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 2z3k_1_B DATA FIRST_RESID 2 DATA SEQUENCE RLVQLSRHSI AFPSPEGALR EPNGLLALGG DLSPARLLMA YQRGIFPWFS DATA SEQUENCE PGDPILWWSP DPRAVLWPES LHISRSMKRF HKRSPYRVTM NYAFGQVIEG DATA SEQUENCE CASDREEGTW ITRGVVEAYH RLHELGHAHS IEVWREDELV GGMYGVAQGT DATA SEQUENCE LFCGESMFSR MENASKTALL VFCEEFIGHG GKLIDCQVLN DHTASLGACE DATA SEQUENCE IPRRDYLNYL NQMRLGRLPN NFWVPRCLFS P 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 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.283 176.300 -0.028 0.000 0.893 2 R CA 0.000 56.088 56.100 -0.020 0.000 0.921 2 R CB 0.000 30.291 30.300 -0.016 0.000 0.687 3 L N 1.673 122.875 121.223 -0.035 0.000 2.795 3 L HA -0.069 4.269 4.340 -0.004 0.000 0.290 3 L C -0.035 176.811 176.870 -0.041 0.000 1.206 3 L CA 0.736 55.548 54.840 -0.046 0.000 0.919 3 L CB 0.288 42.315 42.059 -0.053 0.000 1.227 3 L HN -0.048 nan 8.230 nan 0.000 0.483 4 V N 4.534 124.422 119.914 -0.043 0.000 2.532 4 V HA 0.226 4.344 4.120 -0.004 0.000 0.295 4 V C 0.168 176.231 176.094 -0.051 0.000 1.041 4 V CA -0.740 61.531 62.300 -0.047 0.000 0.926 4 V CB 1.741 33.532 31.823 -0.052 0.000 0.992 4 V HN 0.588 nan 8.190 nan 0.000 0.457 5 Q N 4.117 123.885 119.800 -0.054 0.000 2.465 5 Q HA 0.434 4.772 4.340 -0.004 0.000 0.237 5 Q C -0.538 175.415 176.000 -0.079 0.000 1.051 5 Q CA -0.266 55.506 55.803 -0.052 0.000 0.874 5 Q CB 1.064 29.779 28.738 -0.038 0.000 1.207 5 Q HN 0.617 nan 8.270 nan 0.000 0.508 6 L N 1.356 122.510 121.223 -0.115 0.000 2.492 6 L HA 0.055 4.393 4.340 -0.004 0.000 0.280 6 L C 0.970 177.765 176.870 -0.124 0.000 1.240 6 L CA 0.321 55.048 54.840 -0.187 0.000 0.831 6 L CB -0.009 41.872 42.059 -0.297 0.000 1.100 6 L HN 0.525 nan 8.230 nan 0.000 0.505 7 S N 0.711 116.332 115.700 -0.132 0.000 2.709 7 S HA 0.449 4.916 4.470 -0.004 0.000 0.302 7 S C 0.693 175.195 174.600 -0.164 0.000 1.127 7 S CA -0.924 57.212 58.200 -0.106 0.000 0.905 7 S CB 1.856 65.052 63.200 -0.007 0.000 1.151 7 S HN 0.729 nan 8.310 nan 0.000 0.510 8 R N 0.345 120.691 120.500 -0.256 0.000 2.120 8 R HA -0.094 4.244 4.340 -0.004 0.000 0.234 8 R C 1.196 177.330 176.300 -0.276 0.000 1.123 8 R CA 1.233 57.166 56.100 -0.278 0.000 0.975 8 R CB -1.242 28.849 30.300 -0.348 0.000 0.866 8 R HN 0.742 nan 8.270 nan 0.000 0.446 9 H N 1.670 120.697 119.070 -0.072 0.000 3.392 9 H HA -0.015 4.538 4.556 -0.004 0.000 0.304 9 H C 0.701 175.972 175.328 -0.095 0.000 0.986 9 H CA 1.245 57.249 56.048 -0.073 0.000 1.012 9 H CB -0.866 28.856 29.762 -0.067 0.000 1.682 9 H HN 0.157 nan 8.280 nan 0.000 0.978 10 S N -0.079 115.650 115.700 0.048 0.000 2.576 10 S HA 0.028 4.496 4.470 -0.004 0.000 0.272 10 S C 0.943 175.444 174.600 -0.164 0.000 1.352 10 S CA -0.299 57.863 58.200 -0.063 0.000 1.021 10 S CB 0.113 63.265 63.200 -0.080 0.000 0.887 10 S HN 0.320 nan 8.310 nan 0.000 0.542 11 I N 2.674 123.130 120.570 -0.190 0.000 3.936 11 I HA 0.415 4.583 4.170 -0.004 0.000 0.330 11 I C 0.383 176.266 176.117 -0.389 0.000 1.509 11 I CA 0.124 61.250 61.300 -0.290 0.000 1.126 11 I CB -0.110 37.793 38.000 -0.162 0.000 1.115 11 I HN 0.625 nan 8.210 nan 0.000 0.424 12 A N 0.211 122.834 122.820 -0.327 0.000 2.309 12 A HA 0.620 4.938 4.320 -0.004 0.000 0.298 12 A C -0.721 176.631 177.584 -0.385 0.000 1.165 12 A CA -0.129 51.757 52.037 -0.253 0.000 0.821 12 A CB 0.037 18.962 19.000 -0.125 0.000 1.102 12 A HN 0.173 nan 8.150 nan 0.000 0.500 13 F N 1.827 121.673 119.950 -0.174 0.000 2.440 13 F HA 0.528 5.054 4.527 -0.003 0.000 0.328 13 F C -1.552 174.171 175.800 -0.129 0.000 1.070 13 F CA -1.676 56.203 58.000 -0.201 0.000 1.011 13 F CB 0.800 39.659 39.000 -0.235 0.000 1.226 13 F HN 0.407 nan 8.300 nan 0.000 0.491 14 P HA 0.124 nan 4.420 nan 0.000 0.277 14 P C -0.999 176.327 177.300 0.042 0.000 1.276 14 P CA -0.599 62.521 63.100 0.033 0.000 0.788 14 P CB 0.541 32.247 31.700 0.011 0.000 1.114 15 S N -0.065 115.647 115.700 0.020 0.000 2.537 15 S HA 0.266 4.733 4.470 -0.004 0.000 0.275 15 S C -1.626 172.982 174.600 0.013 0.000 1.272 15 S CA -1.554 56.657 58.200 0.018 0.000 1.050 15 S CB -0.052 63.156 63.200 0.013 0.000 0.961 15 S HN 0.164 nan 8.310 nan 0.000 0.496 16 P HA -0.141 nan 4.420 nan 0.000 0.218 16 P C 0.934 178.248 177.300 0.024 0.000 1.152 16 P CA 1.146 64.258 63.100 0.020 0.000 0.857 16 P CB 0.136 31.861 31.700 0.043 0.000 0.787 17 E N -0.941 119.273 120.200 0.023 0.000 2.171 17 E HA -0.136 4.212 4.350 -0.004 0.000 0.197 17 E C 2.148 178.756 176.600 0.014 0.000 0.997 17 E CA 1.653 58.065 56.400 0.020 0.000 0.810 17 E CB -1.352 28.357 29.700 0.016 0.000 0.738 17 E HN 0.278 nan 8.360 nan 0.000 0.467 18 G N -0.158 108.646 108.800 0.008 0.000 2.744 18 G HA2 0.121 4.079 3.960 -0.004 0.000 0.211 18 G HA3 0.121 4.079 3.960 -0.004 0.000 0.211 18 G C 0.540 175.438 174.900 -0.003 0.000 1.143 18 G CA 0.271 45.371 45.100 0.001 0.000 0.788 18 G HN 0.400 nan 8.290 nan 0.000 0.534 19 A N 0.096 122.916 122.820 -0.000 0.000 2.555 19 A HA 0.426 4.744 4.320 -0.004 0.000 0.233 19 A C 0.495 178.082 177.584 0.005 0.000 1.060 19 A CA -0.080 51.954 52.037 -0.006 0.000 0.759 19 A CB 0.173 19.179 19.000 0.011 0.000 0.995 19 A HN 0.308 nan 8.150 nan 0.000 0.506 20 L N 1.900 123.123 121.223 -0.001 0.000 2.436 20 L HA 0.230 4.568 4.340 -0.004 0.000 0.265 20 L C 1.760 178.654 176.870 0.040 0.000 1.168 20 L CA -0.308 54.540 54.840 0.014 0.000 0.815 20 L CB 0.345 42.407 42.059 0.004 0.000 1.109 20 L HN 0.870 nan 8.230 nan 0.000 0.462 21 R N 0.407 120.929 120.500 0.036 0.000 2.153 21 R HA 0.058 4.396 4.340 -0.004 0.000 0.218 21 R C -0.296 176.036 176.300 0.053 0.000 1.072 21 R CA 0.774 56.899 56.100 0.041 0.000 0.990 21 R CB 0.316 30.634 30.300 0.029 0.000 0.889 21 R HN 0.560 nan 8.270 nan 0.000 0.452 22 E N 0.620 120.854 120.200 0.055 0.000 2.287 22 E HA 0.239 4.587 4.350 -0.004 0.000 0.274 22 E C -2.462 174.185 176.600 0.079 0.000 0.896 22 E CA -1.804 54.637 56.400 0.068 0.000 0.788 22 E CB 2.053 31.781 29.700 0.047 0.000 1.244 22 E HN 0.063 nan 8.360 nan 0.000 0.408 23 P HA 0.062 nan 4.420 nan 0.000 0.269 23 P C 0.091 177.524 177.300 0.220 0.000 1.215 23 P CA -0.434 62.783 63.100 0.196 0.000 0.780 23 P CB 0.724 32.629 31.700 0.341 0.000 0.898 24 N N 1.030 119.831 118.700 0.167 0.000 2.417 24 N HA 0.038 4.776 4.740 -0.004 0.000 0.272 24 N C 1.441 177.102 175.510 0.252 0.000 1.304 24 N CA 1.651 54.786 53.050 0.141 0.000 0.906 24 N CB -0.433 38.085 38.487 0.052 0.000 1.135 24 N HN 0.770 nan 8.380 nan 0.000 0.483 25 G N 2.888 111.807 108.800 0.198 0.000 2.199 25 G HA2 -0.242 3.716 3.960 -0.004 0.000 0.254 25 G HA3 -0.242 3.716 3.960 -0.004 0.000 0.254 25 G C 0.328 175.317 174.900 0.149 0.000 0.982 25 G CA -0.089 45.133 45.100 0.203 0.000 0.632 25 G HN 0.578 nan 8.290 nan 0.000 0.529 26 L N 1.112 122.358 121.223 0.038 0.000 2.615 26 L HA 0.294 4.632 4.340 -0.004 0.000 0.271 26 L C 1.438 178.108 176.870 -0.333 0.000 1.183 26 L CA 0.718 55.184 54.840 -0.624 0.000 0.933 26 L CB 0.838 42.495 42.059 -0.670 0.000 1.199 26 L HN 0.272 nan 8.230 nan 0.000 0.487 27 L N 5.837 126.855 121.223 -0.340 0.000 2.433 27 L HA 0.503 4.841 4.340 -0.004 0.000 0.200 27 L C 0.453 177.265 176.870 -0.097 0.000 1.059 27 L CA 1.138 55.888 54.840 -0.150 0.000 0.835 27 L CB 0.217 42.224 42.059 -0.087 0.000 1.076 27 L HN 0.723 nan 8.230 nan 0.000 0.481 28 A N -0.498 122.287 122.820 -0.058 0.000 2.609 28 A HA 0.675 4.993 4.320 -0.004 0.000 0.291 28 A C -1.647 176.027 177.584 0.151 0.000 1.096 28 A CA -0.401 51.653 52.037 0.028 0.000 0.684 28 A CB 1.085 20.109 19.000 0.040 0.000 1.282 28 A HN 0.227 nan 8.150 nan 0.000 0.412 29 L N -1.143 120.144 121.223 0.106 0.000 2.327 29 L HA 0.994 5.331 4.340 -0.004 0.000 0.258 29 L C 0.307 177.241 176.870 0.107 0.000 1.024 29 L CA -0.282 54.626 54.840 0.113 0.000 0.825 29 L CB 1.535 43.579 42.059 -0.026 0.000 1.386 29 L HN 2.402 nan 8.230 nan 0.000 0.417 30 G N -0.197 108.654 108.800 0.085 0.000 2.512 30 G HA2 0.377 4.335 3.960 -0.004 0.000 0.210 30 G HA3 0.377 4.335 3.960 -0.004 0.000 0.210 30 G C 0.234 175.221 174.900 