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 1n8f_1_D DATA FIRST_RESID 8 DATA SEQUENCE LRIKEIKELL PPVALLQKFP ATENAANTVA HARKAIHKIL KGNDDRLLVV DATA SEQUENCE IGPCSIHDPV AAKEYATRLL ALREELKDEL EIVMRVYFEK PRTTVGWKGL DATA SEQUENCE INDPHMDNSF QINDGLRIAR KLLLDINDSG LPAAGEFLDM ITPQYLADLM DATA SEQUENCE SWGAIGARTT ESQVHRELAS GLSCPVGFKN GTDGTIKVAI DAINAAGAPH DATA SEQUENCE CFLSVTKWGH SAIVNTSGNG DCHIILRGGK EPNYSAKHVA EVKEGLNKAG DATA SEQUENCE LPAQVMIDFS HANSSKQFKK QMDVCADVCQ QIAGGEKAII GVMVESHLVE DATA SEQUENCE GNQSLESGEP LAYGKSITDA CIGWEDTDAL LRQLANAVKA RRG 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 8 L HA 0.000 nan 4.340 nan 0.000 0.249 8 L C 0.000 176.869 176.870 -0.002 0.000 1.165 8 L CA 0.000 54.840 54.840 -0.000 0.000 0.813 8 L CB 0.000 42.059 42.059 -0.001 0.000 0.961 9 R N 0.866 121.364 120.500 -0.004 0.000 2.466 9 R HA 0.411 4.751 4.340 -0.001 0.000 0.279 9 R C -0.516 175.777 176.300 -0.011 0.000 0.976 9 R CA -0.156 55.941 56.100 -0.006 0.000 1.081 9 R CB 0.305 30.601 30.300 -0.006 0.000 1.215 9 R HN 0.249 nan 8.270 nan 0.000 0.546 10 I N 1.566 122.130 120.570 -0.009 0.000 2.297 10 I HA 0.119 4.288 4.170 -0.001 0.000 0.291 10 I C 1.048 177.159 176.117 -0.010 0.000 1.033 10 I CA -0.062 61.230 61.300 -0.013 0.000 1.253 10 I CB 1.477 39.471 38.000 -0.010 0.000 1.396 10 I HN -0.019 nan 8.210 nan 0.000 0.476 11 K N 3.235 123.627 120.400 -0.014 0.000 2.076 11 K HA -0.019 4.301 4.320 -0.001 0.000 0.204 11 K C 0.339 176.937 176.600 -0.004 0.000 1.051 11 K CA 0.981 57.264 56.287 -0.007 0.000 0.949 11 K CB 0.363 32.858 32.500 -0.008 0.000 0.726 11 K HN 0.459 nan 8.250 nan 0.000 0.443 12 E N -0.492 119.703 120.200 -0.009 0.000 2.388 12 E HA 0.396 4.745 4.350 -0.001 0.000 0.280 12 E C -1.893 174.704 176.600 -0.006 0.000 1.019 12 E CA -0.442 55.957 56.400 -0.002 0.000 0.806 12 E CB 1.459 31.163 29.700 0.005 0.000 1.246 12 E HN -0.004 nan 8.360 nan 0.000 0.443 13 I N 2.741 123.312 120.570 0.002 0.000 2.447 13 I HA 0.446 4.616 4.170 -0.001 0.000 0.287 13 I C -0.394 175.731 176.117 0.013 0.000 1.023 13 I CA -0.757 60.545 61.300 0.004 0.000 1.083 13 I CB 1.786 39.791 38.000 0.007 0.000 1.245 13 I HN 0.225 nan 8.210 nan 0.000 0.434 14 K N 4.766 125.175 120.400 0.015 0.000 2.281 14 K HA 0.449 4.768 4.320 -0.001 0.000 0.242 14 K C -0.726 175.891 176.600 0.028 0.000 0.971 14 K CA -1.023 55.278 56.287 0.023 0.000 0.834 14 K CB 1.638 34.155 32.500 0.028 0.000 1.181 14 K HN 0.359 nan 8.250 nan 0.000 0.435 15 E N 1.671 121.891 120.200 0.033 0.000 2.414 15 E HA -0.000 4.349 4.350 -0.001 0.000 0.263 15 E C -0.691 175.934 176.600 0.042 0.000 1.000 15 E CA -0.057 56.367 56.400 0.041 0.000 0.914 15 E CB 0.442 30.167 29.700 0.041 0.000 0.948 15 E HN 0.240 nan 8.360 nan 0.000 0.444 16 L N 3.631 124.886 121.223 0.054 0.000 2.381 16 L HA 0.299 4.639 4.340 -0.001 0.000 0.274 16 L C -0.837 176.087 176.870 0.090 0.000 0.988 16 L CA -0.509 54.366 54.840 0.059 0.000 0.824 16 L CB 1.222 43.320 42.059 0.065 0.000 1.263 16 L HN 0.461 nan 8.230 nan 0.000 0.410 17 L N 7.382 128.660 121.223 0.091 0.000 2.490 17 L HA 0.272 4.612 4.340 -0.001 0.000 0.274 17 L C -1.761 175.233 176.870 0.207 0.000 1.201 17 L CA -1.335 53.576 54.840 0.119 0.000 0.869 17 L CB 0.309 42.432 42.059 0.107 0.000 1.123 17 L HN 0.538 nan 8.230 nan 0.000 0.484 18 P HA 0.174 nan 4.420 nan 0.000 0.274 18 P C -2.387 174.827 177.300 -0.144 0.000 1.237 18 P CA -1.713 61.387 63.100 0.001 0.000 0.793 18 P CB 0.577 32.242 31.700 -0.059 0.000 0.977 19 P HA -0.182 nan 4.420 nan 0.000 0.216 19 P C 1.634 178.677 177.300 -0.428 0.000 1.153 19 P CA 1.630 64.202 63.100 -0.879 0.000 0.858 19 P CB -0.481 30.636 31.700 -0.972 0.000 0.789 20 V N -2.498 117.143 119.914 -0.456 0.000 2.568 20 V HA -0.254 3.866 4.120 -0.001 0.000 0.253 20 V C 2.185 178.155 176.094 -0.207 0.000 1.072 20 V CA 1.944 63.999 62.300 -0.407 0.000 1.084 20 V CB -2.161 29.298 31.823 -0.606 0.000 0.676 20 V HN 0.052 nan 8.190 nan 0.000 0.469 21 A N 0.559 123.303 122.820 -0.128 0.000 1.898 21 A HA -0.003 4.316 4.320 -0.001 0.000 0.216 21 A C 2.230 179.788 177.584 -0.043 0.000 1.181 21 A CA 1.945 53.948 52.037 -0.056 0.000 0.620 21 A CB -0.516 18.483 19.000 -0.001 0.000 0.819 21 A HN 0.465 nan 8.150 nan 0.000 0.442 22 L N -0.554 120.681 121.223 0.020 0.000 2.179 22 L HA -0.011 4.329 4.340 -0.001 0.000 0.208 22 L C 2.436 179.344 176.870 0.063 0.000 1.096 22 L CA 1.144 56.047 54.840 0.105 0.000 0.779 22 L CB -1.206 41.010 42.059 0.261 0.000 0.922 22 L HN 0.396 nan 8.230 nan 0.000 0.443 23 L N -0.949 120.257 121.223 -0.029 0.000 2.093 23 L HA -0.185 4.154 4.340 -0.001 0.000 0.208 23 L C 2.703 179.540 176.870 -0.054 0.000 1.085 23 L CA 0.853 55.666 54.840 -0.045 0.000 0.755 23 L CB -0.325 41.654 42.059 -0.132 0.000 0.904 23 L HN 0.312 nan 8.230 nan 0.000 0.435 24 Q N -0.082 119.664 119.800 -0.090 0.000 2.137 24 Q HA -0.172 4.168 4.340 -0.001 0.000 0.198 24 Q C 2.120 178.039 176.000 -0.135 0.000 0.960 24 Q CA 1.154 56.901 55.803 -0.092 0.000 0.847 24 Q CB -0.022 28.664 28.738 -0.086 0.000 0.915 24 Q HN 0.429 nan 8.270 nan 0.000 0.448 25 K N -0.356 119.910 120.400 -0.223 0.000 2.062 25 K HA -0.033 4.287 4.320 -0.001 0.000 0.205 25 K C -0.004 176.233 176.600 -0.604 0.000 1.051 25 K CA 0.705 56.706 56.287 -0.478 0.000 0.941 25 K CB 0.245 32.325 32.500 -0.701 0.000 0.719 25 K HN 0.023 nan 8.250 nan 0.000 0.440 26 F N 2.608 122.551 119.950 -0.011 0.000 2.471 26 F HA 0.324 4.851 4.527 -0.001 0.000 0.318 26 F C -2.255 173.538 175.800 -0.011 0.000 1.308 26 F CA -2.458 55.537 58.000 -0.007 0.000 1.162 26 F CB 1.115 40.112 39.000 -0.005 0.000 1.383 26 F HN -0.047 nan 8.300 nan 0.000 0.552 27 P HA 0.106 nan 4.420 nan 0.000 0.271 27 P C -0.237 177.107 177.300 0.073 0.000 1.218 27 P CA -0.106 63.031 63.100 0.061 0.000 0.780 27 P CB 1.180 32.893 31.700 0.022 0.000 0.901 28 A N 2.874 125.723 122.820 0.048 0.000 2.488 28 A HA 0.380 4.700 4.320 -0.001 0.000 0.249 28 A C 1.029 178.633 177.584 0.034 0.000 1.083 28 A CA 0.022 52.084 52.037 0.042 0.000 0.768 28 A CB -0.696 18.319 19.000 0.026 0.000 1.017 28 A HN 0.658 nan 8.150 nan 0.000 0.496 29 T N -0.169 114.407 114.554 0.037 0.000 2.788 29 T HA 0.249 4.598 4.350 -0.001 0.000 0.280 29 T C 0.991 175.704 174.700 0.022 0.000 0.984 29 T CA 0.303 62.422 62.100 0.031 0.000 0.972 29 T CB 0.824 69.713 68.868 0.036 0.000 1.039 29 T HN 0.733 nan 8.240 nan 0.000 0.530 30 E N 0.394 120.606 120.200 0.020 0.000 2.077 30 E HA -0.208 4.141 4.350 -0.001 0.000 0.193 30 E C 1.792 178.402 176.600 0.016 0.000 0.989 30 E CA 1.154 57.563 56.400 0.015 0.000 0.800 30 E CB -0.105 29.606 29.700 0.018 0.000 0.746 30 E HN 0.585 nan 8.360 nan 0.000 0.452 31 N N 0.511 119.227 118.700 0.026 0.000 2.120 31 N HA -0.137 4.603 4.740 -0.001 0.000 0.188 31 N C 1.629 177.158 175.510 0.031 0.000 1.024 31 N CA 1.299 54.370 53.050 0.035 0.000 0.852 31 N CB -0.463 38.047 38.487 0.038 0.000 1.003 31 N HN 0.243 nan 8.380 nan 0.000 0.424 32 A N 1.021 123.857 122.820 0.027 0.000 1.877 32 A HA 0.031 4.351 4.320 -0.001 0.000 0.216 32 A C 2.365 179.956 177.584 0.012 0.000 1.186 32 A CA 1.965 54.019 52.037 0.027 0.000 0.620 32 A CB -0.906 18.113 19.000 0.032 0.000 0.822 32 A HN 0.307 nan 8.150 nan 0.000 0.443 33 A N 0.107 122.926 122.820 -0.001 0.000 1.933 33 A HA -0.222 4.097 4.320 -0.001 0.000 0.218 33 A C 1.914 179.453 177.584 -0.076 0.000 1.175 33 A CA 1.741 53.763 52.037 -0.025 0.000 0.628 33 A CB -0.883 18.103 19.000 -0.024 0.000 0.814 33 A HN 0.732 nan 8.150 nan 0.000 0.444 34 N N -0.863 117.785 118.700 -0.087 0.000 2.120 34 N HA -0.120 4.620 4.740 -0.001 0.000 0.188 34 N C 1.659 177.049 175.510 -0.200 0.000 1.024 34 N CA 1.666 54.586 53.050 -0.217 0.000 0.852 34 N CB -0.237 38.219 38.487 -0.052 0.000 1.003 34 N HN 0.450 nan 8.380 nan 0.000 0.424 35 T N 0.653 115.202 114.554 -0.007 0.000 2.720 35 T HA -0.103 4.247 4.350 -0.001 0.000 0.268 35 T C 2.127 176.853 174.700 0.042 0.000 1.037 35 T CA 0.908 63.046 62.100 0.064 0.000 1.144 35 T CB -0.289 68.619 68.868 0.066 0.000 0.864 35 T HN 0.012 nan 8.240 nan 0.000 0.444 36 V N 1.578 121.498 119.914 0.010 0.000 2.307 36 V HA -0.129 3.991 4.120 -0.001 0.000 0.245 36 V C 2.880 178.974 176.094 -0.001 0.000 1.045 36 V CA 1.578 63.893 62.300 0.026 0.000 1.024 36 V CB -1.264 30.573 31.823 0.024 0.000 0.651 36 V HN 0.525 nan 8.190 nan 0.000 0.449 37 A N -0.476 122.289 122.820 -0.090 0.000 1.865 37 A HA -0.269 4.050 4.320 -0.001 0.000 0.217 37 A C 2.117 179.663 177.584 -0.063 0.000 1.191 37 A CA 2.105 54.065 52.037 -0.129 0.000 0.623 37 A CB -0.862 17.980 19.000 -0.264 0.000 0.826 37 A HN 0.660 nan 8.150 nan 0.000 0.444 38 H N -0.345 118.750 119.070 0.043 0.000 2.387 38 H HA 0.013 4.569 4.556 -0.001 0.000 0.299 38 H C 2.504 177.866 175.328 0.056 0.000 1.090 38 H CA 1.334 57.409 56.048 0.045 0.000 1.332 38 H CB -0.750 29.035 29.762 0.037 0.000 1.386 38 H HN 0.533 nan 8.280 nan 0.000 0.516 39 A N 1.386 124.310 122.820 0.172 0.000 1.873 39 A HA -0.147 4.173 4.320 -0.001 0.000 0.215 39 A C 2.521 180.189 177.584 0.142 0.000 1.186 39 A CA 1.200 53.320 52.037 0.138 0.000 0.616 39 A CB -0.342 18.731 19.000 0.123 0.000 0.823 39 A HN 0.294 nan 8.150 nan 0.000 0.442 40 R N -0.399 120.179 120.500 0.130 0.000 2.096 40 R HA -0.129 4.211 4.340 -0.001 0.000 0.235 40 R C 2.341 178.732 176.300 0.150 0.000 1.127 40 R CA 1.643 57.825 56.100 0.138 0.000 0.968 40 R CB -0.263 30.092 30.300 0.091 0.000 0.861 40 R HN 0.618 nan 8.270 nan 0.000 0.440 41 K N 0.685 121.164 120.400 0.131 0.000 2.057 41 K HA -0.087 4.233 4.320 -0.001 0.000 0.206 41 K C 2.053 178.757 176.600 0.174 0.000 1.050 41 K CA 1.304 57.679 56.287 0.146 0.000 0.935 41 K CB -0.055 32.524 32.500 0.131 0.000 0.715 41 K HN 0.151 nan 8.250 nan 0.000 0.439 42 A N 1.330 124.237 122.820 0.145 0.000 1.898 42 A HA -0.102 4.218 4.320 -0.001 0.000 0.216 42 A C 2.063 179.713 177.584 0.111 0.000 1.181 42 A CA 1.389 53.493 52.037 0.111 0.000 0.620 42 A CB -0.535 18.518 19.000 0.088 0.000 0.819 42 A HN 0.347 nan 8.150 nan 0.000 0.442 43 I N -1.248 119.406 120.570 0.139 0.000 2.394 43 I HA -0.234 3.936 4.170 -0.001 0.000 0.251 43 I C 2.455 178.673 176.117 0.167 0.000 1.136 43 I CA 1.649 63.038 61.300 0.148 0.000 1.425 43 I CB -0.456 37.676 38.000 0.220 