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 3dlk_1_B DATA FIRST_RESID 6 DATA SEQUENCE ETVPVKLKPG MDGPKVKQWP LTEEKIKALV EICTEMEKEG KISKIGPENP DATA SEQUENCE YNTPVFAIKK KDSTKWRKLV DFRELNKRTQ DFWEXXLGIP HPAGLKKKKS DATA SEQUENCE VTVLDVGDAY FSVPLDEDFR KYTAFTIPSI NNETPGIRYQ YNVLPQGWKG DATA SEQUENCE SPAIFQSSMT KILEPFKKQN PDIVIYQYMD DLYVGSDLEI GQHRTKIEEL DATA SEQUENCE RQHLLRWGXX XXXXXXXXXX PFLWMGYELH PDKWTVQPIV LPEKDSWTVN DATA SEQUENCE DIQKLVGKLN WASQIYPGIK VRQLSKLLRG TKALTEVIPL TEEAELELAE DATA SEQUENCE NREILKEPVH GVYYDPSKDL IAEIQKQGQG QWTYQIYQEP FKNLKTGKYA DATA SEQUENCE RMRGAHTNDV KQLTEAVQKI TTESIVIWGK TPKFKLPIQK ETWETWWTEY DATA SEQUENCE WQATWIPEWE FVNTPPLVKL WYQ 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 6 E HA 0.000 nan 4.350 nan 0.000 0.291 6 E C 0.000 176.651 176.600 0.085 0.000 1.382 6 E CA 0.000 56.444 56.400 0.073 0.000 0.976 6 E CB 0.000 29.737 29.700 0.062 0.000 0.812 7 T N -0.351 114.251 114.554 0.079 0.000 2.942 7 T HA 0.524 4.876 4.350 0.003 0.000 0.327 7 T C -0.972 173.776 174.700 0.080 0.000 1.360 7 T CA -0.297 61.856 62.100 0.090 0.000 1.055 7 T CB 1.750 70.675 68.868 0.095 0.000 1.261 7 T HN 0.411 nan 8.240 nan 0.000 0.485 8 V N 1.437 121.405 119.914 0.091 0.000 2.394 8 V HA 0.686 4.808 4.120 0.003 0.000 0.282 8 V C -2.735 173.406 176.094 0.079 0.000 1.031 8 V CA -2.137 60.212 62.300 0.082 0.000 0.881 8 V CB 0.484 32.364 31.823 0.094 0.000 0.982 8 V HN 0.851 nan 8.190 nan 0.000 0.451 9 P HA 0.183 nan 4.420 nan 0.000 0.261 9 P C -0.900 176.383 177.300 -0.029 0.000 1.173 9 P CA 0.423 63.536 63.100 0.022 0.000 0.760 9 P CB 0.536 32.241 31.700 0.008 0.000 0.783 10 V N 3.760 123.645 119.914 -0.049 0.000 2.971 10 V HA 0.611 4.733 4.120 0.003 0.000 0.309 10 V C -0.178 175.857 176.094 -0.097 0.000 1.130 10 V CA -0.624 61.558 62.300 -0.196 0.000 0.964 10 V CB 2.666 34.301 31.823 -0.313 0.000 1.029 10 V HN 0.400 nan 8.190 nan 0.000 0.427 11 K N 1.864 122.181 120.400 -0.137 0.000 2.533 11 K HA 0.664 4.985 4.320 0.003 0.000 0.272 11 K C -1.260 175.361 176.600 0.034 0.000 0.985 11 K CA -0.706 55.614 56.287 0.056 0.000 0.876 11 K CB 2.519 35.024 32.500 0.009 0.000 1.452 11 K HN 0.555 nan 8.250 nan 0.000 0.439 12 L N 1.620 122.874 121.223 0.052 0.000 2.456 12 L HA 0.364 4.706 4.340 0.003 0.000 0.257 12 L C 0.780 177.614 176.870 -0.060 0.000 1.162 12 L CA -0.563 54.257 54.840 -0.033 0.000 0.808 12 L CB 0.296 42.236 42.059 -0.199 0.000 1.136 12 L HN 0.344 nan 8.230 nan 0.000 0.466 13 K N 1.101 121.464 120.400 -0.061 0.000 2.414 13 K HA 0.145 4.466 4.320 0.003 0.000 0.272 13 K C -2.262 174.315 176.600 -0.039 0.000 0.993 13 K CA -1.428 54.826 56.287 -0.055 0.000 0.964 13 K CB -0.098 32.377 32.500 -0.041 0.000 0.925 13 K HN 0.266 nan 8.250 nan 0.000 0.487 14 P HA -0.110 nan 4.420 nan 0.000 0.260 14 P C 0.421 177.717 177.300 -0.006 0.000 1.172 14 P CA 1.060 64.153 63.100 -0.011 0.000 0.760 14 P CB 0.340 32.038 31.700 -0.004 0.000 0.773 15 G N 2.121 110.921 108.800 -0.001 0.000 2.148 15 G HA2 -0.272 3.690 3.960 0.003 0.000 0.254 15 G HA3 -0.272 3.690 3.960 0.003 0.000 0.254 15 G C -0.007 174.894 174.900 0.001 0.000 0.981 15 G CA -0.149 44.955 45.100 0.006 0.000 0.670 15 G HN 0.474 nan 8.290 nan 0.000 0.528 16 M N 0.268 119.858 119.600 -0.018 0.000 2.383 16 M HA 0.475 4.957 4.480 0.003 0.000 0.325 16 M C -0.417 175.844 176.300 -0.066 0.000 1.092 16 M CA -0.842 54.440 55.300 -0.031 0.000 0.961 16 M CB 1.814 34.388 32.600 -0.043 0.000 1.672 16 M HN 0.114 nan 8.290 nan 0.000 0.438 17 D N 1.212 121.592 120.400 -0.034 0.000 2.437 17 D HA 0.545 5.187 4.640 0.003 0.000 0.259 17 D C 0.230 176.423 176.300 -0.178 0.000 1.118 17 D CA 0.052 54.033 54.000 -0.032 0.000 1.017 17 D CB 1.322 42.208 40.800 0.144 0.000 1.120 17 D HN 0.679 nan 8.370 nan 0.000 0.541 18 G N -0.128 108.457 108.800 -0.358 0.000 2.716 18 G HA2 0.296 4.257 3.960 0.003 0.000 0.251 18 G HA3 0.296 4.257 3.960 0.003 0.000 0.251 18 G C -2.195 172.669 174.900 -0.060 0.000 1.224 18 G CA -0.727 44.026 45.100 -0.578 0.000 0.891 18 G HN 0.458 nan 8.290 nan 0.000 0.561 19 P HA 0.275 nan 4.420 nan 0.000 0.278 19 P C -0.971 176.473 177.300 0.241 0.000 1.238 19 P CA -0.173 63.005 63.100 0.131 0.000 0.794 19 P CB 1.237 33.014 31.700 0.128 0.000 0.955 20 K N 1.526 122.036 120.400 0.183 0.000 3.146 20 K HA 0.311 4.633 4.320 0.003 0.000 0.168 20 K C -0.833 175.836 176.600 0.114 0.000 1.075 20 K CA -0.437 55.944 56.287 0.156 0.000 0.843 20 K CB 1.085 33.666 32.500 0.134 0.000 1.002 20 K HN 0.206 nan 8.250 nan 0.000 0.597 21 V N 1.558 121.540 119.914 0.115 0.000 2.439 21 V HA 0.237 4.359 4.120 0.003 0.000 0.282 21 V C 0.355 176.498 176.094 0.081 0.000 1.039 21 V CA -0.874 61.492 62.300 0.108 0.000 0.913 21 V CB 1.278 33.176 31.823 0.125 0.000 0.983 21 V HN 0.353 nan 8.190 nan 0.000 0.460 22 K N 2.586 123.041 120.400 0.090 0.000 2.326 22 K HA 0.254 4.575 4.320 0.003 0.000 0.275 22 K C -0.017 176.606 176.600 0.038 0.000 1.018 22 K CA -0.388 55.938 56.287 0.065 0.000 0.962 22 K CB 0.555 33.104 32.500 0.081 0.000 0.953 22 K HN 0.644 nan 8.250 nan 0.000 0.475 23 Q N 2.868 122.649 119.800 -0.031 0.000 2.304 23 Q HA 0.081 4.423 4.340 0.003 0.000 0.260 23 Q C -1.420 174.559 176.000 -0.035 0.000 0.965 23 Q CA -0.250 55.459 55.803 -0.157 0.000 0.898 23 Q CB 0.429 29.083 28.738 -0.140 0.000 1.196 23 Q HN 0.432 nan 8.270 nan 0.000 0.402 24 W N 4.152 125.442 121.300 -0.018 0.000 2.283 24 W HA 0.677 5.339 4.660 0.003 0.000 0.341 24 W C -2.325 174.147 176.519 -0.079 0.000 1.206 24 W CA -2.734 54.576 57.345 -0.058 0.000 1.294 24 W CB -0.630 28.773 29.460 -0.094 0.000 1.154 24 W HN 0.523 nan 8.180 nan 0.000 0.613 25 P HA 0.113 nan 4.420 nan 0.000 0.266 25 P C -0.784 176.580 177.300 0.107 0.000 1.195 25 P CA 0.255 63.406 63.100 0.085 0.000 0.768 25 P CB 1.132 32.845 31.700 0.020 0.000 0.838 26 L N 1.732 122.975 121.223 0.033 0.000 2.341 26 L HA 0.425 4.767 4.340 0.003 0.000 0.267 26 L C 1.197 178.049 176.870 -0.030 0.000 1.009 26 L CA -0.888 53.959 54.840 0.011 0.000 0.819 26 L CB 2.065 44.114 42.059 -0.016 0.000 1.323 26 L HN 0.380 nan 8.230 nan 0.000 0.425 27 T N -3.176 111.350 114.554 -0.046 0.000 2.813 27 T HA 0.040 4.392 4.350 0.003 0.000 0.297 27 T C 0.867 175.527 174.700 -0.068 0.000 1.036 27 T CA -0.397 61.675 62.100 -0.047 0.000 1.044 27 T CB 1.266 70.115 68.868 -0.032 0.000 0.993 27 T HN 0.780 nan 8.240 nan 0.000 0.535 28 E N 0.098 120.268 120.200 -0.050 0.000 2.153 28 E HA -0.222 4.130 4.350 0.003 0.000 0.194 28 E C 1.997 178.545 176.600 -0.088 0.000 0.988 28 E CA 1.357 57.724 56.400 -0.055 0.000 0.811 28 E CB -0.043 29.640 29.700 -0.029 0.000 0.746 28 E HN 0.893 nan 8.360 nan 0.000 0.466 29 E N 0.509 120.655 120.200 -0.090 0.000 2.077 29 E HA -0.225 4.127 4.350 0.003 0.000 0.193 29 E C 1.798 178.166 176.600 -0.386 0.000 0.989 29 E CA 1.237 57.556 56.400 -0.134 0.000 0.800 29 E CB 0.127 29.819 29.700 -0.014 0.000 0.746 29 E HN 0.151 nan 8.360 nan 0.000 0.452 30 K N 0.101 120.249 120.400 -0.419 0.000 2.103 30 K HA -0.031 4.291 4.320 0.003 0.000 0.204 30 K C 2.230 178.616 176.600 -0.356 0.000 1.052 30 K CA 0.986 56.927 56.287 -0.576 0.000 0.945 30 K CB -0.004 32.278 32.500 -0.364 0.000 0.722 30 K HN 0.230 nan 8.250 nan 0.000 0.443 31 I N 1.518 121.962 120.570 -0.210 0.000 2.226 31 I HA -0.284 3.887 4.170 0.003 0.000 0.245 31 I C 2.125 178.165 176.117 -0.129 0.000 1.100 31 I CA 1.361 62.583 61.300 -0.131 0.000 1.374 31 I CB -0.181 37.770 38.000 -0.082 0.000 1.057 31 I HN 0.122 nan 8.210 nan 0.000 0.413 32 K N 0.901 121.215 120.400 -0.143 0.000 2.063 32 K HA -0.163 4.159 4.320 0.003 0.000 0.208 32 K C 2.262 178.789 176.600 -0.123 0.000 1.048 32 K CA 1.577 57.801 56.287 -0.105 0.000 0.928 32 K CB -0.267 32.186 32.500 -0.078 0.000 0.713 32 K HN 0.314 nan 8.250 nan 0.000 0.442 33 A N 1.353 124.024 122.820 -0.249 0.000 1.898 33 A HA -0.115 4.206 4.320 0.003 0.000 0.216 33 A C 2.110 179.623 177.584 -0.117 0.000 1.181 33 A CA 1.174 53.076 52.037 -0.226 0.000 0.620 33 A CB -0.570 18.054 19.000 -0.628 0.000 0.819 33 A HN 0.153 nan 8.150 nan 0.000 0.442 34 L N -0.626 120.513 121.223 -0.141 0.000 2.093 34 L HA -0.147 4.195 4.340 0.003 0.000 0.208 34 L C 2.520 179.378 176.870 -0.020 0.000 1.085 34 L CA 0.910 55.711 54.840 -0.066 0.000 0.755 34 L CB -0.519 41.507 42.059 -0.056 0.000 0.904 34 L HN 0.246 nan 8.230 nan 0.000 0.435 35 V N -0.066 119.837 119.914 -0.018 0.000 2.295 35 V HA -0.277 3.845 4.120 0.003 0.000 0.246 35 V C 2.378 178.474 176.094 0.003 0.000 1.049 35 V CA 1.817 64.125 62.300 0.013 0.000 1.024 35 V CB -0.421 31.406 31.823 0.006 0.000 0.648 35 V HN 0.460 nan 8.190 nan 0.000 0.447 36 E N -0.102 120.094 120.200 -0.006 0.000 2.031 36 E HA -0.214 4.138 4.350 0.003 0.000 0.193 36 E C 2.188 178.787 176.600 -0.002 0.000 0.994 36 E CA 1.681 58.084 56.400 0.004 0.000 0.800 36 E CB -0.236 29.476 29.700 0.021 0.000 0.752 36 E HN 0.545 nan 8.360 nan 0.000 0.447 37 I N 0.717 121.288 120.570 0.001 0.000 2.226 37 I HA -0.318 3.854 4.170 0.003 0.000 0.245 37 I C 2.451 178.527 176.117 -0.068 0.000 1.100 37 I CA 0.771 62.069 61.300 -0.004 0.000 1.374 37 I CB -0.245 37.770 38.000 0.024 0.000 1.057 37 I HN 0.253 nan 8.210 nan 0.000 0.413 38 C N 0.099 119.337 119.300 -0.103 0.000 2.450 38 C HA -0.112 4.350 4.460 0.003 0.000 0.279 38 C C 2.993 177.844 174.990 -0.232 0.000 1.335 38 C CA 1.209 60.073 59.018 -0.256 0.000 1.749 38 C CB -1.053 26.491 27.740 -0.327 0.000 1.963 38 C HN 0.508 nan 8.230 nan 0.000 0.501 39 T N 0.584 115.087 114.554 -0.084 0.000 2.708 39 T HA -0.156 4.196 4.350 0.003 0.000 0.266 39 T C 1.819 176.486 174.700 -0.055 0.000 1.037 39 T CA 1.326 63.407 62.100 -0.032 0.000 1.146 39 T CB -0.235 68.634 68.868 0.001 0.000 0.865 39 T HN 0.529 nan 8.240 nan 0.000 0.435 40 E N 1.014 121.180 120.200 -0.057 0.000 2.031 40 E HA -0.045 4.307 4.350 0.003 0.000 0.193 40 E C 2.275 178.822 176.600 -0.089 0.000 0.994 40 E CA 1.075 57.443 56.400 -0.053 0.000 0.800 40 E CB -0.377 29.304 29.700 -0.032 0.000 0.752 40 E HN 0.538 nan 8.360 nan 0.000 0.447 41 M N 0.300 119.814 119.600 -0.143 0.000 2.149 41 M HA -0.183 4.299 4.480 0.003 0.000 0.261 41 M C 2.295 178.474 176.300 -0.201 0.000 1.064 41 M CA 1.361 56.533 55.300 -0.214 0.000 1.102 41 M CB -0.334 32.077 32.600 -0.316 0.000 1.369 41 M HN 0.087 nan 8.290 nan 0.000 0.408 42 E N 0.883 120.970 120.200 -0.188 0.000 2.072 42 E HA -0.191 4.160 4.350 0.003 0.000 0.191 42 E C 1.832 178.397 176.600 -0.059 0.000 0.985 42 E CA 1.177 57.511 56.400 -0.111 0.000 0.801 42 E CB 0.153 29.841 29.700 -0.021 0.000 0.750 42 E HN 0.463 nan 8.360 nan 0.000 0.452 43 K N 0.330 120.699 120.400 -0.052 0.000 2.097 43 K HA -0.129 4.192 4.320 0.003 0.000 0.206 43 K C 1.782 178.363 176.600 -0.032 0.000 1.049 43 K CA 1.333 57.602 56.287 -0.031 0.000 0.933 43 K CB -0.005 32.481 32.500 -0.024 0.000 0.717 43 K HN 0.166 nan 8.250 nan 0.000 0.442 44 E N -0.425 119.746 120.200 -0.049 0.000 2.511 44 E HA -0.007 4.345 4.350 0.003 0.000 0.196 44 E C 0.825 177.401 176.600 -0.040 0.000 1.066 44 E CA 0.302 56.678 56.400 -0.040 0.000 0.871 44 E CB 0.267 29.938 29.700 -0.049 0.000 0.863 44 E HN 0.509 nan 8.360 nan 0.000 0.520 45 G N 1.824 110.595 108.800 -0.050 0.000 2.184 45 G HA2 -0.388 3.574 3.960 0.003 0.000 0.264 45 G HA3 -0.388 3.574 3.960 0.003 0.000 0.264 45 G C 0.951 175.819 174.900 -0.055 0.000 0.975 45 G CA 0.804 45.882 45.100 -0.036 0.000 0.642 45 G HN 0.286 nan 8.290 nan 0.000 0.536 46 K N -0.125 120.203 120.400 -0.120 0.000 2.097 46 K HA 0.201 4.523 4.320 0.003 0.000 0.205 46 K C 1.527 178.014 176.600 -0.189 0.000 1.050 46 K CA 1.475 57.660 56.287 -0.171 0.000 0.938 46 K CB -0.002 32.259 32.500 -0.398 0.000 0.718 46 K HN 0.829 nan 8.250 nan 0.000 0.442 47 I N -3.678 116.749 120.570 -0.238 0.000 3.042 47 I HA 0.449 4.621 4.170 0.003 0.000 0.310 47 I C -1.026 175.043 176.117 -0.079 0.000 1.117 47 I CA -0.980 60.176 61.300 -0.240 0.000 1.003 47 I CB 2.607 40.338 38.000 -0.450 0.000 1.228 47 I HN -0.318 nan 8.210 nan 0.000 0.443 48 S N 1.548 117.258 115.700 0.016 0.000 2.546 48 S HA 0.438 4.910 4.470 0.003 0.000 0.274 48 S C -0.878 173.772 174.600 0.083 0.000 1.121 48 S CA -0.946 57.294 58.200 0.067 0.000 0.887 48 S CB 2.047 65.252 63.200 0.009 0.000 1.094 48 S HN 0.529 nan 8.310 nan 0.000 0.474 49 K N 1.931 122.329 120.400 -0.004 0.000 2.319 49 K HA 0.416 4.738 4.320 0.003 0.000 0.265 49 K C -0.045 176.447 176.600 -0.180 0.000 1.000 49 K CA 0.014 56.151 56.287 -0.250 0.000 0.943 49 K CB 0.250 32.563 32.500 -0.312 0.000 0.950 49 K HN 0.614 nan 8.250 nan 0.000 0.485 50 I N -2.444 117.990 120.570 -0.227 0.000 3.002 50 I HA 0.592 4.763 4.170 0.003 0.000 0.310 50 I C 0.174 176.195 176.117 -0.160 0.000 1.087 50 I CA -1.159 60.046 61.300 -0.159 0.000 1.017 50 I CB 1.982 39.899 38.000 -0.137 0.000 1.226 50 I HN 0.548 nan 8.210 nan 0.000 0.443 51 G N 1.221 109.947 108.800 -0.123 0.000 2.531 51 G HA2 0.531 4.493 3.960 0.003 0.000 0.313 51 G HA3 0.531 4.493 3.960 0.003 0.000 0.313 51 G C -1.747 173.086 174.900 -0.112 0.000 1.238 51 G CA -1.307 43.725 45.100 -0.113 0.000 0.994 51 G HN 0.615 nan 8.290 nan 0.000 0.493 52 P HA -0.062 nan 4.420 nan 0.000 0.230 52 P C 1.078 178.316 177.300 -0.104 0.000 1.158 52 P CA 0.819 63.859 63.100 -0.100 0.000 0.769 52 P CB 0.283 31.932 31.700 -0.085 0.000 0.807 53 E N -0.268 119.873 120.200 -0.099 0.000 2.511 53 E HA -0.070 4.281 4.350 0.003 0.000 0.196 53 E C 0.186 176.706 176.600 -0.133 0.000 1.066 53 E CA 0.173 56.512 56.400 -0.102 0.000 0.871 53 E CB -0.713 28.939 29.700 -0.079 0.000 0.863 53 E HN 0.137 nan 8.360 nan 0.000 0.520 54 N N 2.086 120.701 118.700 -0.142 0.000 2.469 54 N HA 0.130 4.872 4.740 0.003 0.000 0.253 54 N C -1.937 173.430 175.510 -0.239 0.000 0.970 54 N CA -1.908 51.038 53.050 -0.175 0.000 0.940 54 N CB 1.744 40.175 38.487 -0.094 0.000 1.128 54 N HN -0.105 nan 8.380 nan 0.000 0.503 55 P HA 0.107 nan 4.420 nan 0.000 0.261 55 P C -0.430 176.665 177.300 -0.342 0.000 1.268 55 P CA 0.035 62.905 63.100 -0.383 0.000 0.833 55 P CB 0.115 31.569 31.700 -0.410 0.000 1.231 56 Y N 0.928 121.234 120.300 0.010 0.000 2.300 56 Y HA 