0.146 0.000 1.295 30 G CA -0.106 45.023 45.100 0.047 0.000 0.934 30 G HN 2.612 nan 8.290 nan 0.000 0.554 31 G N -0.817 108.008 108.800 0.041 0.000 2.593 31 G HA2 0.447 4.405 3.960 -0.004 0.000 0.237 31 G HA3 0.447 4.405 3.960 -0.004 0.000 0.237 31 G C -0.249 174.706 174.900 0.091 0.000 1.312 31 G CA 1.051 46.173 45.100 0.037 0.000 0.896 31 G HN 2.742 nan 8.290 nan 0.000 0.574 32 D N -1.839 118.648 120.400 0.145 0.000 2.636 32 D HA 0.629 5.267 4.640 -0.004 0.000 0.275 32 D C 0.559 177.029 176.300 0.283 0.000 1.130 32 D CA -0.898 53.190 54.000 0.147 0.000 1.031 32 D CB 0.663 41.505 40.800 0.071 0.000 1.451 32 D HN 0.577 nan 8.370 nan 0.000 0.505 33 L N 0.711 122.065 121.223 0.219 0.000 2.984 33 L HA 0.270 4.608 4.340 -0.004 0.000 0.246 33 L C 0.334 177.306 176.870 0.171 0.000 1.268 33 L CA -0.503 54.493 54.840 0.260 0.000 1.054 33 L CB -0.209 41.975 42.059 0.208 0.000 1.393 33 L HN 0.488 nan 8.230 nan 0.000 0.532 34 S N -1.162 114.624 115.700 0.145 0.000 2.568 34 S HA 0.151 4.619 4.470 -0.004 0.000 0.282 34 S C -1.597 173.058 174.600 0.091 0.000 1.338 34 S CA -0.926 57.327 58.200 0.088 0.000 1.045 34 S CB 1.013 64.247 63.200 0.056 0.000 0.873 34 S HN -0.001 nan 8.310 nan 0.000 0.516 35 P HA -0.181 nan 4.420 nan 0.000 0.215 35 P C 1.713 179.044 177.300 0.052 0.000 1.163 35 P CA 2.276 65.402 63.100 0.042 0.000 0.894 35 P CB -0.264 31.456 31.700 0.032 0.000 0.791 36 A N -0.658 122.189 122.820 0.044 0.000 1.908 36 A HA -0.258 4.060 4.320 -0.004 0.000 0.218 36 A C 2.412 180.036 177.584 0.066 0.000 1.181 36 A CA 2.070 54.129 52.037 0.037 0.000 0.627 36 A CB -1.227 17.784 19.000 0.019 0.000 0.818 36 A HN 0.033 nan 8.150 nan 0.000 0.445 37 R N -0.463 120.084 120.500 0.079 0.000 2.070 37 R HA -0.051 4.286 4.340 -0.004 0.000 0.233 37 R C 2.109 178.567 176.300 0.264 0.000 1.137 37 R CA 1.618 57.780 56.100 0.104 0.000 0.945 37 R CB -0.446 29.897 30.300 0.072 0.000 0.845 37 R HN 0.517 nan 8.270 nan 0.000 0.430 38 L N 0.301 121.715 121.223 0.319 0.000 1.970 38 L HA -0.229 4.109 4.340 -0.004 0.000 0.212 38 L C 2.428 179.521 176.870 0.372 0.000 1.071 38 L CA 0.957 56.059 54.840 0.436 0.000 0.751 38 L CB -0.604 41.672 42.059 0.361 0.000 0.889 38 L HN 0.256 nan 8.230 nan 0.000 0.432 39 L N -0.632 120.718 121.223 0.212 0.000 2.129 39 L HA -0.258 4.080 4.340 -0.004 0.000 0.212 39 L C 2.461 179.408 176.870 0.128 0.000 1.087 39 L CA 1.802 56.705 54.840 0.104 0.000 0.757 39 L CB -0.494 41.517 42.059 -0.080 0.000 0.896 39 L HN 0.300 nan 8.230 nan 0.000 0.434 40 M N -1.404 118.285 119.600 0.148 0.000 2.200 40 M HA -0.032 4.446 4.480 -0.004 0.000 0.265 40 M C 2.124 178.496 176.300 0.121 0.000 1.066 40 M CA 1.895 57.285 55.300 0.150 0.000 1.127 40 M CB -0.397 32.315 32.600 0.187 0.000 1.379 40 M HN 0.152 nan 8.290 nan 0.000 0.420 41 A N -0.964 121.892 122.820 0.060 0.000 1.872 41 A HA -0.128 4.190 4.320 -0.004 0.000 0.214 41 A C 1.934 179.409 177.584 -0.181 0.000 1.187 41 A CA 1.441 53.248 52.037 -0.383 0.000 0.614 41 A CB -1.335 17.339 19.000 -0.543 0.000 0.826 41 A HN 0.616 nan 8.150 nan 0.000 0.442 42 Y N 0.052 120.399 120.300 0.079 0.000 2.403 42 Y HA -0.179 4.368 4.550 -0.004 0.000 0.291 42 Y C 2.581 178.534 175.900 0.090 0.000 1.143 42 Y CA 1.619 59.793 58.100 0.124 0.000 1.257 42 Y CB -0.182 38.354 38.460 0.127 0.000 0.984 42 Y HN 0.518 nan 8.280 nan 0.000 0.550 43 Q N 0.500 120.405 119.800 0.176 0.000 2.297 43 Q HA -0.110 4.228 4.340 -0.004 0.000 0.204 43 Q C 1.215 177.259 176.000 0.073 0.000 0.962 43 Q CA 0.915 56.786 55.803 0.114 0.000 0.879 43 Q CB 0.182 28.971 28.738 0.085 0.000 0.947 43 Q HN 0.369 nan 8.270 nan 0.000 0.462 44 R N -1.100 119.421 120.500 0.036 0.000 2.432 44 R HA 0.190 4.528 4.340 -0.004 0.000 0.260 44 R C 0.646 176.970 176.300 0.040 0.000 0.935 44 R CA 0.576 56.684 56.100 0.013 0.000 1.080 44 R CB 0.981 31.262 30.300 -0.031 0.000 1.155 44 R HN 0.330 nan 8.270 nan 0.000 0.531 45 G N 2.085 110.952 108.800 0.112 0.000 2.149 45 G HA2 -0.241 3.717 3.960 -0.004 0.000 0.235 45 G HA3 -0.241 3.717 3.960 -0.004 0.000 0.235 45 G C 0.065 175.066 174.900 0.169 0.000 1.018 45 G CA -0.021 45.243 45.100 0.273 0.000 0.728 45 G HN 0.262 nan 8.290 nan 0.000 0.508 46 I N -0.360 120.194 120.570 -0.027 0.000 2.648 46 I HA 0.860 5.028 4.170 -0.004 0.000 0.304 46 I C 0.118 176.155 176.117 -0.133 0.000 1.009 46 I CA -1.469 59.739 61.300 -0.153 0.000 1.114 46 I CB 1.774 39.494 38.000 -0.467 0.000 1.293 46 I HN 0.211 nan 8.210 nan 0.000 0.449 47 F N 3.450 123.360 119.950 -0.066 0.000 2.628 47 F HA 0.688 5.212 4.527 -0.004 0.000 0.309 47 F C -3.188 172.708 175.800 0.160 0.000 1.108 47 F CA -2.548 55.377 58.000 -0.126 0.000 0.971 47 F CB 1.376 40.284 39.000 -0.153 0.000 1.279 47 F HN 0.085 nan 8.300 nan 0.000 0.441 48 P HA 0.265 nan 4.420 nan 0.000 0.285 48 P C -1.704 175.761 177.300 0.275 0.000 1.259 48 P CA 0.178 63.215 63.100 -0.105 0.000 0.794 48 P CB 1.529 32.973 31.700 -0.427 0.000 0.940 49 W N 6.644 128.041 121.300 0.161 0.000 3.827 49 W HA 0.532 5.191 4.660 -0.001 0.000 0.307 49 W C -2.269 174.472 176.519 0.369 0.000 1.204 49 W CA -0.324 56.867 57.345 -0.257 0.000 1.250 49 W CB 1.013 30.138 29.460 -0.559 0.000 1.281 49 W HN 0.435 nan 8.180 nan 0.000 0.494 50 F N 3.023 122.312 119.950 -1.102 0.000 2.725 50 F HA 0.604 5.129 4.527 -0.004 0.000 0.309 50 F C -0.646 174.752 175.800 -0.670 0.000 1.132 50 F CA -1.073 56.445 58.000 -0.804 0.000 0.957 50 F CB 0.374 39.238 39.000 -0.228 0.000 1.286 50 F HN 0.301 nan 8.300 nan 0.000 0.440 51 S N 0.868 116.282 115.700 -0.476 0.000 2.565 51 S HA 0.620 5.088 4.470 -0.004 0.000 0.274 51 S C -2.827 171.718 174.600 -0.091 0.000 1.309 51 S CA -1.265 56.774 58.200 -0.270 0.000 1.043 51 S CB 0.751 63.886 63.200 -0.107 0.000 0.939 51 S HN 0.539 nan 8.310 nan 0.000 0.504 52 P HA 0.197 nan 4.420 nan 0.000 0.261 52 P C 1.151 178.473 177.300 0.037 0.000 1.173 52 P CA 1.525 64.608 63.100 -0.030 0.000 0.760 52 P CB -0.000 31.666 31.700 -0.057 0.000 0.783 53 G N 1.876 110.725 108.800 0.083 0.000 2.254 53 G HA2 -0.181 3.777 3.960 -0.004 0.000 0.225 53 G HA3 -0.181 3.777 3.960 -0.004 0.000 0.225 53 G C 0.032 174.981 174.900 0.082 0.000 1.003 53 G CA -0.231 44.909 45.100 0.067 0.000 0.622 53 G HN 0.521 nan 8.290 nan 0.000 0.507 54 D N 2.246 122.726 120.400 0.133 0.000 2.294 54 D HA 0.575 5.213 4.640 -0.004 0.000 0.250 54 D C -1.429 174.912 176.300 0.067 0.000 1.058 54 D CA -1.127 52.942 54.000 0.115 0.000 0.950 54 D CB 1.541 42.428 40.800 0.146 0.000 1.158 54 D HN 0.216 nan 8.370 nan 0.000 0.453 55 P HA 0.188 nan 4.420 nan 0.000 0.274 55 P C -0.322 176.634 177.300 -0.575 0.000 1.256 55 P CA -0.477 62.495 63.100 -0.213 0.000 0.795 55 P CB 0.612 32.238 31.700 -0.123 0.000 1.038 56 I N 0.100 120.190 120.570 -0.800 0.000 2.683 56 I HA -0.008 4.160 4.170 -0.004 0.000 0.286 56 I C 0.671 176.404 176.117 -0.640 0.000 1.175 56 I CA 0.740 61.280 61.300 -1.268 0.000 1.429 56 I CB -0.645 36.928 38.000 -0.710 0.000 1.371 56 I HN 0.092 nan 8.210 nan 0.000 0.569 57 L N 6.083 126.989 121.223 -0.529 0.000 2.341 57 L HA 0.462 4.800 4.340 -0.004 0.000 0.278 57 L C -1.167 175.429 176.870 -0.458 0.000 1.005 57 L CA -0.637 54.026 54.840 -0.294 0.000 0.818 57 L CB 1.283 43.340 42.059 -0.004 0.000 1.259 57 L HN 0.557 nan 8.230 nan 0.000 0.418 58 W N 1.901 122.975 121.300 -0.377 0.000 2.573 58 W HA 0.534 5.192 4.660 -0.004 0.000 0.326 58 W C -0.933 175.170 176.519 -0.694 0.000 1.049 58 W CA -0.247 56.901 57.345 -0.328 0.000 1.220 58 W CB 1.276 30.665 29.460 -0.118 0.000 1.373 58 W HN 0.306 nan 8.180 nan 0.000 0.507 59 W N 0.784 121.829 121.300 -0.424 0.000 2.902 59 W HA 0.622 5.280 4.660 -0.003 0.000 0.346 59 W C -0.078 176.051 176.519 -0.651 0.000 1.139 59 W CA -1.436 55.550 57.345 -0.598 0.000 1.139 59 W CB 1.723 30.667 29.460 -0.859 0.000 1.439 59 W HN 0.124 nan 8.180 nan 0.000 0.558 60 S N 2.513 118.179 115.700 -0.056 0.000 2.787 60 S HA 0.253 4.721 4.470 -0.004 0.000 0.140 60 S C -2.605 172.052 174.600 0.095 0.000 1.240 60 S CA -0.936 57.285 58.200 0.036 0.000 1.163 60 S CB -0.212 63.005 63.200 0.028 0.000 1.652 60 S HN 0.209 nan 8.310 nan 0.000 0.443 61 P HA 0.260 nan 4.420 nan 0.000 0.269 61 P C -0.829 176.512 177.300 0.068 0.000 1.211 61 P CA 0.285 63.448 63.100 0.105 0.000 0.781 61 P CB 0.519 32.271 31.700 0.087 0.000 0.877 62 D N 0.894 121.325 120.400 0.053 0.000 2.763 62 D HA 0.311 4.949 4.640 -0.004 0.000 0.235 62 D C -2.431 173.888 176.300 0.031 0.000 1.334 62 D CA -1.941 52.087 54.000 0.047 0.000 0.950 62 D CB 1.127 41.960 40.800 0.054 0.000 1.433 62 D HN 0.150 nan 8.370 nan 0.000 0.580 63 P HA 0.265 nan 4.420 nan 0.000 0.274 63 P C -0.680 176.623 177.300 0.006 0.000 1.264 63 P CA -0.513 62.604 63.100 0.029 0.000 0.795 63 P CB 0.677 32.393 31.700 0.027 0.000 1.064 64 R N -0.237 120.262 120.500 -0.001 0.000 2.480 64 R HA 0.616 4.954 4.340 -0.004 0.000 0.306 64 R C -0.835 175.409 176.300 -0.094 0.000 0.958 64 R CA -0.635 55.413 56.100 -0.085 0.000 0.861 64 R CB 0.748 30.953 30.300 -0.160 0.000 1.171 64 R HN 0.583 nan 8.270 nan 0.000 0.445 65 A N 3.124 125.861 122.820 -0.139 0.000 2.425 65 A HA 0.569 4.887 4.320 -0.004 0.000 0.249 65 A C -0.665 176.824 177.584 -0.159 0.000 1.084 65 A CA -0.251 51.710 52.037 -0.126 0.000 0.781 65 A CB 0.777 19.689 19.000 -0.146 0.000 1.019 65 A HN 0.606 nan 8.150 nan 0.000 0.490 66 V N 2.339 122.179 119.914 -0.123 0.000 3.242 66 V HA 0.643 4.761 4.120 -0.004 0.000 0.298 66 V C -1.866 174.116 176.094 -0.187 0.000 1.352 66 V CA -0.629 61.567 62.300 -0.173 0.000 1.052 66 V CB 2.278 33.989 31.823 -0.187 0.000 1.101 66 V HN 1.123 nan 8.190 nan 0.000 0.446 67 L N 3.260 124.341 121.223 -0.237 0.000 2.404 67 L HA 0.651 4.989 4.340 -0.004 0.000 0.272 67 L C -1.490 175.257 176.870 -0.205 0.000 0.980 67 L CA -0.014 54.734 54.840 -0.153 0.000 0.836 67 L CB 1.661 43.689 42.059 -0.051 0.000 1.238 67 L HN 0.720 nan 8.230 nan 0.000 0.408 68 W N 7.821 129.153 121.300 0.053 0.000 2.419 68 W HA 0.305 4.962 4.660 -0.004 0.000 0.312 68 W C -1.274 175.288 176.519 0.072 0.000 1.323 68 W CA -1.120 56.254 57.345 0.049 0.000 1.293 68 W CB 0.478 29.947 29.460 0.014 0.000 1.324 68 W HN 0.539 nan 8.180 nan 0.000 0.512 69 P HA -0.355 nan 4.420 nan 0.000 0.219 69 P C 1.424 178.832 177.300 0.179 0.000 1.161 69 P CA 2.232 65.481 63.100 0.248 0.000 0.909 69 P CB 0.303 32.178 31.700 0.293 0.000 0.793 70 E N -0.452 119.858 120.200 0.184 0.000 2.070 70 E HA -0.135 4.213 4.350 -0.004 0.000 0.197 70 E C 1.897 178.561 176.600 0.106 0.000 1.004 70 E CA 1.443 57.910 56.400 0.111 0.000 0.805 70 E CB -1.180 28.570 29.700 0.084 0.000 0.744 70 E HN 0.280 nan 8.360 nan 0.000 0.451 71 S N 1.171 116.967 115.700 0.160 0.000 2.595 71 S HA -0.038 4.430 4.470 -0.004 0.000 0.235 71 S C 0.840 175.512 174.600 0.120 0.000 0.974 71 S CA -0.241 58.044 58.200 0.141 0.000 0.942 71 S CB -0.367 62.951 63.200 0.197 0.000 0.766 71 S HN 0.130 nan 8.310 nan 0.000 0.536 72 L N 3.900 125.181 121.223 0.097 0.000 2.578 72 L HA 0.007 4.345 4.340 -0.004 0.000 0.279 72 L C 0.280 177.184 176.870 0.056 0.000 1.227 72 L CA 0.560 55.437 54.840 0.061 0.000 0.900 72 L CB -0.058 42.015 42.059 0.024 0.000 1.144 72 L HN 0.259 nan 8.230 nan 0.000 0.496 73 H N 6.998 126.053 119.070 -0.025 0.000 2.594 73 H HA 0.306 4.862 4.556 -0.001 0.000 0.304 73 H C -1.176 174.123 175.328 -0.048 0.000 1.068 73 H CA -0.813 55.217 56.048 -0.030 0.000 1.308 73 H CB 0.751 30.495 29.762 -0.030 0.000 1.409 73 H HN 0.493 nan 8.280 nan 0.000 0.460 74 I N 5.406 125.603 120.570 -0.622 0.000 2.389 74 I HA 0.031 4.199 4.170 -0.004 0.000 0.288 74 I C 0.993 176.778 176.117 -0.552 0.000 0.999 74 I CA -0.481 60.523 61.300 -0.493 0.000 1.129 74 I CB 1.168 39.024 38.000 -0.241 0.000 1.288 74 I HN 0.614 nan 8.210 nan 0.000 0.444 75 S N 6.723 122.165 115.700 -0.430 0.000 2.587 75 S HA 0.190 4.658 4.470 -0.004 0.000 0.260 75 S C 1.245 175.787 174.600 -0.098 0.000 1.353 75 S CA -0.155 57.931 58.200 -0.190 0.000 0.995 75 S CB 0.981 64.148 63.200 -0.054 0.000 0.912 75 S HN 0.626 nan 8.310 nan 0.000 0.568 76 R N 0.493 120.975 120.500 -0.031 0.000 2.092 76 R HA -0.032 4.306 4.340 -0.004 0.000 0.231 76 R C 2.742 179.052 176.300 0.016 0.000 1.119 76 R CA 1.241 57.338 56.100 -0.004 0.000 0.970 76 R CB -0.785 29.523 30.300 0.012 0.000 0.864 76 R HN 0.713 nan 8.270 nan 0.000 0.440 77 S N 0.807 116.518 115.700 0.018 0.000 2.368 77 S HA -0.164 4.304 4.470 -0.004 0.000 0.224 77 S C 1.903 176.548 174.600 0.074 0.000 1.029 77 S CA 1.311 59.537 58.200 0.043 0.000 0.988 77 S CB -0.044 63.172 63.200 0.027 0.000 0.838 77 S HN 0.183 nan 8.310 nan 0.000 0.462 78 M N 1.740 121.354 119.600 0.024 0.000 2.080 78 M HA -0.052 4.426 4.480 -0.004 0.000 0.260 78 M C 1.765 178.150 176.300 0.142 0.000 1.068 78 M CA 1.822 57.143 55.300 0.036 0.000 1.109 78 M CB -0.479 32.079 32.600 -0.070 0.000 1.342 78 M HN 0.152 nan 8.290 nan 0.000 0.405 79 K N -0.587 119.858 120.400 0.074 0.000 2.063 79 K HA -0.175 4.143 4.320 -0.004 0.000 0.208 79 K C 2.187 178.867 176.600 0.134 0.000 1.048 79 K CA 1.729 58.075 56.287 0.099 0.000 0.928 79 K CB -0.356 32.167 32.500 0.038 0.000 0.713 79 K HN 0.430 nan 8.250 nan 0.000 0.442 80 R N 0.130 120.698 120.500 0.113 0.000 2.070 80 R HA -0.145 4.193 4.340 -0.004 0.000 0.233 80 R C 2.298 178.672 176.300 0.124 0.000 1.137 80 R CA 1.677 57.834 56.100 0.095 0.000 0.945 80 R CB -0.556 29.791 30.300 0.080 0.000 0.845 80 R HN 0.180 nan 8.270 nan 0.000 0.430 81 F N 0.862 120.830 119.950 0.030 0.000 2.065 81 F HA -0.309 4.216 4.527 -0.003 0.000 0.298 81 F C 2.445 178.279 175.800 0.056 0.000 1.112 81 F CA 2.215 60.234 58.000 0.031 0.000 1.212 81 F CB -0.370 38.654 39.000 0.039 0.000 0.975 81 F HN 0.107 nan 8.300 nan 0.000 0.476 82 H N 0.228 119.437 119.070 0.231 0.000 2.491 82 H HA -0.087 4.467 4.556 -0.003 0.000 0.290 82 H C 2.222 177.582 175.328 0.053 0.000 1.050 82 H CA 1.641 57.756 56.048 0.112 0.000 1.309 82 H CB -0.235 29.569 29.762 0.071 0.000 1.392 82 H HN 0.320 nan 8.280 nan 0.000 0.554 83 K N 0.485 120.889 120.400 0.007 0.000 2.097 83 K HA -0.076 4.242 4.320 -0.004 0.000 0.206 83 K C 0.385 176.931 176.600 -0.089 0.000 1.049 83 K CA 1.155 57.422 56.287 -0.035 0.000 0.933 83 K CB 0.179 32.678 32.500 -0.001 0.000 0.717 83 K HN 0.243 nan 8.250 nan 0.000 0.442 84 R N 0.865 121.285 120.500 -0.134 0.000 2.989 84 R HA 0.155 4.493 4.340 -0.004 0.000 0.340 84 R C -0.701 175.421 176.300 -0.296 0.000 1.205 84 R CA -0.249 55.744 56.100 -0.178 0.000 1.235 84 R CB 1.302 31.501 30.300 -0.168 0.000 1.394 84 R HN -0.043 nan 8.270 nan 0.000 0.598 85 S N 2.326 117.888 115.700 -0.230 0.000 2.537 85 S HA 0.095 4.562 4.470 -0.004 0.000 0.286 85 S C -1.088 173.375 174.600 -0.229 0.000 1.299 85 S CA -1.038 57.022 58.200 -0.233 0.000 1.067 85 S CB 0.598 63.833 63.200 0.058 0.000 0.864 85 S HN 0.315 nan 8.310 nan 0.000 0.494 86 P HA 0.141 nan 4.420 nan 0.000 0.257 86 P C -0.727 176.382 177.300 -0.319 0.000 1.281 86 P CA 0.192 63.028 63.100 -0.440 0.000 0.826 86 P CB -0.070 31.272 31.700 -0.597 0.000 1.237 87 Y N -0.208 120.212 120.300 0.200 0.000 2.602 87 Y HA 0.594 5.141 4.550 -0.004 0.000 0.330 87 Y C 1.177 177.303 175.900 0.378 0.000 1.114 87 Y CA -1.285 56.977 58.100 0.269 0.000 1.182 87 Y CB 1.675 40.287 38.460 0.253 0.000 1.305 87 Y HN -0.424 nan 8.280 nan 0.000 0.502 88 R N 0.362 121.204 120.500 0.570 0.000 2.750 88 R HA 0.750 5.088 4.340 -0.004 0.000 0.281 88 R C -1.876 174.746 176.300 0.535 0.000 0.972 88 R CA -1.038 55.346 56.100 0.474 0.000 0.912 88 R CB 2.452 32.939 30.300 0.312 0.000 1.187 88 R HN 0.375 nan 8.270 nan 0.000 0.464 89 V N 1.713 121.907 119.914 0.467 0.000 2.531 89 V HA 0.403 4.521 4.120 -0.004 0.000 0.301 89 V C 0.052 176.261 176.094 0.191 0.000 1.034 89 V CA -0.744 61.745 62.300 0.315 0.000 0.865 89 V CB 1.759 33.733 31.823 0.252 0.000 0.995 89 V HN 0.998 nan 8.190 nan 0.000 0.424 90 T N 1.920 116.571 114.554 0.162 0.000 2.940 90 T HA 0.841 5.189 4.350 -0.004 0.000 0.288 90 T C -0.521 174.181 174.700 0.005 0.000 1.045 90 T CA -0.807 61.226 62.100 -0.112 0.000 1.018 90 T CB 2.171 70.742 68.868 -0.495 0.000 1.151 90 