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 1ju6_1_B DATA FIRST_RESID 28 DATA SEQUENCE HGELQYLGQI QHILRCGVEK DDRTGTGTLS VFGMQARYSL RDEFPLLTTK DATA SEQUENCE RVFWKGVLEE LLWFIKGSTN AKELSSKGVK IWDANGSRDF LDSLGFSTRE DATA SEQUENCE EGDLGPVYGF QWRHFGAEYR DMESDYSGQG VDQLQRVIDT IKTNPDDRRI DATA SEQUENCE IMCAWNPRDL PLMALPPCHA LCQFYVVNSE LSCQLYQRSG DMGLGVPFNI DATA SEQUENCE ASYALLTYMI AHITGLKPGD FIHTLGDAHI YLNHIEPLKI QLQREPRPFP DATA SEQUENCE KLRILRKVEK IDDFKAEDFQ IEGYNPHPTI KMEMAV 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 28 H HA 0.000 nan 4.556 nan 0.000 0.296 28 H C 0.000 175.348 175.328 0.034 0.000 0.993 28 H CA 0.000 56.044 56.048 -0.007 0.000 1.023 28 H CB 0.000 29.737 29.762 -0.041 0.000 1.292 29 G N -0.416 108.751 108.800 0.610 0.000 2.396 29 G HA2 -0.138 3.323 3.960 -0.831 0.000 0.214 29 G HA3 -0.138 3.323 3.960 -0.831 0.000 0.214 29 G C 1.230 176.422 174.900 0.486 0.000 1.166 29 G CA 0.750 46.174 45.100 0.539 0.000 0.793 29 G HN 0.619 nan 8.290 nan 0.000 0.533 30 E N -0.080 120.322 120.200 0.337 0.000 2.401 30 E HA 0.002 3.854 4.350 -0.831 0.000 0.199 30 E C 2.256 178.928 176.600 0.121 0.000 1.023 30 E CA 0.122 56.678 56.400 0.259 0.000 0.859 30 E CB -0.139 29.566 29.700 0.008 0.000 0.780 30 E HN 0.431 nan 8.360 nan 0.000 0.523 31 L N 0.138 121.331 121.223 -0.051 0.000 2.217 31 L HA -0.165 3.677 4.340 -0.831 0.000 0.211 31 L C 2.457 179.350 176.870 0.038 0.000 1.107 31 L CA 0.873 55.687 54.840 -0.042 0.000 0.783 31 L CB -0.228 41.773 42.059 -0.097 0.000 0.919 31 L HN 0.217 nan 8.230 nan 0.000 0.442 32 Q N -0.912 118.940 119.800 0.086 0.000 2.084 32 Q HA -0.268 3.574 4.340 -0.831 0.000 0.202 32 Q C 2.050 178.150 176.000 0.167 0.000 0.978 32 Q CA 2.109 57.948 55.803 0.059 0.000 0.844 32 Q CB -0.252 28.440 28.738 -0.076 0.000 0.898 32 Q HN 0.527 nan 8.270 nan 0.000 0.426 33 Y N 1.147 121.571 120.300 0.206 0.000 2.089 33 Y HA -0.242 3.807 4.550 -0.834 0.000 0.282 33 Y C 1.948 177.919 175.900 0.120 0.000 1.139 33 Y CA 1.357 59.588 58.100 0.219 0.000 1.123 33 Y CB -0.179 38.447 38.460 0.277 0.000 0.980 33 Y HN -0.003 nan 8.280 nan 0.000 0.493 34 L N 0.255 121.413 121.223 -0.107 0.000 2.129 34 L HA -0.254 3.587 4.340 -0.831 0.000 0.212 34 L C 2.688 179.459 176.870 -0.166 0.000 1.087 34 L CA 1.327 56.035 54.840 -0.219 0.000 0.757 34 L CB -1.205 40.817 42.059 -0.062 0.000 0.896 34 L HN 0.505 nan 8.230 nan 0.000 0.434 35 G N -0.881 107.870 108.800 -0.081 0.000 2.404 35 G HA2 -0.232 3.230 3.960 -0.831 0.000 0.215 35 G HA3 -0.232 3.230 3.960 -0.831 0.000 0.215 35 G C 1.484 176.359 174.900 -0.042 0.000 1.174 35 G CA 0.333 45.405 45.100 -0.045 0.000 0.780 35 G HN 0.407 nan 8.290 nan 0.000 0.537 36 Q N -0.228 119.529 119.800 -0.071 0.000 2.124 36 Q HA -0.052 3.789 4.340 -0.831 0.000 0.202 36 Q C 2.601 178.560 176.000 -0.068 0.000 0.977 36 Q CA 0.827 56.593 55.803 -0.063 0.000 0.850 36 Q CB -0.186 28.527 28.738 -0.041 0.000 0.901 36 Q HN 0.372 nan 8.270 nan 0.000 0.429 37 I N 0.951 121.404 120.570 -0.195 0.000 2.208 37 I HA -0.288 3.383 4.170 -0.831 0.000 0.245 37 I C 2.434 178.510 176.117 -0.069 0.000 1.097 37 I CA 1.596 62.790 61.300 -0.176 0.000 1.363 37 I CB -1.048 36.764 38.000 -0.313 0.000 1.051 37 I HN 0.383 nan 8.210 nan 0.000 0.413 38 Q N -0.227 119.537 119.800 -0.060 0.000 2.046 38 Q HA -0.242 3.600 4.340 -0.831 0.000 0.200 38 Q C 2.488 178.495 176.000 0.011 0.000 0.975 38 Q CA 1.314 57.102 55.803 -0.026 0.000 0.836 38 Q CB -0.200 28.520 28.738 -0.030 0.000 0.896 38 Q HN 0.489 nan 8.270 nan 0.000 0.428 39 H N 0.698 119.735 119.070 -0.054 0.000 2.319 39 H HA -0.148 3.912 4.556 -0.826 0.000 0.299 39 H C 1.963 177.275 175.328 -0.028 0.000 1.092 39 H CA 1.910 57.935 56.048 -0.038 0.000 1.302 39 H CB -0.201 29.537 29.762 -0.039 0.000 1.373 39 H HN 0.327 nan 8.280 nan 0.000 0.497 40 I N 0.415 121.099 120.570 0.189 0.000 2.286 40 I HA -0.293 3.378 4.170 -0.831 0.000 0.248 40 I C 2.706 178.845 176.117 0.037 0.000 1.115 40 I CA 0.788 62.164 61.300 0.127 0.000 1.392 40 I CB -0.216 37.830 38.000 0.076 0.000 1.065 40 I HN 0.192 nan 8.210 nan 0.000 0.418 41 L N 0.096 121.325 121.223 0.010 0.000 2.027 41 L HA -0.151 3.691 4.340 -0.831 0.000 0.206 41 L C 2.693 179.544 176.870 -0.032 0.000 1.074 41 L CA 1.408 56.244 54.840 -0.007 0.000 0.745 41 L CB -0.466 41.588 42.059 -0.009 0.000 0.898 41 L HN 0.158 nan 8.230 nan 0.000 0.433 42 R N -1.482 118.977 120.500 -0.067 0.000 2.161 42 R HA 0.030 3.872 4.340 -0.831 0.000 0.213 42 R C 1.671 177.896 176.300 -0.125 0.000 1.055 42 R CA 0.877 56.923 56.100 -0.090 0.000 0.996 42 R CB -0.042 30.196 30.300 -0.102 0.000 0.901 42 R HN 0.384 nan 8.270 nan 0.000 0.456 43 C N -0.634 118.554 119.300 -0.186 0.000 3.559 43 C HA 0.291 4.253 4.460 -0.831 0.000 0.314 43 C C 1.196 176.144 174.990 -0.071 0.000 1.419 43 C CA -0.845 58.058 59.018 -0.192 0.000 1.775 43 C CB 0.151 27.628 27.740 -0.438 0.000 2.430 43 C HN 0.404 nan 8.230 nan 0.000 0.686 44 G N 1.255 110.044 108.800 -0.018 0.000 2.483 44 G HA2 0.454 3.916 3.960 -0.831 0.000 0.248 44 G HA3 0.454 3.916 3.960 -0.831 0.000 0.248 44 G C -0.307 174.606 174.900 0.021 0.000 1.248 44 G CA 0.261 45.384 45.100 0.038 0.000 0.838 44 G HN 0.167 nan 8.290 nan 0.000 0.566 45 V N 1.588 121.520 119.914 0.030 0.000 2.567 45 V HA 0.221 3.843 4.120 -0.831 0.000 0.289 45 V C 0.654 176.758 176.094 0.016 0.000 1.049 45 V CA -0.745 61.565 62.300 0.017 0.000 0.969 45 V CB 1.610 33.442 31.823 0.015 0.000 0.995 45 V HN 0.866 nan 8.190 nan 0.000 0.471 46 E N 3.520 123.726 120.200 0.010 0.000 2.376 46 E HA 0.259 4.111 4.350 -0.831 0.000 0.266 46 E C -0.412 176.191 176.600 0.005 0.000 1.009 46 E CA -0.046 56.360 56.400 0.011 0.000 0.902 46 E CB 0.579 30.286 29.700 0.011 0.000 0.972 46 E HN 0.572 nan 8.360 nan 0.000 0.439 47 K N 3.577 123.978 120.400 0.001 0.000 2.501 47 K HA 0.189 4.011 4.320 -0.831 0.000 0.252 47 K C -1.629 174.966 176.600 -0.008 0.000 0.934 47 K CA -0.875 55.407 56.287 -0.010 0.000 0.797 47 K CB 1.185 33.672 32.500 -0.022 0.000 1.270 47 K HN 0.452 nan 8.250 nan 0.000 0.431 48 D N 2.103 122.500 120.400 -0.005 0.000 2.313 48 D HA 0.142 4.283 4.640 -0.831 0.000 0.247 48 D C -0.337 175.962 176.300 -0.000 0.000 1.094 48 D CA 0.080 54.084 54.000 0.006 0.000 0.925 48 D CB 0.938 41.741 40.800 0.006 0.000 1.188 48 D HN 0.457 nan 8.370 nan 0.000 0.430 49 D N -0.786 119.628 120.400 0.023 0.000 2.531 49 D HA 0.161 4.303 4.640 -0.831 0.000 0.244 49 D C 0.680 177.007 176.300 0.044 0.000 1.090 49 D CA -0.900 53.117 54.000 0.027 0.000 0.989 49 D CB 1.263 42.101 40.800 0.063 0.000 1.433 49 D HN 0.468 nan 8.370 nan 0.000 0.492 50 R N -0.737 119.795 120.500 0.053 0.000 2.200 50 R HA -0.136 3.706 4.340 -0.831 0.000 0.234 50 R C 1.445 177.781 176.300 0.059 0.000 1.127 50 R CA 2.128 58.262 56.100 0.056 0.000 0.989 50 R CB -0.914 29.430 30.300 0.074 0.000 0.869 50 R HN 0.521 nan 8.270 nan 0.000 0.459 51 T N -3.945 110.645 114.554 0.061 0.000 3.113 51 T HA 0.256 4.108 4.350 -0.831 0.000 0.256 51 T C 1.503 176.202 174.700 -0.003 0.000 1.131 51 T CA 0.444 62.558 62.100 0.022 0.000 1.074 51 T CB 0.350 69.182 68.868 -0.059 0.000 0.944 51 T HN 0.546 nan 8.240 nan 0.000 0.516 52 G N 0.726 109.534 108.800 0.013 0.000 2.268 52 G HA2 -0.268 3.193 3.960 -0.831 0.000 0.240 52 G HA3 -0.268 3.193 3.960 -0.831 0.000 0.240 52 G C 0.386 175.288 174.900 0.003 0.000 1.010 52 G CA 0.215 45.318 45.100 0.005 0.000 0.618 52 G HN 0.762 nan 8.290 nan 0.000 0.516 53 T N 0.941 115.490 114.554 -0.010 0.000 2.726 53 T HA 0.534 4.386 4.350 -0.831 0.000 0.294 53 T C 1.089 175.837 174.700 0.082 0.000 1.013 53 T CA 0.342 62.445 62.100 0.004 0.000 0.996 53 T CB 1.311 70.127 68.868 -0.086 0.000 1.016 53 T HN 1.128 nan 8.240 nan 0.000 0.529 54 G N -0.464 108.396 108.800 0.099 0.000 2.488 54 G HA2 0.579 4.041 3.960 -0.831 0.000 0.318 54 G HA3 0.579 4.041 3.960 -0.831 0.000 0.318 54 G C -0.805 174.178 174.900 0.138 0.000 1.188 54 G CA -0.373 44.782 45.100 0.093 0.000 0.944 54 G HN 0.681 nan 8.290 nan 0.000 0.495 55 T N -0.397 114.195 114.554 0.064 0.000 2.894 55 T HA 0.500 4.352 4.350 -0.831 0.000 0.309 55 T C -1.011 173.696 174.700 0.012 0.000 1.208 55 T CA -0.348 61.760 62.100 0.013 0.000 1.016 55 T CB 1.368 70.179 68.868 -0.094 0.000 1.192 55 T HN 0.333 nan 8.240 nan 0.000 0.491 56 L N 3.007 124.241 121.223 0.019 0.000 2.349 56 L HA 0.730 4.572 4.340 -0.831 0.000 0.278 56 L C -0.084 176.816 176.870 0.051 0.000 0.996 56 L CA -0.626 54.233 54.840 0.031 0.000 0.825 56 L CB 1.767 43.847 42.059 0.035 0.000 1.243 56 L HN 0.756 nan 8.230 nan 0.000 0.412 57 S N 2.687 118.421 115.700 0.057 0.000 2.599 57 S HA 0.883 4.855 4.470 -0.831 0.000 0.287 57 S C -0.996 173.668 174.600 0.105 0.000 1.105 57 S CA -0.697 57.558 58.200 0.093 0.000 0.899 57 S CB 2.543 65.799 63.200 0.094 0.000 1.100 57 S HN 0.197 nan 8.310 nan 0.000 0.482 58 V N 1.624 121.616 119.914 0.129 0.000 2.962 58 V HA 0.677 4.299 4.120 -0.831 0.000 0.313 58 V C -1.618 174.589 176.094 0.189 0.000 1.099 58 V CA -0.745 61.642 62.300 0.145 0.000 0.971 58 V CB 1.977 33.872 31.823 0.120 0.000 1.028 58 V HN 0.920 nan 8.190 nan 0.000 0.430 59 F N 2.667 122.619 119.950 0.004 0.000 2.445 59 F HA 0.769 4.804 4.527 -0.821 0.000 0.348 59 F C 0.332 176.114 175.800 -0.030 0.000 1.125 59 F CA 0.115 58.110 58.000 -0.009 0.000 0.983 59 F CB 1.292 40.296 39.000 0.006 0.000 1.198 59 F HN 0.830 nan 8.300 nan 0.000 0.436 60 G N 7.153 115.648 108.800 -0.508 0.000 3.251 60 G HA2 0.012 3.473 3.960 -0.831 0.000 0.680 60 G HA3 0.012 3.473 3.960 -0.831 0.000 0.680 60 G C -1.313 173.417 174.900 -0.282 0.000 1.129 60 G CA -0.418 44.408 45.100 -0.458 0.000 0.994 60 G HN 0.697 nan 8.290 nan 0.000 0.450 61 M N 1.111 120.536 119.600 -0.292 0.000 2.683 61 M HA 0.701 4.682 4.480 -0.831 0.000 0.274 61 M C -0.495 175.649 176.300 -0.259 0.000 1.272 61 M CA -0.886 54.261 55.300 -0.255 0.000 0.833 61 M CB 2.870 35.324 32.600 -0.243 0.000 1.708 61 M HN 0.605 nan 8.290 nan 0.000 0.463 62 Q N 0.756 120.425 119.800 -0.218 0.000 2.352 62 Q HA 0.764 4.606 4.340 -0.831 