0.426 4.977 4.550 0.003 0.000 0.328 56 Y C 0.974 176.896 175.900 0.037 0.000 1.270 56 Y CA -0.323 57.803 58.100 0.044 0.000 1.352 56 Y CB 0.537 39.047 38.460 0.082 0.000 1.286 56 Y HN -0.091 nan 8.280 nan 0.000 0.536 57 N N -0.716 118.125 118.700 0.235 0.000 2.555 57 N HA 0.385 5.127 4.740 0.003 0.000 0.265 57 N C -1.925 173.668 175.510 0.137 0.000 1.135 57 N CA -0.461 52.678 53.050 0.150 0.000 0.925 57 N CB 1.864 40.397 38.487 0.077 0.000 1.662 57 N HN 0.536 nan 8.380 nan 0.000 0.489 58 T N 2.612 117.232 114.554 0.110 0.000 2.886 58 T HA 0.569 4.921 4.350 0.003 0.000 0.292 58 T C -2.801 171.850 174.700 -0.081 0.000 1.012 58 T CA -0.964 61.154 62.100 0.028 0.000 0.982 58 T CB 2.010 70.877 68.868 -0.002 0.000 1.018 58 T HN 0.298 nan 8.240 nan 0.000 0.451 59 P HA 0.366 nan 4.420 nan 0.000 0.271 59 P C -1.059 175.985 177.300 -0.426 0.000 1.218 59 P CA -0.438 62.380 63.100 -0.469 0.000 0.780 59 P CB 0.667 31.836 31.700 -0.885 0.000 0.901 60 V N 4.273 123.928 119.914 -0.431 0.000 2.925 60 V HA 0.835 4.957 4.120 0.003 0.000 0.311 60 V C -1.087 174.955 176.094 -0.086 0.000 1.104 60 V CA -0.606 61.548 62.300 -0.244 0.000 0.954 60 V CB 1.105 32.783 31.823 -0.242 0.000 1.022 60 V HN 0.611 nan 8.190 nan 0.000 0.427 61 F N 3.690 123.520 119.950 -0.200 0.000 3.016 61 F HA 1.020 5.549 4.527 0.003 0.000 0.324 61 F C -0.623 175.150 175.800 -0.046 0.000 1.196 61 F CA -0.614 57.331 58.000 -0.092 0.000 0.929 61 F CB 1.308 40.353 39.000 0.075 0.000 1.440 61 F HN 0.762 nan 8.300 nan 0.000 0.505 62 A N 0.892 123.723 122.820 0.017 0.000 2.475 62 A HA 0.873 5.195 4.320 0.003 0.000 0.301 62 A C -1.148 176.584 177.584 0.247 0.000 1.059 62 A CA -0.605 51.417 52.037 -0.024 0.000 0.710 62 A CB 1.577 20.535 19.000 -0.071 0.000 1.288 62 A HN 1.270 nan 8.150 nan 0.000 0.408 63 I N -2.081 118.644 120.570 0.259 0.000 3.264 63 I HA 0.751 4.923 4.170 0.003 0.000 0.315 63 I C -1.063 175.114 176.117 0.100 0.000 1.154 63 I CA -1.149 60.309 61.300 0.264 0.000 0.962 63 I CB 2.450 40.506 38.000 0.093 0.000 1.265 63 I HN 0.469 nan 8.210 nan 0.000 0.463 64 K N 2.462 122.797 120.400 -0.107 0.000 2.426 64 K HA 0.489 4.811 4.320 0.003 0.000 0.254 64 K C -1.086 175.376 176.600 -0.230 0.000 0.936 64 K CA -0.967 55.155 56.287 -0.274 0.000 0.801 64 K CB 2.474 34.695 32.500 -0.465 0.000 1.139 64 K HN 0.478 nan 8.250 nan 0.000 0.424 65 K N 1.947 122.185 120.400 -0.270 0.000 2.140 65 K HA 0.130 4.452 4.320 0.003 0.000 0.237 65 K C 1.151 177.625 176.600 -0.209 0.000 1.045 65 K CA -0.521 55.593 56.287 -0.289 0.000 0.896 65 K CB 0.456 32.730 32.500 -0.376 0.000 1.122 65 K HN 0.456 nan 8.250 nan 0.000 0.503 66 K N 1.422 121.682 120.400 -0.232 0.000 1.987 66 K HA -0.313 4.008 4.320 0.003 0.000 0.232 66 K C 1.497 178.038 176.600 -0.097 0.000 1.034 66 K CA 2.473 58.657 56.287 -0.172 0.000 1.013 66 K CB -0.810 31.579 32.500 -0.184 0.000 0.736 66 K HN 0.851 nan 8.250 nan 0.000 0.446 67 D N 0.913 121.274 120.400 -0.065 0.000 2.149 67 D HA -0.062 4.579 4.640 0.003 0.000 0.206 67 D C 0.270 176.613 176.300 0.072 0.000 0.967 67 D CA 0.185 54.201 54.000 0.027 0.000 0.848 67 D CB -0.020 40.847 40.800 0.112 0.000 0.998 67 D HN 0.037 nan 8.370 nan 0.000 0.474 68 S N -0.369 115.409 115.700 0.131 0.000 2.593 68 S HA -0.045 4.427 4.470 0.003 0.000 0.303 68 S C 0.480 175.105 174.600 0.041 0.000 1.267 68 S CA 0.532 58.859 58.200 0.211 0.000 1.047 68 S CB 0.634 64.056 63.200 0.370 0.000 0.777 68 S HN 0.354 nan 8.310 nan 0.000 0.498 69 T N 3.855 118.431 114.554 0.037 0.000 3.228 69 T HA 0.217 4.569 4.350 0.003 0.000 0.278 69 T C 0.084 174.733 174.700 -0.085 0.000 1.014 69 T CA -0.223 61.829 62.100 -0.079 0.000 0.904 69 T CB 0.025 68.869 68.868 -0.040 0.000 1.110 69 T HN 0.416 nan 8.240 nan 0.000 0.541 70 K N 1.098 121.510 120.400 0.022 0.000 2.358 70 K HA 0.340 4.662 4.320 0.003 0.000 0.260 70 K C -1.144 175.584 176.600 0.212 0.000 0.956 70 K CA -0.800 55.557 56.287 0.116 0.000 0.834 70 K CB 1.123 33.702 32.500 0.132 0.000 1.102 70 K HN 0.158 nan 8.250 nan 0.000 0.431 71 W N 3.361 124.777 121.300 0.194 0.000 2.181 71 W HA 0.141 4.803 4.660 0.003 0.000 0.335 71 W C 0.761 177.406 176.519 0.210 0.000 1.310 71 W CA -0.167 57.263 57.345 0.141 0.000 1.226 71 W CB 0.481 29.986 29.460 0.075 0.000 1.155 71 W HN 0.337 nan 8.180 nan 0.000 0.565 72 R N 3.380 124.071 120.500 0.318 0.000 2.534 72 R HA 0.296 4.638 4.340 0.003 0.000 0.301 72 R C -0.574 175.755 176.300 0.049 0.000 0.961 72 R CA -0.969 55.216 56.100 0.142 0.000 0.871 72 R CB 1.157 31.253 30.300 -0.339 0.000 1.170 72 R HN 0.491 nan 8.270 nan 0.000 0.446 73 K N 3.541 123.968 120.400 0.045 0.000 2.270 73 K HA 0.181 4.502 4.320 0.003 0.000 0.276 73 K C -1.244 175.257 176.600 -0.166 0.000 1.023 73 K CA -0.404 55.840 56.287 -0.071 0.000 0.955 73 K CB 0.663 33.140 32.500 -0.039 0.000 0.975 73 K HN 0.316 nan 8.250 nan 0.000 0.471 74 L N 5.292 126.305 121.223 -0.350 0.000 2.441 74 L HA 0.343 4.685 4.340 0.003 0.000 0.270 74 L C -1.581 175.053 176.870 -0.393 0.000 0.973 74 L CA -0.586 54.004 54.840 -0.416 0.000 0.842 74 L CB 1.786 43.402 42.059 -0.738 0.000 1.239 74 L HN 0.382 nan 8.230 nan 0.000 0.406 75 V N 3.661 123.413 119.914 -0.271 0.000 2.439 75 V HA 0.325 4.447 4.120 0.003 0.000 0.282 75 V C -0.269 175.680 176.094 -0.241 0.000 1.039 75 V CA -0.594 61.453 62.300 -0.422 0.000 0.913 75 V CB 1.562 32.870 31.823 -0.858 0.000 0.983 75 V HN 0.751 nan 8.190 nan 0.000 0.460 76 D N 3.711 124.046 120.400 -0.108 0.000 2.483 76 D HA 0.172 4.814 4.640 0.003 0.000 0.220 76 D C 0.317 176.644 176.300 0.044 0.000 1.173 76 D CA -0.115 53.968 54.000 0.140 0.000 0.964 76 D CB -0.090 40.917 40.800 0.346 0.000 1.046 76 D HN 0.458 nan 8.370 nan 0.000 0.517 77 F N 1.788 121.843 119.950 0.175 0.000 2.676 77 F HA 0.195 4.724 4.527 0.003 0.000 0.300 77 F C 2.104 178.004 175.800 0.167 0.000 1.160 77 F CA -0.444 57.657 58.000 0.169 0.000 1.401 77 F CB 0.260 39.385 39.000 0.208 0.000 1.037 77 F HN 0.185 nan 8.300 nan 0.000 0.522 78 R N 0.125 120.795 120.500 0.283 0.000 2.091 78 R HA -0.207 4.134 4.340 0.003 0.000 0.238 78 R C 1.971 178.370 176.300 0.165 0.000 1.136 78 R CA 1.539 57.748 56.100 0.182 0.000 0.959 78 R CB -0.180 30.164 30.300 0.073 0.000 0.856 78 R HN 0.185 nan 8.270 nan 0.000 0.437 79 E N 0.747 121.052 120.200 0.176 0.000 2.046 79 E HA -0.134 4.218 4.350 0.003 0.000 0.190 79 E C 1.724 178.421 176.600 0.163 0.000 0.982 79 E CA 0.703 57.189 56.400 0.143 0.000 0.800 79 E CB -0.170 29.611 29.700 0.135 0.000 0.756 79 E HN 0.096 nan 8.360 nan 0.000 0.449 80 L N 0.955 122.322 121.223 0.241 0.000 2.083 80 L HA -0.143 4.199 4.340 0.003 0.000 0.209 80 L C 1.526 178.562 176.870 0.277 0.000 1.083 80 L CA 1.721 56.702 54.840 0.235 0.000 0.752 80 L CB -0.704 41.535 42.059 0.300 0.000 0.899 80 L HN 0.095 nan 8.230 nan 0.000 0.433 81 N N 0.644 119.523 118.700 0.299 0.000 2.149 81 N HA -0.224 4.518 4.740 0.003 0.000 0.188 81 N C 1.676 177.267 175.510 0.135 0.000 1.019 81 N CA 1.832 55.019 53.050 0.228 0.000 0.857 81 N CB -0.288 38.306 38.487 0.179 0.000 0.997 81 N HN 0.648 nan 8.380 nan 0.000 0.426 82 K N 0.403 120.869 120.400 0.111 0.000 2.296 82 K HA 0.080 4.402 4.320 0.003 0.000 0.200 82 K C 1.602 178.232 176.600 0.051 0.000 1.048 82 K CA 0.773 57.099 56.287 0.065 0.000 0.966 82 K CB 0.053 32.583 32.500 0.051 0.000 0.754 82 K HN 0.012 nan 8.250 nan 0.000 0.466 83 R N 0.765 121.305 120.500 0.065 0.000 2.280 83 R HA 0.104 4.446 4.340 0.003 0.000 0.195 83 R C 0.007 176.329 176.300 0.038 0.000 0.935 83 R CA 0.282 56.396 56.100 0.024 0.000 1.033 83 R CB 0.339 30.628 30.300 -0.018 0.000 0.964 83 R HN 0.058 nan 8.270 nan 0.000 0.489 84 T N 2.880 117.509 114.554 0.125 0.000 2.814 84 T HA -0.001 4.351 4.350 0.003 0.000 0.297 84 T C -0.053 174.643 174.700 -0.007 0.000 0.956 84 T CA -0.230 61.975 62.100 0.175 0.000 1.123 84 T CB 1.005 70.126 68.868 0.422 0.000 0.902 84 T HN 0.256 nan 8.240 nan 0.000 0.528 85 Q N 3.355 123.080 119.800 -0.124 0.000 2.269 85 Q HA -0.029 4.313 4.340 0.003 0.000 0.300 85 Q C -0.795 174.944 176.000 -0.436 0.000 1.070 85 Q CA -0.280 55.356 55.803 -0.277 0.000 0.957 85 Q CB 0.346 28.883 28.738 -0.336 0.000 1.131 85 Q HN 0.429 nan 8.270 nan 0.000 0.377 86 D N 3.035 123.135 120.400 -0.499 0.000 2.488 86 D HA 0.009 4.651 4.640 0.003 0.000 0.238 86 D C -0.680 174.993 176.300 -1.044 0.000 1.138 86 D CA 0.322 53.852 54.000 -0.784 0.000 0.873 86 D CB 0.241 40.295 40.800 -1.243 0.000 1.183 86 D HN 0.421 nan 8.370 nan 0.000 0.458 87 F N 2.691 122.064 119.950 -0.961 0.000 2.464 87 F HA 0.161 4.690 4.527 0.003 0.000 0.353 87 F C 0.016 175.430 175.800 -0.643 0.000 1.191 87 F CA -0.281 57.314 58.000 -0.675 0.000 1.147 87 F CB 0.174 38.924 39.000 -0.417 0.000 1.294 87 F HN 0.121 nan 8.300 nan 0.000 0.583 88 W N 3.464 124.776 121.300 0.020 0.000 2.680 88 W HA 0.432 5.093 4.660 0.003 0.000 0.305 88 W C -0.746 175.766 176.519 -0.012 0.000 1.033 88 W CA -1.109 56.248 57.345 0.020 0.000 1.242 88 W CB 0.866 30.333 29.460 0.012 0.000 1.138 88 W HN 0.368 nan 8.180 nan 0.000 0.358 93 G N 0.657 109.585 108.800 0.213 0.000 2.372 93 G HA2 0.648 4.610 3.960 0.003 0.000 0.283 93 G HA3 0.648 4.610 3.960 0.003 0.000 0.283 93 G C -0.728 174.258 174.900 0.143 0.000 1.177 93 G CA -0.355 44.879 45.100 0.223 0.000 0.842 93 G HN 0.357 nan 8.290 nan 0.000 0.503 94 I N 4.128 124.770 120.570 0.121 0.000 2.304 94 I HA 0.219 4.390 4.170 0.003 0.000 0.291 94 I C -1.472 174.787 176.117 0.236 0.000 1.018 94 I CA -1.632 59.751 61.300 0.138 0.000 1.260 94 I CB 1.647 39.701 38.000 0.090 0.000 1.390 94 I HN 0.352 nan 8.210 nan 0.000 0.475 95 P HA 0.068 nan 4.420 nan 0.000 0.275 95 P C -0.903 176.547 177.300 0.250 0.000 1.228 95 P CA -0.073 63.147 63.100 0.200 0.000 0.786 95 P CB 0.920 32.690 31.700 0.116 0.000 0.927 96 H N 3.937 123.034 119.070 0.044 0.000 2.517 96 H HA 0.282 4.839 4.556 0.003 0.000 0.317 96 H C -2.036 173.148 175.328 -0.239 0.000 1.080 96 H CA -1.814 54.077 56.048 -0.261 0.000 1.301 96 H CB 1.338 30.909 29.762 -0.319 0.000 1.425 96 H HN 0.298 nan 8.280 nan 0.000 0.471 97 P HA 0.165 nan 4.420 nan 0.000 0.286 97 P C 0.237 177.136 177.300 -0.668 0.000 1.321 97 P CA -0.356 62.403 63.100 -0.568 0.000 0.790 97 P CB 1.213 32.694 31.700 -0.364 0.000 0.897 98 A N 3.753 126.377 122.820 -0.326 0.000 2.125 98 A HA -0.001 4.321 4.320 0.003 0.000 0.219 98 A C 2.052 179.529 177.584 -0.178 0.000 1.156 98 A CA 1.556 53.482 52.037 -0.186 0.000 0.671 98 A CB -0.999 17.965 19.000 -0.060 0.000 0.794 98 A HN 0.606 nan 8.150 nan 0.000 0.459 99 G N -0.862 107.826 108.800 -0.186 0.000 2.712 99 G HA2 0.101 4.063 3.960 0.003 0.000 0.212 99 G HA3 0.101 4.063 3.960 0.003 0.000 0.212 99 G C 1.269 176.075 174.900 -0.155 0.000 1.142 99 G CA 0.708 45.724 45.100 -0.140 0.000 0.789 99 G HN 0.419 nan 8.290 nan 0.000 0.535 100 L N 1.696 122.791 121.223 -0.213 0.000 2.017 100 L HA -0.035 4.307 4.340 0.003 0.000 0.208 100 L C 2.933 179.687 176.870 -0.193 0.000 1.073 100 L CA 2.456 57.187 54.840 -0.182 0.000 0.745 100 L CB -0.435 41.490 42.059 -0.223 0.000 0.894 100 L HN 0.414 nan 8.230 nan 0.000 0.432 101 K N -0.963 119.307 120.400 -0.217 0.000 2.147 101 K HA -0.220 4.102 4.320 0.003 0.000 0.205 101 K C 1.963 178.409 176.600 -0.256 0.000 1.049 101 K CA 1.755 57.885 56.287 -0.261 0.000 0.936 101 K CB -0.419 31.945 32.500 -0.225 0.000 0.722 101 K HN 0.167 nan 8.250 nan 0.000 0.446 102 K N 0.735 121.026 120.400 -0.181 0.000 2.487 102 K HA 0.081 4.403 4.320 0.003 0.000 0.192 102 K C -0.209 176.307 176.600 -0.139 0.000 1.027 102 K CA 0.100 56.300 56.287 -0.145 0.000 1.054 102 K CB 0.350 32.790 32.500 -0.100 0.000 0.824 102 K HN -0.001 nan 8.250 nan 0.000 0.510 103 K N 0.803 121.108 120.400 -0.158 0.000 2.154 103 K HA 0.089 4.411 4.320 0.003 0.000 0.264 103 K C 0.834 177.344 176.600 -0.150 0.000 1.008 103 K CA -0.071 56.142 56.287 -0.124 0.000 0.937 103 K CB 0.953 33.398 32.500 -0.093 0.000 1.002 103 K HN -0.188 nan 8.250 nan 0.000 0.469 104 K N 0.550 120.888 120.400 -0.104 0.000 2.062 104 K HA 0.020 4.342 4.320 0.003 0.000 0.205 104 K C 0.465 177.017 176.600 -0.080 0.000 1.051 104 K CA 0.934 57.167 56.287 -0.089 0.000 0.941 104 K CB 0.080 32.542 32.500 -0.062 0.000 0.719 104 K HN 0.323 nan 8.250 nan 0.000 0.440 105 S N 0.332 115.939 115.700 -0.156 0.000 2.538 105 S HA 0.481 4.953 4.470 0.003 0.000 0.288 105 S C -0.989 173.480 174.600 -0.218 0.000 1.108 105 S CA -0.775 57.238 58.200 -0.311 0.000 0.971 105 S CB 2.501 65.278 63.200 -0.705 0.000 1.041 105 S HN -0.124 nan 8.310 nan 0.000 0.483 106 V N 3.068 122.851 119.914 -0.219 0.000 2.525 106 V HA 0.522 4.644 4.120 0.003 0.000 0.299 106 V C -0.361 175.706 176.094 -0.044 0.000 1.034 106 V CA -0.572 61.706 62.300 -0.037 0.000 0.863 106 V CB 2.030 33.840 31.823 -0.021 0.000 0.999 106 V HN 0.893 nan 8.190 nan 0.000 0.423 107 T N 4.122 118.717 114.554 0.070 0.000 2.823 107 T HA 0.607 4.959 4.350 0.003 0.000 0.279 107 T C -0.323 174.326 174.700 -0.084 0.000 0.998 107 T CA -0.454 61.646 62.100 -0.001 0.000 0.994 107 T CB 1.826 70.744 68.868 0.083 0.000 0.960 107 T HN 0.345 nan 8.240 nan 0.000 0.448 108 V N 4.623 124.446 119.914 -0.152 0.000 2.370 108 V HA 0.481 4.603 4.120 0.003 0.000 0.279 108 V C -0.241 175.738 176.094 -0.191 0.000 1.029 108 V CA -0.736 61.382 62.300 -0.303 0.000 0.870 108 V CB 0.988 32.633 31.823 -0.297 0.000 0.984 108 V HN 0.703 nan 8.190 nan 0.000 0.451 109 L N 3.389 124.483 121.223 -0.215 0.000 2.346 109 L HA 0.555 4.897 4.340 0.003 0.000 0.276 109 L C -0.467 176.304 176.870 -0.165 0.000 1.006 109 L CA -0.634 54.108 54.840 -0.163 0.000 0.817 109 L CB 2.162 44.138 42.059 -0.137 0.000 1.272 109 L HN 0.551 nan 8.230 nan 0.000 0.421 110 D N 1.982 122.288 120.400 -0.157 0.000 2.380 110 D HA 0.213 4.855 4.640 0.003 0.000 0.230 110 D C 0.444 176.639 176.300 -0.175 0.000 1.154 110 D CA -0.248 53.656 54.000 -0.161 0.000 0.859 110 D CB 1.483 42.194 40.800 -0.149 0.000 1.045 110 D HN 0.274 nan 8.370 nan 0.000 0.495 111 V N 1.843 121.608 119.914 -0.248 0.000 3.319 111 V HA 0.403 4.525 4.120 0.003 0.000 0.317 111 V C 1.799 177.506 176.094 -0.644 0.000 1.411 111 V