T HN 0.596 nan 8.240 nan 0.000 0.529 91 M N 1.965 121.559 119.600 -0.010 0.000 2.321 91 M HA 0.414 4.892 4.480 -0.004 0.000 0.315 91 M C -0.435 176.086 176.300 0.368 0.000 1.052 91 M CA -0.312 55.100 55.300 0.186 0.000 0.936 91 M CB 0.940 33.613 32.600 0.121 0.000 1.639 91 M HN 0.798 nan 8.290 nan 0.000 0.433 92 N N 3.006 121.965 118.700 0.431 0.000 2.686 92 N HA -0.261 4.477 4.740 -0.004 0.000 0.249 92 N C -0.342 175.486 175.510 0.530 0.000 1.082 92 N CA 1.021 54.369 53.050 0.497 0.000 0.725 92 N CB -1.200 37.649 38.487 0.602 0.000 1.009 92 N HN 0.691 nan 8.380 nan 0.000 0.545 93 Y N -0.692 119.787 120.300 0.298 0.000 2.365 93 Y HA 0.259 4.808 4.550 -0.003 0.000 0.293 93 Y C 1.535 177.613 175.900 0.297 0.000 1.119 93 Y CA 1.052 59.326 58.100 0.290 0.000 1.203 93 Y CB 0.554 39.224 38.460 0.350 0.000 1.026 93 Y HN 0.269 nan 8.280 nan 0.000 0.549 94 A N -1.472 121.616 122.820 0.447 0.000 3.399 94 A HA 0.207 4.525 4.320 -0.004 0.000 0.262 94 A C 0.428 178.124 177.584 0.186 0.000 1.145 94 A CA -0.573 51.658 52.037 0.322 0.000 0.916 94 A CB -1.336 17.898 19.000 0.391 0.000 1.360 94 A HN 0.273 nan 8.150 nan 0.000 0.628 95 F N 1.388 121.282 119.950 -0.093 0.000 2.065 95 F HA -0.111 4.414 4.527 -0.004 0.000 0.298 95 F C 2.135 177.853 175.800 -0.135 0.000 1.112 95 F CA 3.078 60.905 58.000 -0.290 0.000 1.212 95 F CB -0.157 38.292 39.000 -0.920 0.000 0.975 95 F HN 0.456 nan 8.300 nan 0.000 0.476 96 G N -0.753 108.206 108.800 0.265 0.000 2.469 96 G HA2 -0.300 3.658 3.960 -0.004 0.000 0.219 96 G HA3 -0.300 3.658 3.960 -0.004 0.000 0.219 96 G C 1.503 176.373 174.900 -0.050 0.000 1.150 96 G CA 0.972 46.197 45.100 0.209 0.000 0.763 96 G HN 0.469 nan 8.290 nan 0.000 0.561 97 Q N -0.373 119.414 119.800 -0.022 0.000 2.079 97 Q HA -0.052 4.286 4.340 -0.004 0.000 0.200 97 Q C 2.925 178.790 176.000 -0.225 0.000 0.974 97 Q CA 1.334 57.086 55.803 -0.084 0.000 0.840 97 Q CB -0.228 28.522 28.738 0.020 0.000 0.898 97 Q HN 0.412 nan 8.270 nan 0.000 0.430 98 V N 1.338 121.132 119.914 -0.200 0.000 2.295 98 V HA -0.265 3.853 4.120 -0.004 0.000 0.246 98 V C 2.177 178.003 176.094 -0.446 0.000 1.049 98 V CA 1.702 63.898 62.300 -0.175 0.000 1.024 98 V CB -0.480 31.303 31.823 -0.066 0.000 0.648 98 V HN 0.417 nan 8.190 nan 0.000 0.447 99 I N -0.399 119.761 120.570 -0.682 0.000 2.454 99 I HA -0.176 3.992 4.170 -0.004 0.000 0.254 99 I C 2.525 178.322 176.117 -0.532 0.000 1.156 99 I CA 1.385 62.186 61.300 -0.831 0.000 1.433 99 I CB -0.084 37.248 38.000 -1.114 0.000 1.082 99 I HN 0.332 nan 8.210 nan 0.000 0.432 100 E N 0.745 120.668 120.200 -0.462 0.000 2.046 100 E HA -0.113 4.235 4.350 -0.004 0.000 0.190 100 E C 2.134 178.432 176.600 -0.503 0.000 0.982 100 E CA 1.283 57.453 56.400 -0.385 0.000 0.800 100 E CB -0.547 28.984 29.700 -0.281 0.000 0.756 100 E HN 0.625 nan 8.360 nan 0.000 0.449 101 G N 0.468 108.770 108.800 -0.830 0.000 2.448 101 G HA2 -0.244 3.714 3.960 -0.004 0.000 0.219 101 G HA3 -0.244 3.714 3.960 -0.004 0.000 0.219 101 G C 1.849 176.147 174.900 -1.004 0.000 1.127 101 G CA 0.930 45.252 45.100 -1.296 0.000 0.766 101 G HN 0.279 nan 8.290 nan 0.000 0.552 102 C N 0.635 119.506 119.300 -0.715 0.000 2.440 102 C HA 0.249 4.707 4.460 -0.004 0.000 0.278 102 C C 3.484 178.365 174.990 -0.181 0.000 1.295 102 C CA 0.788 59.668 59.018 -0.230 0.000 1.738 102 C CB -0.754 26.978 27.740 -0.014 0.000 1.987 102 C HN 0.558 nan 8.230 nan 0.000 0.492 103 A N 0.057 122.725 122.820 -0.254 0.000 1.968 103 A HA -0.073 4.244 4.320 -0.004 0.000 0.217 103 A C 2.208 179.687 177.584 -0.175 0.000 1.169 103 A CA 1.838 53.747 52.037 -0.214 0.000 0.638 103 A CB -0.636 18.213 19.000 -0.253 0.000 0.812 103 A HN 0.513 nan 8.150 nan 0.000 0.446 104 S N 0.415 115.987 115.700 -0.214 0.000 2.378 104 S HA -0.187 4.281 4.470 -0.004 0.000 0.221 104 S C 1.002 175.541 174.600 -0.102 0.000 1.037 104 S CA 1.269 59.371 58.200 -0.164 0.000 1.069 104 S CB -0.625 62.454 63.200 -0.202 0.000 1.006 104 S HN 0.823 nan 8.310 nan 0.000 0.423 105 D N 2.152 122.503 120.400 -0.082 0.000 2.854 105 D HA -0.160 4.478 4.640 -0.004 0.000 0.243 105 D C -0.037 176.242 176.300 -0.034 0.000 1.243 105 D CA 0.431 54.410 54.000 -0.035 0.000 0.883 105 D CB -0.100 40.695 40.800 -0.008 0.000 1.145 105 D HN 0.123 nan 8.370 nan 0.000 0.555 106 R N 3.398 123.880 120.500 -0.029 0.000 4.559 106 R HA 0.058 4.396 4.340 -0.004 0.000 0.177 106 R C 0.226 176.522 176.300 -0.007 0.000 1.875 106 R CA 0.302 56.389 56.100 -0.022 0.000 1.509 106 R CB 0.070 30.357 30.300 -0.022 0.000 1.395 106 R HN 0.639 nan 8.270 nan 0.000 0.830 107 E N -0.753 119.450 120.200 0.004 0.000 3.468 107 E HA 0.013 4.361 4.350 -0.004 0.000 0.226 107 E C 0.798 177.430 176.600 0.053 0.000 1.232 107 E CA -0.704 55.706 56.400 0.017 0.000 1.250 107 E CB 0.074 29.771 29.700 -0.004 0.000 2.946 107 E HN 0.029 nan 8.360 nan 0.000 0.682 108 E N 0.980 121.209 120.200 0.048 0.000 2.152 108 E HA -0.033 4.315 4.350 -0.004 0.000 0.192 108 E C 1.702 178.426 176.600 0.206 0.000 0.983 108 E CA 1.209 57.666 56.400 0.094 0.000 0.818 108 E CB -0.197 29.520 29.700 0.029 0.000 0.758 108 E HN 0.392 nan 8.360 nan 0.000 0.467 109 G N 0.655 109.525 108.800 0.118 0.000 3.181 109 G HA2 -0.045 3.913 3.960 -0.004 0.000 0.219 109 G HA3 -0.045 3.913 3.960 -0.004 0.000 0.219 109 G C 1.235 176.136 174.900 0.002 0.000 1.182 109 G CA 0.200 45.347 45.100 0.077 0.000 0.791 109 G HN 0.121 nan 8.290 nan 0.000 0.537 110 T N 0.598 115.191 114.554 0.065 0.000 2.867 110 T HA -0.129 4.219 4.350 -0.004 0.000 0.268 110 T C 1.938 176.619 174.700 -0.032 0.000 1.057 110 T CA 1.055 63.159 62.100 0.007 0.000 1.136 110 T CB -0.212 68.680 68.868 0.041 0.000 0.874 110 T HN 0.760 nan 8.240 nan 0.000 0.466 111 W N 2.116 123.321 121.300 -0.158 0.000 2.519 111 W HA 0.133 4.791 4.660 -0.003 0.000 0.266 111 W C -0.165 176.157 176.519 -0.329 0.000 1.253 111 W CA -0.039 57.095 57.345 -0.352 0.000 1.274 111 W CB -0.540 28.626 29.460 -0.490 0.000 1.114 111 W HN 0.049 nan 8.180 nan 0.000 0.596 112 I N 4.884 124.877 120.570 -0.961 0.000 2.577 112 I HA -0.018 4.150 4.170 -0.004 0.000 0.299 112 I C 0.937 176.733 176.117 -0.535 0.000 1.157 112 I CA 0.684 61.404 61.300 -0.967 0.000 1.418 112 I CB -1.242 36.390 38.000 -0.613 0.000 1.467 112 I HN -0.145 nan 8.210 nan 0.000 0.624 113 T N 2.387 116.647 114.554 -0.489 0.000 2.912 113 T HA 0.331 4.678 4.350 -0.004 0.000 0.280 113 T C 1.318 175.899 174.700 -0.197 0.000 0.989 113 T CA -0.743 61.194 62.100 -0.272 0.000 0.995 113 T CB 2.100 70.847 68.868 -0.201 0.000 1.077 113 T HN 0.524 nan 8.240 nan 0.000 0.531 114 R N 0.383 120.807 120.500 -0.127 0.000 2.113 114 R HA -0.154 4.184 4.340 -0.004 0.000 0.244 114 R C 2.456 178.724 176.300 -0.054 0.000 1.142 114 R CA 2.223 58.269 56.100 -0.088 0.000 0.953 114 R CB -1.284 28.979 30.300 -0.062 0.000 0.860 114 R HN 0.917 nan 8.270 nan 0.000 0.438 115 G N -0.322 108.461 108.800 -0.028 0.000 2.418 115 G HA2 -0.200 3.758 3.960 -0.004 0.000 0.217 115 G HA3 -0.200 3.758 3.960 -0.004 0.000 0.217 115 G C 1.450 176.376 174.900 0.044 0.000 1.158 115 G CA 0.823 45.938 45.100 0.024 0.000 0.771 115 G HN 0.241 nan 8.290 nan 0.000 0.545 116 V N 0.636 120.537 119.914 -0.022 0.000 2.343 116 V HA -0.179 3.939 4.120 -0.004 0.000 0.247 116 V C 3.044 179.194 176.094 0.093 0.000 1.051 116 V CA 1.515 63.807 62.300 -0.013 0.000 1.036 116 V CB -0.430 31.119 31.823 -0.458 0.000 0.654 116 V HN 0.252 nan 8.190 nan 0.000 0.451 117 V N -0.020 119.872 119.914 -0.036 0.000 2.332 117 V HA -0.289 3.829 4.120 -0.004 0.000 0.248 117 V C 2.393 178.569 176.094 0.136 0.000 1.055 117 V CA 2.185 64.488 62.300 0.005 0.000 1.038 117 V CB -0.699 31.072 31.823 -0.087 0.000 0.651 117 V HN 0.631 nan 8.190 nan 0.000 0.450 118 E N 0.297 120.551 120.200 0.090 0.000 2.072 118 E HA -0.137 4.210 4.350 -0.004 0.000 0.191 118 E C 2.377 179.061 176.600 0.139 0.000 0.985 118 E CA 1.171 57.636 56.400 0.108 0.000 0.801 118 E CB -0.375 29.354 29.700 0.048 0.000 0.750 118 E HN 0.585 nan 8.360 nan 0.000 0.452 119 A N 0.747 123.635 122.820 0.113 