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 2z3o_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 0.000 176.278 176.300 -0.036 0.000 0.893 2 R CA 0.000 56.083 56.100 -0.028 0.000 0.921 2 R CB 0.000 30.285 30.300 -0.025 0.000 0.687 3 L N 3.586 124.783 121.223 -0.043 0.000 2.771 3 L HA -0.033 4.307 4.340 0.001 0.000 0.278 3 L C -0.333 176.507 176.870 -0.049 0.000 1.175 3 L CA 0.508 55.316 54.840 -0.054 0.000 0.973 3 L CB 0.365 42.389 42.059 -0.058 0.000 1.286 3 L HN -0.049 nan 8.230 nan 0.000 0.481 4 V N 5.180 125.063 119.914 -0.052 0.000 2.481 4 V HA 0.200 4.321 4.120 0.001 0.000 0.286 4 V C 0.173 176.229 176.094 -0.063 0.000 1.042 4 V CA -0.447 61.818 62.300 -0.058 0.000 0.928 4 V CB 1.669 33.451 31.823 -0.068 0.000 0.986 4 V HN 0.706 nan 8.190 nan 0.000 0.462 5 Q N 4.133 123.892 119.800 -0.067 0.000 2.340 5 Q HA 0.551 4.891 4.340 0.001 0.000 0.259 5 Q C -0.775 175.163 176.000 -0.105 0.000 0.964 5 Q CA -0.552 55.211 55.803 -0.067 0.000 0.900 5 Q CB 1.129 29.834 28.738 -0.056 0.000 1.228 5 Q HN 0.688 nan 8.270 nan 0.000 0.449 6 L N 1.765 122.911 121.223 -0.130 0.000 2.470 6 L HA 0.477 4.818 4.340 0.001 0.000 0.243 6 L C 0.449 177.219 176.870 -0.166 0.000 1.227 6 L CA -0.331 54.388 54.840 -0.201 0.000 0.824 6 L CB 0.613 42.491 42.059 -0.303 0.000 1.175 6 L HN 0.757 nan 8.230 nan 0.000 0.503 7 S N -1.404 114.179 115.700 -0.196 0.000 2.643 7 S HA 0.334 4.805 4.470 0.001 0.000 0.270 7 S C 0.114 174.609 174.600 -0.175 0.000 1.166 7 S CA -0.908 57.164 58.200 -0.213 0.000 0.815 7 S CB 1.604 64.610 63.200 -0.323 0.000 1.139 7 S HN 0.587 nan 8.310 nan 0.000 0.472 8 R N -0.301 120.099 120.500 -0.167 0.000 2.235 8 R HA 0.066 4.406 4.340 0.001 0.000 0.213 8 R C 1.529 177.871 176.300 0.070 0.000 1.059 8 R CA 1.363 57.439 56.100 -0.041 0.000 0.997 8 R CB -0.542 29.759 30.300 0.002 0.000 0.884 8 R HN 0.834 nan 8.270 nan 0.000 0.462 9 H N -1.913 117.117 119.070 -0.066 0.000 2.491 9 H HA 0.049 4.606 4.556 0.001 0.000 0.290 9 H C 0.251 175.531 175.328 -0.081 0.000 1.050 9 H CA 0.428 56.438 56.048 -0.064 0.000 1.309 9 H CB 0.344 30.071 29.762 -0.058 0.000 1.392 9 H HN -0.005 nan 8.280 nan 0.000 0.554 10 S N 0.001 115.700 115.700 -0.001 0.000 2.533 10 S HA 0.241 4.711 4.470 0.001 0.000 0.271 10 S C 0.092 174.580 174.600 -0.185 0.000 1.143 10 S CA -0.914 57.238 58.200 -0.080 0.000 0.891 10 S CB 1.190 64.339 63.200 -0.086 0.000 1.105 10 S HN 0.387 nan 8.310 nan 0.000 0.468 11 I N 1.918 122.382 120.570 -0.176 0.000 3.858 11 I HA 0.653 4.824 4.170 0.001 0.000 0.325 11 I C 0.302 176.228 176.117 -0.318 0.000 1.403 11 I CA -0.501 60.649 61.300 -0.250 0.000 1.169 11 I CB -0.205 37.736 38.000 -0.099 0.000 1.077 11 I HN 0.475 nan 8.210 nan 0.000 0.403 12 A N 1.145 123.776 122.820 -0.314 0.000 2.290 12 A HA 0.712 5.033 4.320 0.001 0.000 0.310 12 A C -0.937 176.424 177.584 -0.373 0.000 1.202 12 A CA -0.275 51.632 52.037 -0.215 0.000 0.837 12 A CB 0.289 19.225 19.000 -0.108 0.000 1.139 12 A HN 0.346 nan 8.150 nan 0.000 0.509 13 F N 2.801 122.636 119.950 -0.192 0.000 2.432 13 F HA 0.548 5.076 4.527 0.001 0.000 0.329 13 F C -1.230 174.485 175.800 -0.142 0.000 1.076 13 F CA -1.843 56.025 58.000 -0.220 0.000 1.018 13 F CB 0.830 39.668 39.000 -0.270 0.000 1.201 13 F HN 0.457 nan 8.300 nan 0.000 0.489 14 P HA 0.070 nan 4.420 nan 0.000 0.286 14 P C -0.656 176.661 177.300 0.027 0.000 1.293 14 P CA -0.439 62.670 63.100 0.014 0.000 0.770 14 P CB 0.647 32.341 31.700 -0.011 0.000 1.206 15 S N -0.290 115.414 115.700 0.007 0.000 2.545 15 S HA 0.217 4.688 4.470 0.001 0.000 0.275 15 S C -1.516 173.083 174.600 -0.002 0.000 1.299 15 S CA -1.412 56.790 58.200 0.003 0.000 1.048 15 S CB -0.062 63.138 63.200 0.001 0.000 0.938 15 S HN 0.165 nan 8.310 nan 0.000 0.496 16 P HA -0.130 nan 4.420 nan 0.000 0.216 16 P C 0.939 178.241 177.300 0.003 0.000 1.154 16 P CA 1.090 64.188 63.100 -0.004 0.000 0.865 16 P CB 0.117 31.824 31.700 0.011 0.000 0.789 17 E N -0.991 119.213 120.200 0.007 0.000 2.273 17 E HA -0.111 4.239 4.350 0.001 0.000 0.198 17 E C 2.045 178.645 176.600 0.001 0.000 1.002 17 E CA 1.481 57.885 56.400 0.007 0.000 0.828 17 E CB -1.419 28.284 29.700 0.006 0.000 0.747 17 E HN 0.292 nan 8.360 nan 0.000 0.491 18 G N -0.292 108.505 108.800 -0.005 0.000 2.985 18 G HA2 0.218 4.179 3.960 0.001 0.000 0.209 18 G HA3 0.218 4.179 3.960 0.001 0.000 0.209 18 G C 0.585 175.474 174.900 -0.018 0.000 1.165 18 G CA 0.265 45.359 45.100 -0.011 0.000 0.776 18 G HN 0.371 nan 8.290 nan 0.000 0.541 19 A N -0.029 122.780 122.820 -0.018 0.000 2.448 19 A HA 0.532 4.852 4.320 0.001 0.000 0.239 19 A C 0.462 178.034 177.584 -0.020 0.000 1.080 19 A CA -0.169 51.851 52.037 -0.030 0.000 0.779 19 A CB 0.285 19.272 19.000 -0.021 0.000 1.026 19 A HN 0.278 nan 8.150 nan 0.000 0.499 20 L N 0.965 122.170 121.223 -0.030 0.000 2.466 20 L HA 0.273 4.614 4.340 0.001 0.000 0.257 20 L C 1.664 178.543 176.870 0.015 0.000 1.189 20 L CA -0.727 54.106 54.840 -0.012 0.000 0.813 20 L CB 0.306 42.351 42.059 -0.024 0.000 1.118 20 L HN 0.811 nan 8.230 nan 0.000 0.471 21 R N 0.401 120.912 120.500 0.019 0.000 2.075 21 R HA 0.114 4.455 4.340 0.001 0.000 0.220 21 R C -0.251 176.074 176.300 0.041 0.000 1.118 21 R CA 0.749 56.866 56.100 0.028 0.000 0.986 21 R CB 0.170 30.482 30.300 0.020 0.000 0.884 21 R HN 0.549 nan 8.270 nan 0.000 0.439 22 E N 1.634 121.857 120.200 0.038 0.000 2.255 22 E HA 0.300 4.651 4.350 0.001 0.000 0.256 22 E C -2.245 174.388 176.600 0.056 0.000 0.887 22 E CA -1.891 54.540 56.400 0.051 0.000 0.782 22 E CB 2.135 31.857 29.700 0.036 0.000 1.214 22 E HN 0.126 nan 8.360 nan 0.000 0.417 23 P HA 0.091 nan 4.420 nan 0.000 0.271 23 P C 0.043 177.455 177.300 0.187 0.000 1.218 23 P CA -0.465 62.735 63.100 0.166 0.000 0.780 23 P CB 0.765 32.640 31.700 0.292 0.000 0.901 24 N N 1.219 120.019 118.700 0.167 0.000 2.423 24 N HA 0.098 4.838 4.740 0.001 0.000 0.275 24 N C 1.339 176.994 175.510 0.242 0.000 1.283 24 N CA 1.583 54.718 53.050 0.142 0.000 0.932 24 N CB -0.507 38.020 38.487 0.067 0.000 1.185 24 N HN 0.781 nan 8.380 nan 0.000 0.483 25 G N 3.032 111.934 108.800 0.170 0.000 2.179 25 G HA2 -0.231 3.729 3.960 0.001 0.000 0.220 25 G HA3 -0.231 3.729 3.960 0.001 0.000 0.220 25 G C 0.312 175.232 174.900 0.032 0.000 0.990 25 G CA -0.287 44.912 45.100 0.165 0.000 0.646 25 G HN 0.567 nan 8.290 nan 0.000 0.517 26 L N 1.190 122.323 121.223 -0.151 0.000 2.698 26 L HA 0.227 4.568 4.340 0.001 0.000 0.272 26 L C 1.674 178.346 176.870 -0.330 0.000 1.154 26 L CA -0.055 54.419 54.840 -0.609 0.000 0.964 26 L CB 0.573 42.330 42.059 -0.503 0.000 1.272 26 L HN 0.294 nan 8.230 nan 0.000 0.483 27 L N 4.979 126.011 121.223 -0.318 0.000 2.537 27 L HA 0.503 4.844 4.340 0.001 0.000 0.224 27 L C 0.432 177.255 176.870 -0.078 0.000 1.065 27 L CA 0.965 55.722 54.840 -0.138 0.000 0.860 27 L CB 0.258 42.270 42.059 -0.078 0.000 1.086 27 L HN 0.631 nan 8.230 nan 0.000 0.482 28 A N -0.637 122.152 122.820 -0.052 0.000 2.567 28 A HA 0.624 4.944 4.320 0.001 0.000 0.291 28 A C -1.885 175.798 177.584 0.165 0.000 1.048 28 A CA -0.269 51.791 52.037 0.038 0.000 0.661 28 A CB 0.648 19.670 19.000 0.037 0.000 1.288 28 A HN 0.240 nan 8.150 nan 0.000 0.424 29 L N -1.254 120.046 121.223 0.128 0.000 2.424 29 L HA 0.970 5.311 4.340 0.001 0.000 0.258 29 L C 0.255 177.194 176.870 0.115 0.000 0.995 29 L CA -0.072 54.850 54.840 0.136 0.000 0.821 29 L CB 1.800 43.861 42.059 0.002 0.000 1.383 29 L HN 2.630 nan 8.230 nan 0.000 0.410 30 G N 0.477 109.346 108.800 0.115 0.000 2.451 30 G HA2 0.392 4.352 3.960 0.001 0.000 0.208 30 G HA3 0.392 4.352 3.960 0.001 0.000 0.208 30 G C 0.279 175.278 174.900 0.166 0.000 1.248 30 G CA -0.107 45.031 45.100 0.063 0.000 0.989 30 G HN 2.616 nan 8.290 nan 0.000 0.559 31 G N -0.542 108.286 108.800 0.046 0.000 2.525 31 G HA2 0.420 4.381 3.960 0.001 0.000 0.248 31 G HA3 0.420 4.381 3.960 0.001 0.000 0.248 31 G C -0.122 174.839 174.900 0.102 0.000 1.238 31 G CA 1.341 46.465 45.100 0.040 0.000 