CA 0.406 62.505 62.300 -0.335 0.000 1.112 111 V CB 0.324 31.984 31.823 -0.273 0.000 1.031 111 V HN 0.435 nan 8.190 nan 0.000 0.448 112 G N 1.173 109.588 108.800 -0.640 0.000 2.485 112 G HA2 -0.363 3.599 3.960 0.003 0.000 0.221 112 G HA3 -0.363 3.599 3.960 0.003 0.000 0.221 112 G C 1.063 175.392 174.900 -0.952 0.000 1.115 112 G CA 1.364 45.915 45.100 -0.915 0.000 0.751 112 G HN 0.635 nan 8.290 nan 0.000 0.567 113 D N 0.606 120.629 120.400 -0.627 0.000 2.149 113 D HA -0.014 4.628 4.640 0.003 0.000 0.198 113 D C 2.640 178.663 176.300 -0.462 0.000 0.990 113 D CA 1.391 55.086 54.000 -0.508 0.000 0.839 113 D CB -0.278 40.415 40.800 -0.178 0.000 0.948 113 D HN 0.263 nan 8.370 nan 0.000 0.460 114 A N -0.680 121.822 122.820 -0.529 0.000 2.019 114 A HA -0.172 4.150 4.320 0.003 0.000 0.219 114 A C 1.993 179.236 177.584 -0.569 0.000 1.164 114 A CA 1.112 52.867 52.037 -0.469 0.000 0.644 114 A CB -1.195 17.487 19.000 -0.530 0.000 0.805 114 A HN 0.552 nan 8.150 nan 0.000 0.449 115 Y N -1.602 118.273 120.300 -0.709 0.000 2.333 115 Y HA -0.197 4.354 4.550 0.003 0.000 0.290 115 Y C 2.001 177.857 175.900 -0.073 0.000 1.144 115 Y CA 0.555 58.342 58.100 -0.521 0.000 1.228 115 Y CB -0.431 37.779 38.460 -0.416 0.000 0.985 115 Y HN 0.361 nan 8.280 nan 0.000 0.542 116 F N -0.054 119.943 119.950 0.078 0.000 2.494 116 F HA -0.185 4.343 4.527 0.003 0.000 0.298 116 F C 2.297 178.167 175.800 0.117 0.000 1.106 116 F CA 0.501 58.573 58.000 0.120 0.000 1.452 116 F CB -0.138 38.922 39.000 0.101 0.000 1.085 116 F HN 0.087 nan 8.300 nan 0.000 0.569 117 S N -0.821 115.047 115.700 0.281 0.000 2.593 117 S HA 0.116 4.588 4.470 0.003 0.000 0.217 117 S C 0.210 174.964 174.600 0.256 0.000 0.966 117 S CA -0.179 58.168 58.200 0.246 0.000 0.914 117 S CB -0.479 62.865 63.200 0.240 0.000 0.776 117 S HN -0.046 nan 8.310 nan 0.000 0.523 118 V N 4.283 124.361 119.914 0.274 0.000 2.409 118 V HA 0.478 4.600 4.120 0.003 0.000 0.291 118 V C -2.369 173.857 176.094 0.220 0.000 1.020 118 V CA -2.297 60.156 62.300 0.254 0.000 0.848 118 V CB 1.826 33.833 31.823 0.306 0.000 0.990 118 V HN 0.205 nan 8.190 nan 0.000 0.430 119 P HA 0.169 nan 4.420 nan 0.000 0.269 119 P C -0.847 176.551 177.300 0.164 0.000 1.215 119 P CA -0.282 62.913 63.100 0.159 0.000 0.780 119 P CB 1.411 33.187 31.700 0.126 0.000 0.898 120 L N 2.147 123.468 121.223 0.163 0.000 2.325 120 L HA 0.394 4.736 4.340 0.003 0.000 0.278 120 L C -0.044 176.914 176.870 0.147 0.000 1.023 120 L CA -0.672 54.267 54.840 0.166 0.000 0.811 120 L CB 0.753 42.916 42.059 0.173 0.000 1.249 120 L HN 0.243 nan 8.230 nan 0.000 0.431 121 D N 2.375 122.866 120.400 0.151 0.000 2.570 121 D HA -0.117 4.525 4.640 0.003 0.000 0.243 121 D C 1.149 177.537 176.300 0.146 0.000 1.171 121 D CA 0.604 54.689 54.000 0.142 0.000 0.879 121 D CB 0.788 41.676 40.800 0.146 0.000 1.143 121 D HN 0.665 nan 8.370 nan 0.000 0.511 122 E N 3.022 123.282 120.200 0.101 0.000 2.136 122 E HA -0.265 4.086 4.350 0.003 0.000 0.202 122 E C 0.809 177.440 176.600 0.052 0.000 1.019 122 E CA 1.958 58.400 56.400 0.070 0.000 0.819 122 E CB -0.016 29.715 29.700 0.050 0.000 0.739 122 E HN 0.608 nan 8.360 nan 0.000 0.458 123 D N -1.239 119.204 120.400 0.072 0.000 2.347 123 D HA -0.097 4.545 4.640 0.003 0.000 0.215 123 D C 1.269 177.589 176.300 0.033 0.000 0.976 123 D CA 0.408 54.433 54.000 0.041 0.000 0.884 123 D CB -0.172 40.673 40.800 0.074 0.000 0.915 123 D HN 0.263 nan 8.370 nan 0.000 0.526 124 F N 1.475 121.403 119.950 -0.037 0.000 2.619 124 F HA 0.143 4.671 4.527 0.003 0.000 0.293 124 F C 2.075 177.805 175.800 -0.117 0.000 1.119 124 F CA 0.060 58.053 58.000 -0.012 0.000 1.445 124 F CB 0.222 39.237 39.000 0.025 0.000 1.119 124 F HN -0.284 nan 8.300 nan 0.000 0.573 125 R N 1.097 121.568 120.500 -0.048 0.000 2.119 125 R HA -0.242 4.099 4.340 0.003 0.000 0.246 125 R C 2.227 178.424 176.300 -0.173 0.000 1.146 125 R CA 2.163 58.224 56.100 -0.065 0.000 0.962 125 R CB -0.615 29.692 30.300 0.011 0.000 0.863 125 R HN 0.390 nan 8.270 nan 0.000 0.442 126 K N -0.014 120.199 120.400 -0.312 0.000 2.152 126 K HA -0.190 4.132 4.320 0.003 0.000 0.206 126 K C 1.408 177.861 176.600 -0.246 0.000 1.048 126 K CA 1.718 57.847 56.287 -0.263 0.000 0.933 126 K CB -0.411 31.910 32.500 -0.297 0.000 0.721 126 K HN 0.351 nan 8.250 nan 0.000 0.447 127 Y N 2.361 122.409 120.300 -0.420 0.000 2.616 127 Y HA -0.062 4.490 4.550 0.003 0.000 0.296 127 Y C 1.955 177.686 175.900 -0.282 0.000 1.154 127 Y CA 0.802 58.548 58.100 -0.591 0.000 1.325 127 Y CB 0.041 37.870 38.460 -1.052 0.000 1.007 127 Y HN 0.295 nan 8.280 nan 0.000 0.542 128 T N -2.347 112.201 114.554 -0.010 0.000 3.206 128 T HA 0.477 4.829 4.350 0.003 0.000 0.253 128 T C 0.707 175.672 174.700 0.442 0.000 1.042 128 T CA -0.190 62.080 62.100 0.282 0.000 0.931 128 T CB -0.375 68.667 68.868 0.291 0.000 1.029 128 T HN 0.196 nan 8.240 nan 0.000 0.564 129 A N 1.852 124.835 122.820 0.273 0.000 2.498 129 A HA 0.558 4.880 4.320 0.003 0.000 0.239 129 A C -0.080 177.678 177.584 0.289 0.000 1.068 129 A CA -0.406 51.755 52.037 0.206 0.000 0.766 129 A CB -0.445 18.624 19.000 0.115 0.000 1.003 129 A HN 0.843 nan 8.150 nan 0.000 0.497 130 F N -0.482 119.518 119.950 0.084 0.000 2.645 130 F HA 0.771 5.300 4.527 0.003 0.000 0.310 130 F C -0.287 175.526 175.800 0.021 0.000 1.102 130 F CA -0.346 57.670 58.000 0.027 0.000 0.952 130 F CB 1.541 40.546 39.000 0.009 0.000 1.326 130 F HN 0.636 nan 8.300 nan 0.000 0.456 131 T N 0.421 115.049 114.554 0.124 0.000 2.848 131 T HA 0.689 5.041 4.350 0.003 0.000 0.285 131 T C -0.883 173.866 174.700 0.081 0.000 0.995 131 T CA -0.583 61.520 62.100 0.004 0.000 0.970 131 T CB 1.249 70.091 68.868 -0.043 0.000 0.976 131 T HN 0.778 nan 8.240 nan 0.000 0.441 132 I N 5.863 126.476 120.570 0.072 0.000 2.312 132 I HA 0.312 4.484 4.170 0.003 0.000 0.291 132 I C -1.758 174.357 176.117 -0.003 0.000 1.031 132 I CA -2.367 58.974 61.300 0.068 0.000 1.293 132 I CB 1.370 39.434 38.000 0.107 0.000 1.403 132 I HN 0.493 nan 8.210 nan 0.000 0.484 133 P HA 0.108 nan 4.420 nan 0.000 0.274 133 P C -0.724 176.557 177.300 -0.033 0.000 1.246 133 P CA -0.324 62.755 63.100 -0.035 0.000 0.795 133 P CB 1.108 32.784 31.700 -0.040 0.000 1.006 134 S N 0.204 115.884 115.700 -0.034 0.000 2.532 134 S HA 0.529 5.001 4.470 0.003 0.000 0.301 134 S C 0.160 174.743 174.600 -0.028 0.000 1.083 134 S CA -0.979 57.202 58.200 -0.032 0.000 1.025 134 S CB 0.523 63.702 63.200 -0.034 0.000 1.056 134 S HN 0.287 nan 8.310 nan 0.000 0.494 135 I N 2.709 123.263 120.570 -0.027 0.000 2.648 135 I HA 0.096 4.268 4.170 0.003 0.000 0.284 135 I C 1.227 177.331 176.117 -0.021 0.000 1.153 135 I CA 0.279 61.565 61.300 -0.024 0.000 1.426 135 I CB -0.159 37.827 38.000 -0.023 0.000 1.381 135 I HN 1.008 nan 8.210 nan 0.000 0.571 136 N N 4.766 123.455 118.700 -0.019 0.000 2.713 136 N HA -0.288 4.454 4.740 0.003 0.000 0.251 136 N C 0.188 175.686 175.510 -0.019 0.000 1.117 136 N CA 1.239 54.279 53.050 -0.017 0.000 0.770 136 N CB -0.936 37.541 38.487 -0.016 0.000 1.137 136 N HN 0.831 nan 8.380 nan 0.000 0.566 137 N N -1.272 117.416 118.700 -0.021 0.000 2.693 137 N HA -0.233 4.509 4.740 0.003 0.000 0.249 137 N C 0.321 175.816 175.510 -0.025 0.000 1.119 137 N CA 1.362 54.397 53.050 -0.024 0.000 0.717 137 N CB -1.106 37.369 38.487 -0.021 0.000 1.071 137 N HN 0.721 nan 8.380 nan 0.000 0.555 138 E N -0.319 119.866 120.200 -0.024 0.000 2.153 138 E HA -0.088 4.264 4.350 0.003 0.000 0.194 138 E C 1.132 177.715 176.600 -0.028 0.000 0.988 138 E CA 1.472 57.858 56.400 -0.024 0.000 0.811 138 E CB 0.112 29.799 29.700 -0.022 0.000 0.746 138 E HN 0.647 nan 8.360 nan 0.000 0.466 139 T N -1.415 113.119 114.554 -0.033 0.000 2.906 139 T HA 0.471 4.823 4.350 0.003 0.000 0.295 139 T C -2.868 171.804 174.700 -0.047 0.000 1.075 139 T CA -2.407 59.669 62.100 -0.040 0.000 1.005 139 T CB 2.100 70.943 68.868 -0.041 0.000 1.136 139 T HN -0.318 nan 8.240 nan 0.000 0.498 140 P HA 0.382 nan 4.420 nan 0.000 0.272 140 P C 0.449 177.705 177.300 -0.075 0.000 1.230 140 P CA -0.131 62.931 63.100 -0.064 0.000 0.788 140 P CB 0.144 31.801 31.700 -0.073 0.000 0.949 141 G N 1.651 110.404 108.800 -0.078 0.000 2.527 141 G HA2 0.307 4.269 3.960 0.003 0.000 0.248 141 G HA3 0.307 4.269 3.960 0.003 0.000 0.248 141 G C -0.251 174.569 174.900 -0.133 0.000 1.231 141 G CA -0.448 44.601 45.100 -0.085 0.000 0.838 141 G HN 0.377 nan 8.290 nan 0.000 0.570 142 I N 1.682 122.166 120.570 -0.142 0.000 2.379 142 I HA 0.187 4.359 4.170 0.003 0.000 0.290 142 I C 0.745 176.629 176.117 -0.389 0.000 1.063 142 I CA 0.015 61.155 61.300 -0.268 0.000 1.351 142 I CB 0.260 38.146 38.000 -0.190 0.000 1.410 142 I HN 0.327 nan 8.210 nan 0.000 0.505 143 R N 6.520 126.720 120.500 -0.500 0.000 2.368 143 R HA 0.624 4.966 4.340 0.003 0.000 0.302 143 R C -1.272 174.584 176.300 -0.740 0.000 1.002 143 R CA -0.572 55.229 56.100 -0.499 0.000 0.929 143 R CB 1.509 31.618 30.300 -0.319 0.000 1.073 143 R HN 0.429 nan 8.270 nan 0.000 0.464 144 Y N 0.051 119.958 120.300 -0.656 0.000 2.615 144 Y HA 0.236 4.788 4.550 0.003 0.000 0.341 144 Y C -0.168 175.387 175.900 -0.575 0.000 1.089 144 Y CA -1.035 56.670 58.100 -0.659 0.000 1.049 144 Y CB 2.327 40.267 38.460 -0.867 0.000 1.296 144 Y HN 0.494 nan 8.280 nan 0.000 0.470 145 Q N -0.107 119.643 119.800 -0.085 0.000 2.456 145 Q HA 0.542 4.884 4.340 0.003 0.000 0.283 145 Q C -2.099 173.955 176.000 0.090 0.000 1.084 145 Q CA -1.138 54.708 55.803 0.072 0.000 0.801 145 Q CB 2.261 31.026 28.738 0.044 0.000 1.434 145 Q HN 0.638 nan 8.270 nan 0.000 0.419 146 Y N 1.208 121.620 120.300 0.186 0.000 2.304 146 Y HA 0.211 4.763 4.550 0.003 0.000 0.327 146 Y C 0.899 176.852 175.900 0.087 0.000 1.209 146 Y CA 0.115 58.306 58.100 0.152 0.000 1.299 146 Y CB 0.981 39.555 38.460 0.189 0.000 1.249 146 Y HN 0.729 nan 8.280 nan 0.000 0.519 147 N N 0.534 119.352 118.700 0.197 0.000 2.294 147 N HA 0.076 4.818 4.740 0.003 0.000 0.186 147 N C -0.474 175.146 175.510 0.183 0.000 1.107 147 N CA 0.451 53.585 53.050 0.141 0.000 0.884 147 N CB 0.809 39.340 38.487 0.073 0.000 1.030 147 N HN 0.380 nan 8.380 nan 0.000 0.482 148 V N -1.909 118.164 119.914 0.265 0.000 3.158 148 V HA 0.533 4.655 4.120 0.003 0.000 0.315 148 V C 0.226 176.523 176.094 0.338 0.000 1.148 148 V CA -1.207 61.265 62.300 0.287 0.000 1.042 148 V CB 1.449 33.450 31.823 0.297 0.000 1.101 148 V HN -0.142 nan 8.190 nan 0.000 0.448 149 L N 2.276 123.683 121.223 0.307 0.000 2.559 149 L HA 0.289 4.630 4.340 0.003 0.000 0.274 149 L C -2.223 174.814 176.870 0.279 0.000 1.205 149 L CA -0.886 54.107 54.840 0.255 0.000 0.907 149 L CB 0.081 42.244 42.059 0.173 0.000 1.153 149 L HN 0.506 nan 8.230 nan 0.000 0.490 150 P HA 0.203 nan 4.420 nan 0.000 0.286 150 P C -1.074 176.286 177.300 0.100 0.000 1.261 150 P CA -0.704 62.286 63.100 -0.182 0.000 0.821 150 P CB 0.746 31.992 31.700 -0.757 0.000 1.013 151 Q N 0.749 120.661 119.800 0.188 0.000 2.352 151 Q HA 0.389 4.731 4.340 0.003 0.000 0.260 151 Q C 1.166 177.327 176.000 0.267 0.000 0.976 151 Q CA 0.793 56.698 55.803 0.170 0.000 0.881 151 Q CB 0.139 28.903 28.738 0.044 0.000 1.235 151 Q HN 0.858 nan 8.270 nan 0.000 0.419 152 G N 1.600 110.548 108.800 0.247 0.000 2.217 152 G HA2 -0.257 3.704 3.960 0.003 0.000 0.246 152 G HA3 -0.257 3.704 3.960 0.003 0.000 0.246 152 G C -0.682 174.423 174.900 0.342 0.000 0.990 152 G CA -0.090 45.216 45.100 0.344 0.000 0.627 152 G HN 0.656 nan 8.290 nan 0.000 0.522 153 W N 3.433 124.657 121.300 -0.126 0.000 2.338 153 W HA 0.601 5.263 4.660 0.003 0.000 0.307 153 W C 1.549 177.895 176.519 -0.289 0.000 1.167 153 W CA -0.760 56.350 57.345 -0.391 0.000 1.208 153 W CB 0.853 29.880 29.460 -0.721 0.000 1.228 153 W HN 0.253 nan 8.180 nan 0.000 0.499 154 K N 3.188 123.213 120.400 -0.626 0.000 2.211 154 K HA -0.102 4.220 4.320 0.003 0.000 0.204 154 K C 1.577 177.463 176.600 -1.190 0.000 1.047 154 K CA 1.770 57.627 56.287 -0.717 0.000 0.935 154 K CB -0.481 31.741 32.500 -0.464 0.000 0.728 154 K HN 0.634 nan 8.250 nan 0.000 0.452 155 G N 0.441 107.917 108.800 -2.207 0.000 2.534 155 G HA2 -0.134 3.828 3.960 0.003 0.000 0.217 155 G HA3 -0.134 3.828 3.960 0.003 0.000 0.217 155 G C 1.218 175.166 174.900 -1.586 0.000 1.128 155 G CA 0.405 43.984 45.100 -2.535 0.000 0.784 155 G HN 0.329 nan 8.290 nan 0.000 0.542 156 S N 1.569 116.630 115.700 -1.065 0.000 2.343 156 S HA -0.066 4.406 4.470 0.003 0.000 0.219 156 S C 0.255 174.287 174.600 -0.947 0.000 1.033 156 S CA 1.493 59.246 58.200 -0.744 0.000 1.014 156 S CB -0.741 62.077 63.200 -0.637 0.000 0.915 156 S HN 0.367 nan 8.310 nan 0.000 0.435 157 P HA -0.004 nan 4.420 nan 0.000 0.218 157 P C 1.218 178.273 177.300 -0.408 0.000 1.149 157 P CA 1.356 64.110 63.100 -0.577 0.000 0.817 157 P CB -0.120 31.377 31.700 -0.338 0.000 0.785 158 A N 0.047 122.510 122.820 -0.595 0.000 1.933 158 A HA -0.138 4.184 4.320 0.003 0.000 0.218 158 A C 2.301 179.633 177.584 -0.419 0.000 1.175 158 A CA 1.398 53.095 52.037 -0.567 0.000 0.628 158 A CB -1.466 16.921 19.000 -1.022 0.000 0.814 158 A HN 0.156 nan 8.150 nan 0.000 0.444 159 I N -2.670 117.637 120.570 -0.438 0.000 2.584 159 I HA -0.054 4.118 4.170 0.003 0.000 0.255 159 I C 2.006 178.086 176.117 -0.061 0.000 1.145 159 I CA 0.665 61.847 61.300 -0.196 0.000 1.462 159 I CB -0.063 37.858 38.000 -0.131 0.000 1.102 159 I HN 0.359 nan 8.210 nan 0.000 0.433 160 F N 1.472 121.285 119.950 -0.228 0.000 2.710 160 F HA -0.068 4.460 4.527 0.003 0.000 0.298 160 F C 2.384 178.146 175.800 -0.063 0.000 1.137 160 F CA 0.755 58.694 58.000 -0.100 0.000 1.444 160 F CB -0.268 38.696 39.000 -0.060 0.000 1.111 160 F HN 0.046 nan 8.300 nan 0.000 0.580 161 Q N 0.348 120.096 119.800 -0.086 0.000 2.082 161 Q HA -0.308 4.034 4.340 0.003 0.000 0.211 161 Q C 2.349 178.248 176.000 -0.169 0.000 1.002 161 Q CA 3.118 58.860 55.803 -0.102 0.000 0.868 161 Q CB -0.287 28.403 28.738 -0.079 0.000 0.931 161 Q HN 0.507 nan 8.270 nan 0.000 0.414 162 S N -0.551 115.044 115.700 -0.175 0.000 2.368 162 S HA -0.136 4.335 4.470 0.003 0.000 0.225 162 S C 2.108 176.551 174.600 -0.262 0.000 1.030 162 S CA 1.425 59.525 58.200 -0.165 