0.000 1.908 119 A HA -0.217 4.101 4.320 -0.004 0.000 0.218 119 A C 1.862 179.414 177.584 -0.054 0.000 1.181 119 A CA 1.484 53.537 52.037 0.027 0.000 0.627 119 A CB -0.824 18.180 19.000 0.006 0.000 0.818 119 A HN 0.283 nan 8.150 nan 0.000 0.445 120 Y N -1.684 118.730 120.300 0.189 0.000 2.286 120 Y HA -0.098 4.450 4.550 -0.003 0.000 0.293 120 Y C 2.416 178.427 175.900 0.184 0.000 1.124 120 Y CA 1.533 59.777 58.100 0.240 0.000 1.178 120 Y CB -0.595 38.066 38.460 0.336 0.000 1.010 120 Y HN 0.595 nan 8.280 nan 0.000 0.536 121 H N 0.133 119.377 119.070 0.290 0.000 2.387 121 H HA -0.133 4.421 4.556 -0.003 0.000 0.299 121 H C 2.470 177.780 175.328 -0.031 0.000 1.090 121 H CA 1.763 57.904 56.048 0.154 0.000 1.332 121 H CB 0.062 29.931 29.762 0.179 0.000 1.386 121 H HN 0.081 nan 8.280 nan 0.000 0.516 122 R N -0.177 120.386 120.500 0.104 0.000 2.091 122 R HA -0.128 4.210 4.340 -0.004 0.000 0.238 122 R C 2.224 178.477 176.300 -0.078 0.000 1.136 122 R CA 1.651 57.764 56.100 0.022 0.000 0.959 122 R CB -0.192 30.130 30.300 0.035 0.000 0.856 122 R HN 0.371 nan 8.270 nan 0.000 0.437 123 L N -1.129 120.034 121.223 -0.100 0.000 2.056 123 L HA -0.190 4.148 4.340 -0.004 0.000 0.207 123 L C 2.544 179.248 176.870 -0.276 0.000 1.078 123 L CA 1.526 56.302 54.840 -0.106 0.000 0.749 123 L CB -0.688 41.322 42.059 -0.082 0.000 0.901 123 L HN 0.352 nan 8.230 nan 0.000 0.433 124 H N 0.673 119.372 119.070 -0.617 0.000 2.352 124 H HA -0.184 4.370 4.556 -0.004 0.000 0.299 124 H C 2.034 177.042 175.328 -0.534 0.000 1.097 124 H CA 1.841 57.354 56.048 -0.891 0.000 1.311 124 H CB 0.052 28.692 29.762 -1.870 0.000 1.377 124 H HN 0.302 nan 8.280 nan 0.000 0.504 125 E N -0.163 119.683 120.200 -0.589 0.000 2.268 125 E HA -0.082 4.266 4.350 -0.004 0.000 0.195 125 E C 1.660 178.078 176.600 -0.303 0.000 0.995 125 E CA 0.843 56.987 56.400 -0.426 0.000 0.836 125 E CB 0.115 29.710 29.700 -0.176 0.000 0.763 125 E HN 0.540 nan 8.360 nan 0.000 0.491 126 L N -0.580 120.489 121.223 -0.257 0.000 2.607 126 L HA 0.181 4.519 4.340 -0.004 0.000 0.228 126 L C 1.175 177.823 176.870 -0.369 0.000 1.123 126 L CA 0.278 55.006 54.840 -0.186 0.000 0.890 126 L CB 0.396 42.443 42.059 -0.020 0.000 1.103 126 L HN 0.219 nan 8.230 nan 0.000 0.468 127 G N -0.358 108.166 108.800 -0.461 0.000 2.131 127 G HA2 -0.276 3.682 3.960 -0.004 0.000 0.223 127 G HA3 -0.276 3.682 3.960 -0.004 0.000 0.223 127 G C 0.316 174.811 174.900 -0.674 0.000 0.990 127 G CA 0.366 45.178 45.100 -0.480 0.000 0.671 127 G HN 0.535 nan 8.290 nan 0.000 0.521 128 H N -0.385 118.450 119.070 -0.392 0.000 2.594 128 H HA 0.613 5.167 4.556 -0.004 0.000 0.274 128 H C 1.649 176.502 175.328 -0.793 0.000 0.982 128 H CA 0.646 56.420 56.048 -0.456 0.000 1.228 128 H CB 0.636 30.261 29.762 -0.229 0.000 1.447 128 H HN 0.656 nan 8.280 nan 0.000 0.485 129 A N 2.021 124.504 122.820 -0.561 0.000 2.274 129 A HA 0.400 4.718 4.320 -0.004 0.000 0.309 129 A C -0.716 176.620 177.584 -0.414 0.000 1.226 129 A CA -0.468 51.370 52.037 -0.332 0.000 0.853 129 A CB 0.238 19.252 19.000 0.024 0.000 1.146 129 A HN 0.356 nan 8.150 nan 0.000 0.518 130 H N 0.784 120.047 119.070 0.322 0.000 2.797 130 H HA 0.752 5.305 4.556 -0.004 0.000 0.362 130 H C -0.350 175.350 175.328 0.620 0.000 1.183 130 H CA -0.281 56.026 56.048 0.432 0.000 1.197 130 H CB 2.090 31.959 29.762 0.178 0.000 1.835 130 H HN 0.776 nan 8.280 nan 0.000 0.567 131 S N 0.701 116.784 115.700 0.639 0.000 2.546 131 S HA 0.579 5.047 4.470 -0.004 0.000 0.274 131 S C -1.071 173.702 174.600 0.287 0.000 1.121 131 S CA -0.795 57.634 58.200 0.382 0.000 0.887 131 S CB 1.504 64.812 63.200 0.179 0.000 1.094 131 S HN 0.300 nan 8.310 nan 0.000 0.474 132 I N 2.019 122.677 120.570 0.148 0.000 2.362 132 I HA 0.502 4.670 4.170 -0.004 0.000 0.289 132 I C -0.479 175.634 176.117 -0.007 0.000 0.994 132 I CA -0.370 60.983 61.300 0.088 0.000 1.158 132 I CB 1.470 39.488 38.000 0.031 0.000 1.315 132 I HN 0.702 nan 8.210 nan 0.000 0.451 133 E N 4.660 124.852 120.200 -0.014 0.000 2.191 133 E HA 0.651 4.998 4.350 -0.004 0.000 0.274 133 E C -1.048 175.314 176.600 -0.397 0.000 0.948 133 E CA -0.633 55.622 56.400 -0.241 0.000 0.802 133 E CB 1.942 31.529 29.700 -0.188 0.000 1.137 133 E HN 0.242 nan 8.360 nan 0.000 0.397 134 V N 2.905 122.436 119.914 -0.639 0.000 2.378 134 V HA 0.417 4.535 4.120 -0.004 0.000 0.288 134 V C -1.039 174.676 176.094 -0.633 0.000 1.016 134 V CA -0.910 61.085 62.300 -0.508 0.000 0.840 134 V CB 0.214 31.730 31.823 -0.512 0.000 0.994 134 V HN 0.599 nan 8.190 nan 0.000 0.431 135 W N 3.760 125.079 121.300 0.031 0.000 2.570 135 W HA 0.818 5.476 4.660 -0.003 0.000 0.337 135 W C 0.172 176.837 176.519 0.243 0.000 1.067 135 W CA -0.833 56.572 57.345 0.101 0.000 1.229 135 W CB 1.351 30.876 29.460 0.109 0.000 1.355 135 W HN 0.376 nan 8.180 nan 0.000 0.555 136 R N 2.623 123.402 120.500 0.464 0.000 2.521 136 R HA 0.277 4.615 4.340 -0.004 0.000 0.295 136 R C 0.129 176.608 176.300 0.298 0.000 1.183 136 R CA -0.230 56.124 56.100 0.423 0.000 0.957 136 R CB -0.124 30.438 30.300 0.437 0.000 1.171 136 R HN 0.594 nan 8.270 nan 0.000 0.494 137 E N 1.870 122.213 120.200 0.238 0.000 2.860 137 E HA -0.224 4.123 4.350 -0.004 0.000 0.323 137 E C -0.457 176.249 176.600 0.178 0.000 1.387 137 E CA 1.445 57.941 56.400 0.160 0.000 1.378 137 E CB -0.989 28.791 29.700 0.134 0.000 1.829 137 E HN 0.650 nan 8.360 nan 0.000 0.553 138 D N 1.314 121.814 120.400 0.166 0.000 2.398 138 D HA 0.130 4.768 4.640 -0.004 0.000 0.210 138 D C 0.321 176.819 176.300 0.330 0.000 1.094 138 D CA 0.335 54.422 54.000 0.146 0.000 0.839 138 D CB 0.240 41.082 40.800 0.070 0.000 0.963 138 D HN 0.189 nan 8.370 nan 0.000 0.506 139 E N 0.993 121.406 120.200 0.356 0.000 2.283 139 E HA 0.236 4.584 4.350 -0.004 0.000 0.278 139 E C -0.692 176.143 176.600 0.392 0.000 1.027 139 E CA -0.752 55.857 56.400 0.348 0.000 0.843 139 E CB 0.872 30.697 29.700 0.209 0.000 1.062 139 E HN -0.138 nan 8.360 nan 0.000 0.401 140 L N 6.426 127.773 121.223 0.206 0.000 2.325 140 L HA 0.180 4.518 4.340 -0.004 0.000 0.284 140 L C 0.201 176.989 176.870 -0.136 0.000 1.089 140 L CA 0.113 54.781 54.840 -0.286 0.000 0.836 140 L CB 1.107 42.929 42.059 -0.395 0.000 1.184 140 L HN 0.653 nan 8.230 nan 0.000 0.444 141 V N 2.249 122.016 119.914 -0.244 0.000 3.660 141 V HA 0.773 4.891 4.120 -0.004 0.000 0.276 141 V C 0.765 176.582 176.094 -0.463 0.000 1.317 141 V CA 0.503 62.672 62.300 -0.217 0.000 1.097 141 V CB -0.704 31.012 31.823 -0.178 0.000 0.863 141 V HN 0.929 nan 8.190 nan 0.000 0.438 142 G N -1.924 106.439 108.800 -0.729 0.000 2.328 142 G HA2 0.656 4.614 3.960 -0.004 0.000 0.295 142 G HA3 0.656 4.614 3.960 -0.004 0.000 0.295 142 G C -0.605 173.682 174.900 -1.021 0.000 1.413 142 G CA 0.312 44.615 45.100 -1.328 0.000 0.817 142 G HN 1.188 nan 8.290 nan 0.000 0.546 143 G N -1.313 106.893 108.800 -0.991 0.000 2.325 143 G HA2 0.762 4.720 3.960 -0.004 0.000 0.295 143 G HA3 0.762 4.720 3.960 -0.004 0.000 0.295 143 G C -0.949 173.847 174.900 -0.173 0.000 1.274 143 G CA 0.435 45.297 45.100 -0.397 0.000 0.857 143 G HN 2.030 nan 8.290 nan 0.000 0.499 144 M N -1.252 118.328 119.600 -0.035 0.000 2.643 144 M HA 0.802 5.280 4.480 -0.004 0.000 0.276 144 M C -1.399 174.964 176.300 0.106 0.000 1.200 144 M CA -1.075 54.237 55.300 0.021 0.000 0.863 144 M CB 2.206 34.746 32.600 -0.100 0.000 1.711 144 M HN 1.451 nan 8.290 nan 0.000 0.492 145 Y N -0.750 119.529 120.300 -0.035 0.000 2.615 145 Y HA 1.052 5.600 4.550 -0.003 0.000 0.341 145 Y C -0.598 175.363 175.900 0.100 0.000 1.089 145 Y CA -0.312 57.810 58.100 0.037 0.000 1.049 145 Y CB 1.603 39.917 38.460 -0.244 0.000 1.296 145 Y HN 1.197 nan 8.280 nan 0.000 0.470 146 G N -0.088 108.796 108.800 0.140 0.000 2.428 146 G HA2 0.483 4.441 3.960 -0.004 0.000 0.304 146 G HA3 0.483 4.441 3.960 -0.004 0.000 0.304 146 G C -2.466 172.195 174.900 -0.399 0.000 1.303 146 G CA -0.711 44.144 45.100 -0.408 0.000 0.825 146 G HN 0.772 nan 8.290 nan 0.000 0.484 147 V N 1.026 120.514 119.914 -0.709 0.000 2.384 147 V HA 0.674 4.792 