0.926 31 G HN 2.802 nan 8.290 nan 0.000 0.574 32 D N -2.214 118.292 120.400 0.177 0.000 2.812 32 D HA 0.602 5.243 4.640 0.001 0.000 0.318 32 D C 0.342 176.821 176.300 0.298 0.000 1.234 32 D CA -0.763 53.338 54.000 0.169 0.000 0.989 32 D CB 0.385 41.245 40.800 0.099 0.000 1.442 32 D HN 0.670 nan 8.370 nan 0.000 0.537 33 L N 0.713 122.074 121.223 0.230 0.000 3.141 33 L HA 0.322 4.662 4.340 0.001 0.000 0.267 33 L C 0.197 177.181 176.870 0.190 0.000 1.281 33 L CA -0.548 54.455 54.840 0.272 0.000 1.037 33 L CB 0.017 42.222 42.059 0.244 0.000 1.407 33 L HN 0.472 nan 8.230 nan 0.000 0.566 34 S N -1.249 114.547 115.700 0.160 0.000 2.573 34 S HA 0.141 4.612 4.470 0.001 0.000 0.277 34 S C -1.635 173.025 174.600 0.101 0.000 1.346 34 S CA -0.919 57.344 58.200 0.105 0.000 1.034 34 S CB 0.702 63.949 63.200 0.078 0.000 0.879 34 S HN -0.004 nan 8.310 nan 0.000 0.528 35 P HA -0.155 nan 4.420 nan 0.000 0.215 35 P C 1.664 178.994 177.300 0.051 0.000 1.157 35 P CA 2.090 65.217 63.100 0.045 0.000 0.874 35 P CB -0.245 31.479 31.700 0.039 0.000 0.790 36 A N -0.270 122.582 122.820 0.053 0.000 1.858 36 A HA -0.243 4.077 4.320 0.001 0.000 0.216 36 A C 2.433 180.068 177.584 0.084 0.000 1.190 36 A CA 1.933 53.999 52.037 0.049 0.000 0.617 36 A CB -1.279 17.742 19.000 0.036 0.000 0.827 36 A HN 0.035 nan 8.150 nan 0.000 0.443 37 R N -0.443 120.122 120.500 0.109 0.000 2.096 37 R HA -0.058 4.282 4.340 0.001 0.000 0.235 37 R C 2.021 178.494 176.300 0.289 0.000 1.127 37 R CA 1.433 57.628 56.100 0.158 0.000 0.968 37 R CB -0.361 30.011 30.300 0.120 0.000 0.861 37 R HN 0.546 nan 8.270 nan 0.000 0.440 38 L N 0.293 121.698 121.223 0.303 0.000 2.027 38 L HA -0.198 4.143 4.340 0.001 0.000 0.206 38 L C 2.298 179.374 176.870 0.343 0.000 1.074 38 L CA 0.693 55.772 54.840 0.399 0.000 0.745 38 L CB -0.426 41.812 42.059 0.299 0.000 0.898 38 L HN 0.236 nan 8.230 nan 0.000 0.433 39 L N -0.818 120.502 121.223 0.162 0.000 2.079 39 L HA -0.226 4.114 4.340 0.001 0.000 0.210 39 L C 2.557 179.487 176.870 0.101 0.000 1.081 39 L CA 1.784 56.664 54.840 0.067 0.000 0.752 39 L CB -0.768 41.233 42.059 -0.096 0.000 0.896 39 L HN 0.246 nan 8.230 nan 0.000 0.433 40 M N -1.539 118.130 119.600 0.114 0.000 2.175 40 M HA -0.131 4.350 4.480 0.001 0.000 0.264 40 M C 2.368 178.670 176.300 0.004 0.000 1.063 40 M CA 1.683 57.048 55.300 0.109 0.000 1.119 40 M CB -1.254 31.461 32.600 0.192 0.000 1.377 40 M HN 0.294 nan 8.290 nan 0.000 0.415 41 A N -0.703 122.055 122.820 -0.103 0.000 1.841 41 A HA -0.186 4.134 4.320 0.001 0.000 0.214 41 A C 1.947 179.379 177.584 -0.254 0.000 1.195 41 A CA 1.367 53.054 52.037 -0.584 0.000 0.611 41 A CB -1.218 17.435 19.000 -0.579 0.000 0.835 41 A HN 0.437 nan 8.150 nan 0.000 0.443 42 Y N -0.112 120.195 120.300 0.012 0.000 2.333 42 Y HA -0.206 4.345 4.550 0.001 0.000 0.290 42 Y C 2.604 178.537 175.900 0.055 0.000 1.144 42 Y CA 1.740 59.892 58.100 0.086 0.000 1.228 42 Y CB -0.235 38.287 38.460 0.103 0.000 0.985 42 Y HN 0.497 nan 8.280 nan 0.000 0.542 43 Q N 0.227 120.112 119.800 0.142 0.000 2.297 43 Q HA -0.098 4.243 4.340 0.001 0.000 0.204 43 Q C 1.186 177.208 176.000 0.036 0.000 0.962 43 Q CA 0.880 56.734 55.803 0.084 0.000 0.879 43 Q CB 0.198 28.971 28.738 0.058 0.000 0.947 43 Q HN 0.336 nan 8.270 nan 0.000 0.462 44 R N -1.203 119.286 120.500 -0.018 0.000 2.509 44 R HA 0.179 4.520 4.340 0.001 0.000 0.300 44 R C 0.386 176.676 176.300 -0.018 0.000 0.985 44 R CA 0.544 56.619 56.100 -0.041 0.000 1.092 44 R CB 1.103 31.345 30.300 -0.097 0.000 1.237 44 R HN 0.312 nan 8.270 nan 0.000 0.546 45 G N 2.077 110.912 108.800 0.059 0.000 2.198 45 G HA2 -0.256 3.705 3.960 0.001 0.000 0.257 45 G HA3 -0.256 3.705 3.960 0.001 0.000 0.257 45 G C 0.035 174.986 174.900 0.086 0.000 1.042 45 G CA 0.097 45.324 45.100 0.212 0.000 0.791 45 G HN 0.277 nan 8.290 nan 0.000 0.502 46 I N -0.468 120.041 120.570 -0.101 0.000 2.740 46 I HA 0.863 5.034 4.170 0.001 0.000 0.303 46 I C 0.062 176.064 176.117 -0.191 0.000 1.044 46 I CA -1.493 59.671 61.300 -0.226 0.000 1.064 46 I CB 1.840 39.555 38.000 -0.474 0.000 1.249 46 I HN 0.201 nan 8.210 nan 0.000 0.433 47 F N 3.753 123.697 119.950 -0.009 0.000 2.654 47 F HA 0.759 5.287 4.527 0.001 0.000 0.308 47 F C -3.208 172.730 175.800 0.230 0.000 1.108 47 F CA -2.734 55.232 58.000 -0.058 0.000 0.957 47 F CB 1.166 40.066 39.000 -0.166 0.000 1.309 47 F HN 0.077 nan 8.300 nan 0.000 0.446 48 P HA 0.318 nan 4.420 nan 0.000 0.286 48 P C -1.789 175.744 177.300 0.387 0.000 1.261 48 P CA 0.051 63.184 63.100 0.054 0.000 0.821 48 P CB 1.817 33.342 31.700 -0.291 0.000 1.013 49 W N 5.841 127.288 121.300 0.245 0.000 4.000 49 W HA 0.500 5.161 4.660 0.001 0.000 0.302 49 W C -2.224 174.546 176.519 0.419 0.000 1.206 49 W CA -0.236 57.000 57.345 -0.183 0.000 1.286 49 W CB 0.848 29.979 29.460 -0.548 0.000 1.234 49 W HN 0.441 nan 8.180 nan 0.000 0.477 50 F N 2.961 122.385 119.950 -0.876 0.000 2.744 50 F HA 0.710 5.237 4.527 0.001 0.000 0.311 50 F C -0.580 174.847 175.800 -0.622 0.000 1.144 50 F CA -1.139 56.521 58.000 -0.566 0.000 0.938 50 F CB 0.598 39.520 39.000 -0.130 0.000 1.292 50 F HN 0.237 nan 8.300 nan 0.000 0.444 51 S N 0.288 115.720 115.700 -0.447 0.000 2.610 51 S HA 0.679 5.150 4.470 0.001 0.000 0.273 51 S C -2.944 171.551 174.600 -0.175 0.000 1.274 51 S CA -1.494 56.503 58.200 -0.339 0.000 1.023 51 S CB 1.050 64.163 63.200 -0.145 0.000 0.962 51 S HN 0.503 nan 8.310 nan 0.000 0.523 52 P HA 0.260 nan 4.420 nan 0.000 0.264 52 P C 1.104 178.411 177.300 0.012 0.000 1.183 52 P CA 1.321 64.375 63.100 -0.077 0.000 0.763 52 P CB 0.196 31.838 31.700 -0.096 0.000 0.807 53 G N 1.576 110.416 108.800 0.066 0.000 2.234 53 G HA2 -0.179 3.781 3.960 0.001 0.000 0.235 53 G HA3 -0.179 3.781 3.960 0.001 0.000 0.235 53 G C 0.077 175.031 174.900 0.089 0.000 0.997 53 G CA -0.208 44.930 45.100 0.063 0.000 0.623 53 G HN 0.510 nan 8.290 nan 0.000 0.514 54 D N 1.818 122.305 120.400 0.145 0.000 2.332 54 D HA 0.574 5.214 4.640 0.001 0.000 0.252 54 D C -1.633 174.752 176.300 0.140 0.000 1.050 54 D CA -1.120 52.968 54.000 0.147 0.000 0.970 54 D CB 1.472 42.380 40.800 0.179 0.000 1.141 54 D HN 0.200 nan 8.370 nan 0.000 0.485 55 P HA 0.240 nan 4.420 nan 0.000 0.274 55 P C -0.019 177.109 177.300 -0.287 0.000 1.246 55 P CA -0.379 62.671 63.100 -0.083 0.000 0.795 55 P CB 0.820 32.490 31.700 -0.050 0.000 1.006 56 I N 1.073 121.306 120.570 -0.561 0.000 2.668 56 I HA -0.026 4.144 4.170 0.001 0.000 0.285 56 I C 0.656 176.452 176.117 -0.535 0.000 1.168 56 I CA 0.445 61.128 61.300 -1.028 0.000 1.424 56 I CB -0.352 37.191 38.000 -0.762 0.000 1.377 56 I HN 0.070 nan 8.210 nan 0.000 0.560 57 L N 6.500 127.465 121.223 -0.429 0.000 2.317 57 L HA 0.428 4.769 4.340 0.001 0.000 0.281 57 L C -1.040 175.632 176.870 -0.330 0.000 1.024 57 L CA -0.584 54.136 54.840 -0.199 0.000 0.810 57 L CB 1.295 43.428 42.059 0.123 0.000 1.240 57 L HN 0.532 nan 8.230 nan 0.000 0.427 58 W N 1.689 122.825 121.300 -0.273 0.000 2.573 58 W HA 0.529 5.189 4.660 0.001 0.000 0.326 58 W C -0.951 175.213 176.519 -0.591 0.000 1.049 58 W CA -0.233 56.988 57.345 -0.206 0.000 1.220 58 W CB 1.396 30.850 29.460 -0.011 0.000 1.373 58 W HN 0.304 nan 8.180 nan 0.000 0.507 59 W N 0.790 121.912 121.300 -0.296 0.000 2.975 59 W HA 0.634 5.294 4.660 0.001 0.000 0.342 59 W C -0.209 175.916 176.519 -0.657 0.000 1.168 59 W CA -1.442 55.580 57.345 -0.539 0.000 1.141 59 W CB 1.754 30.739 29.460 -0.792 0.000 1.445 59 W HN 0.111 nan 8.180 nan 0.000 0.560 60 S N 2.649 118.274 115.700 -0.125 0.000 2.689 60 S HA 0.279 4.750 4.470 0.001 0.000 0.151 60 S C -2.639 171.976 174.600 0.025 0.000 1.155 60 S CA -0.938 57.222 58.200 -0.066 0.000 1.144 60 S CB -0.046 63.135 63.200 -0.033 0.000 1.526 60 S HN 0.197 nan 8.310 nan 0.000 0.419 61 P HA 0.355 nan 4.420 nan 0.000 0.271 61 P C -0.910 176.418 177.300 0.046 0.000 1.233 61 P CA 0.135 63.276 63.100 0.068 0.000 0.789 61 P CB 0.549 32.284 31.700 0.058 0.000 0.951 62 D N 0.285 120.708 