0.000 1.079 43 I HN 0.561 nan 8.210 nan 0.000 0.425 44 H N 1.757 120.889 119.070 0.103 0.000 2.321 44 H HA -0.139 4.416 4.556 -0.001 0.000 0.300 44 H C 2.152 177.523 175.328 0.071 0.000 1.087 44 H CA 1.807 57.909 56.048 0.091 0.000 1.319 44 H CB 0.075 29.883 29.762 0.078 0.000 1.379 44 H HN 0.086 nan 8.280 nan 0.000 0.501 45 K N -0.134 120.288 120.400 0.037 0.000 2.103 45 K HA -0.119 4.201 4.320 -0.001 0.000 0.207 45 K C 2.280 178.848 176.600 -0.053 0.000 1.048 45 K CA 1.667 57.937 56.287 -0.029 0.000 0.930 45 K CB -0.060 32.469 32.500 0.048 0.000 0.716 45 K HN 0.375 nan 8.250 nan 0.000 0.444 46 I N 0.959 121.518 120.570 -0.018 0.000 2.252 46 I HA -0.253 3.917 4.170 -0.001 0.000 0.245 46 I C 2.100 178.194 176.117 -0.039 0.000 1.102 46 I CA 1.070 62.356 61.300 -0.023 0.000 1.385 46 I CB -0.162 37.830 38.000 -0.014 0.000 1.064 46 I HN 0.112 nan 8.210 nan 0.000 0.414 47 L N 0.357 121.556 121.223 -0.039 0.000 2.156 47 L HA -0.129 4.211 4.340 -0.001 0.000 0.208 47 L C 2.171 178.998 176.870 -0.072 0.000 1.095 47 L CA 0.881 55.706 54.840 -0.026 0.000 0.770 47 L CB -0.455 41.631 42.059 0.045 0.000 0.914 47 L HN 0.147 nan 8.230 nan 0.000 0.439 48 K N 0.298 120.599 120.400 -0.166 0.000 2.525 48 K HA 0.100 4.419 4.320 -0.001 0.000 0.192 48 K C 1.357 177.912 176.600 -0.076 0.000 1.029 48 K CA 0.824 57.015 56.287 -0.160 0.000 1.029 48 K CB 0.032 32.366 32.500 -0.277 0.000 0.814 48 K HN 0.373 nan 8.250 nan 0.000 0.503 49 G N 1.769 110.535 108.800 -0.056 0.000 2.148 49 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.254 49 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.254 49 G C 0.554 175.440 174.900 -0.023 0.000 0.981 49 G CA 0.600 45.683 45.100 -0.029 0.000 0.670 49 G HN 0.498 nan 8.290 nan 0.000 0.528 50 N N -0.142 118.540 118.700 -0.030 0.000 2.412 50 N HA 0.206 4.945 4.740 -0.001 0.000 0.184 50 N C 0.084 175.590 175.510 -0.006 0.000 1.101 50 N CA 0.402 53.444 53.050 -0.013 0.000 0.881 50 N CB 0.282 38.763 38.487 -0.009 0.000 0.969 50 N HN 0.473 nan 8.380 nan 0.000 0.459 51 D N -0.178 120.216 120.400 -0.010 0.000 2.619 51 D HA 0.057 4.696 4.640 -0.001 0.000 0.241 51 D C -0.607 175.688 176.300 -0.009 0.000 1.087 51 D CA -0.737 53.260 54.000 -0.004 0.000 0.851 51 D CB 1.260 42.061 40.800 0.001 0.000 1.474 51 D HN 0.014 nan 8.370 nan 0.000 0.478 52 D N 2.258 122.654 120.400 -0.007 0.000 2.368 52 D HA 0.052 4.691 4.640 -0.001 0.000 0.218 52 D C 0.134 176.427 176.300 -0.011 0.000 1.112 52 D CA -0.211 53.784 54.000 -0.008 0.000 0.834 52 D CB 0.208 41.006 40.800 -0.005 0.000 0.953 52 D HN 0.193 nan 8.370 nan 0.000 0.505 53 R N -0.173 120.319 120.500 -0.013 0.000 2.583 53 R HA 0.468 4.808 4.340 -0.001 0.000 0.268 53 R C -0.423 175.859 176.300 -0.029 0.000 1.101 53 R CA -0.885 55.204 56.100 -0.019 0.000 1.180 53 R CB 0.944 31.234 30.300 -0.017 0.000 1.128 53 R HN 0.058 nan 8.270 nan 0.000 0.568 54 L N 2.085 123.285 121.223 -0.038 0.000 2.295 54 L HA 0.294 4.634 4.340 -0.001 0.000 0.285 54 L C -1.132 175.687 176.870 -0.084 0.000 1.035 54 L CA -0.692 54.114 54.840 -0.057 0.000 0.806 54 L CB 1.366 43.396 42.059 -0.048 0.000 1.214 54 L HN 0.385 nan 8.230 nan 0.000 0.426 55 L N 6.581 127.734 121.223 -0.116 0.000 2.319 55 L HA 0.478 4.818 4.340 -0.001 0.000 0.280 55 L C -0.937 175.803 176.870 -0.216 0.000 1.099 55 L CA 0.318 55.060 54.840 -0.163 0.000 0.828 55 L CB 0.969 42.907 42.059 -0.202 0.000 1.150 55 L HN 0.403 nan 8.230 nan 0.000 0.442 56 V N 6.470 126.257 119.914 -0.212 0.000 2.349 56 V HA 0.315 4.435 4.120 -0.001 0.000 0.284 56 V C -0.320 175.622 176.094 -0.254 0.000 1.014 56 V CA -0.682 61.475 62.300 -0.237 0.000 0.826 56 V CB 1.550 33.268 31.823 -0.175 0.000 1.009 56 V HN 0.522 nan 8.190 nan 0.000 0.431 57 V N 7.038 126.746 119.914 -0.343 0.000 2.334 57 V HA 0.491 4.611 4.120 -0.001 0.000 0.267 57 V C -0.117 175.848 176.094 -0.214 0.000 1.040 57 V CA -0.120 61.990 62.300 -0.317 0.000 0.866 57 V CB 1.122 32.624 31.823 -0.536 0.000 1.019 57 V HN 0.745 nan 8.190 nan 0.000 0.468 58 I N 3.889 124.386 120.570 -0.121 0.000 2.647 58 I HA 0.939 5.109 4.170 -0.001 0.000 0.295 58 I C 0.139 176.255 176.117 -0.002 0.000 1.078 58 I CA 0.121 61.373 61.300 -0.080 0.000 1.048 58 I CB 2.096 40.062 38.000 -0.056 0.000 1.239 58 I HN 0.743 nan 8.210 nan 0.000 0.421 59 G N 5.383 114.122 108.800 -0.103 0.000 2.343 59 G HA2 0.177 4.137 3.960 -0.001 0.000 0.289 59 G HA3 0.177 4.137 3.960 -0.001 0.000 0.289 59 G C -3.362 171.247 174.900 -0.485 0.000 1.295 59 G CA -0.874 44.028 45.100 -0.332 0.000 0.869 59 G HN 0.365 nan 8.290 nan 0.000 0.522 60 P HA 0.190 nan 4.420 nan 0.000 0.267 60 P C 1.238 178.322 177.300 -0.360 0.000 1.200 60 P CA 0.041 62.797 63.100 -0.573 0.000 0.772 60 P CB 0.969 32.218 31.700 -0.753 0.000 0.855 61 C N 2.074 121.246 119.300 -0.213 0.000 2.429 61 C HA -0.030 4.429 4.460 -0.001 0.000 0.277 61 C C 0.932 175.846 174.990 -0.126 0.000 1.262 61 C CA 1.705 60.618 59.018 -0.175 0.000 1.733 61 C CB -1.375 26.338 27.740 -0.046 0.000 2.010 61 C HN 0.732 nan 8.230 nan 0.000 0.483 62 S N -0.005 115.699 115.700 0.006 0.000 2.546 62 S HA 0.677 5.146 4.470 -0.001 