0.000 0.999 162 S CB -0.491 62.642 63.200 -0.113 0.000 0.844 162 S HN 0.375 nan 8.310 nan 0.000 0.459 163 S N 1.731 117.162 115.700 -0.450 0.000 2.368 163 S HA 0.006 4.478 4.470 0.003 0.000 0.224 163 S C 1.848 176.083 174.600 -0.609 0.000 1.029 163 S CA 1.498 59.331 58.200 -0.612 0.000 0.988 163 S CB -0.506 62.041 63.200 -1.089 0.000 0.838 163 S HN 0.486 nan 8.310 nan 0.000 0.462 164 M N 2.076 121.300 119.600 -0.626 0.000 2.159 164 M HA -0.075 4.406 4.480 0.003 0.000 0.263 164 M C 1.938 178.108 176.300 -0.217 0.000 1.063 164 M CA 1.581 56.726 55.300 -0.258 0.000 1.110 164 M CB -1.281 31.314 32.600 -0.008 0.000 1.374 164 M HN 0.193 nan 8.290 nan 0.000 0.411 165 T N 0.042 114.478 114.554 -0.197 0.000 2.708 165 T HA -0.191 4.161 4.350 0.003 0.000 0.266 165 T C 1.800 176.381 174.700 -0.198 0.000 1.037 165 T CA 1.812 63.824 62.100 -0.147 0.000 1.146 165 T CB -0.331 68.475 68.868 -0.103 0.000 0.865 165 T HN 0.464 nan 8.240 nan 0.000 0.435 166 K N 0.626 120.883 120.400 -0.239 0.000 2.209 166 K HA 0.011 4.333 4.320 0.003 0.000 0.204 166 K C 2.088 178.316 176.600 -0.621 0.000 1.048 166 K CA 1.000 57.122 56.287 -0.276 0.000 0.940 166 K CB -0.224 32.168 32.500 -0.180 0.000 0.729 166 K HN 0.356 nan 8.250 nan 0.000 0.451 167 I N 0.535 120.665 120.570 -0.733 0.000 2.500 167 I HA -0.179 3.993 4.170 0.003 0.000 0.252 167 I C 1.522 177.179 176.117 -0.766 0.000 1.142 167 I CA 0.769 61.337 61.300 -1.220 0.000 1.451 167 I CB 0.110 37.710 38.000 -0.668 0.000 1.093 167 I HN 0.125 nan 8.210 nan 0.000 0.430 168 L N 0.171 121.168 121.223 -0.377 0.000 2.607 168 L HA 0.066 4.407 4.340 0.003 0.000 0.228 168 L C 2.158 178.993 176.870 -0.058 0.000 1.123 168 L CA 0.124 54.856 54.840 -0.181 0.000 0.890 168 L CB -0.248 41.739 42.059 -0.119 0.000 1.103 168 L HN 0.219 nan 8.230 nan 0.000 0.468 169 E N 1.869 122.013 120.200 -0.092 0.000 2.051 169 E HA -0.182 4.170 4.350 0.003 0.000 0.192 169 E C -0.538 176.098 176.600 0.061 0.000 0.991 169 E CA 1.406 57.800 56.400 -0.010 0.000 0.799 169 E CB -0.478 29.213 29.700 -0.015 0.000 0.748 169 E HN 0.275 nan 8.360 nan 0.000 0.449 170 P HA -0.172 nan 4.420 nan 0.000 0.218 170 P C 1.336 178.731 177.300 0.158 0.000 1.149 170 P CA 1.106 64.343 63.100 0.227 0.000 0.817 170 P CB -0.204 31.771 31.700 0.460 0.000 0.785 171 F N 1.518 121.407 119.950 -0.101 0.000 2.187 171 F HA 0.002 4.531 4.527 0.003 0.000 0.295 171 F C 2.174 177.900 175.800 -0.123 0.000 1.091 171 F CA 1.296 59.149 58.000 -0.245 0.000 1.308 171 F CB -0.337 38.365 39.000 -0.497 0.000 1.030 171 F HN -0.326 nan 8.300 nan 0.000 0.487 172 K N 0.755 121.182 120.400 0.046 0.000 2.097 172 K HA -0.156 4.166 4.320 0.003 0.000 0.206 172 K C 1.969 178.517 176.600 -0.086 0.000 1.049 172 K CA 1.334 57.612 56.287 -0.015 0.000 0.933 172 K CB -0.296 32.229 32.500 0.041 0.000 0.717 172 K HN 0.363 nan 8.250 nan 0.000 0.442 173 K N 0.542 120.908 120.400 -0.057 0.000 2.155 173 K HA -0.080 4.242 4.320 0.003 0.000 0.203 173 K C 2.056 178.604 176.600 -0.086 0.000 1.052 173 K CA 0.820 57.078 56.287 -0.048 0.000 0.948 173 K CB 0.102 32.598 32.500 -0.006 0.000 0.728 173 K HN 0.199 nan 8.250 nan 0.000 0.448 174 Q N 0.134 119.849 119.800 -0.141 0.000 2.398 174 Q HA 0.039 4.380 4.340 0.003 0.000 0.204 174 Q C -0.166 175.689 176.000 -0.242 0.000 0.932 174 Q CA 0.512 56.217 55.803 -0.164 0.000 0.916 174 Q CB 0.469 29.112 28.738 -0.159 0.000 1.024 174 Q HN 0.251 nan 8.270 nan 0.000 0.504 175 N N 0.803 119.302 118.700 -0.336 0.000 2.762 175 N HA 0.130 4.872 4.740 0.003 0.000 0.252 175 N C -2.191 173.200 175.510 -0.198 0.000 1.269 175 N CA -0.929 51.924 53.050 -0.329 0.000 0.799 175 N CB 1.553 39.664 38.487 -0.627 0.000 1.173 175 N HN 0.036 nan 8.380 nan 0.000 0.516 176 P HA -0.150 nan 4.420 nan 0.000 0.215 176 P C 0.267 177.539 177.300 -0.048 0.000 1.157 176 P CA 1.558 64.617 63.100 -0.069 0.000 0.868 176 P CB 0.204 31.871 31.700 -0.054 0.000 0.788 177 D N -1.199 119.173 120.400 -0.046 0.000 2.325 177 D HA 0.114 4.756 4.640 0.003 0.000 0.234 177 D C 0.679 176.972 176.300 -0.012 0.000 1.122 177 D CA -0.142 53.841 54.000 -0.028 0.000 0.850 177 D CB -0.827 39.957 40.800 -0.026 0.000 0.921 177 D HN 0.218 nan 8.370 nan 0.000 0.513 178 I N 1.065 121.630 120.570 -0.008 0.000 2.342 178 I HA 0.160 4.331 4.170 0.003 0.000 0.291 178 I C -0.246 175.907 176.117 0.059 0.000 1.010 178 I CA -1.003 60.322 61.300 0.041 0.000 1.308 178 I CB 1.671 39.715 38.000 0.072 0.000 1.400 178 I HN -0.141 nan 8.210 nan 0.000 0.488 179 V N 8.053 128.002 119.914 0.059 0.000 2.439 179 V HA 0.393 4.515 4.120 0.003 0.000 0.282 179 V C 0.096 176.250 176.094 0.099 0.000 1.039 179 V CA -0.370 61.961 62.300 0.051 0.000 0.913 179 V CB 1.508 33.333 31.823 0.002 0.000 0.983 179 V HN 0.448 nan 8.190 nan 0.000 0.460 180 I N 5.246 125.883 120.570 0.112 0.000 2.439 180 I HA 0.376 4.548 4.170 0.003 0.000 0.285 180 I C -1.380 174.863 176.117 0.211 0.000 1.021 180 I CA -0.621 60.764 61.300 0.142 0.000 1.091 180 I CB 1.582 39.640 38.000 0.096 0.000 1.242 180 I HN 0.588 nan 8.210 nan 0.000 0.439 181 Y N 6.422 126.791 120.300 0.116 0.000 2.364 181 Y HA 0.412 4.964 4.550 0.003 0.000 0.340 181 Y C -0.523 175.527 175.900 0.249 0.000 0.975 181 Y CA -0.827 57.352 58.100 0.131 0.000 1.089 181 Y CB 1.625 40.124 38.460 0.065 0.000 1.192 181 Y HN 0.537 nan 8.280 nan 0.000 0.454 182 Q N 5.956 125.588 119.800 -0.280 0.000 2.325 182 Q HA 0.327 4.669 4.340 0.003 0.000 0.262 182 Q C -2.255 173.472 176.000 -0.454 0.000 0.968 182 Q CA -0.788 54.891 55.803 -0.207 0.000 0.877 182 Q CB 1.087 29.800 28.738 -0.043 0.000 1.253 182 Q HN 0.774 nan 8.270 nan 0.000 0.448 183 Y N 6.203 126.342 120.300 -0.269 0.000 2.331 183 Y HA 0.336 4.887 4.550 0.003 0.000 0.326 183 Y C -0.132 175.832 175.900 0.106 0.000 1.020 183 Y CA -0.508 57.492 58.100 -0.166 0.000 1.136 183 Y CB 0.884 39.268 38.460 -0.127 0.000 1.157 183 Y HN 1.017 nan 8.280 nan 0.000 0.444 184 M N 1.995 121.280 119.600 -0.525 0.000 7.319 184 M HA -0.373 4.109 4.480 0.003 0.000 0.313 184 M C 0.385 176.734 176.300 0.083 0.000 0.480 184 M CA 2.397 57.545 55.300 -0.254 0.000 1.311 184 M CB -1.109 31.403 32.600 -0.147 0.000 0.421 184 M HN 0.753 nan 8.290 nan 0.000 0.747 185 D N 0.460 120.948 120.400 0.146 0.000 2.328 185 D HA 0.218 4.860 4.640 0.003 0.000 0.221 185 D C -0.535 175.755 176.300 -0.017 0.000 1.072 185 D CA 0.360 54.393 54.000 0.055 0.000 0.850 185 D CB -0.328 40.452 40.800 -0.034 0.000 0.922 185 D HN 0.387 nan 8.370 nan 0.000 0.516 186 D N 0.185 120.655 120.400 0.117 0.000 2.228 186 D HA 0.430 5.072 4.640 0.003 0.000 0.247 186 D C -0.660 175.684 176.300 0.073 0.000 0.995 186 D CA -0.546 53.499 54.000 0.074 0.000 0.903 186 D CB 2.013 42.945 40.800 0.220 0.000 1.205 186 D HN -0.161 nan 8.370 nan 0.000 0.459 187 L N 2.315 123.498 121.223 -0.067 0.000 2.349 187 L HA 0.391 4.733 4.340 0.003 0.000 0.278 187 L C -1.742 175.084 176.870 -0.073 0.000 0.996 187 L CA -0.648 54.193 54.840 0.002 0.000 0.825 187 L CB 0.865 42.895 42.059 -0.048 0.000 1.243 187 L HN 0.296 nan 8.230 nan 0.000 0.412 188 Y N 4.419 124.771 120.300 0.086 0.000 2.353 188 Y HA 0.537 5.089 4.550 0.003 0.000 0.340 188 Y C -0.144 175.809 175.900 0.087 0.000 0.972 188 Y CA -0.746 57.423 58.100 0.116 0.000 1.157 188 Y CB 1.529 40.112 38.460 0.205 0.000 1.157 188 Y HN 0.231 nan 8.280 nan 0.000 0.495 189 V N 3.709 123.707 119.914 0.139 0.000 2.313 189 V HA 0.684 4.806 4.120 0.003 0.000 0.278 189 V C 0.403 176.587 176.094 0.151 0.000 1.017 189 V CA -0.772 61.590 62.300 0.103 0.000 0.823 189 V CB 1.050 32.871 31.823 -0.003 0.000 1.010 189 V HN 0.908 nan 8.190 nan 0.000 0.443 190 G N 3.064 111.952 108.800 0.147 0.000 2.420 190 G HA2 0.775 4.736 3.960 0.003 0.000 0.331 190 G HA3 0.775 4.736 3.960 0.003 0.000 0.331 190 G C -0.452 174.539 174.900 0.150 0.000 1.168 190 G CA -0.160 45.026 45.100 0.145 0.000 0.936 190 G HN 0.956 nan 8.290 nan 0.000 0.479 191 S N -0.298 115.516 115.700 0.189 0.000 2.615 191 S HA 0.457 4.929 4.470 0.003 0.000 0.269 191 S C -0.869 173.785 174.600 0.090 0.000 1.161 191 S CA -0.782 57.511 58.200 0.156 0.000 0.817 191 S CB 2.190 65.538 63.200 0.247 0.000 1.131 191 S HN 0.329 nan 8.310 nan 0.000 0.467 192 D N 0.659 121.092 120.400 0.056 0.000 2.363 192 D HA 0.308 4.950 4.640 0.003 0.000 0.214 192 D C 0.555 176.873 176.300 0.031 0.000 1.093 192 D CA -0.021 53.988 54.000 0.015 0.000 0.837 192 D CB 0.107 40.905 40.800 -0.004 0.000 0.948 192 D HN 0.409 nan 8.370 nan 0.000 0.507 193 L N 1.000 122.275 121.223 0.087 0.000 2.473 193 L HA 0.040 4.382 4.340 0.003 0.000 0.265 193 L C 1.037 177.950 176.870 0.071 0.000 1.243 193 L CA 0.179 55.074 54.840 0.092 0.000 0.822 193 L CB 0.509 42.656 42.059 0.146 0.000 1.101 193 L HN -0.183 nan 8.230 nan 0.000 0.507 194 E N 0.560 120.799 120.200 0.065 0.000 2.301 194 E HA 0.064 4.416 4.350 0.003 0.000 0.275 194 E C 1.031 177.682 176.600 0.084 0.000 1.030 194 E CA -0.287 56.140 56.400 0.045 0.000 0.852 194 E CB 1.524 31.243 29.700 0.032 0.000 1.060 194 E HN 0.493 nan 8.360 nan 0.000 0.401 195 I N 2.741 123.346 120.570 0.059 0.000 2.227 195 I HA -0.329 3.842 4.170 0.003 0.000 0.250 195 I C 1.819 178.013 176.117 0.128 0.000 1.087 195 I CA 1.829 63.187 61.300 0.096 0.000 1.352 195 I CB -0.221 37.818 38.000 0.066 0.000 1.043 195 I HN 0.767 nan 8.210 nan 0.000 0.425 196 G N 0.406 109.259 108.800 0.088 0.000 2.552 196 G HA2 -0.324 3.637 3.960 0.003 0.000 0.216 196 G HA3 -0.324 3.637 3.960 0.003 0.000 0.216 196 G C 1.318 176.273 174.900 0.091 0.000 1.240 196 G CA 0.961 46.108 45.100 0.078 0.000 0.796 196 G HN 0.624 nan 8.290 nan 0.000 0.568 197 Q N -0.501 119.350 119.800 0.086 0.000 2.084 197 Q HA -0.190 4.152 4.340 0.003 0.000 0.202 197 Q C 2.239 178.299 176.000 0.099 0.000 0.978 197 Q CA 1.730 57.580 55.803 0.079 0.000 0.844 197 Q CB -0.719 28.057 28.738 0.062 0.000 0.898 197 Q HN 0.689 nan 8.270 nan 0.000 0.426 198 H N 1.501 120.598 119.070 0.045 0.000 2.321 198 H HA -0.105 4.452 4.556 0.003 0.000 0.295 198 H C 1.802 177.166 175.328 0.059 0.000 1.102 198 H CA 2.350 58.429 56.048 0.051 0.000 1.266 198 H CB 0.122 29.910 29.762 0.044 0.000 1.363 198 H HN 0.178 nan 8.280 nan 0.000 0.492 199 R N -0.952 119.630 120.500 0.136 0.000 2.307 199 R HA 0.011 4.353 4.340 0.003 0.000 0.199 199 R C 1.768 178.095 176.300 0.045 0.000 1.000 199 R CA 1.130 57.278 56.100 0.080 0.000 1.023 199 R CB 0.261 30.636 30.300 0.124 0.000 0.908 199 R HN 0.345 nan 8.270 nan 0.000 0.473 200 T N 0.648 115.232 114.554 0.050 0.000 2.937 200 T HA 0.011 4.363 4.350 0.003 0.000 0.260 200 T C 1.591 176.330 174.700 0.064 0.000 1.051 200 T CA 0.568 62.702 62.100 0.057 0.000 1.141 200 T CB 0.158 69.061 68.868 0.058 0.000 0.879 200 T HN 0.038 nan 8.240 nan 0.000 0.459 201 K N 1.311 121.740 120.400 0.048 0.000 2.057 201 K HA 0.040 4.361 4.320 0.003 0.000 0.207 201 K C 2.177 178.829 176.600 0.086 0.000 1.049 201 K CA 0.803 57.161 56.287 0.119 0.000 0.931 201 K CB -0.515 32.028 32.500 0.071 0.000 0.714 201 K HN 0.296 nan 8.250 nan 0.000 0.440 202 I N 1.501 122.037 120.570 -0.058 0.000 2.113 202 I HA -0.251 3.921 4.170 0.003 0.000 0.238 202 I C 2.512 178.602 176.117 -0.046 0.000 1.070 202 I CA 1.512 62.750 61.300 -0.103 0.000 1.332 202 I CB -1.314 36.623 38.000 -0.105 0.000 1.044 202 I HN 0.240 nan 8.210 nan 0.000 0.402 203 E N 1.567 121.773 120.200 0.011 0.000 2.160 203 E HA -0.238 4.114 4.350 0.003 0.000 0.195 203 E C 1.938 178.579 176.600 0.068 0.000 0.991 203 E CA 1.625 58.050 56.400 0.043 0.000 0.810 203 E CB -0.328 29.407 29.700 0.059 0.000 0.742 203 E HN 0.492 nan 8.360 nan 0.000 0.466 204 E N -0.562 119.696 120.200 0.098 0.000 2.152 204 E HA -0.115 4.236 4.350 0.003 0.000 0.192 204 E C 1.891 178.594 176.600 0.173 0.000 0.983 204 E CA 0.898 57.409 56.400 0.185 0.000 0.818 204 E CB -0.087 29.766 29.700 0.255 0.000 0.758 204 E HN 0.298 nan 8.360 nan 0.000 0.467 205 L N 0.920 122.102 121.223 -0.068 0.000 2.179 205 L HA -0.062 4.280 4.340 0.003 0.000 0.208 205 L C 2.217 179.022 176.870 -0.108 0.000 1.096 205 L CA 1.356 55.958 54.840 -0.396 0.000 0.779 205 L CB -0.149 41.449 42.059 -0.769 0.000 0.922 205 L HN -0.100 nan 8.230 nan 0.000 0.443 206 R N -1.079 119.399 120.500 -0.037 0.000 2.075 206 R HA -0.154 4.187 4.340 0.003 0.000 0.230 206 R C 2.251 178.600 176.300 0.082 0.000 1.140 206 R CA 1.614 57.725 56.100 0.017 0.000 0.928 206 R CB -0.278 30.042 30.300 0.033 0.000 0.834 206 R HN 0.362 nan 8.270 nan 0.000 0.429 207 Q N -0.327 119.536 119.800 0.104 0.000 2.197 207 Q HA -0.227 4.115 4.340 0.003 0.000 0.207 207 Q C 1.925 178.013 176.000 0.147 0.000 0.984 207 Q CA 1.674 57.543 55.803 0.110 0.000 0.869 207 Q CB -0.490 28.311 28.738 0.105 0.000 0.906 207 Q HN 0.515 nan 8.270 nan 0.000 0.426 208 H N -0.440 118.694 119.070 0.107 0.000 2.352 208 H HA -0.112 4.446 4.556 0.003 0.000 0.299 208 H C 1.678 177.167 175.328 0.269 0.000 1.097 208 H CA 1.397 57.571 56.048 0.211 0.000 1.311 208 H CB 0.122 29.959 29.762 0.125 0.000 1.377 208 H HN 0.072 nan 8.280 nan 0.000 0.504 209 L N -0.449 120.924 121.223 0.249 0.000 2.179 209 L HA -0.060 4.282 4.340 0.003 0.000 0.208 209 L C 2.094 179.069 176.870 0.174 0.000 1.096 209 L CA 1.005 55.964 54.840 0.198 0.000 0.779 209 L CB -0.447 41.665 42.059 0.088 0.000 0.922 209 L HN 0.289 nan 8.230 nan 0.000 0.443 210 L N -1.073 120.225 121.223 0.126 0.000 2.156 210 L HA -0.147 4.195 4.340 0.003 0.000 0.208 210 L C 2.683 179.601 176.870 0.080 0.000 1.095 210 L CA 0.982 55.875 54.840 0.088 0.000 0.770 210 L CB -0.395 41.702 42.059 0.063 0.000 0.914 210 L HN 0.246 nan 8.230 nan 0.000 0.439 211 R N -0.366 120.183 120.500 0.081 0.000 2.100 211 R HA -0.140 4.202 4.340 0.003 0.000 0.220 211 R C 1.784 178.081 176.300 -0.006 0.000 1.091 211 R CA 0.956 57.057 56.100 0.003 0.000 0.986 211 R CB -0.222 30.041 30.300 -0.061 0.000 0.888 211 R HN 0.243 nan 8.270 nan 0.000 0.444 212 W N 0.698 121.999 121.300 0.003 0.000 3.216 212 W HA 0.240 4.902 4.660 0.003 0.000 0.247 212 W C 0.413 176.965 176.519 0.055 0.000 1.326 212 W CA 0.982 58.345 57.345 0.030 0.000 1.564 212 W CB 0.381 29.879 29.460 0.062 0.000 1.113 212 W HN 