120.400 0.039 0.000 2.613 62 D HA 0.293 4.933 4.640 0.001 0.000 0.230 62 D C -2.466 173.850 176.300 0.026 0.000 1.365 62 D CA -1.742 52.280 54.000 0.037 0.000 0.976 62 D CB 1.058 41.884 40.800 0.042 0.000 1.415 62 D HN 0.158 nan 8.370 nan 0.000 0.589 63 P HA 0.289 nan 4.420 nan 0.000 0.275 63 P C -0.625 176.677 177.300 0.004 0.000 1.270 63 P CA -0.531 62.586 63.100 0.027 0.000 0.791 63 P CB 0.815 32.532 31.700 0.029 0.000 1.089 64 R N -0.232 120.265 120.500 -0.005 0.000 2.437 64 R HA 0.613 4.953 4.340 0.001 0.000 0.310 64 R C -0.745 175.496 176.300 -0.099 0.000 0.955 64 R CA -0.572 55.474 56.100 -0.090 0.000 0.851 64 R CB 0.813 31.002 30.300 -0.186 0.000 1.161 64 R HN 0.579 nan 8.270 nan 0.000 0.446 65 A N 3.424 126.165 122.820 -0.131 0.000 2.440 65 A HA 0.521 4.841 4.320 0.001 0.000 0.251 65 A C -0.610 176.881 177.584 -0.155 0.000 1.089 65 A CA -0.243 51.724 52.037 -0.118 0.000 0.779 65 A CB 0.730 19.652 19.000 -0.131 0.000 1.022 65 A HN 0.626 nan 8.150 nan 0.000 0.492 66 V N 2.937 122.778 119.914 -0.122 0.000 3.206 66 V HA 0.782 4.903 4.120 0.001 0.000 0.305 66 V C -1.926 174.058 176.094 -0.184 0.000 1.257 66 V CA -0.697 61.496 62.300 -0.177 0.000 1.057 66 V CB 2.238 33.934 31.823 -0.211 0.000 1.075 66 V HN 1.266 nan 8.190 nan 0.000 0.443 67 L N 3.107 124.183 121.223 -0.244 0.000 2.482 67 L HA 0.667 5.007 4.340 0.001 0.000 0.269 67 L C -1.703 175.051 176.870 -0.193 0.000 0.967 67 L CA -0.130 54.620 54.840 -0.151 0.000 0.851 67 L CB 1.816 43.858 42.059 -0.029 0.000 1.242 67 L HN 0.750 nan 8.230 nan 0.000 0.404 68 W N 7.471 128.809 121.300 0.062 0.000 2.356 68 W HA 0.368 5.028 4.660 0.001 0.000 0.311 68 W C -1.408 175.154 176.519 0.073 0.000 1.328 68 W CA -1.222 56.157 57.345 0.056 0.000 1.251 68 W CB 0.417 29.886 29.460 0.015 0.000 1.280 68 W HN 0.503 nan 8.180 nan 0.000 0.524 69 P HA -0.351 nan 4.420 nan 0.000 0.216 69 P C 1.634 179.024 177.300 0.150 0.000 1.167 69 P CA 2.462 65.688 63.100 0.210 0.000 0.914 69 P CB 0.196 32.042 31.700 0.243 0.000 0.793 70 E N -0.450 119.836 120.200 0.144 0.000 2.333 70 E HA -0.090 4.261 4.350 0.001 0.000 0.198 70 E C 1.131 177.785 176.600 0.092 0.000 1.007 70 E CA 1.222 57.672 56.400 0.084 0.000 0.845 70 E CB -1.326 28.403 29.700 0.049 0.000 0.766 70 E HN 0.166 nan 8.360 nan 0.000 0.507 71 S N 0.688 116.478 115.700 0.149 0.000 2.634 71 S HA 0.147 4.618 4.470 0.001 0.000 0.221 71 S C 0.440 175.118 174.600 0.128 0.000 0.952 71 S CA -0.576 57.708 58.200 0.139 0.000 0.930 71 S CB -0.305 63.015 63.200 0.200 0.000 0.780 71 S HN 0.206 nan 8.310 nan 0.000 0.498 72 L N 3.328 124.615 121.223 0.106 0.000 2.490 72 L HA 0.117 4.458 4.340 0.001 0.000 0.274 72 L C 0.248 177.174 176.870 0.092 0.000 1.201 72 L CA 0.511 55.401 54.840 0.083 0.000 0.869 72 L CB 0.127 42.214 42.059 0.047 0.000 1.123 72 L HN 0.236 nan 8.230 nan 0.000 0.484 73 H N 6.660 125.724 119.070 -0.009 0.000 2.685 73 H HA 0.324 4.880 4.556 0.001 0.000 0.286 73 H C -0.951 174.362 175.328 -0.026 0.000 1.102 73 H CA -0.674 55.366 56.048 -0.015 0.000 1.254 73 H CB 0.384 30.135 29.762 -0.018 0.000 1.397 73 H HN 0.614 nan 8.280 nan 0.000 0.473 74 I N 4.846 125.195 120.570 -0.367 0.000 2.315 74 I HA 0.066 4.236 4.170 0.001 0.000 0.291 74 I C 1.006 176.856 176.117 -0.446 0.000 1.006 74 I CA -0.681 60.433 61.300 -0.310 0.000 1.265 74 I CB 1.328 39.232 38.000 -0.159 0.000 1.387 74 I HN 0.517 nan 8.210 nan 0.000 0.475 75 S N 5.648 121.128 115.700 -0.367 0.000 2.576 75 S HA 0.121 4.591 4.470 0.001 0.000 0.272 75 S C 1.202 175.732 174.600 -0.116 0.000 1.352 75 S CA -0.250 57.806 58.200 -0.240 0.000 1.021 75 S CB 1.129 64.276 63.200 -0.088 0.000 0.887 75 S HN 0.762 nan 8.310 nan 0.000 0.542 76 R N 0.699 121.164 120.500 -0.059 0.000 2.081 76 R HA -0.089 4.251 4.340 0.001 0.000 0.235 76 R C 2.679 178.984 176.300 0.009 0.000 1.131 76 R CA 1.637 57.727 56.100 -0.017 0.000 0.960 76 R CB -0.823 29.478 30.300 0.002 0.000 0.856 76 R HN 0.795 nan 8.270 nan 0.000 0.436 77 S N -0.030 115.678 115.700 0.013 0.000 2.382 77 S HA -0.185 4.286 4.470 0.001 0.000 0.228 77 S C 1.817 176.464 174.600 0.078 0.000 1.027 77 S CA 1.532 59.754 58.200 0.038 0.000 0.991 77 S CB -0.111 63.101 63.200 0.020 0.000 0.823 77 S HN 0.290 nan 8.310 nan 0.000 0.469 78 M N 1.552 121.182 119.600 0.051 0.000 2.132 78 M HA 0.041 4.522 4.480 0.001 0.000 0.263 78 M C 1.741 178.142 176.300 0.168 0.000 1.065 78 M CA 1.700 57.065 55.300 0.107 0.000 1.122 78 M CB -0.399 32.211 32.600 0.016 0.000 1.365 78 M HN 0.126 nan 8.290 nan 0.000 0.411 79 K N -0.520 119.930 120.400 0.082 0.000 2.063 79 K HA -0.156 4.165 4.320 0.001 0.000 0.208 79 K C 2.164 178.827 176.600 0.104 0.000 1.048 79 K CA 1.549 57.889 56.287 0.089 0.000 0.928 79 K CB -0.331 32.189 32.500 0.034 0.000 0.713 79 K HN 0.422 nan 8.250 nan 0.000 0.442 80 R N 0.106 120.661 120.500 0.092 0.000 2.073 80 R HA -0.133 4.207 4.340 0.001 0.000 0.234 80 R C 2.306 178.662 176.300 0.092 0.000 1.134 80 R CA 1.512 57.656 56.100 0.073 0.000 0.952 80 R CB -0.509 29.833 30.300 0.069 0.000 0.850 80 R HN 0.175 nan 8.270 nan 0.000 0.433 81 F N 0.986 120.945 119.950 0.016 0.000 2.069 81 F HA -0.275 4.253 4.527 0.001 0.000 0.298 81 F C 2.443 178.261 175.800 0.030 0.000 1.113 81 F CA 2.198 60.205 58.000 0.012 0.000 1.214 81 F CB -0.512 38.499 39.000 0.019 0.000 0.978 81 F HN 0.083 nan 8.300 nan 0.000 0.474 82 H N 0.313 119.390 119.070 0.012 0.000 2.457 82 H HA -0.094 4.463 4.556 0.001 0.000 0.294 82 H C 2.253 177.536 175.328 -0.075 0.000 1.064 82 H CA 1.820 57.813 56.048 -0.092 0.000 1.330 82 H CB -0.307 29.431 29.762 -0.040 0.000 1.395 82 H HN 0.341 nan 8.280 nan 0.000 0.541 83 K N 0.413 120.754 120.400 -0.100 0.000 2.211 83 K HA -0.088 4.232 4.320 0.001 0.000 0.204 83 K C 0.432 176.941 176.600 -0.151 0.000 1.047 83 K CA 1.171 57.395 56.287 -0.105 0.000 0.935 83 K CB 0.169 32.649 32.500 -0.033 0.000 0.728 83 K HN 0.273 nan 8.250 nan 0.000 0.452 84 R N 0.744 121.117 120.500 -0.212 0.000 2.834 84 R HA 0.193 4.534 4.340 0.001 0.000 0.362 84 R C -0.824 175.248 176.300 -0.380 0.000 1.147 84 R CA -0.268 55.694 56.100 -0.230 0.000 1.125 84 R CB 1.309 31.498 30.300 -0.185 0.000 1.361 84 R HN -0.067 nan 8.270 nan 0.000 0.598 85 S N 2.699 118.175 115.700 -0.373 0.000 2.549 85 S HA 0.068 4.539 4.470 0.001 0.000 0.286 85 S C -1.081 173.331 174.600 -0.315 0.000 1.314 85 S CA -0.674 57.262 58.200 -0.440 0.000 1.062 85 S CB 0.709 63.866 63.200 -0.072 0.000 0.865 85 S HN 0.326 nan 8.310 nan 0.000 0.498 86 P HA 0.135 nan 4.420 nan 0.000 0.261 86 P C -0.699 176.516 177.300 -0.141 0.000 1.268 86 P CA 0.208 63.101 63.100 -0.346 0.000 0.833 86 P CB 0.147 31.580 31.700 -0.444 0.000 1.231 87 Y N 0.317 120.711 120.300 0.158 0.000 2.534 87 Y HA 0.568 5.119 4.550 0.001 0.000 0.329 87 Y C 1.151 177.243 175.900 0.320 0.000 1.154 87 Y CA -1.317 56.923 58.100 0.234 0.000 1.192 87 Y CB 1.674 40.277 38.460 0.240 0.000 1.275 87 Y HN -0.418 nan 8.280 nan 0.000 0.491 88 R N 0.707 121.507 120.500 0.500 0.000 2.686 88 R HA 0.673 5.013 4.340 0.001 0.000 0.286 88 R C -1.795 174.784 176.300 0.465 0.000 0.969 88 R CA -1.004 55.332 56.100 0.393 0.000 0.898 88 R CB 2.401 32.835 30.300 0.223 0.000 1.183 88 R HN 0.347 nan 8.270 nan 0.000 0.456 89 V N 2.030 122.200 119.914 0.427 0.000 2.448 89 V HA 0.445 4.565 4.120 0.001 0.000 0.295 89 V C 0.217 176.426 176.094 0.190 0.000 1.025 89 V CA -0.664 61.817 62.300 0.302 0.000 0.859 89 V CB 1.745 33.724 31.823 0.260 0.000 0.988 89 V HN 0.987 nan 8.190 nan 0.000 0.431 90 T N 1.864 116.511 114.554 0.155 0.000 2.927 90 T HA 0.820 5.171 4.350 0.001 0.000 0.286 90 T C -0.514 174.204 174.700 0.031 0.000 1.040 90 T CA -0.819 61.237 62.100 -0.074 0.000 1.010 90 T CB 2.167 70.809 68.868 -0.377 0.000 1.177 90 T HN 0.580 nan 8.240 nan 0.000 0.546 91 M N 1.849 121.475 119.600 0.044 0.000 2.326 91 M HA 0.394 4.875 4.480 0.001 0.000 0.306 91 M C -0.690 175.856 176.300 0.410 0.000 1.054 91 M CA -0.366 55.066 55.300 0.220 0.000 0.922 