0.000 0.274 62 S C -1.141 173.561 174.600 0.171 0.000 1.121 62 S CA -0.773 57.506 58.200 0.133 0.000 0.887 62 S CB 1.094 64.488 63.200 0.323 0.000 1.094 62 S HN 0.202 nan 8.310 nan 0.000 0.474 63 I N 4.206 124.867 120.570 0.153 0.000 2.342 63 I HA 0.333 4.503 4.170 -0.001 0.000 0.291 63 I C 1.161 177.520 176.117 0.404 0.000 1.010 63 I CA -0.190 61.202 61.300 0.152 0.000 1.308 63 I CB 0.676 38.684 38.000 0.014 0.000 1.400 63 I HN 1.095 nan 8.210 nan 0.000 0.488 64 H N 2.957 122.167 119.070 0.234 0.000 3.535 64 H HA 0.275 4.830 4.556 -0.001 0.000 0.260 64 H C -0.857 174.540 175.328 0.115 0.000 1.173 64 H CA -0.230 55.952 56.048 0.223 0.000 1.168 64 H CB 1.171 30.941 29.762 0.012 0.000 1.568 64 H HN 0.498 nan 8.280 nan 0.000 0.602 65 D N 1.457 121.652 120.400 -0.342 0.000 2.479 65 D HA 0.274 4.913 4.640 -0.001 0.000 0.246 65 D C -2.152 174.090 176.300 -0.096 0.000 1.336 65 D CA -1.910 51.943 54.000 -0.246 0.000 0.967 65 D CB 2.331 42.872 40.800 -0.432 0.000 1.275 65 D HN -0.140 nan 8.370 nan 0.000 0.577 66 P HA -0.169 nan 4.420 nan 0.000 0.216 66 P C 1.478 178.797 177.300 0.031 0.000 1.150 66 P CA 0.639 63.756 63.100 0.029 0.000 0.843 66 P CB 0.410 32.129 31.700 0.032 0.000 0.787 67 V N 0.194 120.136 119.914 0.047 0.000 2.261 67 V HA -0.260 3.859 4.120 -0.001 0.000 0.246 67 V C 2.476 178.649 176.094 0.131 0.000 1.047 67 V CA 2.351 64.713 62.300 0.103 0.000 1.015 67 V CB -1.760 30.159 31.823 0.160 0.000 0.642 67 V HN 0.111 nan 8.190 nan 0.000 0.446 68 A N -0.128 122.721 122.820 0.048 0.000 1.933 68 A HA -0.081 4.239 4.320 -0.001 0.000 0.218 68 A C 2.405 179.987 177.584 -0.003 0.000 1.175 68 A CA 2.008 53.961 52.037 -0.140 0.000 0.628 68 A CB -0.748 17.915 19.000 -0.562 0.000 0.814 68 A HN 0.578 nan 8.150 nan 0.000 0.444 69 A N -0.097 122.719 122.820 -0.008 0.000 1.902 69 A HA -0.173 4.147 4.320 -0.001 0.000 0.217 69 A C 2.124 179.748 177.584 0.066 0.000 1.181 69 A CA 1.812 53.856 52.037 0.011 0.000 0.623 69 A CB -0.416 18.581 19.000 -0.004 0.000 0.818 69 A HN 0.527 nan 8.150 nan 0.000 0.443 70 K N -0.713 119.720 120.400 0.054 0.000 2.097 70 K HA -0.155 4.165 4.320 -0.001 0.000 0.205 70 K C 2.115 178.734 176.600 0.032 0.000 1.050 70 K CA 1.407 57.721 56.287 0.045 0.000 0.938 70 K CB -0.089 32.432 32.500 0.036 0.000 0.718 70 K HN 0.743 nan 8.250 nan 0.000 0.442 71 E N 0.276 120.506 120.200 0.049 0.000 2.072 71 E HA -0.229 4.120 4.350 -0.001 0.000 0.191 71 E C 1.897 178.451 176.600 -0.075 0.000 0.985 71 E CA 0.948 57.350 56.400 0.004 0.000 0.801 71 E CB -0.162 29.587 29.700 0.081 0.000 0.750 71 E HN 0.315 nan 8.360 nan 0.000 0.452 72 Y N 0.676 120.902 120.300 -0.123 0.000 2.181 72 Y HA -0.183 4.366 4.550 -0.001 0.000 0.288 72 Y C 2.134 177.954 175.900 -0.133 0.000 1.146 72 Y CA 1.853 59.856 58.100 -0.162 0.000 1.164 72 Y CB -0.456 37.951 38.460 -0.089 0.000 0.982 72 Y HN 0.176 nan 8.280 nan 0.000 0.515 73 A N -0.884 121.974 122.820 0.062 0.000 1.933 73 A HA -0.185 4.135 4.320 -0.001 0.000 0.218 73 A C 2.206 179.744 177.584 -0.076 0.000 1.175 73 A CA 2.224 54.276 52.037 0.024 0.000 0.628 73 A CB -1.263 17.773 19.000 0.060 0.000 0.814 73 A HN 0.505 nan 8.150 nan 0.000 0.444 74 T N -0.394 114.096 114.554 -0.106 0.000 2.777 74 T HA -0.110 4.240 4.350 -0.001 0.000 0.266 74 T C 2.065 176.654 174.700 -0.186 0.000 1.040 74 T CA 1.466 63.496 62.100 -0.115 0.000 1.141 74 T CB -0.204 68.603 68.868 -0.102 0.000 0.868 74 T HN 0.520 nan 8.240 nan 0.000 0.444 75 R N 0.235 120.514 120.500 -0.368 0.000 2.075 75 R HA 0.060 4.400 4.340 -0.001 0.000 0.232 75 R C 2.364 178.536 176.300 -0.213 0.000 1.126 75 R CA 0.845 56.632 56.100 -0.522 0.000 0.963 75 R CB -0.525 28.939 30.300 -1.394 0.000 0.858 75 R HN 0.222 nan 8.270 nan 0.000 0.435 76 L N 1.021 122.115 121.223 -0.214 0.000 2.093 76 L HA -0.098 4.241 4.340 -0.001 0.000 0.208 76 L C 2.057 178.942 176.870 0.026 0.000 1.085 76 L CA 1.274 56.133 54.840 0.032 0.000 0.755 76 L CB -0.448 41.563 42.059 -0.081 0.000 0.904 76 L HN 0.094 nan 8.230 nan 0.000 0.435 77 L N -0.064 121.149 121.223 -0.017 0.000 2.079 77 L HA -0.138 4.202 4.340 -0.001 0.000 0.210 77 L C 2.491 179.367 176.870 0.010 0.000 1.081 77 L CA 2.081 56.921 54.840 0.001 0.000 0.752 77 L CB -1.098 40.956 42.059 -0.007 0.000 0.896 77 L HN 0.282 nan 8.230 nan 0.000 0.433 78 A N -0.575 122.249 122.820 0.008 0.000 1.908 78 A HA -0.174 4.146 4.320 -0.001 0.000 0.218 78 A C 2.252 179.860 177.584 0.040 0.000 1.181 78 A CA 2.075 54.125 52.037 0.022 0.000 0.627 78 A CB -0.856 18.158 19.000 0.022 0.000 0.818 78 A HN 0.512 nan 8.150 nan 0.000 0.445 79 L N -1.244 120.020 121.223 0.068 0.000 2.156 79 L HA -0.091 4.249 4.340 -0.001 0.000 0.208 79 L C 2.725 179.607 176.870 0.020 0.000 1.095 79 L CA 1.266 56.136 54.840 0.050 0.000 0.770 79 L CB -0.483 41.612 42.059 0.060 0.000 0.914 79 L HN 0.497 nan 8.230 nan 0.000 0.439 80 R N 0.442 120.954 120.500 0.021 0.000 2.091 80 R HA -0.184 4.155 4.340 -0.001 0.000 0.238 80 R C 2.058 178.362 176.300 0.006 0.000 1.136 80 R CA 1.492 57.598 56.100 0.009 0.000 0.959 80 R CB 0.033 30.341 30.300 0.015 0.000 0.856 80 R HN 0.287 nan 8.270 nan 