0.356 nan 8.180 nan 0.000 0.722 227 F N 0.109 120.131 119.950 0.120 0.000 2.772 227 F HA 0.330 4.859 4.527 0.003 0.000 0.316 227 F C 1.899 177.586 175.800 -0.189 0.000 1.114 227 F CA -0.455 57.531 58.000 -0.024 0.000 1.191 227 F CB 0.563 39.486 39.000 -0.128 0.000 1.065 227 F HN -0.116 nan 8.300 nan 0.000 0.534 228 L N 1.268 122.552 121.223 0.102 0.000 2.127 228 L HA -0.193 4.149 4.340 0.003 0.000 0.211 228 L C 2.527 179.410 176.870 0.022 0.000 1.089 228 L CA 1.557 56.416 54.840 0.031 0.000 0.757 228 L CB -0.279 41.813 42.059 0.056 0.000 0.899 228 L HN 0.548 nan 8.230 nan 0.000 0.434 229 W N -0.187 121.109 121.300 -0.006 0.000 2.421 229 W HA -0.116 4.546 4.660 0.003 0.000 0.270 229 W C 0.972 177.498 176.519 0.012 0.000 1.233 229 W CA -0.189 57.154 57.345 -0.004 0.000 1.226 229 W CB -1.228 28.223 29.460 -0.017 0.000 1.121 229 W HN 0.055 nan 8.180 nan 0.000 0.579 230 M N 1.124 120.216 119.600 -0.847 0.000 2.167 230 M HA 0.430 4.912 4.480 0.003 0.000 0.300 230 M C 0.592 176.705 176.300 -0.312 0.000 1.171 230 M CA 1.231 56.068 55.300 -0.773 0.000 1.171 230 M CB 0.529 32.624 32.600 -0.841 0.000 1.396 230 M HN -0.010 nan 8.290 nan 0.000 0.466 231 G N 1.141 109.813 108.800 -0.213 0.000 2.552 231 G HA2 0.397 4.358 3.960 0.003 0.000 0.288 231 G HA3 0.397 4.358 3.960 0.003 0.000 0.288 231 G C -2.368 172.537 174.900 0.009 0.000 1.358 231 G CA -0.411 44.639 45.100 -0.084 0.000 1.305 231 G HN 0.566 nan 8.290 nan 0.000 0.602 232 Y N 3.348 123.566 120.300 -0.137 0.000 2.504 232 Y HA 0.441 4.993 4.550 0.003 0.000 0.339 232 Y C 0.448 176.305 175.900 -0.072 0.000 0.974 232 Y CA -1.739 56.298 58.100 -0.104 0.000 1.232 232 Y CB 0.714 39.104 38.460 -0.116 0.000 1.108 232 Y HN 0.627 nan 8.280 nan 0.000 0.509 233 E N 6.591 126.680 120.200 -0.185 0.000 2.227 233 E HA 0.546 4.898 4.350 0.003 0.000 0.282 233 E C -1.278 175.012 176.600 -0.517 0.000 1.015 233 E CA -0.633 55.580 56.400 -0.311 0.000 0.823 233 E CB 1.834 31.424 29.700 -0.184 0.000 1.081 233 E HN 0.600 nan 8.360 nan 0.000 0.396 234 L N 1.901 122.801 121.223 -0.538 0.000 2.303 234 L HA 0.458 4.800 4.340 0.003 0.000 0.266 234 L C -0.010 176.439 176.870 -0.702 0.000 1.011 234 L CA -1.208 53.368 54.840 -0.441 0.000 0.818 234 L CB 1.691 43.656 42.059 -0.157 0.000 1.326 234 L HN 0.592 nan 8.230 nan 0.000 0.435 235 H N 0.165 119.157 119.070 -0.130 0.000 2.429 235 H HA 0.193 4.750 4.556 0.003 0.000 0.231 235 H C -2.175 172.801 175.328 -0.587 0.000 1.416 235 H CA -1.488 54.405 56.048 -0.258 0.000 1.443 235 H CB 1.141 30.829 29.762 -0.122 0.000 1.591 235 H HN 0.302 nan 8.280 nan 0.000 0.507 236 P HA -0.194 nan 4.420 nan 0.000 0.215 236 P C 1.601 178.398 177.300 -0.839 0.000 1.163 236 P CA 1.249 63.306 63.100 -1.737 0.000 0.894 236 P CB 0.481 31.428 31.700 -1.255 0.000 0.791 237 D N -0.788 119.350 120.400 -0.437 0.000 2.322 237 D HA -0.179 4.462 4.640 0.003 0.000 0.210 237 D C 0.969 177.196 176.300 -0.121 0.000 0.983 237 D CA 1.148 55.017 54.000 -0.218 0.000 0.902 237 D CB -0.255 40.458 40.800 -0.146 0.000 0.905 237 D HN 0.174 nan 8.370 nan 0.000 0.483 238 K N -0.597 119.736 120.400 -0.111 0.000 2.618 238 K HA 0.045 4.367 4.320 0.003 0.000 0.207 238 K C -0.529 176.197 176.600 0.209 0.000 1.058 238 K CA -0.561 55.748 56.287 0.036 0.000 1.086 238 K CB 0.479 33.001 32.500 0.037 0.000 0.827 238 K HN 0.041 nan 8.250 nan 0.000 0.481 239 W N 2.719 124.046 121.300 0.045 0.000 2.585 239 W HA 0.101 4.763 4.660 0.003 0.000 0.337 239 W C 0.301 176.854 176.519 0.057 0.000 1.226 239 W CA -0.702 56.682 57.345 0.064 0.000 1.463 239 W CB -0.570 28.921 29.460 0.052 0.000 1.458 239 W HN -0.068 nan 8.180 nan 0.000 0.458 240 T N 2.717 117.434 114.554 0.272 0.000 2.937 240 T HA 0.207 4.559 4.350 0.003 0.000 0.316 240 T C 0.560 175.330 174.700 0.117 0.000 1.079 240 T CA -0.216 61.980 62.100 0.159 0.000 1.131 240 T CB 0.912 69.857 68.868 0.129 0.000 1.000 240 T HN 0.051 nan 8.240 nan 0.000 0.549 241 V N 1.962 121.924 119.914 0.081 0.000 3.177 241 V HA 0.508 4.630 4.120 0.003 0.000 0.319 241 V C -0.017 176.091 176.094 0.024 0.000 1.125 241 V CA -0.896 61.432 62.300 0.047 0.000 1.029 241 V CB 1.891 33.752 31.823 0.064 0.000 1.119 241 V HN 0.798 nan 8.190 nan 0.000 0.452 242 Q N 2.229 122.034 119.800 0.009 0.000 2.695 242 Q HA 0.374 4.716 4.340 0.003 0.000 0.246 242 Q C -2.672 173.388 176.000 0.100 0.000 0.961 242 Q CA -1.412 54.409 55.803 0.030 0.000 0.708 242 Q CB 2.208 30.925 28.738 -0.034 0.000 1.282 242 Q HN 0.634 nan 8.270 nan 0.000 0.482 243 P HA 0.291 nan 4.420 nan 0.000 0.277 243 P C -0.324 177.081 177.300 0.177 0.000 1.271 243 P CA -0.398 62.788 63.100 0.144 0.000 0.795 243 P CB 1.352 33.112 31.700 0.100 0.000 1.101 244 I N 0.734 121.411 120.570 0.180 0.000 2.325 244 I HA 0.201 4.373 4.170 0.003 0.000 0.291 244 I C 0.632 176.806 176.117 0.095 0.000 1.019 244 I CA -0.778 60.635 61.300 0.188 0.000 1.302 244 I CB 1.156 39.277 38.000 0.202 0.000 1.401 244 I HN 0.111 nan 8.210 nan 0.000 0.485 245 V N 5.425 125.402 119.914 0.104 0.000 2.815 245 V HA 0.663 4.785 4.120 0.003 0.000 0.314 245 V C -0.503 175.638 176.094 0.078 0.000 1.064 245 V CA -0.860 61.482 62.300 0.070 0.000 0.952 245 V CB 2.023 33.886 31.823 0.068 0.000 1.020 245 V HN 0.538 nan 8.190 nan 0.000 0.439 246 L N 2.274 123.540 121.223 0.072 0.000 2.330 246 L HA 0.653 4.995 4.340 0.003 0.000 0.271 246 L C -2.273 174.676 176.870 0.131 0.000 1.013 246 L CA -1.834 53.069 54.840 0.106 0.000 0.816 246 L CB 1.845 43.960 42.059 0.093 0.000 1.287 246 L HN 0.484 nan 8.230 nan 0.000 0.435 247 P HA 0.121 nan 4.420 nan 0.000 0.269 247 P C -1.214 176.168 177.300 0.138 0.000 1.215 247 P CA -0.234 62.924 63.100 0.097 0.000 0.780 247 P CB 0.470 32.179 31.700 0.016 0.000 0.898 248 E N 2.130 122.334 120.200 0.007 0.000 2.220 248 E HA 0.344 4.696 4.350 0.003 0.000 0.256 248 E C -0.672 175.852 176.600 -0.126 0.000 0.881 248 E CA -0.638 55.786 56.400 0.040 0.000 0.766 248 E CB 1.661 31.384 29.700 0.040 0.000 1.187 248 E HN 0.361 nan 8.360 nan 0.000 0.419 249 K N 1.322 121.587 120.400 -0.225 0.000 2.444 249 K HA 0.321 4.643 4.320 0.003 0.000 0.252 249 K C -0.207 176.271 176.600 -0.204 0.000 0.993 249 K CA -0.809 55.223 56.287 -0.426 0.000 0.847 249 K CB 1.711 33.572 32.500 -1.064 0.000 1.340 249 K HN 0.163 nan 8.250 nan 0.000 0.446 250 D N 0.039 120.336 120.400 -0.172 0.000 2.301 250 D HA -0.026 4.616 4.640 0.003 0.000 0.206 250 D C -0.033 176.262 176.300 -0.008 0.000 0.979 250 D CA 0.820 54.797 54.000 -0.037 0.000 0.874 250 D CB 0.532 41.313 40.800 -0.032 0.000 0.968 250 D HN 0.469 nan 8.370 nan 0.000 0.510 251 S N -0.462 115.165 115.700 -0.122 0.000 2.619 251 S HA 0.519 4.991 4.470 0.003 0.000 0.280 251 S C -1.420 173.108 174.600 -0.120 0.000 1.150 251 S CA -0.955 57.234 58.200 -0.017 0.000 0.978 251 S CB 0.954 64.148 63.200 -0.010 0.000 1.041 251 S HN 0.009 nan 8.310 nan 0.000 0.485 252 W N 2.350 123.651 121.300 0.001 0.000 2.478 252 W HA 0.586 5.248 4.660 0.002 0.000 0.318 252 W C 0.795 177.316 176.519 0.003 0.000 1.062 252 W CA -0.413 56.934 57.345 0.003 0.000 1.210 252 W CB 1.801 31.262 29.460 0.002 0.000 1.325 252 W HN 0.854 nan 8.180 nan 0.000 0.496 253 T N -1.842 112.833 114.554 0.203 0.000 2.862 253 T HA 0.281 4.632 4.350 0.003 0.000 0.276 253 T C 0.870 175.657 174.700 0.145 0.000 0.974 253 T CA -0.751 61.427 62.100 0.130 0.000 0.966 253 T CB 1.138 70.049 68.868 0.072 0.000 1.072 253 T HN 0.211 nan 8.240 nan 0.000 0.538 254 V N 1.508 121.478 119.914 0.094 0.000 2.332 254 V HA -0.198 3.924 4.120 0.003 0.000 0.248 254 V C 2.894 179.039 176.094 0.086 0.000 1.055 254 V CA 2.248 64.594 62.300 0.077 0.000 1.038 254 V CB -1.153 30.701 31.823 0.050 0.000 0.651 254 V HN 0.997 nan 8.190 nan 0.000 0.450 255 N N 0.019 118.767 118.700 0.080 0.000 2.084 255 N HA -0.216 4.526 4.740 0.003 0.000 0.190 255 N C 1.532 177.110 175.510 0.114 0.000 1.030 255 N CA 1.772 54.869 53.050 0.078 0.000 0.849 255 N CB -0.075 38.445 38.487 0.055 0.000 1.012 255 N HN 0.470 nan 8.380 nan 0.000 0.423 256 D N 1.083 121.572 120.400 0.149 0.000 2.123 256 D HA -0.131 4.511 4.640 0.003 0.000 0.196 256 D C 2.053 178.541 176.300 0.314 0.000 0.992 256 D CA 0.652 54.793 54.000 0.234 0.000 0.833 256 D CB -0.216 40.755 40.800 0.285 0.000 0.954 256 D HN 0.345 nan 8.370 nan 0.000 0.455 257 I N 1.046 121.770 120.570 0.257 0.000 2.315 257 I HA -0.190 3.982 4.170 0.003 0.000 0.248 257 I C 2.329 178.493 176.117 0.079 0.000 1.117 257 I CA 1.024 62.397 61.300 0.121 0.000 1.404 257 I CB -1.011 37.008 38.000 0.032 0.000 1.071 257 I HN 0.100 nan 8.210 nan 0.000 0.419 258 Q N 0.678 120.531 119.800 0.089 0.000 2.084 258 Q HA -0.210 4.132 4.340 0.003 0.000 0.202 258 Q C 2.212 178.281 176.000 0.115 0.000 0.978 258 Q CA 1.468 57.319 55.803 0.080 0.000 0.844 258 Q CB -0.079 28.704 28.738 0.075 0.000 0.898 258 Q HN 0.480 nan 8.270 nan 0.000 0.426 259 K N 0.260 120.749 120.400 0.148 0.000 2.097 259 K HA -0.147 4.175 4.320 0.003 0.000 0.205 259 K C 2.005 178.721 176.600 0.193 0.000 1.050 259 K CA 0.784 57.193 56.287 0.204 0.000 0.938 259 K CB -0.119 32.494 32.500 0.188 0.000 0.718 259 K HN 0.059 nan 8.250 nan 0.000 0.442 260 L N 0.789 122.103 121.223 0.152 0.000 2.017 260 L HA -0.143 4.199 4.340 0.003 0.000 0.208 260 L C 1.934 178.798 176.870 -0.009 0.000 1.073 260 L CA 1.525 56.419 54.840 0.089 0.000 0.745 260 L CB -0.323 41.781 42.059 0.075 0.000 0.894 260 L HN -0.102 nan 8.230 nan 0.000 0.432 261 V N 0.153 120.059 119.914 -0.012 0.000 2.407 261 V HA -0.194 3.928 4.120 0.003 0.000 0.248 261 V C 2.586 178.638 176.094 -0.069 0.000 1.055 261 V CA 1.693 63.964 62.300 -0.049 0.000 1.049 261 V CB -1.525 30.279 31.823 -0.031 0.000 0.662 261 V HN 0.646 nan 8.190 nan 0.000 0.455 262 G N -0.524 108.270 108.800 -0.009 0.000 2.402 262 G HA2 -0.287 3.675 3.960 0.003 0.000 0.216 262 G HA3 -0.287 3.675 3.960 0.003 0.000 0.216 262 G C 1.640 176.217 174.900 -0.538 0.000 1.162 262 G CA 0.982 46.063 45.100 -0.032 0.000 0.777 262 G HN 0.493 nan 8.290 nan 0.000 0.539 263 K N -0.118 119.942 120.400 -0.566 0.000 2.097 263 K HA 0.120 4.442 4.320 0.003 0.000 0.205 263 K C 2.454 178.823 176.600 -0.385 0.000 1.050 263 K CA 0.617 56.337 56.287 -0.944 0.000 0.938 263 K CB -0.220 32.020 32.500 -0.432 0.000 0.718 263 K HN 0.319 nan 8.250 nan 0.000 0.442 264 L N 0.799 121.880 121.223 -0.235 0.000 2.093 264 L HA -0.152 4.190 4.340 0.003 0.000 0.208 264 L C 2.259 179.014 176.870 -0.192 0.000 1.085 264 L CA 1.109 55.846 54.840 -0.171 0.000 0.755 264 L CB -0.489 41.487 42.059 -0.137 0.000 0.904 264 L HN 0.311 nan 8.230 nan 0.000 0.435 265 N N -0.230 118.350 118.700 -0.200 0.000 2.120 265 N HA -0.276 4.466 4.740 0.003 0.000 0.188 265 N C 1.693 177.086 175.510 -0.194 0.000 1.024 265 N CA 1.466 54.414 53.050 -0.171 0.000 0.852 265 N CB -0.272 38.139 38.487 -0.126 0.000 1.003 265 N HN 0.389 nan 8.380 nan 0.000 0.424 266 W N 1.125 122.132 121.300 -0.488 0.000 2.355 266 W HA 0.032 4.694 4.660 0.003 0.000 0.309 266 W C 2.159 178.499 176.519 -0.298 0.000 1.206 266 W CA 2.083 59.161 57.345 -0.444 0.000 1.284 266 W CB -0.768 28.221 29.460 -0.785 0.000 1.145 266 W HN 0.117 nan 8.180 nan 0.000 0.502 267 A N 0.452 122.977 122.820 -0.493 0.000 1.972 267 A HA -0.203 4.119 4.320 0.003 0.000 0.219 267 A C 2.084 179.442 177.584 -0.377 0.000 1.169 267 A CA 2.335 54.004 52.037 -0.613 0.000 0.635 267 A CB -1.534 17.291 19.000 -0.293 0.000 0.810 267 A HN 0.459 nan 8.150 nan 0.000 0.446 268 S N -0.585 114.935 115.700 -0.300 0.000 2.537 268 S HA -0.176 4.295 4.470 0.003 0.000 0.240 268 S C 1.583 176.002 174.600 -0.301 0.000 0.981 268 S CA 1.254 59.318 58.200 -0.226 0.000 0.948 268 S CB -0.414 62.675 63.200 -0.185 0.000 0.759 268 S HN 0.712 nan 8.310 nan 0.000 0.531 269 Q N -0.100 119.415 119.800 -0.476 0.000 2.389 269 Q HA 0.304 4.646 4.340 0.003 0.000 0.204 269 Q C 1.627 177.266 176.000 -0.602 0.000 0.944 269 Q CA 0.758 56.159 55.803 -0.671 0.000 0.908 269 Q CB -0.047 28.019 28.738 -1.120 0.000 1.002 269 Q HN 0.659 nan 8.270 nan 0.000 0.493 270 I N -1.590 118.708 120.570 -0.454 0.000 3.616 270 I HA -0.004 4.167 4.170 0.003 0.000 0.296 270 I C -0.317 175.541 176.117 -0.432 0.000 1.226 270 I CA 0.285 61.359 61.300 -0.376 0.000 1.394 270 I CB 0.705 38.484 38.000 -0.369 0.000 1.171 270 I HN -0.008 nan 8.210 nan 0.000 0.442 271 Y N 0.777 120.934 120.300 -0.238 0.000 2.426 271 Y HA 0.338 4.889 4.550 0.003 0.000 0.325 271 Y C -2.047 173.748 175.900 -0.175 0.000 0.989 271 Y CA -2.380 55.618 58.100 -0.170 0.000 1.284 271 Y CB 0.559 38.929 38.460 -0.151 0.000 1.104 271 Y HN -0.139 nan 8.280 nan 0.000 0.481 272 P HA -0.106 nan 4.420 nan 0.000 0.226 272 P C 1.455 178.718 177.300 -0.060 0.000 1.146 272 P CA 1.294 64.346 63.100 -0.079 0.000 0.773 272 P CB 0.387 32.029 31.700 -0.096 0.000 0.772 273 G N -1.086 107.696 108.800 -0.029 0.000 2.920 273 G HA2 -0.008 3.953 3.960 0.003 0.000 0.208 273 G HA3 -0.008 3.953 3.960 0.003 0.000 0.208 273 G C 0.516 175.380 174.900 -0.060 0.000 1.159 273 G CA -0.105 44.969 45.100 -0.042 0.000 0.784 273 G HN 0.145 nan 8.290 nan 0.000 0.535 274 I N 1.369 121.896 120.570 -0.070 0.000 2.556 274 I HA 0.246 4.417 4.170 0.003 0.000 0.284 274 I C -0.176 175.884 176.117 -0.095 0.000 1.114 274 I CA 0.016 61.257 61.300 -0.098 0.000 1.418 274 I CB 0.953 38.880 38.000 -0.121 0.000 1.394 274 I HN -0.083 nan 8.210 nan 0.000 0.552 275 K N 5.730 126.074 120.400 -0.094 0.000 2.324 275 K HA 0.459 4.780 4.320 0.003 0.000 0.253 275 K C 0.357 176.901 176.600 -0.093 0.000 0.932 275 K CA -0.468 55.767 56.287 -0.087 0.000 0.799 275 K CB 2.940 35.394 32.500 -0.076 0.000 1.154 275 K HN 0.445 nan 8.250 nan 0.000 0.425 276 V N -1.021 118.840 119.914 -0.088 0.000 3.451 276 V HA 0.195 4.317 4.120 0.003 0.000 0.288 276 V C 1.816 177.862 176.094 -0.080 0.000 1.502 276 V CA -0.054 62.191 62.300 -0.091 0.000 1.026 276 V CB 0.263 32.033 31.823 -0.089 0.000 0.840 276 V HN 0.699 nan 8.190 nan 0.000 0.437 277 R N 0.657 121.115 120.500 -0.070 0.000 2.133 277 R HA -0.232 4.109 4.340 0.003 0.000 0.245 277 R C 2.345 178.608 176.300 -0.062 0.000 1.137 277 R CA 2.800 58.865 56.100 -0.060 0.000 