 Q N -1.767 118.031 119.800 -0.002 0.000 2.451 120 Q HA -0.370 3.967 4.340 -0.005 0.000 0.176 120 Q C 0.942 176.947 176.000 0.008 0.000 2.730 120 Q CA 2.890 58.694 55.803 0.002 0.000 0.574 120 Q CB -3.318 25.423 28.738 0.005 0.000 0.548 120 Q HN 1.416 nan 8.270 nan 0.000 0.607 121 P HA -0.089 nan 4.420 nan 0.000 0.221 121 P C 1.307 178.623 177.300 0.026 0.000 1.141 121 P CA 3.285 66.400 63.100 0.025 0.000 0.794 121 P CB -1.821 29.904 31.700 0.040 0.000 0.764 122 N N -1.223 117.486 118.700 0.014 0.000 2.205 122 N HA 0.092 4.829 4.740 -0.005 0.000 0.186 122 N C 0.075 175.601 175.510 0.026 0.000 1.015 122 N CA 1.414 54.474 53.050 0.017 0.000 0.862 122 N CB -1.948 36.532 38.487 -0.012 0.000 0.986 122 N HN 0.584 nan 8.380 nan 0.000 0.429 123 P HA 0.454 nan 4.420 nan 0.000 0.279 123 P C 0.841 178.154 177.300 0.021 0.000 1.239 123 P CA 1.399 64.510 63.100 0.017 0.000 0.789 123 P CB -0.057 31.650 31.700 0.012 0.000 0.933 124 N N -0.014 118.698 118.700 0.020 0.000 3.078 124 N HA -0.322 4.415 4.740 -0.005 0.000 0.221 124 N C 0.726 176.251 175.510 0.025 0.000 0.163 124 N CA 3.017 56.080 53.050 0.022 0.000 3.866 124 N CB -2.912 35.588 38.487 0.022 0.000 1.005 124 N HN 0.737 nan 8.380 nan 0.000 0.246 125 P HA 0.286 nan 4.420 nan 0.000 0.212 125 P C 1.903 179.225 177.300 0.038 0.000 1.180 125 P CA 3.838 66.956 63.100 0.031 0.000 0.906 125 P CB -0.894 30.824 31.700 0.030 0.000 0.782 126 G N -1.546 107.287 108.800 0.055 0.000 2.880 126 G HA2 0.339 4.295 3.960 -0.005 0.000 0.209 126 G HA3 0.339 4.295 3.960 -0.005 0.000 0.209 126 G C 0.948 175.899 174.900 0.084 0.000 1.157 126 G CA 0.855 46.011 45.100 0.092 0.000 0.779 126 G HN 0.670 nan 8.290 nan 0.000 0.539 127 A N 0.053 122.902 122.820 0.049 0.000 3.030 127 A HA 0.509 4.826 4.320 -0.005 0.000 0.273 127 A C 1.152 178.741 177.584 0.009 0.000 1.841 127 A CA 0.992 53.049 52.037 0.034 0.000 1.479 127 A CB -1.295 17.717 19.000 0.021 0.000 1.048 127 A HN 0.858 nan 8.150 nan 0.000 0.612 128 N N 0.591 119.297 118.700 0.010 0.000 1.912 128 N HA 0.145 4.882 4.740 -0.005 0.000 0.255 128 N C -0.076 175.412 175.510 -0.037 0.000 1.405 128 N CA 0.106 53.136 53.050 -0.033 0.000 0.728 128 N CB -0.543 37.906 38.487 -0.063 0.000 1.236 128 N HN 0.421 nan 8.380 nan 0.000 0.600 129 I N 2.741 123.305 120.570 -0.010 0.000 2.359 129 I HA 0.451 4.618 4.170 -0.005 0.000 0.294 129 I C 1.040 177.148 176.117 -0.015 0.000 0.987 129 I CA -0.872 60.380 61.300 -0.080 0.000 1.225 129 I CB 1.883 39.753 38.000 -0.216 0.000 1.366 129 I HN 0.447 nan 8.210 nan 0.000 0.466 130 S N 3.276 118.945 115.700 -0.052 0.000 2.600 130 S HA 0.111 4.578 4.470 -0.005 0.000 0.265 130 S C 0.622 175.270 174.600 0.081 0.000 1.325 130 S CA -0.558 57.648 58.200 0.011 0.000 1.002 130 S CB 1.028 64.221 63.200 -0.012 0.000 0.921 130 S HN 0.583 nan 8.310 nan 0.000 0.554 131 D N 0.739 121.213 120.400 0.124 0.000 2.178 131 D HA -0.121 4.516 4.640 -0.005 0.000 0.202 131 D C 1.730 178.110 176.300 0.133 0.000 0.974 131 D CA 0.815 54.927 54.000 0.185 0.000 0.841 131 D CB -0.527 40.338 40.800 0.108 0.000 0.953 131 D HN 0.715 nan 8.370 nan 0.000 0.478 132 N N 1.061 119.797 118.700 0.060 0.000 2.120 132 N HA -0.166 4.571 4.740 -0.005 0.000 0.188 132 N C 1.781 177.298 175.510 0.011 0.000 1.024 132 N CA 1.290 54.360 53.050 0.032 0.000 0.852 132 N CB 0.150 38.644 38.487 0.011 0.000 1.003 132 N HN 0.032 nan 8.380 nan 0.000 0.424 133 A N 0.498 123.291 122.820 -0.046 0.000 1.883 133 A HA -0.182 4.135 4.320 -0.005 0.000 0.217 133 A C 1.914 179.425 177.584 -0.121 0.000 1.186 133 A CA 1.292 53.248 52.037 -0.135 0.000 0.624 133 A CB -1.153 17.686 19.000 -0.268 0.000 0.822 133 A HN 0.456 nan 8.150 nan 0.000 0.444 134 Y N -0.121 120.190 120.300 0.017 0.000 2.224 134 Y HA -0.063 4.484 4.550 -0.006 0.000 0.289 134 Y C 2.921 178.831 175.900 0.017 0.000 1.146 134 Y CA 0.699 58.814 58.100 0.025 0.000 1.182 134 Y CB -0.726 37.747 38.460 0.022 0.000 0.983 134 Y HN 0.335 nan 8.280 nan 0.000 0.524 135 A N -0.068 122.848 122.820 0.160 0.000 1.877 135 A HA -0.217 4.100 4.320 -0.005 0.000 0.216 135 A C 2.183 179.800 177.584 0.055 0.000 1.186 135 A CA 1.660 53.751 52.037 0.091 0.000 0.620 135 A CB -0.547 18.492 19.000 0.065 0.000 0.822 135 A HN 0.356 nan 8.150 nan 0.000 0.443 136 Q N -0.284 119.536 119.800 0.032 0.000 2.084 136 Q HA -0.091 4.245 4.340 -0.005 0.000 0.202 136 Q C 2.199 178.197 176.000 -0.004 0.000 0.978 136 Q CA 1.291 57.098 55.803 0.008 0.000 0.844 136 Q CB -0.493 28.241 28.738 -0.007 0.000 0.898 136 Q HN 0.726 nan 8.270 nan 0.000 0.426 137 L N -0.274 120.948 121.223 -0.001 0.000 2.093 137 L HA -0.102 4.235 4.340 -0.005 0.000 0.208 137 L C 2.401 179.278 176.870 0.011 0.000 1.085 137 L CA 1.169 55.994 54.840 -0.025 0.000 0.755 137 L CB -0.850 41.212 42.059 0.004 0.000 0.904 137 L HN 0.266 nan 8.230 nan 0.000 0.435 138 G N 0.083 108.918 108.800 0.059 0.000 2.418 138 G HA2 -0.220 3.737 3.960 -0.005 0.000 0.217 138 G HA3 -0.220 3.737 3.960 -0.005 0.000 0.217 138 G C 1.647 176.572 174.900 0.042 0.000 1.158 138 G CA 0.535 45.672 45.100 0.061 0.000 0.771 138 G HN 0.207 nan 8.290 nan 0.000 0.545 139 L N 0.170 121.411 121.223 0.030 0.000 2.013 139 L HA -0.154 4.183 4.340 -0.005 0.000 0.212 139 L C 3.049 179.932 176.870 0.021 0.000 1.073 139 L CA 0.819 55.674 54.840 0.025 0.000 0.753 139 L CB -0.534 41.535 42.059 0.016 0.000 0.890 139 L HN 0.116 nan 8.230 nan 0.000 0.432 140 V N 0.002 119.915 119.914 -0.002 0.000 2.255 140 V HA -0.331 3.786 4.120 -0.005 0.000 0.247 140 V C 2.390 178.494 176.094 0.017 0.000 1.051 140 V CA 1.923 64.210 62.300 -0.020 0.000 1.018 140 V CB -0.456 31.316 31.823 -0.085 0.000 0.641 140 V HN 0.337 nan 8.190 nan 0.000 0.445 141 L N -0.256 120.986 121.223 0.033 0.000 2.012 141 L HA -0.207 4.130 4.340 -0.005 0.000 0.210 141 L C 2.473 179.418 176.870 0.125 0.000 1.073 141 L CA 1.745 56.642 54.840 0.095 0.000 0.748 141 L CB -0.794 41.320 42.059 0.091 0.000 0.891 141 L HN 0.358 nan 8.230 nan 0.000 0.431 142 D N 0.084 120.538 120.400 0.089 0.000 2.092 142 D HA -0.214 4.423 4.640 -0.005 0.000 0.193 142 D C 2.189 178.546 176.300 0.094 0.000 0.994 142 D CA 1.683 55.734 54.000 0.086 0.000 0.828 142 D CB -0.230 40.605 40.800 0.058 0.000 0.963 142 D HN 0.438 nan 8.370 nan 0.000 0.450 143 R N 0.586 121.135 120.500 0.081 0.000 2.189 143 R HA 0.084 4.421 4.340 -0.005 0.000 0.218 143 R C 2.064 178.440 176.300 0.127 0.000 1.074 143 R CA 1.006 57.156 56.100 0.083 0.000 0.991 143 R CB -0.376 29.961 30.300 0.062 0.000 0.883 143 R HN -0.102 nan 8.270 nan 0.000 0.457 144 S N 1.105 116.904 115.700 0.165 0.000 2.382 144 S HA -0.079 4.388 4.470 -0.005 0.000 0.228 144 S C 2.025 176.805 174.600 0.299 0.000 1.027 144 S CA 1.313 59.673 58.200 0.268 0.000 0.991 144 S CB -0.152 63.174 63.200 0.210 0.000 0.823 144 S HN 0.157 nan 8.310 nan 0.000 0.469 145 V N 2.193 122.275 119.914 0.280 0.000 2.332 145 V HA -0.170 3.947 4.120 -0.005 0.000 0.248 145 V C 2.049 178.218 176.094 0.125 0.000 1.055 145 V CA 1.581 64.041 62.300 0.267 0.000 1.038 145 V CB -0.715 31.231 31.823 0.205 0.000 0.651 145 V HN 0.459 nan 8.190 nan 0.000 0.450 146 L N -0.548 120.725 121.223 0.084 0.000 2.291 146 L HA -0.065 4.271 4.340 -0.005 0.000 0.214 146 L C 2.221 179.079 176.870 -0.020 0.000 1.120 146 L CA 1.179 56.036 54.840 0.028 0.000 0.799 146 L CB -0.462 41.616 42.059 0.032 0.000 0.925 146 L HN 0.402 nan 8.230 nan 0.000 0.446 147 E N 0.493 120.683 120.200 -0.018 0.000 2.452 147 E HA 0.171 4.518 4.350 -0.005 0.000 0.197 147 E C 0.888 177.162 176.600 -0.544 0.000 1.022 147 E CA -0.060 56.271 56.400 -0.114 0.000 0.890 147 E CB 0.300 30.058 29.700 0.095 0.000 0.918 147 E HN 0.352 nan 8.360 nan 0.000 0.496 148 A N 3.919 126.321 122.820 -0.697 0.000 2.566 148 A HA 0.062 4.379 4.320 -0.005 0.000 0.245 148 A C -2.075 175.114 177.584 -0.657 0.000 1.056 148 A CA -0.918 50.414 52.037 -1.175 0.000 0.757 148 A CB -0.348 18.416 19.000 -0.392 0.000 0.979 148 A HN -0.041 nan 8.150 nan 0.000 0.508 149 P HA 0.196 nan 4.420 nan 0.000 0.267 149 P C 0.887 178.112 177.300 -0.125 0.000 1.209 149 P CA 1.344 64.283 63.100 -0.269 0.000 0.763 149 P CB 0.774 32.380 31.700 -0.156 0.000 0.816 150 G N 2.250 111.000 108.800 -0.083 0.000 2.176 150 G HA2 -0.024 3.932 3.960 -0.005 0.000 0.253 150 G HA3 -0.024 3.932 3.960 -0.005 0.000 0.253 150 G C 0.515 175.391 174.900 -0.039 0.000 0.979 150 G CA 0.319 45.394 45.100 -0.042 0.000 0.641 150 G HN 1.037 nan 8.290 nan 0.000 0.530 151 G N -2.342 106.424 108.800 -0.057 0.000 2.814 151 G HA2 0.225 4.182 3.960 -0.005 0.000 0.677 151 G HA3 0.225 4.182 3.960 -0.005 0.000 0.677 151 G C -0.371 174.548 174.900 0.032 0.000 1.429 151 G CA 0.037 45.122 45.100 -0.024 0.000 0.868 151 G HN 1.570 nan 8.290 nan 0.000 0.553 152 V N 1.267 121.209 119.914 0.047 0.000 2.376 152 V HA 0.482 4.599 4.120 -0.005 0.000 0.287 152 V C -0.372 175.674 176.094 -0.079 0.000 1.015 152 V CA -0.210 62.134 62.300 0.074 0.000 0.834 152 V CB 1.720 33.657 31.823 0.189 0.000 1.001 152 V HN 0.863 nan 8.190 nan 0.000 0.428 153 D N 4.146 124.481 120.400 -0.108 0.000 2.479 153 D HA 0.260 4.896 4.640 -0.005 0.000 0.218 153 D C 1.277 177.318 176.300 -0.431 0.000 1.131 153 D CA -0.380 53.510 54.000 -0.183 0.000 0.916 153 D CB 0.746 41.500 40.800 -0.076 0.000 1.022 153 D HN 0.395 nan 8.370 nan 0.000 0.515 154 R N 1.715 121.812 120.500 -0.671 0.000 2.293 154 R HA -0.069 4.268 4.340 -0.005 0.000 0.219 154 R C 1.096 177.127 176.300 -0.449 0.000 1.091 154 R CA 0.920 56.374 56.100 -1.077 0.000 1.004 154 R CB 0.330 30.204 30.300 -0.710 0.000 0.865 154 R HN 0.523 nan 8.270 nan 0.000 0.469 155 E N 0.512 120.574 120.200 -0.230 0.000 2.385 155 E HA -0.021 4.326 4.350 -0.005 0.000 0.194 155 E C 0.337 176.930 176.600 -0.012 0.000 1.013 155 E CA 0.186 56.536 56.400 -0.083 0.000 0.866 155 E CB 0.319 29.981 29.700 -0.064 0.000 0.832 155 E HN 0.213 nan 8.360 nan 0.000 0.500 156 S N 0.468 116.168 115.700 0.001 0.000 2.568 156 S HA 0.204 4.670 4.470 -0.005 0.000 0.282 156 S C 1.212 175.890 174.600 0.130 0.000 1.338 156 S CA -0.028 58.212 58.200 0.067 0.000 1.045 156 S CB 1.671 64.920 63.200 0.082 0.000 0.873 156 S HN 0.167 nan 8.310 nan 0.000 0.516 157 A N 3.210 126.089 122.820 0.098 0.000 1.902 157 A HA -0.025 4.291 4.320 -0.005 0.000 0.217 157 A C 2.398 180.080 177.584 0.163 0.000 1.181 157 A CA 1.767 53.869 52.037 0.109 0.000 0.623 157 A CB -1.467 17.568 19.000 0.058 0.000 0.818 157 A HN 0.873 nan 8.150 nan 0.000 0.443 158 S N -1.053 114.738 115.700 0.151 0.000 2.370 158 S HA -0.159 4.308 4.470 -0.005 0.000 0.226 158 S C 1.666 176.412 174.600 0.243 0.000 1.033 158 S CA 1.523 59.838 58.200 0.192 0.000 1.011 158 S CB -0.543 62.733 63.200 0.127 0.000 0.852 158 S HN 0.628 nan 8.310 nan 0.000 0.457 159 F N 2.209 122.200 119.950 0.069 0.000 2.075 159 F HA -0.123 4.402 4.527 -0.005 0.000 0.297 159 F C 2.215 178.032 175.800 0.030 0.000 1.113 159 F CA 1.530 59.547 58.000 0.029 0.000 1.218 159 F CB -0.380 38.626 39.000 0.009 0.000 0.984 159 F HN 0.103 nan 8.300 nan 0.000 0.472 160 M N -0.965 118.813 119.600 0.297 0.000 2.202 160 M HA -0.186 4.291 4.480 -0.005 0.000 0.262 160 M C 2.140 178.490 176.300 0.084 0.000 1.063 160 M CA 1.687 57.092 55.300 0.175 0.000 1.097 160 M CB -0.774 31.938 32.600 0.187 0.000 1.382 160 M HN 0.345 nan 8.290 nan 0.000 0.413 161 F N 1.176 121.124 119.950 -0.003 0.000 2.113 161 F HA -0.008 4.515 4.527 -0.006 0.000 0.297 161 F C 2.201 177.970 175.800 -0.052 0.000 1.103 161 F CA 1.714 59.706 58.000 -0.014 0.000 1.248 161 F CB -1.033 37.969 39.000 0.003 0.000 0.999 161 F HN 0.065 nan 8.300 nan 0.000 0.475 162 G N 0.063 108.663 108.800 -0.332 0.000 2.469 162 G HA2 -0.293 3.664 3.960 -0.005 0.000 0.219 162 G HA3 -0.293 3.664 3.960 -0.005 0.000 0.219 162 G C 1.541 176.178 174.900 -0.439 0.000 1.150 162 G CA 1.029 45.847 45.100 -0.469 0.000 0.763 162 G HN 0.506 nan 8.290 nan 0.000 0.561 163 E N 0.126 120.087 120.200 -0.399 0.000 2.085 163 E HA -0.162 4.185 4.350 -0.005 0.000 0.194 163 E C 2.157 178.634 176.600 -0.205 0.000 0.994 163 E CA 1.002 57.223 56.400 -0.299 0.000 0.801 163 E CB -0.141 29.428 29.700 -0.218 0.000 0.743 163 E HN 0.296 nan 8.360 nan 0.000 0.453 164 D N 0.435 120.718 120.400 -0.195 0.000 2.104 164 D HA -0.136 4.501 4.640 -0.005 0.000 0.194 164 D C 2.005 178.207 176.300 -0.163 0.000 0.994 164 D CA 0.736 54.653 54.000 -0.139 0.000 0.830 164 D CB -0.019 40.731 40.800 -0.083 0.000 0.959 164 D HN -0.037 nan 8.370 nan 0.000 0.452 165 V N 1.119 120.855 119.914 -0.297 0.000 2.287 165 V HA -0.270 3.847 4.120 -0.005 0.000 0.248 165 V C 2.655 178.786 176.094 0.063 0.000 1.053 165 V CA 1.999 64.206 62.300 -0.155 0.000 1.027 165 V CB -0.973 30.692 31.823 -0.262 0.000 0.646 165 V HN 0.289 nan 8.190 nan 0.000 0.447 166 A N -0.322 122.481 122.820 -0.029 0.000 1.933 166 A HA -0.256 4.061 4.320 -0.005 0.000 0.218 166 A C 1.997 179.632 177.584 0.086 0.000 1.175 166 A CA 1.987 54.044 52.037 0.033 0.000 0.628 166 A CB -0.632 18.306 19.000 -0.102 0.000 0.814 166 A HN 0.549 nan 8.150 nan 0.000 0.444 167 D N -0.173 120.233 120.400 0.010 0.000 2.123 167 D HA -0.119 4.518 4.640 -0.005 0.000 0.196 167 D C 2.110 178.446 176.300 0.060 0.000 0.992 167 D CA 1.532 55.554 54.000 0.036 0.000 0.833 167 D CB -0.471 40.321 40.800 -0.013 0.000 0.954 167 D HN 0.228 nan 8.370 nan 0.000 0.455 168 V N 0.583 120.489 119.914 -0.014 0.000 2.261 168 V HA -0.245 3.872 4.120 -0.005 0.000 0.246 168 V C 2.248 178.244 176.094 -0.162 0.000 1.047 168 V CA 1.422 63.645 62.300 -0.128 0.000 1.015 168 V CB -0.659 31.022 31.823 -0.237 0.000 0.642 168 V HN 0.065 nan 8.190 nan 0.000 0.446 169 F N -0.851 119.073 119.950 -0.043 0.000 2.171 169 F HA -0.135 4.389 4.527 -0.005 0.000 0.300 169 F C 2.138 177.900 175.800 -0.062 0.000 1.090 169 F CA 1.884 59.838 58.000 -0.076 0.000 1.293 169 F CB -0.689 38.269 39.000 -0.071 0.000 1.013 169 F HN 0.112 nan 8.300 nan 0.000 0.486 170 F N 0.684 120.672 119.950 0.064 0.000 2.075 170 F HA -0.155 4.369 4.527 -0.006 0.000 0.297 170 F C 2.394 178.177 175.800 -0.029 0.000 1.113 170 F CA 1.433 59.438 58.000 0.008 0.000 1.218 170 F CB -0.817 38.177 39.000 -0.010 0.000 0.984 170 F HN -0.095 nan 8.300 nan 0.000 0.472 171 A N -0.007 122.835 122.820 0.036 0.000 1.940 171 A HA -0.171 4.146 4.320 -0.005 0.000 0.219 171 A C 2.076 179.554 177.584 -0.177 0.000 1.176 171 A CA 1.844 53.837 52.037 -0.072 0.000 0.631 171 A CB -1.158 17.837 19.000 -0.008 0.000 0.814 171 A HN 0.520 nan 8.150 nan 0.000 0.446 172 L N -0.872 120.231 121.223 -0.200 0.000 2.049 172 L HA 0.084 4.421 4.340 -0.005 0.000 0.203 172 L C 1.985 178.716 176.870 -0.233 0.000 1.074 172 L CA 1.737 56.417 54.840 -0.267 0.000 0.749 172 L CB -0.264 41.559 42.059 -0.393 0.000 0.907 172 L HN 0.346 nan 8.230 nan 0.000 0.439 173 L N -0.839 120.252 121.223 -0.219 0.000 2.554 173 L HA 0.114 4.451 4.340 -0.005 0.000 0.225 173 L C 0.880 177.674 176.870 -0.127 0.000 1.104 173 L CA -0.130 54.600 54.840 -0.183 0.000 0.866 173 L CB -0.481 41.375 42.059 -0.339 0.000 1.047 173 L HN 0.308 nan 8.230 nan 0.000 0.468 174 N N 1.374 119.880 118.700 -0.323 0.000 2.458 174 N HA -0.088 4.649 4.740 -0.005 0.000 0.258 174 N C -0.849 174.534 175.510 -0.211 0.000 1.219 174 N CA 0.333 53.139 53.050 -0.406 0.000 0.902 174 N CB 0.665 38.520 38.487 -1.052 0.000 1.076 174 N HN -0.019 nan 8.380 nan 0.000 0.455 175 D N 4.780 125.122 120.400 -0.096 0.000 2.432 175 D HA 0.243 4.880 4.640 -0.005 0.000 0.265 175 D C -1.400 174.885 176.300 -0.025 0.000 1.160 175 D CA -1.880 52.107 54.000 -0.020 0.000 0.911 175 D CB 1.209 42.067 40.800 0.097 0.000 1.052 175 D HN 0.435 nan 8.370 nan 0.000 0.508 176 P HA -0.132 nan 4.420 nan 0.000 0.216 176 P C 0.690 177.990 177.300 0.001 0.000 1.153 176 P CA 0.690 63.778 63.100 -0.020 0.000 0.858 176 P CB 0.443 32.135 31.700 -0.015 0.000 0.789 177 R N -0.334 120.173 120.500 0.011 0.000 2.568 177 R HA 0.228 