0.000 0.437 81 E N 0.434 120.639 120.200 0.010 0.000 2.072 81 E HA -0.180 4.170 4.350 -0.001 0.000 0.190 81 E C 1.731 178.333 176.600 0.004 0.000 0.982 81 E CA 0.972 57.376 56.400 0.006 0.000 0.803 81 E CB -0.134 29.570 29.700 0.007 0.000 0.755 81 E HN 0.523 nan 8.360 nan 0.000 0.453 82 E N 0.381 120.585 120.200 0.007 0.000 2.150 82 E HA -0.089 4.261 4.350 -0.001 0.000 0.193 82 E C 1.349 177.948 176.600 -0.001 0.000 0.985 82 E CA 0.532 56.935 56.400 0.005 0.000 0.814 82 E CB 0.187 29.894 29.700 0.010 0.000 0.752 82 E HN 0.158 nan 8.360 nan 0.000 0.466 83 L N 0.691 121.911 121.223 -0.004 0.000 2.857 83 L HA 0.174 4.513 4.340 -0.001 0.000 0.249 83 L C 1.850 178.713 176.870 -0.012 0.000 1.172 83 L CA -0.212 54.622 54.840 -0.011 0.000 0.980 83 L CB 0.163 42.211 42.059 -0.018 0.000 1.299 83 L HN 0.004 nan 8.230 nan 0.000 0.535 84 K N 0.395 120.790 120.400 -0.008 0.000 2.127 84 K HA -0.239 4.080 4.320 -0.001 0.000 0.208 84 K C 1.098 177.692 176.600 -0.010 0.000 1.047 84 K CA 2.024 58.306 56.287 -0.008 0.000 0.927 84 K CB -0.452 32.044 32.500 -0.007 0.000 0.716 84 K HN 0.398 nan 8.250 nan 0.000 0.450 85 D N 0.740 121.134 120.400 -0.009 0.000 2.263 85 D HA -0.170 4.469 4.640 -0.001 0.000 0.208 85 D C 1.004 177.298 176.300 -0.010 0.000 0.971 85 D CA 1.191 55.185 54.000 -0.009 0.000 0.867 85 D CB 0.015 40.810 40.800 -0.008 0.000 0.929 85 D HN 0.450 nan 8.370 nan 0.000 0.492 86 E N -0.606 119.586 120.200 -0.013 0.000 2.391 86 E HA 0.330 4.680 4.350 -0.001 0.000 0.206 86 E C 0.188 176.775 176.600 -0.021 0.000 0.851 86 E CA 0.101 56.492 56.400 -0.015 0.000 1.059 86 E CB 0.846 30.537 29.700 -0.015 0.000 1.065 86 E HN 0.200 nan 8.360 nan 0.000 0.512 87 L N 0.507 121.715 121.223 -0.024 0.000 2.354 87 L HA 0.563 4.903 4.340 -0.001 0.000 0.269 87 L C -0.508 176.343 176.870 -0.032 0.000 1.005 87 L CA -1.105 53.714 54.840 -0.035 0.000 0.819 87 L CB 1.938 43.970 42.059 -0.044 0.000 1.311 87 L HN -0.197 nan 8.230 nan 0.000 0.423 88 E N 2.756 122.931 120.200 -0.042 0.000 2.173 88 E HA 0.407 4.756 4.350 -0.001 0.000 0.249 88 E C -1.008 175.560 176.600 -0.053 0.000 0.923 88 E CA -0.182 56.198 56.400 -0.033 0.000 0.754 88 E CB 0.360 30.044 29.700 -0.027 0.000 1.177 88 E HN 0.401 nan 8.360 nan 0.000 0.430 89 I N 4.050 124.597 120.570 -0.038 0.000 2.416 89 I HA 0.232 4.402 4.170 -0.001 0.000 0.288 89 I C -0.478 175.625 176.117 -0.025 0.000 1.051 89 I CA -0.759 60.515 61.300 -0.044 0.000 1.375 89 I CB 1.088 39.073 38.000 -0.025 0.000 1.407 89 I HN 0.201 nan 8.210 nan 0.000 0.516 90 V N 7.369 127.254 119.914 -0.048 0.000 2.531 90 V HA 0.323 4.443 4.120 -0.001 0.000 0.301 90 V C 0.023 176.118 176.094 0.002 0.000 1.034 90 V CA -0.691 61.600 62.300 -0.015 0.000 0.865 90 V CB 1.852 33.649 31.823 -0.044 0.000 0.995 90 V HN 0.722 nan 8.190 nan 0.000 0.424 91 M N 4.589 124.220 119.600 0.053 0.000 2.217 91 M HA 0.424 4.903 4.480 -0.001 0.000 0.354 91 M C 0.233 176.569 176.300 0.061 0.000 1.225 91 M CA -0.219 55.131 55.300 0.083 0.000 1.137 91 M CB 0.468 33.143 32.600 0.125 0.000 1.576 91 M HN 0.581 nan 8.290 nan 0.000 0.461 92 R N 3.466 123.978 120.500 0.020 0.000 2.296 92 R HA 0.294 4.633 4.340 -0.001 0.000 0.323 92 R C -1.071 175.227 176.300 -0.004 0.000 1.067 92 R CA -0.169 55.965 56.100 0.056 0.000 0.946 92 R CB 0.367 30.557 30.300 -0.184 0.000 0.991 92 R HN 0.559 nan 8.270 nan 0.000 0.448 93 V N 5.621 125.562 119.914 0.044 0.000 2.320 93 V HA 0.138 4.257 4.120 -0.001 0.000 0.257 93 V C -1.047 174.779 176.094 -0.448 0.000 0.996 93 V CA -0.772 61.364 62.300 -0.272 0.000 0.928 93 V CB -0.056 31.587 31.823 -0.301 0.000 1.169 93 V HN 0.603 nan 8.190 nan 0.000 0.475 94 Y N 2.009 122.003 120.300 -0.509 0.000 2.452 94 Y HA 0.407 4.957 4.550 -0.001 0.000 0.348 94 Y C 0.840 176.492 175.900 -0.413 0.000 0.985 94 Y CA -0.954 56.906 58.100 -0.399 0.000 1.214 94 Y CB 0.539 38.886 38.460 -0.189 0.000 1.136 94 Y HN 0.483 nan 8.280 nan 0.000 0.523 95 F N 0.309 120.218 119.950 -0.069 0.000 2.721 95 F HA 0.197 4.724 4.527 -0.001 0.000 0.301 95 F C 0.395 176.076 175.800 -0.199 0.000 1.096 95 F CA 0.014 57.941 58.000 -0.120 0.000 1.308 95 F CB 0.605 39.517 39.000 -0.146 0.000 1.086 95 F HN 0.281 nan 8.300 nan 0.000 0.587 96 E N 1.142 121.314 120.200 -0.047 0.000 2.256 96 E HA 0.378 4.727 4.350 -0.001 0.000 0.268 96 E C -0.831 175.718 176.600 -0.085 0.000 0.877 96 E CA -1.020 55.311 56.400 -0.115 0.000 0.757 96 E CB 2.160 31.789 29.700 -0.118 0.000 1.183 96 E HN -0.180 nan 8.360 nan 0.000 0.418 97 K N 2.767 123.094 120.400 -0.122 0.000 2.426 97 K HA 0.416 4.736 4.320 -0.001 0.000 0.254 97 K C -2.640 173.936 176.600 -0.040 0.000 0.936 97 K CA -2.287 53.969 56.287 -0.051 0.000 0.801 97 K CB 2.084 34.550 32.500 -0.056 0.000 1.139 97 K HN 0.368 nan 8.250 nan 0.000 0.424 98 P HA 0.327 nan 4.420 nan 0.000 0.293 98 P C -0.587 176.718 177.300 0.008 0.000 1.300 98 P CA -0.648 62.445 63.100 -0.013 0.000 0.792 98 P CB 1.001 32.684 31.700 -0.028 0.000 0.925 99 R N 2.007 122.515 120.500 0.014 0.000 2.598 99 R HA 0.351 4.690 4.340 -0.001 0.000 0.279 99 R C 1.429 177.745 176.300 0.027 0.000 0.984 99 R CA -0.647 