0.947 277 R CB -0.211 30.057 30.300 -0.053 0.000 0.865 277 R HN 0.591 nan 8.270 nan 0.000 0.437 278 Q N 0.049 119.807 119.800 -0.070 0.000 2.167 278 Q HA -0.108 4.234 4.340 0.003 0.000 0.202 278 Q C 2.268 178.214 176.000 -0.090 0.000 0.970 278 Q CA 1.064 56.822 55.803 -0.074 0.000 0.855 278 Q CB -0.119 28.573 28.738 -0.077 0.000 0.911 278 Q HN 0.424 nan 8.270 nan 0.000 0.438 279 L N 0.105 121.264 121.223 -0.107 0.000 2.072 279 L HA -0.095 4.247 4.340 0.003 0.000 0.205 279 L C 2.341 179.153 176.870 -0.096 0.000 1.079 279 L CA 0.832 55.594 54.840 -0.131 0.000 0.752 279 L CB -0.263 41.701 42.059 -0.158 0.000 0.906 279 L HN 0.047 nan 8.230 nan 0.000 0.436 280 S N -0.446 115.210 115.700 -0.074 0.000 2.423 280 S HA -0.200 4.271 4.470 0.003 0.000 0.231 280 S C 1.880 176.454 174.600 -0.044 0.000 1.014 280 S CA 1.054 59.224 58.200 -0.051 0.000 0.965 280 S CB -0.165 63.009 63.200 -0.043 0.000 0.785 280 S HN 0.306 nan 8.310 nan 0.000 0.495 281 K N 1.078 121.448 120.400 -0.050 0.000 2.442 281 K HA 0.086 4.408 4.320 0.003 0.000 0.198 281 K C 1.436 178.012 176.600 -0.040 0.000 1.042 281 K CA 0.555 56.817 56.287 -0.041 0.000 0.958 281 K CB -0.096 32.377 32.500 -0.044 0.000 0.766 281 K HN 0.329 nan 8.250 nan 0.000 0.474 282 L N 0.497 121.690 121.223 -0.050 0.000 2.341 282 L HA 0.004 4.345 4.340 0.003 0.000 0.214 282 L C 1.393 178.248 176.870 -0.025 0.000 1.115 282 L CA 0.352 55.165 54.840 -0.045 0.000 0.820 282 L CB 0.084 42.101 42.059 -0.071 0.000 0.944 282 L HN 0.154 nan 8.230 nan 0.000 0.452 283 L N -0.415 120.795 121.223 -0.022 0.000 2.629 283 L HA 0.111 4.453 4.340 0.003 0.000 0.230 283 L C 0.614 177.480 176.870 -0.005 0.000 1.151 283 L CA -0.167 54.668 54.840 -0.007 0.000 0.924 283 L CB -0.374 41.683 42.059 -0.004 0.000 1.137 283 L HN 0.091 nan 8.230 nan 0.000 0.457 284 R N 1.728 122.222 120.500 -0.010 0.000 2.483 284 R HA 0.327 4.669 4.340 0.003 0.000 0.329 284 R C 0.649 176.947 176.300 -0.003 0.000 0.961 284 R CA 0.688 56.783 56.100 -0.008 0.000 1.041 284 R CB -0.006 30.287 30.300 -0.012 0.000 0.930 284 R HN 0.365 nan 8.270 nan 0.000 0.413 285 G N 1.122 109.921 108.800 -0.001 0.000 2.331 285 G HA2 -0.167 3.795 3.960 0.003 0.000 0.479 285 G HA3 -0.167 3.795 3.960 0.003 0.000 0.479 285 G C -0.729 174.174 174.900 0.004 0.000 1.262 285 G CA -0.400 44.701 45.100 0.002 0.000 1.029 285 G HN 0.512 nan 8.290 nan 0.000 0.487 286 T N -1.127 113.430 114.554 0.006 0.000 3.241 286 T HA 0.672 5.023 4.350 0.003 0.000 0.387 286 T C -0.145 174.561 174.700 0.010 0.000 1.451 286 T CA -0.427 61.677 62.100 0.008 0.000 1.363 286 T CB 0.670 69.543 68.868 0.007 0.000 1.074 286 T HN 0.650 nan 8.240 nan 0.000 0.598 287 K N 1.693 122.101 120.400 0.012 0.000 2.087 287 K HA 0.734 5.056 4.320 0.003 0.000 0.255 287 K C 0.557 177.167 176.600 0.017 0.000 0.988 287 K CA -0.926 55.370 56.287 0.015 0.000 0.915 287 K CB 1.328 33.838 32.500 0.017 0.000 1.043 287 K HN 0.682 nan 8.250 nan 0.000 0.457 288 A N 2.088 124.918 122.820 0.017 0.000 2.498 288 A HA 0.044 4.365 4.320 0.003 0.000 0.239 288 A C 1.273 178.871 177.584 0.022 0.000 1.068 288 A CA -0.127 51.920 52.037 0.017 0.000 0.766 288 A CB -0.098 18.911 19.000 0.015 0.000 1.003 288 A HN 0.814 nan 8.150 nan 0.000 0.497 289 L N 1.660 122.896 121.223 0.022 0.000 2.131 289 L HA -0.161 4.181 4.340 0.003 0.000 0.210 289 L C 2.566 179.454 176.870 0.030 0.000 1.092 289 L CA 2.002 56.859 54.840 0.028 0.000 0.759 289 L CB -0.616 41.457 42.059 0.024 0.000 0.903 289 L HN 0.999 nan 8.230 nan 0.000 0.435 290 T N -3.919 110.649 114.554 0.024 0.000 3.129 290 T HA -0.033 4.319 4.350 0.003 0.000 0.251 290 T C 0.686 175.402 174.700 0.026 0.000 1.117 290 T CA -0.309 61.804 62.100 0.022 0.000 1.034 290 T CB -0.134 68.742 68.868 0.013 0.000 0.968 290 T HN 0.284 nan 8.240 nan 0.000 0.526 291 E N 1.645 121.862 120.200 0.029 0.000 2.376 291 E HA 0.247 4.598 4.350 0.003 0.000 0.266 291 E C -0.718 175.908 176.600 0.044 0.000 1.009 291 E CA -0.506 55.912 56.400 0.031 0.000 0.902 291 E CB 0.723 30.440 29.700 0.027 0.000 0.972 291 E HN 0.096 nan 8.360 nan 0.000 0.439 292 V N 6.749 126.689 119.914 0.044 0.000 2.508 292 V HA 0.144 4.266 4.120 0.003 0.000 0.281 292 V C 0.375 176.509 176.094 0.067 0.000 1.041 292 V CA 0.089 62.426 62.300 0.062 0.000 1.016 292 V CB 0.542 32.394 31.823 0.049 0.000 0.984 292 V HN 0.610 nan 8.190 nan 0.000 0.478 293 I N 7.390 128.017 120.570 0.095 0.000 2.389 293 I HA 0.377 4.548 4.170 0.003 0.000 0.288 293 I C -2.341 173.828 176.117 0.086 0.000 0.999 293 I CA -1.969 59.376 61.300 0.074 0.000 1.129 293 I CB 2.211 40.245 38.000 0.057 0.000 1.288 293 I HN 0.447 nan 8.210 nan 0.000 0.444 294 P HA 0.217 nan 4.420 nan 0.000 0.271 294 P C -0.758 176.551 177.300 0.016 0.000 1.216 294 P CA -0.211 62.921 63.100 0.053 0.000 0.776 294 P CB 0.573 32.294 31.700 0.034 0.000 0.881 295 L N 2.574 123.802 121.223 0.008 0.000 2.305 295 L HA 0.279 4.621 4.340 0.003 0.000 0.281 295 L C 1.213 178.056 176.870 -0.045 0.000 1.085 295 L CA -0.463 54.338 54.840 -0.065 0.000 0.813 295 L CB 0.704 42.692 42.059 -0.118 0.000 1.157 295 L HN 0.451 nan 8.230 nan 0.000 0.436 296 T N -1.665 112.853 114.554 -0.061 0.000 2.828 296 T HA 0.120 4.472 4.350 0.003 0.000 0.290 296 T C 1.003 175.674 174.700 -0.048 0.000 1.019 296 T CA -0.806 61.267 62.100 -0.045 0.000 1.031 296 T CB 1.421 70.261 68.868 -0.046 0.000 1.001 296 T HN 0.516 nan 8.240 nan 0.000 0.531 297 E N 0.828 121.007 120.200 -0.035 0.000 2.110 297 E HA -0.156 4.196 4.350 0.003 0.000 0.193 297 E C 1.990 178.563 176.600 -0.044 0.000 0.988 297 E CA 1.405 57.786 56.400 -0.033 0.000 0.804 297 E CB -0.060 29.626 29.700 -0.024 0.000 0.745 297 E HN 0.800 nan 8.360 nan 0.000 0.458 298 E N 0.811 120.983 120.200 -0.047 0.000 2.031 298 E HA -0.156 4.196 4.350 0.003 0.000 0.193 298 E C 2.133 178.690 176.600 -0.072 0.000 0.994 298 E CA 1.071 57.439 56.400 -0.053 0.000 0.800 298 E CB -0.158 29.512 29.700 -0.050 0.000 0.752 298 E HN 0.192 nan 8.360 nan 0.000 0.447 299 A N 1.729 124.496 122.820 -0.088 0.000 1.883 299 A HA -0.242 4.079 4.320 0.003 0.000 0.217 299 A C 2.044 179.546 177.584 -0.137 0.000 1.186 299 A CA 1.397 53.358 52.037 -0.127 0.000 0.624 299 A CB -0.432 18.474 19.000 -0.157 0.000 0.822 299 A HN 0.121 nan 8.150 nan 0.000 0.444 300 E N -0.482 119.651 120.200 -0.112 0.000 2.085 300 E HA -0.222 4.130 4.350 0.003 0.000 0.194 300 E C 2.041 178.598 176.600 -0.072 0.000 0.994 300 E CA 1.583 57.929 56.400 -0.090 0.000 0.801 300 E CB -0.427 29.243 29.700 -0.050 0.000 0.743 300 E HN 0.638 nan 8.360 nan 0.000 0.453 301 L N 1.246 122.431 121.223 -0.063 0.000 1.994 301 L HA -0.150 4.192 4.340 0.003 0.000 0.208 301 L C 2.257 179.088 176.870 -0.065 0.000 1.071 301 L CA 2.156 56.964 54.840 -0.054 0.000 0.745 301 L CB -0.729 41.302 42.059 -0.047 0.000 0.892 301 L HN 0.020 nan 8.230 nan 0.000 0.431 302 E N -0.605 119.547 120.200 -0.079 0.000 2.070 302 E HA -0.292 4.060 4.350 0.003 0.000 0.197 302 E C 2.220 178.761 176.600 -0.097 0.000 1.004 302 E CA 1.820 58.167 56.400 -0.088 0.000 0.805 302 E CB -0.341 29.299 29.700 -0.099 0.000 0.744 302 E HN 0.495 nan 8.360 nan 0.000 0.451 303 L N 0.699 121.852 121.223 -0.116 0.000 2.079 303 L HA -0.142 4.200 4.340 0.003 0.000 0.210 303 L C 2.167 178.993 176.870 -0.073 0.000 1.081 303 L CA 2.207 56.977 54.840 -0.116 0.000 0.752 303 L CB -0.743 41.222 42.059 -0.157 0.000 0.896 303 L HN 0.190 nan 8.230 nan 0.000 0.433 304 A N -0.797 121.987 122.820 -0.059 0.000 1.873 304 A HA -0.260 4.061 4.320 0.003 0.000 0.215 304 A C 2.331 179.886 177.584 -0.048 0.000 1.186 304 A CA 1.683 53.697 52.037 -0.040 0.000 0.616 304 A CB -0.743 18.238 19.000 -0.031 0.000 0.823 304 A HN 0.617 nan 8.150 nan 0.000 0.442 305 E N -0.033 120.133 120.200 -0.057 0.000 2.051 305 E HA -0.237 4.115 4.350 0.003 0.000 0.192 305 E C 1.702 178.255 176.600 -0.078 0.000 0.991 305 E CA 1.436 57.800 56.400 -0.060 0.000 0.799 305 E CB -0.178 29.486 29.700 -0.060 0.000 0.748 305 E HN 0.563 nan 8.360 nan 0.000 0.449 306 N N 0.662 119.307 118.700 -0.091 0.000 2.120 306 N HA -0.174 4.568 4.740 0.003 0.000 0.188 306 N C 1.850 177.283 175.510 -0.128 0.000 1.024 306 N CA 0.942 53.921 53.050 -0.120 0.000 0.852 306 N CB -0.417 37.998 38.487 -0.120 0.000 1.003 306 N HN 0.194 nan 8.380 nan 0.000 0.424 307 R N 1.079 121.526 120.500 -0.088 0.000 2.096 307 R HA -0.083 4.259 4.340 0.003 0.000 0.235 307 R C 1.582 177.836 176.300 -0.078 0.000 1.127 307 R CA 1.047 57.106 56.100 -0.070 0.000 0.968 307 R CB 0.180 30.463 30.300 -0.030 0.000 0.861 307 R HN 0.174 nan 8.270 nan 0.000 0.440 308 E N 0.645 120.802 120.200 -0.070 0.000 2.017 308 E HA -0.196 4.156 4.350 0.003 0.000 0.193 308 E C 2.073 178.622 176.600 -0.085 0.000 0.997 308 E CA 1.274 57.639 56.400 -0.059 0.000 0.804 308 E CB -0.311 29.362 29.700 -0.045 0.000 0.757 308 E HN 0.393 nan 8.360 nan 0.000 0.448 309 I N 1.248 121.748 120.570 -0.117 0.000 2.185 309 I HA -0.315 3.857 4.170 0.003 0.000 0.246 309 I C 2.464 178.389 176.117 -0.319 0.000 1.088 309 I CA 1.078 62.282 61.300 -0.160 0.000 1.347 309 I CB -0.344 37.547 38.000 -0.180 0.000 1.041 309 I HN 0.069 nan 8.210 nan 0.000 0.415 310 L N 0.211 121.199 121.223 -0.391 0.000 2.265 310 L HA -0.194 4.148 4.340 0.003 0.000 0.215 310 L C 2.430 179.175 176.870 -0.208 0.000 1.117 310 L CA 1.213 55.760 54.840 -0.488 0.000 0.782 310 L CB -0.514 41.353 42.059 -0.320 0.000 0.914 310 L HN 0.259 nan 8.230 nan 0.000 0.441 311 K N -0.016 120.323 120.400 -0.102 0.000 2.076 311 K HA -0.023 4.299 4.320 0.003 0.000 0.204 311 K C 0.610 177.228 176.600 0.030 0.000 1.051 311 K CA 0.427 56.703 56.287 -0.018 0.000 0.949 311 K CB 0.043 32.537 32.500 -0.010 0.000 0.726 311 K HN 0.331 nan 8.250 nan 0.000 0.443 312 E N 2.060 122.283 120.200 0.039 0.000 2.418 312 E HA 0.023 4.375 4.350 0.003 0.000 0.261 312 E C -2.288 174.427 176.600 0.190 0.000 1.070 312 E CA -1.530 54.927 56.400 0.096 0.000 0.931 312 E CB 0.335 30.091 29.700 0.094 0.000 0.954 312 E HN 0.082 nan 8.360 nan 0.000 0.439 313 P HA -0.016 nan 4.420 nan 0.000 0.274 313 P C -0.134 177.228 177.300 0.103 0.000 1.237 313 P CA -0.224 62.955 63.100 0.132 0.000 0.793 313 P CB 0.753 32.487 31.700 0.057 0.000 0.977 314 V N 2.665 122.560 119.914 -0.032 0.000 3.032 314 V HA -0.082 4.040 4.120 0.003 0.000 0.307 314 V C 0.824 176.864 176.094 -0.091 0.000 1.097 314 V CA -0.112 62.036 62.300 -0.253 0.000 1.191 314 V CB -0.487 31.161 31.823 -0.292 0.000 0.964 314 V HN 0.618 nan 8.190 nan 0.000 0.494 315 H N 5.342 124.295 119.070 -0.196 0.000 3.226 315 H HA 0.069 4.627 4.556 0.003 0.000 0.260 315 H C 1.226 176.502 175.328 -0.087 0.000 0.967 315 H CA 0.421 56.405 56.048 -0.107 0.000 1.435 315 H CB -0.353 29.353 29.762 -0.094 0.000 1.533 315 H HN 1.182 nan 8.280 nan 0.000 0.525 316 G N 4.967 113.607 108.800 -0.267 0.000 2.451 316 G HA2 -0.274 3.688 3.960 0.003 0.000 0.296 316 G HA3 -0.274 3.688 3.960 0.003 0.000 0.296 316 G C 0.355 175.048 174.900 -0.346 0.000 0.922 316 G CA 0.549 45.454 45.100 -0.324 0.000 1.074 316 G HN 0.522 nan 8.290 nan 0.000 0.509 317 V N -0.022 119.679 119.914 -0.354 0.000 2.637 317 V HA 0.478 4.599 4.120 0.003 0.000 0.296 317 V C 0.219 176.054 176.094 -0.431 0.000 1.046 317 V CA 0.030 62.178 62.300 -0.253 0.000 1.066 317 V CB 0.587 32.322 31.823 -0.146 0.000 0.968 317 V HN 0.317 nan 8.190 nan 0.000 0.483 318 Y N 2.438 122.744 120.300 0.010 0.000 2.524 318 Y HA 0.412 4.964 4.550 0.003 0.000 0.347 318 Y C -0.352 175.599 175.900 0.084 0.000 1.005 318 Y CA -1.117 57.021 58.100 0.062 0.000 1.025 318 Y CB 1.557 40.031 38.460 0.025 0.000 1.275 318 Y HN 0.618 nan 8.280 nan 0.000 0.460 319 Y N 2.755 123.173 120.300 0.197 0.000 2.442 319 Y HA 0.232 4.783 4.550 0.003 0.000 0.330 319 Y C -0.281 175.642 175.900 0.040 0.000 1.129 319 Y CA -0.344 57.791 58.100 0.059 0.000 1.365 319 Y CB 0.543 39.090 38.460 0.146 0.000 1.233 319 Y HN 0.541 nan 8.280 nan 0.000 0.529 320 D N 8.571 128.568 120.400 -0.672 0.000 2.454 320 D HA 0.293 4.935 4.640 0.003 0.000 0.225 320 D C -2.171 173.547 176.300 -0.970 0.000 1.081 320 D CA -2.570 51.072 54.000 -0.597 0.000 0.864 320 D CB 1.793 42.408 40.800 -0.309 0.000 1.040 320 D HN 0.354 nan 8.370 nan 0.000 0.517 321 P HA -0.137 nan 4.420 nan 0.000 0.220 321 P C 0.996 178.149 177.300 -0.245 0.000 1.144 321 P CA 1.005 63.793 63.100 -0.521 0.000 0.800 321 P CB 0.211 31.826 31.700 -0.141 0.000 0.772 322 S N -2.848 112.715 115.700 -0.229 0.000 2.605 322 S HA 0.147 4.619 4.470 0.003 0.000 0.217 322 S C 0.604 175.133 174.600 -0.119 0.000 0.958 322 S CA -0.103 58.022 58.200 -0.125 0.000 0.919 322 S CB -0.467 62.671 63.200 -0.105 0.000 0.780 322 S HN 0.044 nan 8.310 nan 0.000 0.507 323 K N 1.240 121.533 120.400 -0.178 0.000 2.318 323 K HA 0.415 4.737 4.320 0.003 0.000 0.249 323 K C -1.308 175.214 176.600 -0.130 0.000 0.942 323 K CA -0.896 55.307 56.287 -0.140 0.000 0.808 323 K CB 1.054 33.462 32.500 -0.154 0.000 1.189 323 K HN 0.091 nan 8.250 nan 0.000 0.428 324 D N 1.529 121.865 120.400 -0.106 0.000 2.368 324 D HA 0.096 4.738 4.640 0.003 0.000 0.240 324 D C -0.112 176.078 176.300 -0.183 0.000 1.169 324 D CA 0.213 54.142 54.000 -0.119 0.000 0.906 324 D CB 0.655 41.386 40.800 -0.116 0.000 1.187 324 D HN 0.201 nan 8.370 nan 0.000 0.435 325 L N 1.761 122.846 121.223 -0.229 0.000 2.295 325 L HA 0.434 4.776 4.340 0.003 0.000 0.285 325 L C 0.052 176.660 176.870 -0.436 0.000 1.035 325 L CA -0.588 54.033 54.840 -0.365 0.000 0.806 325 L CB 0.975 42.783 42.059 -0.418 0.000 1.214 325 L HN 0.139 nan 8.230 nan 0.000 0.426 326 I N 2.666 122.878 120.570 -0.598 0.000 2.441 326 I HA 0.595 4.766 4.170 0.003 0.000 0.295 326 I C -0.133 175.523 176.117 -0.767 0.000 0.994 326 I CA -0.489 60.390 61.300 -0.702 0.000 1.144 326 I CB 2.043 39.510 38.000 -0.887 0.000 1.314 326 I HN 0.603 nan 8.210 nan 0.000 0.445 327 A N 5.739 128.172 122.820 -0.645 0.000 2.335 327 A HA 0.649 4.971 4.320 0.003 0.000 0.304 327 A C -0.789 176.651 177.584 -0.239 0.000 1.118 327 A CA -0.548 51.184 52.037 -0.509 0.000 0.757 327 A CB 0.873 19.357 19.000 -0.861 0.000 1.188 327 A HN 0.741 nan 8.150 nan 0.000 0.460 328 