91 M CB 1.013 33.710 32.600 0.163 0.000 1.632 91 M HN 0.812 nan 8.290 nan 0.000 0.436 92 N N 3.059 122.023 118.700 0.440 0.000 2.696 92 N HA -0.249 4.492 4.740 0.001 0.000 0.249 92 N C -0.435 175.394 175.510 0.533 0.000 1.090 92 N CA 1.039 54.392 53.050 0.506 0.000 0.716 92 N CB -1.294 37.544 38.487 0.585 0.000 1.020 92 N HN 0.681 nan 8.380 nan 0.000 0.548 93 Y N -0.801 119.665 120.300 0.277 0.000 2.448 93 Y HA 0.314 4.864 4.550 0.001 0.000 0.289 93 Y C 1.532 177.590 175.900 0.264 0.000 1.114 93 Y CA 0.932 59.190 58.100 0.263 0.000 1.235 93 Y CB 0.580 39.223 38.460 0.305 0.000 1.045 93 Y HN 0.271 nan 8.280 nan 0.000 0.554 94 A N -1.445 121.620 122.820 0.407 0.000 3.474 94 A HA 0.214 4.534 4.320 0.001 0.000 0.251 94 A C 0.442 178.070 177.584 0.073 0.000 1.062 94 A CA -0.560 51.635 52.037 0.264 0.000 0.945 94 A CB -1.322 17.893 19.000 0.360 0.000 1.296 94 A HN 0.279 nan 8.150 nan 0.000 0.592 95 F N 1.292 121.102 119.950 -0.234 0.000 2.091 95 F HA -0.108 4.420 4.527 0.001 0.000 0.299 95 F C 2.136 177.661 175.800 -0.458 0.000 1.103 95 F CA 2.987 60.679 58.000 -0.512 0.000 1.228 95 F CB -0.076 38.191 39.000 -1.223 0.000 0.984 95 F HN 0.459 nan 8.300 nan 0.000 0.477 96 G N -0.721 107.983 108.800 -0.160 0.000 2.469 96 G HA2 -0.292 3.669 3.960 0.001 0.000 0.219 96 G HA3 -0.292 3.669 3.960 0.001 0.000 0.219 96 G C 1.480 176.271 174.900 -0.183 0.000 1.150 96 G CA 0.973 46.018 45.100 -0.092 0.000 0.763 96 G HN 0.463 nan 8.290 nan 0.000 0.561 97 Q N -0.288 119.431 119.800 -0.135 0.000 2.079 97 Q HA -0.038 4.302 4.340 0.001 0.000 0.200 97 Q C 2.908 178.712 176.000 -0.328 0.000 0.974 97 Q CA 1.258 56.960 55.803 -0.169 0.000 0.840 97 Q CB -0.263 28.443 28.738 -0.054 0.000 0.898 97 Q HN 0.401 nan 8.270 nan 0.000 0.430 98 V N 1.410 121.123 119.914 -0.335 0.000 2.255 98 V HA -0.274 3.846 4.120 0.001 0.000 0.247 98 V C 2.175 177.912 176.094 -0.595 0.000 1.051 98 V CA 1.791 63.891 62.300 -0.333 0.000 1.018 98 V CB -0.459 31.194 31.823 -0.283 0.000 0.641 98 V HN 0.393 nan 8.190 nan 0.000 0.445 99 I N -0.503 119.546 120.570 -0.868 0.000 2.493 99 I HA -0.142 4.028 4.170 0.001 0.000 0.254 99 I C 2.494 178.218 176.117 -0.655 0.000 1.160 99 I CA 1.231 61.918 61.300 -1.022 0.000 1.445 99 I CB -0.088 37.138 38.000 -1.290 0.000 1.086 99 I HN 0.305 nan 8.210 nan 0.000 0.433 100 E N 0.671 120.544 120.200 -0.544 0.000 2.152 100 E HA -0.106 4.245 4.350 0.001 0.000 0.192 100 E C 2.078 178.348 176.600 -0.550 0.000 0.983 100 E CA 1.108 57.251 56.400 -0.429 0.000 0.818 100 E CB -0.349 29.167 29.700 -0.307 0.000 0.758 100 E HN 0.644 nan 8.360 nan 0.000 0.467 101 G N 0.645 108.922 108.800 -0.871 0.000 2.404 101 G HA2 -0.250 3.711 3.960 0.001 0.000 0.215 101 G HA3 -0.250 3.711 3.960 0.001 0.000 0.215 101 G C 1.904 176.167 174.900 -1.063 0.000 1.174 101 G CA 0.987 45.179 45.100 -1.513 0.000 0.780 101 G HN 0.313 nan 8.290 nan 0.000 0.537 102 C N 1.036 119.904 119.300 -0.721 0.000 2.425 102 C HA 0.176 4.637 4.460 0.001 0.000 0.277 102 C C 3.518 178.380 174.990 -0.213 0.000 1.280 102 C CA 0.784 59.669 59.018 -0.222 0.000 1.744 102 C CB -0.956 26.785 27.740 0.002 0.000 1.989 102 C HN 0.556 nan 8.230 nan 0.000 0.491 103 A N 0.236 122.868 122.820 -0.313 0.000 1.897 103 A HA -0.099 4.221 4.320 0.001 0.000 0.215 103 A C 2.261 179.713 177.584 -0.220 0.000 1.181 103 A CA 2.030 53.902 52.037 -0.276 0.000 0.620 103 A CB -0.753 18.056 19.000 -0.318 0.000 0.821 103 A HN 0.515 nan 8.150 nan 0.000 0.443 104 S N 0.647 116.197 115.700 -0.251 0.000 2.354 104 S HA -0.236 4.234 4.470 0.001 0.000 0.219 104 S C 1.822 176.348 174.600 -0.124 0.000 1.035 104 S CA 1.686 59.772 58.200 -0.189 0.000 1.037 104 S CB -0.623 62.446 63.200 -0.218 0.000 0.956 104 S HN 0.859 nan 8.310 nan 0.000 0.428 105 D N 1.126 121.464 120.400 -0.104 0.000 2.973 105 D HA -0.321 4.320 4.640 0.001 0.000 0.203 105 D C 0.635 176.911 176.300 -0.040 0.000 1.096 105 D CA 1.999 55.972 54.000 -0.045 0.000 0.876 105 D CB -0.535 40.257 40.800 -0.012 0.000 0.979 105 D HN 0.501 nan 8.370 nan 0.000 0.495 106 R N -0.822 119.654 120.500 -0.040 0.000 2.892 106 R HA -0.078 4.263 4.340 0.001 0.000 0.275 106 R C -0.405 175.890 176.300 -0.008 0.000 1.074 106 R CA 0.709 56.792 56.100 -0.029 0.000 0.694 106 R CB -1.439 28.843 30.300 -0.031 0.000 1.479 106 R HN 0.505 nan 8.270 nan 0.000 0.379 107 E N -0.643 119.561 120.200 0.007 0.000 4.003 107 E HA 0.063 4.413 4.350 0.001 0.000 0.198 107 E C 0.118 176.758 176.600 0.066 0.000 1.192 107 E CA -0.142 56.272 56.400 0.023 0.000 0.769 107 E CB -0.058 29.647 29.700 0.007 0.000 2.961 107 E HN 0.306 nan 8.360 nan 0.000 0.546 108 E N 0.527 120.776 120.200 0.082 0.000 2.489 108 E HA 0.174 4.524 4.350 0.001 0.000 0.193 108 E C 1.109 177.882 176.600 0.288 0.000 1.057 108 E CA 0.561 57.060 56.400 0.165 0.000 0.866 108 E CB 0.261 30.011 29.700 0.084 0.000 0.916 108 E HN 0.348 nan 8.360 nan 0.000 0.500 109 G N 0.881 109.777 108.800 0.160 0.000 3.088 109 G HA2 -0.112 3.849 3.960 0.001 0.000 0.217 109 G HA3 -0.112 3.849 3.960 0.001 0.000 0.217 109 G C 1.430 176.312 174.900 -0.030 0.000 1.159 109 G CA 0.470 45.626 45.100 0.094 0.000 0.760 109 G HN 0.369 nan 8.290 nan 0.000 0.550 110 T N -2.048 112.524 114.554 0.029 0.000 2.962 110 T HA -0.145 4.206 4.350 0.001 0.000 0.270 110 T C 2.051 176.681 174.700 -0.117 0.000 1.088 110 T CA 1.021 63.090 62.100 -0.051 0.000 1.127 110 T CB -0.416 68.447 68.868 -0.009 0.000 0.883 110 T HN 0.583 nan 8.240 nan 0.000 0.493 111 W N 2.345 123.496 121.300 -0.248 0.000 2.519 111 W HA 0.263 4.924 4.660 0.001 0.000 0.266 111 W C 0.138 176.384 176.519 -0.453 0.000 1.253 111 W CA -0.456 56.597 57.345 -0.486 0.000 1.274 111 W CB -0.744 28.280 29.460 -0.726 0.000 1.114 111 W HN 0.183 nan 8.180 nan 0.000 0.596 112 I N 4.471 124.327 120.570 -1.191 0.000 2.472 112 I HA -0.037 4.134 4.170 0.001 0.000 0.305 112 I C 1.164 176.912 176.117 -0.616 0.000 1.196 112 I CA 0.335 60.942 61.300 -1.155 0.000 1.613 112 I CB -0.549 36.949 38.000 -0.836 0.000 1.501 112 I HN -0.156 nan 8.210 nan 0.000 0.754 113 T N 1.261 115.497 114.554 -0.531 0.000 2.770 113 T HA 0.189 4.539 4.350 0.001 0.000 0.281 113 T C 1.365 175.937 174.700 -0.212 0.000 0.981 113 T CA -0.619 61.302 62.100 -0.298 0.000 0.955 113 T CB 1.271 70.006 68.868 -0.222 0.000 1.060 113 T HN 0.571 nan 8.240 nan 0.000 0.531 114 R N 0.048 120.471 120.500 -0.129 0.000 2.091 114 R HA -0.079 4.261 4.340 0.001 0.000 0.238 114 R C 2.433 178.710 176.300 -0.039 0.000 1.136 114 R CA 1.931 57.984 56.100 -0.080 0.000 0.959 114 R CB -1.360 28.910 30.300 -0.051 0.000 0.856 114 R HN 0.849 nan 8.270 nan 0.000 0.437 115 G N 0.379 109.169 108.800 -0.016 0.000 2.440 115 G HA2 -0.222 3.739 3.960 0.001 0.000 0.218 115 G HA3 -0.222 3.739 3.960 0.001 0.000 0.218 115 G C 1.435 176.382 174.900 0.078 0.000 1.154 115 G CA 0.966 46.095 45.100 0.049 0.000 0.767 115 G HN 0.245 nan 8.290 nan 0.000 0.552 116 V N 0.482 120.396 119.914 -0.001 0.000 2.358 116 V HA -0.155 3.966 4.120 0.001 0.000 0.246 116 V C 3.041 179.183 176.094 0.081 0.000 1.047 116 V CA 1.408 63.717 62.300 0.014 0.000 1.035 116 V CB -0.306 31.256 31.823 -0.435 0.000 0.658 116 V HN 0.254 nan 8.190 nan 0.000 0.452 117 V N 0.042 119.927 119.914 -0.050 0.000 2.287 117 V HA -0.324 3.797 4.120 0.001 0.000 0.248 117 V C 2.403 178.591 176.094 0.156 0.000 1.053 117 V CA 2.331 64.630 62.300 -0.001 0.000 1.027 117 V CB -0.742 31.038 31.823 -0.072 0.000 0.646 117 V HN 0.601 nan 8.190 nan 0.000 0.447 118 E N 0.211 120.482 120.200 0.119 0.000 2.058 118 E HA -0.210 4.141 4.350 0.001 0.000 0.194 118 E C 2.355 179.059 176.600 0.173 0.000 0.997 118 E CA 1.383 57.861 56.400 0.130 0.000 0.801 118 E CB -0.435 29.305 29.700 0.068 0.000 0.746 118 E HN 0.592 nan 8.360 nan 0.000 0.450 119 A N 0.593 123.523 122.820 0.184 0.000 1.873 119 A HA -0.223 4.097 4.320 0.001 0.000 0.218 119 A C 1.908 179.565 177.584 0.121 0.000 1.193 119 A CA 1.626 53.755 52.037 0.154 0.000 0.629 119 A CB -0.928 18.187 