0.000 0.270 62 Q C -2.310 173.584 176.000 -0.177 0.000 1.006 62 Q CA -0.467 55.210 55.803 -0.210 0.000 0.880 62 Q CB 2.964 31.590 28.738 -0.187 0.000 1.392 62 Q HN 0.890 nan 8.270 nan 0.000 0.401 63 A N 3.318 126.037 122.820 -0.169 0.000 2.422 63 A HA 0.715 4.537 4.320 -0.831 0.000 0.302 63 A C -1.494 175.875 177.584 -0.359 0.000 1.041 63 A CA -0.658 51.230 52.037 -0.248 0.000 0.708 63 A CB 1.749 20.641 19.000 -0.180 0.000 1.257 63 A HN 0.696 nan 8.150 nan 0.000 0.414 64 R N 2.232 122.484 120.500 -0.413 0.000 2.246 64 R HA 0.527 4.369 4.340 -0.831 0.000 0.332 64 R C -1.799 174.293 176.300 -0.348 0.000 0.974 64 R CA -0.236 55.685 56.100 -0.299 0.000 0.837 64 R CB 0.444 30.640 30.300 -0.173 0.000 1.145 64 R HN 0.699 nan 8.270 nan 0.000 0.467 65 Y N 1.768 122.103 120.300 0.058 0.000 2.331 65 Y HA 0.214 4.261 4.550 -0.838 0.000 0.338 65 Y C 0.615 176.591 175.900 0.126 0.000 0.992 65 Y CA -0.412 57.766 58.100 0.130 0.000 1.121 65 Y CB 2.066 40.625 38.460 0.165 0.000 1.184 65 Y HN 0.465 nan 8.280 nan 0.000 0.469 66 S N 3.480 119.323 115.700 0.238 0.000 2.523 66 S HA 0.259 4.231 4.470 -0.831 0.000 0.275 66 S C 0.305 175.020 174.600 0.192 0.000 1.281 66 S CA -0.655 57.656 58.200 0.184 0.000 1.050 66 S CB 0.319 63.608 63.200 0.147 0.000 0.937 66 S HN 0.616 nan 8.310 nan 0.000 0.492 67 L N 4.710 126.050 121.223 0.195 0.000 2.667 67 L HA 0.323 4.165 4.340 -0.831 0.000 0.232 67 L C 0.944 177.938 176.870 0.206 0.000 1.138 67 L CA 0.477 55.476 54.840 0.265 0.000 0.921 67 L CB -1.083 41.164 42.059 0.314 0.000 1.180 67 L HN 0.624 nan 8.230 nan 0.000 0.487 68 R N 0.942 121.527 120.500 0.141 0.000 2.291 68 R HA 0.081 3.923 4.340 -0.831 0.000 0.333 68 R C -0.059 176.316 176.300 0.125 0.000 1.082 68 R CA -0.238 55.923 56.100 0.102 0.000 0.948 68 R CB -0.064 30.283 30.300 0.078 0.000 1.009 68 R HN 0.022 nan 8.270 nan 0.000 0.460 69 D N 1.791 122.271 120.400 0.133 0.000 2.837 69 D HA -0.207 3.934 4.640 -0.831 0.000 0.230 69 D C -0.939 175.452 176.300 0.152 0.000 1.152 69 D CA 1.995 56.074 54.000 0.132 0.000 0.736 69 D CB -0.470 40.382 40.800 0.087 0.000 1.084 69 D HN 0.814 nan 8.370 nan 0.000 0.429 70 E N -1.501 118.826 120.200 0.212 0.000 2.401 70 E HA 0.363 4.215 4.350 -0.831 0.000 0.283 70 E C -1.383 175.327 176.600 0.183 0.000 1.053 70 E CA -1.020 55.490 56.400 0.182 0.000 0.842 70 E CB 0.509 30.314 29.700 0.176 0.000 1.222 70 E HN 0.010 nan 8.360 nan 0.000 0.429 71 F N 3.496 123.347 119.950 -0.165 0.000 2.449 71 F HA 0.450 4.480 4.527 -0.829 0.000 0.342 71 F C -2.283 173.109 175.800 -0.681 0.000 1.127 71 F CA -2.603 55.152 58.000 -0.408 0.000 0.975 71 F CB 1.970 40.618 39.000 -0.586 0.000 1.146 71 F HN 0.219 nan 8.300 nan 0.000 0.444 72 P HA 0.047 nan 4.420 nan 0.000 0.252 72 P C -0.872 175.577 177.300 -1.417 0.000 1.694 72 P CA 0.112 61.998 63.100 -2.022 0.000 1.163 72 P CB 0.366 31.319 31.700 -1.245 0.000 1.934 73 L N 4.633 125.309 121.223 -0.912 0.000 2.295 73 L HA 0.265 4.106 4.340 -0.831 0.000 0.281 73 L C 0.177 177.144 176.870 0.161 0.000 1.018 73 L CA -0.940 53.685 54.840 -0.359 0.000 0.841 73 L CB 0.588 42.370 42.059 -0.461 0.000 1.218 73 L HN 0.124 nan 8.230 nan 0.000 0.424 74 L N 3.821 125.195 121.223 0.252 0.000 2.714 74 L HA -0.096 3.745 4.340 -0.831 0.000 0.301 74 L C 1.359 178.527 176.870 0.496 0.000 1.248 74 L CA 1.082 56.185 54.840 0.437 0.000 0.885 74 L CB 0.073 42.249 42.059 0.195 0.000 1.143 74 L HN 0.847 nan 8.230 nan 0.000 0.500 75 T N -4.374 110.428 114.554 0.413 0.000 2.990 75 T HA -0.039 3.812 4.350 -0.831 0.000 0.250 75 T C 1.361 176.231 174.700 0.284 0.000 1.041 75 T CA 0.370 62.667 62.100 0.328 0.000 1.010 75 T CB -0.066 68.941 68.868 0.232 0.000 1.003 75 T HN 0.724 nan 8.240 nan 0.000 0.499 76 T N 0.010 114.736 114.554 0.287 0.000 3.227 76 T HA 0.229 4.081 4.350 -0.831 0.000 0.257 76 T C 0.277 175.099 174.700 0.203 0.000 1.162 76 T CA -0.110 62.142 62.100 0.254 0.000 1.051 76 T CB -0.434 68.519 68.868 0.141 0.000 0.953 76 T HN 0.669 nan 8.240 nan 0.000 0.535 77 K N 0.213 120.746 120.400 0.222 0.000 2.610 77 K HA 0.292 4.113 4.320 -0.831 0.000 0.278 77 K C -1.826 174.885 176.600 0.186 0.000 0.964 77 K CA -0.882 55.511 56.287 0.177 0.000 0.859 77 K CB 1.663 34.261 32.500 0.163 0.000 1.434 77 K HN 0.042 nan 8.250 nan 0.000 0.410 78 R N 3.134 123.719 120.500 0.141 0.000 2.202 78 R HA 0.312 4.153 4.340 -0.831 0.000 0.334 78 R C -0.884 175.576 176.300 0.267 0.000 1.036 78 R CA -0.474 55.723 56.100 0.161 0.000 0.878 78 R CB 0.863 31.199 30.300 0.061 0.000 1.067 78 R HN 0.358 nan 8.270 nan 0.000 0.457 79 V N 6.157 126.307 119.914 0.393 0.000 2.607 79 V HA 0.109 3.730 4.120 -0.831 0.000 0.289 79 V C 0.460 176.807 176.094 0.422 0.000 1.053 79 V CA -0.418 62.094 62.300 0.352 0.000 0.996 79 V CB 1.283 33.252 31.823 0.243 0.000 0.995 79 V HN 0.735 nan 8.190 nan 0.000 0.476 80 F N 4.893 124.994 119.950 0.252 0.000 2.677 80 F HA 0.004 4.033 4.527 -0.830 0.000 0.358 80 F C 1.314 177.155 175.800 0.068 0.000 1.266 80 F CA -0.236 57.894 58.000 0.217 0.000 1.262 80 F CB -0.198 38.997 39.000 0.325 0.000 1.684 80 F HN 0.849 nan 8.300 nan 0.000 0.671 81 W N 4.727 126.027 121.300 0.001 0.000 2.308 81 W HA -0.309 3.851 4.660 -0.833 0.000 0.301 81 W C 1.820 178.100 176.519 -0.398 0.000 1.220 81 W CA 1.861 59.051 57.345 -0.259 0.000 1.240 81 W CB -0.091 29.265 29.460 -0.174 0.000 1.142 81 W HN 0.465 nan 8.180 nan 0.000 0.521 82 K N 0.235 120.373 120.400 -0.437 0.000 1.987 82 K HA -0.183 3.638 4.320 -0.831 0.000 0.216 82 K C 2.331 178.366 176.600 -0.942 0.000 1.051 82 K CA 2.437 58.334 56.287 -0.650 0.000 0.942 82 K CB -1.123 31.216 32.500 -0.268 0.000 0.722 82 K HN 0.159 nan 8.250 nan 0.000 0.444 83 G N 0.528 108.443 108.800 -1.475 0.000 2.475 83 G HA2 -0.241 3.220 3.960 -0.831 0.000 0.220 83 G HA3 -0.241 3.220 3.960 -0.831 0.000 0.220 83 G C 1.481 176.044 174.900 -0.562 0.000 1.125 83 G CA 1.146 45.716 45.100 -0.884 0.000 0.755 83 G HN 0.245 nan 8.290 nan 0.000 0.565 84 V N 0.650 120.026 119.914 -0.897 0.000 2.237 84 V HA -0.127 3.495 4.120 -0.831 0.000 0.245 84 V C 2.672 178.258 176.094 -0.847 0.000 1.046 84 V CA 1.684 63.415 62.300 -0.948 0.000 1.007 84 V CB -0.592 30.589 31.823 -1.070 0.000 0.638 84 V HN 0.388 nan 8.190 nan 0.000 0.445 85 L N -0.309 120.208 121.223 -1.176 0.000 1.989 85 L HA -0.178 3.664 4.340 -0.831 0.000 0.211 85 L C 2.867 179.368 176.870 -0.616 0.000 1.071 85 L CA 1.760 55.971 54.840 -1.049 0.000 0.749 85 L CB -0.417 40.889 42.059 -1.254 0.000 0.890 85 L HN 0.369 nan 8.230 nan 0.000 0.431 86 E N -0.105 119.774 120.200 -0.534 0.000 2.085 86 E HA -0.310 3.542 4.350 -0.831 0.000 0.194 86 E C 1.869 178.301 176.600 -0.278 0.000 0.994 86 E CA 1.522 57.716 56.400 -0.343 0.000 0.801 86 E CB -0.165 29.339 29.700 -0.327 0.000 0.743 86 E HN 0.595 nan 8.360 nan 0.000 0.453 87 E N 0.693 120.695 120.200 -0.329 0.000 2.051 87 E HA -0.152 3.699 4.350 -0.831 0.000 0.192 87 E C 2.354 178.694 176.600 -0.435 0.000 0.991 87 E CA 0.563 56.765 56.400 -0.330 0.000 0.799 87 E CB -0.139 29.413 29.700 -0.247 0.000 0.748 87 E HN 0.172 nan 8.360 nan 0.000 0.449 88 L N 0.459 121.482 121.223 -0.333 0.000 2.013 88 L HA -0.230 3.612 4.340 -0.831 0.000 0.212 88 L C 2.502 179.332 176.870 -0.067 0.000 1.073 88 L CA 0.983 55.730 54.840 -0.155 0.000 0.753 88 L CB -0.247 41.680 42.059 -0.220 0.000 0.890 88 L HN 0.298 nan 8.230 nan 0.000 0.432 89 L N -1.161 119.997 121.223 -0.109 0.000 2.042 89 L HA -0.259 3.583 4.340 -0.831 0.000 0.210 89 L C 2.090 178.995 176.870 0.058 0.000 1.076 89 L CA 1.852 56.688 54.840 -0.007 0.000 0.749 89 L CB -1.212 40.829 42.059 -0.031 0.000 0.893 89 L HN 0.463 nan 8.230 nan 0.000 0.432 90 W N -0.441 120.731 121.300 -0.214 0.000 2.338 90 W HA -0.263 3.899 4.660 -0.831 0.000 0.304 90 W C 2.351 178.792 176.519 -0.130 0.000 1.212 90 W CA 1.350 58.569 57.345 -0.210 0.000 1.264 90 W CB -0.483 28.769 29.460 -0.346 0.000 1.142 90 W HN 0.090 nan 8.180 nan 0.000 0.512 91 F N 0.388 120.203 119.950 -0.226 0.000 2.075 91 F HA -0.177 3.859 4.527 -0.819 0.000 0.297 91 F C 2.416 178.039 175.800 -0.295 0.000 1.113 91 F CA 1.484 59.175 58.000 -0.514 0.000 1.218 91 F CB -1.542 37.047 39.000 -0.684 0.000 0.984 91 F HN -0.184 nan 8.300 nan 0.000 0.472 92 I N 0.540 121.198 120.570 0.147 0.000 2.248 92 I HA -0.329 3.342 4.170 -0.831 0.000 0.248 92 I C 2.083 178.269 176.117 0.115 0.000 1.107 92 I CA 1.730 63.151 61.300 0.202 0.000 1.373 92 I CB -0.576 37.554 38.000 0.216 0.000 1.055 92 I HN 0.179 nan 8.210 nan 0.000 0.418 93 K N 1.400 121.837 120.400 0.062 0.000 2.522 93 K HA 0.180 4.002 4.320 -0.831 0.000 0.194 93 K C 1.148 177.771 176.600 0.037 0.000 1.026 93 K CA 0.684 57.007 56.287 0.061 0.000 1.119 93 K CB -0.127 32.415 32.500 0.071 0.000 0.856 93 K HN 0.272 nan 8.250 nan 0.000 0.513 94 G N 1.315 110.103 108.800 -0.021 0.000 2.249 94 G HA2 -0.330 3.131 3.960 -0.831 0.000 0.273 94 G HA3 -0.330 3.131 3.960 -0.831 0.000 0.273 94 G C -0.050 174.809 174.900 -0.068 0.000 1.036 94 G CA 0.593 45.673 45.100 -0.032 0.000 0.824 94 G HN 0.518 nan 8.290 nan 0.000 0.504 95 S N -0.715 114.817 115.700 -0.280 0.000 2.584 95 S HA 0.649 4.621 4.470 -0.831 0.000 0.273 95 S C 1.314 175.579 174.600 -0.558 0.000 1.311 95 S CA 0.856 58.875 58.200 -0.301 0.000 1.034 95 S CB 0.999 64.046 63.200 -0.255 0.000 0.939 95 S HN 1.215 nan 8.310 nan 0.000 0.513 96 T N 0.879 115.317 114.554 -0.192 0.000 3.339 96 T HA 0.319 4.171 4.350 -0.831 0.000 0.292 96 T C -0.158 174.628 174.700 0.144 0.000 1.012 96 T CA -0.581 61.418 62.100 -0.167 0.000 0.937 96 T CB -0.913 67.881 68.868 -0.123 0.000 1.164 96 T HN 0.605 nan 8.240 nan 0.000 0.509 97 N N 0.468 119.380 118.700 0.353 0.000 2.476 97 N HA 0.547 4.789 4.740 -0.831 0.000 0.257 97 N C 1.451 177.245 175.510 0.473 0.000 0.970 97 N CA -0.213 53.063 53.050 0.377 0.000 0.938 97 N CB 1.183 39.828 38.487 0.263 0.000 1.144 97 N HN 0.206 nan 8.380 nan 0.000 0.500 98 A N 4.223 127.222 122.820 0.298 0.000 1.948 98 A HA -0.197 3.625 4.320 -0.831 0.000 0.220 98 A C 1.931 179.479 177.584 -0.059 0.000 