4.564 4.340 -0.005 0.000 0.288 177 R C 2.138 178.470 176.300 0.053 0.000 1.077 177 R CA 0.205 56.322 56.100 0.028 0.000 1.102 177 R CB -0.406 29.909 30.300 0.025 0.000 1.278 177 R HN 0.204 nan 8.270 nan 0.000 0.560 178 G N 1.315 110.148 108.800 0.054 0.000 2.476 178 G HA2 -0.310 3.647 3.960 -0.005 0.000 0.218 178 G HA3 -0.310 3.647 3.960 -0.005 0.000 0.218 178 G C 1.194 176.093 174.900 -0.003 0.000 1.164 178 G CA 0.889 46.059 45.100 0.117 0.000 0.768 178 G HN 0.396 nan 8.290 nan 0.000 0.560 179 A N -0.048 122.710 122.820 -0.103 0.000 2.327 179 A HA 0.544 4.861 4.320 -0.005 0.000 0.228 179 A C 1.273 178.830 177.584 -0.044 0.000 1.275 179 A CA 0.499 52.438 52.037 -0.163 0.000 0.875 179 A CB -0.296 18.607 19.000 -0.161 0.000 0.925 179 A HN 0.319 nan 8.150 nan 0.000 0.493 180 S N 0.064 115.790 115.700 0.043 0.000 2.549 180 S HA 0.188 4.655 4.470 -0.005 0.000 0.283 180 S C 1.064 175.763 174.600 0.164 0.000 1.320 180 S CA 0.295 58.570 58.200 0.126 0.000 1.058 180 S CB 0.413 63.707 63.200 0.157 0.000 0.882 180 S HN 0.678 nan 8.310 nan 0.000 0.498 181 Q N 2.200 122.113 119.800 0.188 0.000 2.164 181 Q HA 0.327 4.664 4.340 -0.005 0.000 0.226 181 Q C 0.066 176.271 176.000 0.342 0.000 0.813 181 Q CA -0.391 55.509 55.803 0.161 0.000 0.978 181 Q CB 0.009 28.846 28.738 0.166 0.000 1.149 181 Q HN 0.755 nan 8.270 nan 0.000 0.489 182 E N 0.852 121.246 120.200 0.323 0.000 2.493 182 E HA 0.122 4.469 4.350 -0.005 0.000 0.255 182 E C 0.446 177.191 176.600 0.241 0.000 0.999 182 E CA 1.316 57.855 56.400 0.231 0.000 0.934 182 E CB -0.064 29.723 29.700 0.145 0.000 0.940 182 E HN 0.535 nan 8.360 nan 0.000 0.473 183 G N 3.604 112.503 108.800 0.166 0.000 2.234 183 G HA2 -0.336 3.621 3.960 -0.005 0.000 0.235 183 G HA3 -0.336 3.621 3.960 -0.005 0.000 0.235 183 G C -0.284 174.702 174.900 0.144 0.000 0.997 183 G CA 0.250 45.442 45.100 0.153 0.000 0.623 183 G HN 0.646 nan 8.290 nan 0.000 0.514 184 Y N 3.064 123.375 120.300 0.019 0.000 2.299 184 Y HA 0.706 5.253 4.550 -0.005 0.000 0.326 184 Y C 0.163 175.690 175.900 -0.622 0.000 1.164 184 Y CA -0.422 57.582 58.100 -0.160 0.000 1.234 184 Y CB 0.804 39.059 38.460 -0.341 0.000 1.219 184 Y HN 0.283 nan 8.280 nan 0.000 0.497 185 H N 4.758 123.071 119.070 -1.262 0.000 3.086 185 H HA 0.255 4.808 4.556 -0.005 0.000 0.353 185 H C -2.654 172.042 175.328 -1.053 0.000 1.134 185 H CA -1.749 53.753 56.048 -0.909 0.000 1.248 185 H CB 1.819 31.385 29.762 -0.327 0.000 1.878 185 H HN 0.536 nan 8.280 nan 0.000 0.527 186 P HA 0.087 nan 4.420 nan 0.000 0.270 186 P C -0.248 177.029 177.300 -0.037 0.000 1.223 186 P CA -0.068 62.973 63.100 -0.098 0.000 0.785 186 P CB 0.637 32.366 31.700 0.049 0.000 0.923 187 T N 2.512 117.099 114.554 0.055 0.000 3.154 187 T HA 0.334 4.681 4.350 -0.005 0.000 0.381 187 T C -2.389 172.338 174.700 0.045 0.000 1.368 187 T CA -1.347 60.776 62.100 0.039 0.000 1.155 187 T CB -0.020 68.881 68.868 0.055 0.000 1.120 187 T HN 0.254 nan 8.240 nan 0.000 0.570 188 P HA 0.437 nan 4.420 nan 0.000 0.265 188 P C 0.407 177.704 177.300 -0.005 0.000 1.187 188 P CA 0.611 63.725 63.100 0.024 0.000 0.766 188 P CB 0.562 32.275 31.700 0.021 0.000 0.820 189 G N 0.831 109.612 108.800 -0.031 0.000 2.321 189 G HA2 0.194 4.150 3.960 -0.005 0.000 0.298 189 G HA3 0.194 4.150 3.960 -0.005 0.000 0.298 189 G C -1.481 173.260 174.900 -0.265 0.000 1.385 189 G CA -1.051 43.987 45.100 -0.102 0.000 0.856 189 G HN 0.561 nan 8.290 nan 0.000 0.584 190 R N -0.287 119.975 120.500 -0.397 0.000 2.570 190 R HA 0.374 4.711 4.340 -0.005 0.000 0.277 190 R C 0.344 175.891 176.300 -1.254 0.000 1.039 190 R CA 0.598 56.156 56.100 -0.903 0.000 1.065 190 R CB -0.163 29.643 30.300 -0.823 0.000 0.964 190 R HN 1.042 nan 8.270 nan 0.000 0.428 191 Y N -0.394 118.522 120.300 -2.306 0.000 4.929 191 Y HA -0.295 4.252 4.550 -0.005 0.000 0.253 191 Y C -0.246 174.831 175.900 -1.372 0.000 0.946 191 Y CA 0.771 57.478 58.100 -2.321 0.000 1.905 191 Y CB -1.353 36.377 38.460 -1.216 0.000 1.400 191 Y HN 0.515 nan 8.280 nan 0.000 0.531 192 K N 1.244 121.227 120.400 -0.694 0.000 2.183 192 K HA 0.360 4.677 4.320 -0.005 0.000 0.274 192 K C -0.112 176.610 176.600 0.203 0.000 1.009 192 K CA -0.830 55.395 56.287 -0.104 0.000 0.888 192 K CB 0.777 33.255 32.500 -0.036 0.000 1.078 192 K HN 0.077 nan 8.250 nan 0.000 0.459 193 F N 2.500 122.555 119.950 0.176 0.000 2.572 193 F HA 0.058 4.582 4.527 -0.005 0.000 0.370 193 F C 0.266 176.219 175.800 0.256 0.000 1.103 193 F CA 0.647 58.796 58.000 0.247 0.000 1.286 193 F CB 0.518 39.621 39.000 0.172 0.000 1.105 193 F HN 0.556 nan 8.300 nan 0.000 0.583 194 D N 2.735 122.729 120.400 -0.677 0.000 2.692 194 D HA 0.191 4.828 4.640 -0.005 0.000 0.303 194 D C -1.740 174.231 176.300 -0.548 0.000 1.278 194 D CA -0.573 53.149 54.000 -0.463 0.000 0.852 194 D CB 1.343 42.089 40.800 -0.089 0.000 1.375 194 D HN 0.408 nan 8.370 nan 0.000 0.453 195 D N 1.194 121.495 120.400 -0.165 0.000 2.525 195 D HA 0.021 4.658 4.640 -0.005 0.000 0.235 195 D C 0.070 176.327 176.300 -0.072 0.000 1.137 195 D CA 0.576 54.539 54.000 -0.061 0.000 0.868 195 D CB 0.491 41.309 40.800 0.029 0.000 1.180 195 D HN 0.205 nan 8.370 nan 0.000 0.465 196 E N 2.973 123.160 120.200 -0.023 0.000 2.493 196 E HA -0.039 4.308 4.350 -0.005 0.000 0.255 196 E C -1.281 175.318 176.600 -0.002 0.000 0.999 196 E CA -0.992 55.418 56.400 0.016 0.000 0.934 196 E CB 0.921 30.686 29.700 0.108 0.000 0.940 196 E HN 0.289 nan 8.360 nan 0.000 0.473 197 P HA -0.170 nan 4.420 nan 0.000 0.219 197 P C 1.154 178.402 177.300 -0.086 0.000 1.146 197 P CA 1.399 64.468 63.100 -0.052 0.000 0.808 197 P CB 0.117 31.779 31.700 -0.063 0.000 0.779 198 T N -4.691 109.792 114.554 -0.118 0.000 3.043 198 T HA -0.035 4.312 4.350 -0.005 0.000 0.263 198 T C 0.501 174.861 174.700 -0.565 0.000 1.094 198 T CA 0.684 62.602 62.100 -0.302 0.000 1.127 198 T CB -0.761 67.922 68.868 -0.308 0.000 0.905 198 T HN 0.237 nan 8.240 nan 0.000 0.490 199 H N 1.028 120.093 119.070 -0.008 0.000 2.600 199 H HA 0.309 4.862 4.556 -0.005 0.000 0.224 199 H C -2.076 173.236 175.328 -0.028 0.000 1.413 199 H CA -1.473 54.568 56.048 -0.013 0.000 1.401 199 H CB 1.246 31.003 29.762 -0.008 0.000 1.772 199 H HN 0.117 nan 8.280 nan 0.000 0.528 200 P HA -0.074 nan 4.420 nan 0.000 0.221 200 P C 0.251 177.551 177.300 0.001 0.000 1.150 200 P CA 0.735 63.842 63.100 0.012 0.000 0.800 200 P CB 1.222 32.922 31.700 0.001 0.000 0.787 201 V N -0.450 119.471 119.914 0.011 0.000 3.120 201 V HA 0.483 4.600 4.120 -0.005 0.000 0.303 201 V C -1.592 174.519 176.094 0.028 0.000 1.238 201 V CA -1.041 61.258 62.300 -0.001 0.000 1.008 201 V CB 2.598 34.434 31.823 0.021 0.000 1.064 201 V HN -0.086 nan 8.190 nan 0.000 0.434 202 V N 3.358 123.296 119.914 0.040 0.000 2.789 202 V HA 0.695 4.812 4.120 -0.005 0.000 0.311 202 V C -0.963 175.203 176.094 0.119 0.000 1.073 202 V CA -0.864 61.484 62.300 0.079 0.000 0.921 202 V CB 1.899 33.770 31.823 0.081 0.000 1.009 202 V HN 0.772 nan 8.190 nan 0.000 0.426 203 L N 5.534 126.812 121.223 0.091 0.000 2.255 203 L HA 0.605 4.942 4.340 -0.005 0.000 0.289 203 L C -0.070 176.844 176.870 0.075 0.000 1.046 203 L CA -0.382 54.508 54.840 0.084 0.000 0.816 203 L CB 1.023 43.116 42.059 0.057 0.000 1.197 203 L HN 0.773 nan 8.230 nan 0.000 0.427 204 I N 1.976 122.592 120.570 0.078 0.000 2.562 204 I HA 0.627 4.794 4.170 -0.005 0.000 0.301 204 I C -2.422 173.696 176.117 0.003 0.000 1.003 204 I CA -2.650 58.667 61.300 0.029 0.000 1.127 204 I CB 1.930 39.919 38.000 -0.018 0.000 1.304 204 I HN 0.277 nan 8.210 nan 0.000 0.446 205 P HA 0.018 nan 4.420 nan 0.000 0.268 205 P C 0.922 178.208 177.300 -0.023 0.000 1.205 205 P CA -0.190 62.903 63.100 -0.011 0.000 0.771 205 P CB 1.646 33.340 31.700 -0.012 0.000 0.858 206 V N 1.194 121.101 119.914 -0.012 0.000 2.490 206 V HA -0.159 3.958 4.120 -0.005 0.000 0.250 206 V C 1.076 177.158 176.094 -0.019 0.000 1.061 206 V CA 2.023 64.315 62.300 -0.014 0.000 1.064 206 V CB -1.056 30.766 31.823 -0.001 0.000 0.670 206 V HN 0.598 nan 8.190 nan 0.000 0.461 207 D N -0.298 120.093 120.400 -0.014 0.000 2.471 207 D HA 0.265 4.902 4.640 -0.005 0.000 0.245 207 D C -1.502 174.790 176.300 -0.013 0.000 1.116 207 D CA -2.405 51.589 54.000 -0.011 0.000 0.853 207 D CB 2.101 42.899 40.800 -0.003 0.000 1.123 207 D HN 0.007 nan 8.370 nan 0.000 0.540 208 P HA -0.135 nan 4.420 nan 0.000 0.219 208 P C 0.535 177.830 177.300 -0.008 0.000 1.146 208 P CA 0.729 63.817 63.100 -0.020 0.000 0.808 208 P CB 0.454 32.140 31.700 -0.024 0.000 0.779 209 N N -0.345 118.356 118.700 0.002 0.000 2.515 209 N HA -0.051 4.686 4.740 -0.005 0.000 0.185 209 N C 0.443 175.955 175.510 0.003 0.000 1.109 209 N CA 0.610 53.665 53.050 0.008 0.000 0.903 209 N CB -0.342 38.154 38.487 0.016 0.000 0.969 209 N HN 0.162 nan 8.380 nan 0.000 0.450 210 N N 0.756 119.456 118.700 -0.000 0.000 2.790 210 N HA 0.177 4.914 4.740 -0.005 0.000 0.256 210 N C -2.146 173.362 175.510 -0.003 0.000 1.409 210 N CA -1.808 51.242 53.050 -0.001 0.000 0.799 210 N CB 1.159 39.646 38.487 0.001 0.000 1.170 210 N HN -0.091 nan 8.380 nan 0.000 0.507 211 P HA 0.002 nan 4.420 nan 0.000 0.230 211 P C -0.162 177.138 177.300 -0.001 0.000 1.158 211 P CA 0.872 63.970 63.100 -0.004 0.000 0.769 211 P CB 0.439 32.136 31.700 -0.005 0.000 0.807 212 N N -0.746 117.954 118.700 -0.001 0.000 2.236 212 N HA 0.128 4.864 4.740 -0.005 0.000 0.196 212 N C 1.268 176.779 175.510 0.002 0.000 1.114 212 N CA 0.051 53.101 53.050 0.000 0.000 0.859 212 N CB 0.127 38.613 38.487 -0.002 0.000 0.982 212 N HN 0.095 nan 8.380 nan 0.000 0.493 213 G N 1.287 110.088 108.800 0.002 0.000 2.494 213 G HA2 0.235 4.192 3.960 -0.005 0.000 0.270 213 G HA3 0.235 4.192 3.960 -0.005 0.000 0.270 213 G C -2.246 172.657 174.900 0.006 0.000 1.423 213 G CA -0.810 44.292 45.100 0.003 0.000 1.055 213 G HN -0.053 nan 8.290 nan 0.000 0.536 214 P HA 0.183 nan 4.420 nan 0.000 0.266 214 P C -0.645 176.661 177.300 0.011 0.000 1.195 214 P CA 0.199 63.305 63.100 0.010 0.000 0.768 214 P CB 1.075 32.781 31.700 0.011 0.000 0.838 215 K N 2.722 123.132 120.400 0.017 0.000 2.393 215 K HA 0.748 5.065 4.320 -0.005 0.000 0.241 215 K C 0.419 177.037 176.600 0.030 0.000 1.055 215 K CA -0.768 55.532 56.287 0.022 0.000 0.951 215 K CB 0.987 33.503 32.500 0.028 0.000 1.285 215 K HN 0.679 nan 8.250 nan 0.000 0.500 216 M N -0.843 118.784 119.600 0.044 0.000 2.471 216 M HA 0.387 4.864 4.480 -0.005 0.000 0.284 216 M C -2.926 173.434 176.300 0.100 0.000 1.203 216 M CA -1.875 53.462 55.300 0.061 0.000 0.915 216 M CB 2.704 35.335 32.600 0.052 0.000 1.734 216 M HN 0.088 nan 8.290 nan 0.000 0.485 217 P HA 0.241 nan 4.420 nan 0.000 0.271 217 P C -1.624 175.813 177.300 0.229 0.000 1.216 217 P CA 0.348 63.529 63.100 0.134 0.000 0.771 217 P CB 0.514 32.273 31.700 0.098 0.000 0.864 218 F N 3.746 123.714 119.950 0.031 0.000 2.569 218 F HA 0.477 5.001 4.527 -0.006 0.000 0.312 218 F C -0.697 175.106 175.800 0.006 0.000 1.109 218 F CA -1.237 56.780 58.000 0.028 0.000 0.919 218 F CB 2.174 41.184 39.000 0.017 0.000 1.211 218 F HN 0.161 nan 8.300 nan 0.000 0.446 219 R N 4.628 124.732 120.500 -0.659 0.000 2.337 219 R HA 0.296 4.632 4.340 -0.005 0.000 0.319 219 R C -0.893 174.613 176.300 -1.322 0.000 0.954 219 R CA -0.716 54.947 56.100 -0.729 0.000 0.840 219 R CB 1.795 31.948 30.300 -0.245 0.000 1.164 219 R HN 0.716 nan 8.270 nan 0.000 0.472 220 Q N 2.810 121.837 119.800 -1.290 0.000 2.235 220 Q HA 0.268 4.605 4.340 -0.005 0.000 0.250 220 Q C -1.397 174.187 176.000 -0.695 0.000 0.909 220 Q CA -0.508 54.745 55.803 -0.915 0.000 0.910 220 Q CB 0.907 29.393 28.738 -0.420 0.000 1.223 220 Q HN 0.499 nan 8.270 nan 0.000 0.432 221 Y N 1.763 122.186 120.300 0.204 0.000 2.322 221 Y HA 0.189 4.736 4.550 -0.005 0.000 0.324 221 Y C -0.860 175.213 175.900 0.288 0.000 1.027 221 Y CA -0.943 57.368 58.100 0.352 0.000 1.179 221 Y CB 1.134 39.713 38.460 0.199 0.000 1.136 221 Y HN 0.701 nan 8.280 nan 0.000 0.449 222 H N 3.348 122.769 119.070 0.586 0.000 3.015 222 H HA 0.483 5.036 4.556 -0.005 0.000 0.268 222 H C 0.563 176.165 175.328 0.456 0.000 1.113 222 H CA 0.363 56.719 56.048 0.514 0.000 1.479 222 H CB 0.227 30.399 29.762 0.683 0.000 1.493 222 H HN 0.880 nan 8.280 nan 0.000 0.486 223 A N 5.912 128.529 122.820 -0.338 0.000 2.362 223 A HA -0.157 4.160 4.320 -0.005 0.000 0.290 223 A C -1.365 175.872 177.584 -0.578 0.000 1.441 223 A CA 0.387 52.196 52.037 -0.381 0.000 0.743 223 A CB -1.232 17.479 19.000 -0.482 0.000 1.125 223 A HN 0.766 nan 8.150 nan 0.000 0.378 224 P HA -0.056 nan 4.420 nan 0.000 0.223 224 P C 0.808 177.307 177.300 -1.334 0.000 1.151 224 P CA 1.213 62.852 63.100 -2.435 0.000 0.787 224 P CB -0.120 29.882 31.700 -2.830 0.000 0.788 225 F N -3.384 116.342 119.950 -0.372 0.000 2.720 225 F HA 0.190 4.714 4.527 -0.006 0.000 0.301 225 F C 2.403 178.164 175.800 -0.065 0.000 1.103 225 F CA -0.807 57.096 58.000 -0.163 0.000 1.291 225 F CB -1.362 37.571 39.000 -0.113 0.000 1.086 225 F HN -0.218 nan 8.300 nan 0.000 0.592 226 Y N 1.879 122.153 120.300 -0.044 0.000 2.040 226 Y HA -0.225 4.322 4.550 -0.005 0.000 0.275 226 Y C 2.512 178.391 175.900 -0.035 0.000 1.171 226 Y CA 1.873 59.944 58.100 -0.048 0.000 1.123 226 Y CB -0.877 37.510 38.460 -0.121 0.000 0.963 226 Y HN 0.077 nan 8.280 nan 0.000 0.493 227 G N 0.170 108.945 108.800 -0.041 0.000 2.469 227 G HA2 -0.348 3.609 3.960 -0.005 0.000 0.219 227 G HA3 -0.348 3.609 3.960 -0.005 0.000 0.219 227 G C 1.579 176.344 174.900 -0.224 0.000 1.150 227 G CA 1.397 46.388 45.100 -0.181 0.000 0.763 227 G HN 0.602 nan 8.290 nan 0.000 0.561 228 K N -0.044 120.305 120.400 -0.085 0.000 2.243 228 K HA 0.042 4.359 4.320 -0.005 0.000 0.201 228 K C 2.152 178.708 176.600 -0.072 0.000 1.051 228 K CA 1.651 57.905 56.287 -0.056 0.000 0.970 228 K CB -0.245 32.272 32.500 0.028 0.000 0.755 228 K HN 0.350 nan 8.250 nan 0.000 0.465 229 T N -2.546 111.957 114.554 -0.084 0.000 3.015 229 T HA 0.036 4.383 4.350 -0.005 0.000 0.250 229 T C 1.011 175.636 174.700 -0.125 0.000 1.057 229 T CA -0.046 62.009 62.100 -0.075 0.000 1.066 229 T CB 0.073 68.924 68.868 -0.028 0.000 0.959 229 T HN 0.076 nan 8.240 nan 0.000 0.488 230 T N 2.071 116.472 114.554 -0.254 0.000 2.860 230 T HA 0.254 4.600 4.350 -0.005 0.000 0.299 230 T C -0.220 174.371 174.700 -0.182 0.000 1.045 230 T CA -0.381 61.548 62.100 -0.285 0.000 1.071 230 T CB 0.342 68.801 68.868 -0.683 0.000 0.985 230 T HN 0.247 nan 8.240 nan 0.000 0.537 231 K N 3.479 123.838 120.400 -0.069 0.000 2.312 231 K HA 0.249 4.565 4.320 -0.005 0.000 0.287 231 K C 0.143 176.812 176.600 0.115 0.000 1.062 231 K CA -0.478 55.824 56.287 0.026 0.000 0.934 231 K CB 0.652 33.183 32.500 0.053 0.000 1.027 231 K HN 0.390 nan 8.250 nan 0.000 0.478 232 R N 1.631 122.201 120.500 0.117 0.000 2.679 232 R HA 0.089 4.426 4.340 -0.005 0.000 0.269 232 R C 0.769 177.345 176.300 0.461 0.000 1.076 232 R CA 0.075 56.304 56.100 0.215 0.000 1.160 232 R CB 0.070 30.489 30.300 0.198 0.000 1.054 232 R HN 0.490 nan 8.270 nan 0.000 0.507 233 F N -0.227 119.809 119.950 0.142 0.000 2.202 233 F HA 0.250 4.774 4.527 -0.004 0.000 0.279 233 F C 1.676 177.693 175.800 0.362 0.000 1.077 233 F CA 1.316 59.448 58.000 0.219 0.000 1.193 233 F CB -0.436 38.629 39.000 0.107 0.000 1.090 233 F HN 0.586 nan 8.300 nan 0.000 0.516 234 A N -0.854 122.265 122.820 0.497 0.000 2.585 234 A HA 0.257 4.574 4.320 -0.005 0.000 0.266 234 A C 0.345 178.097 177.584 0.280 0.000 1.178 234 A CA 0.132 52.411 52.037 0.404 0.000 0.966 234 A CB -1.092 18.152 19.000 0.406 0.000 1.170 234 A HN 0.208 nan 8.150 nan 0.000 0.558 235 T N -1.001 113.728 114.554 0.292 0.000 2.919 235 T HA 0.310 4.657 4.350 -0.005 0.000 0.302 235 T C 0.252 175.086 174.700 0.225 0.000 1.031 235 T CA -0.186 62.078 62.100 0.273 0.000 1.127 235 T CB 1.039 70.133 68.868 0.377 0.000 0.952 235 T HN 0.159 nan 8.240 nan 0.000 0.540 236 Q N 1.071 120.977 119.800 0.176 0.000 2.204 