19.000 0.192 0.000 0.826 119 A HN 0.306 nan 8.150 nan 0.000 0.447 120 Y N -1.365 119.049 120.300 0.191 0.000 2.373 120 Y HA -0.092 4.459 4.550 0.001 0.000 0.293 120 Y C 2.287 178.286 175.900 0.165 0.000 1.129 120 Y CA 1.314 59.551 58.100 0.229 0.000 1.226 120 Y CB -0.686 37.984 38.460 0.351 0.000 1.000 120 Y HN 0.627 nan 8.280 nan 0.000 0.549 121 H N -0.273 118.941 119.070 0.241 0.000 2.389 121 H HA -0.084 4.472 4.556 0.001 0.000 0.299 121 H C 2.332 177.632 175.328 -0.048 0.000 1.081 121 H CA 1.141 57.245 56.048 0.092 0.000 1.345 121 H CB 0.226 30.073 29.762 0.142 0.000 1.393 121 H HN 0.122 nan 8.280 nan 0.000 0.520 122 R N -0.035 120.554 120.500 0.148 0.000 2.081 122 R HA -0.121 4.220 4.340 0.001 0.000 0.235 122 R C 2.345 178.628 176.300 -0.028 0.000 1.131 122 R CA 1.339 57.465 56.100 0.044 0.000 0.960 122 R CB -0.172 30.149 30.300 0.036 0.000 0.856 122 R HN 0.372 nan 8.270 nan 0.000 0.436 123 L N -0.677 120.513 121.223 -0.055 0.000 2.083 123 L HA -0.211 4.129 4.340 0.001 0.000 0.209 123 L C 2.528 179.258 176.870 -0.232 0.000 1.083 123 L CA 1.438 56.227 54.840 -0.084 0.000 0.752 123 L CB -0.556 41.435 42.059 -0.114 0.000 0.899 123 L HN 0.311 nan 8.230 nan 0.000 0.433 124 H N 0.366 119.130 119.070 -0.510 0.000 2.387 124 H HA -0.155 4.402 4.556 0.001 0.000 0.299 124 H C 2.065 177.133 175.328 -0.433 0.000 1.090 124 H CA 1.809 57.384 56.048 -0.789 0.000 1.332 124 H CB 0.143 28.891 29.762 -1.692 0.000 1.386 124 H HN 0.321 nan 8.280 nan 0.000 0.516 125 E N 0.121 120.076 120.200 -0.409 0.000 2.107 125 E HA -0.073 4.278 4.350 0.001 0.000 0.191 125 E C 1.985 178.421 176.600 -0.274 0.000 0.982 125 E CA 0.912 57.119 56.400 -0.321 0.000 0.809 125 E CB 0.044 29.684 29.700 -0.100 0.000 0.756 125 E HN 0.493 nan 8.360 nan 0.000 0.459 126 L N 0.084 121.181 121.223 -0.210 0.000 2.622 126 L HA 0.043 4.383 4.340 0.001 0.000 0.233 126 L C 1.215 177.835 176.870 -0.417 0.000 1.156 126 L CA 0.499 55.232 54.840 -0.178 0.000 0.866 126 L CB -0.331 41.728 42.059 0.000 0.000 0.980 126 L HN 0.313 nan 8.230 nan 0.000 0.448 127 G N -0.327 108.174 108.800 -0.497 0.000 2.137 127 G HA2 -0.291 3.670 3.960 0.001 0.000 0.237 127 G HA3 -0.291 3.670 3.960 0.001 0.000 0.237 127 G C 0.296 174.764 174.900 -0.720 0.000 1.002 127 G CA 0.477 45.239 45.100 -0.563 0.000 0.702 127 G HN 0.577 nan 8.290 nan 0.000 0.515 128 H N -0.557 118.293 119.070 -0.367 0.000 2.788 128 H HA 0.611 5.167 4.556 0.001 0.000 0.262 128 H C 1.596 176.614 175.328 -0.516 0.000 0.968 128 H CA 0.629 56.488 56.048 -0.315 0.000 1.218 128 H CB 0.724 30.385 29.762 -0.168 0.000 1.443 128 H HN 0.683 nan 8.280 nan 0.000 0.478 129 A N 1.615 124.151 122.820 -0.473 0.000 2.305 129 A HA 0.461 4.781 4.320 0.001 0.000 0.322 129 A C -0.759 176.567 177.584 -0.429 0.000 1.187 129 A CA -0.475 51.403 52.037 -0.266 0.000 0.825 129 A CB 0.533 19.537 19.000 0.007 0.000 1.164 129 A HN 0.349 nan 8.150 nan 0.000 0.498 130 H N 0.553 119.795 119.070 0.288 0.000 2.834 130 H HA 0.716 5.273 4.556 0.001 0.000 0.369 130 H C -0.600 175.041 175.328 0.522 0.000 1.174 130 H CA -0.310 55.945 56.048 0.345 0.000 1.165 130 H CB 2.231 31.923 29.762 -0.117 0.000 1.820 130 H HN 0.783 nan 8.280 nan 0.000 0.558 131 S N 1.329 117.355 115.700 0.543 0.000 2.541 131 S HA 0.529 4.999 4.470 0.001 0.000 0.280 131 S C -0.912 173.809 174.600 0.202 0.000 1.112 131 S CA -0.886 57.480 58.200 0.276 0.000 0.925 131 S CB 1.617 64.847 63.200 0.050 0.000 1.067 131 S HN 0.351 nan 8.310 nan 0.000 0.479 132 I N 1.948 122.565 120.570 0.078 0.000 2.404 132 I HA 0.499 4.670 4.170 0.001 0.000 0.293 132 I C -0.404 175.692 176.117 -0.035 0.000 0.992 132 I CA -0.597 60.728 61.300 0.041 0.000 1.149 132 I CB 1.397 39.386 38.000 -0.019 0.000 1.315 132 I HN 0.772 nan 8.210 nan 0.000 0.446 133 E N 4.656 124.830 120.200 -0.044 0.000 2.158 133 E HA 0.481 4.831 4.350 0.001 0.000 0.271 133 E C -0.873 175.479 176.600 -0.415 0.000 0.911 133 E CA -0.526 55.707 56.400 -0.279 0.000 0.767 133 E CB 2.381 31.929 29.700 -0.254 0.000 1.120 133 E HN 0.248 nan 8.360 nan 0.000 0.405 134 V N 3.428 122.995 119.914 -0.578 0.000 2.383 134 V HA 0.377 4.497 4.120 0.001 0.000 0.275 134 V C -0.876 174.858 176.094 -0.600 0.000 1.036 134 V CA -0.754 61.270 62.300 -0.461 0.000 0.889 134 V CB 0.142 31.657 31.823 -0.512 0.000 0.985 134 V HN 0.607 nan 8.190 nan 0.000 0.459 135 W N 4.201 125.489 121.300 -0.020 0.000 2.573 135 W HA 0.769 5.429 4.660 0.001 0.000 0.326 135 W C 0.093 176.704 176.519 0.154 0.000 1.049 135 W CA -0.796 56.572 57.345 0.039 0.000 1.220 135 W CB 1.483 30.976 29.460 0.055 0.000 1.373 135 W HN 0.347 nan 8.180 nan 0.000 0.507 136 R N 2.909 123.641 120.500 0.387 0.000 2.371 136 R HA 0.344 4.685 4.340 0.001 0.000 0.312 136 R C 0.235 176.701 176.300 0.278 0.000 0.980 136 R CA -0.409 55.919 56.100 0.379 0.000 0.867 136 R CB 0.050 30.571 30.300 0.368 0.000 1.163 136 R HN 0.789 nan 8.270 nan 0.000 0.492 137 E N 1.724 122.055 120.200 0.219 0.000 2.952 137 E HA -0.278 4.073 4.350 0.001 0.000 0.355 137 E C -0.523 176.169 176.600 0.153 0.000 1.430 137 E CA 1.655 58.142 56.400 0.145 0.000 1.310 137 E CB -0.983 28.791 29.700 0.124 0.000 1.735 137 E HN 0.674 nan 8.360 nan 0.000 0.535 138 D N 0.849 121.337 120.400 0.146 0.000 2.433 138 D HA 0.133 4.774 4.640 0.001 0.000 0.211 138 D C -0.261 176.213 176.300 0.290 0.000 1.114 138 D CA 0.278 54.352 54.000 0.122 0.000 0.837 138 D CB 0.343 41.172 40.800 0.049 0.000 0.984 138 D HN 0.210 nan 8.370 nan 0.000 0.505 139 E N 0.821 121.226 120.200 0.341 0.000 2.242 139 E HA 0.290 4.641 4.350 0.001 0.000 0.275 139 E C -0.727 176.106 176.600 0.388 0.000 1.002 139 E CA -0.869 55.745 56.400 0.356 0.000 0.841 139 E CB 1.263 31.080 29.700 0.194 0.000 1.109 139 E HN -0.162 nan 8.360 nan 0.000 0.394 140 L N 5.833 127.157 121.223 0.169 0.000 2.313 140 L HA 0.154 4.495 4.340 0.001 0.000 0.282 140 L C 0.136 176.914 176.870 -0.153 0.000 1.092 140 L CA 0.219 54.856 54.840 -0.339 0.000 0.831 140 L CB 1.256 43.053 42.059 -0.438 0.000 1.159 140 L HN 0.594 nan 8.230 nan 0.000 0.442 141 V N 2.242 121.993 119.914 -0.271 0.000 3.477 141 V HA 0.839 4.959 4.120 0.001 0.000 0.297 141 V C 0.550 176.340 176.094 -0.507 0.000 1.433 141 V CA 0.449 62.604 62.300 -0.242 0.000 1.052 141 V CB -0.435 31.272 31.823 -0.194 0.000 0.895 141 V HN 0.957 nan 8.190 nan 0.000 0.438 142 G N -1.823 106.534 108.800 -0.739 0.000 2.328 142 G HA2 0.670 4.630 3.960 0.001 0.000 0.295 142 G HA3 0.670 4.630 3.960 0.001 0.000 0.295 142 G C -0.502 173.843 174.900 -0.926 0.000 1.413 142 G CA 0.331 44.673 45.100 -1.262 0.000 0.817 142 G HN 1.377 nan 8.290 nan 0.000 0.546 143 G N -1.253 107.049 108.800 -0.830 0.000 2.344 143 G HA2 0.734 4.694 3.960 0.001 0.000 0.282 143 G HA3 0.734 4.694 3.960 0.001 0.000 0.282 143 G C -0.843 173.974 174.900 -0.139 0.000 1.281 143 G CA 0.575 45.471 45.100 -0.339 0.000 0.877 143 G HN 2.100 nan 8.290 nan 0.000 0.494 144 M N -1.450 118.137 119.600 -0.021 0.000 2.732 144 M HA 0.797 5.278 4.480 0.001 0.000 0.272 144 M C -1.503 174.867 176.300 0.117 0.000 1.203 144 M CA -1.109 54.223 55.300 0.053 0.000 0.841 144 M CB 2.249 34.820 32.600 -0.048 0.000 1.685 144 M HN 1.651 nan 8.290 nan 0.000 0.492 145 Y N -1.039 119.226 120.300 -0.059 0.000 2.597 145 Y HA 1.016 5.567 4.550 0.001 0.000 0.340 145 Y C -0.807 175.145 175.900 0.088 0.000 1.097 145 Y CA -0.366 57.734 58.100 -0.000 0.000 1.037 145 Y CB 1.470 39.749 38.460 -0.302 0.000 1.305 145 Y HN 1.190 nan 8.280 nan 0.000 0.463 146 G N 0.249 109.102 108.800 0.089 0.000 2.550 146 G HA2 0.514 4.475 3.960 0.001 0.000 0.293 146 G HA3 0.514 4.475 3.960 0.001 0.000 0.293 146 G C -2.372 172.327 174.900 -0.335 0.000 1.402 146 G CA -0.797 44.052 45.100 -0.419 0.000 0.784 146 G HN 0.733 nan 8.290 nan 0.000 0.482 147 V N 0.663 120.227 119.914 -0.582 0.000 2.427 147 V HA 0.694 4.815 4.120 0.001 0.000 0.286 147 V C 0.800 176.680 176.094 -0.356 0.000 1.034 147 V CA -0.279 61.772 62.300 -0.416 0.000 0.893 147 