4.120 -0.004 0.000 0.287 147 V C 0.765 176.574 176.094 -0.476 0.000 1.020 147 V CA -0.297 61.690 62.300 -0.522 0.000 0.850 147 V CB 0.920 32.325 31.823 -0.696 0.000 0.987 147 V HN 1.323 nan 8.190 nan 0.000 0.436 148 A N 4.066 126.797 122.820 -0.148 0.000 2.440 148 A HA 0.587 4.905 4.320 -0.004 0.000 0.251 148 A C 0.112 177.806 177.584 0.183 0.000 1.089 148 A CA -0.079 52.080 52.037 0.204 0.000 0.779 148 A CB 0.497 19.677 19.000 0.301 0.000 1.022 148 A HN 0.802 nan 8.150 nan 0.000 0.492 149 Q N 1.306 121.267 119.800 0.269 0.000 3.048 149 Q HA 0.466 4.804 4.340 -0.004 0.000 0.337 149 Q C 0.458 176.609 176.000 0.253 0.000 0.845 149 Q CA 0.959 56.894 55.803 0.220 0.000 0.942 149 Q CB 0.300 29.150 28.738 0.186 0.000 1.454 149 Q HN 1.984 nan 8.270 nan 0.000 0.392 150 G N 0.055 109.028 108.800 0.289 0.000 2.514 150 G HA2 -0.384 3.574 3.960 -0.004 0.000 0.265 150 G HA3 -0.384 3.574 3.960 -0.004 0.000 0.265 150 G C 0.679 175.749 174.900 0.284 0.000 1.150 150 G CA 0.307 45.554 45.100 0.245 0.000 0.959 150 G HN 0.767 nan 8.290 nan 0.000 0.556 151 T N -0.756 113.908 114.554 0.184 0.000 3.129 151 T HA 0.497 4.845 4.350 -0.004 0.000 0.251 151 T C 0.771 175.640 174.700 0.282 0.000 1.117 151 T CA 1.380 63.548 62.100 0.114 0.000 1.034 151 T CB 0.165 69.019 68.868 -0.023 0.000 0.968 151 T HN 1.361 nan 8.240 nan 0.000 0.526 152 L N 0.799 122.241 121.223 0.365 0.000 2.322 152 L HA 0.771 5.108 4.340 -0.004 0.000 0.279 152 L C -1.266 175.939 176.870 0.559 0.000 1.036 152 L CA -1.554 53.533 54.840 0.412 0.000 0.807 152 L CB 1.413 43.614 42.059 0.237 0.000 1.226 152 L HN 0.185 nan 8.230 nan 0.000 0.433 153 F N 4.619 124.787 119.950 0.363 0.000 2.493 153 F HA 0.487 5.011 4.527 -0.004 0.000 0.329 153 F C -0.677 175.180 175.800 0.095 0.000 1.126 153 F CA -0.733 57.404 58.000 0.229 0.000 0.937 153 F CB 1.113 40.155 39.000 0.070 0.000 1.146 153 F HN 0.515 nan 8.300 nan 0.000 0.442 154 C N 5.394 124.385 119.300 -0.514 0.000 2.200 154 C HA 0.551 5.009 4.460 -0.004 0.000 0.328 154 C C 1.067 175.696 174.990 -0.603 0.000 1.148 154 C CA -0.944 57.861 59.018 -0.355 0.000 1.624 154 C CB -0.749 26.913 27.740 -0.131 0.000 2.167 154 C HN 1.032 nan 8.230 nan 0.000 0.484 155 G N 2.540 111.130 108.800 -0.350 0.000 2.340 155 G HA2 0.213 4.171 3.960 -0.004 0.000 0.245 155 G HA3 0.213 4.171 3.960 -0.004 0.000 0.245 155 G C 0.670 175.343 174.900 -0.378 0.000 1.294 155 G CA 0.088 45.015 45.100 -0.288 0.000 0.896 155 G HN 0.765 nan 8.290 nan 0.000 0.522 156 E N 0.058 119.942 120.200 -0.526 0.000 2.244 156 E HA 0.149 4.497 4.350 -0.004 0.000 0.196 156 E C 0.930 177.226 176.600 -0.507 0.000 0.939 156 E CA 0.664 56.700 56.400 -0.607 0.000 0.884 156 E CB 0.882 29.942 29.700 -1.066 0.000 0.850 156 E HN 0.470 nan 8.360 nan 0.000 0.481 157 S N -0.851 114.513 115.700 -0.559 0.000 2.688 157 S HA 0.490 4.958 4.470 -0.004 0.000 0.269 157 S C -1.739 172.791 174.600 -0.117 0.000 1.060 157 S CA -0.668 57.395 58.200 -0.228 0.000 0.844 157 S CB 0.339 63.518 63.200 -0.034 0.000 1.095 157 S HN 0.112 nan 8.310 nan 0.000 0.466 158 M N 1.847 121.447 119.600 -0.000 0.000 2.569 158 M HA 0.862 5.340 4.480 -0.004 0.000 0.279 158 M C -1.253 175.118 176.300 0.118 0.000 1.253 158 M CA -0.922 54.404 55.300 0.043 0.000 0.867 158 M CB 1.820 34.393 32.600 -0.045 0.000 1.727 158 M HN 0.712 nan 8.290 nan 0.000 0.467 159 F N -0.950 118.935 119.950 -0.108 0.000 2.643 159 F HA 0.934 5.459 4.527 -0.003 0.000 0.314 159 F C -1.291 174.425 175.800 -0.139 0.000 1.096 159 F CA -0.780 57.148 58.000 -0.121 0.000 0.953 159 F CB 1.946 40.879 39.000 -0.110 0.000 1.345 159 F HN 0.790 nan 8.300 nan 0.000 0.468 160 S N 1.107 116.676 115.700 -0.217 0.000 2.603 160 S HA 0.497 4.965 4.470 -0.004 0.000 0.274 160 S C -0.457 174.077 174.600 -0.109 0.000 1.168 160 S CA -0.750 57.251 58.200 -0.332 0.000 0.963 160 S CB 1.369 64.415 63.200 -0.258 0.000 1.078 160 S HN 0.765 nan 8.310 nan 0.000 0.477 161 R N 2.818 123.252 120.500 -0.111 0.000 2.472 161 R HA 0.385 4.723 4.340 -0.004 0.000 0.279 161 R C -0.274 176.015 176.300 -0.018 0.000 0.953 161 R CA 0.122 56.219 56.100 -0.005 0.000 1.088 161 R CB 0.200 30.539 30.300 0.064 0.000 1.197 161 R HN 0.716 nan 8.270 nan 0.000 0.536 162 M N 0.585 120.148 119.600 -0.061 0.000 2.284 162 M HA 0.179 4.657 4.480 -0.004 0.000 0.281 162 M C -1.246 175.061 176.300 0.012 0.000 1.083 162 M CA -0.682 54.627 55.300 0.015 0.000 0.965 162 M CB 2.353 35.010 32.600 0.094 0.000 1.717 162 M HN -0.188 nan 8.290 nan 0.000 0.479 163 E N 3.256 123.480 120.200 0.040 0.000 3.311 163 E HA -0.163 4.185 4.350 -0.004 0.000 0.264 163 E C -0.019 176.545 176.600 -0.060 0.000 0.875 163 E CA 1.992 58.383 56.400 -0.015 0.000 0.969 163 E CB -0.305 29.396 29.700 0.001 0.000 0.910 163 E HN 0.790 nan 8.360 nan 0.000 0.548 164 N N 1.199 119.796 118.700 -0.171 0.000 2.863 164 N HA -0.363 4.375 4.740 -0.004 0.000 0.245 164 N C 0.720 176.154 175.510 -0.126 0.000 1.001 164 N CA 0.350 53.258 53.050 -0.236 0.000 0.901 164 N CB -0.888 37.204 38.487 -0.658 0.000 1.124 164 N HN 0.518 nan 8.380 nan 0.000 0.582 165 A N 0.381 123.068 122.820 -0.221 0.000 1.858 165 A HA -0.143 4.174 4.320 -0.004 0.000 0.216 165 A C 2.187 179.549 177.584 -0.370 0.000 1.190 165 A CA 2.198 53.935 52.037 -0.500 0.000 0.617 165 A CB -0.785 17.845 19.000 -0.616 0.000 0.827 165 A HN 0.409 nan 8.150 nan 0.000 0.443 166 S N -0.300 115.214 115.700 -0.311 0.000 2.365 166 S HA -0.239 4.228 4.470 -0.004 0.000 0.225 166 S C 2.026 176.526 174.600 -0.166 0.000 1.039 166 S CA 2.044 60.099 58.200 -0.243 0.000 1.033 166 S CB -0.360 62.741 63.200 -0.166 0.000 0.887 166 S HN 0.603 nan 8.310 nan 0.000 0.447 167 K N -0.147 120.167 120.400 -0.143 0.000 2.097 167 K HA -0.027 4.291 4.320 -0.004 0.000 0.205 167 K C 2.286 178.782 176.600 -0.175 0.000 1.050 167 K CA 1.581 57.782 56.287 -0.143 0.000 0.938 167 K CB -0.498 31.913 32.500 -0.149 0.000 0.718 167 K HN 0.385 nan 8.250 nan 0.000 0.442 168 T N 1.444 115.903 114.554 -0.159 0.000 2.652 168 T HA -0.195 4.153 4.350 -0.004 0.000 0.267 168 T C 2.069 176.656 174.700 -0.189 0.000 1.039 168 T CA 1.574 63.572 62.100 -0.170 0.000 1.153 168 T CB -0.361 68.519 68.868 0.020 0.000 0.863 168 T HN 0.334 nan 8.240 nan 0.000 0.428 169 A N 1.383 124.103 122.820 -0.167 0.000 1.873 169 A HA -0.096 4.222 4.320 -0.004 0.000 0.218 169 A C 2.274 179.813 177.584 -0.075 0.000 1.193 169 A CA 1.611 53.572 52.037 -0.128 0.000 0.629 169 A CB -0.978 17.913 19.000 -0.182 0.000 0.826 169 A HN 0.382 nan 8.150 nan 0.000 0.447 170 L N -0.447 120.715 121.223 -0.102 0.000 2.046 170 L HA -0.086 4.252 4.340 -0.004 0.000 0.208 170 L C 2.305 179.158 176.870 -0.028 0.000 1.077 170 L CA 1.867 56.672 54.840 -0.057 0.000 0.747 170 L CB -0.684 41.322 42.059 -0.087 0.000 0.896 170 L HN 0.519 nan 8.230 nan 0.000 0.432 171 L N -1.477 119.671 121.223 -0.125 0.000 1.943 171 L HA -0.249 4.089 4.340 -0.004 0.000 0.215 171 L C 2.360 179.146 176.870 -0.141 0.000 1.074 171 L CA 2.020 56.751 54.840 -0.181 0.000 0.759 171 L CB -0.407 41.431 42.059 -0.367 0.000 0.888 171 L HN 0.091 nan 8.230 nan 0.000 0.433 172 V N -0.069 119.739 119.914 -0.176 0.000 2.392 172 V HA -0.338 3.780 4.120 -0.004 0.000 0.249 172 V C 2.223 178.306 176.094 -0.018 0.000 1.059 172 V CA 2.157 64.400 62.300 -0.095 0.000 1.051 172 V CB -0.887 30.887 31.823 -0.082 0.000 0.658 172 V HN 0.548 nan 8.190 nan 0.000 0.455 173 F N 0.707 120.591 119.950 -0.109 0.000 2.026 173 F HA -0.272 4.252 4.527 -0.005 0.000 0.296 173 F C 2.550 178.328 175.800 -0.038 0.000 1.133 173 F CA 1.939 59.875 58.000 -0.107 0.000 1.188 173 F CB -1.022 37.859 39.000 -0.199 0.000 0.968 173 F HN 0.137 nan 8.300 nan 0.000 0.476 174 C N 0.972 120.249 119.300 -0.039 0.000 2.385 174 C HA -0.259 4.199 4.460 -0.004 0.000 0.275 174 C C 2.752 177.700 174.990 -0.070 0.000 1.199 174 C CA 1.735 60.734 59.018 -0.033 0.000 1.782 174 C CB -1.338 26.438 27.740 0.061 0.000 2.068 174 C HN 0.592 nan 8.230 nan 0.000 0.471 175 E N -0.147 120.003 120.200 -0.083 0.000 2.031 175 E HA -0.182 4.165 4.350 -0.004 