1.177 98 A CA 1.388 53.464 52.037 0.065 0.000 0.636 98 A CB -0.228 18.860 19.000 0.147 0.000 0.815 98 A HN 0.781 nan 8.150 nan 0.000 0.449 99 K N -0.535 119.887 120.400 0.038 0.000 2.097 99 K HA -0.153 3.669 4.320 -0.831 0.000 0.206 99 K C 1.870 178.457 176.600 -0.021 0.000 1.049 99 K CA 1.505 57.797 56.287 0.008 0.000 0.933 99 K CB -0.163 32.364 32.500 0.046 0.000 0.717 99 K HN 0.626 nan 8.250 nan 0.000 0.442 100 E N 0.489 120.710 120.200 0.035 0.000 2.204 100 E HA -0.174 3.678 4.350 -0.831 0.000 0.195 100 E C 1.750 178.267 176.600 -0.139 0.000 0.990 100 E CA 0.626 57.054 56.400 0.047 0.000 0.821 100 E CB 0.103 29.959 29.700 0.259 0.000 0.750 100 E HN 0.097 nan 8.360 nan 0.000 0.477 101 L N -0.256 120.695 121.223 -0.454 0.000 2.168 101 L HA 0.042 3.884 4.340 -0.831 0.000 0.203 101 L C 2.171 178.845 176.870 -0.328 0.000 1.078 101 L CA 1.262 55.720 54.840 -0.637 0.000 0.780 101 L CB -0.306 40.981 42.059 -1.285 0.000 0.939 101 L HN -0.104 nan 8.230 nan 0.000 0.451 102 S N -1.210 114.345 115.700 -0.241 0.000 2.465 102 S HA -0.144 3.828 4.470 -0.831 0.000 0.241 102 S C 1.934 176.487 174.600 -0.079 0.000 1.000 102 S CA 1.389 59.516 58.200 -0.122 0.000 0.964 102 S CB -0.259 62.896 63.200 -0.075 0.000 0.763 102 S HN 0.619 nan 8.310 nan 0.000 0.512 103 S N 0.799 116.449 115.700 -0.083 0.000 2.453 103 S HA 0.109 4.080 4.470 -0.831 0.000 0.231 103 S C 1.497 176.071 174.600 -0.043 0.000 1.005 103 S CA 0.518 58.691 58.200 -0.044 0.000 0.949 103 S CB -0.012 63.172 63.200 -0.028 0.000 0.774 103 S HN 0.382 nan 8.310 nan 0.000 0.510 104 K N 0.599 120.955 120.400 -0.074 0.000 2.404 104 K HA 0.293 4.114 4.320 -0.831 0.000 0.194 104 K C 1.189 177.764 176.600 -0.040 0.000 1.023 104 K CA 0.465 56.714 56.287 -0.065 0.000 1.094 104 K CB -0.073 32.364 32.500 -0.105 0.000 0.841 104 K HN 0.390 nan 8.250 nan 0.000 0.523 105 G N 0.728 109.513 108.800 -0.024 0.000 2.131 105 G HA2 -0.208 3.254 3.960 -0.831 0.000 0.223 105 G HA3 -0.208 3.254 3.960 -0.831 0.000 0.223 105 G C -0.189 174.763 174.900 0.085 0.000 0.990 105 G CA 0.024 45.144 45.100 0.033 0.000 0.671 105 G HN 0.093 nan 8.290 nan 0.000 0.521 106 V N 1.695 121.607 119.914 -0.002 0.000 2.284 106 V HA 0.364 3.985 4.120 -0.831 0.000 0.274 106 V C 0.915 176.991 176.094 -0.030 0.000 1.023 106 V CA -0.742 61.565 62.300 0.011 0.000 0.808 106 V CB 1.367 33.096 31.823 -0.157 0.000 1.035 106 V HN 0.206 nan 8.190 nan 0.000 0.445 107 K N 3.558 123.975 120.400 0.029 0.000 2.444 107 K HA 0.115 3.937 4.320 -0.831 0.000 0.193 107 K C 1.797 178.367 176.600 -0.050 0.000 1.024 107 K CA 0.461 56.735 56.287 -0.021 0.000 1.077 107 K CB -0.010 32.483 32.500 -0.013 0.000 0.833 107 K HN 0.855 nan 8.250 nan 0.000 0.517 108 I N -3.096 117.436 120.570 -0.063 0.000 2.367 108 I HA -0.235 3.437 4.170 -0.831 0.000 0.256 108 I C 1.316 177.254 176.117 -0.299 0.000 1.132 108 I CA 1.595 62.778 61.300 -0.196 0.000 1.397 108 I CB -0.403 37.430 38.000 -0.278 0.000 1.074 108 I HN 0.034 nan 8.210 nan 0.000 0.435 109 W N 1.268 122.471 121.300 -0.162 0.000 3.107 109 W HA 0.134 4.291 4.660 -0.838 0.000 0.293 109 W C 1.920 178.391 176.519 -0.080 0.000 1.239 109 W CA 0.013 57.296 57.345 -0.103 0.000 1.653 109 W CB -0.013 29.379 29.460 -0.114 0.000 1.068 109 W HN 0.054 nan 8.180 nan 0.000 0.615 110 D N 0.790 121.234 120.400 0.072 0.000 2.157 110 D HA -0.283 3.859 4.640 -0.831 0.000 0.191 110 D C 2.216 178.532 176.300 0.025 0.000 1.004 110 D CA 2.209 56.237 54.000 0.047 0.000 0.854 110 D CB -0.972 39.829 40.800 0.003 0.000 0.936 110 D HN 0.116 nan 8.370 nan 0.000 0.446 111 A N 0.871 123.659 122.820 -0.053 0.000 1.903 111 A HA -0.265 3.557 4.320 -0.831 0.000 0.219 111 A C 1.857 179.327 177.584 -0.191 0.000 1.191 111 A CA 2.113 54.073 52.037 -0.128 0.000 0.638 111 A CB -0.924 17.950 19.000 -0.211 0.000 0.823 111 A HN 0.282 nan 8.150 nan 0.000 0.451 112 N N -0.580 118.014 118.700 -0.176 0.000 2.521 112 N HA 0.168 4.410 4.740 -0.831 0.000 0.188 112 N C 1.152 176.797 175.510 0.226 0.000 1.146 112 N CA 0.756 53.694 53.050 -0.185 0.000 0.893 112 N CB 0.081 38.581 38.487 0.021 0.000 0.975 112 N HN 0.475 nan 8.380 nan 0.000 0.451 113 G N -0.578 108.344 108.800 0.203 0.000 3.192 113 G HA2 0.004 3.466 3.960 -0.831 0.000 0.239 113 G HA3 0.004 3.466 3.960 -0.831 0.000 0.239 113 G C 0.439 175.458 174.900 0.199 0.000 1.084 113 G CA -0.224 45.021 45.100 0.241 0.000 0.784 113 G HN 0.324 nan 8.290 nan 0.000 0.540 114 S N -0.274 115.530 115.700 0.174 0.000 2.592 114 S HA 0.183 4.155 4.470 -0.831 0.000 0.256 114 S C 1.519 176.219 174.600 0.167 0.000 1.369 114 S CA -0.169 58.118 58.200 0.145 0.000 0.984 114 S CB 1.258 64.533 63.200 0.124 0.000 0.919 114 S HN 0.108 nan 8.310 nan 0.000 0.576 115 R N 0.610 121.183 120.500 0.121 0.000 2.062 115 R HA -0.024 3.817 4.340 -0.831 0.000 0.226 115 R C 1.825 178.185 176.300 0.099 0.000 1.125 115 R CA 1.819 57.981 56.100 0.104 0.000 0.966 115 R CB -1.204 29.140 30.300 0.072 0.000 0.861 115 R HN 0.817 nan 8.270 nan 0.000 0.433 116 D N -0.162 120.298 120.400 0.100 0.000 2.104 116 D HA -0.185 3.957 4.640 -0.831 0.000 0.194 116 D C 1.574 177.934 176.300 0.100 0.000 0.994 116 D CA 1.306 55.357 54.000 0.085 0.000 0.830 116 D CB -0.179 40.673 40.800 0.087 0.000 0.959 116 D HN 0.080 nan 8.370 nan 0.000 0.452 117 F N 0.465 120.421 119.950 0.011 0.000 2.113 117 F HA -0.093 3.934 4.527 -0.833 0.000 0.297 117 F C 1.850 177.640 175.800 -0.016 0.000 1.103 117 F CA 0.813 58.814 58.000 0.001 0.000 1.248 117 F CB -0.215 38.804 39.000 0.031 0.000 0.999 117 F HN -0.097 nan 8.300 nan 0.000 0.475 118 L N 0.301 121.607 121.223 0.139 0.000 2.042 118 L HA -0.256 3.585 4.340 -0.831 0.000 0.210 118 L C 2.124 178.945 176.870 -0.082 0.000 1.076 118 L CA 1.826 56.718 54.840 0.085 0.000 0.749 118 L CB -1.067 41.125 42.059 0.222 0.000 0.893 118 L HN 0.111 nan 8.230 nan 0.000 0.432 119 D N -1.292 119.082 120.400 -0.043 0.000 2.178 119 D HA -0.116 4.026 4.640 -0.831 0.000 0.202 119 D C 2.292 178.491 176.300 -0.170 0.000 0.974 119 D CA 1.450 55.408 54.000 -0.070 0.000 0.841 119 D CB -0.018 40.772 40.800 -0.018 0.000 0.953 119 D HN 0.435 nan 8.370 nan 0.000 0.478 120 S N 0.273 115.834 115.700 -0.231 0.000 2.442 120 S HA -0.069 3.902 4.470 -0.831 0.000 0.236 120 S C 2.014 176.379 174.600 -0.391 0.000 1.007 120 S CA 0.499 58.533 58.200 -0.277 0.000 0.965 120 S CB -0.430 62.588 63.200 -0.302 0.000 0.773 120 S HN 0.252 nan 8.310 nan 0.000 0.504 121 L N 0.696 121.571 121.223 -0.579 0.000 2.592 121 L HA 0.343 4.185 4.340 -0.831 0.000 0.227 121 L C 1.800 178.220 176.870 -0.750 0.000 1.127 121 L CA 0.353 54.713 54.840 -0.800 0.000 0.884 121 L CB -0.560 40.718 42.059 -1.303 0.000 1.065 121 L HN 0.585 nan 8.230 nan 0.000 0.457 122 G N -0.022 108.526 108.800 -0.421 0.000 2.141 122 G HA2 -0.295 3.167 3.960 -0.831 0.000 0.242 122 G HA3 -0.295 3.167 3.960 -0.831 0.000 0.242 122 G C 0.332 175.295 174.900 0.105 0.000 0.982 122 G CA -0.338 44.676 45.100 -0.143 0.000 0.662 122 G HN 0.391 nan 8.290 nan 0.000 0.527 123 F N 2.334 122.265 119.950 -0.031 0.000 2.949 123 F HA 0.191 4.218 4.527 -0.833 0.000 0.291 123 F C 2.223 178.024 175.800 0.002 0.000 1.214 123 F CA -0.084 57.911 58.000 -0.009 0.000 1.381 123 F CB 0.231 39.233 39.000 0.002 0.000 1.066 123 F HN 0.299 nan 8.300 nan 0.000 0.520 124 S N -0.971 114.823 115.700 0.156 0.000 2.383 124 S HA -0.255 3.717 4.470 -0.831 0.000 0.229 124 S C 2.122 176.771 174.600 0.081 0.000 1.030 124 S CA 1.870 60.124 58.200 0.091 0.000 1.002 124 S CB -1.014 62.218 63.200 0.053 0.000 0.829 124 S HN 0.581 nan 8.310 nan 0.000 0.467 125 T N -0.615 113.985 114.554 0.077 0.000 3.055 125 T HA 0.068 3.919 4.350 -0.831 0.000 0.265 125 T C 0.807 175.530 174.700 0.039 0.000 1.111 125 T CA -0.065 62.061 62.100 0.044 0.000 1.118 125 T CB -0.430 68.452 68.868 0.024 0.000 0.909 125 T HN 0.469 nan 8.240 nan 0.000 0.501 126 R N 1.479 122.018 120.500 0.065 0.000 2.539 126 R HA 0.196 4.037 4.340 -0.831 0.000 0.275 126 R C -0.483 175.858 176.300 0.069 0.000 1.077 126 R CA -0.351 55.780 56.100 0.052 0.000 1.097 126 R CB 0.472 30.813 30.300 0.069 0.000 1.018 126 R HN 0.420 nan 8.270 nan 0.000 0.483 127 E N 2.129 122.361 120.200 0.053 0.000 2.331 127 E HA -0.021 3.831 4.350 -0.831 0.000 0.272 127 E C -0.635 176.017 176.600 0.087 0.000 1.036 127 E CA -0.260 56.175 56.400 0.058 0.000 0.864 127 E CB 1.054 30.779 29.700 0.040 0.000 1.035 127 E HN 0.511 nan 8.360 nan 0.000 0.408 128 E N 0.783 121.035 120.200 0.087 0.000 2.465 128 E HA 0.001 3.853 4.350 -0.831 0.000 0.260 128 E C 0.663 177.329 176.600 0.110 0.000 0.980 128 E CA 0.956 57.419 56.400 0.105 0.000 0.927 128 E CB 0.123 29.875 29.700 0.087 0.000 0.934 128 E HN 0.750 nan 8.360 nan 0.000 0.459 129 G N 4.254 113.138 108.800 0.140 0.000 2.259 129 G HA2 -0.240 3.222 3.960 -0.831 0.000 0.217 129 G HA3 -0.240 3.222 3.960 -0.831 0.000 0.217 129 G C -0.003 175.002 174.900 0.175 0.000 1.001 129 G CA 0.030 45.220 45.100 0.149 0.000 0.627 129 G HN 0.669 nan 8.290 nan 0.000 0.501 130 D N 1.396 121.891 120.400 0.158 0.000 2.374 130 D HA 0.436 4.577 4.640 -0.831 0.000 0.240 130 D C 1.815 178.210 176.300 0.158 0.000 1.229 130 D CA -0.327 53.765 54.000 0.153 0.000 0.895 130 D CB 0.237 41.109 40.800 0.120 0.000 1.046 130 D HN 0.271 nan 8.370 nan 0.000 0.498 131 L N 2.954 124.263 121.223 0.142 0.000 2.478 131 L HA 0.180 4.022 4.340 -0.831 0.000 0.223 131 L C 1.601 178.454 176.870 -0.028 0.000 1.140 131 L CA 0.475 55.388 54.840 0.121 0.000 0.842 131 L CB -0.694 41.422 42.059 0.096 0.000 0.953 131 L HN 0.655 nan 8.230 nan 0.000 0.452 132 G N 0.348 109.065 108.800 -0.139 0.000 2.582 132 G HA2 -0.176 3.285 3.960 -0.831 0.000 0.222 132 G HA3 -0.176 3.285 3.960 -0.831 0.000 0.222 132 G C -2.598 171.663 174.900 -1.065 0.000 1.311 132 G CA -0.431 44.369 45.100 -0.499 0.000 0.915 132 G HN -0.009 nan 8.290 nan 0.000 0.528 133 P HA 0.358 nan 4.420 nan 0.000 0.230 133 P C 0.785 177.753 177.300 -0.554 0.000 1.791 133 P CA 0.664 63.002 63.100 -1.272 0.000 1.020 133 P CB -0.152 30.846 31.700 -1.171 0.000 