55.473 56.100 0.033 0.000 0.999 99 R CB -0.280 30.047 30.300 0.047 0.000 1.114 99 R HN 0.385 nan 8.270 nan 0.000 0.493 100 T N 0.409 114.984 114.554 0.034 0.000 2.788 100 T HA -0.142 4.208 4.350 -0.001 0.000 0.268 100 T C 1.278 175.994 174.700 0.026 0.000 1.044 100 T CA 2.343 64.460 62.100 0.029 0.000 1.139 100 T CB 0.151 69.040 68.868 0.035 0.000 0.867 100 T HN 0.816 nan 8.240 nan 0.000 0.454 101 T N -1.130 113.444 114.554 0.032 0.000 3.422 101 T HA 0.463 4.812 4.350 -0.001 0.000 0.179 101 T C 0.347 175.069 174.700 0.037 0.000 0.946 101 T CA 0.199 62.317 62.100 0.031 0.000 1.025 101 T CB -0.049 68.838 68.868 0.031 0.000 1.298 101 T HN 0.234 nan 8.240 nan 0.000 0.312 102 V N -1.054 118.889 119.914 0.048 0.000 3.141 102 V HA 0.980 5.100 4.120 -0.001 0.000 0.312 102 V C 0.066 176.210 176.094 0.083 0.000 1.157 102 V CA -0.194 62.143 62.300 0.062 0.000 1.041 102 V CB 0.939 32.800 31.823 0.064 0.000 1.071 102 V HN 1.618 nan 8.190 nan 0.000 0.441 103 G N -0.738 108.129 108.800 0.112 0.000 2.368 103 G HA2 0.237 4.196 3.960 -0.001 0.000 0.302 103 G HA3 0.237 4.196 3.960 -0.001 0.000 0.302 103 G C -1.842 173.186 174.900 0.213 0.000 1.329 103 G CA -0.381 44.810 45.100 0.152 0.000 0.935 103 G HN 1.798 nan 8.290 nan 0.000 0.590 104 W N 1.709 123.034 121.300 0.042 0.000 2.417 104 W HA 0.484 5.143 4.660 -0.001 0.000 0.332 104 W C 1.207 177.761 176.519 0.059 0.000 1.413 104 W CA 0.201 57.571 57.345 0.041 0.000 1.299 104 W CB 0.596 30.059 29.460 0.004 0.000 1.304 104 W HN 0.486 nan 8.180 nan 0.000 0.565 105 K N 4.965 125.163 120.400 -0.337 0.000 2.444 105 K HA 0.339 4.659 4.320 -0.001 0.000 0.193 105 K C 0.723 176.901 176.600 -0.703 0.000 1.024 105 K CA 0.594 56.660 56.287 -0.369 0.000 1.077 105 K CB -0.054 32.346 32.500 -0.166 0.000 0.833 105 K HN 0.722 nan 8.250 nan 0.000 0.517 106 G N 0.535 108.334 108.800 -1.668 0.000 2.423 106 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.684 106 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.684 106 G C -0.021 174.259 174.900 -1.032 0.000 1.309 106 G CA -0.609 43.531 45.100 -1.600 0.000 0.950 106 G HN 0.085 nan 8.290 nan 0.000 0.587 107 L N 0.193 121.245 121.223 -0.284 0.000 2.083 107 L HA 0.072 4.411 4.340 -0.001 0.000 0.209 107 L C 2.817 179.654 176.870 -0.055 0.000 1.083 107 L CA 2.002 56.917 54.840 0.126 0.000 0.752 107 L CB -0.388 41.855 42.059 0.307 0.000 0.899 107 L HN 0.651 nan 8.230 nan 0.000 0.433 108 I N -0.189 120.299 120.570 -0.135 0.000 2.202 108 I HA -0.324 3.846 4.170 -0.001 0.000 0.242 108 I C 2.386 178.420 176.117 -0.139 0.000 1.091 108 I CA 1.689 62.876 61.300 -0.189 0.000 1.368 108 I CB -0.581 37.294 38.000 -0.209 0.000 1.058 108 I HN 0.445 nan 8.210 nan 0.000 0.410 109 N N 0.213 118.834 118.700 -0.131 0.000 2.188 109 N HA -0.180 4.560 4.740 -0.001 0.000 0.184 109 N C 0.158 175.723 175.510 0.090 0.000 1.018 109 N CA 1.379 54.414 53.050 -0.025 0.000 0.858 109 N CB 0.270 38.728 38.487 -0.047 0.000 0.989 109 N HN 0.223 nan 8.380 nan 0.000 0.426 110 D N -0.856 119.549 120.400 0.007 0.000 2.823 110 D HA 0.197 4.837 4.640 -0.001 0.000 0.255 110 D C -1.947 174.451 176.300 0.163 0.000 1.257 110 D CA -1.326 52.698 54.000 0.040 0.000 0.803 110 D CB 1.063 41.866 40.800 0.005 0.000 1.384 110 D HN 0.055 nan 8.370 nan 0.000 0.541 111 P HA -0.184 nan 4.420 nan 0.000 0.216 111 P C 0.787 178.049 177.300 -0.064 0.000 1.150 111 P CA 1.145 64.201 63.100 -0.075 0.000 0.843 111 P CB 0.134 31.646 31.700 -0.314 0.000 0.787 112 H N -0.909 118.211 119.070 0.084 0.000 2.547 112 H HA 0.256 4.811 4.556 -0.001 0.000 0.266 112 H C 1.182 176.499 175.328 -0.019 0.000 0.988 112 H CA 0.196 56.258 56.048 0.024 0.000 1.147 112 H CB -0.793 28.965 29.762 -0.005 0.000 1.365 112 H HN 0.156 nan 8.280 nan 0.000 0.589 113 M N 1.314 120.959 119.600 0.075 0.000 2.333 113 M HA -0.221 4.259 4.480 -0.001 0.000 0.199 113 M C -0.601 175.634 176.300 -0.109 0.000 0.376 113 M CA 1.176 56.412 55.300 -0.107 0.000 0.440 113 M CB -1.061 31.320 32.600 -0.364 0.000 1.506 113 M HN 0.345 nan 8.290 nan 0.000 0.889 114 D N -2.019 118.339 120.400 -0.070 0.000 2.636 114 D HA 0.171 4.811 4.640 -0.001 0.000 0.270 114 D C 0.018 176.225 176.300 -0.155 0.000 1.430 114 D CA -0.282 53.667 54.000 -0.086 0.000 0.796 114 D CB -0.022 40.755 40.800 -0.039 0.000 1.117 114 D HN 0.383 nan 8.370 nan 0.000 0.480 115 N N 0.447 118.944 118.700 -0.338 0.000 2.747 115 N HA -0.182 4.558 4.740 -0.001 0.000 0.249 115 N C 0.711 175.872 175.510 -0.582 0.000 1.107 115 N CA 1.138 53.754 53.050 -0.723 0.000 0.707 115 N CB -1.765 36.580 38.487 -0.236 0.000 1.054 115 N HN 0.524 nan 8.380 nan 0.000 0.555 116 S N -1.290 114.184 115.700 -0.376 0.000 2.517 116 S HA 0.157 4.626 4.470 -0.001 0.000 0.214 116 S C 0.656 175.293 174.600 0.063 0.000 0.991 116 S CA -0.147 58.021 58.200 -0.052 0.000 0.906 116 S CB -0.323 62.916 63.200 0.064 0.000 0.789 116 S HN 0.316 nan 8.310 nan 0.000 0.513 117 F N 1.955 121.953 119.950 0.079 0.000 2.907 117 F HA -0.154 4.373 4.527 -0.001 0.000 0.244 117 F C 0.254 176.063 175.800 0.015 0.000 1.007 117 F CA 0.160 58.180 58.000 0.034 0.000 0.872 117 F CB -1.897 