236 Q HA 0.270 4.607 4.340 -0.005 0.000 0.209 236 Q C 0.344 176.386 176.000 0.070 0.000 0.861 236 Q CA -0.180 55.688 55.803 0.109 0.000 0.971 236 Q CB 0.096 28.881 28.738 0.078 0.000 1.095 236 Q HN 0.975 nan 8.270 nan 0.000 0.486 237 S N -1.395 114.344 115.700 0.066 0.000 2.643 237 S HA 0.399 4.866 4.470 -0.005 0.000 0.266 237 S C -1.104 173.414 174.600 -0.136 0.000 1.130 237 S CA -0.980 57.190 58.200 -0.050 0.000 0.817 237 S CB 1.665 64.767 63.200 -0.162 0.000 1.107 237 S HN -0.092 nan 8.310 nan 0.000 0.471 238 E N 1.398 121.500 120.200 -0.164 0.000 2.266 238 E HA 0.436 4.783 4.350 -0.005 0.000 0.277 238 E C -0.645 175.500 176.600 -0.759 0.000 1.018 238 E CA -0.293 55.954 56.400 -0.254 0.000 0.840 238 E CB 0.599 30.252 29.700 -0.078 0.000 1.082 238 E HN 0.630 nan 8.360 nan 0.000 0.395 239 H N 2.035 120.511 119.070 -0.990 0.000 2.524 239 H HA 0.441 4.993 4.556 -0.006 0.000 0.353 239 H C -0.553 174.334 175.328 -0.735 0.000 1.136 239 H CA -0.412 55.202 56.048 -0.724 0.000 1.193 239 H CB 0.997 30.274 29.762 -0.808 0.000 1.558 239 H HN 0.295 nan 8.280 nan 0.000 0.515 240 F N 1.021 121.053 119.950 0.137 0.000 2.603 240 F HA 0.461 4.984 4.527 -0.006 0.000 0.317 240 F C -0.257 175.646 175.800 0.172 0.000 1.066 240 F CA -0.807 57.256 58.000 0.106 0.000 0.941 240 F CB 1.793 40.740 39.000 -0.088 0.000 1.291 240 F HN 0.136 nan 8.300 nan 0.000 0.472 241 L N 1.233 122.667 121.223 0.352 0.000 2.319 241 L HA 0.805 5.142 4.340 -0.005 0.000 0.267 241 L C -0.046 176.987 176.870 0.272 0.000 1.011 241 L CA -1.322 53.708 54.840 0.317 0.000 0.818 241 L CB 1.884 44.097 42.059 0.257 0.000 1.316 241 L HN 0.802 nan 8.230 nan 0.000 0.432 242 A N 0.437 123.405 122.820 0.247 0.000 2.406 242 A HA 0.153 4.470 4.320 -0.005 0.000 0.243 242 A C -0.483 177.051 177.584 -0.084 0.000 1.082 242 A CA -0.372 51.733 52.037 0.115 0.000 0.786 242 A CB -0.025 19.040 19.000 0.108 0.000 1.029 242 A HN 0.679 nan 8.150 nan 0.000 0.495 243 D N 2.161 122.440 120.400 -0.202 0.000 2.424 243 D HA 0.264 4.901 4.640 -0.005 0.000 0.244 243 D C -2.065 173.744 176.300 -0.817 0.000 1.134 243 D CA -0.524 53.182 54.000 -0.490 0.000 0.881 243 D CB 0.465 41.108 40.800 -0.262 0.000 1.191 243 D HN 0.318 nan 8.370 nan 0.000 0.445 244 P HA 0.170 nan 4.420 nan 0.000 0.272 244 P C -2.653 173.900 177.300 -1.246 0.000 1.223 244 P CA -1.448 60.624 63.100 -1.714 0.000 0.784 244 P CB -0.115 30.137 31.700 -2.415 0.000 0.923 245 P HA 0.009 nan 4.420 nan 0.000 0.261 245 P C 1.085 177.928 177.300 -0.761 0.000 1.183 245 P CA 1.744 64.324 63.100 -0.867 0.000 0.761 245 P CB -0.358 30.812 31.700 -0.883 0.000 0.785 246 G N 2.274 110.663 108.800 -0.684 0.000 2.232 246 G HA2 -0.188 3.769 3.960 -0.005 0.000 0.226 246 G HA3 -0.188 3.769 3.960 -0.005 0.000 0.226 246 G C -0.169 174.177 174.900 -0.923 0.000 0.996 246 G CA -0.464 44.034 45.100 -1.005 0.000 0.626 246 G HN 0.455 nan 8.290 nan 0.000 0.509 247 L N 0.472 121.309 121.223 -0.643 0.000 2.330 247 L HA 0.683 5.020 4.340 -0.005 0.000 0.271 247 L C 1.699 178.405 176.870 -0.273 0.000 1.013 247 L CA -0.952 53.647 54.840 -0.402 0.000 0.816 247 L CB 1.492 43.384 42.059 -0.278 0.000 1.287 247 L HN 0.403 nan 8.230 nan 0.000 0.435 248 R N 0.459 120.865 120.500 -0.156 0.000 3.614 248 R HA -0.331 4.006 4.340 -0.005 0.000 0.542 248 R C 1.620 177.852 176.300 -0.114 0.000 0.241 248 R CA 1.942 57.984 56.100 -0.097 0.000 1.684 248 R CB -1.610 28.669 30.300 -0.036 0.000 0.889 248 R HN 0.857 nan 8.270 nan 0.000 0.611 249 S N 0.764 116.406 115.700 -0.096 0.000 2.469 249 S HA -0.047 4.420 4.470 -0.005 0.000 0.238 249 S C 1.041 175.568 174.600 -0.122 0.000 0.998 249 S CA 1.447 59.594 58.200 -0.088 0.000 0.957 249 S CB -0.105 63.062 63.200 -0.056 0.000 0.764 249 S HN 0.427 nan 8.310 nan 0.000 0.514 250 N N 0.993 119.581 118.700 -0.186 0.000 2.273 250 N HA 0.419 5.156 4.740 -0.005 0.000 0.231 250 N C 1.043 176.391 175.510 -0.271 0.000 1.134 250 N CA 0.604 53.517 53.050 -0.228 0.000 0.856 250 N CB 0.664 38.971 38.487 -0.301 0.000 1.068 250 N HN 0.530 nan 8.380 nan 0.000 0.510 251 A N 0.941 123.618 122.820 -0.237 0.000 2.121 251 A HA -0.136 4.180 4.320 -0.005 0.000 0.218 251 A C 1.660 179.130 177.584 -0.189 0.000 1.154 251 A CA 1.099 52.982 52.037 -0.256 0.000 0.679 251 A CB -0.104 18.781 19.000 -0.193 0.000 0.795 251 A HN 0.319 nan 8.150 nan 0.000 0.458 252 D N -0.713 119.600 120.400 -0.144 0.000 2.349 252 D HA -0.037 4.600 4.640 -0.005 0.000 0.215 252 D C 0.264 176.508 176.300 -0.093 0.000 1.016 252 D CA 0.272 54.213 54.000 -0.098 0.000 0.870 252 D CB -0.220 40.536 40.800 -0.074 0.000 0.917 252 D HN 0.271 nan 8.370 nan 0.000 0.524 253 E N 1.386 121.507 120.200 -0.132 0.000 2.467 253 E HA 0.026 4.373 4.350 -0.005 0.000 0.321 253 E C 1.227 177.789 176.600 -0.063 0.000 1.388 253 E CA -0.039 56.295 56.400 -0.109 0.000 1.508 253 E CB -0.226 29.370 29.700 -0.173 0.000 1.250 253 E HN 0.314 nan 8.360 nan 0.000 0.500 254 T N -2.534 112.005 114.554 -0.024 0.000 2.896 254 T HA -0.055 4.292 4.350 -0.005 0.000 0.263 254 T C 1.946 176.698 174.700 0.087 0.000 1.050 254 T CA 0.654 62.778 62.100 0.040 0.000 1.140 254 T CB -0.000 68.879 68.868 0.019 0.000 0.877 254 T HN 0.206 nan 8.240 nan 0.000 0.457 255 A N 1.899 124.751 122.820 0.052 0.000 1.933 255 A HA -0.082 4.234 4.320 -0.005 0.000 0.218 255 A C 2.306 179.945 177.584 0.092 0.000 1.175 255 A CA 2.022 54.096 52.037 0.061 0.000 0.628 255 A CB -0.828 18.189 19.000 0.029 0.000 0.814 255 A HN 0.596 nan 8.150 nan 0.000 0.444 256 E N -0.998 119.256 120.200 0.091 0.000 2.028 256 E HA -0.218 4.129 4.350 -0.005 0.000 0.191 256 E C 1.827 178.536 176.600 0.182 0.000 0.988 256 E CA 1.750 58.230 56.400 0.134 0.000 0.799 256 E CB -0.649 29.090 29.700 0.065 0.000 0.755 256 E HN 0.612 nan 8.360 nan 0.000 0.447 257 Y N 1.316 121.639 120.300 0.039 0.000 2.128 257 Y HA -0.228 4.319 4.550 -0.005 0.000 0.284 257 Y C 1.797 177.790 175.900 0.155 0.000 1.154 257 Y CA 2.423 60.578 58.100 0.093 0.000 1.149 257 Y CB -0.409 38.064 38.460 0.022 0.000 0.976 257 Y HN 0.122 nan 8.280 nan 0.000 0.505 258 D N -0.142 120.352 120.400 0.156 0.000 2.104 258 D HA -0.197 4.439 4.640 -0.005 0.000 0.194 258 D C 1.786 178.142 176.300 0.093 0.000 0.994 258 D CA 1.857 55.914 54.000 0.096 0.000 0.830 258 D CB -0.562 40.304 40.800 0.110 0.000 0.959 258 D HN 0.452 nan 8.370 nan 0.000 0.452 259 D N -0.319 120.148 120.400 0.112 0.000 2.178 259 D HA -0.017 4.619 4.640 -0.005 0.000 0.202 259 D C 1.894 178.264 176.300 0.117 0.000 0.974 259 D CA 1.153 55.225 54.000 0.120 0.000 0.841 259 D CB -0.020 40.868 40.800 0.147 0.000 0.953 259 D HN 0.108 nan 8.370 nan 0.000 0.478 260 A N -0.265 122.633 122.820 0.130 0.000 1.933 260 A HA -0.116 4.201 4.320 -0.005 0.000 0.218 260 A C 2.421 180.103 177.584 0.163 0.000 1.175 260 A CA 1.372 53.516 52.037 0.178 0.000 0.628 260 A CB -0.742 18.437 19.000 0.298 0.000 0.814 260 A HN 0.194 nan 8.150 nan 0.000 0.444 261 V N -0.181 119.771 119.914 0.064 0.000 2.343 261 V HA -0.258 3.859 4.120 -0.005 0.000 0.247 261 V C 2.619 178.669 176.094 -0.072 0.000 1.051 261 V CA 2.338 64.662 62.300 0.041 0.000 1.036 261 V CB -0.807 31.007 31.823 -0.015 0.000 0.654 261 V HN 0.655 nan 8.190 nan 0.000 0.451 262 R N -0.087 120.405 120.500 -0.013 0.000 2.070 262 R HA -0.145 4.191 4.340 -0.005 0.000 0.233 262 R C 2.207 178.483 176.300 -0.039 0.000 1.137 262 R CA 1.879 57.962 56.100 -0.027 0.000 0.945 262 R CB -0.491 29.825 30.300 0.026 0.000 0.845 262 R HN 0.358 nan 8.270 nan 0.000 0.430 263 V N 0.972 120.889 119.914 0.004 0.000 2.407 263 V HA -0.228 3.889 4.120 -0.005 0.000 0.248 263 V C 2.386 178.474 176.094 -0.010 0.000 1.055 263 V CA 1.826 64.135 62.300 0.014 0.000 1.049 263 V CB -0.717 31.125 31.823 0.032 0.000 0.662 263 V HN 0.573 nan 8.190 nan 0.000 0.455 264 A N 0.230 123.003 122.820 -0.079 0.000 1.865 264 A HA -0.202 4.115 4.320 -0.005 0.000 0.217 264 A C 2.173 179.640 177.584 -0.195 0.000 1.191 264 A CA 2.111 54.043 52.037 -0.175 0.000 0.623 264 A CB -0.553 18.209 19.000 -0.396 0.000 0.826 264 A HN 0.496 nan 8.150 nan 0.000 0.444 265 I N -0.281 120.028 120.570 -0.435 0.000 2.179 265 I HA -0.293 3.874 4.170 -0.005 0.000 0.242 265 I C 2.972 179.130 176.117 0.068 0.000 1.088 265 I CA 1.211 62.239 61.300 -0.453 0.000 1.357 265 I CB -0.371 37.301 38.000 -0.547 0.000 1.051 265 I HN 0.364 nan 8.210 nan 0.000 0.409 266 A N 0.402 123.239 122.820 0.029 0.000 1.898 266 A HA -0.147 4.169 4.320 -0.005 0.000 0.216 266 A C 2.237 179.907 177.584 0.145 0.000 1.181 266 A CA 1.455 53.545 52.037 0.089 0.000 0.620 266 A CB -0.271 18.762 19.000 0.055 0.000 0.819 266 A HN 0.303 nan 8.150 nan 0.000 0.442 267 M N -1.374 118.328 119.600 0.169 0.000 2.501 267 M HA 0.131 4.607 4.480 -0.005 0.000 0.261 267 M C 1.701 178.159 176.300 0.265 0.000 1.129 267 M CA 1.107 56.553 55.300 0.244 0.000 1.126 267 M CB -0.831 31.959 32.600 0.318 0.000 1.359 267 M HN 0.429 nan 8.290 nan 0.000 0.471 268 G N -0.115 108.849 108.800 0.274 0.000 3.735 268 G HA2 0.444 4.401 3.960 -0.005 0.000 0.283 268 G HA3 0.444 4.401 3.960 -0.005 0.000 0.283 268 G C 0.557 175.557 174.900 0.168 0.000 1.007 268 G CA -0.113 45.124 45.100 0.228 0.000 0.821 268 G HN 0.474 nan 8.290 nan 0.000 0.505 269 G N -0.019 108.941 108.800 0.266 0.000 2.599 269 G HA2 0.551 4.508 3.960 -0.005 0.000 0.264 269 G HA3 0.551 4.508 3.960 -0.005 0.000 0.264 269 G C 0.522 175.337 174.900 -0.143 0.000 1.200 269 G CA 0.163 45.268 45.100 0.008 0.000 0.896 269 G HN 0.568 nan 8.290 nan 0.000 0.536 270 A N -0.393 122.270 122.820 -0.261 0.000 2.520 270 A HA 0.179 4.496 4.320 -0.005 0.000 0.235 270 A C 1.566 179.099 177.584 -0.085 0.000 1.065 270 A CA 0.631 52.560 52.037 -0.181 0.000 0.764 270 A CB 0.219 19.105 19.000 -0.190 0.000 1.002 270 A HN 0.894 nan 8.150 nan 0.000 0.502 271 Q N 1.626 121.382 119.800 -0.073 0.000 2.118 271 Q HA -0.268 4.069 4.340 -0.005 0.000 0.211 271 Q C 1.774 177.759 176.000 -0.026 0.000 0.998 271 Q CA 2.444 58.221 55.803 -0.044 0.000 0.872 271 Q CB -0.245 28.465 28.738 -0.047 0.000 0.925 271 Q HN 0.926 nan 8.270 nan 0.000 0.414 272 A N 0.037 122.839 122.820 -0.030 0.000 2.251 272 A HA 0.203 4.520 4.320 -0.005 0.000 0.209 272 A C 0.691 178.274 177.584 -0.003 0.000 1.187 272 A CA -0.208 51.819 52.037 -0.016 0.000 0.823 272 A CB -0.074 18.913 19.000 -0.021 0.000 0.846 272 A HN 0.333 nan 8.150 nan 0.000 0.486 273 L N 0.707 121.932 121.223 0.004 0.000 2.453 273 L HA 0.049 4.386 4.340 -0.005 0.000 0.272 273 L C 0.976 177.876 176.870 0.049 0.000 1.182 273 L CA -0.702 54.159 54.840 0.035 0.000 0.858 273 L CB 0.200 42.300 42.059 0.069 0.000 1.120 273 L HN 0.282 nan 8.230 nan 0.000 0.474 274 N N 0.911 119.639 118.700 0.048 0.000 2.289 274 N HA -0.138 4.599 4.740 -0.005 0.000 0.184 274 N C 1.678 177.222 175.510 0.055 0.000 1.016 274 N CA 1.485 54.560 53.050 0.042 0.000 0.872 274 N CB 0.011 38.517 38.487 0.032 0.000 0.973 274 N HN 0.709 nan 8.380 nan 0.000 0.433 275 S N -0.938 114.812 115.700 0.083 0.000 2.522 275 S HA 0.034 4.501 4.470 -0.005 0.000 0.227 275 S C 0.819 175.483 174.600 0.107 0.000 0.986 275 S CA 0.018 58.273 58.200 0.090 0.000 0.929 275 S CB -0.272 62.994 63.200 0.110 0.000 0.769 275 S HN 0.012 nan 8.310 nan 0.000 0.529 276 T N 3.558 118.179 114.554 0.112 0.000 2.779 276 T HA 0.284 4.631 4.350 -0.005 0.000 0.296 276 T C 0.623 175.366 174.700 0.071 0.000 0.938 276 T CA -0.427 61.737 62.100 0.108 0.000 1.119 276 T CB 0.859 69.778 68.868 0.085 0.000 0.891 276 T HN 0.130 nan 8.240 nan 0.000 0.526 277 K N 1.875 122.320 120.400 0.075 0.000 2.358 277 K HA 0.119 4.436 4.320 -0.005 0.000 0.200 277 K C 0.908 177.540 176.600 0.052 0.000 1.030 277 K CA -0.223 56.099 56.287 0.059 0.000 1.097 277 K CB 0.417 32.955 32.500 0.063 0.000 0.862 277 K HN 0.441 nan 8.250 nan 0.000 0.534 278 R N 2.673 123.202 120.500 0.048 0.000 2.522 278 R HA 0.014 4.351 4.340 -0.005 0.000 0.284 278 R C 0.141 176.414 176.300 -0.044 0.000 1.032 278 R CA 0.279 56.373 56.100 -0.010 0.000 1.049 278 R CB 0.483 30.767 30.300 -0.027 0.000 0.956 278 R HN 0.094 nan 8.270 nan 0.000 0.422 279 S N 4.186 119.844 115.700 -0.070 0.000 2.632 279 S HA 0.230 4.697 4.470 -0.005 0.000 0.267 279 S C -1.849 172.721 174.600 -0.050 0.000 1.276 279 S CA -1.295 56.888 58.200 -0.028 0.000 0.998 279 S CB 1.543 64.757 63.200 0.023 0.000 0.953 279 S HN 0.518 nan 8.310 nan 0.000 0.547 280 P HA -0.085 nan 4.420 nan 0.000 0.216 280 P C 1.219 178.544 177.300 0.043 0.000 1.150 280 P CA 1.040 64.152 63.100 0.019 0.000 0.837 280 P CB -0.065 31.670 31.700 0.058 0.000 0.786 281 W N 0.634 121.872 121.300 -0.103 0.000 2.381 281 W HA -0.161 4.496 4.660 -0.005 0.000 0.301 281 W C 1.731 178.145 176.519 -0.175 0.000 1.205 281 W CA 1.234 58.516 57.345 -0.106 0.000 1.285 281 W CB -0.310 29.102 29.460 -0.081 0.000 1.133 281 W HN 0.018 nan 8.180 nan 0.000 0.521 282 Q N -0.417 119.165 119.800 -0.363 0.000 2.170 282 Q HA -0.160 4.176 4.340 -0.005 0.000 0.203 282 Q C 2.026 177.602 176.000 -0.706 0.000 0.976 282 Q CA 2.197 57.489 55.803 -0.852 0.000 0.858 282 Q CB -0.427 27.613 28.738 -1.162 0.000 0.907 282 Q HN 0.121 nan 8.270 nan 0.000 0.433 283 T N 0.713 115.032 114.554 -0.390 0.000 2.788 283 T HA -0.137 4.210 4.350 -0.005 0.000 0.268 283 T C 1.897 176.478 174.700 -0.199 0.000 1.044 283 T CA 1.142 63.109 62.100 -0.221 0.000 1.139 283 T CB -0.213 68.574 68.868 -0.134 0.000 0.867 283 T HN 0.391 nan 8.240 nan 0.000 0.454 284 A N 1.534 124.179 122.820 -0.293 0.000 1.873 284 A HA -0.156 4.161 4.320 -0.005 0.000 0.215 284 A C 2.287 179.696 177.584 -0.291 0.000 1.186 284 A CA 1.443 53.290 52.037 -0.315 0.000 0.616 284 A CB -0.662 18.039 19.000 -0.499 0.000 0.823 284 A HN 0.534 nan 8.150 nan 0.000 0.442 285 Q N -0.645 118.900 119.800 -0.425 0.000 2.135 285 Q HA -0.128 4.209 4.340 -0.005 0.000 0.204 285 Q C 2.172 178.307 176.000 0.226 0.000 0.981 285 Q CA 1.217 56.955 55.803 -0.110 0.000 0.856 285 Q CB -0.449 28.238 28.738 -0.085 0.000 0.902 285 Q HN 0.697 nan 8.270 nan 0.000 0.425 286 G N 0.956 109.859 108.800 0.172 0.000 2.433 286 G HA2 -0.209 3.748 3.960 -0.005 0.000 0.216 286 G HA3 -0.209 3.748 3.960 -0.005 0.000 0.216 286 G C 1.386 176.359 174.900 0.120 0.000 1.186 286 G CA 0.460 45.678 45.100 0.196 0.000 0.779 286 G HN 0.168 nan 8.290 nan 0.000 0.543 287 L N -0.961 120.286 121.223 0.041 0.000 2.156 287 L HA -0.020 4.317 4.340 -0.005 0.000 0.208 287 L C 2.569 179.445 176.870 0.010 0.000 1.095 287 L CA 0.955 55.790 54.840 -0.009 0.000 0.770 287 L CB -0.591 41.430 42.059 -0.063 0.000 0.914 287 L HN 0.283 nan 8.230 nan 0.000 0.439 288 Y N 0.119 120.362 120.300 -0.095 0.000 2.114 288 Y HA -0.291 4.256 4.550 -0.005 0.000 0.282 288 Y C 1.842 177.591 175.900 -0.251 0.000 1.165 288 Y CA 1.968 59.941 58.100 -0.212 0.000 1.148 288 Y CB -0.288 38.023 38.460 -0.249 0.000 0.972 288 Y HN 0.089 nan 8.280 nan 0.000 0.504 289 W N -0.716 120.741 121.300 0.262 0.000 3.353 289 W HA 0.321 4.978 4.660 -0.006 0.000 0.304 289 W C 2.060 178.743 176.519 0.274 0.000 1.273 289 W CA 0.309 57.844 57.345 0.317 0.000 1.773 289 W CB -0.477 29.224 29.460 0.401 0.000 1.095 289 W HN 0.120 nan 8.180 nan 0.000 0.676 290 A N 0.095 123.083 122.820 0.280 0.000 1.827 290 A HA -0.247 4.070 4.320 -0.005 0.000 0.215 290 A C 0.523 178.330 177.584 0.372 0.000 1.212 290 A CA 1.367 53.522 52.037 0.197 0.000 0.624 290 A CB -1.421 17.574 19.000 -0.009 0.000 0.853 290 A HN 0.368 nan 8.150 nan 0.000 0.450 291 Y N 0.378 120.634 120.300 -0.074 0.000 3.108 291 Y HA -0.169 4.378 4.550 -0.005 0.000 0.208 291 Y C -0.147 175.739 175.900 -0.023 0.000 1.245 291 Y CA 0.637 58.666 58.100 -0.117 0.000 1.171 291 Y CB -1.928 36.424 38.460 -0.180 0.000 1.331 291 Y HN 0.430 nan 8.280 nan 0.000 0.534 292 D N 0.889 121.347 120.400 0.098 0.000 2.856 292 D HA 0.273 4.910 4.640 -0.005 0.000 0.242 292 D C 1.503 177.899 176.300 0.160 0.000 1.226 292 D CA 1.147 55.251 54.000 0.173 0.000 