V CB 1.106 32.491 31.823 -0.729 0.000 0.982 147 V HN 1.250 nan 8.190 nan 0.000 0.452 148 A N 3.827 126.654 122.820 0.012 0.000 2.316 148 A HA 0.724 5.045 4.320 0.001 0.000 0.284 148 A C -0.122 177.604 177.584 0.236 0.000 1.115 148 A CA -0.311 51.906 52.037 0.299 0.000 0.812 148 A CB 0.879 20.132 19.000 0.421 0.000 1.064 148 A HN 0.749 nan 8.150 nan 0.000 0.489 149 Q N 0.869 120.855 119.800 0.311 0.000 3.429 149 Q HA 0.472 4.813 4.340 0.001 0.000 0.237 149 Q C 0.387 176.553 176.000 0.278 0.000 0.932 149 Q CA 0.919 56.871 55.803 0.247 0.000 0.731 149 Q CB 0.549 29.416 28.738 0.215 0.000 1.383 149 Q HN 2.060 nan 8.270 nan 0.000 0.446 150 G N 0.505 109.484 108.800 0.298 0.000 2.550 150 G HA2 -0.409 3.552 3.960 0.001 0.000 0.277 150 G HA3 -0.409 3.552 3.960 0.001 0.000 0.277 150 G C 0.745 175.822 174.900 0.295 0.000 1.190 150 G CA 0.474 45.727 45.100 0.256 0.000 0.971 150 G HN 0.887 nan 8.290 nan 0.000 0.559 151 T N -0.898 113.768 114.554 0.187 0.000 3.160 151 T HA 0.426 4.777 4.350 0.001 0.000 0.257 151 T C 0.814 175.686 174.700 0.285 0.000 1.147 151 T CA 1.502 63.667 62.100 0.109 0.000 1.064 151 T CB 0.056 68.909 68.868 -0.024 0.000 0.949 151 T HN 1.335 nan 8.240 nan 0.000 0.526 152 L N 0.671 122.126 121.223 0.386 0.000 2.331 152 L HA 0.772 5.113 4.340 0.001 0.000 0.275 152 L C -1.308 175.920 176.870 0.596 0.000 1.022 152 L CA -1.672 53.435 54.840 0.445 0.000 0.812 152 L CB 1.505 43.728 42.059 0.273 0.000 1.257 152 L HN 0.191 nan 8.230 nan 0.000 0.435 153 F N 4.391 124.565 119.950 0.373 0.000 2.507 153 F HA 0.472 5.000 4.527 0.001 0.000 0.328 153 F C -0.721 175.161 175.800 0.137 0.000 1.136 153 F CA -0.758 57.389 58.000 0.245 0.000 0.930 153 F CB 1.125 40.192 39.000 0.112 0.000 1.166 153 F HN 0.500 nan 8.300 nan 0.000 0.436 154 C N 4.801 123.803 119.300 -0.496 0.000 2.256 154 C HA 0.586 5.046 4.460 0.001 0.000 0.333 154 C C 1.007 175.598 174.990 -0.665 0.000 1.183 154 C CA -0.796 58.015 59.018 -0.344 0.000 1.692 154 C CB -0.511 27.195 27.740 -0.055 0.000 2.274 154 C HN 1.011 nan 8.230 nan 0.000 0.509 155 G N 3.135 111.714 108.800 -0.370 0.000 2.360 155 G HA2 0.268 4.229 3.960 0.001 0.000 0.279 155 G HA3 0.268 4.229 3.960 0.001 0.000 0.279 155 G C 0.656 175.345 174.900 -0.351 0.000 1.189 155 G CA -0.021 44.901 45.100 -0.295 0.000 0.941 155 G HN 0.777 nan 8.290 nan 0.000 0.445 156 E N 0.962 120.868 120.200 -0.491 0.000 2.057 156 E HA 0.061 4.412 4.350 0.001 0.000 0.190 156 E C 0.973 177.328 176.600 -0.407 0.000 0.969 156 E CA 0.712 56.812 56.400 -0.501 0.000 0.812 156 E CB 0.517 29.736 29.700 -0.802 0.000 0.777 156 E HN 0.437 nan 8.360 nan 0.000 0.455 157 S N -0.933 114.455 115.700 -0.520 0.000 2.587 157 S HA 0.582 5.052 4.470 0.001 0.000 0.269 157 S C -1.518 173.047 174.600 -0.059 0.000 1.154 157 S CA -0.759 57.337 58.200 -0.173 0.000 0.824 157 S CB 0.867 64.099 63.200 0.054 0.000 1.118 157 S HN 0.161 nan 8.310 nan 0.000 0.462 158 M N 1.935 121.557 119.600 0.037 0.000 2.575 158 M HA 0.900 5.381 4.480 0.001 0.000 0.284 158 M C -1.399 174.974 176.300 0.122 0.000 1.253 158 M CA -0.891 54.444 55.300 0.060 0.000 0.861 158 M CB 1.977 34.569 32.600 -0.014 0.000 1.733 158 M HN 0.704 nan 8.290 nan 0.000 0.462 159 F N -0.837 119.052 119.950 -0.102 0.000 2.668 159 F HA 0.898 5.426 4.527 0.001 0.000 0.309 159 F C -1.609 174.102 175.800 -0.147 0.000 1.117 159 F CA -0.645 57.281 58.000 -0.124 0.000 0.951 159 F CB 1.754 40.681 39.000 -0.121 0.000 1.323 159 F HN 0.851 nan 8.300 nan 0.000 0.451 160 S N 1.239 116.748 115.700 -0.318 0.000 2.546 160 S HA 0.603 5.073 4.470 0.001 0.000 0.272 160 S C -0.608 173.896 174.600 -0.161 0.000 1.140 160 S CA -0.746 57.198 58.200 -0.427 0.000 0.920 160 S CB 1.547 64.567 63.200 -0.300 0.000 1.083 160 S HN 0.788 nan 8.310 nan 0.000 0.476 161 R N 2.665 123.059 120.500 -0.176 0.000 2.572 161 R HA 0.405 4.746 4.340 0.001 0.000 0.370 161 R C -0.515 175.759 176.300 -0.043 0.000 1.005 161 R CA 0.065 56.143 56.100 -0.037 0.000 1.146 161 R CB 0.298 30.627 30.300 0.047 0.000 1.390 161 R HN 0.717 nan 8.270 nan 0.000 0.553 162 M N 0.479 120.030 119.600 -0.082 0.000 2.365 162 M HA 0.182 4.663 4.480 0.001 0.000 0.288 162 M C -1.278 175.026 176.300 0.007 0.000 1.152 162 M CA -0.677 54.627 55.300 0.006 0.000 0.948 162 M CB 2.793 35.445 32.600 0.086 0.000 1.729 162 M HN -0.184 nan 8.290 nan 0.000 0.487 163 E N 2.514 122.731 120.200 0.028 0.000 2.708 163 E HA -0.069 4.282 4.350 0.001 0.000 0.260 163 E C -0.062 176.504 176.600 -0.057 0.000 0.937 163 E CA 1.847 58.218 56.400 -0.050 0.000 0.953 163 E CB -0.100 29.544 29.700 -0.094 0.000 0.915 163 E HN 0.719 nan 8.360 nan 0.000 0.487 164 N N 1.424 120.044 118.700 -0.134 0.000 2.778 164 N HA -0.361 4.380 4.740 0.001 0.000 0.249 164 N C 0.619 176.171 175.510 0.070 0.000 1.069 164 N CA 0.278 53.264 53.050 -0.106 0.000 0.831 164 N CB -0.809 37.403 38.487 -0.460 0.000 1.142 164 N HN 0.507 nan 8.380 nan 0.000 0.573 165 A N 0.303 123.073 122.820 -0.082 0.000 1.855 165 A HA -0.092 4.229 4.320 0.001 0.000 0.215 165 A C 2.193 179.615 177.584 -0.270 0.000 1.191 165 A CA 1.977 53.797 52.037 -0.362 0.000 0.613 165 A CB -0.529 18.130 19.000 -0.568 0.000 0.829 165 A HN 0.358 nan 8.150 nan 0.000 0.442 166 S N 0.347 115.904 115.700 -0.239 0.000 2.392 166 S HA -0.249 4.221 4.470 0.001 0.000 0.225 166 S C 1.939 176.493 174.600 -0.078 0.000 1.041 166 S CA 1.832 59.929 58.200 -0.171 0.000 1.100 166 S CB -0.480 62.659 63.200 -0.102 0.000 1.029 166 S HN 0.615 nan 8.310 nan 0.000 0.424 167 K N 0.581 120.969 120.400 -0.019 0.000 2.107 167 K HA -0.162 4.158 4.320 0.001 0.000 0.211 167 K C 2.355 178.919 176.600 -0.060 0.000 1.049 167 K CA 1.799 58.074 56.287 -0.021 0.000 0.927 167 K CB -0.802 31.689 32.500 -0.015 0.000 0.714 167 K HN 0.383 nan 8.250 nan 0.000 0.452 168 T N 1.102 115.635 114.554 -0.036 0.000 2.652 168 T HA -0.212 4.139 4.350 0.001 0.000 0.267 168 T C 2.047 176.678 174.700 -0.114 0.000 1.039 168 T CA 1.606 63.666 62.100 -0.067 0.000 1.153 168 T CB -0.373 68.567 68.868 0.121 0.000 0.863 168 T HN 0.404 nan 8.240 nan 0.000 0.428 169 A N 1.849 124.613 122.820 -0.093 0.000 1.858 169 A HA -0.021 4.299 4.320 0.001 0.000 0.216 169 A C 2.291 179.873 177.584 -0.003 0.000 1.190 169 A CA 1.176 53.175 52.037 -0.063 0.000 0.617 169 A CB -0.954 17.978 19.000 -0.113 0.000 0.827 169 A HN 0.392 nan 8.150 nan 0.000 0.443 170 L N -0.274 120.941 121.223 -0.013 0.000 2.127 170 L HA -0.124 4.216 4.340 0.001 0.000 0.211 170 L C 2.268 179.162 176.870 0.040 0.000 1.089 170 L CA 1.939 56.806 54.840 0.045 0.000 0.757 170 L CB -0.928 41.140 42.059 0.016 0.000 0.899 170 L HN 0.573 nan 8.230 nan 0.000 0.434 171 L N -1.274 119.914 121.223 -0.058 0.000 1.973 171 L HA -0.185 4.156 4.340 0.001 0.000 0.208 171 L C 2.444 179.240 176.870 -0.123 0.000 1.073 171 L CA 1.321 56.082 54.840 -0.133 0.000 0.746 171 L CB -0.256 41.628 42.059 -0.293 0.000 0.891 171 L HN 0.011 nan 8.230 nan 0.000 0.433 172 V N 0.013 119.832 119.914 -0.158 0.000 2.343 172 V HA -0.330 3.791 4.120 0.001 0.000 0.247 172 V C 2.305 178.417 176.094 0.030 0.000 1.051 172 V CA 2.122 64.372 62.300 -0.083 0.000 1.036 172 V CB -0.929 30.854 31.823 -0.068 0.000 0.654 172 V HN 0.553 nan 8.190 nan 0.000 0.451 173 F N 0.730 120.648 119.950 -0.053 0.000 2.095 173 F HA -0.255 4.273 4.527 0.001 0.000 0.298 173 F C 2.430 178.252 175.800 0.036 0.000 1.104 173 F CA 1.707 59.684 58.000 -0.037 0.000 1.232 173 F CB -0.914 38.011 39.000 -0.125 0.000 0.987 173 F HN 0.145 nan 8.300 nan 0.000 0.475 174 C N 0.811 120.006 119.300 -0.175 0.000 2.413 174 C HA -0.178 4.283 4.460 0.001 0.000 0.276 174 C C 2.721 177.651 174.990 -0.100 0.000 1.248 174 C CA 1.509 60.429 59.018 -0.165 0.000 1.742 174 C CB -1.212 26.526 27.740 -0.003 0.000 2.017 174 C HN 0.562 nan 8.230 nan 0.000 0.481 175 E N 0.125 120.285 120.200 -0.067 0.000 2.047 175 E HA -0.183 4.168 4.350 0.001 0.000 0.191 175 E C 2.282 178.864 176.600 -0.030 0.000 0.987 175 E CA 0.798 57.175 