0.000 0.193 175 E C 2.308 178.832 176.600 -0.127 0.000 0.994 175 E CA 0.878 57.230 56.400 -0.080 0.000 0.800 175 E CB -0.249 29.421 29.700 -0.051 0.000 0.752 175 E HN 0.595 nan 8.360 nan 0.000 0.447 176 E N 0.363 120.473 120.200 -0.151 0.000 2.051 176 E HA -0.176 4.172 4.350 -0.004 0.000 0.192 176 E C 1.915 178.464 176.600 -0.084 0.000 0.991 176 E CA 0.670 56.975 56.400 -0.158 0.000 0.799 176 E CB -0.286 29.330 29.700 -0.141 0.000 0.748 176 E HN 0.145 nan 8.360 nan 0.000 0.449 177 F N 1.677 121.375 119.950 -0.420 0.000 2.043 177 F HA -0.225 4.299 4.527 -0.005 0.000 0.297 177 F C 2.317 177.949 175.800 -0.280 0.000 1.121 177 F CA 1.352 59.076 58.000 -0.460 0.000 1.199 177 F CB -0.582 37.959 39.000 -0.766 0.000 0.968 177 F HN -0.057 nan 8.300 nan 0.000 0.478 178 I N -0.323 120.156 120.570 -0.152 0.000 2.226 178 I HA -0.257 3.911 4.170 -0.004 0.000 0.245 178 I C 2.623 178.622 176.117 -0.196 0.000 1.100 178 I CA 1.501 62.693 61.300 -0.180 0.000 1.374 178 I CB -1.393 36.563 38.000 -0.073 0.000 1.057 178 I HN 0.273 nan 8.210 nan 0.000 0.413 179 G N -0.857 107.812 108.800 -0.219 0.000 2.535 179 G HA2 -0.203 3.755 3.960 -0.004 0.000 0.218 179 G HA3 -0.203 3.755 3.960 -0.004 0.000 0.218 179 G C 1.121 175.873 174.900 -0.246 0.000 1.122 179 G CA 0.621 45.564 45.100 -0.261 0.000 0.769 179 G HN 0.560 nan 8.290 nan 0.000 0.549 180 H N -1.920 117.055 119.070 -0.158 0.000 2.923 180 H HA 0.354 4.908 4.556 -0.003 0.000 0.268 180 H C 1.736 176.868 175.328 -0.328 0.000 1.148 180 H CA -0.044 55.883 56.048 -0.201 0.000 1.146 180 H CB 1.059 30.734 29.762 -0.145 0.000 1.607 180 H HN 0.356 nan 8.280 nan 0.000 0.566 181 G N 0.446 109.092 108.800 -0.257 0.000 2.255 181 G HA2 -0.231 3.727 3.960 -0.004 0.000 0.196 181 G HA3 -0.231 3.727 3.960 -0.004 0.000 0.196 181 G C 0.828 175.425 174.900 -0.506 0.000 0.998 181 G CA -0.379 44.540 45.100 -0.301 0.000 0.656 181 G HN 0.558 nan 8.290 nan 0.000 0.490 182 G N 0.405 108.625 108.800 -0.966 0.000 2.150 182 G HA2 0.374 4.332 3.960 -0.004 0.000 0.250 182 G HA3 0.374 4.332 3.960 -0.004 0.000 0.250 182 G C 0.715 175.091 174.900 -0.873 0.000 1.179 182 G CA 0.961 44.910 45.100 -1.918 0.000 0.934 182 G HN 0.343 nan 8.290 nan 0.000 0.453 183 K N 1.215 121.381 120.400 -0.391 0.000 2.244 183 K HA 0.404 4.722 4.320 -0.004 0.000 0.200 183 K C 0.855 177.525 176.600 0.116 0.000 1.052 183 K CA 0.452 56.724 56.287 -0.026 0.000 0.980 183 K CB 0.235 32.754 32.500 0.032 0.000 0.838 183 K HN 0.465 nan 8.250 nan 0.000 0.481 184 L N 0.082 121.422 121.223 0.195 0.000 2.491 184 L HA 0.439 4.777 4.340 -0.004 0.000 0.254 184 L C -1.600 175.444 176.870 0.291 0.000 1.048 184 L CA -1.040 53.820 54.840 0.032 0.000 0.855 184 L CB 2.131 44.031 42.059 -0.266 0.000 1.466 184 L HN -0.128 nan 8.230 nan 0.000 0.409 185 I N 1.588 122.202 120.570 0.073 0.000 2.497 185 I HA 0.207 4.375 4.170 -0.004 0.000 0.284 185 I C -0.841 175.274 176.117 -0.004 0.000 1.060 185 I CA -0.523 60.850 61.300 0.121 0.000 1.071 185 I CB 1.446 39.503 38.000 0.094 0.000 1.216 185 I HN 0.463 nan 8.210 nan 0.000 0.442 186 D N 4.875 125.290 120.400 0.025 0.000 2.317 186 D HA 0.205 4.843 4.640 -0.004 0.000 0.252 186 D C 0.430 176.625 176.300 -0.176 0.000 1.174 186 D CA -0.043 53.912 54.000 -0.075 0.000 0.866 186 D CB 1.168 41.963 40.800 -0.008 0.000 1.127 186 D HN 0.523 nan 8.370 nan 0.000 0.467 187 C N 3.337 122.505 119.300 -0.220 0.000 2.974 187 C HA 0.167 4.625 4.460 -0.004 0.000 0.282 187 C C 1.533 176.323 174.990 -0.333 0.000 1.292 187 C CA -0.180 58.695 59.018 -0.239 0.000 1.710 187 C CB -1.806 25.828 27.740 -0.177 0.000 2.036 187 C HN 0.848 nan 8.230 nan 0.000 0.629 188 Q N -0.398 119.158 119.800 -0.407 0.000 1.920 188 Q HA -0.300 4.038 4.340 -0.004 0.000 0.239 188 Q C 0.198 176.005 176.000 -0.321 0.000 2.739 188 Q CA 2.008 57.518 55.803 -0.488 0.000 0.504 188 Q CB -1.391 26.813 28.738 -0.889 0.000 0.891 188 Q HN 0.435 nan 8.270 nan 0.000 0.524 189 V N 1.477 121.190 119.914 -0.334 0.000 2.495 189 V HA 0.393 4.511 4.120 -0.004 0.000 0.298 189 V C -0.144 175.819 176.094 -0.218 0.000 1.031 189 V CA -0.702 61.443 62.300 -0.259 0.000 0.871 189 V CB 1.690 33.321 31.823 -0.321 0.000 0.988 189 V HN 0.336 nan 8.190 nan 0.000 0.432 190 L N 5.493 126.620 121.223 -0.160 0.000 2.426 190 L HA 0.432 4.770 4.340 -0.004 0.000 0.271 190 L C -0.188 176.610 176.870 -0.120 0.000 1.169 190 L CA 0.619 55.385 54.840 -0.124 0.000 0.836 190 L CB 0.850 42.856 42.059 -0.088 0.000 1.112 190 L HN 1.107 nan 8.230 nan 0.000 0.465 191 N N 1.119 119.761 118.700 -0.096 0.000 2.853 191 N HA 0.279 5.017 4.740 -0.004 0.000 0.258 191 N C 0.061 175.545 175.510 -0.043 0.000 1.444 191 N CA -0.677 52.327 53.050 -0.077 0.000 0.837 191 N CB 0.577 39.013 38.487 -0.086 0.000 1.489 191 N HN 0.401 nan 8.380 nan 0.000 0.529 192 D N -0.790 119.594 120.400 -0.026 0.000 2.133 192 D HA -0.236 4.402 4.640 -0.004 0.000 0.195 192 D C 1.125 177.434 176.300 0.016 0.000 0.997 192 D CA 1.889 55.883 54.000 -0.010 0.000 0.840 192 D CB -0.326 40.472 40.800 -0.005 0.000 0.947 192 D HN 0.687 nan 8.370 nan 0.000 0.452 193 H N 0.716 119.746 119.070 -0.066 0.000 2.270 193 H HA -0.114 4.440 4.556 -0.002 0.000 0.299 193 H C 2.164 177.455 175.328 -0.061 0.000 1.077 193 H CA 3.036 59.046 56.048 -0.063 0.000 1.294 193 H CB -0.460 29.258 29.762 -0.073 0.000 1.371 193 H HN 0.157 nan 8.280 nan 0.000 0.491 194 T N -1.704 112.810 114.554 -0.068 0.000 2.759 194 T HA -0.147 4.201 4.350 -0.004 0.000 0.269 194 T C 2.253 176.885 174.700 -0.113 0.000 1.042 194 T CA 1.486 63.510 62.100 -0.127 0.000 1.140 194 T CB -0.923 67.890 68.868 -0.091 0.000 0.864 194 T HN 0.427 nan 8.240 nan 0.000 0.455 195 A N 2.427 125.198 122.820 -0.083 0.000 1.877 195 A HA -0.023 4.295 4.320 -0.004 0.000 0.216 195 A C 2.694 180.228 177.584 -0.082 0.000 1.186 195 A CA 2.220 54.216 52.037 -0.069 0.000 0.620 195 A CB -1.209 17.757 19.000 -0.056 0.000 0.822 195 A HN 0.777 nan 8.150 nan 0.000 0.443 196 S N -0.746 114.898 115.700 -0.094 0.000 2.584 196 S HA 0.079 4.547 4.470 -0.004 0.000 0.240 196 S C 1.302 175.863 174.600 -0.065 0.000 0.975 196 S CA 1.164 59.308 58.200 -0.093 0.000 0.949 196 S CB -0.394 62.764 63.200 -0.070 0.000 0.761 196 S HN 0.445 nan 8.310 nan 0.000 0.536 197 L N -0.271 120.896 121.223 -0.094 0.000 2.701 197 L HA 0.412 4.750 4.340 -0.004 0.000 0.238 197 L C 1.715 178.592 176.870 0.011 0.000 1.106 197 L CA 0.410 55.219 54.840 -0.052 0.000 0.898 197 L CB 0.244 42.201 42.059 -0.170 0.000 1.188 197 L HN 0.567 nan 8.230 nan 0.000 0.508 198 G N 0.208 109.005 108.800 -0.005 0.000 2.192 198 G HA2 -0.169 3.788 3.960 -0.004 0.000 0.193 198 G HA3 -0.169 3.788 3.960 -0.004 0.000 0.193 198 G C 0.362 175.281 174.900 0.031 0.000 0.999 198 G CA -0.162 44.959 45.100 0.035 0.000 0.659 198 G HN 0.352 nan 8.290 nan 0.000 0.503 199 A N -0.076 122.735 122.820 -0.015 0.000 2.477 199 A HA 0.616 4.934 4.320 -0.004 0.000 0.246 199 A C 0.974 178.557 177.584 -0.002 0.000 1.078 199 A CA 0.775 52.795 52.037 -0.028 0.000 0.770 199 A CB -0.102 18.857 19.000 -0.069 0.000 1.011 199 A HN 2.053 nan 8.150 nan 0.000 0.494 200 C N 1.256 120.569 119.300 0.022 0.000 2.994 200 C HA 0.782 5.239 4.460 -0.004 0.000 0.305 200 C C -0.457 174.563 174.990 0.050 0.000 1.251 200 C CA -0.936 58.114 59.018 0.053 0.000 1.478 200 C CB 0.659 28.473 27.740 0.123 0.000 1.922 200 C HN 0.902 nan 8.230 nan 0.000 0.472 201 E N 1.454 121.682 120.200 0.047 0.000 2.349 201 E HA 0.696 5.044 4.350 -0.004 0.000 0.265 201 E C -0.322 176.341 176.600 0.105 0.000 1.064 201 E CA -0.300 56.128 56.400 0.047 0.000 0.886 201 E CB 1.545 31.259 29.700 0.023 0.000 1.036 201 E HN 0.797 nan 8.360 nan 0.000 0.413 202 I N -2.312 118.329 120.570 0.118 0.000 2.918 202 I HA 0.453 4.621 4.170 -0.004 0.000 0.301 202 I C -2.964 173.239 176.117 0.143 0.000 1.312 202 I CA -3.069 58.336 61.300 0.176 0.000 1.007 202 I CB 2.441 40.625 38.000 0.307 0.000 1.281 202 I HN 0.154 nan 8.210 nan 0.000 0.440 203 P HA 0.131 nan 4.420 nan 0.000 0.265 203 P C 0.386 177.762 177.300 0.126 0.000 1.193 