0.855 292 D CB -0.394 40.480 40.800 0.124 0.000 1.065 292 D HN 0.736 nan 8.370 nan 0.000 0.462 293 G N 0.699 109.488 108.800 -0.018 0.000 2.176 293 G HA2 -0.277 3.680 3.960 -0.005 0.000 0.252 293 G HA3 -0.277 3.680 3.960 -0.005 0.000 0.252 293 G C 0.500 175.389 174.900 -0.019 0.000 1.024 293 G CA 0.106 45.146 45.100 -0.100 0.000 0.755 293 G HN 0.339 nan 8.290 nan 0.000 0.507 294 S N 0.166 115.823 115.700 -0.071 0.000 2.614 294 S HA 0.427 4.894 4.470 -0.005 0.000 0.265 294 S C 0.680 175.194 174.600 -0.143 0.000 1.303 294 S CA -0.729 57.419 58.200 -0.086 0.000 1.000 294 S CB 0.586 63.708 63.200 -0.131 0.000 0.935 294 S HN 0.430 nan 8.310 nan 0.000 0.551 295 N N 1.453 120.041 118.700 -0.187 0.000 2.412 295 N HA 0.066 4.803 4.740 -0.005 0.000 0.258 295 N C 0.786 176.106 175.510 -0.316 0.000 1.236 295 N CA 0.315 53.187 53.050 -0.296 0.000 0.882 295 N CB -0.258 37.902 38.487 -0.546 0.000 1.066 295 N HN 0.674 nan 8.380 nan 0.000 0.465 296 L N 0.383 121.452 121.223 -0.256 0.000 4.884 296 L HA -0.316 4.021 4.340 -0.005 0.000 0.430 296 L C 0.760 177.508 176.870 -0.204 0.000 1.087 296 L CA 0.668 55.384 54.840 -0.206 0.000 1.033 296 L CB -1.445 40.478 42.059 -0.226 0.000 2.030 296 L HN 0.593 nan 8.230 nan 0.000 0.762 297 I N -1.948 118.480 120.570 -0.238 0.000 3.673 297 I HA 0.393 4.560 4.170 -0.005 0.000 0.281 297 I C 1.563 177.543 176.117 -0.228 0.000 1.182 297 I CA 0.772 61.873 61.300 -0.332 0.000 1.391 297 I CB 0.686 38.363 38.000 -0.538 0.000 1.383 297 I HN 0.425 nan 8.210 nan 0.000 0.456 298 G N 1.424 110.088 108.800 -0.227 0.000 2.545 298 G HA2 -0.192 3.764 3.960 -0.005 0.000 0.216 298 G HA3 -0.192 3.764 3.960 -0.005 0.000 0.216 298 G C -0.024 174.643 174.900 -0.388 0.000 1.314 298 G CA -0.183 44.715 45.100 -0.337 0.000 0.906 298 G HN 0.387 nan 8.290 nan 0.000 0.563 299 T N -1.593 112.719 114.554 -0.404 0.000 2.937 299 T HA 0.720 5.067 4.350 -0.005 0.000 0.283 299 T C -1.426 173.180 174.700 -0.157 0.000 1.012 299 T CA -0.699 61.253 62.100 -0.246 0.000 0.997 299 T CB 2.121 70.811 68.868 -0.297 0.000 1.136 299 T HN 0.346 nan 8.240 nan 0.000 0.551 300 P HA -0.019 nan 4.420 nan 0.000 0.216 300 P C -1.566 175.223 177.300 -0.852 0.000 1.153 300 P CA 1.350 64.092 63.100 -0.595 0.000 0.858 300 P CB -1.229 30.095 31.700 -0.627 0.000 0.789 301 P HA -0.173 nan 4.420 nan 0.000 0.217 301 P C 1.551 178.686 177.300 -0.275 0.000 1.148 301 P CA 1.484 64.345 63.100 -0.399 0.000 0.828 301 P CB -0.317 31.156 31.700 -0.378 0.000 0.783 302 R N -1.436 118.919 120.500 -0.242 0.000 2.073 302 R HA -0.162 4.175 4.340 -0.005 0.000 0.234 302 R C 2.110 178.305 176.300 -0.174 0.000 1.134 302 R CA 1.372 57.399 56.100 -0.122 0.000 0.952 302 R CB -0.966 29.326 30.300 -0.014 0.000 0.850 302 R HN 0.045 nan 8.270 nan 0.000 0.433 303 F N 0.598 120.112 119.950 -0.726 0.000 2.134 303 F HA -0.164 4.360 4.527 -0.005 0.000 0.299 303 F C 1.445 176.992 175.800 -0.421 0.000 1.097 303 F CA 1.095 58.540 58.000 -0.924 0.000 1.264 303 F CB -0.629 37.338 39.000 -1.721 0.000 1.001 303 F HN 0.023 nan 8.300 nan 0.000 0.479 304 Y N 0.186 120.322 120.300 -0.273 0.000 2.207 304 Y HA -0.210 4.337 4.550 -0.005 0.000 0.287 304 Y C 2.327 178.093 175.900 -0.223 0.000 1.156 304 Y CA 1.540 59.468 58.100 -0.286 0.000 1.182 304 Y CB -1.678 36.576 38.460 -0.344 0.000 0.979 304 Y HN 0.116 nan 8.280 nan 0.000 0.521 305 N N -0.403 118.289 118.700 -0.013 0.000 2.216 305 N HA -0.126 4.611 4.740 -0.005 0.000 0.183 305 N C 1.710 177.280 175.510 0.100 0.000 1.017 305 N CA 1.074 54.169 53.050 0.074 0.000 0.861 305 N CB -0.251 38.308 38.487 0.121 0.000 0.986 305 N HN 0.420 nan 8.380 nan 0.000 0.428 306 Q N 0.073 119.889 119.800 0.027 0.000 2.084 306 Q HA -0.063 4.274 4.340 -0.005 0.000 0.202 306 Q C 1.831 177.849 176.000 0.030 0.000 0.978 306 Q CA 0.960 56.799 55.803 0.061 0.000 0.844 306 Q CB -0.059 28.737 28.738 0.096 0.000 0.898 306 Q HN 0.470 nan 8.270 nan 0.000 0.426 307 I N -0.191 120.316 120.570 -0.105 0.000 2.202 307 I HA -0.225 3.941 4.170 -0.005 0.000 0.242 307 I C 2.185 178.334 176.117 0.054 0.000 1.091 307 I CA 0.736 61.996 61.300 -0.065 0.000 1.368 307 I CB -0.219 37.703 38.000 -0.130 0.000 1.058 307 I HN 0.023 nan 8.210 nan 0.000 0.410 308 V N 1.009 120.948 119.914 0.040 0.000 2.490 308 V HA -0.263 3.854 4.120 -0.005 0.000 0.250 308 V C 2.549 178.665 176.094 0.036 0.000 1.061 308 V CA 1.752 64.037 62.300 -0.026 0.000 1.064 308 V CB -0.809 30.869 31.823 -0.242 0.000 0.670 308 V HN 0.377 nan 8.190 nan 0.000 0.461 309 R N -0.200 120.417 120.500 0.194 0.000 2.081 309 R HA -0.196 4.141 4.340 -0.005 0.000 0.235 309 R C 2.523 178.894 176.300 0.118 0.000 1.131 309 R CA 1.909 58.158 56.100 0.248 0.000 0.960 309 R CB -0.419 30.063 30.300 0.303 0.000 0.856 309 R HN 0.448 nan 8.270 nan 0.000 0.436 310 R N 1.108 121.735 120.500 0.211 0.000 2.073 310 R HA -0.097 4.240 4.340 -0.005 0.000 0.234 310 R C 2.154 178.497 176.300 0.073 0.000 1.134 310 R CA 1.443 57.669 56.100 0.210 0.000 0.952 310 R CB -0.246 30.174 30.300 0.201 0.000 0.850 310 R HN 0.168 nan 8.270 nan 0.000 0.433 311 I N 0.901 121.521 120.570 0.083 0.000 2.226 311 I HA -0.257 3.910 4.170 -0.005 0.000 0.245 311 I C 2.588 178.780 176.117 0.125 0.000 1.100 311 I CA 1.292 62.659 61.300 0.111 0.000 1.374 311 I CB -0.470 37.587 38.000 0.095 0.000 1.057 311 I HN 0.353 nan 8.210 nan 0.000 0.413 312 A N 0.446 123.320 122.820 0.090 0.000 1.883 312 A HA -0.163 4.154 4.320 -0.005 0.000 0.217 312 A C 2.407 180.056 177.584 0.107 0.000 1.186 312 A CA 1.981 54.109 52.037 0.151 0.000 0.624 312 A CB -0.942 18.006 19.000 -0.086 0.000 0.822 312 A HN 0.257 nan 8.150 nan 0.000 0.444 313 V N -0.548 119.261 119.914 -0.176 0.000 2.453 313 V HA -0.162 3.955 4.120 -0.005 0.000 0.247 313 V C 2.657 178.706 176.094 -0.076 0.000 1.048 313 V CA 2.242 64.426 62.300 -0.194 0.000 1.049 313 V CB -1.141 30.282 31.823 -0.666 0.000 0.672 313 V HN 0.589 nan 8.190 nan 0.000 0.457 314 T N -0.668 113.799 114.554 -0.146 0.000 2.833 314 T HA -0.159 4.188 4.350 -0.005 0.000 0.269 314 T C 1.168 175.555 174.700 -0.522 0.000 1.054 314 T CA 1.594 63.483 62.100 -0.352 0.000 1.135 314 T CB -0.286 68.265 68.868 -0.528 0.000 0.869 314 T HN 0.549 nan 8.240 nan 0.000 0.466 315 Y N 1.746 122.098 120.300 0.086 0.000 2.681 315 Y HA 0.307 4.854 4.550 -0.005 0.000 0.267 315 Y C 0.753 176.813 175.900 0.265 0.000 1.166 315 Y CA -1.269 56.911 58.100 0.134 0.000 1.209 315 Y CB -0.230 38.228 38.460 -0.002 0.000 1.161 315 Y HN 0.170 nan 8.280 nan 0.000 0.534 316 K N -0.009 120.589 120.400 0.330 0.000 2.319 316 K HA 0.129 4.446 4.320 -0.005 0.000 0.265 316 K C 0.305 177.032 176.600 0.212 0.000 1.000 316 K CA -0.264 56.215 56.287 0.320 0.000 0.943 316 K CB 1.016 33.706 32.500 0.316 0.000 0.950 316 K HN 0.149 nan 8.250 nan 0.000 0.485 317 K N 0.788 121.281 120.400 0.157 0.000 2.167 317 K HA -0.031 4.285 4.320 -0.005 0.000 0.203 317 K C -0.002 176.647 176.600 0.082 0.000 1.052 317 K CA 1.094 57.450 56.287 0.116 0.000 0.956 317 K CB 0.150 32.703 32.500 0.089 0.000 0.735 317 K HN 0.613 nan 8.250 nan 0.000 0.451 318 E N 0.244 120.481 120.200 0.061 0.000 2.238 318 E HA 0.110 4.457 4.350 -0.005 0.000 0.267 318 E C 0.013 176.649 176.600 0.060 0.000 0.887 318 E CA -0.473 55.957 56.400 0.051 0.000 0.769 318 E CB 1.799 31.517 29.700 0.030 0.000 1.187 318 E HN -0.029 nan 8.360 nan 0.000 0.416 319 E N 0.835 121.070 120.200 0.058 0.000 2.153 319 E HA -0.126 4.221 4.350 -0.005 0.000 0.194 319 E C 0.027 176.666 176.600 0.064 0.000 0.988 319 E CA 0.962 57.399 56.400 0.061 0.000 0.811 319 E CB -0.006 29.726 29.700 0.053 0.000 0.746 319 E HN 0.426 nan 8.360 nan 0.000 0.466 320 D N 0.233 120.666 120.400 0.056 0.000 2.338 320 D HA 0.039 4.676 4.640 -0.005 0.000 0.255 320 D C 1.052 177.392 176.300 0.068 0.000 1.237 320 D CA 0.051 54.087 54.000 0.059 0.000 0.883 320 D CB 0.577 41.407 40.800 0.051 0.000 1.087 320 D HN -0.047 nan 8.370 nan 0.000 0.485 321 L N 3.281 124.557 121.223 0.088 0.000 2.131 321 L HA -0.003 4.333 4.340 -0.005 0.000 0.206 321 L C 2.258 179.191 176.870 0.105 0.000 1.087 321 L CA 0.843 55.756 54.840 0.122 0.000 0.767 321 L CB -0.194 41.942 42.059 0.128 0.000 0.917 321 L HN 0.491 nan 8.230 nan 0.000 0.441 322 A N 0.088 122.963 122.820 0.091 0.000 1.841 322 A HA -0.074 4.243 4.320 -0.005 0.000 0.214 322 A C 0.941 178.591 177.584 0.110 0.000 1.195 322 A CA 1.114 53.210 52.037 0.099 0.000 0.611 322 A CB -0.243 18.807 19.000 0.082 0.000 0.835 322 A HN 0.434 nan 8.150 nan 0.000 0.443 323 N N 0.317 119.070 118.700 0.089 0.000 2.898 323 N HA 0.314 5.051 4.740 -0.005 0.000 0.245 323 N C -1.191 174.361 175.510 0.071 0.000 1.185 323 N CA 0.204 53.310 53.050 0.094 0.000 0.879 323 N CB 1.138 39.674 38.487 0.081 0.000 1.157 323 N HN 0.198 nan 8.380 nan 0.000 0.503 324 S N 0.855 116.590 115.700 0.058 0.000 2.706 324 S HA 0.166 4.633 4.470 -0.005 0.000 0.270 324 S C 0.511 175.122 174.600 0.018 0.000 1.163 324 S CA -0.504 57.713 58.200 0.028 0.000 1.042 324 S CB 0.974 64.171 63.200 -0.007 0.000 1.079 324 S HN 0.149 nan 8.310 nan 0.000 0.474 325 E N 3.050 123.290 120.200 0.067 0.000 2.208 325 E HA -0.039 4.308 4.350 -0.005 0.000 0.193 325 E C 2.015 178.663 176.600 0.080 0.000 0.988 325 E CA 0.835 57.308 56.400 0.122 0.000 0.828 325 E CB -0.146 29.646 29.700 0.154 0.000 0.763 325 E HN 0.553 nan 8.360 nan 0.000 0.478 326 V N 2.251 122.183 119.914 0.030 0.000 2.295 326 V HA -0.248 3.869 4.120 -0.005 0.000 0.246 326 V C 1.937 177.966 176.094 -0.107 0.000 1.049 326 V CA 1.718 64.024 62.300 0.010 0.000 1.024 326 V CB -0.471 31.360 31.823 0.013 0.000 0.648 326 V HN 0.203 nan 8.190 nan 0.000 0.447 327 N N 0.630 119.191 118.700 -0.232 0.000 2.106 327 N HA -0.117 4.619 4.740 -0.005 0.000 0.188 327 N C 1.684 176.706 175.510 -0.814 0.000 1.029 327 N CA 1.314 53.984 53.050 -0.633 0.000 0.848 327 N CB -0.626 37.535 38.487 -0.544 0.000 1.007 327 N HN 0.440 nan 8.380 nan 0.000 0.423 328 N N 1.191 119.627 118.700 -0.440 0.000 2.069 328 N HA -0.106 4.631 4.740 -0.005 0.000 0.191 328 N C 1.613 176.794 175.510 -0.548 0.000 1.031 328 N CA 1.359 54.125 53.050 -0.473 0.000 0.852 328 N CB -0.507 37.761 38.487 -0.365 0.000 1.018 328 N HN 0.254 nan 8.380 nan 0.000 0.423 329 A N 0.723 123.377 122.820 -0.276 0.000 1.898 329 A HA -0.160 4.157 4.320 -0.005 0.000 0.216 329 A C 2.060 179.772 177.584 0.214 0.000 1.181 329 A CA 1.791 53.848 52.037 0.033 0.000 0.620 329 A CB -0.734 18.532 19.000 0.443 0.000 0.819 329 A HN 0.270 nan 8.150 nan 0.000 0.442 330 D N -0.951 119.497 120.400 0.081 0.000 2.092 330 D HA -0.160 4.477 4.640 -0.005 0.000 0.193 330 D C 1.615 178.104 176.300 0.315 0.000 0.994 330 D CA 1.492 55.610 54.000 0.196 0.000 0.828 330 D CB -0.274 40.545 40.800 0.033 0.000 0.963 330 D HN 0.316 nan 8.370 nan 0.000 0.450 331 F N 0.941 120.986 119.950 0.158 0.000 2.146 331 F HA 0.111 4.635 4.527 -0.005 0.000 0.298 331 F C 2.577 178.524 175.800 0.244 0.000 1.096 331 F CA 0.740 58.875 58.000 0.225 0.000 1.275 331 F CB -1.454 37.618 39.000 0.120 0.000 1.008 331 F HN 0.015 nan 8.300 nan 0.000 0.480 332 A N -0.041 122.915 122.820 0.228 0.000 1.933 332 A HA -0.218 4.099 4.320 -0.005 0.000 0.218 332 A C 2.321 180.149 177.584 0.408 0.000 1.175 332 A CA 1.972 54.112 52.037 0.173 0.000 0.628 332 A CB -0.623 18.197 19.000 -0.300 0.000 0.814 332 A HN 0.236 nan 8.150 nan 0.000 0.444 333 R N -0.434 120.342 120.500 0.460 0.000 2.057 333 R HA -0.020 4.317 4.340 -0.005 0.000 0.229 333 R C 1.944 178.279 176.300 0.059 0.000 1.136 333 R CA 1.600 57.934 56.100 0.391 0.000 0.952 333 R CB -1.066 29.440 30.300 0.343 0.000 0.848 333 R HN 0.411 nan 8.270 nan 0.000 0.430 334 L N -0.085 121.054 121.223 -0.140 0.000 1.989 334 L HA -0.084 4.253 4.340 -0.005 0.000 0.211 334 L C 1.943 178.564 176.870 -0.414 0.000 1.071 334 L CA 1.898 56.380 54.840 -0.597 0.000 0.749 334 L CB -0.759 40.948 42.059 -0.585 0.000 0.890 334 L HN 0.216 nan 8.230 nan 0.000 0.431 335 F N -0.263 119.568 119.950 -0.198 0.000 2.216 335 F HA -0.134 4.389 4.527 -0.006 0.000 0.300 335 F C 2.442 178.074 175.800 -0.281 0.000 1.085 335 F CA 1.222 59.009 58.000 -0.355 0.000 1.326 335 F CB -0.959 37.641 39.000 -0.668 0.000 1.027 335 F HN 0.229 nan 8.300 nan 0.000 0.497 336 A N 0.168 123.027 122.820 0.065 0.000 1.873 336 A HA -0.107 4.209 4.320 -0.005 0.000 0.215 336 A C 2.230 179.773 177.584 -0.068 0.000 1.186 336 A CA 1.272 53.332 52.037 0.039 0.000 0.616 336 A CB -1.027 18.006 19.000 0.056 0.000 0.823 336 A HN 0.347 nan 8.150 nan 0.000 0.442 337 L N -0.589 120.576 121.223 -0.097 0.000 1.989 337 L HA -0.190 4.147 4.340 -0.005 0.000 0.211 337 L C 2.596 179.407 176.870 -0.099 0.000 1.071 337 L CA 1.357 56.148 54.840 -0.081 0.000 0.749 337 L CB -0.609 41.409 42.059 -0.067 0.000 0.890 337 L HN 0.257 nan 8.230 nan 0.000 0.431 338 V N -0.296 119.503 119.914 -0.191 0.000 2.261 338 V HA -0.303 3.813 4.120 -0.005 0.000 0.246 338 V C 2.038 178.034 176.094 -0.165 0.000 1.047 338 V CA 2.020 64.186 62.300 -0.224 0.000 1.015 338 V CB -0.476 31.128 31.823 -0.365 0.000 0.642 338 V HN 0.447 nan 8.190 nan 0.000 0.446 339 D N -0.443 119.882 120.400 -0.125 0.000 2.269 339 D HA -0.078 4.558 4.640 -0.005 0.000 0.208 339 D C 2.053 178.322 176.300 -0.051 0.000 0.963 339 D CA 0.855 54.818 54.000 -0.062 0.000 0.864 339 D CB 0.072 40.889 40.800 0.028 0.000 0.936 339 D HN 0.322 nan 8.370 nan 0.000 0.505 340 V N 1.149 121.045 119.914 -0.030 0.000 2.407 340 V HA -0.129 3.988 4.120 -0.005 0.000 0.245 340 V C 2.514 178.596 176.094 -0.021 0.000 1.041 340 V CA 1.487 63.794 62.300 0.012 0.000 1.040 340 V CB -0.521 31.336 31.823 0.056 0.000 0.671 340 V HN 0.144 nan 8.190 nan 0.000 0.455 341 A N -1.124 121.680 122.820 -0.027 0.000 1.902 341 A HA -0.293 4.024 4.320 -0.005 0.000 0.217 341 A C 2.399 179.959 177.584 -0.039 0.000 1.181 341 A CA 2.152 54.172 52.037 -0.029 0.000 0.623 341 A CB -1.183 17.785 19.000 -0.053 0.000 0.818 341 A HN 0.581 nan 8.150 nan 0.000 0.443 342 C N -1.116 118.145 119.300 -0.065 0.000 2.446 342 C HA -0.073 4.383 4.460 -0.005 0.000 0.277 342 C C 3.017 178.028 174.990 0.035 0.000 1.275 342 C CA 1.901 60.911 59.018 -0.013 0.000 1.727 342 C CB -1.456 26.217 27.740 -0.111 0.000 2.010 342 C HN 0.630 nan 8.230 nan 0.000 0.486 343 T N 0.502 114.987 114.554 -0.114 0.000 2.684 343 T HA -0.158 4.189 4.350 -0.005 0.000 0.267 343 T C 1.336 175.929 174.700 -0.177 0.000 1.036 343 T CA 2.039 63.986 62.100 -0.254 0.000 1.148 343 T CB -0.433 68.012 68.868 -0.705 0.000 0.863 343 T HN 0.554 nan 8.240 nan 0.000 0.436 344 D N 1.059 121.388 120.400 -0.119 0.000 2.178 344 D HA 0.048 4.685 4.640 -0.005 0.000 0.202 344 D C 2.304 178.674 176.300 0.116 0.000 0.974 344 D CA 0.996 55.008 54.000 0.019 0.000 0.841 344 D CB -0.399 40.481 40.800 0.134 0.000 0.953 344 D HN 0.394 nan 8.370 nan 0.000 0.478 345 A N 0.703 123.569 122.820 0.077 0.000 1.933 345 A HA -0.022 4.295 4.320 -0.005 0.000 0.218 345 A C 2.352 179.935 177.584 -0.003 0.000 1.175 345 A CA 1.955 54.019 52.037 0.044 0.000 0.628 345 A CB -0.935 18.085 19.000 0.033 0.000 0.814 345 A HN 0.302 nan 8.150 nan 0.000 0.444 346 G N -0.051 108.805 108.800 0.093 0.000 2.408 346 G HA2 -0.137 3.820 3.960 -0.005 0.000 0.217 346 G HA3 -0.137 3.820 3.960 -0.005 0.000 0.217 346 G C 1.519 176.490 174.900 0.119 0.000 1.150 346 G CA 1.028 46.171 45.100 0.072 0.000 0.776 346 G HN 0.471 nan 8.290 nan 0.000 0.542 347 I N -0.292 120.298 120.570 0.034 0.000 2.142 347 I HA -0.124 4.042 4.170 -0.005 0.000 0.240 347 I C 2.391 178.368 176.117 -0.233 0.000 1.078 347 I CA 1.063 62.259 61.300 -0.174 0.000 1.343 347 I CB -0.248 37.453 38.000 -0.499 0.000 1.046 347 I HN 0.073 nan 8.210 nan 0.000 0.405 348 F N 0.929 120.881 119.950 0.003 0.000 2.259 348 F HA -0.151 4.373 4.527 -0.006 0.000 0.298 348 F C 2.887 178.685 175.800 -0.004 0.000 1.088 348 F CA 1.301 59.287 58.000 -0.024 0.000 1.358 348 F CB -0.761 38.192 39.000 -0.079 