1.977 134 V N -0.587 119.038 119.914 -0.482 0.000 3.653 134 V HA 0.253 3.874 4.120 -0.831 0.000 0.281 134 V C 1.533 177.355 176.094 -0.453 0.000 1.132 134 V CA -0.488 61.519 62.300 -0.489 0.000 0.915 134 V CB -0.859 30.651 31.823 -0.521 0.000 1.241 134 V HN 0.074 nan 8.190 nan 0.000 0.441 135 Y N 1.414 121.436 120.300 -0.462 0.000 1.987 135 Y HA -0.329 3.716 4.550 -0.843 0.000 0.222 135 Y C 2.751 178.090 175.900 -0.934 0.000 1.222 135 Y CA 3.057 60.650 58.100 -0.844 0.000 1.007 135 Y CB -1.897 35.725 38.460 -1.395 0.000 0.811 135 Y HN 0.784 nan 8.280 nan 0.000 0.530 136 G N -1.268 107.194 108.800 -0.564 0.000 2.514 136 G HA2 -0.350 3.111 3.960 -0.831 0.000 0.217 136 G HA3 -0.350 3.111 3.960 -0.831 0.000 0.217 136 G C 1.673 176.485 174.900 -0.148 0.000 1.198 136 G CA 1.137 46.000 45.100 -0.394 0.000 0.780 136 G HN 0.477 nan 8.290 nan 0.000 0.565 137 F N 1.132 120.937 119.950 -0.242 0.000 2.120 137 F HA -0.151 3.876 4.527 -0.833 0.000 0.300 137 F C 2.967 178.719 175.800 -0.079 0.000 1.095 137 F CA 2.037 59.954 58.000 -0.139 0.000 1.249 137 F CB 0.139 38.962 39.000 -0.294 0.000 0.995 137 F HN 0.104 nan 8.300 nan 0.000 0.480 138 Q N -0.826 118.920 119.800 -0.090 0.000 2.187 138 Q HA -0.164 3.677 4.340 -0.831 0.000 0.199 138 Q C 2.008 178.146 176.000 0.229 0.000 0.957 138 Q CA 1.195 56.999 55.803 0.002 0.000 0.857 138 Q CB -0.833 27.978 28.738 0.122 0.000 0.929 138 Q HN 0.536 nan 8.270 nan 0.000 0.453 139 W N 1.407 122.667 121.300 -0.067 0.000 2.363 139 W HA -0.083 4.075 4.660 -0.836 0.000 0.296 139 W C 1.907 178.347 176.519 -0.132 0.000 1.212 139 W CA 0.766 58.086 57.345 -0.042 0.000 1.260 139 W CB -0.107 29.336 29.460 -0.028 0.000 1.131 139 W HN 0.134 nan 8.180 nan 0.000 0.530 140 R N -1.651 118.807 120.500 -0.070 0.000 2.307 140 R HA 0.099 3.941 4.340 -0.831 0.000 0.200 140 R C 0.152 176.013 176.300 -0.733 0.000 0.893 140 R CA 0.667 56.515 56.100 -0.420 0.000 1.042 140 R CB -0.407 29.542 30.300 -0.585 0.000 1.059 140 R HN 0.281 nan 8.270 nan 0.000 0.530 141 H N -0.916 117.991 119.070 -0.272 0.000 2.924 141 H HA 0.132 4.190 4.556 -0.830 0.000 0.229 141 H C 0.590 175.638 175.328 -0.466 0.000 1.345 141 H CA -0.839 54.964 56.048 -0.408 0.000 1.044 141 H CB -0.289 29.056 29.762 -0.694 0.000 2.221 141 H HN -0.052 nan 8.280 nan 0.000 0.574 142 F N 2.408 122.208 119.950 -0.251 0.000 2.048 142 F HA -0.300 3.726 4.527 -0.835 0.000 0.296 142 F C 2.368 178.103 175.800 -0.109 0.000 1.109 142 F CA 2.527 60.429 58.000 -0.164 0.000 1.214 142 F CB -0.232 38.731 39.000 -0.062 0.000 0.963 142 F HN 0.355 nan 8.300 nan 0.000 0.491 143 G N -0.403 108.501 108.800 0.173 0.000 2.422 143 G HA2 0.047 3.508 3.960 -0.831 0.000 0.218 143 G HA3 0.047 3.508 3.960 -0.831 0.000 0.218 143 G C 0.825 175.742 174.900 0.029 0.000 1.140 143 G CA 0.366 45.533 45.100 0.111 0.000 0.775 143 G HN 0.706 nan 8.290 nan 0.000 0.545 144 A N 0.428 123.250 122.820 0.003 0.000 2.613 144 A HA 0.269 4.090 4.320 -0.831 0.000 0.230 144 A C 0.409 178.138 177.584 0.242 0.000 1.051 144 A CA 0.457 52.558 52.037 0.107 0.000 0.754 144 A CB 0.079 19.105 19.000 0.043 0.000 0.979 144 A HN 0.393 nan 8.150 nan 0.000 0.510 145 E N 1.363 121.708 120.200 0.242 0.000 2.089 145 E HA 0.354 4.206 4.350 -0.831 0.000 0.284 145 E C -0.829 175.920 176.600 0.248 0.000 1.023 145 E CA -0.387 56.129 56.400 0.192 0.000 0.819 145 E CB 0.165 29.932 29.700 0.112 0.000 1.076 145 E HN 0.472 nan 8.360 nan 0.000 0.396 146 Y N 4.511 124.789 120.300 -0.038 0.000 2.497 146 Y HA 0.129 4.183 4.550 -0.826 0.000 0.334 146 Y C 0.753 176.594 175.900 -0.098 0.000 1.199 146 Y CA 0.586 58.499 58.100 -0.312 0.000 1.425 146 Y CB 0.695 38.752 38.460 -0.671 0.000 1.291 146 Y HN 0.692 nan 8.280 nan 0.000 0.562 147 R N 1.323 121.426 120.500 -0.662 0.000 2.242 147 R HA 0.230 4.072 4.340 -0.831 0.000 0.138 147 R C -0.895 174.921 176.300 -0.807 0.000 2.004 147 R CA 0.306 56.105 56.100 -0.501 0.000 1.618 147 R CB 0.172 30.298 30.300 -0.289 0.000 1.371 147 R HN 0.753 nan 8.270 nan 0.000 0.480 148 D N -0.674 119.288 120.400 -0.731 0.000 2.579 148 D HA 0.079 4.220 4.640 -0.831 0.000 0.257 148 D C 0.528 176.652 176.300 -0.294 0.000 1.176 148 D CA -0.725 52.965 54.000 -0.517 0.000 0.914 148 D CB 0.592 41.252 40.800 -0.233 0.000 1.431 148 D HN 0.222 nan 8.370 nan 0.000 0.454 149 M N -1.401 118.192 119.600 -0.011 0.000 2.706 149 M HA 0.019 4.001 4.480 -0.831 0.000 0.253 149 M C -0.053 176.300 176.300 0.089 0.000 1.063 149 M CA 1.423 56.804 55.300 0.137 0.000 1.067 149 M CB -0.311 32.378 32.600 0.148 0.000 1.423 149 M HN 0.417 nan 8.290 nan 0.000 0.530 150 E N 0.256 120.452 120.200 -0.007 0.000 2.601 150 E HA 0.226 4.078 4.350 -0.831 0.000 0.219 150 E C -0.220 176.306 176.600 -0.124 0.000 0.964 150 E CA -0.321 56.062 56.400 -0.029 0.000 1.050 150 E CB 0.862 30.543 29.700 -0.031 0.000 1.068 150 E HN 0.419 nan 8.360 nan 0.000 0.496 151 S N 1.435 116.984 115.700 -0.252 0.000 2.584 151 S HA 0.027 3.999 4.470 -0.831 0.000 0.270 151 S C -0.025 174.177 174.600 -0.664 0.000 1.346 151 S CA -0.206 57.678 58.200 -0.527 0.000 1.018 151 S CB 0.651 63.356 63.200 -0.824 0.000 0.899 151 S HN 0.123 nan 8.310 nan 0.000 0.542 152 D N 0.222 120.269 120.400 -0.588 0.000 2.380 152 D HA 0.239 4.380 4.640 -0.831 0.000 0.230 152 D C -0.552 175.443 176.300 -0.507 0.000 1.154 152 D CA -0.231 53.531 54.000 -0.398 0.000 0.859 152 D CB 0.144 40.817 40.800 -0.213 0.000 1.045 152 D HN 0.465 nan 8.370 nan 0.000 0.495 153 Y N 1.124 121.339 120.300 -0.142 0.000 2.449 153 Y HA 0.094 4.148 4.550 -0.827 0.000 0.254 153 Y C 1.365 177.063 175.900 -0.336 0.000 1.140 153 Y CA -0.308 57.594 58.100 -0.330 0.000 1.272 153 Y CB -0.308 37.763 38.460 -0.650 0.000 1.114 153 Y HN 0.280 nan 8.280 nan 0.000 0.525 154 S N 0.310 116.013 115.700 0.004 0.000 2.573 154 S HA 0.221 4.193 4.470 -0.831 0.000 0.297 154 S C 1.632 176.293 174.600 0.101 0.000 1.280 154 S CA 0.459 58.738 58.200 0.131 0.000 1.061 154 S CB 0.429 63.686 63.200 0.095 0.000 0.812 154 S HN 0.903 nan 8.310 nan 0.000 0.500 155 G N 2.139 111.029 108.800 0.150 0.000 2.205 155 G HA2 -0.251 3.211 3.960 -0.831 0.000 0.261 155 G HA3 -0.251 3.211 3.960 -0.831 0.000 0.261 155 G C -0.106 174.863 174.900 0.114 0.000 0.980 155 G CA 0.483 45.646 45.100 0.106 0.000 0.632 155 G HN 0.898 nan 8.290 nan 0.000 0.533 156 Q N -0.050 119.835 119.800 0.143 0.000 2.235 156 Q HA 0.544 4.385 4.340 -0.831 0.000 0.256 156 Q C 0.744 176.854 176.000 0.184 0.000 0.951 156 Q CA -0.224 55.656 55.803 0.130 0.000 0.890 156 Q CB 1.854 30.653 28.738 0.103 0.000 1.279 156 Q HN 1.561 nan 8.270 nan 0.000 0.444 157 G N 0.125 108.997 108.800 0.121 0.000 2.888 157 G HA2 -0.225 3.237 3.960 -0.831 0.000 0.441 157 G HA3 -0.225 3.237 3.960 -0.831 0.000 0.441 157 G C -0.587 174.375 174.900 0.102 0.000 1.461 157 G CA -0.325 44.837 45.100 0.103 0.000 0.897 157 G HN 0.758 nan 8.290 nan 0.000 0.547 158 V N -0.345 119.625 119.914 0.094 0.000 2.509 158 V HA 0.633 4.255 4.120 -0.831 0.000 0.284 158 V C 0.163 176.264 176.094 0.011 0.000 1.047 158 V CA 0.141 62.473 62.300 0.054 0.000 0.952 158 V CB 1.772 33.618 31.823 0.039 0.000 0.988 158 V HN 0.925 nan 8.190 nan 0.000 0.469 159 D N 4.343 124.733 120.400 -0.017 0.000 2.500 159 D HA 0.272 4.414 4.640 -0.831 0.000 0.219 159 D C 1.041 177.321 176.300 -0.034 0.000 1.137 159 D CA 0.112 54.080 54.000 -0.053 0.000 0.946 159 D CB 1.220 41.991 40.800 -0.049 0.000 1.022 159 D HN 0.760 nan 8.370 nan 0.000 0.518 160 Q N 1.554 121.338 119.800 -0.027 0.000 2.124 160 Q HA -0.168 3.674 4.340 -0.831 0.000 0.202 160 Q C 1.704 177.666 176.000 -0.063 0.000 0.977 160 Q CA 0.818 56.593 55.803 -0.047 0.000 0.850 160 Q CB 0.166 28.872 28.738 -0.053 0.000 0.901 160 Q HN 0.426 nan 8.270 nan 0.000 0.429 161 L N 1.153 122.342 121.223 -0.056 0.000 1.970 161 L HA -0.272 3.570 4.340 -0.831 0.000 0.212 161 L C 2.425 179.258 176.870 -0.062 0.000 1.071 161 L CA 2.136 56.934 54.840 -0.068 0.000 0.751 161 L CB -0.731 41.335 42.059 0.012 0.000 0.889 161 L HN 0.135 nan 8.230 nan 0.000 0.432 162 Q N -0.499 119.280 119.800 -0.034 0.000 2.096 162 Q HA -0.252 3.590 4.340 -0.831 0.000 0.204 162 Q C 2.387 178.360 176.000 -0.044 0.000 0.982 162 Q CA 1.790 57.573 55.803 -0.032 0.000 0.850 162 Q CB -0.279 28.448 28.738 -0.018 0.000 0.901 162 Q HN 0.349 nan 8.270 nan 0.000 0.422 163 R N -0.830 119.644 120.500 -0.044 0.000 2.096 163 R HA -0.118 3.724 4.340 -0.831 0.000 0.240 163 R C 2.144 178.411 176.300 -0.055 0.000 1.139 163 R CA 1.619 57.694 56.100 -0.042 0.000 0.952 163 R CB -0.942 29.334 30.300 -0.040 0.000 0.854 163 R HN 0.232 nan 8.270 nan 0.000 0.436 164 V N 0.705 120.573 119.914 -0.077 0.000 2.233 164 V HA -0.307 3.314 4.120 -0.831 0.000 0.247 164 V C 2.278 178.287 176.094 -0.141 0.000 1.050 164 V CA 2.294 64.526 62.300 -0.114 0.000 1.010 164 V CB -0.470 31.234 31.823 -0.197 0.000 0.637 164 V HN 0.335 nan 8.190 nan 0.000 0.444 165 I N 0.241 120.722 120.570 -0.148 0.000 2.113 165 I HA -0.355 3.317 4.170 -0.831 0.000 0.242 165 I C 2.306 178.377 176.117 -0.076 0.000 1.057 165 I CA 2.137 63.367 61.300 -0.116 0.000 1.314 165 I CB -0.706 37.249 38.000 -0.074 0.000 1.022 165 I HN 0.378 nan 8.210 nan 0.000 0.408 166 D N 0.269 120.635 120.400 -0.057 0.000 2.178 166 D HA -0.127 4.014 4.640 -0.831 0.000 0.201 166 D C 2.208 178.484 176.300 -0.039 0.000 0.980 166 D CA 1.641 55.617 54.000 -0.040 0.000 0.842 166 D CB -0.355 40.426 40.800 -0.031 0.000 0.948 166 D HN 0.375 nan 8.370 nan 0.000 0.472 167 T N 1.032 115.559 114.554 -0.044 0.000 2.812 167 T HA -0.015 3.837 4.350 -0.831 0.000 0.264 167 T C 2.264 176.941 174.700 -0.038 0.000 1.042 167 T CA 0.365 62.444 62.100 -0.035 0.000 1.140 167 T CB -0.090 68.762 68.868 -0.026 0.000 0.870 167 T HN 0.158 nan 8.240 nan 0.000 0.445 168 I N 0.761 121.299 120.570 -0.053 0.000 2.264 168 I HA -0.186 3.486 4.170 -0.831 0.000 0.248 168 I C 2.545 178.636 176.117 -0.043 0.000 1.111 168 I CA 1.355 62.623 61.300 -0.052 0.000 1.382 168 I CB -0.265 37.687 38.000 -0.081 0.000 1.060 168 I HN 0.190 nan 8.210 nan 0.000 