37.117 39.000 0.022 0.000 0.767 117 F HN 0.269 nan 8.300 nan 0.000 0.837 118 Q N 1.175 121.037 119.800 0.104 0.000 3.027 118 Q HA 0.258 4.598 4.340 -0.001 0.000 0.260 118 Q C 1.584 177.580 176.000 -0.007 0.000 1.379 118 Q CA 0.059 55.906 55.803 0.073 0.000 1.038 118 Q CB -0.040 28.774 28.738 0.126 0.000 1.578 118 Q HN 0.695 nan 8.270 nan 0.000 0.571 119 I N -0.105 120.472 120.570 0.012 0.000 2.335 119 I HA -0.324 3.846 4.170 -0.001 0.000 0.251 119 I C 1.684 177.741 176.117 -0.101 0.000 1.129 119 I CA 0.742 62.007 61.300 -0.058 0.000 1.402 119 I CB -0.098 37.870 38.000 -0.055 0.000 1.069 119 I HN 0.379 nan 8.210 nan 0.000 0.424 120 N N 0.904 119.572 118.700 -0.052 0.000 2.166 120 N HA -0.170 4.569 4.740 -0.001 0.000 0.186 120 N C 1.395 176.882 175.510 -0.037 0.000 1.019 120 N CA 1.411 54.434 53.050 -0.046 0.000 0.856 120 N CB -0.304 38.185 38.487 0.003 0.000 0.993 120 N HN 0.374 nan 8.380 nan 0.000 0.426 121 D N 0.352 120.739 120.400 -0.021 0.000 2.117 121 D HA -0.058 4.582 4.640 -0.001 0.000 0.198 121 D C 1.990 178.235 176.300 -0.092 0.000 0.982 121 D CA 0.990 54.982 54.000 -0.014 0.000 0.828 121 D CB -0.658 40.157 40.800 0.026 0.000 0.967 121 D HN 0.278 nan 8.370 nan 0.000 0.464 122 G N 0.989 109.699 108.800 -0.150 0.000 2.446 122 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.217 122 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.217 122 G C 1.799 176.542 174.900 -0.261 0.000 1.168 122 G CA 0.458 45.437 45.100 -0.202 0.000 0.771 122 G HN 0.253 nan 8.290 nan 0.000 0.551 123 L N -0.450 120.623 121.223 -0.249 0.000 2.083 123 L HA -0.027 4.312 4.340 -0.001 0.000 0.209 123 L C 3.174 179.936 176.870 -0.181 0.000 1.083 123 L CA 0.994 55.662 54.840 -0.287 0.000 0.752 123 L CB -0.305 41.536 42.059 -0.364 0.000 0.899 123 L HN 0.142 nan 8.230 nan 0.000 0.433 124 R N -0.041 120.417 120.500 -0.070 0.000 2.075 124 R HA -0.100 4.239 4.340 -0.001 0.000 0.232 124 R C 2.300 178.512 176.300 -0.147 0.000 1.126 124 R CA 1.317 57.454 56.100 0.061 0.000 0.963 124 R CB -0.310 30.103 30.300 0.189 0.000 0.858 124 R HN 0.307 nan 8.270 nan 0.000 0.435 125 I N 0.426 120.897 120.570 -0.165 0.000 2.179 125 I HA -0.260 3.910 4.170 -0.001 0.000 0.242 125 I C 2.613 178.532 176.117 -0.329 0.000 1.088 125 I CA 1.246 62.426 61.300 -0.200 0.000 1.357 125 I CB -0.420 37.503 38.000 -0.129 0.000 1.051 125 I HN 0.194 nan 8.210 nan 0.000 0.409 126 A N 0.791 123.301 122.820 -0.517 0.000 1.883 126 A HA -0.270 4.050 4.320 -0.001 0.000 0.217 126 A C 2.447 179.687 177.584 -0.574 0.000 1.186 126 A CA 2.039 53.472 52.037 -1.006 0.000 0.624 126 A CB -0.699 17.413 19.000 -1.480 0.000 0.822 126 A HN 0.359 nan 8.150 nan 0.000 0.444 127 R N -0.305 119.955 120.500 -0.400 0.000 2.075 127 R HA -0.121 4.218 4.340 -0.001 0.000 0.232 127 R C 2.293 178.366 176.300 -0.378 0.000 1.126 127 R CA 1.775 57.721 56.100 -0.257 0.000 0.963 127 R CB -0.251 29.985 30.300 -0.107 0.000 0.858 127 R HN 0.545 nan 8.270 nan 0.000 0.435 128 K N 0.295 120.279 120.400 -0.694 0.000 2.057 128 K HA -0.172 4.148 4.320 -0.001 0.000 0.207 128 K C 2.054 178.472 176.600 -0.302 0.000 1.049 128 K CA 1.337 57.163 56.287 -0.767 0.000 0.931 128 K CB -0.128 31.831 32.500 -0.902 0.000 0.714 128 K HN 0.155 nan 8.250 nan 0.000 0.440 129 L N 1.152 122.267 121.223 -0.180 0.000 2.027 129 L HA -0.121 4.218 4.340 -0.001 0.000 0.206 129 L C 2.070 178.967 176.870 0.046 0.000 1.074 129 L CA 1.337 56.169 54.840 -0.015 0.000 0.745 129 L CB -0.649 41.472 42.059 0.105 0.000 0.898 129 L HN 0.200 nan 8.230 nan 0.000 0.433 130 L N -0.850 120.428 121.223 0.091 0.000 2.042 130 L HA -0.179 4.160 4.340 -0.001 0.000 0.210 130 L C 2.330 179.228 176.870 0.046 0.000 1.076 130 L CA 1.810 56.722 54.840 0.119 0.000 0.749 130 L CB -0.911 41.251 42.059 0.173 0.000 0.893 130 L HN 0.427 nan 8.230 nan 0.000 0.432 131 L N -0.627 120.591 121.223 -0.009 0.000 2.017 131 L HA -0.198 4.142 4.340 -0.001 0.000 0.208 131 L C 2.089 178.963 176.870 0.008 0.000 1.073 131 L CA 1.894 56.733 54.840 -0.002 0.000 0.745 131 L CB -1.043 41.001 42.059 -0.026 0.000 0.894 131 L HN 0.307 nan 8.230 nan 0.000 0.432 132 D N -0.285 120.110 120.400 -0.009 0.000 2.117 132 D HA -0.189 4.451 4.640 -0.001 0.000 0.197 132 D C 2.352 178.665 176.300 0.022 0.000 0.987 132 D CA 1.874 55.878 54.000 0.007 0.000 0.829 132 D CB -0.115 40.684 40.800 -0.003 0.000 0.961 132 D HN 0.448 nan 8.370 nan 0.000 0.460 133 I N 1.089 121.678 120.570 0.031 0.000 2.202 133 I HA -0.224 3.945 4.170 -0.001 0.000 0.242 133 I C 2.188 178.330 176.117 0.042 0.000 1.091 133 I CA 0.760 62.084 61.300 0.040 0.000 1.368 133 I CB -0.228 37.802 38.000 0.051 0.000 1.058 133 I HN -0.024 nan 8.210 nan 0.000 0.410 134 N N 0.691 119.418 118.700 0.045 0.000 2.188 134 N HA -0.226 4.513 4.740 -0.001 0.000 0.184 134 N C 1.498 177.033 175.510 0.043 0.000 1.018 134 N CA 1.727 54.805 53.050 0.048 0.000 0.858 134 N CB -0.313 38.203 38.487 0.049 0.000 0.989 134 N HN 0.377 nan 8.380 nan 0.000 0.426 135 D N 0.482 120.904 120.400 0.037 0.000 2.178 135 D HA -0.101 4.538 4.640 -0.001 0.000 0.201 135 D C 1.890 178.211 176.300 0.034 0.000 0.980 135 