0.000 1.040 348 F HN 0.105 nan 8.300 nan 0.000 0.505 349 S N -0.840 114.949 115.700 0.149 0.000 2.383 349 S HA -0.210 4.257 4.470 -0.005 0.000 0.227 349 S C 2.042 176.684 174.600 0.069 0.000 1.026 349 S CA 0.662 58.891 58.200 0.049 0.000 0.981 349 S CB -1.090 62.079 63.200 -0.052 0.000 0.818 349 S HN 0.495 nan 8.310 nan 0.000 0.472 350 W N 2.304 123.575 121.300 -0.048 0.000 2.388 350 W HA 0.039 4.696 4.660 -0.005 0.000 0.294 350 W C 2.575 179.175 176.519 0.136 0.000 1.212 350 W CA 1.259 58.640 57.345 0.060 0.000 1.271 350 W CB -0.184 29.361 29.460 0.141 0.000 1.126 350 W HN 0.412 nan 8.180 nan 0.000 0.535 351 K N 0.703 121.227 120.400 0.206 0.000 2.032 351 K HA -0.211 4.106 4.320 -0.005 0.000 0.209 351 K C 1.685 178.333 176.600 0.080 0.000 1.048 351 K CA 1.551 57.901 56.287 0.103 0.000 0.927 351 K CB -0.116 32.379 32.500 -0.008 0.000 0.712 351 K HN -0.068 nan 8.250 nan 0.000 0.441 352 E N 0.797 121.040 120.200 0.072 0.000 2.107 352 E HA -0.129 4.218 4.350 -0.005 0.000 0.191 352 E C 1.942 178.604 176.600 0.104 0.000 0.982 352 E CA 0.893 57.336 56.400 0.071 0.000 0.809 352 E CB 0.025 29.829 29.700 0.173 0.000 0.756 352 E HN 0.329 nan 8.360 nan 0.000 0.459 353 K N -0.104 120.268 120.400 -0.047 0.000 2.009 353 K HA -0.170 4.147 4.320 -0.005 0.000 0.210 353 K C 1.943 178.379 176.600 -0.274 0.000 1.049 353 K CA 1.631 57.769 56.287 -0.248 0.000 0.929 353 K CB -0.260 31.799 32.500 -0.735 0.000 0.714 353 K HN 0.178 nan 8.250 nan 0.000 0.440 354 W N 0.939 122.150 121.300 -0.147 0.000 2.937 354 W HA -0.047 4.610 4.660 -0.006 0.000 0.245 354 W C 2.075 178.561 176.519 -0.055 0.000 1.306 354 W CA 0.174 57.439 57.345 -0.134 0.000 1.470 354 W CB 0.104 29.439 29.460 -0.207 0.000 1.132 354 W HN 0.240 nan 8.180 nan 0.000 0.675 355 E N 0.385 120.628 120.200 0.073 0.000 2.033 355 E HA -0.148 4.199 4.350 -0.005 0.000 0.189 355 E C 1.541 178.063 176.600 -0.130 0.000 0.979 355 E CA 1.569 57.899 56.400 -0.116 0.000 0.802 355 E CB -0.728 28.740 29.700 -0.386 0.000 0.763 355 E HN 0.211 nan 8.360 nan 0.000 0.449 356 F N 0.861 120.897 119.950 0.144 0.000 2.335 356 F HA 0.256 4.780 4.527 -0.005 0.000 0.296 356 F C 0.718 176.628 175.800 0.183 0.000 1.091 356 F CA 1.010 59.102 58.000 0.153 0.000 1.399 356 F CB -0.214 38.894 39.000 0.181 0.000 1.067 356 F HN -0.002 nan 8.300 nan 0.000 0.520 357 E N -0.272 120.113 120.200 0.308 0.000 2.360 357 E HA -0.283 4.064 4.350 -0.005 0.000 0.238 357 E C -0.255 176.552 176.600 0.345 0.000 1.186 357 E CA -0.133 56.409 56.400 0.236 0.000 0.719 357 E CB -1.678 28.209 29.700 0.311 0.000 1.236 357 E HN 0.246 nan 8.360 nan 0.000 0.386 358 F N 1.476 121.571 119.950 0.242 0.000 2.484 358 F HA 0.167 4.691 4.527 -0.005 0.000 0.360 358 F C 0.841 176.950 175.800 0.515 0.000 1.101 358 F CA -0.502 57.672 58.000 0.290 0.000 1.251 358 F CB 0.407 39.570 39.000 0.272 0.000 1.132 358 F HN 0.092 nan 8.300 nan 0.000 0.570 359 W N 6.343 127.669 121.300 0.044 0.000 2.150 359 W HA 0.415 5.072 4.660 -0.005 0.000 0.341 359 W C -0.439 176.376 176.519 0.494 0.000 1.276 359 W CA -1.638 55.859 57.345 0.252 0.000 1.238 359 W CB -0.208 29.324 29.460 0.120 0.000 1.128 359 W HN 0.384 nan 8.180 nan 0.000 0.581 360 R N 2.383 123.197 120.500 0.523 0.000 2.582 360 R HA 0.112 4.449 4.340 -0.005 0.000 0.271 360 R C -1.350 174.889 176.300 -0.101 0.000 1.078 360 R CA -1.763 54.470 56.100 0.222 0.000 1.127 360 R CB -0.283 30.071 30.300 0.090 0.000 1.038 360 R HN 0.213 nan 8.270 nan 0.000 0.500 361 P HA -0.185 nan 4.420 nan 0.000 0.216 361 P C 1.374 178.485 177.300 -0.316 0.000 1.150 361 P CA 0.890 63.391 63.100 -0.998 0.000 0.843 361 P CB 0.136 31.227 31.700 -1.015 0.000 0.787 362 L N -0.607 120.574 121.223 -0.069 0.000 2.013 362 L HA -0.193 4.144 4.340 -0.005 0.000 0.212 362 L C 2.120 178.944 176.870 -0.078 0.000 1.073 362 L CA 2.153 57.032 54.840 0.066 0.000 0.753 362 L CB -1.353 40.675 42.059 -0.051 0.000 0.890 362 L HN -0.120 nan 8.230 nan 0.000 0.432 363 S N -0.402 115.168 115.700 -0.216 0.000 2.387 363 S HA -0.027 4.440 4.470 -0.005 0.000 0.226 363 S C 1.886 175.991 174.600 -0.826 0.000 1.026 363 S CA 0.838 58.823 58.200 -0.358 0.000 0.972 363 S CB -0.872 62.202 63.200 -0.211 0.000 0.814 363 S HN 0.699 nan 8.310 nan 0.000 0.477 364 G N 1.574 109.698 108.800 -1.126 0.000 2.446 364 G HA2 -0.172 3.784 3.960 -0.005 0.000 0.217 364 G HA3 -0.172 3.784 3.960 -0.005 0.000 0.217 364 G C 1.457 176.093 174.900 -0.441 0.000 1.168 364 G CA 1.108 45.446 45.100 -1.270 0.000 0.771 364 G HN 0.411 nan 8.290 nan 0.000 0.551 365 V N 0.535 120.275 119.914 -0.291 0.000 2.307 365 V HA -0.144 3.973 4.120 -0.005 0.000 0.245 365 V C 2.935 178.930 176.094 -0.164 0.000 1.045 365 V CA 2.014 64.170 62.300 -0.240 0.000 1.024 365 V CB -0.492 31.056 31.823 -0.457 0.000 0.651 365 V HN 0.292 nan 8.190 nan 0.000 0.449 366 R N 0.140 120.556 120.500 -0.140 0.000 2.070 366 R HA -0.135 4.201 4.340 -0.005 0.000 0.233 366 R C 1.629 177.836 176.300 -0.155 0.000 1.137 366 R CA 1.699 57.720 56.100 -0.131 0.000 0.945 366 R CB -0.341 29.887 30.300 -0.119 0.000 0.845 366 R HN 0.489 nan 8.270 nan 0.000 0.430 367 D N -0.039 120.244 120.400 -0.194 0.000 2.319 367 D HA -0.045 4.592 4.640 -0.005 0.000 0.230 367 D C 0.785 177.080 176.300 -0.008 0.000 1.094 367 D CA 0.366 54.307 54.000 -0.098 0.000 0.856 367 D CB 0.001 40.778 40.800 -0.039 0.000 0.915 367 D HN 0.203 nan 8.370 nan 0.000 0.517 368 D N 0.514 120.896 120.400 -0.030 0.000 2.133 368 D HA -0.197 4.440 4.640 -0.005 0.000 0.192 368 D C 1.829 178.178 176.300 0.081 0.000 1.001 368 D CA 2.660 56.712 54.000 0.087 0.000 0.844 368 D CB 0.105 40.956 40.800 0.085 0.000 0.944 368 D HN 0.256 nan 8.370 nan 0.000 0.447 369 G N -0.719 108.107 108.800 0.042 0.000 2.268 369 G HA2 -0.321 3.636 3.960 -0.005 0.000 0.240 369 G HA3 -0.321 3.636 3.960 -0.005 0.000 0.240 369 G C 0.292 175.223 174.900 0.051 0.000 1.010 369 G CA 0.218 45.340 45.100 0.036 0.000 0.618 369 G HN 0.458 nan 8.290 nan 0.000 0.516 370 R N 1.170 121.720 120.500 0.083 0.000 2.221 370 R HA 0.420 4.757 4.340 -0.005 0.000 0.327 370 R C -1.501 174.868 176.300 0.116 0.000 1.033 370 R CA -1.618 54.556 56.100 0.122 0.000 0.887 370 R CB 1.285 31.707 30.300 0.204 0.000 1.057 370 R HN 0.080 nan 8.270 nan 0.000 0.455 371 P HA -0.206 nan 4.420 nan 0.000 0.217 371 P C 0.041 177.360 177.300 0.032 0.000 1.148 371 P CA 1.327 64.459 63.100 0.054 0.000 0.834 371 P CB 0.282 32.009 31.700 0.045 0.000 0.783 372 D N -3.169 117.242 120.400 0.018 0.000 2.340 372 D HA 0.024 4.661 4.640 -0.005 0.000 0.217 372 D C 1.266 177.400 176.300 -0.277 0.000 1.081 372 D CA 0.452 54.385 54.000 -0.111 0.000 0.842 372 D CB 0.051 40.760 40.800 -0.152 0.000 0.934 372 D HN 0.397 nan 8.370 nan 0.000 0.511 373 H N -0.784 118.291 119.070 0.009 0.000 2.348 373 H HA 0.213 4.766 4.556 -0.005 0.000 0.233 373 H C 1.290 176.598 175.328 -0.034 0.000 0.889 373 H CA 0.278 56.327 56.048 0.001 0.000 1.034 373 H CB 0.715 30.499 29.762 0.036 0.000 1.393 373 H HN -0.000 nan 8.280 nan 0.000 0.422 374 G N 0.411 109.272 108.800 0.101 0.000 2.557 374 G HA2 0.263 4.219 3.960 -0.005 0.000 0.292 374 G HA3 0.263 4.219 3.960 -0.005 0.000 0.292 374 G C -0.918 173.966 174.900 -0.025 0.000 1.237 374 G CA -0.115 44.986 45.100 0.003 0.000 0.978 374 G HN 0.166 nan 8.290 nan 0.000 0.498 375 D N -0.525 119.845 120.400 -0.050 0.000 2.336 375 D HA 0.324 4.961 4.640 -0.005 0.000 0.248 375 D C -2.032 174.260 176.300 -0.014 0.000 1.326 375 D CA -1.750 52.264 54.000 0.022 0.000 0.973 375 D CB 1.912 42.738 40.800 0.043 0.000 1.255 375 D HN -0.051 nan 8.370 nan 0.000 0.558 376 P HA 0.019 nan 4.420 nan 0.000 0.226 376 P C 0.264 177.099 177.300 -0.775 0.000 1.146 376 P CA 0.851 63.639 63.100 -0.520 0.000 0.773 376 P CB -0.055 31.190 31.700 -0.759 0.000 0.772 377 F N -4.965 115.030 119.950 0.075 0.000 2.735 377 F HA 0.297 4.821 4.527 -0.005 0.000 0.308 377 F C 0.722 176.586 175.800 0.106 0.000 1.112 377 F CA -1.143 56.895 58.000 0.063 0.000 1.235 377 F CB -0.547 38.476 39.000 0.038 0.000 1.027 377 F HN -0.148 nan 8.300 nan 0.000 0.528 378 W N 2.893 124.206 121.300 0.022 0.000 2.170 378 W HA 0.496 5.152 4.660 -0.006 0.000 0.342 378 W C -0.932 175.567 176.519 -0.033 0.000 1.294 378 W CA -0.416 56.923 57.345 -0.009 0.000 1.246 378 W CB 0.450 29.876 29.460 -0.057 0.000 1.156 378 W HN -0.144 nan 8.180 nan 0.000 0.572 379 L N 4.851 125.647 121.223 -0.711 0.000 2.422 379 L HA 0.441 4.778 4.340 -0.005 0.000 0.264 379 L C 0.416 176.558 176.870 -1.214 0.000 0.984 379 L CA -1.037 53.379 54.840 -0.708 0.000 0.819 379 L CB 2.192 44.037 42.059 -0.357 0.000 1.330 379 L HN 0.496 nan 8.230 nan 0.000 0.410 380 T N -1.608 112.381 114.554 -0.942 0.000 2.936 380 T HA 0.325 4.672 4.350 -0.005 0.000 0.282 380 T C 0.647 175.088 174.700 -0.431 0.000 1.003 380 T CA -0.717 60.885 62.100 -0.830 0.000 1.005 380 T CB 1.599 70.093 68.868 -0.625 0.000 1.097 380 T HN 0.447 nan 8.240 nan 0.000 0.532 381 L N 1.500 122.545 121.223 -0.297 0.000 2.093 381 L HA 0.330 4.667 4.340 -0.005 0.000 0.208 381 L C 1.277 178.022 176.870 -0.208 0.000 1.085 381 L CA 2.394 57.117 54.840 -0.195 0.000 0.755 381 L CB -1.619 40.366 42.059 -0.123 0.000 0.904 381 L HN 1.419 nan 8.230 nan 0.000 0.435 382 G N -1.234 107.425 108.800 -0.235 0.000 2.860 382 G HA2 -0.040 3.917 3.960 -0.005 0.000 0.553 382 G HA3 -0.040 3.917 3.960 -0.005 0.000 0.553 382 G C -0.032 174.674 174.900 -0.324 0.000 1.439 382 G CA -0.313 44.626 45.100 -0.269 0.000 0.879 382 G HN 1.037 nan 8.290 nan 0.000 0.545 383 A N 2.065 124.584 122.820 -0.501 0.000 2.492 383 A HA 0.630 4.946 4.320 -0.005 0.000 0.254 383 A C -1.020 176.162 177.584 -0.670 0.000 1.091 383 A CA -0.225 51.424 52.037 -0.646 0.000 0.768 383 A CB 0.054 18.440 19.000 -1.024 0.000 1.028 383 A HN 0.829 nan 8.150 nan 0.000 0.498 384 P HA 0.136 nan 4.420 nan 0.000 0.267 384 P C -0.233 176.966 177.300 -0.169 0.000 1.209 384 P CA 0.298 63.250 63.100 -0.245 0.000 0.763 384 P CB 0.910 32.501 31.700 -0.181 0.000 0.816 385 A N 3.782 126.570 122.820 -0.053 0.000 3.078 385 A HA 0.298 4.615 4.320 -0.005 0.000 0.279 385 A C 0.577 178.162 177.584 0.002 0.000 1.594 385 A CA -0.241 51.856 52.037 0.100 0.000 1.301 385 A CB -0.927 18.168 19.000 0.157 0.000 1.162 385 A HN 0.450 nan 8.150 nan 0.000 0.585 386 T N 1.865 116.386 114.554 -0.054 0.000 2.919 386 T HA 0.175 4.522 4.350 -0.005 0.000 0.302 386 T C 0.623 175.250 174.700 -0.121 0.000 1.031 386 T CA -0.028 62.007 62.100 -0.109 0.000 1.127 386 T CB 0.164 68.926 68.868 -0.177 0.000 0.952 386 T HN 0.669 nan 8.240 nan 0.000 0.540 387 N N 0.412 119.041 118.700 -0.117 0.000 2.735 387 N HA -0.151 4.585 4.740 -0.005 0.000 0.248 387 N C -0.203 175.253 175.510 -0.090 0.000 1.083 387 N CA 1.403 54.372 53.050 -0.135 0.000 0.703 387 N CB -1.226 37.092 38.487 -0.282 0.000 1.005 387 N HN 0.817 nan 8.380 nan 0.000 0.550 388 T N -1.007 113.536 114.554 -0.019 0.000 2.769 388 T HA 0.401 4.747 4.350 -0.005 0.000 0.306 388 T C 0.098 174.817 174.700 0.032 0.000 1.400 388 T CA -0.334 61.784 62.100 0.029 0.000 1.007 388 T CB 0.719 69.595 68.868 0.013 0.000 1.392 388 T HN 0.171 nan 8.240 nan 0.000 0.500 389 N N 1.090 119.815 118.700 0.042 0.000 2.230 389 N HA 0.160 4.897 4.740 -0.005 0.000 0.202 389 N C -0.173 175.361 175.510 0.040 0.000 1.119 389 N CA -0.284 52.787 53.050 0.034 0.000 0.851 389 N CB -0.069 38.437 38.487 0.031 0.000 0.990 389 N HN 0.606 nan 8.380 nan 0.000 0.497 390 D N 1.321 121.752 120.400 0.051 0.000 2.357 390 D HA 0.183 4.820 4.640 -0.005 0.000 0.242 390 D C 0.589 176.948 176.300 0.098 0.000 1.153 390 D CA -0.566 53.479 54.000 0.075 0.000 0.918 390 D CB 0.985 41.824 40.800 0.064 0.000 1.181 390 D HN 0.330 nan 8.370 nan 0.000 0.435 391 I N -0.990 119.664 120.570 0.139 0.000 2.713 391 I HA 0.505 4.672 4.170 -0.005 0.000 0.300 391 I C -2.263 173.967 176.117 0.189 0.000 1.009 391 I CA -2.296 59.078 61.300 0.124 0.000 1.305 391 I CB 0.919 38.974 38.000 0.092 0.000 1.430 391 I HN 0.192 nan 8.210 nan 0.000 0.546 392 P HA 0.025 nan 4.420 nan 0.000 0.261 392 P C -1.045 176.314 177.300 0.098 0.000 1.173 392 P CA 0.530 63.612 63.100 -0.031 0.000 0.760 392 P CB 0.069 31.697 31.700 -0.121 0.000 0.783 393 F N 1.255 121.191 119.950 -0.024 0.000 2.780 393 F HA 0.770 5.294 4.527 -0.006 0.000 0.394 393 F C -0.276 175.485 175.800 -0.065 0.000 1.244 393 F CA -1.071 56.907 58.000 -0.037 0.000 1.133 393 F CB 1.145 39.916 39.000 -0.380 0.000 1.528 393 F HN -0.061 nan 8.300 nan 0.000 0.496 394 K N 0.117 120.631 120.400 0.191 0.000 2.513 394 K HA 0.356 4.673 4.320 -0.005 0.000 0.251 394 K C -3.040 173.629 176.600 0.115 0.000 0.939 394 K CA -1.790 54.503 56.287 0.010 0.000 0.793 394 K CB 2.038 34.517 32.500 -0.035 0.000 1.241 394 K HN 0.238 nan 8.250 nan 0.000 0.431 395 P HA -0.086 nan 4.420 nan 0.000 0.259 395 P C -2.157 174.802 177.300 -0.569 0.000 1.163 395 P CA -0.443 62.429 63.100 -0.380 0.000 0.760 395 P CB -0.064 31.134 31.700 -0.837 0.000 0.762 396 P HA 0.029 nan 4.420 nan 0.000 0.246 396 P C -0.951 176.615 177.300 0.444 0.000 1.675 396 P CA 0.455 63.687 63.100 0.220 0.000 0.908 396 P CB -0.859 31.002 31.700 0.268 0.000 1.890 397 F N -3.083 116.934 119.950 0.111 0.000 2.713 397 F HA 0.677 5.201 4.527 -0.005 0.000 0.311 397 F C -3.093 172.200 175.800 -0.845 0.000 1.141 397 F CA -3.555 54.077 58.000 -0.613 0.000 0.939 397 F CB -0.033 38.752 39.000 -0.358 0.000 1.325 397 F HN -0.336 nan 8.300 nan 0.000 0.453 398 P HA 0.172 nan 4.420 nan 0.000 0.270 398 P C 0.013 177.239 177.300 -0.124 0.000 1.221 398 P CA 0.724 63.487 63.100 -0.561 0.000 0.788 398 P CB 0.842 32.127 31.700 -0.693 0.000 0.904 399 A N 1.665 124.613 122.820 0.212 0.000 1.855 399 A HA -0.093 4.224 4.320 -0.005 0.000 0.213 399 A C 0.620 178.389 177.584 0.309 0.000 1.195 399 A CA 1.216 53.446 52.037 0.322 0.000 0.610 399 A CB -1.208 18.171 19.000 0.632 0.000 0.837 399 A HN 0.597 nan 8.150 nan 0.000 0.444 400 Y N 2.633 123.086 120.300 0.256 0.000 2.365 400 Y HA 0.410 4.957 4.550 -0.005 0.000 0.340 400 Y C -2.421 173.527 175.900 0.080 0.000 1.016 400 Y CA -2.671 55.502 58.100 0.123 0.000 1.196 400 Y CB 1.044 39.486 38.460 -0.029 0.000 1.167 400 Y HN 0.189 nan 8.280 nan 0.000 0.509 401 P HA 0.104 nan 4.420 nan 0.000 0.283 401 P C -0.913 176.288 177.300 -0.165 0.000 1.278 401 P CA -0.661 62.169 63.100 -0.450 0.000 0.834 401 P CB 1.571 32.956 31.700 -0.524 0.000 1.150 402 S N -0.363 115.279 115.700 -0.095 0.000 2.516 402 S HA 0.210 4.677 4.470 -0.005 0.000 0.282 402 S C 1.867 176.457 174.600 -0.016 0.000 1.286 402 S CA 0.215 58.410 58.200 -0.008 0.000 1.066 402 S CB -0.766 62.437 63.200 0.005 0.000 0.884 402 S HN 0.567 nan 8.310 nan 0.000 0.491 403 G N 3.574 112.420 108.800 0.076 0.000 2.421 403 G HA2 -0.203 3.754 3.960 -0.005 0.000 0.216 403 G HA3 -0.203 3.754 3.960 -0.005 0.000 0.216 403 G C 1.156 176.079 174.900 0.038 0.000 1.171 403 G CA 0.951 46.072 45.100 0.035 0.000 0.775 403 G HN 0.877 nan 8.290 nan 0.000 0.543 404 H N 0.772 119.978 119.070 0.226 0.000 2.319 404 H HA 0.060 4.613 4.556 -0.005 0.000 0.299 404 H C 2.882 178.282 175.328 0.120 0.000 1.092 404 H CA 1.760 58.009 56.048 0.336 0.000 1.302 404 H CB -0.228 29.688 29.762 0.257 0.000 1.373 404 H HN 0.378 nan 8.280 nan 0.000 0.497 405 A N -0.388 122.490 122.820 0.098 0.000 1.908 405 A HA -0.208 4.109 4.320 -0.005 0.000 0.218 405 A C 2.433 179.933 177.584 -0.141 0.000 1.181 405 A CA 2.219 54.211 52.037 -0.075 0.000 0.627 405 A CB -0.928 18.004 19.000 -0.113 0.000 0.818 405 A HN 0.490 nan 8.150 nan 0.000 0.445 406 T N -0.463 113.994 114.554 -0.161 0.000 2.737 406 T HA -0.077 4.270 4.350 -0.005 0.000 0.265 406 T C 1.566 176.160 174.700 -0.176 0.000 1.038 406 T CA 1.461 63.436 62.100 -0.209 0.000 1.144 406 T CB -0.427 68.291 68.868 -0.251 0.000 0.866 406 T HN 0.334 nan 8.240 nan 0.000 0.434 407 F N 1.888 121.760 119.950 -0.131 0.000 2.069 407 F HA 0.021 4.545 4.527 -0.006 0.000 