0.418 169 K N -0.024 120.351 120.400 -0.041 0.000 2.155 169 K HA -0.099 3.722 4.320 -0.831 0.000 0.203 169 K C 2.020 178.603 176.600 -0.029 0.000 1.052 169 K CA 1.876 58.144 56.287 -0.033 0.000 0.948 169 K CB -0.035 32.448 32.500 -0.029 0.000 0.728 169 K HN 0.475 nan 8.250 nan 0.000 0.448 170 T N -2.752 111.784 114.554 -0.029 0.000 3.015 170 T HA 0.047 3.898 4.350 -0.831 0.000 0.250 170 T C 0.495 175.179 174.700 -0.027 0.000 1.057 170 T CA 0.038 62.123 62.100 -0.025 0.000 1.066 170 T CB 0.174 69.028 68.868 -0.022 0.000 0.959 170 T HN -0.047 nan 8.240 nan 0.000 0.488 171 N N 1.668 120.350 118.700 -0.030 0.000 2.824 171 N HA 0.291 4.533 4.740 -0.831 0.000 0.224 171 N C -2.538 172.947 175.510 -0.042 0.000 1.418 171 N CA -1.608 51.423 53.050 -0.033 0.000 0.743 171 N CB 1.500 39.971 38.487 -0.027 0.000 1.395 171 N HN -0.076 nan 8.380 nan 0.000 0.548 172 P HA -0.029 nan 4.420 nan 0.000 0.231 172 P C -0.188 177.044 177.300 -0.113 0.000 1.158 172 P CA 0.851 63.907 63.100 -0.073 0.000 0.763 172 P CB 0.481 32.138 31.700 -0.072 0.000 0.805 173 D N -0.630 119.715 120.400 -0.091 0.000 2.333 173 D HA -0.039 4.103 4.640 -0.831 0.000 0.208 173 D C 0.722 176.979 176.300 -0.071 0.000 0.984 173 D CA 0.342 54.280 54.000 -0.103 0.000 0.873 173 D CB -0.428 40.330 40.800 -0.069 0.000 0.935 173 D HN 0.209 nan 8.370 nan 0.000 0.521 174 D N 1.517 121.890 120.400 -0.045 0.000 2.586 174 D HA -0.113 4.028 4.640 -0.831 0.000 0.234 174 D C 0.626 176.928 176.300 0.002 0.000 1.132 174 D CA 0.304 54.294 54.000 -0.017 0.000 0.860 174 D CB 0.635 41.428 40.800 -0.010 0.000 1.159 174 D HN 0.065 nan 8.370 nan 0.000 0.490 175 R N 3.251 123.761 120.500 0.016 0.000 2.449 175 R HA 0.122 3.963 4.340 -0.831 0.000 0.262 175 R C 0.588 176.914 176.300 0.044 0.000 1.006 175 R CA 0.050 56.176 56.100 0.044 0.000 1.104 175 R CB 0.453 30.776 30.300 0.039 0.000 1.206 175 R HN 0.277 nan 8.270 nan 0.000 0.538 176 R N 0.321 120.843 120.500 0.036 0.000 2.616 176 R HA 0.278 4.120 4.340 -0.831 0.000 0.427 176 R C -0.171 176.155 176.300 0.043 0.000 1.030 176 R CA -0.188 55.929 56.100 0.029 0.000 1.133 176 R CB 0.690 30.995 30.300 0.008 0.000 1.444 176 R HN 0.056 nan 8.270 nan 0.000 0.578 177 I N 2.523 123.140 120.570 0.077 0.000 2.455 177 I HA 0.098 3.769 4.170 -0.831 0.000 0.303 177 I C -0.101 176.119 176.117 0.172 0.000 1.180 177 I CA 0.698 62.069 61.300 0.118 0.000 1.469 177 I CB -0.257 37.841 38.000 0.163 0.000 1.480 177 I HN 0.055 nan 8.210 nan 0.000 0.669 178 I N 5.753 126.384 120.570 0.102 0.000 2.569 178 I HA 0.459 4.131 4.170 -0.831 0.000 0.296 178 I C -0.361 175.785 176.117 0.048 0.000 1.028 178 I CA -0.738 60.609 61.300 0.079 0.000 1.082 178 I CB 2.451 40.464 38.000 0.021 0.000 1.264 178 I HN 0.475 nan 8.210 nan 0.000 0.429 179 M N 6.840 126.466 119.600 0.044 0.000 2.093 179 M HA 0.429 4.410 4.480 -0.831 0.000 0.297 179 M C -1.687 174.614 176.300 0.001 0.000 0.938 179 M CA -0.233 55.044 55.300 -0.039 0.000 0.920 179 M CB 1.319 33.832 32.600 -0.145 0.000 1.517 179 M HN 0.715 nan 8.290 nan 0.000 0.427 180 C N 4.364 123.687 119.300 0.039 0.000 2.319 180 C HA 0.826 4.787 4.460 -0.831 0.000 0.323 180 C C 1.175 176.371 174.990 0.342 0.000 1.277 180 C CA 0.003 59.121 59.018 0.167 0.000 1.517 180 C CB 0.417 28.216 27.740 0.098 0.000 2.206 180 C HN 1.034 nan 8.230 nan 0.000 0.486 181 A N 5.397 128.481 122.820 0.439 0.000 2.095 181 A HA 0.151 3.973 4.320 -0.831 0.000 0.212 181 A C 0.986 178.779 177.584 0.348 0.000 1.162 181 A CA -0.137 52.171 52.037 0.450 0.000 0.753 181 A CB -0.222 19.071 19.000 0.489 0.000 0.840 181 A HN 0.920 nan 8.150 nan 0.000 0.468 182 W N 2.238 123.670 121.300 0.220 0.000 2.565 182 W HA 0.168 4.367 4.660 -0.767 0.000 0.325 182 W C -0.670 175.984 176.519 0.225 0.000 1.408 182 W CA 0.116 57.561 57.345 0.167 0.000 1.350 182 W CB 0.265 29.819 29.460 0.158 0.000 1.426 182 W HN 0.230 nan 8.180 nan 0.000 0.538 183 N N 8.109 126.631 118.700 -0.296 0.000 2.776 183 N HA 0.186 4.428 4.740 -0.831 0.000 0.245 183 N C -1.829 173.471 175.510 -0.350 0.000 1.121 183 N CA -1.866 51.047 53.050 -0.228 0.000 0.852 183 N CB 1.245 39.431 38.487 -0.502 0.000 1.142 183 N HN 0.072 nan 8.380 nan 0.000 0.514 184 P HA -0.239 nan 4.420 nan 0.000 0.222 184 P C 1.226 178.454 177.300 -0.120 0.000 1.155 184 P CA 1.461 64.494 63.100 -0.112 0.000 0.890 184 P CB 0.351 32.106 31.700 0.092 0.000 0.790 185 R N -0.676 119.760 120.500 -0.107 0.000 2.115 185 R HA -0.087 3.754 4.340 -0.831 0.000 0.226 185 R C 1.265 177.482 176.300 -0.138 0.000 1.100 185 R CA 1.533 57.576 56.100 -0.094 0.000 0.980 185 R CB -0.400 29.860 30.300 -0.066 0.000 0.875 185 R HN 0.090 nan 8.270 nan 0.000 0.445 186 D N -0.015 120.255 120.400 -0.218 0.000 2.354 186 D HA -0.035 4.107 4.640 -0.831 0.000 0.209 186 D C 1.593 177.742 176.300 -0.250 0.000 1.015 186 D CA 0.143 54.002 54.000 -0.234 0.000 0.867 186 D CB 0.163 40.793 40.800 -0.283 0.000 0.933 186 D HN 0.104 nan 8.370 nan 0.000 0.520 187 L N 1.291 122.344 121.223 -0.284 0.000 2.030 187 L HA -0.198 3.643 4.340 -0.831 0.000 0.222 187 L C -0.605 176.190 176.870 -0.126 0.000 1.082 187 L CA 2.133 56.810 54.840 -0.271 0.000 0.785 187 L CB -1.955 39.932 42.059 -0.287 0.000 0.895 187 L HN 0.077 nan 8.230 nan 0.000 0.439 188 P HA -0.143 nan 4.420 nan 0.000 0.224 188 P C 1.350 178.698 177.300 0.081 0.000 1.142 188 P CA 1.225 64.339 63.100 0.022 0.000 0.778 188 P CB -0.001 31.704 31.700 0.009 0.000 0.764 189 L N -3.311 117.874 121.223 -0.064 0.000 2.808 189 L HA 0.258 4.100 4.340 -0.831 0.000 0.246 189 L C 0.722 177.468 176.870 -0.206 0.000 1.153 189 L CA -0.180 54.520 54.840 -0.232 0.000 0.956 189 L CB -0.219 41.662 42.059 -0.297 0.000 1.270 189 L HN -0.034 nan 8.230 nan 0.000 0.528 190 M N -0.227 119.345 119.600 -0.046 0.000 2.233 190 M HA 0.335 4.316 4.480 -0.831 0.000 0.355 190 M C 1.309 177.743 176.300 0.223 0.000 1.191 190 M CA -0.210 55.073 55.300 -0.029 0.000 1.101 190 M CB 1.833 34.349 32.600 -0.139 0.000 1.592 190 M HN 0.024 nan 8.290 nan 0.000 0.461 191 A N 3.789 126.778 122.820 0.282 0.000 2.067 191 A HA 0.100 3.922 4.320 -0.831 0.000 0.219 191 A C 0.692 178.518 177.584 0.403 0.000 1.158 191 A CA 1.077 53.366 52.037 0.420 0.000 0.661 191 A CB 0.264 19.543 19.000 0.464 0.000 0.801 191 A HN 0.689 nan 8.150 nan 0.000 0.452 192 L N -0.496 120.908 121.223 0.302 0.000 2.849 192 L HA 0.303 4.145 4.340 -0.831 0.000 0.256 192 L C -3.177 173.808 176.870 0.191 0.000 0.951 192 L CA -1.251 53.773 54.840 0.307 0.000 1.003 192 L CB 1.515 43.832 42.059 0.430 0.000 1.408 192 L HN -0.047 nan 8.230 nan 0.000 0.463 193 P HA 0.130 nan 4.420 nan 0.000 0.266 193 P C -2.453 174.932 177.300 0.141 0.000 1.186 193 P CA -0.412 62.710 63.100 0.037 0.000 0.767 193 P CB -0.132 31.643 31.700 0.125 0.000 0.820 194 P HA -0.041 nan 4.420 nan 0.000 0.264 194 P C 0.175 177.722 177.300 0.412 0.000 1.183 194 P CA 0.317 63.442 63.100 0.042 0.000 0.763 194 P CB 0.188 31.894 31.700 0.009 0.000 0.807 195 C N 1.152 120.745 119.300 0.487 0.000 2.524 195 C HA 0.018 3.980 4.460 -0.831 0.000 0.284 195 C C 1.067 176.317 174.990 0.433 0.000 1.346 195 C CA 0.308 59.593 59.018 0.444 0.000 1.739 195 C CB -1.658 26.371 27.740 0.482 0.000 2.119 195 C HN 0.685 nan 8.230 nan 0.000 0.501 196 H N -0.681 118.694 119.070 0.509 0.000 2.787 196 H HA 0.646 4.698 4.556 -0.841 0.000 0.275 196 H C 0.486 176.138 175.328 0.541 0.000 1.183 196 H CA 0.096 56.397 56.048 0.421 0.000 1.290 196 H CB 0.465 30.500 29.762 0.454 0.000 1.438 196 H HN 0.161 nan 8.280 nan 0.000 0.487 197 A N 4.088 127.171 122.820 0.438 0.000 2.147 197 A HA 0.276 4.097 4.320 -0.831 0.000 0.211 197 A C 0.383 178.210 177.584 0.404 0.000 1.160 197 A CA 0.128 52.439 52.037 0.458 0.000 0.781 197 A CB 0.318 19.590 19.000 0.452 0.000 0.842 197 A HN 0.664 nan 8.150 nan 0.000 0.475 198 L N -0.195 121.226 121.223 0.329 0.000 2.592 198 L HA 0.520 4.361 4.340 -0.831 0.000 0.258 198 L C -1.581 175.360 176.870 0.119 0.000 0.926 198 L CA -0.970 54.001 54.840 0.218 0.000 0.885 198 L CB 1.852 44.007 42.059 0.160 0.000 1.380 198 L HN 0.359 nan 8.230 nan 0.000 0.415 199 C N 2.079 121.405 119.300 0.043 0.000 2.797 199 C HA 0.816 4.778 4.460 -0.831 0.000 0.306 199 C C -0.762 174.142 174.990 -0.143 0.000 1.207 199 C CA -0.569 58.390 59.018 -0.099 0.000 1.507 199 C CB 1.423 29.073 27.740 -0.149 0.000 2.028 199 C HN 0.994 nan 8.230 nan 0.000 0.475 200 Q N 1.333 120.993 119.800 -0.233 0.000 2.372 200 Q HA 0.753 4.595 4.340 -0.831 0.000 0.273 200 Q C -1.891 173.948 176.000 -0.269 0.000 1.078 200 Q CA -0.402 55.320 55.803 -0.135 0.000 0.806 200 Q CB 1.742 30.460 28.738 -0.033 0.000 1.332 200 Q HN 0.747 nan 8.270 nan 0.000 0.435 201 F N 1.718 121.723 119.950 0.092 0.000 2.497 201 F HA 0.602 4.644 4.527 -0.810 0.000 0.331 201 F C -0.696 175.217 175.800 0.188 0.000 1.060 201 F CA -0.616 57.461 58.000 0.129 0.000 0.989 201 F CB 1.438 40.494 39.000 0.093 0.000 1.245 201 F HN 0.555 nan 8.300 nan 0.000 0.486 202 Y N 0.370 120.801 120.300 0.217 0.000 2.544 202 Y HA 0.715 4.767 4.550 -0.831 0.000 0.342 202 Y C -1.966 174.000 175.900 0.111 0.000 1.062 202 Y CA -1.069 57.103 58.100 0.120 0.000 1.023 202 Y CB 1.639 40.139 38.460 0.067 0.000 1.308 202 Y HN 0.371 nan 8.280 nan 0.000 0.457 203 V N 5.507 125.234 119.914 -0.311 0.000 2.789 203 V HA 0.853 4.475 4.120 -0.831 0.000 0.311 203 V C -1.260 174.618 176.094 -0.359 0.000 1.073 203 V CA -0.876 61.309 62.300 -0.191 0.000 0.921 203 V CB 1.799 33.559 31.823 -0.105 0.000 1.009 203 V HN 0.655 nan 8.190 nan 0.000 0.426 204 V N 3.643 123.489 119.914 -0.113 0.000 2.903 204 V HA 0.417 4.039 4.120 -0.831 0.000 0.289 204 V C -0.406 175.695 176.094 0.011 0.000 1.355 204 V CA -0.827 61.435 62.300 -0.062 0.000 0.953 204 V CB 2.280 34.121 31.823 0.031 0.000 1.102 204 V HN 0.966 nan 8.190 nan 0.000 0.435 205 N N 2.879 121.578 118.700 -0.002 0.000 2.735 205 N HA -0.184 4.058 4.740 -0.831 0.000 0.248 205 N C 0.673 176.187 175.510 0.007 0.000 1.083 205 N CA 1.257 54.312 53.050 0.009 0.000 0.703 205 N CB -1.146 37.357 38.487 0.026 0.000 