E N 1.628 121.801 120.200 -0.045 0.000 2.195 328 E HA 0.649 5.001 4.350 0.003 0.000 0.271 328 E C -1.163 175.532 176.600 0.158 0.000 0.923 328 E CA -0.461 55.990 56.400 0.085 0.000 0.790 328 E CB 2.295 32.090 29.700 0.158 0.000 1.155 328 E HN 0.621 nan 8.360 nan 0.000 0.402 329 I N 2.075 122.758 120.570 0.189 0.000 2.545 329 I HA 0.238 4.410 4.170 0.003 0.000 0.292 329 I C -0.911 175.352 176.117 0.244 0.000 1.040 329 I CA -0.887 60.567 61.300 0.257 0.000 1.068 329 I CB 1.990 40.162 38.000 0.287 0.000 1.251 329 I HN 0.338 nan 8.210 nan 0.000 0.424 330 Q N 4.385 124.333 119.800 0.247 0.000 2.356 330 Q HA 0.380 4.722 4.340 0.003 0.000 0.270 330 Q C -0.786 175.266 176.000 0.086 0.000 1.058 330 Q CA -0.805 55.088 55.803 0.151 0.000 0.802 330 Q CB 2.505 31.288 28.738 0.076 0.000 1.303 330 Q HN 0.338 nan 8.270 nan 0.000 0.444 331 K N 2.012 122.350 120.400 -0.103 0.000 2.312 331 K HA 0.098 4.420 4.320 0.003 0.000 0.287 331 K C 0.005 176.347 176.600 -0.430 0.000 1.062 331 K CA -0.015 55.893 56.287 -0.633 0.000 0.934 331 K CB 0.671 32.805 32.500 -0.611 0.000 1.027 331 K HN 0.556 nan 8.250 nan 0.000 0.478 332 Q N 2.408 121.922 119.800 -0.476 0.000 2.384 332 Q HA 0.150 4.492 4.340 0.003 0.000 0.207 332 Q C 0.417 176.262 176.000 -0.257 0.000 0.904 332 Q CA 0.625 56.265 55.803 -0.271 0.000 0.933 332 Q CB 1.017 29.652 28.738 -0.172 0.000 1.077 332 Q HN 0.999 nan 8.270 nan 0.000 0.522 333 G N 1.134 109.721 108.800 -0.356 0.000 2.663 333 G HA2 -0.200 3.762 3.960 0.003 0.000 0.686 333 G HA3 -0.200 3.762 3.960 0.003 0.000 0.686 333 G C -0.564 174.235 174.900 -0.167 0.000 1.246 333 G CA -0.330 44.631 45.100 -0.232 0.000 0.795 333 G HN 0.192 nan 8.290 nan 0.000 0.627 334 Q N -1.337 118.404 119.800 -0.098 0.000 2.475 334 Q HA -0.142 4.200 4.340 0.003 0.000 0.280 334 Q C 1.612 177.605 176.000 -0.011 0.000 1.234 334 Q CA 2.126 57.907 55.803 -0.037 0.000 0.873 334 Q CB -1.641 27.081 28.738 -0.027 0.000 1.256 334 Q HN 2.899 nan 8.270 nan 0.000 0.475 335 G N -0.457 108.329 108.800 -0.024 0.000 2.153 335 G HA2 -0.336 3.625 3.960 0.003 0.000 0.252 335 G HA3 -0.336 3.625 3.960 0.003 0.000 0.252 335 G C -0.024 174.942 174.900 0.109 0.000 0.994 335 G CA 0.752 45.913 45.100 0.100 0.000 0.698 335 G HN 0.422 nan 8.290 nan 0.000 0.521 336 Q N -1.361 118.362 119.800 -0.129 0.000 2.235 336 Q HA 0.639 4.981 4.340 0.003 0.000 0.256 336 Q C -0.761 175.062 176.000 -0.294 0.000 0.951 336 Q CA -0.458 55.331 55.803 -0.023 0.000 0.890 336 Q CB 1.327 30.053 28.738 -0.020 0.000 1.279 336 Q HN 0.367 nan 8.270 nan 0.000 0.444 337 W N 0.567 121.939 121.300 0.120 0.000 2.998 337 W HA 0.368 5.030 4.660 0.004 0.000 0.335 337 W C -0.470 176.090 176.519 0.068 0.000 1.110 337 W CA -0.554 56.862 57.345 0.119 0.000 1.230 337 W CB 1.730 31.308 29.460 0.196 0.000 1.405 337 W HN 0.491 nan 8.180 nan 0.000 0.493 338 T N -0.217 114.471 114.554 0.224 0.000 2.912 338 T HA 0.849 5.201 4.350 0.003 0.000 0.288 338 T C -1.166 173.593 174.700 0.099 0.000 1.030 338 T CA -0.730 61.396 62.100 0.043 0.000 1.020 338 T CB 1.852 70.707 68.868 -0.022 0.000 1.056 338 T HN 0.488 nan 8.240 nan 0.000 0.480 339 Y N -0.755 119.455 120.300 -0.150 0.000 2.597 339 Y HA 0.794 5.345 4.550 0.003 0.000 0.340 339 Y C -1.565 174.217 175.900 -0.197 0.000 1.097 339 Y CA -1.421 56.604 58.100 -0.125 0.000 1.037 339 Y CB 1.448 39.858 38.460 -0.083 0.000 1.305 339 Y HN 0.605 nan 8.280 nan 0.000 0.463 340 Q N 2.509 122.293 119.800 -0.027 0.000 2.359 340 Q HA 0.699 5.041 4.340 0.003 0.000 0.274 340 Q C -1.529 174.511 176.000 0.068 0.000 1.074 340 Q CA -0.588 55.180 55.803 -0.057 0.000 0.810 340 Q CB 3.291 31.985 28.738 -0.074 0.000 1.342 340 Q HN 0.770 nan 8.270 nan 0.000 0.427 341 I N 3.200 123.804 120.570 0.057 0.000 2.436 341 I HA 0.605 4.777 4.170 0.003 0.000 0.289 341 I C -1.126 174.953 176.117 -0.064 0.000 1.010 341 I CA -1.022 60.218 61.300 -0.100 0.000 1.098 341 I CB 0.841 38.809 38.000 -0.054 0.000 1.266 341 I HN 0.674 nan 8.210 nan 0.000 0.434 342 Y N 3.248 123.433 120.300 -0.192 0.000 2.705 342 Y HA 0.491 5.043 4.550 0.003 0.000 0.332 342 Y C -0.302 175.475 175.900 -0.205 0.000 1.221 342 Y CA -0.891 57.103 58.100 -0.178 0.000 1.059 342 Y CB 1.055 39.439 38.460 -0.126 0.000 1.298 342 Y HN 0.447 nan 8.280 nan 0.000 0.459 343 Q N -0.462 119.397 119.800 0.098 0.000 2.477 343 Q HA 0.261 4.603 4.340 0.003 0.000 0.252 343 Q C -0.693 175.398 176.000 0.152 0.000 0.869 343 Q CA 0.132 55.934 55.803 -0.002 0.000 0.969 343 Q CB 1.158 29.843 28.738 -0.089 0.000 1.144 343 Q HN 0.570 nan 8.270 nan 0.000 0.577 344 E N 1.995 122.289 120.200 0.156 0.000 2.199 344 E HA 0.316 4.668 4.350 0.003 0.000 0.269 344 E C -2.554 173.963 176.600 -0.138 0.000 0.899 344 E CA -2.366 54.059 56.400 0.042 0.000 0.772 344 E CB 1.722 31.422 29.700 -0.000 0.000 1.155 344 E HN 0.004 nan 8.360 nan 0.000 0.408 345 P HA -0.026 nan 4.420 nan 0.000 0.264 345 P C -0.144 176.767 177.300 -0.648 0.000 1.183 345 P CA 0.337 62.885 63.100 -0.921 0.000 0.763 345 P CB 0.189 31.336 31.700 -0.923 0.000 0.807 346 F N -0.817 118.939 119.950 -0.323 0.000 2.699 346 F HA -0.187 4.341 4.527 0.003 0.000 0.343 346 F C 0.785 176.476 175.800 -0.182 0.000 0.633 346 F CA 0.688 58.556 58.000 -0.219 0.000 1.365 346 F CB -1.447 37.427 39.000 -0.210 0.000 1.795 346 F HN 0.312 nan 8.300 nan 0.000 0.304 347 K N 1.382 121.745 120.400 -0.062 0.000 2.961 347 K HA 0.284 4.606 4.320 0.003 0.000 0.187 347 K C -0.324 176.284 176.600 0.013 0.000 1.110 347 K CA -0.310 55.959 56.287 -0.029 0.000 0.968 347 K CB 0.266 32.754 32.500 -0.020 0.000 1.287 347 K HN 0.036 nan 8.250 nan 0.000 0.578 348 N N 1.589 120.311 118.700 0.037 0.000 2.492 348 N HA 0.060 4.802 4.740 0.003 0.000 0.262 348 N C 1.265 176.823 175.510 0.080 0.000 1.202 348 N CA 0.082 53.193 53.050 0.101 0.000 0.926 348 N CB 1.101 39.661 38.487 0.121 0.000 1.078 348 N HN 0.251 nan 8.380 nan 0.000 0.454 349 L N 0.967 122.246 121.223 0.094 0.000 2.307 349 L HA 0.162 4.504 4.340 0.003 0.000 0.211 349 L C 0.947 177.963 176.870 0.243 0.000 1.099 349 L CA 0.696 55.629 54.840 0.156 0.000 0.816 349 L CB 0.077 42.200 42.059 0.106 0.000 0.952 349 L HN 0.484 nan 8.230 nan 0.000 0.455 350 K N -0.219 120.298 120.400 0.195 0.000 2.578 350 K HA 0.340 4.661 4.320 0.003 0.000 0.269 350 K C -1.373 175.243 176.600 0.027 0.000 0.941 350 K CA -0.407 55.980 56.287 0.166 0.000 0.847 350 K CB 2.061 34.745 32.500 0.306 0.000 1.397 350 K HN -0.068 nan 8.250 nan 0.000 0.422 351 T N -0.655 113.836 114.554 -0.104 0.000 2.903 351 T HA 0.862 5.214 4.350 0.003 0.000 0.299 351 T C -0.189 174.174 174.700 -0.561 0.000 1.093 351 T CA -0.543 61.341 62.100 -0.360 0.000 1.002 351 T CB 1.956 70.675 68.868 -0.248 0.000 1.127 351 T HN 0.704 nan 8.240 nan 0.000 0.488 352 G N 0.414 108.541 108.800 -1.120 0.000 2.721 352 G HA2 0.709 4.671 3.960 0.003 0.000 0.296 352 G HA3 0.709 4.671 3.960 0.003 0.000 0.296 352 G C -1.994 172.441 174.900 -0.776 0.000 1.383 352 G CA -1.082 43.429 45.100 -0.982 0.000 0.788 352 G HN 0.863 nan 8.290 nan 0.000 0.500 353 K N -0.498 119.661 120.400 -0.401 0.000 2.543 353 K HA 0.526 4.847 4.320 0.003 0.000 0.255 353 K C -1.997 174.602 176.600 -0.002 0.000 0.934 353 K CA -0.785 55.405 56.287 -0.162 0.000 0.810 353 K CB 1.978 34.451 32.500 -0.045 0.000 1.315 353 K HN 0.574 nan 8.250 nan 0.000 0.433 354 Y N 1.048 121.499 120.300 0.251 0.000 2.377 354 Y HA 0.555 5.107 4.550 0.003 0.000 0.339 354 Y C 0.022 176.043 175.900 0.201 0.000 1.011 354 Y CA -1.369 56.866 58.100 0.224 0.000 1.093 354 Y CB 2.379 40.981 38.460 0.236 0.000 1.201 354 Y HN 0.667 nan 8.280 nan 0.000 0.455 355 A N 4.911 127.929 122.820 0.330 0.000 2.690 355 A HA 0.371 4.693 4.320 0.003 0.000 0.342 355 A C -0.318 177.367 177.584 0.169 0.000 1.410 355 A CA -1.020 51.141 52.037 0.206 0.000 0.958 355 A CB -0.312 18.779 19.000 0.151 0.000 1.153 355 A HN 0.715 nan 8.150 nan 0.000 0.497 356 R N 2.285 122.903 120.500 0.197 0.000 2.705 356 R HA -0.109 4.232 4.340 0.003 0.000 0.264 356 R C 1.063 177.391 176.300 0.047 0.000 0.988 356 R CA 0.020 56.190 56.100 0.116 0.000 1.103 356 R CB -0.313 30.089 30.300 0.170 0.000 0.950 356 R HN 0.693 nan 8.270 nan 0.000 0.427 357 M N -0.238 119.350 119.600 -0.020 0.000 2.260 357 M HA -0.120 4.362 4.480 0.003 0.000 0.261 357 M C -0.442 175.894 176.300 0.060 0.000 1.066 357 M CA 1.844 57.147 55.300 0.006 0.000 1.082 357 M CB 0.033 32.620 32.600 -0.021 0.000 1.388 357 M HN 0.627 nan 8.290 nan 0.000 0.419 358 R N -1.510 119.039 120.500 0.082 0.000 2.548 358 R HA 0.374 4.716 4.340 0.003 0.000 0.280 358 R C 0.537 176.921 176.300 0.140 0.000 1.061 358 R CA 0.195 56.380 56.100 0.142 0.000 0.915 358 R CB 1.575 32.033 30.300 0.263 0.000 1.210 358 R HN 0.132 nan 8.270 nan 0.000 0.442 359 G N 0.692 109.555 108.800 0.105 0.000 2.662 359 G HA2 0.015 3.977 3.960 0.003 0.000 0.212 359 G HA3 0.015 3.977 3.960 0.003 0.000 0.212 359 G C 0.717 175.669 174.900 0.088 0.000 1.141 359 G CA 0.598 45.752 45.100 0.089 0.000 0.797 359 G HN 0.572 nan 8.290 nan 0.000 0.531 360 A N -0.120 122.751 122.820 0.085 0.000 2.337 360 A HA 0.379 4.700 4.320 0.003 0.000 0.227 360 A C 0.562 178.188 177.584 0.069 0.000 1.259 360 A CA -0.456 51.616 52.037 0.058 0.000 0.870 360 A CB -0.505 18.514 19.000 0.032 0.000 0.927 360 A HN 0.459 nan 8.150 nan 0.000 0.497 361 H N 0.221 119.299 119.070 0.014 0.000 2.871 361 H HA 0.231 4.789 4.556 0.003 0.000 0.355 361 H C 1.456 176.784 175.328 -0.001 0.000 1.092 361 H CA 1.655 57.706 56.048 0.004 0.000 1.420 361 H CB 0.920 30.694 29.762 0.020 0.000 1.400 361 H HN 0.195 nan 8.280 nan 0.000 0.604 362 T N 0.426 114.898 114.554 -0.137 0.000 3.132 362 T HA 0.118 4.470 4.350 0.003 0.000 0.274 362 T C 0.244 174.943 174.700 -0.001 0.000 1.011 362 T CA -0.639 61.436 62.100 -0.042 0.000 0.899 362 T CB -0.116 68.697 68.868 -0.091 0.000 1.089 362 T HN 0.443 nan 8.240 nan 0.000 0.543 363 N N 1.306 120.101 118.700 0.158 0.000 2.623 363 N HA 0.261 5.003 4.740 0.003 0.000 0.256 363 N C -0.276 175.335 175.510 0.169 0.000 1.045 363 N CA -0.283 52.829 53.050 0.103 0.000 0.863 363 N CB 1.623 40.074 38.487 -0.061 0.000 1.182 363 N HN -0.059 nan 8.380 nan 0.000 0.523 364 D N 1.805 122.294 120.400 0.148 0.000 2.123 364 D HA -0.119 4.523 4.640 0.003 0.000 0.196 364 D C 1.750 178.161 176.300 0.184 0.000 0.992 364 D CA 1.204 55.348 54.000 0.240 0.000 0.833 364 D CB 0.482 41.426 40.800 0.241 0.000 0.954 364 D HN 0.345 nan 8.370 nan 0.000 0.455 365 V N 0.525 120.497 119.914 0.097 0.000 2.427 365 V HA -0.186 3.936 4.120 0.003 0.000 0.248 365 V C 2.360 178.430 176.094 -0.040 0.000 1.051 365 V CA 1.473 63.849 62.300 0.127 0.000 1.048 365 V CB -0.406 31.536 31.823 0.198 0.000 0.666 365 V HN 0.180 nan 8.190 nan 0.000 0.456 366 K N -0.076 120.099 120.400 -0.375 0.000 2.097 366 K HA -0.205 4.117 4.320 0.003 0.000 0.205 366 K C 2.226 178.615 176.600 -0.352 0.000 1.050 366 K CA 1.466 57.340 56.287 -0.688 0.000 0.938 366 K CB -0.093 31.837 32.500 -0.950 0.000 0.718 366 K HN 0.513 nan 8.250 nan 0.000 0.442 367 Q N 0.329 119.936 119.800 -0.322 0.000 2.050 367 Q HA -0.172 4.170 4.340 0.003 0.000 0.202 367 Q C 2.153 177.787 176.000 -0.610 0.000 0.980 367 Q CA 1.398 56.951 55.803 -0.418 0.000 0.840 367 Q CB -0.143 28.481 28.738 -0.191 0.000 0.898 367 Q HN 0.255 nan 8.270 nan 0.000 0.424 368 L N 0.500 121.376 121.223 -0.579 0.000 2.046 368 L HA -0.163 4.179 4.340 0.003 0.000 0.208 368 L C 2.072 178.848 176.870 -0.157 0.000 1.077 368 L CA 1.983 56.468 54.840 -0.591 0.000 0.747 368 L CB -0.809 41.128 42.059 -0.204 0.000 0.896 368 L HN 0.132 nan 8.230 nan 0.000 0.432 369 T N -0.484 114.125 114.554 0.090 0.000 2.788 369 T HA -0.170 4.182 4.350 0.003 0.000 0.268 369 T C 1.660 176.391 174.700 0.052 0.000 1.044 369 T CA 1.739 64.005 62.100 0.276 0.000 1.139 369 T CB -0.238 68.823 68.868 0.322 0.000 0.867 369 T HN 0.509 nan 8.240 nan 0.000 0.454 370 E N 1.142 121.263 120.200 -0.131 0.000 2.107 370 E HA 0.018 4.369 4.350 0.003 0.000 0.191 370 E C 2.627 179.070 176.600 -0.263 0.000 0.982 370 E CA 0.844 57.111 56.400 -0.221 0.000 0.809 370 E CB -0.211 29.331 29.700 -0.263 0.000 0.756 370 E HN 0.485 nan 8.360 nan 0.000 0.459 371 A N 1.258 123.890 122.820 -0.314 0.000 1.902 371 A HA -0.141 4.180 4.320 0.003 0.000 0.217 371 A C 2.535 180.061 177.584 -0.098 0.000 1.181 371 A CA 1.125 53.021 52.037 -0.236 0.000 0.623 371 A CB -0.733 18.105 19.000 -0.271 0.000 0.818 371 A HN 0.108 nan 8.150 nan 0.000 0.443 372 V N 0.005 119.838 119.914 -0.134 0.000 2.332 372 V HA -0.343 3.779 4.120 0.003 0.000 0.248 372 V C 2.659 178.748 176.094 -0.008 0.000 1.055 372 V CA 2.381 64.544 62.300 -0.229 0.000 1.038 372 V CB -0.891 30.772 31.823 -0.266 0.000 0.651 372 V HN 0.658 nan 8.190 nan 0.000 0.450 373 Q N -0.437 119.360 119.800 -0.004 0.000 2.079 373 Q HA -0.187 4.155 4.340 0.003 0.000 0.200 373 Q C 2.353 178.450 176.000 0.162 0.000 0.974 373 Q CA 1.385 57.233 55.803 0.076 0.000 0.840 373 Q CB -0.167 28.379 28.738 -0.320 0.000 0.898 373 Q HN 0.618 nan 8.270 nan 0.000 0.430 374 K N 0.527 120.924 120.400 -0.005 0.000 2.026 374 K HA -0.106 4.215 4.320 0.003 0.000 0.208 374 K C 2.027 178.626 176.600 -0.002 0.000 1.048 374 K CA 1.145 57.419 56.287 -0.021 0.000 0.929 374 K CB -0.122 32.216 32.500 -0.269 0.000 0.713 374 K HN 0.171 nan 8.250 nan 0.000 0.439 375 I N 1.086 121.661 120.570 0.007 0.000 2.226 375 I HA -0.267 3.904 4.170 0.003 0.000 0.245 375 I C 2.161 178.308 176.117 0.050 0.000 1.100 375 I CA 1.272 62.530 61.300 -0.069 0.000 1.374 375 I CB -0.530 37.429 38.000 -0.068 0.000 1.057 375 I HN 0.185 nan 8.210 nan 0.000 0.413 376 T N -0.098 114.568 114.554 0.186 0.000 2.746 376 T HA -0.159 4.192 4.350 0.003 0.000 0.267 376 T C 1.925 176.542 174.700 -0.139 0.000 1.039 376 T CA 1.979 64.097 62.100 0.029 0.000 1.142 376 T CB -0.353 68.481 68.868 -0.057 0.000 0.866 376 T HN 0.360 nan 8.240 nan 0.000 0.444 377 T N 1.985 116.572 114.554 0.055 0.000 2.746 377 T HA -0.095 4.256 4.350 0.003 0.000 0.267 377 T C 1.947 176.690 174.700 0.071 0.000 1.039 377 T CA 1.213 63.427 62.100 0.190 0.000 1.142 377 T CB -0.263 68.861 68.868 0.425 0.000 