56.400 -0.039 0.000 0.799 175 E CB -0.227 29.463 29.700 -0.016 0.000 0.752 175 E HN 0.541 nan 8.360 nan 0.000 0.449 176 E N 0.299 120.499 120.200 -0.000 0.000 2.077 176 E HA -0.177 4.173 4.350 0.001 0.000 0.193 176 E C 1.844 178.566 176.600 0.203 0.000 0.989 176 E CA 0.737 57.208 56.400 0.117 0.000 0.800 176 E CB -0.192 29.574 29.700 0.110 0.000 0.746 176 E HN 0.146 nan 8.360 nan 0.000 0.452 177 F N 1.834 121.622 119.950 -0.271 0.000 2.031 177 F HA -0.171 4.356 4.527 0.001 0.000 0.295 177 F C 2.346 177.978 175.800 -0.279 0.000 1.133 177 F CA 1.675 59.423 58.000 -0.421 0.000 1.188 177 F CB -0.625 37.829 39.000 -0.910 0.000 0.974 177 F HN -0.020 nan 8.300 nan 0.000 0.473 178 I N -1.628 118.834 120.570 -0.180 0.000 2.756 178 I HA 0.019 4.190 4.170 0.001 0.000 0.262 178 I C 2.274 178.265 176.117 -0.211 0.000 1.225 178 I CA 1.297 62.464 61.300 -0.221 0.000 1.472 178 I CB -1.530 36.414 38.000 -0.093 0.000 1.094 178 I HN 0.186 nan 8.210 nan 0.000 0.454 179 G N 0.095 108.773 108.800 -0.203 0.000 2.511 179 G HA2 -0.119 3.841 3.960 0.001 0.000 0.217 179 G HA3 -0.119 3.841 3.960 0.001 0.000 0.217 179 G C 0.831 175.469 174.900 -0.437 0.000 1.133 179 G CA 0.321 45.243 45.100 -0.296 0.000 0.792 179 G HN 0.594 nan 8.290 nan 0.000 0.539 180 H N -1.383 117.578 119.070 -0.182 0.000 2.467 180 H HA 0.402 4.959 4.556 0.001 0.000 0.275 180 H C 1.557 176.667 175.328 -0.362 0.000 1.131 180 H CA 0.132 56.046 56.048 -0.223 0.000 0.989 180 H CB 0.680 30.343 29.762 -0.164 0.000 1.696 180 H HN 0.309 nan 8.280 nan 0.000 0.574 181 G N -0.043 108.592 108.800 -0.275 0.000 2.234 181 G HA2 -0.267 3.694 3.960 0.001 0.000 0.235 181 G HA3 -0.267 3.694 3.960 0.001 0.000 0.235 181 G C 0.959 175.565 174.900 -0.491 0.000 0.997 181 G CA -0.239 44.680 45.100 -0.302 0.000 0.623 181 G HN 0.706 nan 8.290 nan 0.000 0.514 182 G N -0.042 108.235 108.800 -0.872 0.000 2.287 182 G HA2 0.390 4.351 3.960 0.001 0.000 0.235 182 G HA3 0.390 4.351 3.960 0.001 0.000 0.235 182 G C 0.615 174.958 174.900 -0.928 0.000 1.258 182 G CA 1.083 45.157 45.100 -1.710 0.000 0.884 182 G HN 0.445 nan 8.290 nan 0.000 0.518 183 K N 0.297 120.374 120.400 -0.538 0.000 2.462 183 K HA 0.417 4.738 4.320 0.001 0.000 0.201 183 K C 0.407 177.082 176.600 0.125 0.000 1.268 183 K CA 0.093 56.325 56.287 -0.093 0.000 0.933 183 K CB 0.510 33.004 32.500 -0.010 0.000 1.162 183 K HN 0.385 nan 8.250 nan 0.000 0.527 184 L N 0.564 121.940 121.223 0.255 0.000 2.518 184 L HA 0.465 4.806 4.340 0.001 0.000 0.257 184 L C -1.745 175.326 176.870 0.335 0.000 0.980 184 L CA -1.010 53.917 54.840 0.144 0.000 0.837 184 L CB 1.940 43.896 42.059 -0.173 0.000 1.410 184 L HN -0.107 nan 8.230 nan 0.000 0.410 185 I N 1.710 122.358 120.570 0.130 0.000 2.466 185 I HA 0.288 4.459 4.170 0.001 0.000 0.289 185 I C -0.553 175.582 176.117 0.029 0.000 1.026 185 I CA -0.279 61.125 61.300 0.173 0.000 1.078 185 I CB 1.690 39.802 38.000 0.187 0.000 1.249 185 I HN 0.353 nan 8.210 nan 0.000 0.429 186 D N 4.452 124.880 120.400 0.046 0.000 2.277 186 D HA 0.276 4.916 4.640 0.001 0.000 0.249 186 D C 0.083 176.299 176.300 -0.141 0.000 1.134 186 D CA -0.148 53.815 54.000 -0.061 0.000 0.863 186 D CB 1.177 41.974 40.800 -0.005 0.000 1.143 186 D HN 0.595 nan 8.370 nan 0.000 0.458 187 C N 2.909 122.096 119.300 -0.188 0.000 3.038 187 C HA 0.191 4.651 4.460 0.001 0.000 0.279 187 C C 1.460 176.280 174.990 -0.284 0.000 1.276 187 C CA -0.158 58.739 59.018 -0.202 0.000 1.697 187 C CB -1.659 25.991 27.740 -0.150 0.000 2.032 187 C HN 0.846 nan 8.230 nan 0.000 0.636 188 Q N -0.371 119.235 119.800 -0.324 0.000 1.949 188 Q HA -0.284 4.057 4.340 0.001 0.000 0.274 188 Q C 0.074 175.931 176.000 -0.238 0.000 2.541 188 Q CA 2.011 57.605 55.803 -0.348 0.000 0.674 188 Q CB -1.330 26.977 28.738 -0.717 0.000 1.303 188 Q HN 0.415 nan 8.270 nan 0.000 0.598 189 V N 1.571 121.315 119.914 -0.284 0.000 2.448 189 V HA 0.389 4.510 4.120 0.001 0.000 0.295 189 V C -0.282 175.693 176.094 -0.199 0.000 1.025 189 V CA -0.681 61.479 62.300 -0.234 0.000 0.859 189 V CB 1.612 33.248 31.823 -0.311 0.000 0.988 189 V HN 0.375 nan 8.190 nan 0.000 0.431 190 L N 6.095 127.231 121.223 -0.145 0.000 2.410 190 L HA 0.357 4.697 4.340 0.001 0.000 0.273 190 L C 0.005 176.812 176.870 -0.105 0.000 1.144 190 L CA 0.689 55.462 54.840 -0.111 0.000 0.863 190 L CB 0.489 42.501 42.059 -0.078 0.000 1.140 190 L HN 1.034 nan 8.230 nan 0.000 0.463 191 N N 2.831 121.477 118.700 -0.089 0.000 3.255 191 N HA 0.343 5.083 4.740 0.001 0.000 0.359 191 N C 0.232 175.717 175.510 -0.041 0.000 1.463 191 N CA -0.613 52.395 53.050 -0.070 0.000 0.695 191 N CB 0.488 38.932 38.487 -0.072 0.000 1.581 191 N HN 0.453 nan 8.380 nan 0.000 0.622 192 D N -1.527 118.863 120.400 -0.018 0.000 2.106 192 D HA -0.131 4.509 4.640 0.001 0.000 0.203 192 D C 1.428 177.738 176.300 0.016 0.000 0.977 192 D CA 1.456 55.453 54.000 -0.003 0.000 0.844 192 D CB -0.617 40.186 40.800 0.006 0.000 1.002 192 D HN 0.647 nan 8.370 nan 0.000 0.461 193 H N 0.803 119.846 119.070 -0.044 0.000 2.289 193 H HA -0.150 4.406 4.556 0.001 0.000 0.296 193 H C 2.112 177.420 175.328 -0.034 0.000 1.091 193 H CA 2.637 58.662 56.048 -0.038 0.000 1.274 193 H CB -0.496 29.239 29.762 -0.044 0.000 1.364 193 H HN -0.004 nan 8.280 nan 0.000 0.490 194 T N -0.764 113.744 114.554 -0.077 0.000 2.684 194 T HA -0.179 4.171 4.350 0.001 0.000 0.267 194 T C 2.180 176.807 174.700 -0.121 0.000 1.036 194 T CA 1.935 63.958 62.100 -0.128 0.000 1.148 194 T CB -0.834 67.993 68.868 -0.068 0.000 0.863 194 T HN 0.547 nan 8.240 nan 0.000 0.436 195 A N 1.278 124.047 122.820 -0.084 0.000 1.883 195 A HA -0.074 4.247 4.320 0.001 0.000 0.217 195 A C 2.605 180.140 177.584 -0.081 0.000 1.186 195 A CA 2.561 54.557 52.037 -0.068 0.000 0.624 195 A CB -1.174 17.793 19.000 -0.054 0.000 0.822 195 A HN 0.767 nan 8.150 nan 0.000 0.444 196 S N -0.410 115.234 115.700 -0.092 0.000 2.493 196 S HA -0.000 4.470 4.470 0.001 0.000 0.243 196 S C 1.383 175.952 174.600 -0.052 0.000 0.991 196 S CA 1.340 59.492 58.200 -0.080 0.000 0.957 196 S CB -0.450 62.715 63.200 -0.058 0.000 0.756 196 S HN 0.454 nan 8.310 nan 0.000 0.521 197 L N 0.076 121.237 121.223 -0.103 0.000 2.616 197 L HA 0.382 4.723 4.340 0.001 0.000 0.229 197 L C 1.801 178.681 176.870 0.017 0.000 1.110 197 L CA 0.464 55.269 54.840 -0.057 0.000 0.884 197 L CB 0.124 42.080 42.059 -0.172 0.000 1.115 197 L HN 0.594 nan 8.230 nan 0.000 0.481 198 G N -0.214 108.586 108.800 -0.001 0.000 2.227 198 G HA2 -0.171 3.790 3.960 0.001 0.000 0.168 198 G HA3 -0.171 3.790 3.960 0.001 0.000 0.168 198 G C 0.416 175.338 174.900 0.036 0.000 1.006 198 G CA -0.195 44.926 45.100 0.036 0.000 0.684 198 G HN 0.341 nan 8.290 nan 0.000 0.489 199 A N 0.110 122.927 122.820 -0.005 0.000 2.540 199 A HA 0.536 4.857 4.320 0.001 0.000 0.239 199 A C 0.989 178.578 177.584 0.008 0.000 1.061 199 A CA 0.959 52.988 52.037 -0.014 0.000 0.758 199 A CB -0.277 18.692 19.000 -0.052 0.000 0.991 199 A HN 2.085 nan 8.150 nan 0.000 0.502 200 C N 1.633 120.953 119.300 0.033 0.000 2.797 200 C HA 0.769 5.229 4.460 0.001 0.000 0.306 200 C C -0.446 174.579 174.990 0.058 0.000 1.207 200 C CA -0.880 58.175 59.018 0.062 0.000 1.507 200 C CB 0.659 28.479 27.740 0.133 0.000 2.028 200 C HN 0.909 nan 8.230 nan 0.000 0.475 201 E N 1.588 121.818 120.200 0.051 0.000 2.349 201 E HA 0.677 5.027 4.350 0.001 0.000 0.265 201 E C -0.210 176.452 176.600 0.103 0.000 1.064 201 E CA -0.157 56.273 56.400 0.049 0.000 0.886 201 E CB 1.320 31.035 29.700 0.026 0.000 1.036 201 E HN 0.764 nan 8.360 nan 0.000 0.413 202 I N -1.901 118.737 120.570 0.113 0.000 3.006 202 I HA 0.531 4.701 4.170 0.001 0.000 0.306 202 I C -2.897 173.299 176.117 0.133 0.000 1.250 202 I CA -3.148 58.253 61.300 0.167 0.000 0.996 202 I CB 2.223 40.397 38.000 0.290 0.000 1.261 202 I HN 0.171 nan 8.210 nan 0.000 0.442 203 P HA 0.177 nan 4.420 nan 0.000 0.271 203 P C 0.172 177.547 177.300 0.125 0.000 1.218 203 P CA -0.358 62.799 63.100 0.095 0.000 