203 P CA -0.135 63.024 63.100 0.098 0.000 0.765 203 P CB 0.703 32.446 31.700 0.071 0.000 0.823 204 R N 4.527 125.096 120.500 0.116 0.000 2.113 204 R HA -0.273 4.065 4.340 -0.004 0.000 0.244 204 R C 2.033 178.421 176.300 0.147 0.000 1.142 204 R CA 2.090 58.283 56.100 0.156 0.000 0.953 204 R CB -0.308 30.061 30.300 0.115 0.000 0.860 204 R HN 0.352 nan 8.270 nan 0.000 0.438 205 R N 0.247 120.795 120.500 0.080 0.000 2.133 205 R HA -0.170 4.168 4.340 -0.004 0.000 0.247 205 R C 1.474 177.769 176.300 -0.008 0.000 1.151 205 R CA 2.319 58.440 56.100 0.035 0.000 0.971 205 R CB -0.210 30.100 30.300 0.017 0.000 0.866 205 R HN 0.399 nan 8.270 nan 0.000 0.447 206 D N -0.971 119.423 120.400 -0.010 0.000 2.183 206 D HA -0.146 4.492 4.640 -0.004 0.000 0.205 206 D C 1.540 177.740 176.300 -0.166 0.000 0.962 206 D CA 0.855 54.753 54.000 -0.169 0.000 0.849 206 D CB -0.166 40.558 40.800 -0.127 0.000 0.978 206 D HN 0.287 nan 8.370 nan 0.000 0.488 207 Y N 2.186 122.511 120.300 0.041 0.000 2.224 207 Y HA -0.135 4.412 4.550 -0.004 0.000 0.289 207 Y C 2.129 178.106 175.900 0.127 0.000 1.146 207 Y CA 1.147 59.357 58.100 0.182 0.000 1.182 207 Y CB -0.383 38.165 38.460 0.147 0.000 0.983 207 Y HN -0.120 nan 8.280 nan 0.000 0.524 208 L N -0.086 121.106 121.223 -0.053 0.000 2.141 208 L HA -0.202 4.136 4.340 -0.004 0.000 0.209 208 L C 2.250 179.045 176.870 -0.126 0.000 1.094 208 L CA 1.021 55.796 54.840 -0.107 0.000 0.763 208 L CB -0.663 41.404 42.059 0.014 0.000 0.908 208 L HN 0.255 nan 8.230 nan 0.000 0.437 209 N N -0.013 118.603 118.700 -0.140 0.000 2.080 209 N HA -0.191 4.547 4.740 -0.004 0.000 0.189 209 N C 1.939 177.408 175.510 -0.069 0.000 1.036 209 N CA 1.518 54.487 53.050 -0.136 0.000 0.846 209 N CB -0.418 37.927 38.487 -0.235 0.000 1.015 209 N HN 0.348 nan 8.380 nan 0.000 0.423 210 Y N 1.452 121.719 120.300 -0.055 0.000 2.114 210 Y HA -0.208 4.339 4.550 -0.005 0.000 0.282 210 Y C 2.593 178.420 175.900 -0.122 0.000 1.165 210 Y CA 0.407 58.478 58.100 -0.047 0.000 1.148 210 Y CB -0.248 38.193 38.460 -0.031 0.000 0.972 210 Y HN 0.101 nan 8.280 nan 0.000 0.504 211 L N 0.990 122.135 121.223 -0.130 0.000 1.970 211 L HA -0.332 4.006 4.340 -0.004 0.000 0.212 211 L C 1.955 178.806 176.870 -0.031 0.000 1.071 211 L CA 2.346 57.081 54.840 -0.175 0.000 0.751 211 L CB -1.161 40.675 42.059 -0.370 0.000 0.889 211 L HN 0.426 nan 8.230 nan 0.000 0.432 212 N N -1.173 117.510 118.700 -0.029 0.000 2.137 212 N HA -0.309 4.429 4.740 -0.004 0.000 0.190 212 N C 1.877 177.409 175.510 0.037 0.000 1.017 212 N CA 1.568 54.624 53.050 0.009 0.000 0.859 212 N CB 0.109 38.597 38.487 0.002 0.000 1.002 212 N HN 0.399 nan 8.380 nan 0.000 0.428 213 Q N 0.418 120.250 119.800 0.054 0.000 1.994 213 Q HA 0.063 4.401 4.340 -0.004 0.000 0.198 213 Q C 2.006 178.054 176.000 0.080 0.000 0.976 213 Q CA 1.473 57.321 55.803 0.074 0.000 0.828 213 Q CB -0.040 28.762 28.738 0.107 0.000 0.894 213 Q HN 0.393 nan 8.270 nan 0.000 0.432 214 M N 0.359 120.015 119.600 0.093 0.000 2.374 214 M HA -0.120 4.358 4.480 -0.004 0.000 0.264 214 M C 1.773 178.136 176.300 0.105 0.000 1.067 214 M CA 1.310 56.668 55.300 0.096 0.000 1.103 214 M CB -0.161 32.502 32.600 0.106 0.000 1.402 214 M HN 0.178 nan 8.290 nan 0.000 0.444 215 R N 0.695 121.253 120.500 0.097 0.000 2.285 215 R HA -0.061 4.277 4.340 -0.004 0.000 0.213 215 R C 1.191 177.556 176.300 0.107 0.000 1.068 215 R CA 0.994 57.162 56.100 0.113 0.000 1.004 215 R CB -0.474 29.884 30.300 0.096 0.000 0.873 215 R HN 0.394 nan 8.270 nan 0.000 0.467 216 L N 0.743 122.019 121.223 0.088 0.000 2.693 216 L HA 0.314 4.651 4.340 -0.004 0.000 0.235 216 L C 1.158 178.073 176.870 0.074 0.000 1.127 216 L CA -0.243 54.644 54.840 0.078 0.000 0.914 216 L CB 0.570 42.666 42.059 0.062 0.000 1.193 216 L HN 0.226 nan 8.230 nan 0.000 0.502 217 G N 1.108 109.953 108.800 0.076 0.000 2.563 217 G HA2 0.549 4.507 3.960 -0.004 0.000 0.283 217 G HA3 0.549 4.507 3.960 -0.004 0.000 0.283 217 G C -0.391 174.548 174.900 0.065 0.000 1.309 217 G CA -0.365 44.768 45.100 0.056 0.000 1.022 217 G HN 0.330 nan 8.290 nan 0.000 0.501 218 R N -1.752 118.766 120.500 0.031 0.000 2.692 218 R HA 0.641 4.979 4.340 -0.004 0.000 0.269 218 R C -1.464 174.809 176.300 -0.045 0.000 1.030 218 R CA -0.941 55.180 56.100 0.034 0.000 0.882 218 R CB 1.040 31.372 30.300 0.054 0.000 1.250 218 R HN 0.390 nan 8.270 nan 0.000 0.465 219 L N 0.240 121.421 121.223 -0.071 0.000 2.286 219 L HA 0.661 4.999 4.340 -0.004 0.000 0.265 219 L C -2.179 174.631 176.870 -0.098 0.000 1.012 219 L CA -2.858 51.852 54.840 -0.217 0.000 0.818 219 L CB 1.630 43.331 42.059 -0.596 0.000 1.337 219 L HN 0.444 nan 8.230 nan 0.000 0.438 220 P HA -0.010 nan 4.420 nan 0.000 0.264 220 P C -0.083 177.237 177.300 0.034 0.000 1.179 220 P CA 0.107 63.163 63.100 -0.073 0.000 0.763 220 P CB 0.366 31.953 31.700 -0.188 0.000 0.806 221 N N 2.608 121.335 118.700 0.044 0.000 2.061 221 N HA -0.186 4.552 4.740 -0.004 0.000 0.193 221 N C 1.106 176.686 175.510 0.116 0.000 1.030 221 N CA 1.832 54.937 53.050 0.091 0.000 0.856 221 N CB -0.869 37.657 38.487 0.065 0.000 1.023 221 N HN 0.565 nan 8.380 nan 0.000 0.424 222 N N 0.448 119.187 118.700 0.066 0.000 2.512 222 N HA -0.092 4.646 4.740 -0.004 0.000 0.183 222 N C 1.426 176.954 175.510 0.030 0.000 1.073 222 N CA 0.101 53.184 53.050 0.055 0.000 0.911 222 N CB -0.968 37.529 38.487 0.016 0.000 0.964 222 N HN 0.234 nan 8.380 nan 0.000 0.447 223 F N 0.348 120.221 119.950 -0.128 0.000 2.085 223 F HA -0.179 4.345 4.527 -0.004 0.000 0.299 223 F C 0.911 176.539 175.800 -0.286 0.000 1.096 223 F CA 1.585 59.417 58.000 -0.279 0.000 1.227 223 F CB -0.238 38.487 39.000 -0.458 0.000 0.983 223 F HN 0.072 nan 8.300 nan 0.000 0.482 224 W N -0.221 121.129 121.300 0.084 0.000 3.330 224 W HA 0.325 4.982 4.660 -0.004 0.000 0.348 224 W C -0.087 176.452 176.519 0.033 0.000 1.205 224 W CA -0.396 56.930 57.345 -0.031 0.000 1.841 224 W CB -0.252 29.149 29.460 -0.098 0.000 1.084 224 W HN -0.409 nan 8.180 nan 0.000 0.665 225 V N 3.277 123.309 119.914 0.197 0.000 2.521 225 V HA 0.066 4.184 4.120 -0.004 0.000 0.286 225 V C -1.619 174.586 176.094 0.185 0.000 1.034 225 V CA -1.724 60.680 62.300 0.173 0.000 1.045 225 V CB 0.362 32.250 31.823 0.109 0.000 0.974 225 V HN -0.269 nan 8.190 nan 0.000 0.480 226 P HA 0.067 nan 4.420 nan 0.000 0.261 226 P C -0.295 177.231 177.300 0.376 0.000 1.165 226 P CA 0.610 63.924 63.100 0.357 0.000 0.759 226 P CB 0.240 32.120 31.700 0.300 0.000 0.772 227 R N 1.541 122.301 120.500 0.433 0.000 2.789 227 R HA 0.520 4.858 4.340 -0.004 0.000 0.279 227 R C -1.712 174.555 176.300 -0.055 0.000 1.010 227 R CA -1.010 55.268 56.100 0.297 0.000 0.855 227 R CB -0.023 30.350 30.300 0.122 0.000 1.312 227 R HN 0.404 nan 8.270 nan 0.000 0.479 228 C N 1.849 121.122 119.300 -0.045 0.000 2.347 228 C HA 0.510 4.968 4.460 -0.004 0.000 0.353 228 C C 1.265 176.238 174.990 -0.028 0.000 1.273 228 C CA -0.642 58.308 59.018 -0.113 0.000 1.861 228 C CB -0.572 27.137 27.740 -0.052 0.000 2.420 228 C HN 0.723 nan 8.230 nan 0.000 0.542 229 L N 3.915 125.144 121.223 0.010 0.000 2.357 229 L HA 0.368 4.706 4.340 -0.004 0.000 0.211 229 L C 0.120 177.098 176.870 0.180 0.000 1.075 229 L CA 0.480 55.358 54.840 0.063 0.000 0.830 229 L CB -0.108 41.987 42.059 0.060 0.000 0.996 229 L HN 0.663 nan 8.230 nan 0.000 0.467 230 F N -0.158 119.806 119.950 0.023 0.000 2.588 230 F HA 0.549 5.075 4.527 -0.002 0.000 0.314 230 F C -0.814 175.015 175.800 0.048 0.000 1.134 230 F CA -0.571 57.458 58.000 0.048 0.000 0.961 230 F CB 1.906 40.969 39.000 0.104 0.000 1.239 230 F HN -0.311 nan 8.300 nan 0.000 0.448 231 S N 6.646 121.872 115.700 -0.790 0.000 2.652 231 S HA 0.593 5.061 4.470 -0.004 0.000 0.273 231 S C -2.620 171.567 174.600 -0.687 0.000 1.172 231 S CA -0.893 56.938 58.200 -0.615 0.000 1.009 231 S CB 0.623 63.676 63.200 -0.245 0.000 1.094 231 S HN 0.669 nan 8.310 nan 0.000 0.471 232 P HA 0.000 nan 4.420 nan 0.000 0.216 232 P CA 0.000 62.856 63.100 -0.406 0.000 0.800 232 P CB 0.000 31.557 31.700 -0.238 0.000 0.726