0.866 377 T HN 0.529 nan 8.240 nan 0.000 0.444 378 E N 0.678 120.825 120.200 -0.089 0.000 2.077 378 E HA -0.108 4.244 4.350 0.003 0.000 0.193 378 E C 2.473 178.992 176.600 -0.136 0.000 0.989 378 E CA 1.115 57.335 56.400 -0.300 0.000 0.800 378 E CB -0.165 29.146 29.700 -0.649 0.000 0.746 378 E HN 0.322 nan 8.360 nan 0.000 0.452 379 S N 0.464 116.117 115.700 -0.078 0.000 2.368 379 S HA -0.139 4.333 4.470 0.003 0.000 0.225 379 S C 1.984 176.503 174.600 -0.135 0.000 1.030 379 S CA 0.838 59.067 58.200 0.048 0.000 0.999 379 S CB -0.174 63.076 63.200 0.083 0.000 0.844 379 S HN 0.168 nan 8.310 nan 0.000 0.459 380 I N 1.026 121.427 120.570 -0.282 0.000 2.179 380 I HA -0.147 4.025 4.170 0.003 0.000 0.242 380 I C 2.301 178.200 176.117 -0.365 0.000 1.088 380 I CA 1.081 62.098 61.300 -0.471 0.000 1.357 380 I CB -0.467 37.143 38.000 -0.650 0.000 1.051 380 I HN 0.187 nan 8.210 nan 0.000 0.409 381 V N 1.114 120.878 119.914 -0.250 0.000 2.332 381 V HA -0.278 3.844 4.120 0.003 0.000 0.248 381 V C 2.213 178.215 176.094 -0.153 0.000 1.055 381 V CA 1.959 64.174 62.300 -0.141 0.000 1.038 381 V CB -0.416 31.454 31.823 0.078 0.000 0.651 381 V HN 0.350 nan 8.190 nan 0.000 0.450 382 I N -1.997 118.347 120.570 -0.377 0.000 2.400 382 I HA -0.114 4.057 4.170 0.003 0.000 0.248 382 I C 2.035 177.559 176.117 -0.988 0.000 1.109 382 I CA 1.324 62.169 61.300 -0.759 0.000 1.425 382 I CB -0.192 36.970 38.000 -1.396 0.000 1.094 382 I HN 0.375 nan 8.210 nan 0.000 0.425 383 W N 0.113 121.041 121.300 -0.621 0.000 2.868 383 W HA 0.385 5.047 4.660 0.003 0.000 0.320 383 W C 1.396 177.234 176.519 -1.135 0.000 1.076 383 W CA 0.609 57.384 57.345 -0.950 0.000 1.576 383 W CB -0.054 28.793 29.460 -1.021 0.000 1.030 383 W HN 0.303 nan 8.180 nan 0.000 0.558 384 G N 2.335 110.546 108.800 -0.980 0.000 2.143 384 G HA2 -0.288 3.674 3.960 0.003 0.000 0.249 384 G HA3 -0.288 3.674 3.960 0.003 0.000 0.249 384 G C 0.134 174.887 174.900 -0.244 0.000 0.981 384 G CA 0.828 45.566 45.100 -0.604 0.000 0.665 384 G HN 0.352 nan 8.290 nan 0.000 0.528 385 K N -1.359 118.867 120.400 -0.291 0.000 2.579 385 K HA 0.721 5.043 4.320 0.003 0.000 0.284 385 K C -0.280 176.184 176.600 -0.227 0.000 0.990 385 K CA -0.373 55.796 56.287 -0.196 0.000 0.880 385 K CB 0.902 33.407 32.500 0.008 0.000 1.488 385 K HN 0.543 nan 8.250 nan 0.000 0.425 386 T N -0.590 113.872 114.554 -0.153 0.000 2.909 386 T HA 0.538 4.890 4.350 0.003 0.000 0.286 386 T C -2.148 172.481 174.700 -0.118 0.000 1.002 386 T CA -1.465 60.551 62.100 -0.140 0.000 1.074 386 T CB 1.098 69.923 68.868 -0.072 0.000 0.984 386 T HN 0.501 nan 8.240 nan 0.000 0.495 387 P HA 0.401 nan 4.420 nan 0.000 0.280 387 P C -1.145 175.962 177.300 -0.321 0.000 1.272 387 P CA -0.848 62.042 63.100 -0.349 0.000 0.819 387 P CB 0.933 32.289 31.700 -0.574 0.000 1.122 388 K N 0.939 121.139 120.400 -0.332 0.000 2.234 388 K HA 0.397 4.719 4.320 0.003 0.000 0.277 388 K C -1.141 175.283 176.600 -0.293 0.000 1.038 388 K CA -0.219 55.952 56.287 -0.194 0.000 0.888 388 K CB -0.255 32.145 32.500 -0.167 0.000 1.091 388 K HN 0.145 nan 8.250 nan 0.000 0.467 389 F N 2.963 122.858 119.950 -0.091 0.000 2.385 389 F HA 0.359 4.887 4.527 0.003 0.000 0.336 389 F C 0.506 176.212 175.800 -0.157 0.000 1.100 389 F CA -0.363 57.574 58.000 -0.105 0.000 1.116 389 F CB 1.416 40.374 39.000 -0.070 0.000 1.166 389 F HN 0.289 nan 8.300 nan 0.000 0.511 390 K N 4.884 125.299 120.400 0.025 0.000 2.414 390 K HA 0.422 4.743 4.320 0.003 0.000 0.251 390 K C -1.109 175.480 176.600 -0.017 0.000 1.037 390 K CA -0.323 55.945 56.287 -0.032 0.000 0.980 390 K CB 0.938 33.436 32.500 -0.004 0.000 1.280 390 K HN 0.503 nan 8.250 nan 0.000 0.451 391 L N 4.769 125.903 121.223 -0.150 0.000 2.292 391 L HA 0.301 4.643 4.340 0.003 0.000 0.284 391 L C -1.783 175.087 176.870 0.000 0.000 1.065 391 L CA -1.990 52.752 54.840 -0.163 0.000 0.806 391 L CB 0.803 42.545 42.059 -0.528 0.000 1.175 391 L HN 0.322 nan 8.230 nan 0.000 0.431 392 P HA 0.284 nan 4.420 nan 0.000 0.225 392 P C -0.649 176.740 177.300 0.149 0.000 1.830 392 P CA 0.231 63.406 63.100 0.125 0.000 1.051 392 P CB 0.581 32.374 31.700 0.156 0.000 1.929 393 I N -0.037 120.625 120.570 0.154 0.000 2.882 393 I HA 0.198 4.370 4.170 0.003 0.000 0.298 393 I C -1.230 174.954 176.117 0.112 0.000 1.462 393 I CA -0.852 60.544 61.300 0.160 0.000 1.000 393 I CB 2.506 40.630 38.000 0.207 0.000 1.340 393 I HN -0.160 nan 8.210 nan 0.000 0.462 394 Q N 4.643 124.468 119.800 0.043 0.000 2.332 394 Q HA 0.097 4.438 4.340 0.003 0.000 0.263 394 Q C 0.586 176.400 176.000 -0.311 0.000 0.979 394 Q CA 0.202 55.957 55.803 -0.080 0.000 0.885 394 Q CB 1.447 30.168 28.738 -0.030 0.000 1.218 394 Q HN 0.626 nan 8.270 nan 0.000 0.405 395 K N 2.660 122.646 120.400 -0.690 0.000 2.044 395 K HA -0.255 4.067 4.320 0.003 0.000 0.210 395 K C 0.937 177.260 176.600 -0.461 0.000 1.049 395 K CA 1.968 57.538 56.287 -1.194 0.000 0.927 395 K CB 0.283 32.202 32.500 -0.968 0.000 0.713 395 K HN 0.419 nan 8.250 nan 0.000 0.443 396 E N -0.027 120.020 120.200 -0.255 0.000 2.118 396 E HA -0.134 4.218 4.350 0.003 0.000 0.195 396 E C 1.960 178.485 176.600 -0.125 0.000 0.992 396 E CA 1.914 58.221 56.400 -0.154 0.000 0.804 396 E CB -0.379 29.257 29.700 -0.107 0.000 0.741 396 E HN 0.380 nan 8.360 nan 0.000 0.458 397 T N 0.240 114.770 114.554 -0.040 0.000 2.770 397 T HA -0.141 4.211 4.350 0.003 0.000 0.263 397 T C 1.356 176.154 174.700 0.164 0.000 1.039 397 T CA 1.020 63.175 62.100 0.092 0.000 1.142 397 T CB -0.417 68.570 68.868 0.198 0.000 0.868 397 T HN 0.401 nan 8.240 nan 0.000 0.435 398 W N 2.250 123.525 121.300 -0.043 0.000 2.355 398 W HA -0.114 4.548 4.660 0.003 0.000 0.309 398 W C 1.795 178.351 176.519 0.061 0.000 1.206 398 W CA 1.287 58.644 57.345 0.020 0.000 1.284 398 W CB -0.222 29.210 29.460 -0.046 0.000 1.145 398 W HN 0.372 nan 8.180 nan 0.000 0.502 399 E N -0.486 119.745 120.200 0.053 0.000 2.204 399 E HA -0.169 4.182 4.350 0.003 0.000 0.195 399 E C 2.023 178.394 176.600 -0.383 0.000 0.990 399 E CA 1.849 58.212 56.400 -0.063 0.000 0.821 399 E CB -0.125 29.554 29.700 -0.035 0.000 0.750 399 E HN 0.178 nan 8.360 nan 0.000 0.477 400 T N -0.779 113.493 114.554 -0.469 0.000 2.942 400 T HA -0.091 4.261 4.350 0.003 0.000 0.265 400 T C 1.028 175.159 174.700 -0.948 0.000 1.062 400 T CA 0.938 62.556 62.100 -0.803 0.000 1.139 400 T CB -0.091 68.144 68.868 -1.056 0.000 0.883 400 T HN 0.371 nan 8.240 nan 0.000 0.468 401 W N 0.179 121.287 121.300 -0.320 0.000 2.777 401 W HA 0.238 4.899 4.660 0.002 0.000 0.260 401 W C 2.195 178.385 176.519 -0.548 0.000 1.194 401 W CA -0.995 56.133 57.345 -0.361 0.000 1.447 401 W CB -0.352 29.063 29.460 -0.075 0.000 1.009 401 W HN 0.224 nan 8.180 nan 0.000 0.613 402 W N 2.421 123.379 121.300 -0.570 0.000 2.290 402 W HA -0.329 4.333 4.660 0.003 0.000 0.311 402 W C 1.636 177.894 176.519 -0.434 0.000 1.238 402 W CA 2.549 59.430 57.345 -0.774 0.000 1.255 402 W CB -1.917 26.466 29.460 -1.795 0.000 1.145 402 W HN -0.016 nan 8.180 nan 0.000 0.506 403 T N -1.048 112.659 114.554 -1.410 0.000 2.929 403 T HA -0.196 4.156 4.350 0.003 0.000 0.271 403 T C 1.469 175.933 174.700 -0.394 0.000 1.085 403 T CA 1.588 63.000 62.100 -1.146 0.000 1.125 403 T CB -0.457 67.483 68.868 -1.547 0.000 0.874 403 T HN 0.128 nan 8.240 nan 0.000 0.494 404 E N 0.794 120.688 120.200 -0.511 0.000 2.268 404 E HA -0.027 4.325 4.350 0.003 0.000 0.195 404 E C 0.862 177.167 176.600 -0.492 0.000 0.995 404 E CA 0.951 57.039 56.400 -0.520 0.000 0.836 404 E CB -0.181 29.051 29.700 -0.779 0.000 0.763 404 E HN 0.865 nan 8.360 nan 0.000 0.491 405 Y N -2.135 118.227 120.300 0.103 0.000 2.500 405 Y HA 0.161 4.712 4.550 0.003 0.000 0.246 405 Y C 0.889 176.888 175.900 0.164 0.000 1.146 405 Y CA -0.892 57.269 58.100 0.101 0.000 1.230 405 Y CB 0.316 38.811 38.460 0.058 0.000 1.214 405 Y HN -0.016 nan 8.280 nan 0.000 0.526 406 W N 3.621 125.010 121.300 0.149 0.000 2.253 406 W HA 0.096 4.757 4.660 0.003 0.000 0.322 406 W C 0.039 176.604 176.519 0.077 0.000 1.342 406 W CA 0.619 58.087 57.345 0.205 0.000 1.218 406 W CB 0.925 30.643 29.460 0.429 0.000 1.205 406 W HN 0.303 nan 8.180 nan 0.000 0.551 407 Q N 3.261 122.779 119.800 -0.470 0.000 2.140 407 Q HA 0.200 4.542 4.340 0.003 0.000 0.227 407 Q C 0.386 176.034 176.000 -0.586 0.000 0.798 407 Q CA -0.231 55.327 55.803 -0.409 0.000 0.987 407 Q CB 1.331 29.837 28.738 -0.385 0.000 1.161 407 Q HN 0.373 nan 8.270 nan 0.000 0.480 408 A N 0.842 123.097 122.820 -0.942 0.000 2.271 408 A HA 0.348 4.669 4.320 0.003 0.000 0.288 408 A C 1.084 178.367 177.584 -0.501 0.000 1.094 408 A CA -0.074 51.365 52.037 -0.997 0.000 0.828 408 A CB 0.488 18.372 19.000 -1.860 0.000 1.091 408 A HN 0.221 nan 8.150 nan 0.000 0.493 409 T N -2.077 112.114 114.554 -0.605 0.000 3.081 409 T HA 0.144 4.496 4.350 0.003 0.000 0.250 409 T C 0.448 175.166 174.700 0.031 0.000 1.100 409 T CA -0.002 61.965 62.100 -0.221 0.000 1.038 409 T CB -0.324 68.430 68.868 -0.189 0.000 0.962 409 T HN 0.676 nan 8.240 nan 0.000 0.516 410 W N 0.617 122.152 121.300 0.393 0.000 2.703 410 W HA 0.779 5.440 4.660 0.003 0.000 0.359 410 W C -1.042 175.820 176.519 0.571 0.000 1.168 410 W CA -1.783 55.808 57.345 0.410 0.000 1.177 410 W CB 0.722 30.424 29.460 0.404 0.000 1.434 410 W HN -0.117 nan 8.180 nan 0.000 0.618 411 I N 2.453 123.513 120.570 0.817 0.000 2.586 411 I HA 0.192 4.364 4.170 0.003 0.000 0.288 411 I C -2.210 174.063 176.117 0.260 0.000 1.147 411 I CA -2.051 59.547 61.300 0.498 0.000 1.047 411 I CB 2.310 40.392 38.000 0.137 0.000 1.244 411 I HN -0.023 nan 8.210 nan 0.000 0.429 412 P HA 0.318 nan 4.420 nan 0.000 0.279 412 P C -0.935 176.190 177.300 -0.291 0.000 1.276 412 P CA -0.390 62.777 63.100 0.112 0.000 0.801 412 P CB 1.088 33.031 31.700 0.404 0.000 1.127 413 E N -0.329 119.756 120.200 -0.191 0.000 2.283 413 E HA 0.401 4.753 4.350 0.003 0.000 0.271 413 E C -0.534 175.946 176.600 -0.201 0.000 1.031 413 E CA 0.079 56.241 56.400 -0.398 0.000 0.868 413 E CB 0.614 30.193 29.700 -0.202 0.000 1.094 413 E HN 0.509 nan 8.360 nan 0.000 0.401 414 W N -0.206 121.007 121.300 -0.146 0.000 3.137 414 W HA 0.523 5.185 4.660 0.003 0.000 0.324 414 W C -0.805 175.417 176.519 -0.496 0.000 1.253 414 W CA -0.948 56.212 57.345 -0.309 0.000 1.183 414 W CB 0.163 29.316 29.460 -0.512 0.000 1.424 414 W HN 0.459 nan 8.180 nan 0.000 0.566 415 E N 0.373 120.382 120.200 -0.318 0.000 2.433 415 E HA 0.769 5.121 4.350 0.003 0.000 0.273 415 E C -1.749 174.384 176.600 -0.778 0.000 0.950 415 E CA -1.143 54.979 56.400 -0.464 0.000 0.796 415 E CB 2.560 32.171 29.700 -0.148 0.000 1.330 415 E HN 0.289 nan 8.360 nan 0.000 0.455 416 F N 0.225 120.180 119.950 0.007 0.000 2.495 416 F HA 0.388 4.917 4.527 0.003 0.000 0.327 416 F C -0.276 175.525 175.800 0.001 0.000 1.103 416 F CA -1.204 56.776 58.000 -0.033 0.000 0.949 416 F CB 1.997 40.975 39.000 -0.036 0.000 1.142 416 F HN 0.146 nan 8.300 nan 0.000 0.457 417 V N 2.890 122.895 119.914 0.151 0.000 2.385 417 V HA 0.176 4.298 4.120 0.003 0.000 0.269 417 V C -0.061 176.102 176.094 0.115 0.000 1.043 417 V CA -0.404 61.961 62.300 0.109 0.000 0.906 417 V CB 0.978 32.850 31.823 0.082 0.000 0.995 417 V HN 0.819 nan 8.190 nan 0.000 0.467 418 N N 1.975 120.733 118.700 0.097 0.000 2.205 418 N HA 0.099 4.841 4.740 0.003 0.000 0.201 418 N C -0.048 175.496 175.510 0.056 0.000 1.128 418 N CA -0.040 53.057 53.050 0.077 0.000 0.867 418 N CB 0.756 39.287 38.487 0.074 0.000 0.996 418 N HN 0.597 nan 8.380 nan 0.000 0.503 419 T N 2.708 117.294 114.554 0.054 0.000 2.791 419 T HA 0.287 4.639 4.350 0.003 0.000 0.288 419 T C -2.612 172.108 174.700 0.033 0.000 0.999 419 T CA -1.398 60.726 62.100 0.040 0.000 0.952 419 T CB 1.735 70.628 68.868 0.042 0.000 0.938 419 T HN -0.032 nan 8.240 nan 0.000 0.444 420 P HA 0.144 nan 4.420 nan 0.000 0.260 420 P C -2.464 174.830 177.300 -0.010 0.000 1.185 420 P CA -0.867 62.233 63.100 -0.000 0.000 0.763 420 P CB -0.219 31.471 31.700 -0.017 0.000 0.776 421 P HA 0.245 nan 4.420 nan 0.000 0.284 421 P C 0.911 178.153 177.300 -0.098 0.000 1.253 421 P CA -0.538 62.553 63.100 -0.015 0.000 0.800 421 P CB 1.686 33.402 31.700 0.027 0.000 0.961 422 L N 2.459 123.606 121.223 -0.126 0.000 2.109 422 L HA -0.097 4.245 4.340 0.003 0.000 0.207 422 L C 2.297 178.827 176.870 -0.567 0.000 1.086 422 L CA 1.040 55.682 54.840 -0.329 0.000 0.760 422 L CB -0.463 41.440 42.059 -0.259 0.000 0.910 422 L HN 0.287 nan 8.230 nan 0.000 0.437 423 V N -2.091 117.648 119.914 -0.292 0.000 3.284 423 V HA -0.230 3.892 4.120 0.003 0.000 0.273 423 V C 2.177 178.095 176.094 -0.294 0.000 1.178 423 V CA 1.541 63.657 62.300 -0.307 0.000 1.177 423 V CB -1.037 30.765 31.823 -0.035 0.000 0.793 423 V HN 0.461 nan 8.190 nan 0.000 0.536 424 K N -0.028 120.200 120.400 -0.286 0.000 2.001 424 K HA -0.132 4.190 4.320 0.003 0.000 0.208 424 K C 1.998 178.457 176.600 -0.236 0.000 1.048 424 K CA 1.891 58.071 56.287 -0.180 0.000 0.932 424 K CB -0.269 32.133 32.500 -0.164 0.000 0.715 424 K HN 0.494 nan 8.250 nan 0.000 0.437 425 L N 0.611 121.582 121.223 -0.421 0.000 2.362 425 L HA -0.074 4.268 4.340 0.003 0.000 0.219 425 L C 1.358 178.072 176.870 -0.259 0.000 1.134 425 L CA 1.182 55.812 54.840 -0.351 0.000 0.807 425 L CB -0.374 41.435 42.059 -0.417 0.000 0.927 425 L HN 0.382 nan 8.230 nan 0.000 0.447 426 W N -1.950 119.136 121.300 -0.357 0.000 3.003 426 W HA 0.047 4.708 4.660 0.002 0.000 0.257 426 W C 0.995 177.186 176.519 -0.546 0.000 1.308 426 W CA -0.127 56.879 57.345 -0.566 0.000 1.529 426 W CB -0.804 27.983 29.460 -1.121 0.000 1.115 426 W HN 0.169 nan 8.180 nan 0.000 0.659 427 Y N 1.633 121.863 120.300 -0.117 0.000 2.833 427 Y HA 0.122 4.674 4.550 0.003 0.000 0.339 427 Y C 1.221 177.112 175.900 -0.014 0.000 1.032 427 Y CA -0.598 57.479 58.100 -0.038 0.000 1.450 427 Y CB -0.007 38.438 38.460 -0.025 0.000 1.296 427 Y HN -0.296 nan 8.280 nan 0.000 0.535 428 Q N 0.000 119.891 119.800 0.151 0.000 2.315 428 Q HA 0.000 4.342 4.340 0.003 0.000 0.214 428 Q CA 0.000 55.857 55.803 0.090 0.000 1.022 428 Q CB 0.000 28.775 28.738 0.062 0.000 1.108 428 Q HN 0.000 nan 8.270 nan 0.000 0.481