0.298 407 F C 2.767 178.228 175.800 -0.565 0.000 1.113 407 F CA 0.934 58.782 58.000 -0.254 0.000 1.214 407 F CB -1.401 37.542 39.000 -0.095 0.000 0.978 407 F HN 0.239 nan 8.300 nan 0.000 0.474 408 G N -0.616 107.945 108.800 -0.399 0.000 2.418 408 G HA2 -0.162 3.795 3.960 -0.005 0.000 0.217 408 G HA3 -0.162 3.795 3.960 -0.005 0.000 0.217 408 G C 2.066 176.774 174.900 -0.320 0.000 1.158 408 G CA 0.888 45.654 45.100 -0.556 0.000 0.771 408 G HN 0.563 nan 8.290 nan 0.000 0.545 409 G N 1.138 109.792 108.800 -0.243 0.000 2.446 409 G HA2 0.009 3.966 3.960 -0.005 0.000 0.217 409 G HA3 0.009 3.966 3.960 -0.005 0.000 0.217 409 G C 2.044 176.836 174.900 -0.180 0.000 1.168 409 G CA 1.695 46.666 45.100 -0.213 0.000 0.771 409 G HN 0.657 nan 8.290 nan 0.000 0.551 410 A N 0.079 122.778 122.820 -0.201 0.000 1.841 410 A HA 0.086 4.403 4.320 -0.005 0.000 0.214 410 A C 2.628 180.075 177.584 -0.230 0.000 1.195 410 A CA 1.929 53.864 52.037 -0.170 0.000 0.611 410 A CB -0.873 18.052 19.000 -0.125 0.000 0.835 410 A HN 0.266 nan 8.150 nan 0.000 0.443 411 V N -0.940 118.729 119.914 -0.410 0.000 2.287 411 V HA -0.271 3.846 4.120 -0.005 0.000 0.248 411 V C 2.359 178.133 176.094 -0.533 0.000 1.053 411 V CA 2.301 64.251 62.300 -0.583 0.000 1.027 411 V CB -1.012 30.221 31.823 -0.982 0.000 0.646 411 V HN 0.557 nan 8.190 nan 0.000 0.447 412 F N -0.278 119.558 119.950 -0.190 0.000 2.456 412 F HA -0.018 4.506 4.527 -0.005 0.000 0.298 412 F C 2.392 178.165 175.800 -0.045 0.000 1.104 412 F CA 1.089 59.014 58.000 -0.125 0.000 1.435 412 F CB -0.718 38.186 39.000 -0.161 0.000 1.078 412 F HN 0.166 nan 8.300 nan 0.000 0.546 413 Q N 0.244 120.090 119.800 0.078 0.000 2.123 413 Q HA -0.152 4.185 4.340 -0.005 0.000 0.199 413 Q C 2.104 178.119 176.000 0.025 0.000 0.966 413 Q CA 1.390 57.248 55.803 0.091 0.000 0.845 413 Q CB -0.347 28.425 28.738 0.057 0.000 0.907 413 Q HN 0.303 nan 8.270 nan 0.000 0.439 414 M N -0.869 118.714 119.600 -0.028 0.000 2.086 414 M HA -0.097 4.380 4.480 -0.005 0.000 0.261 414 M C 1.779 178.076 176.300 -0.005 0.000 1.067 414 M CA 1.409 56.677 55.300 -0.052 0.000 1.116 414 M CB -0.568 31.993 32.600 -0.066 0.000 1.348 414 M HN 0.119 nan 8.290 nan 0.000 0.407 415 V N 0.181 120.132 119.914 0.062 0.000 2.332 415 V HA -0.315 3.801 4.120 -0.005 0.000 0.248 415 V C 2.426 178.735 176.094 0.358 0.000 1.055 415 V CA 2.139 64.578 62.300 0.231 0.000 1.038 415 V CB -0.701 31.267 31.823 0.242 0.000 0.651 415 V HN 0.476 nan 8.190 nan 0.000 0.450 416 R N -0.583 120.071 120.500 0.256 0.000 2.073 416 R HA -0.094 4.243 4.340 -0.005 0.000 0.234 416 R C 2.581 179.094 176.300 0.355 0.000 1.134 416 R CA 1.197 57.521 56.100 0.372 0.000 0.952 416 R CB -0.341 30.112 30.300 0.256 0.000 0.850 416 R HN 0.348 nan 8.270 nan 0.000 0.433 417 R N -0.220 120.272 120.500 -0.014 0.000 2.081 417 R HA -0.163 4.174 4.340 -0.005 0.000 0.235 417 R C 2.071 178.101 176.300 -0.449 0.000 1.131 417 R CA 1.411 57.237 56.100 -0.457 0.000 0.960 417 R CB -0.826 28.760 30.300 -1.189 0.000 0.856 417 R HN 0.352 nan 8.270 nan 0.000 0.436 418 Y N 0.011 120.100 120.300 -0.353 0.000 2.200 418 Y HA -0.214 4.332 4.550 -0.006 0.000 0.290 418 Y C 1.443 177.234 175.900 -0.181 0.000 1.137 418 Y CA 1.515 59.523 58.100 -0.153 0.000 1.163 418 Y CB -0.145 38.215 38.460 -0.168 0.000 0.988 418 Y HN -0.013 nan 8.280 nan 0.000 0.518 419 Y N -0.644 119.752 120.300 0.159 0.000 2.466 419 Y HA 0.098 4.646 4.550 -0.004 0.000 0.272 419 Y C 0.723 176.581 175.900 -0.069 0.000 1.169 419 Y CA -0.205 57.949 58.100 0.091 0.000 1.285 419 Y CB -0.386 38.191 38.460 0.196 0.000 1.078 419 Y HN -0.038 nan 8.280 nan 0.000 0.523 420 N N 0.977 119.590 118.700 -0.145 0.000 2.447 420 N HA 0.108 4.845 4.740 -0.005 0.000 0.263 420 N C 1.142 176.328 175.510 -0.541 0.000 1.226 420 N CA 1.535 54.065 53.050 -0.866 0.000 0.906 420 N CB 0.612 38.574 38.487 -0.876 0.000 1.060 420 N HN 0.568 nan 8.380 nan 0.000 0.468 421 G N 3.119 111.583 108.800 -0.560 0.000 2.195 421 G HA2 -0.294 3.663 3.960 -0.005 0.000 0.246 421 G HA3 -0.294 3.663 3.960 -0.005 0.000 0.246 421 G C 0.998 175.813 174.900 -0.142 0.000 0.984 421 G CA 0.576 45.505 45.100 -0.286 0.000 0.633 421 G HN 0.655 nan 8.290 nan 0.000 0.525 422 R N -0.652 119.791 120.500 -0.096 0.000 2.164 422 R HA 0.451 4.787 4.340 -0.005 0.000 0.198 422 R C 2.106 178.458 176.300 0.086 0.000 1.028 422 R CA 1.151 57.266 56.100 0.025 0.000 1.083 422 R CB 0.228 30.569 30.300 0.069 0.000 1.026 422 R HN 0.329 nan 8.270 nan 0.000 0.514 423 V N -0.264 119.706 119.914 0.093 0.000 3.431 423 V HA 0.391 4.508 4.120 -0.005 0.000 0.253 423 V C 0.762 176.946 176.094 0.149 0.000 1.184 423 V CA 0.914 63.252 62.300 0.064 0.000 1.104 423 V CB 1.081 32.808 31.823 -0.160 0.000 0.799 423 V HN 0.555 nan 8.190 nan 0.000 0.462 424 G N -0.134 108.767 108.800 0.168 0.000 2.341 424 G HA2 0.488 4.445 3.960 -0.005 0.000 0.299 424 G HA3 0.488 4.445 3.960 -0.005 0.000 0.299 424 G C -0.976 173.891 174.900 -0.056 0.000 1.274 424 G CA 0.256 45.469 45.100 0.188 0.000 0.853 424 G HN 0.135 nan 8.290 nan 0.000 0.493 425 T N -1.995 112.570 114.554 0.019 0.000 2.881 425 T HA 0.748 5.094 4.350 -0.005 0.000 0.290 425 T C -0.997 173.723 174.700 0.034 0.000 1.000 425 T CA -0.467 61.506 62.100 -0.213 0.000 0.978 425 T CB 1.547 70.334 68.868 -0.135 0.000 0.997 425 T HN 1.747 nan 8.240 nan 0.000 0.443 426 W N 0.180 121.440 121.300 -0.067 0.000 3.066 426 W HA 0.798 5.456 4.660 -0.004 0.000 0.330 426 W C -1.469 174.991 176.519 -0.098 0.000 1.253 426 W CA -1.318 55.968 57.345 -0.098 0.000 1.187 426 W CB 0.773 30.151 29.460 -0.137 0.000 1.434 426 W HN 0.519 nan 8.180 nan 0.000 0.572 427 K N 1.858 122.336 120.400 0.131 0.000 2.298 427 K HA 0.115 4.432 4.320 -0.005 0.000 0.280 427 K C 0.848 177.533 176.600 0.141 0.000 1.032 427 K CA 0.040 56.356 56.287 0.049 0.000 0.958 427 K CB 0.428 32.933 32.500 0.010 0.000 0.978 427 K HN 0.466 nan 8.250 nan 0.000 0.472 428 D N 1.599 122.052 120.400 0.089 0.000 2.357 428 D HA -0.165 4.471 4.640 -0.005 0.000 0.216 428 D C 0.270 176.636 176.300 0.109 0.000 0.973 428 D CA 1.165 55.249 54.000 0.139 0.000 0.912 428 D CB 0.212 41.053 40.800 0.068 0.000 0.900 428 D HN 0.625 nan 8.370 nan 0.000 0.501 429 D N -0.514 119.906 120.400 0.034 0.000 2.479 429 D HA 0.047 4.683 4.640 -0.005 0.000 0.218 429 D C 0.179 176.322 176.300 -0.262 0.000 1.177 429 D CA -0.076 53.930 54.000 0.011 0.000 0.830 429 D CB 0.353 41.206 40.800 0.089 0.000 1.014 429 D HN 0.112 nan 8.370 nan 0.000 0.503 430 E N 1.374 121.326 120.200 -0.414 0.000 2.299 430 E HA 0.360 4.707 4.350 -0.005 0.000 0.265 430 E C -2.641 173.351 176.600 -1.012 0.000 0.911 430 E CA -2.409 53.600 56.400 -0.652 0.000 0.789 430 E CB 2.138 31.673 29.700 -0.276 0.000 1.246 430 E HN -0.061 nan 8.360 nan 0.000 0.427 431 P HA -0.127 nan 4.420 nan 0.000 0.263 431 P C -0.845 176.037 177.300 -0.697 0.000 1.175 431 P CA 0.583 63.063 63.100 -1.033 0.000 0.761 431 P CB 0.615 31.945 31.700 -0.616 0.000 0.794 432 D N 2.552 122.443 120.400 -0.849 0.000 2.539 432 D HA 0.100 4.737 4.640 -0.005 0.000 0.276 432 D C 0.398 176.340 176.300 -0.597 0.000 1.206 432 D CA -0.470 52.782 54.000 -1.245 0.000 1.081 432 D CB 0.564 40.113 40.800 -2.085 0.000 1.142 432 D HN 0.353 nan 8.370 nan 0.000 0.595 433 N N -0.494 117.894 118.700 -0.520 0.000 2.365 433 N HA 0.104 4.841 4.740 -0.005 0.000 0.257 433 N C -0.419 175.004 175.510 -0.146 0.000 1.287 433 N CA -0.373 52.571 53.050 -0.176 0.000 0.882 433 N CB -0.127 38.359 38.487 -0.001 0.000 1.250 433 N HN 0.374 nan 8.380 nan 0.000 0.507 434 I N 1.571 121.976 120.570 -0.275 0.000 2.270 434 I HA 0.216 4.382 4.170 -0.005 0.000 0.300 434 I C 0.673 176.769 176.117 -0.036 0.000 1.186 434 I CA -0.387 60.777 61.300 -0.228 0.000 1.431 434 I CB -0.098 37.723 38.000 -0.299 0.000 1.485 434 I HN 0.146 nan 8.210 nan 0.000 0.650 435 A N 7.807 130.691 122.820 0.106 0.000 2.302 435 A HA 0.876 5.192 4.320 -0.005 0.000 0.285 435 A C -0.163 177.538 177.584 0.196 0.000 1.105 435 A CA -0.362 51.748 52.037 0.120 0.000 0.816 435 A CB 0.758 19.872 19.000 0.191 0.000 1.067 435 A HN 0.738 nan 8.150 nan 0.000 0.489 436 I N -1.664 118.968 120.570 0.103 0.000 3.006 436 I HA 0.832 4.999 4.170 -0.005 0.000 0.306 436 I C -1.695 174.549 176.117 0.212 0.000 1.250 436 I CA -1.088 60.310 61.300 0.163 0.000 0.996 436 I CB 2.776 40.872 38.000 0.160 0.000 1.261 436 I HN 0.667 nan 8.210 nan 0.000 0.442 437 D N 3.637 124.191 120.400 0.256 0.000 2.626 437 D HA 0.576 5.213 4.640 -0.005 0.000 0.278 437 D C -0.095 176.318 176.300 0.188 0.000 1.211 437 D CA -0.687 53.484 54.000 0.286 0.000 0.903 437 D CB 0.912 41.913 40.800 0.336 0.000 1.408 437 D HN 0.646 nan 8.370 nan 0.000 0.454 438 M N -1.776 117.918 119.600 0.157 0.000 2.872 438 M HA -0.177 4.300 4.480 -0.005 0.000 0.200 438 M C -0.424 175.967 176.300 0.150 0.000 0.582 438 M CA 0.364 55.737 55.300 0.122 0.000 0.706 438 M CB -2.224 30.430 32.600 0.091 0.000 2.560 438 M HN 0.729 nan 8.290 nan 0.000 0.476 439 M N 1.139 120.868 119.600 0.214 0.000 2.105 439 M HA 0.569 5.046 4.480 -0.005 0.000 0.350 439 M C -0.406 176.095 176.300 0.335 0.000 1.308 439 M CA 0.174 55.642 55.300 0.280 0.000 1.108 439 M CB 0.318 33.151 32.600 0.389 0.000 1.622 439 M HN 0.232 nan 8.290 nan 0.000 0.468 440 I N 2.814 123.529 120.570 0.242 0.000 2.433 440 I HA 0.366 4.533 4.170 -0.005 0.000 0.292 440 I C -0.213 175.921 176.117 0.027 0.000 1.001 440 I CA -0.734 60.668 61.300 0.170 0.000 1.119 440 I CB 2.118 40.170 38.000 0.086 0.000 1.289 440 I HN 0.623 nan 8.210 nan 0.000 0.438 441 S N 3.830 119.357 115.700 -0.289 0.000 2.554 441 S HA 0.231 4.698 4.470 -0.005 0.000 0.278 441 S C 0.816 175.180 174.600 -0.393 0.000 1.242 441 S CA -0.442 57.331 58.200 -0.713 0.000 1.051 441 S CB 1.003 63.302 63.200 -1.502 0.000 0.986 441 S HN 0.672 nan 8.310 nan 0.000 0.502 442 E N 2.031 122.021 120.200 -0.351 0.000 2.478 442 E HA -0.053 4.294 4.350 -0.005 0.000 0.198 442 E C 1.076 177.432 176.600 -0.407 0.000 1.046 442 E CA 0.386 56.586 56.400 -0.333 0.000 0.870 442 E CB 0.178 29.679 29.700 -0.331 0.000 0.818 442 E HN 0.619 nan 8.360 nan 0.000 0.527 443 E N -0.059 119.855 120.200 -0.477 0.000 2.285 443 E HA -0.002 4.345 4.350 -0.005 0.000 0.194 443 E C 0.512 176.973 176.600 -0.232 0.000 0.997 443 E CA 0.639 56.816 56.400 -0.373 0.000 0.845 443 E CB 0.458 29.942 29.700 -0.361 0.000 0.782 443 E HN 0.241 nan 8.360 nan 0.000 0.491 444 L N 2.279 123.380 121.223 -0.203 0.000 2.511 444 L HA 0.212 4.549 4.340 -0.005 0.000 0.252 444 L C 0.110 176.940 176.870 -0.066 0.000 1.542 444 L CA -0.355 54.428 54.840 -0.096 0.000 0.822 444 L CB 0.529 42.574 42.059 -0.023 0.000 1.050 444 L HN -0.075 nan 8.230 nan 0.000 0.516 445 N N -0.246 118.405 118.700 -0.081 0.000 2.170 445 N HA 0.134 4.871 4.740 -0.005 0.000 0.222 445 N C 1.010 176.498 175.510 -0.037 0.000 1.218 445 N CA 0.296 53.314 53.050 -0.053 0.000 0.889 445 N CB 1.118 39.559 38.487 -0.076 0.000 1.083 445 N HN 0.374 nan 8.380 nan 0.000 0.520 446 G N -0.472 108.307 108.800 -0.036 0.000 2.168 446 G HA2 -0.287 3.670 3.960 -0.005 0.000 0.263 446 G HA3 -0.287 3.670 3.960 -0.005 0.000 0.263 446 G C 0.426 175.307 174.900 -0.032 0.000 0.977 446 G CA 0.714 45.798 45.100 -0.026 0.000 0.659 446 G HN 0.309 nan 8.290 nan 0.000 0.533 447 V N -0.467 119.419 119.914 -0.046 0.000 3.102 447 V HA 0.224 4.340 4.120 -0.005 0.000 0.225 447 V C 1.369 177.430 176.094 -0.055 0.000 1.301 447 V CA 0.594 62.868 62.300 -0.044 0.000 1.308 447 V CB -0.164 31.631 31.823 -0.046 0.000 1.129 447 V HN 0.325 nan 8.190 nan 0.000 0.502 448 N N 2.704 121.354 118.700 -0.083 0.000 2.415 448 N HA 0.284 5.021 4.740 -0.005 0.000 0.248 448 N C -0.043 175.417 175.510 -0.084 0.000 1.271 448 N CA 0.284 53.273 53.050 -0.102 0.000 0.913 448 N CB 0.490 38.882 38.487 -0.159 0.000 1.129 448 N HN 0.490 nan 8.380 nan 0.000 0.444 449 R N -0.431 120.022 120.500 -0.078 0.000 2.762 449 R HA 0.357 4.694 4.340 -0.005 0.000 0.271 449 R C -1.850 174.418 176.300 -0.053 0.000 1.038 449 R CA -0.691 55.374 56.100 -0.058 0.000 0.906 449 R CB 0.720 31.000 30.300 -0.034 0.000 1.259 449 R HN 0.274 nan 8.270 nan 0.000 0.457 450 D N 1.998 122.374 120.400 -0.039 0.000 2.412 450 D HA 0.328 4.965 4.640 -0.005 0.000 0.224 450 D C 0.091 176.384 176.300 -0.011 0.000 1.093 450 D CA -0.339 53.644 54.000 -0.029 0.000 0.850 450 D CB 1.308 42.089 40.800 -0.032 0.000 1.046 450 D HN 0.240 nan 8.370 nan 0.000 0.507 451 L N 1.882 123.107 121.223 0.004 0.000 2.461 451 L HA 0.175 4.511 4.340 -0.005 0.000 0.272 451 L C 1.994 178.872 176.870 0.014 0.000 1.197 451 L CA -0.148 54.704 54.840 0.019 0.000 0.836 451 L CB 0.938 43.025 42.059 0.047 0.000 1.105 451 L HN 0.192 nan 8.230 nan 0.000 0.477 452 R N 0.628 121.135 120.500 0.011 0.000 2.246 452 R HA 0.017 4.354 4.340 -0.005 0.000 0.199 452 R C 0.014 176.321 176.300 0.010 0.000 0.984 452 R CA 0.296 56.400 56.100 0.007 0.000 1.015 452 R CB 0.173 30.474 30.300 0.002 0.000 0.930 452 R HN 0.614 nan 8.270 nan 0.000 0.475 453 Q N 0.208 120.017 119.800 0.015 0.000 2.544 453 Q HA 0.450 4.787 4.340 -0.005 0.000 0.291 453 Q C -3.068 172.949 176.000 0.028 0.000 1.068 453 Q CA -2.997 52.815 55.803 0.014 0.000 0.785 453 Q CB 0.976 29.716 28.738 0.003 0.000 1.481 453 Q HN -0.274 nan 8.270 nan 0.000 0.430 454 P HA -0.033 nan 4.420 nan 0.000 0.266 454 P C -0.869 176.465 177.300 0.056 0.000 1.193 454 P CA 0.080 63.206 63.100 0.044 0.000 0.770 454 P CB -0.012 31.701 31.700 0.021 0.000 0.836 455 Y N 2.638 122.928 120.300 -0.016 0.000 2.610 455 Y HA 0.081 4.627 4.550 -0.005 0.000 0.332 455 Y C 0.230 176.118 175.900 -0.019 0.000 1.201 455 Y CA 0.036 58.124 58.100 -0.020 0.000 1.465 455 Y CB 0.046 38.492 38.460 -0.024 0.000 1.283 455 Y HN 0.268 nan 8.280 nan 0.000 0.563 456 D N 8.376 128.283 120.400 -0.822 0.000 2.441 456 D HA 0.275 4.912 4.640 -0.005 0.000 0.231 456 D C -2.146 173.532 176.300 -1.037 0.000 1.073 456 D CA -2.601 50.989 54.000 -0.684 0.000 0.850 456 D CB 1.516 42.123 40.800 -0.322 0.000 1.062 456 D HN 0.396 nan 8.370 nan 0.000 0.524 457 P HA -0.039 nan 4.420 nan 0.000 0.242 457 P C 0.789 177.989 177.300 -0.168 0.000 1.197 457 P CA 0.617 63.469 63.100 -0.414 0.000 0.765 457 P CB 0.104 31.730 31.700 -0.123 0.000 0.936 458 T N -4.284 110.161 114.554 -0.182 0.000 3.040 458 T HA 0.480 4.827 4.350 -0.005 0.000 0.250 458 T C 0.783 175.436 174.700 -0.078 0.000 1.058 458 T CA -0.195 61.848 62.100 -0.095 0.000 0.988 458 T CB 0.039 68.858 68.868 -0.082 0.000 0.993 458 T HN 0.043 nan 8.240 nan 0.000 0.519 459 A N 2.712 125.468 122.820 -0.107 0.000 2.365 459 A HA 0.792 5.109 4.320 -0.005 0.000 0.318 459 A C -2.870 174.702 177.584 -0.021 0.000 1.091 459 A CA -2.293 49.706 52.037 -0.063 0.000 0.763 459 A CB 1.275 20.230 19.000 -0.074 0.000 1.248 459 A HN 0.184 nan 8.150 nan 0.000 0.442 460 P HA 0.085 nan 4.420 nan 0.000 0.271 460 P C 0.800 178.128 177.300 0.047 0.000 1.218 460 P CA -0.223 62.896 63.100 0.031 0.000 0.780 460 P CB 0.804 32.512 31.700 0.013 0.000 0.901 461 I N 2.628 123.243 120.570 0.075 0.000 2.315 461 I HA -0.286 3.881 4.170 -0.005 0.000 0.251 461 I C 1.772 177.908 176.117 0.033 0.000 1.125 461 I CA 1.845 63.191 61.300 0.077 0.000 1.392 461 I CB -0.751 37.276 38.000 0.046 0.000 1.065 461 I HN 0.333 nan 8.210 nan 0.000 0.424 462 E N 0.084 120.293 120.200 0.015 0.000 2.265 462 E HA -0.174 4.173 4.350 -0.005 0.000 0.196 462 E C 1.275 177.877 176.600 0.002 0.000 0.996 462 E CA 1.202 57.604 56.400 0.003 0.000 0.832 462 E CB -0.258 29.441 29.700 -0.002 0.000 0.756 462 E HN 0.490 nan 8.360 nan 0.000 0.491 463 D N 0.208 120.610 120.400 0.004 0.000 2.325 463 D HA 0.032 4.669 4.640 -0.005 0.000 0.225 463 D C -0.331 175.966 176.300 -0.004 0.000 1.096 463 D CA 0.242 54.240 54.000 -0.003 0.000 0.844 463 D CB 0.151 40.946 40.800 -0.009 0.000 0.925 463 D HN 0.216 nan 8.370 nan 0.000 0.513 464 Q N 0.967 120.771 119.800 0.006 