0.780 203 P CB 0.750 32.491 31.700 0.068 0.000 0.901 204 R N 3.389 123.954 120.500 0.108 0.000 2.091 204 R HA -0.200 4.140 4.340 0.001 0.000 0.238 204 R C 2.036 178.424 176.300 0.147 0.000 1.136 204 R CA 1.746 57.936 56.100 0.150 0.000 0.959 204 R CB -0.285 30.077 30.300 0.105 0.000 0.856 204 R HN 0.347 nan 8.270 nan 0.000 0.437 205 R N 0.276 120.820 120.500 0.074 0.000 2.127 205 R HA -0.140 4.200 4.340 0.001 0.000 0.238 205 R C 1.582 177.868 176.300 -0.023 0.000 1.134 205 R CA 2.058 58.173 56.100 0.025 0.000 0.975 205 R CB -0.179 30.124 30.300 0.006 0.000 0.865 205 R HN 0.346 nan 8.270 nan 0.000 0.447 206 D N -0.806 119.582 120.400 -0.020 0.000 2.149 206 D HA -0.172 4.469 4.640 0.001 0.000 0.201 206 D C 1.517 177.718 176.300 -0.164 0.000 0.972 206 D CA 0.958 54.853 54.000 -0.175 0.000 0.835 206 D CB -0.101 40.642 40.800 -0.094 0.000 0.966 206 D HN 0.265 nan 8.370 nan 0.000 0.476 207 Y N 1.972 122.290 120.300 0.030 0.000 2.181 207 Y HA -0.142 4.409 4.550 0.001 0.000 0.288 207 Y C 2.197 178.168 175.900 0.118 0.000 1.146 207 Y CA 1.207 59.404 58.100 0.161 0.000 1.164 207 Y CB -0.489 38.049 38.460 0.131 0.000 0.982 207 Y HN -0.118 nan 8.280 nan 0.000 0.515 208 L N 0.027 121.183 121.223 -0.112 0.000 2.093 208 L HA -0.227 4.114 4.340 0.001 0.000 0.208 208 L C 2.325 179.095 176.870 -0.166 0.000 1.085 208 L CA 1.328 56.063 54.840 -0.174 0.000 0.755 208 L CB -0.724 41.322 42.059 -0.023 0.000 0.904 208 L HN 0.243 nan 8.230 nan 0.000 0.435 209 N N -0.005 118.601 118.700 -0.156 0.000 2.069 209 N HA -0.217 4.523 4.740 0.001 0.000 0.191 209 N C 1.876 177.328 175.510 -0.097 0.000 1.031 209 N CA 1.655 54.610 53.050 -0.158 0.000 0.852 209 N CB -0.315 38.016 38.487 -0.260 0.000 1.018 209 N HN 0.356 nan 8.380 nan 0.000 0.423 210 Y N 0.599 120.859 120.300 -0.067 0.000 2.200 210 Y HA -0.118 4.433 4.550 0.001 0.000 0.290 210 Y C 2.421 178.247 175.900 -0.122 0.000 1.137 210 Y CA 0.112 58.184 58.100 -0.046 0.000 1.163 210 Y CB -0.128 38.329 38.460 -0.004 0.000 0.988 210 Y HN 0.102 nan 8.280 nan 0.000 0.518 211 L N 1.757 122.895 121.223 -0.142 0.000 1.971 211 L HA -0.267 4.074 4.340 0.001 0.000 0.215 211 L C 1.743 178.592 176.870 -0.035 0.000 1.072 211 L CA 2.424 57.153 54.840 -0.184 0.000 0.758 211 L CB -1.011 40.807 42.059 -0.402 0.000 0.889 211 L HN 0.470 nan 8.230 nan 0.000 0.433 212 N N -0.437 118.244 118.700 -0.031 0.000 2.515 212 N HA -0.186 4.555 4.740 0.001 0.000 0.191 212 N C 1.498 177.028 175.510 0.034 0.000 1.182 212 N CA 0.340 53.396 53.050 0.010 0.000 0.879 212 N CB 0.043 38.531 38.487 0.003 0.000 0.984 212 N HN 0.466 nan 8.380 nan 0.000 0.453 213 Q N 0.354 120.185 119.800 0.051 0.000 2.324 213 Q HA 0.295 4.635 4.340 0.001 0.000 0.207 213 Q C 1.789 177.839 176.000 0.083 0.000 0.928 213 Q CA 0.854 56.702 55.803 0.076 0.000 0.890 213 Q CB 0.170 28.979 28.738 0.119 0.000 1.001 213 Q HN 0.326 nan 8.270 nan 0.000 0.517 214 M N -0.184 119.471 119.600 0.092 0.000 2.510 214 M HA 0.092 4.573 4.480 0.001 0.000 0.256 214 M C 1.619 177.985 176.300 0.109 0.000 1.132 214 M CA 0.455 55.814 55.300 0.098 0.000 1.105 214 M CB 0.210 32.877 32.600 0.113 0.000 1.375 214 M HN 0.101 nan 8.290 nan 0.000 0.477 215 R N 0.938 121.499 120.500 0.101 0.000 2.148 215 R HA -0.055 4.286 4.340 0.001 0.000 0.227 215 R C 1.359 177.724 176.300 0.108 0.000 1.103 215 R CA 1.131 57.300 56.100 0.116 0.000 0.983 215 R CB -0.722 29.637 30.300 0.098 0.000 0.874 215 R HN 0.362 nan 8.270 nan 0.000 0.451 216 L N 1.202 122.476 121.223 0.086 0.000 2.592 216 L HA 0.231 4.572 4.340 0.001 0.000 0.227 216 L C 1.288 178.203 176.870 0.075 0.000 1.127 216 L CA -0.140 54.747 54.840 0.078 0.000 0.884 216 L CB 0.105 42.200 42.059 0.061 0.000 1.065 216 L HN 0.243 nan 8.230 nan 0.000 0.457 217 G N 0.897 109.744 108.800 0.079 0.000 2.535 217 G HA2 0.546 4.507 3.960 0.001 0.000 0.282 217 G HA3 0.546 4.507 3.960 0.001 0.000 0.282 217 G C -0.244 174.701 174.900 0.075 0.000 1.350 217 G CA -0.410 44.726 45.100 0.061 0.000 1.039 217 G HN 0.325 nan 8.290 nan 0.000 0.509 218 R N -2.127 118.400 120.500 0.045 0.000 2.747 218 R HA 0.690 5.031 4.340 0.001 0.000 0.272 218 R C -1.531 174.755 176.300 -0.023 0.000 1.032 218 R CA -0.971 55.161 56.100 0.054 0.000 0.896 218 R CB 0.916 31.256 30.300 0.067 0.000 1.253 218 R HN 0.405 nan 8.270 nan 0.000 0.461 219 L N -0.494 120.703 121.223 -0.045 0.000 2.257 219 L HA 0.627 4.967 4.340 0.001 0.000 0.257 219 L C -2.309 174.516 176.870 -0.076 0.000 1.033 219 L CA -2.795 51.934 54.840 -0.184 0.000 0.835 219 L CB 2.093 43.849 42.059 -0.505 0.000 1.398 219 L HN 0.468 nan 8.230 nan 0.000 0.429 220 P HA 0.024 nan 4.420 nan 0.000 0.265 220 P C 0.044 177.367 177.300 0.038 0.000 1.187 220 P CA 0.013 63.102 63.100 -0.017 0.000 0.766 220 P CB 0.362 32.020 31.700 -0.071 0.000 0.820 221 N N 2.350 121.081 118.700 0.051 0.000 2.132 221 N HA -0.194 4.547 4.740 0.001 0.000 0.191 221 N C 0.958 176.527 175.510 0.099 0.000 1.015 221 N CA 1.616 54.716 53.050 0.083 0.000 0.864 221 N CB -0.517 38.009 38.487 0.065 0.000 1.006 221 N HN 0.657 nan 8.380 nan 0.000 0.430 222 N N -0.689 118.045 118.700 0.058 0.000 2.322 222 N HA -0.013 4.728 4.740 0.001 0.000 0.194 222 N C 1.278 176.788 175.510 0.000 0.000 1.126 222 N CA -0.292 52.784 53.050 0.045 0.000 0.845 222 N CB -0.261 38.235 38.487 0.014 0.000 0.976 222 N HN 0.062 nan 8.380 nan 0.000 0.475 223 F N 0.950 120.794 119.950 -0.176 0.000 2.161 223 F HA -0.075 4.452 4.527 0.001 0.000 0.300 223 F C 0.860 176.466 175.800 -0.323 0.000 1.089 223 F CA 1.360 59.140 58.000 -0.366 0.000 1.282 223 F CB -0.076 38.580 39.000 -0.573 0.000 1.010 223 F HN 0.060 nan 8.300 nan 0.000 0.485 224 W N -0.229 121.107 121.300 0.060 0.000 3.316 224 W HA 0.307 4.967 4.660 0.001 0.000 0.327 224 W C 0.071 176.632 176.519 0.070 0.000 1.232 224 W CA -0.402 56.944 57.345 0.001 0.000 1.805 224 W CB -0.213 29.274 29.460 0.045 0.000 1.090 224 W HN -0.436 nan 8.180 nan 0.000 0.654 225 V N 3.295 123.335 119.914 0.210 0.000 2.599 225 V HA -0.009 4.111 4.120 0.001 0.000 0.300 225 V C -1.682 174.528 176.094 0.193 0.000 1.034 225 V CA -1.428 60.977 62.300 0.175 0.000 1.115 225 V CB 0.165 32.048 31.823 0.100 0.000 0.934 225 V HN -0.261 nan 8.190 nan 0.000 0.485 226 P HA 0.189 nan 4.420 nan 0.000 0.261 226 P C -0.341 177.189 177.300 0.383 0.000 1.183 226 P CA 0.321 63.625 63.100 0.340 0.000 0.761 226 P CB 0.299 32.135 31.700 0.226 0.000 0.785 227 R N 1.725 122.520 120.500 0.493 0.000 2.764 227 R HA 0.576 4.916 4.340 0.001 0.000 0.276 227 R C -1.616 174.728 176.300 0.073 0.000 1.021 227 R CA -0.942 55.370 56.100 0.354 0.000 0.870 227 R CB 0.058 30.443 30.300 0.143 0.000 1.293 227 R HN 0.342 nan 8.270 nan 0.000 0.469 228 C N 1.635 120.950 119.300 0.026 0.000 2.347 228 C HA 0.469 4.930 4.460 0.001 0.000 0.353 228 C C 1.366 176.362 174.990 0.011 0.000 1.273 228 C CA -0.580 58.404 59.018 -0.058 0.000 1.861 228 C CB -0.590 27.134 27.740 -0.027 0.000 2.420 228 C HN 0.707 nan 8.230 nan 0.000 0.542 229 L N 3.847 125.099 121.223 0.049 0.000 2.470 229 L HA 0.361 4.701 4.340 0.001 0.000 0.219 229 L C 0.030 177.039 176.870 0.233 0.000 1.071 229 L CA 0.430 55.338 54.840 0.112 0.000 0.850 229 L CB -0.033 42.095 42.059 0.114 0.000 1.040 229 L HN 0.643 nan 8.230 nan 0.000 0.475 230 F N 0.205 120.187 119.950 0.055 0.000 2.722 230 F HA 0.468 4.996 4.527 0.001 0.000 0.336 230 F C -0.861 174.979 175.800 0.067 0.000 1.216 230 F CA -0.514 57.533 58.000 0.078 0.000 1.065 230 F CB 1.590 40.675 39.000 0.142 0.000 1.325 230 F HN -0.302 nan 8.300 nan 0.000 0.524 231 S N 7.038 122.388 115.700 -0.582 0.000 2.720 231 S HA 0.682 5.153 4.470 0.001 0.000 0.278 231 S C -2.523 171.736 174.600 -0.567 0.000 1.172 231 S CA -0.856 57.035 58.200 -0.515 0.000 1.019 231 S CB 0.779 63.853 63.200 -0.209 0.000 1.049 231 S HN 0.613 nan 8.310 nan 0.000 0.483 232 P HA 0.000 nan 4.420 nan 0.000 0.216 232 P CA 0.000 62.861 63.100 -0.397 0.000 0.800 232 P CB 0.000 31.517 31.700 -0.306 0.000 0.726