1.005 205 N HN 1.031 nan 8.380 nan 0.000 0.550 206 S N -2.349 113.349 115.700 -0.004 0.000 3.261 206 S HA -0.261 3.710 4.470 -0.831 0.000 0.287 206 S C 0.154 174.757 174.600 0.006 0.000 1.281 206 S CA 1.713 59.910 58.200 -0.005 0.000 1.053 206 S CB -0.984 62.211 63.200 -0.008 0.000 1.251 206 S HN 0.864 nan 8.310 nan 0.000 0.659 207 E N 0.110 120.325 120.200 0.025 0.000 2.222 207 E HA 0.705 4.557 4.350 -0.831 0.000 0.267 207 E C -0.680 175.969 176.600 0.082 0.000 0.884 207 E CA -1.146 55.279 56.400 0.042 0.000 0.764 207 E CB 1.573 31.300 29.700 0.046 0.000 1.169 207 E HN 0.140 nan 8.360 nan 0.000 0.413 208 L N 2.249 123.526 121.223 0.090 0.000 2.275 208 L HA 0.408 4.250 4.340 -0.831 0.000 0.288 208 L C -0.930 176.071 176.870 0.217 0.000 1.046 208 L CA 0.132 55.067 54.840 0.157 0.000 0.805 208 L CB 1.445 43.586 42.059 0.137 0.000 1.193 208 L HN 0.626 nan 8.230 nan 0.000 0.426 209 S N 3.317 119.189 115.700 0.287 0.000 2.607 209 S HA 0.717 4.688 4.470 -0.831 0.000 0.303 209 S C -1.313 173.439 174.600 0.254 0.000 1.086 209 S CA -0.604 57.748 58.200 0.253 0.000 0.995 209 S CB 1.631 64.945 63.200 0.189 0.000 1.084 209 S HN 0.840 nan 8.310 nan 0.000 0.507 210 C N 2.454 121.855 119.300 0.169 0.000 2.686 210 C HA 0.744 4.705 4.460 -0.831 0.000 0.318 210 C C -1.060 173.921 174.990 -0.014 0.000 1.160 210 C CA -0.318 58.679 59.018 -0.035 0.000 1.396 210 C CB 0.829 28.546 27.740 -0.038 0.000 1.924 210 C HN 0.991 nan 8.230 nan 0.000 0.471 211 Q N 3.455 123.151 119.800 -0.173 0.000 2.377 211 Q HA 0.816 4.657 4.340 -0.831 0.000 0.271 211 Q C -1.778 174.102 176.000 -0.200 0.000 1.077 211 Q CA -0.694 54.981 55.803 -0.214 0.000 0.820 211 Q CB 2.022 30.651 28.738 -0.181 0.000 1.347 211 Q HN 0.854 nan 8.270 nan 0.000 0.444 212 L N 3.030 124.125 121.223 -0.213 0.000 2.401 212 L HA 0.510 4.352 4.340 -0.831 0.000 0.266 212 L C -2.145 174.693 176.870 -0.054 0.000 0.991 212 L CA -0.575 54.162 54.840 -0.171 0.000 0.818 212 L CB 1.916 43.777 42.059 -0.331 0.000 1.321 212 L HN 0.738 nan 8.230 nan 0.000 0.413 213 Y N 3.583 123.838 120.300 -0.075 0.000 2.417 213 Y HA 0.472 4.976 4.550 -0.075 0.000 0.336 213 Y C -0.475 175.446 175.900 0.034 0.000 0.961 213 Y CA -0.097 57.972 58.100 -0.051 0.000 1.215 213 Y CB 1.020 39.442 38.460 -0.064 0.000 1.120 213 Y HN 0.729 nan 8.280 nan 0.000 0.499 214 Q N 7.006 126.523 119.800 -0.472 0.000 2.466 214 Q HA 0.225 4.067 4.340 -0.831 0.000 0.242 214 Q C 1.109 176.891 176.000 -0.363 0.000 1.046 214 Q CA -0.560 55.133 55.803 -0.183 0.000 0.841 214 Q CB 0.661 29.435 28.738 0.060 0.000 1.193 214 Q HN 0.979 nan 8.270 nan 0.000 0.508 215 R N 1.042 121.410 120.500 -0.219 0.000 2.103 215 R HA -0.069 3.772 4.340 -0.831 0.000 0.242 215 R C 0.488 176.809 176.300 0.035 0.000 1.142 215 R CA 1.282 57.330 56.100 -0.087 0.000 0.960 215 R CB -0.036 30.286 30.300 0.037 0.000 0.858 215 R HN 0.287 nan 8.270 nan 0.000 0.439 216 S N -0.470 115.303 115.700 0.121 0.000 2.532 216 S HA 0.612 4.584 4.470 -0.831 0.000 0.299 216 S C -0.877 173.832 174.600 0.182 0.000 1.105 216 S CA -0.449 57.885 58.200 0.223 0.000 1.018 216 S CB 2.026 65.409 63.200 0.305 0.000 1.021 216 S HN 0.489 nan 8.310 nan 0.000 0.483 217 G N 2.651 111.489 108.800 0.065 0.000 2.805 217 G HA2 0.340 3.802 3.960 -0.831 0.000 0.283 217 G HA3 0.340 3.802 3.960 -0.831 0.000 0.283 217 G C -1.246 173.350 174.900 -0.507 0.000 1.508 217 G CA -0.552 44.494 45.100 -0.090 0.000 1.042 217 G HN 0.642 nan 8.290 nan 0.000 0.543 218 D N 3.896 124.122 120.400 -0.291 0.000 2.383 218 D HA 0.061 4.203 4.640 -0.831 0.000 0.245 218 D C 1.692 177.972 176.300 -0.033 0.000 1.263 218 D CA -0.585 53.259 54.000 -0.261 0.000 0.936 218 D CB 0.700 41.601 40.800 0.167 0.000 1.053 218 D HN 0.121 nan 8.370 nan 0.000 0.507 219 M N 2.711 122.273 119.600 -0.063 0.000 2.202 219 M HA -0.050 3.932 4.480 -0.831 0.000 0.262 219 M C 1.988 178.447 176.300 0.265 0.000 1.063 219 M CA 1.075 56.463 55.300 0.147 0.000 1.097 219 M CB -1.228 31.435 32.600 0.105 0.000 1.382 219 M HN 0.485 nan 8.290 nan 0.000 0.413 220 G N -0.606 108.358 108.800 0.274 0.000 2.403 220 G HA2 0.024 3.486 3.960 -0.831 0.000 0.216 220 G HA3 0.024 3.486 3.960 -0.831 0.000 0.216 220 G C 1.622 176.611 174.900 0.148 0.000 1.154 220 G CA 0.378 45.619 45.100 0.235 0.000 0.784 220 G HN 0.405 nan 8.290 nan 0.000 0.538 221 L N -0.770 120.567 121.223 0.190 0.000 2.783 221 L HA 0.311 4.153 4.340 -0.831 0.000 0.174 221 L C 3.033 179.943 176.870 0.066 0.000 1.235 221 L CA 0.636 55.532 54.840 0.093 0.000 0.862 221 L CB -0.792 41.314 42.059 0.078 0.000 1.249 221 L HN 0.186 nan 8.230 nan 0.000 0.518 222 G N 0.333 109.176 108.800 0.072 0.000 2.491 222 G HA2 -0.225 3.237 3.960 -0.831 0.000 0.218 222 G HA3 -0.225 3.237 3.960 -0.831 0.000 0.218 222 G C 1.556 176.553 174.900 0.161 0.000 1.180 222 G CA 1.253 46.411 45.100 0.097 0.000 0.774 222 G HN 0.107 nan 8.290 nan 0.000 0.562 223 V N 2.186 122.187 119.914 0.145 0.000 2.278 223 V HA -0.175 3.447 4.120 -0.831 0.000 0.251 223 V C 0.458 176.548 176.094 -0.007 0.000 1.062 223 V CA 2.530 64.903 62.300 0.122 0.000 1.038 223 V CB -1.192 30.758 31.823 0.211 0.000 0.646 223 V HN 0.320 nan 8.190 nan 0.000 0.447 224 P HA -0.120 nan 4.420 nan 0.000 0.218 224 P C 1.589 178.888 177.300 -0.002 0.000 1.149 224 P CA 1.378 64.406 63.100 -0.119 0.000 0.817 224 P CB -0.070 31.611 31.700 -0.033 0.000 0.785 225 F N 0.078 119.977 119.950 -0.085 0.000 2.098 225 F HA -0.106 3.920 4.527 -0.835 0.000 0.294 225 F C 2.076 177.808 175.800 -0.114 0.000 1.107 225 F CA 1.530 59.486 58.000 -0.073 0.000 1.234 225 F CB -1.324 37.659 39.000 -0.028 0.000 1.002 225 F HN -0.104 nan 8.300 nan 0.000 0.472 226 N N 0.413 119.180 118.700 0.112 0.000 2.021 226 N HA -0.266 3.975 4.740 -0.831 0.000 0.198 226 N C 1.955 177.383 175.510 -0.137 0.000 1.041 226 N CA 1.880 54.936 53.050 0.010 0.000 0.862 226 N CB -0.407 38.108 38.487 0.047 0.000 1.048 226 N HN 0.184 nan 8.380 nan 0.000 0.427 227 I N 1.122 121.522 120.570 -0.283 0.000 2.118 227 I HA -0.321 3.351 4.170 -0.831 0.000 0.241 227 I C 2.505 178.268 176.117 -0.591 0.000 1.070 227 I CA 1.283 62.315 61.300 -0.446 0.000 1.327 227 I CB -0.467 37.206 38.000 -0.546 0.000 1.034 227 I HN 0.225 nan 8.210 nan 0.000 0.405 228 A N -0.532 122.004 122.820 -0.473 0.000 1.969 228 A HA -0.206 3.616 4.320 -0.831 0.000 0.218 228 A C 2.469 179.899 177.584 -0.256 0.000 1.169 228 A CA 1.990 53.760 52.037 -0.445 0.000 0.635 228 A CB -0.661 18.210 19.000 -0.214 0.000 0.810 228 A HN 0.413 nan 8.150 nan 0.000 0.445 229 S N -1.685 113.846 115.700 -0.282 0.000 2.356 229 S HA -0.171 3.800 4.470 -0.831 0.000 0.223 229 S C 1.874 176.260 174.600 -0.357 0.000 1.032 229 S CA 1.586 59.614 58.200 -0.287 0.000 1.005 229 S CB -0.486 62.563 63.200 -0.252 0.000 0.867 229 S HN 0.623 nan 8.310 nan 0.000 0.449 230 Y N 1.310 121.362 120.300 -0.414 0.000 2.337 230 Y HA 0.207 4.276 4.550 -0.802 0.000 0.293 230 Y C 2.601 178.207 175.900 -0.490 0.000 1.123 230 Y CA 0.695 58.518 58.100 -0.462 0.000 1.201 230 Y CB -0.526 37.516 38.460 -0.696 0.000 1.011 230 Y HN 0.371 nan 8.280 nan 0.000 0.545 231 A N -0.220 122.272 122.820 -0.546 0.000 1.969 231 A HA -0.146 3.676 4.320 -0.831 0.000 0.218 231 A C 2.220 179.909 177.584 0.175 0.000 1.169 231 A CA 1.223 53.071 52.037 -0.316 0.000 0.635 231 A CB -0.839 17.687 19.000 -0.789 0.000 0.810 231 A HN 0.525 nan 8.150 nan 0.000 0.445 232 L N -1.074 120.252 121.223 0.171 0.000 2.044 232 L HA -0.103 3.738 4.340 -0.831 0.000 0.205 232 L C 2.453 179.351 176.870 0.046 0.000 1.075 232 L CA 1.479 56.396 54.840 0.128 0.000 0.747 232 L CB -0.266 41.745 42.059 -0.080 0.000 0.903 232 L HN 0.435 nan 8.230 nan 0.000 0.435 233 L N -0.222 120.997 121.223 -0.006 0.000 2.042 233 L HA -0.232 3.609 4.340 -0.831 0.000 0.210 233 L C 2.369 179.356 176.870 0.195 0.000 1.076 233 L CA 2.381 57.254 54.840 0.055 0.000 0.749 233 L CB -0.892 41.181 42.059 0.022 0.000 0.893 233 L HN 0.230 nan 8.230 nan 0.000 0.432 234 T N -1.454 113.271 114.554 0.284 0.000 2.674 234 T HA -0.228 3.624 4.350 -0.831 0.000 0.265 234 T C 1.721 176.601 174.700 0.299 0.000 1.039 234 T CA 1.913 64.229 62.100 0.361 0.000 1.150 234 T CB -0.590 68.495 68.868 0.361 0.000 0.864 234 T HN 0.302 nan 8.240 nan 0.000 0.427 235 Y N 1.313 121.707 120.300 0.157 0.000 2.114 235 Y HA -0.171 3.879 4.550 -0.833 0.000 0.282 235 Y C 2.600 178.593 175.900 0.155 0.000 1.165 235 Y CA 1.211 59.406 58.100 0.159 0.000 1.148 235 Y CB -0.629 37.925 38.460 0.156 0.000 0.972 235 Y HN 0.170 nan 8.280 nan 0.000 0.504 236 M N -0.815 118.931 119.600 0.244 0.000 2.082 236 M HA -0.289 3.693 4.480 -0.831 0.000 0.258 236 M C 2.162 178.628 176.300 0.276 0.000 1.071 236 M CA 1.966 57.343 55.300 0.128 0.000 1.103 236 M CB -0.689 31.892 32.600 -0.033 0.000 1.307 236 M HN 0.220 nan 8.290 nan 0.000 0.409 237 I N -0.100 120.578 120.570 0.179 0.000 2.286 237 I HA -0.247 3.424 4.170 -0.831 0.000 0.248 237 I C 2.656 178.833 176.117 0.100 0.000 1.115 237 I CA 1.095 62.450 61.300 0.092 0.000 1.392 237 I CB -0.554 37.384 38.000 -0.104 0.000 1.065 237 I HN 0.286 nan 8.210 nan 0.000 0.418 238 A N 0.045 122.935 122.820 0.118 0.000 1.933 238 A HA -0.273 3.549 4.320 -0.831 0.000 0.218 238 A C 2.334 179.987 177.584 0.116 0.000 1.175 238 A CA 1.655 53.739 52.037 0.078 0.000 0.628 238 A CB -0.899 18.114 19.000 0.022 0.000 0.814 238 A HN 0.493 nan 8.150 nan 0.000 0.444 239 H N 0.330 119.457 119.070 0.096 0.000 2.270 239 H HA -0.058 4.000 4.556 -0.831 0.000 0.299 239 H C 1.932 177.324 175.328 0.106 0.000 1.077 239 H CA 2.074 58.196 56.048 0.124 0.000 1.294 239 H CB -0.374 29.530 29.762 0.235 0.000 1.371 239 H HN 0.436 nan 8.280 nan 0.000 0.491 240 I N 1.022 121.841 120.570 0.415 0.000 2.423 240 I HA -0.229 3.442 4.170 -0.831 0.000 0.254 240 I C 2.170 178.342 176.117 0.091 0.000 1.151 240 I CA 1.788 63.231 61.300 0.239 0.000 1.421 240 I CB -0.241 37.861 38.000 0.170 0.000 1.079 240 I HN 0.416 nan 8.210 nan 0.000 0.431 241 T N -2.673 111.918 114.554 0.062 0.000 3.060 241 T HA 0.286 4.138 4.350 -0.831 0.000 0.249 241 T C 1.374 176.069 174.700 -0.009 0.000 1.079 241 T CA 0.344 62.450 62.100 0.011 0.000 1.013 241 T CB 0.505 69.369 68.868 -0.007 0.000 0.975 241 T HN 0.473 nan 8.240 nan 0.000 0.518 242 G N 1.397 110.185 108.800 -0.020 0.000 2.256 242 G HA2 -0.161 3.300 3.960 -0.831 0.000 0.272 242 G HA3 -0.161 3.300 3.960 -0.831 0.000 0.272 242 G C -0.292 174.586 174.900 -0.037 0.000 1.076 242 G CA 0.248 45.318 45.100 -0.050 0.000 0.882 242 G HN 0.658 nan 8.290 nan 0.000 0.497 243 L N -1.134 120.074 121.223 -0.025 0.000 2.333 243 L HA 0.705 4.547 4.340 -0.831 0.000 0.263 243 L C 0.247 177.098 176.870 -0.032 0.000 1.014 243 L CA -1.357 53.471 54.840 -0.019 0.000 0.820 243 L CB 1.948 44.005 42.059 -0.003 0.000 1.352 243 L HN 0.002 nan 8.230 nan 0.000 0.421 244 K N 1.907 122.287 120.400 -0.033 0.000 2.159 244 K HA 0.454 4.276 4.320 -0.831 0.000 0.266 244 K C -2.628 173.931 176.600 -0.068 0.000 0.975 244 K CA -1.934 54.315 56.287 -0.063 0.000 0.865 244 K CB 1.907 34.383 32.500 -0.040 0.000 1.087 244 K HN 0.125 nan 8.250 nan 0.000 0.446 245 P HA -0.013 nan 4.420 nan 0.000 0.265 245 P C -0.133 177.161 177.300 -0.009 0.000 1.187 245 P CA 0.193 63.209 63.100 -0.140 0.000 0.766 245 P CB 0.787 32.214 31.700 -0.455 0.000 0.820 246 G N 2.290 111.134 108.800 0.073 0.000 2.754 246 G HA2 0.163 3.624 3.960 -0.831 0.000 0.210 246 G HA3 0.163 3.624 3.960 -0.831 0.000 0.210 246 G C -0.516 174.458 174.900 0.123 0.000 2.092 246 G CA 0.047 45.206 45.100 0.099 0.000 0.766 246 G HN 0.395 nan 8.290 nan 0.000 0.745 247 D N -0.805 119.677 120.400 0.138 0.000 2.419 247 D HA 0.473 4.614 4.640 -0.831 0.000 0.234 247 D C -1.675 174.761 176.300 0.226 0.000 1.014 247 D CA -0.332 53.758 54.000 0.150 0.000 0.919 247 D CB 2.701 43.542 40.800 0.068 0.000 1.366 247 D HN 0.080 nan 8.370 nan 0.000 0.490 248 F N 1.768 121.777 119.950 0.100 0.000 2.434 248 F HA 0.413 4.441 4.527 -0.831 0.000 0.355 248 F C -1.231 174.645 175.800 0.126 0.000 1.115 248 F CA -0.959 57.099 58.000 0.097 0.000 1.010 248 F CB 0.379 39.437 39.000 0.097 0.000 1.234 248 F HN 0.053 nan 8.300 nan 0.000 0.439 249 I N 6.260 126.509 120.570 -0.536 0.000 2.301 249 I HA 0.164 3.836 4.170 -0.831 0.000 0.292 249 I C 0.043 175.691 176.117 -0.781 0.000 1.046 249 I CA -0.114 60.876 61.300 -0.517 0.000 1.282 249 I CB 0.470 38.291 38.000 -0.298 0.000 1.409 249 I HN 0.549 nan 8.210 nan 0.000 0.484 250 H N 5.793 124.441 119.070 -0.702 0.000 2.640 250 H HA 0.393 4.448 4.556 -0.836 0.000 0.297 250 H C -0.877 174.296 175.328 -0.257 0.000 1.073 250 H CA -0.493 55.262 56.048 -0.488 0.000 1.305 250 H CB 0.682 30.372 29.762 -0.121 0.000 1.404 250 H HN 0.529 nan 8.280 nan 0.000 0.459 251 T N 7.094 121.443 114.554 -0.341 0.000 2.758 251 T HA 0.219 4.071 4.350 -0.831 0.000 0.285 251 T C -0.231 174.138 174.700 -0.553 0.000 0.981 251 T CA -0.805 61.066 62.100 -0.381 0.000 0.965 251 T CB 0.753 69.503 68.868 -0.196 0.000 0.927 251 T HN 0.331 nan 8.240 nan 0.000 0.448 252 L N 2.757 123.648 121.223 -0.553 0.000 2.322 252 L HA 0.587 4.429 4.340 -0.831 0.000 0.279 252 L C 1.256 177.824 176.870 -0.503 0.000 1.036 252 L CA 0.132 54.667 54.840 -0.509 0.000 0.807 252 L CB 1.190 43.017 42.059 -0.386 0.000 1.226 252 L HN 0.830 nan 8.230 nan 0.000 0.433 253 G N 1.343 109.863 108.800 -0.468 0.000 2.680 253 G HA2 -0.053 3.408 3.960 -0.831 0.000 0.224 253 G HA3 -0.053 3.408 3.960 -0.831 0.000 0.224 253 G C -0.179 174.661 174.900 -0.100 0.000 1.454 253 G CA 0.151 45.002 45.100 -0.414 0.000 0.900 253 G HN 0.556 nan 8.290 nan 0.000 0.570 254 D N 1.446 121.945 120.400 0.165 0.000 2.485 254 D HA 0.537 4.678 4.640 -0.831 0.000 0.221 254 D C -0.130 176.306 176.300 0.228 0.000 1.112 254 D CA -0.493 53.689 54.000 0.302 0.000 0.911 254 D CB 0.604 41.583 40.800 0.298 0.000 1.019 254 D HN 0.271 nan 8.370 nan 0.000 0.516 255 A N 4.983 127.866 122.820 0.105 0.000 2.276 255 A HA 0.539 4.361 4.320 -0.831 0.000 0.300 255 A C -0.214 177.393 177.584 0.038 0.000 1.235 255 A CA -0.521 51.508 52.037 -0.013 0.000 0.867 255 A CB 0.321 19.285 19.000 -0.059 0.000 1.137 255 A HN 0.714 nan 8.150 nan 0.000 0.527 256 H N 0.583 119.623 119.070 -0.050 0.000 2.928 256 H HA 0.669 4.725 4.556 -0.835 0.000 0.371 256 H C -1.708 173.532 175.328 -0.146 0.000 1.186 256 H CA -1.309 54.668 56.048 -0.119 0.000 1.134 256 H CB 1.365 30.992 29.762 -0.225 0.000 1.824 256 H HN 0.416 nan 8.280 nan 0.000 0.554 257 I N 2.635 123.195 120.570 -0.017 0.000 2.411 257 I HA 0.155 3.827 4.170 -0.831 0.000 0.284 257 I C -0.550 175.568 176.117 0.001 0.000 1.012 257 I CA -0.683 60.624 61.300 0.011 0.000 1.119 257 I CB 0.811 38.850 38.000 0.064 0.000 1.261 257 I HN 0.447 nan 8.210 nan 0.000 0.448 258 Y N 5.144 125.481 120.300 0.061 0.000 2.578 258 Y HA -0.001 4.052 4.550 -0.829 0.000 0.339 258 Y C 1.569 177.458 175.900 -0.018 0.000 1.231 258 Y CA -0.209 57.855 58.100 -0.059 0.000 1.461 258 Y CB 0.703 38.964 38.460 -0.332 0.000 1.323 258 Y HN 0.523 nan 8.280 nan 0.000 0.590 259 L N 1.644 122.971 121.223 0.173 0.000 2.079 259 L HA -0.278 3.564 4.340 -0.831 0.000 0.210 259 L C 1.807 178.747 176.870 0.118 0.000 1.081 259 L CA 1.541 56.450 54.840 0.115 0.000 0.752 259 L CB -0.467 41.642 42.059 0.082 0.000 0.896 259 L HN 0.764 nan 8.230 nan 0.000 0.433 260 N N -1.219 117.544 118.700 0.105 0.000 2.421 260 N HA -0.138 4.104 4.740 -0.831 0.000 0.201 260 N C 0.965 176.658 175.510 0.304 0.000 1.198 260 N CA 0.574 53.705 53.050 0.136 0.000 0.838 260 N CB -0.322 38.214 38.487 0.081 0.000 1.011 260 N HN 0.574 nan 8.380 nan 0.000 0.463 261 H N -0.596 118.542 119.070 0.114 0.000 3.046 261 H HA 0.330 4.387 4.556 -0.832 0.000 0.262 261 H C 1.620 176.996 175.328 0.079 0.000 1.044 261 H CA -0.411 55.702 56.048 0.108 0.000 1.209 261 H CB 0.893 30.751 29.762 0.159 0.000 1.507 261 H HN 0.062 nan 8.280 nan 0.000 0.507 262 I N 1.116 121.801 120.570 0.191 0.000 2.163 262 I HA -0.250 3.422 4.170 -0.831 0.000 0.243 262 I C 2.202 178.363 176.117 0.073 0.000 1.085 262 I CA 1.308 62.674 61.300 0.110 0.000 1.347 262 I CB -0.016 38.034 38.000 0.083 0.000 1.044 262 I HN 0.277 nan 8.210 nan 0.000 0.408 263 E N 0.494 120.735 120.200 0.068 0.000 2.046 263 E HA -0.132 3.719 4.350 -0.831 0.000 0.190 263 E C -0.137 176.482 176.600 0.031 0.000 0.982 263 E CA 1.287 57.712 56.400 0.041 0.000 0.800 263 E CB -1.582 28.140 29.700 0.037 0.000 0.756 263 E HN 0.398 nan 8.360 nan 0.000 0.449 264 P HA -0.116 nan 4.420 nan 0.000 0.215 264 P C 1.519 178.826 177.300 0.012 0.000 1.153 264 P CA 0.781 63.888 63.100 0.012 0.000 0.853 264 P CB 0.061 31.753 31.700 -0.012 0.000 0.788 265 L N -0.302 120.938 121.223 0.028 0.000 2.093 265 L HA -0.111 3.731 4.340 -0.831 0.000 0.208 265 L C 2.108 178.982 176.870 0.007 0.000 1.085 265 L CA 1.842 56.699 54.840 0.028 0.000 0.755 265 L CB -1.155 40.933 42.059 0.049 0.000 0.904 265 L HN -0.121 nan 8.230 nan 0.000 0.435 266 K N -0.768 119.638 120.400 0.010 0.000 2.152 266 K HA -0.140 3.682 4.320 -0.831 0.000 0.206 266 K C 2.052 178.644 176.600 -0.013 0.000 1.048 266 K CA 1.251 57.536 56.287 -0.003 0.000 0.933 266 K CB -0.140 32.362 32.500 0.003 0.000 0.721 266 K HN 0.310 nan 8.250 nan 0.000 0.447 267 I N 0.464 121.027 120.570 -0.011 0.000 2.333 267 I HA -0.240 3.431 4.170 -0.831 0.000 0.246 267 I C 2.711 178.805 176.117 -0.039 0.000 1.106 267 I CA 0.919 62.205 61.300 -0.023 0.000 1.411 267 I CB -0.168 37.822 38.000 -0.017 0.000 1.082 267 I HN 0.254 nan 8.210 nan 0.000 0.420 268 Q N 1.299 121.085 119.800 -0.024 0.000 2.135 268 Q HA -0.223 3.619 4.340 -0.831 0.000 0.204 268 Q C 2.378 178.354 176.000 -0.040 0.000 0.981 268 Q CA 1.491 57.279 55.803 -0.025 0.000 0.856 268 Q CB -0.037 28.721 28.738 0.032 0.000 0.902 268 Q HN 0.502 nan 8.270 nan 0.000 0.425 269 L N 0.350 121.551 121.223 -0.037 0.000 2.191 269 L HA -0.220 3.622 4.340 -0.831 0.000 0.212 269 L C 2.152 178.989 176.870 -0.056 0.000 1.103 269 L CA 1.241 56.051 54.840 -0.050 0.000 0.769 269 L CB -0.050 41.979 42.059 -0.049 0.000 0.908 269 L HN 0.404 nan 8.230 nan 0.000 0.438 270 Q N -0.724 119.039 119.800 -0.061 0.000 2.331 270 Q HA -0.016 3.826 4.340 -0.831 0.000 0.203 270 Q C 0.393 176.334 176.000 -0.099 0.000 0.944 270 Q CA 0.228 55.992 55.803 -0.065 0.000 0.892 270 Q CB 0.241 28.946 28.738 -0.054 0.000 0.983 270 Q HN 0.460 nan 8.270 nan 0.000 0.482 271 R N 1.212 121.615 120.500 -0.162 0.000 2.641 271 R HA 0.141 3.982 4.340 -0.831 0.000 0.269 271 R C -0.002 176.191 176.300 -0.179 0.000 1.074 271 R CA 0.003 55.916 56.100 -0.311 0.000 1.133 271 R CB 0.493 30.406 30.300 -0.645 0.000 1.029 271 R HN 0.070 nan 8.270 nan 0.000 0.488 272 E N 3.592 123.739 120.200 -0.088 0.000 2.197 272 E HA 0.236 4.088 4.350 -0.831 0.000 0.281 272 E C -2.105 174.597 176.600 0.169 0.000 0.995 272 E CA -2.284 54.147 56.400 0.050 0.000 0.808 272 E CB 1.243 30.988 29.700 0.076 0.000 1.093 272 E HN 0.303 nan 8.360 nan 0.000 0.394 273 P HA 0.092 nan 4.420 nan 0.000 0.272 273 P C -0.781 176.587 177.300 0.113 0.000 1.230 273 P CA -0.168 62.977 63.100 0.074 0.000 0.788 273 P CB 0.933 32.547 31.700 -0.142 0.000 0.949 274 R N 0.794 121.378 120.500 0.140 0.000 2.902 274 R HA 0.567 4.408 4.340 -0.831 0.000 0.258 274 R C -2.465 173.879 176.300 0.074 0.000 1.071 274 R CA -2.461 53.693 56.100 0.090 0.000 1.024 274 R CB -0.520 29.792 30.300 0.019 0.000 1.184 274 R HN 0.301 nan 8.270 nan 0.000 0.492 275 P HA 0.056 nan 4.420 nan 0.000 0.268 275 P C -0.411 176.827 177.300 -0.104 0.000 1.204 275 P CA 0.082 63.078 63.100 -0.174 0.000 0.768 275 P CB 0.158 31.821 31.700 -0.061 0.000 0.842 276 F N 5.016 124.856 119.950 -0.184 0.000 2.595 276 F HA 0.094 4.123 4.527 -0.830 0.000 0.359 276 F C -0.990 174.796 175.800 -0.023 0.000 1.147 276 F CA -1.395 56.567 58.000 -0.063 0.000 1.341 276 F CB -0.812 38.132 39.000 -0.094 0.000 1.104 276 F HN 0.328 nan 8.300 nan 0.000 0.603 277 P HA 0.218 nan 4.420 nan 0.000 0.297 277 P C -1.311 176.006 177.300 0.029 0.000 1.303 277 P CA -0.478 62.672 63.100 0.083 0.000 0.753 277 P CB 1.106 32.802 31.700 -0.006 0.000 1.281 278 K N -0.848 