0.000 2.333 464 Q HA 0.371 4.708 4.340 -0.005 0.000 0.265 464 Q C -2.531 173.474 176.000 0.009 0.000 0.989 464 Q CA -2.035 53.774 55.803 0.009 0.000 0.842 464 Q CB 2.087 30.844 28.738 0.031 0.000 1.262 464 Q HN -0.114 nan 8.270 nan 0.000 0.451 465 P HA 0.125 nan 4.420 nan 0.000 0.265 465 P C -0.304 176.998 177.300 0.004 0.000 1.193 465 P CA 0.325 63.426 63.100 0.001 0.000 0.765 465 P CB 0.692 32.390 31.700 -0.002 0.000 0.823 466 G N 1.865 110.664 108.800 -0.001 0.000 2.322 466 G HA2 0.315 4.271 3.960 -0.005 0.000 0.295 466 G HA3 0.315 4.271 3.960 -0.005 0.000 0.295 466 G C -1.639 173.255 174.900 -0.010 0.000 1.369 466 G CA -0.790 44.308 45.100 -0.003 0.000 0.821 466 G HN 0.368 nan 8.290 nan 0.000 0.536 467 I N 1.292 121.853 120.570 -0.015 0.000 2.312 467 I HA 0.274 4.440 4.170 -0.005 0.000 0.291 467 I C 0.496 176.597 176.117 -0.025 0.000 1.031 467 I CA -0.728 60.560 61.300 -0.019 0.000 1.293 467 I CB 1.355 39.343 38.000 -0.021 0.000 1.403 467 I HN 0.159 nan 8.210 nan 0.000 0.484 468 V N 7.165 127.065 119.914 -0.023 0.000 2.637 468 V HA 0.139 4.256 4.120 -0.005 0.000 0.296 468 V C 0.822 176.896 176.094 -0.033 0.000 1.046 468 V CA -0.629 61.654 62.300 -0.029 0.000 1.066 468 V CB 0.297 32.107 31.823 -0.022 0.000 0.968 468 V HN 0.606 nan 8.190 nan 0.000 0.483 469 R N 2.694 123.166 120.500 -0.046 0.000 2.442 469 R HA 0.210 4.547 4.340 -0.005 0.000 0.291 469 R C 0.278 176.558 176.300 -0.034 0.000 1.069 469 R CA -0.120 55.950 56.100 -0.050 0.000 1.022 469 R CB 0.334 30.587 30.300 -0.079 0.000 0.976 469 R HN 0.733 nan 8.270 nan 0.000 0.443 470 T N 3.698 118.241 114.554 -0.019 0.000 2.908 470 T HA -0.014 4.333 4.350 -0.005 0.000 0.301 470 T C 0.835 175.540 174.700 0.008 0.000 1.019 470 T CA 0.158 62.258 62.100 0.001 0.000 1.152 470 T CB 0.424 69.302 68.868 0.017 0.000 0.966 470 T HN 0.270 nan 8.240 nan 0.000 0.540 471 R N 3.458 123.967 120.500 0.015 0.000 2.296 471 R HA 0.341 4.678 4.340 -0.005 0.000 0.323 471 R C -0.723 175.613 176.300 0.059 0.000 1.067 471 R CA -0.149 55.966 56.100 0.025 0.000 0.946 471 R CB 0.015 30.325 30.300 0.016 0.000 0.991 471 R HN 0.607 nan 8.270 nan 0.000 0.448 472 I N 5.503 126.128 120.570 0.092 0.000 2.410 472 I HA 0.212 4.379 4.170 -0.005 0.000 0.286 472 I C -0.646 175.573 176.117 0.170 0.000 1.009 472 I CA -1.071 60.315 61.300 0.144 0.000 1.111 472 I CB 2.097 40.203 38.000 0.177 0.000 1.262 472 I HN 0.308 nan 8.210 nan 0.000 0.443 473 V N 6.803 126.797 119.914 0.133 0.000 2.383 473 V HA 0.469 4.586 4.120 -0.005 0.000 0.275 473 V C 0.289 176.449 176.094 0.110 0.000 1.036 473 V CA -0.685 61.692 62.300 0.129 0.000 0.889 473 V CB 1.006 32.879 31.823 0.084 0.000 0.985 473 V HN 0.612 nan 8.190 nan 0.000 0.459 474 R N 2.181 122.752 120.500 0.118 0.000 2.758 474 R HA 0.619 4.955 4.340 -0.005 0.000 0.265 474 R C -0.846 175.438 176.300 -0.027 0.000 1.016 474 R CA -0.912 55.157 56.100 -0.052 0.000 1.040 474 R CB 1.977 32.099 30.300 -0.297 0.000 1.152 474 R HN 0.913 nan 8.270 nan 0.000 0.503 475 H N 0.050 118.934 119.070 -0.310 0.000 2.806 475 H HA 0.559 5.112 4.556 -0.005 0.000 0.367 475 H C -1.568 173.535 175.328 -0.375 0.000 1.136 475 H CA -0.481 55.469 56.048 -0.164 0.000 1.178 475 H CB 0.928 30.644 29.762 -0.077 0.000 1.718 475 H HN 0.362 nan 8.280 nan 0.000 0.540 476 F N 2.193 121.732 119.950 -0.684 0.000 2.576 476 F HA 0.239 4.763 4.527 -0.005 0.000 0.313 476 F C 0.593 176.039 175.800 -0.591 0.000 1.078 476 F CA -0.720 57.023 58.000 -0.430 0.000 0.921 476 F CB 2.173 41.069 39.000 -0.172 0.000 1.232 476 F HN 0.603 nan 8.300 nan 0.000 0.459 477 D N 0.246 120.598 120.400 -0.081 0.000 2.305 477 D HA 0.052 4.689 4.640 -0.005 0.000 0.206 477 D C 0.250 176.547 176.300 -0.005 0.000 0.974 477 D CA 0.878 54.873 54.000 -0.007 0.000 0.871 477 D CB 0.413 41.259 40.800 0.076 0.000 0.947 477 D HN 0.430 nan 8.370 nan 0.000 0.516 478 S N -1.601 114.097 115.700 -0.004 0.000 2.611 478 S HA 0.577 5.044 4.470 -0.005 0.000 0.268 478 S C 0.467 174.997 174.600 -0.115 0.000 1.156 478 S CA -0.336 57.816 58.200 -0.080 0.000 0.817 478 S CB 1.600 64.746 63.200 -0.091 0.000 1.122 478 S HN -0.080 nan 8.310 nan 0.000 0.466 479 A N 0.273 122.994 122.820 -0.166 0.000 2.119 479 A HA 0.119 4.436 4.320 -0.005 0.000 0.217 479 A C 1.534 179.052 177.584 -0.110 0.000 1.153 479 A CA 0.659 52.562 52.037 -0.224 0.000 0.692 479 A CB -0.889 18.070 19.000 -0.068 0.000 0.799 479 A HN 0.872 nan 8.150 nan 0.000 0.458 480 W N 0.625 121.788 121.300 -0.229 0.000 2.381 480 W HA -0.154 4.503 4.660 -0.006 0.000 0.301 480 W C 1.971 178.448 176.519 -0.070 0.000 1.205 480 W CA 1.693 58.963 57.345 -0.126 0.000 1.285 480 W CB 0.031 29.405 29.460 -0.143 0.000 1.133 480 W HN 0.614 nan 8.180 nan 0.000 0.521 481 E N 0.497 120.751 120.200 0.090 0.000 2.047 481 E HA -0.235 4.111 4.350 -0.005 0.000 0.191 481 E C 2.379 178.940 176.600 -0.065 0.000 0.987 481 E CA 1.502 57.964 56.400 0.102 0.000 0.799 481 E CB -0.590 29.238 29.700 0.213 0.000 0.752 481 E HN 0.227 nan 8.360 nan 0.000 0.449 482 L N 0.544 121.554 121.223 -0.354 0.000 2.013 482 L HA -0.256 4.081 4.340 -0.005 0.000 0.212 482 L C 2.901 179.316 176.870 -0.757 0.000 1.073 482 L CA 1.688 56.082 54.840 -0.743 0.000 0.753 482 L CB -0.474 40.797 42.059 -1.312 0.000 0.890 482 L HN 0.365 nan 8.230 nan 0.000 0.432 483 M N -0.963 118.301 119.600 -0.559 0.000 2.080 483 M HA -0.289 4.188 4.480 -0.005 0.000 0.260 483 M C 2.346 178.452 176.300 -0.324 0.000 1.068 483 M CA 2.045 57.157 55.300 -0.313 0.000 1.109 483 M CB -0.208 32.258 32.600 -0.223 0.000 1.342 483 M HN 0.208 nan 8.290 nan 0.000 0.405 484 F N 1.020 120.727 119.950 -0.405 0.000 2.075 484 F HA -0.230 4.294 4.527 -0.006 0.000 0.297 484 F C 2.292 177.886 175.800 -0.344 0.000 1.113 484 F CA 2.364 60.173 58.000 -0.318 0.000 1.218 484 F CB -0.753 38.091 39.000 -0.261 0.000 0.984 484 F HN 0.280 nan 8.300 nan 0.000 0.472 485 E N -0.124 119.760 120.200 -0.527 0.000 2.110 485 E HA -0.300 4.046 4.350 -0.005 0.000 0.193 485 E C 2.048 178.123 176.600 -0.875 0.000 0.988 485 E CA 1.303 57.347 56.400 -0.593 0.000 0.804 485 E CB -0.387 29.302 29.700 -0.017 0.000 0.745 485 E HN 0.497 nan 8.360 nan 0.000 0.458 486 N N 0.241 118.167 118.700 -1.291 0.000 2.149 486 N HA -0.178 4.559 4.740 -0.005 0.000 0.188 486 N C 1.546 176.716 175.510 -0.565 0.000 1.019 486 N CA 1.763 53.987 53.050 -1.377 0.000 0.857 486 N CB -0.187 37.612 38.487 -1.146 0.000 0.997 486 N HN 0.213 nan 8.380 nan 0.000 0.426 487 A N 1.034 123.549 122.820 -0.509 0.000 1.855 487 A HA -0.030 4.287 4.320 -0.005 0.000 0.215 487 A C 2.273 179.592 177.584 -0.441 0.000 1.191 487 A CA 1.467 53.288 52.037 -0.360 0.000 0.613 487 A CB -1.053 17.763 19.000 -0.306 0.000 0.829 487 A HN 0.564 nan 8.150 nan 0.000 0.442 488 I N -0.838 119.319 120.570 -0.688 0.000 2.756 488 I HA -0.133 4.033 4.170 -0.005 0.000 0.262 488 I C 2.142 177.706 176.117 -0.921 0.000 1.225 488 I CA 1.659 62.439 61.300 -0.867 0.000 1.472 488 I CB -0.520 36.688 38.000 -1.320 0.000 1.094 488 I HN 0.318 nan 8.210 nan 0.000 0.454 489 S N 1.926 117.302 115.700 -0.540 0.000 2.400 489 S HA -0.128 4.339 4.470 -0.005 0.000 0.232 489 S C 2.053 176.539 174.600 -0.189 0.000 1.025 489 S CA 0.633 58.718 58.200 -0.191 0.000 0.993 489 S CB -0.435 62.810 63.200 0.075 0.000 0.808 489 S HN 0.495 nan 8.310 nan 0.000 0.478 490 R N 1.054 121.396 120.500 -0.264 0.000 2.148 490 R HA 0.294 4.630 4.340 -0.005 0.000 0.223 490 R C 2.159 178.340 176.300 -0.198 0.000 1.088 490 R CA 0.763 56.734 56.100 -0.214 0.000 0.985 490 R CB -1.015 29.171 30.300 -0.190 0.000 0.880 490 R HN 0.527 nan 8.270 nan 0.000 0.451 491 I N 0.113 120.509 120.570 -0.289 0.000 2.286 491 I HA -0.195 3.972 4.170 -0.005 0.000 0.245 491 I C 1.602 177.684 176.117 -0.058 0.000 1.104 491 I CA 0.990 62.158 61.300 -0.219 0.000 1.397 491 I CB -0.248 37.579 38.000 -0.289 0.000 1.072 491 I HN -0.076 nan 8.210 nan 0.000 0.417 492 F N 0.714 120.634 119.950 -0.049 0.000 2.234 492 F HA -0.117 4.407 4.527 -0.005 0.000 0.299 492 F C 2.229 177.989 175.800 -0.066 0.000 1.087 492 F CA 1.029 59.004 58.000 -0.041 0.000 1.340 492 F CB -0.996 37.961 39.000 -0.071 0.000 1.031 492 F HN -0.006 nan 8.300 nan 0.000 0.500 493 L N -0.863 120.399 121.223 0.065 0.000 2.395 493 L HA 0.120 4.457 4.340 -0.005 0.000 0.218 493 L C 1.811 178.628 176.870 -0.087 0.000 1.130 493 L CA 0.882 55.695 54.840 -0.045 0.000 0.826 493 L CB -0.893 41.099 42.059 -0.112 0.000 0.941 493 L HN 0.397 nan 8.230 nan 0.000 0.451 494 G N 0.157 108.929 108.800 -0.047 0.000 2.136 494 G HA2 -0.267 3.690 3.960 -0.005 0.000 0.242 494 G HA3 -0.267 3.690 3.960 -0.005 0.000 0.242 494 G C 0.734 175.558 174.900 -0.127 0.000 0.989 494 G CA 0.454 45.534 45.100 -0.034 0.000 0.682 494 G HN 0.315 nan 8.290 nan 0.000 0.522 495 V N -3.891 115.927 119.914 -0.161 0.000 3.644 495 V HA 0.799 4.916 4.120 -0.005 0.000 0.267 495 V C 0.999 176.981 176.094 -0.186 0.000 1.277 495 V CA 1.153 63.347 62.300 -0.176 0.000 1.096 495 V CB 0.437 32.164 31.823 -0.161 0.000 0.828 495 V HN 1.789 nan 8.190 nan 0.000 0.446 496 A N -0.625 122.074 122.820 -0.202 0.000 2.386 496 A HA 0.730 5.047 4.320 -0.005 0.000 0.311 496 A C -1.098 176.333 177.584 -0.254 0.000 1.068 496 A CA -0.784 51.151 52.037 -0.170 0.000 0.743 496 A CB 0.817 19.755 19.000 -0.103 0.000 1.258 496 A HN 0.401 nan 8.150 nan 0.000 0.429 497 W N 1.451 122.622 121.300 -0.216 0.000 2.215 497 W HA 0.408 5.065 4.660 -0.006 0.000 0.342 497 W C 1.960 178.185 176.519 -0.490 0.000 1.237 497 W CA -0.295 56.761 57.345 -0.481 0.000 1.283 497 W CB 0.779 29.590 29.460 -1.082 0.000 1.131 497 W HN 0.896 nan 8.180 nan 0.000 0.606 498 R N 0.636 121.031 120.500 -0.175 0.000 2.105 498 R HA -0.220 4.117 4.340 -0.005 0.000 0.239 498 R C 1.403 177.700 176.300 -0.005 0.000 1.135 498 R CA 1.926 57.985 56.100 -0.069 0.000 0.967 498 R CB -1.174 29.126 30.300 -0.001 0.000 0.861 498 R HN 0.617 nan 8.270 nan 0.000 0.442 499 F N 0.542 120.592 119.950 0.168 0.000 2.802 499 F HA 0.246 4.770 4.527 -0.006 0.000 0.300 499 F C 0.795 176.739 175.800 0.240 0.000 1.168 499 F CA -0.176 57.909 58.000 0.141 0.000 1.433 499 F CB -0.198 38.823 39.000 0.034 0.000 1.115 499 F HN -0.169 nan 8.300 nan 0.000 0.582 500 D N 1.134 121.650 120.400 0.193 0.000 2.289 500 D HA 0.050 4.687 4.640 -0.005 0.000 0.207 500 D C 2.232 178.548 176.300 0.027 0.000 0.966 500 D CA 1.196 55.310 54.000 0.191 0.000 0.868 500 D CB -0.024 40.864 40.800 0.148 0.000 0.943 500 D HN 0.406 nan 8.370 nan 0.000 0.514 501 A N 0.229 123.060 122.820 0.018 0.000 1.862 501 A HA 0.561 4.877 4.320 -0.005 0.000 0.211 501 A C 1.081 178.658 177.584 -0.011 0.000 1.220 501 A CA 1.281 53.295 52.037 -0.038 0.000 0.616 501 A CB 0.108 19.070 19.000 -0.062 0.000 0.878 501 A HN 0.231 nan 8.150 nan 0.000 0.453 502 A N -2.685 120.188 122.820 0.087 0.000 2.536 502 A HA 0.648 4.965 4.320 -0.005 0.000 0.293 502 A C -0.254 177.442 177.584 0.187 0.000 1.119 502 A CA -0.151 51.973 52.037 0.145 0.000 0.654 502 A CB -0.318 18.845 19.000 0.271 0.000 1.291 502 A HN 1.659 nan 8.150 nan 0.000 0.439 503 A N 0.071 123.004 122.820 0.188 0.000 2.524 503 A HA 0.504 4.821 4.320 -0.005 0.000 0.250 503 A C 1.452 179.093 177.584 0.094 0.000 1.078 503 A CA 0.666 52.794 52.037 0.152 0.000 0.761 503 A CB -0.355 18.726 19.000 0.135 0.000 1.012 503 A HN 2.320 nan 8.150 nan 0.000 0.500 504 A N 2.628 125.478 122.820 0.051 0.000 1.986 504 A HA -0.194 4.123 4.320 -0.005 0.000 0.220 504 A C 2.152 179.537 177.584 -0.332 0.000 1.171 504 A CA 1.849 53.781 52.037 -0.176 0.000 0.640 504 A CB -0.378 18.492 19.000 -0.217 0.000 0.811 504 A HN 0.917 nan 8.150 nan 0.000 0.451 505 R N -0.642 119.833 120.500 -0.043 0.000 2.148 505 R HA -0.123 4.214 4.340 -0.005 0.000 0.227 505 R C 0.690 177.011 176.300 0.035 0.000 1.103 505 R CA 1.503 57.656 56.100 0.089 0.000 0.983 505 R CB -0.105 30.295 30.300 0.167 0.000 0.874 505 R HN 0.465 nan 8.270 nan 0.000 0.451 506 D N -0.323 120.087 120.400 0.015 0.000 2.305 506 D HA -0.035 4.602 4.640 -0.005 0.000 0.206 506 D C 1.619 177.884 176.300 -0.058 0.000 0.974 506 D CA 0.858 54.846 54.000 -0.019 0.000 0.871 506 D CB 0.296 41.096 40.800 0.001 0.000 0.947 506 D HN 0.488 nan 8.370 nan 0.000 0.516 507 I N -3.127 117.441 120.570 -0.005 0.000 4.139 507 I HA 0.205 4.372 4.170 -0.005 0.000 0.320 507 I C 0.449 176.612 176.117 0.075 0.000 1.290 507 I CA -0.100 61.255 61.300 0.092 0.000 1.253 507 I CB 0.347 38.535 38.000 0.314 0.000 1.122 507 I HN -0.265 nan 8.210 nan 0.000 0.421 508 L N 1.735 122.879 121.223 -0.131 0.000 2.332 508 L HA 0.498 4.835 4.340 -0.005 0.000 0.269 508 L C -0.232 176.632 176.870 -0.011 0.000 1.016 508 L CA -1.102 53.614 54.840 -0.207 0.000 0.809 508 L CB 1.992 43.717 42.059 -0.557 0.000 1.280 508 L HN -0.054 nan 8.230 nan 0.000 0.447 509 I N 3.355 123.973 120.570 0.079 0.000 2.337 509 I HA 0.219 4.386 4.170 -0.005 0.000 0.291 509 I C -1.942 174.357 176.117 0.303 0.000 1.046 509 I CA -1.950 59.441 61.300 0.153 0.000 1.324 509 I CB 0.690 38.743 38.000 0.089 0.000 1.409 509 I HN 0.247 nan 8.210 nan 0.000 0.494 510 P HA 0.224 nan 4.420 nan 0.000 0.276 510 P C -0.263 177.026 177.300 -0.018 0.000 1.252 510 P CA -0.033 63.125 63.100 0.097 0.000 0.802 510 P CB 1.293 33.043 31.700 0.083 0.000 1.035 511 T N -3.916 110.561 114.554 -0.129 0.000 2.807 511 T HA 0.331 4.678 4.350 -0.005 0.000 0.277 511 T C 1.382 176.030 174.700 -0.087 0.000 1.006 511 T CA -0.065 61.985 62.100 -0.083 0.000 1.006 511 T CB -0.027 68.790 68.868 -0.086 0.000 1.274 511 T HN 0.424 nan 8.240 nan 0.000 0.569 512 T N -1.046 113.473 114.554 -0.058 0.000 2.962 512 T HA 0.080 4.427 4.350 -0.005 0.000 0.270 512 T C 0.855 175.518 174.700 -0.062 0.000 1.088 512 T CA 0.702 62.773 62.100 -0.048 0.000 1.127 512 T CB -0.807 68.043 68.868 -0.030 0.000 0.883 512 T HN 0.690 nan 8.240 nan 0.000 0.493 513 T N 2.575 117.080 114.554 -0.083 0.000 2.771 513 T HA 0.335 4.682 4.350 -0.005 0.000 0.291 513 T C -0.140 174.478 174.700 -0.137 0.000 0.954 513 T CA -0.775 61.273 62.100 -0.086 0.000 1.045 513 T CB 1.664 70.489 68.868 -0.072 0.000 0.917 513 T HN 0.268 nan 8.240 nan 0.000 0.484 514 K N 2.427 122.764 120.400 -0.106 0.000 2.401 514 K HA 0.001 4.317 4.320 -0.005 0.000 0.278 514 K C 0.026 176.541 176.600 -0.142 0.000 1.018 514 K CA 0.052 56.267 56.287 -0.121 0.000 0.981 514 K CB 0.232 32.696 32.500 -0.060 0.000 0.933 514 K HN 0.646 nan 8.250 nan 0.000 0.477 515 D N 0.380 120.657 120.400 -0.205 0.000 3.028 515 D HA -0.154 4.483 4.640 -0.005 0.000 0.207 515 D C -0.764 175.423 176.300 -0.188 0.000 1.100 515 D CA 0.810 54.742 54.000 -0.112 0.000 0.995 515 D CB -1.049 39.763 40.800 0.020 0.000 1.108 515 D HN 0.202 nan 8.370 nan 0.000 0.421 516 V N 1.024 120.692 119.914 -0.411 0.000 2.448 516 V HA 0.478 4.595 4.120 -0.005 0.000 0.295 516 V C -0.090 175.686 176.094 -0.531 0.000 1.025 516 V CA -0.694 61.447 62.300 -0.265 0.000 0.859 516 V CB 1.491 33.237 31.823 -0.127 0.000 0.988 516 V HN -0.036 nan 8.190 nan 0.000 0.431 517 Y N 1.742 122.044 120.300 0.004 0.000 2.528 517 Y HA 0.735 5.282 4.550 -0.005 0.000 0.335 517 Y C 0.720 176.607 175.900 -0.021 0.000 1.093 517 Y CA -0.769 57.324 58.100 -0.013 0.000 1.134 517 Y CB 1.386 39.829 38.460 -0.029 0.000 1.253 517 Y HN 0.722 nan 8.280 nan 0.000 0.478 518 A N 1.275 124.172 122.820 0.128 0.000 2.483 518 A HA 0.505 4.822 4.320 -0.005 0.000 0.238 518 A C -0.363 177.246 177.584 0.042 0.000 1.070 518 A CA -0.125 51.949 52.037 0.062 0.000 0.770 518 A CB -0.363 18.671 19.000 0.058 0.000 1.008 518 A HN 0.810 nan 8.150 nan 0.000 0.497 519 V N 0.130 120.064 119.914 0.033 0.000 2.962 519 V HA 0.705 4.822 4.120 -0.005 0.000 0.313 519 V C -0.458 175.657 176.094 0.034 0.000 1.099 519 V CA -0.774 61.544 62.300 0.029 0.000 0.971 519 V CB 1.809 33.649 31.823 0.029 0.000 1.028 519 V HN 0.975 nan 8.190 nan 0.000 0.430 520 D N 1.800 122.225 120.400 0.042 0.000 2.440 520 D HA 