119.526 120.400 -0.042 0.000 2.328 278 K HA 0.568 4.389 4.320 -0.831 0.000 0.246 278 K C -0.933 175.547 176.600 -0.200 0.000 0.955 278 K CA -0.923 55.336 56.287 -0.045 0.000 0.817 278 K CB 1.456 33.959 32.500 0.006 0.000 1.208 278 K HN 0.222 nan 8.250 nan 0.000 0.432 279 L N 2.414 123.491 121.223 -0.243 0.000 2.294 279 L HA 0.403 4.244 4.340 -0.831 0.000 0.283 279 L C -0.725 176.075 176.870 -0.117 0.000 1.015 279 L CA -0.182 54.400 54.840 -0.429 0.000 0.831 279 L CB 1.036 42.518 42.059 -0.962 0.000 1.217 279 L HN 0.526 nan 8.230 nan 0.000 0.420 280 R N 5.152 125.606 120.500 -0.076 0.000 2.460 280 R HA 0.614 4.456 4.340 -0.831 0.000 0.303 280 R C -1.119 175.186 176.300 0.009 0.000 0.968 280 R CA -0.634 55.472 56.100 0.010 0.000 0.889 280 R CB 1.037 31.332 30.300 -0.007 0.000 1.123 280 R HN 0.747 nan 8.270 nan 0.000 0.455 281 I N 7.032 127.617 120.570 0.025 0.000 2.337 281 I HA 0.087 3.759 4.170 -0.831 0.000 0.285 281 I C 1.031 177.111 176.117 -0.063 0.000 1.041 281 I CA -0.359 60.877 61.300 -0.107 0.000 1.199 281 I CB 1.497 39.462 38.000 -0.059 0.000 1.370 281 I HN 0.647 nan 8.210 nan 0.000 0.470 282 L N 5.578 126.738 121.223 -0.105 0.000 2.651 282 L HA -0.003 3.839 4.340 -0.831 0.000 0.236 282 L C 1.053 177.905 176.870 -0.029 0.000 1.173 282 L CA 0.877 55.687 54.840 -0.050 0.000 0.843 282 L CB -0.874 41.156 42.059 -0.048 0.000 0.964 282 L HN 0.640 nan 8.230 nan 0.000 0.454 283 R N 0.381 120.866 120.500 -0.024 0.000 2.664 283 R HA 0.234 4.075 4.340 -0.831 0.000 0.266 283 R C -1.306 175.057 176.300 0.106 0.000 1.046 283 R CA -0.827 55.283 56.100 0.016 0.000 0.885 283 R CB 1.392 31.677 30.300 -0.026 0.000 1.254 283 R HN -0.176 nan 8.270 nan 0.000 0.465 284 K N 3.092 123.561 120.400 0.115 0.000 2.316 284 K HA 0.268 4.090 4.320 -0.831 0.000 0.289 284 K C -1.142 175.520 176.600 0.103 0.000 1.070 284 K CA -0.296 56.114 56.287 0.206 0.000 0.928 284 K CB 0.896 33.449 32.500 0.088 0.000 1.039 284 K HN 0.355 nan 8.250 nan 0.000 0.480 285 V N 4.596 124.585 119.914 0.125 0.000 2.555 285 V HA 0.165 3.786 4.120 -0.831 0.000 0.302 285 V C 0.711 176.724 176.094 -0.135 0.000 1.038 285 V CA -0.673 61.489 62.300 -0.229 0.000 0.887 285 V CB 1.668 32.974 31.823 -0.863 0.000 0.991 285 V HN 0.826 nan 8.190 nan 0.000 0.434 286 E N 2.066 122.169 120.200 -0.163 0.000 2.065 286 E HA 0.122 3.974 4.350 -0.831 0.000 0.191 286 E C 0.087 176.612 176.600 -0.125 0.000 0.960 286 E CA 0.551 56.895 56.400 -0.094 0.000 0.824 286 E CB 0.203 29.862 29.700 -0.068 0.000 0.793 286 E HN 0.475 nan 8.360 nan 0.000 0.459 287 K N 1.284 121.584 120.400 -0.168 0.000 2.130 287 K HA 0.260 4.082 4.320 -0.831 0.000 0.268 287 K C 1.181 177.656 176.600 -0.208 0.000 0.983 287 K CA -0.269 55.938 56.287 -0.132 0.000 0.893 287 K CB 1.996 34.444 32.500 -0.086 0.000 1.066 287 K HN 0.024 nan 8.250 nan 0.000 0.450 288 I N 1.186 121.710 120.570 -0.078 0.000 2.567 288 I HA -0.269 3.402 4.170 -0.831 0.000 0.257 288 I C 0.266 176.434 176.117 0.085 0.000 1.184 288 I CA 1.521 62.849 61.300 0.045 0.000 1.451 288 I CB 0.184 38.281 38.000 0.161 0.000 1.089 288 I HN 0.556 nan 8.210 nan 0.000 0.441 289 D N 0.377 120.787 120.400 0.017 0.000 2.355 289 D HA -0.099 4.042 4.640 -0.831 0.000 0.218 289 D C 1.389 177.694 176.300 0.009 0.000 1.004 289 D CA 0.425 54.454 54.000 0.049 0.000 0.880 289 D CB 0.059 40.883 40.800 0.039 0.000 0.911 289 D HN 0.318 nan 8.370 nan 0.000 0.528 290 D N -0.240 120.094 120.400 -0.109 0.000 2.234 290 D HA -0.032 4.110 4.640 -0.831 0.000 0.205 290 D C 0.276 176.527 176.300 -0.082 0.000 0.962 290 D CA 0.134 54.051 54.000 -0.139 0.000 0.855 290 D CB -0.112 40.539 40.800 -0.248 0.000 0.951 290 D HN 0.232 nan 8.370 nan 0.000 0.500 291 F N 1.650 121.615 119.950 0.025 0.000 2.623 291 F HA -0.046 3.982 4.527 -0.831 0.000 0.383 291 F C 1.408 177.262 175.800 0.089 0.000 1.077 291 F CA 0.406 58.442 58.000 0.060 0.000 1.268 291 F CB 0.445 39.551 39.000 0.175 0.000 1.053 291 F HN -0.405 nan 8.300 nan 0.000 0.571 292 K N 2.176 122.766 120.400 0.317 0.000 2.395 292 K HA 0.543 4.365 4.320 -0.831 0.000 0.247 292 K C 0.522 177.262 176.600 0.233 0.000 0.973 292 K CA -0.589 55.816 56.287 0.197 0.000 0.828 292 K CB 1.769 34.334 32.500 0.108 0.000 1.272 292 K HN 0.537 nan 8.250 nan 0.000 0.439 293 A N 1.295 124.197 122.820 0.138 0.000 1.948 293 A HA -0.222 3.600 4.320 -0.831 0.000 0.220 293 A C 1.512 179.201 177.584 0.176 0.000 1.177 293 A CA 1.921 54.027 52.037 0.115 0.000 0.636 293 A CB -0.496 18.506 19.000 0.004 0.000 0.815 293 A HN 0.793 nan 8.150 nan 0.000 0.449 294 E N 0.725 120.995 120.200 0.117 0.000 2.268 294 E HA -0.103 3.748 4.350 -0.831 0.000 0.195 294 E C 1.083 177.711 176.600 0.048 0.000 0.995 294 E CA 1.052 57.501 56.400 0.081 0.000 0.836 294 E CB -0.236 29.492 29.700 0.047 0.000 0.763 294 E HN 0.602 nan 8.360 nan 0.000 0.491 295 D N -0.425 119.981 120.400 0.010 0.000 2.348 295 D HA -0.050 4.092 4.640 -0.831 0.000 0.216 295 D C -0.151 175.866 176.300 -0.472 0.000 0.970 295 D CA 0.665 54.527 54.000 -0.231 0.000 0.889 295 D CB 0.065 40.676 40.800 -0.314 0.000 0.912 295 D HN 0.151 nan 8.370 nan 0.000 0.524 296 F N 0.055 120.003 119.950 -0.003 0.000 2.556 296 F HA 0.442 4.472 4.527 -0.829 0.000 0.327 296 F C 0.343 176.145 175.800 0.003 0.000 1.059 296 F CA -0.923 57.065 58.000 -0.020 0.000 0.953 296 F CB 1.790 40.777 39.000 -0.021 0.000 1.227 296 F HN -0.409 nan 8.300 nan 0.000 0.478 297 Q N 2.088 121.971 119.800 0.138 0.000 2.313 297 Q HA 0.387 4.229 4.340 -0.831 0.000 0.260 297 Q C -1.935 173.979 176.000 -0.144 0.000 0.972 297 Q CA -0.577 55.238 55.803 0.021 0.000 0.886 297 Q CB 2.098 30.839 28.738 0.006 0.000 1.373 297 Q HN 0.505 nan 8.270 nan 0.000 0.416 298 I N 2.990 123.400 120.570 -0.267 0.000 2.396 298 I HA 0.338 4.010 4.170 -0.831 0.000 0.292 298 I C 0.041 176.031 176.117 -0.211 0.000 0.999 298 I CA 0.074 61.113 61.300 -0.436 0.000 1.310 298 I CB 1.389 38.942 38.000 -0.745 0.000 1.404 298 I HN 0.705 nan 8.210 nan 0.000 0.496 299 E N 2.721 122.822 120.200 -0.166 0.000 2.256 299 E HA 0.504 4.355 4.350 -0.831 0.000 0.267 299 E C 0.258 176.846 176.600 -0.019 0.000 0.892 299 E CA -0.740 55.621 56.400 -0.065 0.000 0.775 299 E CB 1.861 31.535 29.700 -0.043 0.000 1.207 299 E HN 0.808 nan 8.360 nan 0.000 0.420 300 G N 2.092 110.903 108.800 0.018 0.000 2.305 300 G HA2 -0.335 3.126 3.960 -0.831 0.000 0.287 300 G HA3 -0.335 3.126 3.960 -0.831 0.000 0.287 300 G C -0.479 174.491 174.900 0.117 0.000 1.036 300 G CA 0.438 45.567 45.100 0.047 0.000 0.887 300 G HN 0.610 nan 8.290 nan 0.000 0.505 301 Y N 0.781 121.051 120.300 -0.051 0.000 2.477 301 Y HA 0.410 4.463 4.550 -0.829 0.000 0.349 301 Y C 0.625 176.512 175.900 -0.022 0.000 0.977 301 Y CA -0.818 57.260 58.100 -0.038 0.000 1.214 301 Y CB 0.512 38.926 38.460 -0.076 0.000 1.124 301 Y HN 0.217 nan 8.280 nan 0.000 0.521 302 N N 9.295 127.929 118.700 -0.110 0.000 2.904 302 N HA 0.275 4.517 4.740 -0.831 0.000 0.257 302 N C -3.017 172.305 175.510 -0.313 0.000 1.363 302 N CA -1.766 51.148 53.050 -0.227 0.000 0.856 302 N CB 0.966 39.386 38.487 -0.112 0.000 1.166 302 N HN 0.391 nan 8.380 nan 0.000 0.499 303 P HA 0.236 nan 4.420 nan 0.000 0.280 303 P C -0.491 176.668 177.300 -0.236 0.000 1.272 303 P CA -0.262 62.630 63.100 -0.348 0.000 0.819 303 P CB 1.533 32.935 31.700 -0.497 0.000 1.122 304 H N -0.409 118.622 119.070 -0.065 0.000 2.581 304 H HA 0.225 4.282 4.556 -0.831 0.000 0.369 304 H C -1.724 173.584 175.328 -0.033 0.000 1.351 304 H CA -0.840 55.188 56.048 -0.033 0.000 1.434 304 H CB -0.521 29.242 29.762 0.001 0.000 1.558 304 H HN 0.287 nan 8.280 nan 0.000 0.608 305 P HA -0.034 nan 4.420 nan 0.000 0.270 305 P C -0.168 177.169 177.300 0.060 0.000 1.227 305 P CA 0.215 63.350 63.100 0.058 0.000 0.788 305 P CB 0.326 32.057 31.700 0.051 0.000 0.926 306 T N 1.339 115.915 114.554 0.037 0.000 2.802 306 T HA 0.312 4.164 4.350 -0.831 0.000 0.305 306 T C 0.427 175.145 174.700 0.030 0.000 1.053 306 T CA 0.283 62.407 62.100 0.039 0.000 1.058 306 T CB -0.089 68.789 68.868 0.017 0.000 0.988 306 T HN 0.201 nan 8.240 nan 0.000 0.539 307 I N 1.526 122.112 120.570 0.027 0.000 2.534 307 I HA 0.264 3.936 4.170 -0.831 0.000 0.286 307 I C -0.400 175.709 176.117 -0.014 0.000 1.094 307 I CA -1.166 60.138 61.300 0.008 0.000 1.055 307 I CB 1.777 39.786 38.000 0.014 0.000 1.225 307 I HN 0.295 nan 8.210 nan 0.000 0.435 308 K N 7.278 127.663 120.400 -0.025 0.000 2.218 308 K HA 0.680 4.501 4.320 -0.831 0.000 0.276 308 K C -0.729 175.832 176.600 -0.065 0.000 1.022 308 K CA -0.247 56.016 56.287 -0.039 0.000 0.946 308 K CB 1.536 34.018 32.500 -0.030 0.000 1.000 308 K HN 0.600 nan 8.250 nan 0.000 0.468 309 M N 1.307 120.853 119.600 -0.091 0.000 2.322 309 M HA 0.171 4.153 4.480 -0.831 0.000 0.286 309 M C -0.530 175.788 176.300 0.030 0.000 1.111 309 M CA -0.458 54.749 55.300 -0.155 0.000 0.941 309 M CB 2.892 35.140 32.600 -0.585 0.000 1.671 309 M HN 0.480 nan 8.290 nan 0.000 0.470 310 E N 3.689 123.992 120.200 0.170 0.000 2.257 310 E HA 0.247 4.098 4.350 -0.831 0.000 0.278 310 E C -0.794 175.887 176.600 0.136 0.000 1.049 310 E CA -0.240 56.230 56.400 0.116 0.000 0.876 310 E CB 1.061 30.794 29.700 0.054 0.000 1.035 310 E HN 0.619 nan 8.360 nan 0.000 0.419 311 M N 3.958 123.564 119.600 0.009 0.000 2.217 311 M HA 0.195 4.176 4.480 -0.831 0.000 0.352 311 M C -0.582 175.598 176.300 -0.200 0.000 1.376 311 M CA -0.189 55.065 55.300 -0.076 0.000 1.107 311 M CB 0.552 33.081 32.600 -0.119 0.000 1.723 311 M HN 0.564 nan 8.290 nan 0.000 0.461 312 A N 5.872 128.466 122.820 -0.376 0.000 2.409 312 A HA 0.492 4.313 4.320 -0.831 0.000 0.267 312 A C -0.208 177.217 177.584 -0.266 0.000 1.127 312 A CA -0.596 51.164 52.037 -0.461 0.000 0.795 312 A CB 0.109 18.508 19.000 -1.002 0.000 1.061 312 A HN 0.758 nan 8.150 nan 0.000 0.502 313 V N 0.000 119.803 119.914 -0.185 0.000 2.409 313 V HA 0.000 3.622 4.120 -0.831 0.000 0.244 313 V CA 0.000 62.206 62.300 -0.156 0.000 1.235 313 V CB 0.000 31.737 31.823 -0.143 0.000 1.184 313 V HN 0.000 nan 8.190 nan 0.000 0.556