0.208 4.845 4.640 -0.005 0.000 0.269 520 D C 0.738 177.059 176.300 0.035 0.000 1.249 520 D CA -0.188 53.838 54.000 0.044 0.000 1.055 520 D CB 0.081 40.915 40.800 0.056 0.000 1.104 520 D HN 0.495 nan 8.370 nan 0.000 0.561 521 N N -0.793 117.927 118.700 0.032 0.000 2.137 521 N HA -0.206 4.531 4.740 -0.005 0.000 0.190 521 N C 0.523 176.048 175.510 0.025 0.000 1.017 521 N CA 1.717 54.782 53.050 0.026 0.000 0.859 521 N CB -0.655 37.846 38.487 0.023 0.000 1.002 521 N HN 0.638 nan 8.380 nan 0.000 0.428 522 N N -1.441 117.277 118.700 0.031 0.000 2.251 522 N HA 0.256 4.993 4.740 -0.005 0.000 0.217 522 N C 0.850 176.380 175.510 0.034 0.000 1.124 522 N CA 0.299 53.367 53.050 0.030 0.000 0.843 522 N CB 0.543 39.048 38.487 0.030 0.000 1.024 522 N HN 0.157 nan 8.380 nan 0.000 0.501 523 G N -1.410 107.410 108.800 0.034 0.000 2.199 523 G HA2 -0.242 3.714 3.960 -0.005 0.000 0.254 523 G HA3 -0.242 3.714 3.960 -0.005 0.000 0.254 523 G C 0.297 175.225 174.900 0.046 0.000 0.982 523 G CA -0.032 45.089 45.100 0.036 0.000 0.632 523 G HN 0.817 nan 8.290 nan 0.000 0.529 524 A N 0.636 123.491 122.820 0.058 0.000 2.440 524 A HA 0.630 4.947 4.320 -0.005 0.000 0.251 524 A C 0.866 178.491 177.584 0.068 0.000 1.089 524 A CA 1.084 53.170 52.037 0.081 0.000 0.779 524 A CB 0.246 19.306 19.000 0.100 0.000 1.022 524 A HN 0.791 nan 8.150 nan 0.000 0.492 525 T N 1.964 116.550 114.554 0.053 0.000 2.928 525 T HA 0.328 4.675 4.350 -0.005 0.000 0.305 525 T C 0.229 174.858 174.700 -0.118 0.000 1.035 525 T CA 0.135 62.191 62.100 -0.073 0.000 1.145 525 T CB 0.228 68.980 68.868 -0.193 0.000 0.963 525 T HN 0.419 nan 8.240 nan 0.000 0.545 526 V N 4.942 124.775 119.914 -0.135 0.000 2.427 526 V HA 0.456 4.573 4.120 -0.005 0.000 0.286 526 V C -0.241 175.755 176.094 -0.163 0.000 1.034 526 V CA -0.709 61.573 62.300 -0.029 0.000 0.893 526 V CB 0.550 32.400 31.823 0.045 0.000 0.982 526 V HN 0.678 nan 8.190 nan 0.000 0.452 527 F N 1.698 121.747 119.950 0.166 0.000 2.440 527 F HA 0.486 5.010 4.527 -0.005 0.000 0.328 527 F C 0.817 176.676 175.800 0.097 0.000 1.070 527 F CA -0.618 57.488 58.000 0.175 0.000 1.011 527 F CB 0.932 40.141 39.000 0.349 0.000 1.226 527 F HN 0.415 nan 8.300 nan 0.000 0.491 528 Q N 0.945 120.866 119.800 0.201 0.000 2.417 528 Q HA 0.148 4.485 4.340 -0.005 0.000 0.241 528 Q C -0.529 175.455 176.000 -0.027 0.000 1.008 528 Q CA -0.642 55.188 55.803 0.045 0.000 0.901 528 Q CB 0.463 29.178 28.738 -0.038 0.000 1.259 528 Q HN 0.464 nan 8.270 nan 0.000 0.489 529 N N 0.516 119.199 118.700 -0.029 0.000 2.513 529 N HA -0.039 4.697 4.740 -0.005 0.000 0.268 529 N C 1.007 176.427 175.510 -0.151 0.000 1.180 529 N CA 0.045 53.070 53.050 -0.043 0.000 0.948 529 N CB 1.147 39.633 38.487 -0.000 0.000 1.083 529 N HN 0.350 nan 8.380 nan 0.000 0.455 530 V N 2.132 121.931 119.914 -0.193 0.000 2.317 530 V HA -0.241 3.875 4.120 -0.005 0.000 0.251 530 V C 2.048 178.157 176.094 0.025 0.000 1.065 530 V CA 1.633 63.797 62.300 -0.228 0.000 1.049 530 V CB -0.305 31.484 31.823 -0.056 0.000 0.651 530 V HN 0.617 nan 8.190 nan 0.000 0.450 531 E N -0.056 120.163 120.200 0.031 0.000 2.265 531 E HA -0.182 4.165 4.350 -0.005 0.000 0.196 531 E C 1.647 178.251 176.600 0.006 0.000 0.996 531 E CA 1.128 57.545 56.400 0.028 0.000 0.832 531 E CB -0.214 29.486 29.700 0.001 0.000 0.756 531 E HN 0.683 nan 8.360 nan 0.000 0.491 532 D N -0.185 120.209 120.400 -0.010 0.000 2.367 532 D HA 0.084 4.721 4.640 -0.005 0.000 0.207 532 D C 0.753 177.036 176.300 -0.029 0.000 1.034 532 D CA -0.044 53.944 54.000 -0.021 0.000 0.861 532 D CB 0.610 41.394 40.800 -0.026 0.000 0.943 532 D HN 0.161 nan 8.370 nan 0.000 0.515 533 I N 2.235 122.778 120.570 -0.044 0.000 2.598 533 I HA 0.016 4.183 4.170 -0.005 0.000 0.284 533 I C 0.355 176.442 176.117 -0.050 0.000 1.140 533 I CA 0.329 61.533 61.300 -0.160 0.000 1.420 533 I CB 0.370 38.111 38.000 -0.431 0.000 1.387 533 I HN -0.380 nan 8.210 nan 0.000 0.553 534 R N 6.137 126.527 120.500 -0.183 0.000 2.514 534 R HA 0.262 4.599 4.340 -0.005 0.000 0.296 534 R C -1.420 174.776 176.300 -0.173 0.000 1.012 534 R CA -0.907 55.159 56.100 -0.056 0.000 0.897 534 R CB 1.222 31.534 30.300 0.020 0.000 1.184 534 R HN 0.405 nan 8.270 nan 0.000 0.440 535 Y N 1.774 122.177 120.300 0.172 0.000 2.570 535 Y HA 0.046 4.593 4.550 -0.005 0.000 0.336 535 Y C 1.778 177.735 175.900 0.095 0.000 1.284 535 Y CA -0.071 58.088 58.100 0.098 0.000 1.761 535 Y CB 0.066 38.564 38.460 0.063 0.000 1.724 535 Y HN 0.564 nan 8.280 nan 0.000 0.455 536 T N -4.226 110.421 114.554 0.155 0.000 3.034 536 T HA 0.029 4.376 4.350 -0.005 0.000 0.248 536 T C 0.806 175.567 174.700 0.102 0.000 1.040 536 T CA -0.015 62.156 62.100 0.117 0.000 1.107 536 T CB -0.200 68.714 68.868 0.077 0.000 0.932 536 T HN 0.277 nan 8.240 nan 0.000 0.474 537 T N 3.550 118.166 114.554 0.103 0.000 2.829 537 T HA 0.296 4.643 4.350 -0.005 0.000 0.293 537 T C 0.046 174.805 174.700 0.099 0.000 0.970 537 T CA 0.121 62.276 62.100 0.091 0.000 1.168 537 T CB 0.315 69.239 68.868 0.093 0.000 0.911 537 T HN 0.332 nan 8.240 nan 0.000 0.535 538 R N 1.297 121.845 120.500 0.079 0.000 2.873 538 R HA 0.773 5.110 4.340 -0.005 0.000 0.264 538 R C 0.420 176.768 176.300 0.079 0.000 1.026 538 R CA -0.972 55.180 56.100 0.087 0.000 1.002 538 R CB 1.992 32.330 30.300 0.062 0.000 1.174 538 R HN 0.731 nan 8.270 nan 0.000 0.488 539 G N -0.429 108.438 108.800 0.111 0.000 2.949 539 G HA2 0.468 4.425 3.960 -0.005 0.000 0.285 539 G HA3 0.468 4.425 3.960 -0.005 0.000 0.285 539 G C -0.869 174.131 174.900 0.166 0.000 1.395 539 G CA -0.523 44.630 45.100 0.090 0.000 0.901 539 G HN 0.536 nan 8.290 nan 0.000 0.519 540 T N -1.980 112.644 114.554 0.116 0.000 2.944 540 T HA 0.755 5.102 4.350 -0.005 0.000 0.284 540 T C -0.194 174.572 174.700 0.110 0.000 1.010 540 T CA -0.709 61.493 62.100 0.170 0.000 1.025 540 T CB 1.950 70.864 68.868 0.077 0.000 1.079 540 T HN 0.482 nan 8.240 nan 0.000 0.516 541 R N 0.273 120.827 120.500 0.091 0.000 2.621 541 R HA 0.301 4.638 4.340 -0.005 0.000 0.292 541 R C 1.061 177.335 176.300 -0.045 0.000 0.969 541 R CA -0.688 55.359 56.100 -0.089 0.000 0.887 541 R CB 2.012 32.037 30.300 -0.460 0.000 1.180 541 R HN 0.989 nan 8.270 nan 0.000 0.450 542 E N 1.604 121.777 120.200 -0.045 0.000 2.077 542 E HA -0.216 4.131 4.350 -0.005 0.000 0.193 542 E C 0.710 177.282 176.600 -0.047 0.000 0.989 542 E CA 1.895 58.273 56.400 -0.035 0.000 0.800 542 E CB 0.270 29.954 29.700 -0.027 0.000 0.746 542 E HN 0.621 nan 8.360 nan 0.000 0.452 543 D N -0.241 120.110 120.400 -0.082 0.000 2.355 543 D HA -0.025 4.612 4.640 -0.005 0.000 0.218 543 D C -0.097 176.128 176.300 -0.126 0.000 1.004 543 D CA 0.416 54.356 54.000 -0.101 0.000 0.880 543 D CB 0.044 40.773 40.800 -0.119 0.000 0.911 543 D HN 0.186 nan 8.370 nan 0.000 0.528 544 E N 0.057 120.187 120.200 -0.118 0.000 2.356 544 E HA 0.235 4.582 4.350 -0.005 0.000 0.275 544 E C -0.733 175.951 176.600 0.140 0.000 0.904 544 E CA -0.823 55.554 56.400 -0.037 0.000 0.757 544 E CB 2.015 31.629 29.700 -0.144 0.000 1.232 544 E HN -0.034 nan 8.360 nan 0.000 0.442 545 E N 0.749 121.023 120.200 0.124 0.000 2.343 545 E HA 0.527 4.874 4.350 -0.005 0.000 0.269 545 E C 0.379 177.035 176.600 0.093 0.000 1.047 545 E CA 0.129 56.589 56.400 0.100 0.000 0.874 545 E CB 1.535 31.253 29.700 0.031 0.000 1.033 545 E HN 0.786 nan 8.360 nan 0.000 0.409 546 G N 0.900 109.710 108.800 0.017 0.000 2.434 546 G HA2 -0.123 3.833 3.960 -0.005 0.000 0.671 546 G HA3 -0.123 3.833 3.960 -0.005 0.000 0.671 546 G C -1.214 173.543 174.900 -0.238 0.000 1.280 546 G CA -0.935 44.058 45.100 -0.179 0.000 0.975 546 G HN 0.337 nan 8.290 nan 0.000 0.510 547 L N -0.217 120.768 121.223 -0.397 0.000 2.317 547 L HA 0.792 5.129 4.340 -0.005 0.000 0.281 547 L C -0.439 176.142 176.870 -0.482 0.000 1.024 547 L CA -0.740 53.957 54.840 -0.238 0.000 0.810 547 L CB 1.435 43.435 42.059 -0.098 0.000 1.240 547 L HN 0.455 nan 8.230 nan 0.000 0.427 548 F N 2.338 122.321 119.950 0.056 0.000 2.579 548 F HA 0.583 5.107 4.527 -0.006 0.000 0.324 548 F C -2.076 173.777 175.800 0.088 0.000 1.058 548 F CA -2.470 55.583 58.000 0.089 0.000 0.944 548 F CB 1.195 40.272 39.000 0.128 0.000 1.245 548 F HN 0.255 nan 8.300 nan 0.000 0.477 549 P HA 0.208 nan 4.420 nan 0.000 0.272 549 P C -0.723 176.687 177.300 0.183 0.000 1.223 549 P CA 0.189 63.397 63.100 0.180 0.000 0.784 549 P CB 1.163 32.943 31.700 0.134 0.000 0.923 550 I N 0.955 121.615 120.570 0.149 0.000 2.389 550 I HA 0.548 4.715 4.170 -0.005 0.000 0.288 550 I C 0.789 176.983 176.117 0.128 0.000 0.999 550 I CA -0.081 61.325 61.300 0.178 0.000 1.129 550 I CB 1.063 39.160 38.000 0.162 0.000 1.288 550 I HN 0.662 nan 8.210 nan 0.000 0.444 551 G N 3.860 112.693 108.800 0.055 0.000 2.707 551 G HA2 -0.109 3.848 3.960 -0.005 0.000 0.686 551 G HA3 -0.109 3.848 3.960 -0.005 0.000 0.686 551 G C 0.551 175.342 174.900 -0.182 0.000 1.315 551 G CA -0.358 44.694 45.100 -0.079 0.000 0.832 551 G HN 0.902 nan 8.290 nan 0.000 0.573 552 G N -1.037 107.644 108.800 -0.197 0.000 2.404 552 G HA2 0.123 4.080 3.960 -0.005 0.000 0.215 552 G HA3 0.123 4.080 3.960 -0.005 0.000 0.215 552 G C 1.969 176.737 174.900 -0.220 0.000 1.174 552 G CA 2.394 47.374 45.100 -0.201 0.000 0.780 552 G HN 1.441 nan 8.290 nan 0.000 0.537 553 V N 2.121 121.869 119.914 -0.276 0.000 2.255 553 V HA -0.140 3.977 4.120 -0.005 0.000 0.247 553 V C 0.394 176.229 176.094 -0.431 0.000 1.051 553 V CA 2.378 64.418 62.300 -0.432 0.000 1.018 553 V CB -1.258 30.138 31.823 -0.712 0.000 0.641 553 V HN 0.294 nan 8.190 nan 0.000 0.445 554 P HA -0.141 nan 4.420 nan 0.000 0.216 554 P C 1.899 179.133 177.300 -0.109 0.000 1.150 554 P CA 1.115 64.099 63.100 -0.193 0.000 0.837 554 P CB -0.061 31.607 31.700 -0.053 0.000 0.786 555 L N -0.244 120.911 121.223 -0.114 0.000 2.017 555 L HA -0.026 4.311 4.340 -0.005 0.000 0.208 555 L C 2.261 179.042 176.870 -0.148 0.000 1.073 555 L CA 2.403 57.184 54.840 -0.097 0.000 0.745 555 L CB -1.636 40.364 42.059 -0.099 0.000 0.894 555 L HN -0.051 nan 8.230 nan 0.000 0.432 556 G N -0.249 108.451 108.800 -0.167 0.000 2.421 556 G HA2 -0.251 3.706 3.960 -0.005 0.000 0.216 556 G HA3 -0.251 3.706 3.960 -0.005 0.000 0.216 556 G C 1.654 176.472 174.900 -0.136 0.000 1.171 556 G CA 1.151 46.152 45.100 -0.165 0.000 0.775 556 G HN 0.471 nan 8.290 nan 0.000 0.543 557 I N 0.483 120.978 120.570 -0.124 0.000 2.163 557 I HA -0.215 3.952 4.170 -0.005 0.000 0.243 557 I C 2.686 178.791 176.117 -0.019 0.000 1.085 557 I CA 1.720 62.991 61.300 -0.049 0.000 1.347 557 I CB -0.271 37.720 38.000 -0.015 0.000 1.044 557 I HN 0.322 nan 8.210 nan 0.000 0.408 558 E N 1.375 121.557 120.200 -0.030 0.000 2.085 558 E HA -0.243 4.104 4.350 -0.005 0.000 0.194 558 E C 2.300 178.864 176.600 -0.059 0.000 0.994 558 E CA 1.498 57.901 56.400 0.004 0.000 0.801 558 E CB -0.037 29.687 29.700 0.040 0.000 0.743 558 E HN 0.463 nan 8.360 nan 0.000 0.453 559 I N 0.705 121.141 120.570 -0.224 0.000 2.179 559 I HA -0.254 3.913 4.170 -0.005 0.000 0.242 559 I C 2.596 178.662 176.117 -0.085 0.000 1.088 559 I CA 0.990 62.102 61.300 -0.313 0.000 1.357 559 I CB -0.367 37.420 38.000 -0.354 0.000 1.051 559 I HN 0.195 nan 8.210 nan 0.000 0.409 560 A N 0.523 123.314 122.820 -0.047 0.000 1.877 560 A HA -0.248 4.069 4.320 -0.005 0.000 0.216 560 A C 1.983 179.622 177.584 0.091 0.000 1.186 560 A CA 2.098 54.145 52.037 0.016 0.000 0.620 560 A CB -0.643 18.347 19.000 -0.015 0.000 0.822 560 A HN 0.333 nan 8.150 nan 0.000 0.443 561 D N -0.675 119.772 120.400 0.080 0.000 2.104 561 D HA -0.180 4.457 4.640 -0.005 0.000 0.194 561 D C 1.910 178.313 176.300 0.172 0.000 0.994 561 D CA 1.583 55.662 54.000 0.132 0.000 0.830 561 D CB -0.379 40.484 40.800 0.105 0.000 0.959 561 D HN 0.739 nan 8.370 nan 0.000 0.452 562 E N 0.350 120.630 120.200 0.134 0.000 2.038 562 E HA -0.172 4.175 4.350 -0.005 0.000 0.195 562 E C 2.360 179.047 176.600 0.145 0.000 1.000 562 E CA 0.871 57.355 56.400 0.141 0.000 0.803 562 E CB -0.168 29.634 29.700 0.170 0.000 0.750 562 E HN 0.227 nan 8.360 nan 0.000 0.448 563 I N 0.248 120.905 120.570 0.144 0.000 2.163 563 I HA -0.266 3.901 4.170 -0.005 0.000 0.243 563 I C 2.390 178.597 176.117 0.151 0.000 1.085 563 I CA 1.236 62.624 61.300 0.148 0.000 1.347 563 I CB -0.391 37.693 38.000 0.141 0.000 1.044 563 I HN 0.205 nan 8.210 nan 0.000 0.408 564 F N 2.216 122.195 119.950 0.049 0.000 2.102 564 F HA -0.242 4.284 4.527 -0.002 0.000 0.298 564 F C 2.368 178.196 175.800 0.047 0.000 1.105 564 F CA 1.738 59.765 58.000 0.046 0.000 1.239 564 F CB -0.392 38.639 39.000 0.052 0.000 0.991 564 F HN 0.073 nan 8.300 nan 0.000 0.474 565 N N 0.527 119.348 118.700 0.202 0.000 2.272 565 N HA -0.184 4.553 4.740 -0.005 0.000 0.185 565 N C 0.984 176.497 175.510 0.005 0.000 1.014 565 N CA 1.193 54.304 53.050 0.102 0.000 0.870 565 N CB -0.630 37.937 38.487 0.134 0.000 0.975 565 N HN 0.466 nan 8.380 nan 0.000 0.433 566 N N 0.010 118.717 118.700 0.011 0.000 2.270 566 N HA 0.052 4.789 4.740 -0.005 0.000 0.198 566 N C 0.521 176.012 175.510 -0.032 0.000 1.117 566 N CA 0.347 53.398 53.050 0.002 0.000 0.845 566 N CB 0.615 39.125 38.487 0.039 0.000 0.980 566 N HN 0.186 nan 8.380 nan 0.000 0.486 567 G N 1.793 110.523 108.800 -0.118 0.000 2.249 567 G HA2 -0.285 3.672 3.960 -0.005 0.000 0.273 567 G HA3 -0.285 3.672 3.960 -0.005 0.000 0.273 567 G C 0.198 175.063 174.900 -0.059 0.000 1.036 567 G CA 0.459 45.468 45.100 -0.152 0.000 0.824 567 G HN 0.423 nan 8.290 nan 0.000 0.504 568 L N -2.037 119.187 121.223 0.001 0.000 3.523 568 L HA -0.119 4.218 4.340 -0.005 0.000 0.668 568 L C 0.356 177.350 176.870 0.208 0.000 1.211 568 L CA 1.764 56.678 54.840 0.124 0.000 1.096 568 L CB -0.991 41.093 42.059 0.043 0.000 1.617 568 L HN 0.812 nan 8.230 nan 0.000 0.873 569 K N 3.725 124.203 120.400 0.130 0.000 2.259 569 K HA 0.740 5.057 4.320 -0.005 0.000 0.252 569 K C -2.505 174.042 176.600 -0.088 0.000 0.936 569 K CA -2.129 54.131 56.287 -0.044 0.000 0.810 569 K CB 1.864 34.345 32.500 -0.032 0.000 1.143 569 K HN 0.100 nan 8.250 nan 0.000 0.427 570 P HA -0.022 nan 4.420 nan 0.000 0.268 570 P C -0.905 176.395 177.300 -0.000 0.000 1.208 570 P CA 0.029 62.948 63.100 -0.301 0.000 0.777 570 P CB 0.433 31.869 31.700 -0.439 0.000 0.875 571 T N 5.144 119.788 114.554 0.150 0.000 2.853 571 T HA 0.153 4.499 4.350 -0.005 0.000 0.298 571 T C -2.024 172.710 174.700 0.057 0.000 0.978 571 T CA -0.793 61.389 62.100 0.136 0.000 1.152 571 T CB -0.455 68.533 68.868 0.199 0.000 0.914 571 T HN 0.349 nan 8.240 nan 0.000 0.539 572 P HA 0.077 nan 4.420 nan 0.000 0.262 572 P C -1.848 175.436 177.300 -0.026 0.000 1.199 572 P CA -1.402 61.667 63.100 -0.052 0.000 0.763 572 P CB 0.428 32.106 31.700 -0.036 0.000 0.790 573 P HA -0.197 nan 4.420 nan 0.000 0.219 573 P C 0.908 178.210 177.300 0.004 0.000 1.144 573 P CA 1.561 64.657 63.100 -0.007 0.000 0.806 573 P CB 0.127 31.784 31.700 -0.072 0.000 0.771 574 E N 0.432 120.622 120.200 -0.018 0.000 2.204 574 E HA -0.108 4.239 4.350 -0.005 0.000 0.194 574 E C 1.991 178.603 176.600 0.019 0.000 0.989 574 E CA 0.942 57.340 56.400 -0.003 0.000 0.824 574 E CB -0.868 28.824 29.700 -0.013 0.000 0.756 574 E HN 0.487 nan 8.360 nan 0.000 0.477 575 I N -1.826 118.762 120.570 0.031 0.000 3.875 575 I HA 0.120 4.286 4.170 -0.005 0.000 0.329 575 I C 0.106 176.263 176.117 0.067 0.000 1.295 575 I CA -0.399 60.933 61.300 0.053 0.000 1.129 575 I CB 0.208 38.246 38.000 0.063 0.000 1.008 575 I HN -0.177 nan 8.210 nan 0.000 0.413 576 Q N 2.595 122.430 119.800 0.059 0.000 2.354 576 Q HA 0.414 4.751 4.340 -0.005 0.000 0.244 576 Q C -1.900 174.121 176.000 0.036 0.000 0.969 576 Q CA -1.291 54.546 55.803 0.056 0.000 0.885 576 Q CB 0.366 29.142 28.738 0.063 0.000 1.241 576 Q HN 0.203 nan 8.270 nan 0.000 0.461 577 P HA 0.000 nan 4.420 nan 0.000 0.216 577 P CA 0.000 63.103 63.100 0.005 0.000 0.800 577 P CB 0.000 31.685 31.700 -0.025 0.000 0.726