D CA 1.310 55.331 54.000 0.035 0.000 0.842 135 D CB -0.005 40.815 40.800 0.032 0.000 0.948 135 D HN 0.212 nan 8.370 nan 0.000 0.472 136 S N -1.697 114.022 115.700 0.031 0.000 2.522 136 S HA 0.178 4.647 4.470 -0.001 0.000 0.227 136 S C 1.781 176.400 174.600 0.031 0.000 0.986 136 S CA 0.771 58.987 58.200 0.027 0.000 0.929 136 S CB 0.228 63.440 63.200 0.020 0.000 0.769 136 S HN 0.484 nan 8.310 nan 0.000 0.529 137 G N -0.017 108.808 108.800 0.041 0.000 2.184 137 G HA2 -0.164 3.796 3.960 -0.001 0.000 0.206 137 G HA3 -0.164 3.796 3.960 -0.001 0.000 0.206 137 G C -0.346 174.585 174.900 0.051 0.000 0.995 137 G CA -0.029 45.101 45.100 0.050 0.000 0.651 137 G HN 0.657 nan 8.290 nan 0.000 0.511 138 L N 2.256 123.507 121.223 0.047 0.000 2.272 138 L HA 0.743 5.083 4.340 -0.001 0.000 0.289 138 L C -2.201 174.705 176.870 0.060 0.000 1.032 138 L CA -2.494 52.375 54.840 0.050 0.000 0.810 138 L CB 1.076 43.162 42.059 0.044 0.000 1.205 138 L HN -0.120 nan 8.230 nan 0.000 0.422 139 P HA 0.354 nan 4.420 nan 0.000 0.272 139 P C -1.414 175.934 177.300 0.081 0.000 1.223 139 P CA -0.260 62.887 63.100 0.078 0.000 0.784 139 P CB 0.968 32.718 31.700 0.083 0.000 0.923 140 A N 1.628 124.506 122.820 0.096 0.000 2.374 140 A HA 0.809 5.128 4.320 -0.001 0.000 0.317 140 A C -0.919 176.754 177.584 0.147 0.000 1.094 140 A CA -0.598 51.495 52.037 0.093 0.000 0.765 140 A CB 1.372 20.409 19.000 0.062 0.000 1.268 140 A HN 0.509 nan 8.150 nan 0.000 0.438 141 A N 0.458 123.378 122.820 0.168 0.000 2.380 141 A HA 0.986 5.305 4.320 -0.001 0.000 0.315 141 A C 0.017 177.665 177.584 0.106 0.000 1.101 141 A CA -0.153 52.070 52.037 0.309 0.000 0.771 141 A CB 1.743 21.026 19.000 0.472 0.000 1.287 141 A HN 2.318 nan 8.150 nan 0.000 0.436 142 G N -0.231 108.492 108.800 -0.129 0.000 2.632 142 G HA2 0.499 4.458 3.960 -0.001 0.000 0.292 142 G HA3 0.499 4.458 3.960 -0.001 0.000 0.292 142 G C -1.470 172.872 174.900 -0.930 0.000 1.465 142 G CA -0.541 44.053 45.100 -0.844 0.000 0.824 142 G HN 0.812 nan 8.290 nan 0.000 0.509 143 E N 0.292 119.738 120.200 -1.255 0.000 2.259 143 E HA 0.366 4.715 4.350 -0.001 0.000 0.281 143 E C -0.872 175.447 176.600 -0.468 0.000 1.037 143 E CA -0.526 55.516 56.400 -0.598 0.000 0.854 143 E CB 0.533 30.029 29.700 -0.341 0.000 1.051 143 E HN 0.191 nan 8.360 nan 0.000 0.409 144 F N 5.791 125.583 119.950 -0.263 0.000 2.406 144 F HA 0.114 4.640 4.527 -0.001 0.000 0.358 144 F C 0.732 176.502 175.800 -0.050 0.000 1.161 144 F CA -0.368 57.538 58.000 -0.156 0.000 1.185 144 F CB 0.644 39.540 39.000 -0.173 0.000 1.421 144 F HN 0.537 nan 8.300 nan 0.000 0.576 145 L N 1.194 122.452 121.223 0.058 0.000 2.269 145 L HA 0.255 4.595 4.340 -0.001 0.000 0.200 145 L C 0.473 177.446 176.870 0.172 0.000 1.069 145 L CA 1.034 55.956 54.840 0.138 0.000 0.804 145 L CB -0.193 41.878 42.059 0.021 0.000 0.987 145 L HN 0.354 nan 8.230 nan 0.000 0.468 146 D N -1.200 119.232 120.400 0.053 0.000 2.341 146 D HA 0.103 4.743 4.640 -0.001 0.000 0.245 146 D C 1.201 177.507 176.300 0.010 0.000 1.106 146 D CA -0.021 53.991 54.000 0.020 0.000 0.905 146 D CB 0.851 41.646 40.800 -0.008 0.000 1.202 146 D HN 0.050 nan 8.370 nan 0.000 0.426 147 M N 2.598 122.185 119.600 -0.023 0.000 2.514 147 M HA 0.102 4.582 4.480 -0.001 0.000 0.258 147 M C 1.243 177.571 176.300 0.046 0.000 1.119 147 M CA 0.708 55.995 55.300 -0.022 0.000 1.111 147 M CB -0.217 32.347 32.600 -0.059 0.000 1.390 147 M HN 0.587 nan 8.290 nan 0.000 0.475 148 I N -0.377 120.231 120.570 0.063 0.000 3.339 148 I HA -0.101 4.069 4.170 -0.001 0.000 0.285 148 I C 2.244 178.487 176.117 0.211 0.000 1.201 148 I CA 0.897 62.268 61.300 0.119 0.000 1.434 148 I CB -0.201 37.866 38.000 0.111 0.000 1.152 148 I HN 0.261 nan 8.210 nan 0.000 0.443 149 T N -0.890 113.750 114.554 0.143 0.000 2.881 149 T HA -0.025 4.324 4.350 -0.001 0.000 0.270 149 T C -0.520 174.331 174.700 0.251 0.000 1.068 149 T CA 0.673 62.873 62.100 0.167 0.000 1.131 149 T CB -1.644 67.213 68.868 -0.018 0.000 0.871 149 T HN 0.113 nan 8.240 nan 0.000 0.479 150 P HA -0.138 nan 4.420 nan 0.000 0.216 150 P C 1.912 179.308 177.300 0.161 0.000 1.154 150 P CA 1.195 64.433 63.100 0.231 0.000 0.865 150 P CB -0.176 31.671 31.700 0.245 0.000 0.789 151 Q N -1.943 117.903 119.800 0.077 0.000 2.297 151 Q HA -0.171 4.169 4.340 -0.001 0.000 0.208 151 Q C 1.804 177.706 176.000 -0.163 0.000 0.981 151 Q CA 1.555 57.296 55.803 -0.104 0.000 0.876 151 Q CB -0.736 27.840 28.738 -0.270 0.000 0.921 151 Q HN 0.508 nan 8.270 nan 0.000 0.446 152 Y N -1.213 119.069 120.300 -0.030 0.000 2.517 152 Y HA 0.062 4.612 4.550 -0.001 0.000 0.281 152 Y C 1.811 177.695 175.900 -0.026 0.000 1.125 152 Y CA 0.518 58.594 58.100 -0.040 0.000 1.283 152 Y CB 0.414 38.842 38.460 -0.054 0.000 1.042 152 Y HN -0.022 nan 8.280 nan 0.000 0.547 153 L N -2.505 118.805 121.223 0.145 0.000 3.227 153 L HA 0.352 4.691 4.340 -0.001 0.000 0.287 153 L C 2.171 179.108 176.870 0.112 0.000 1.161 153 L CA 0.459 55.358 54.840 0.099 0.000 1.048 153 L CB -0.228 41.873 42.059 0.069 0.000 1.541 153 L HN -0.034 nan 8.230 nan 0.000 0.590 154 A N 1.487 124.400 122.820 0.154 0.000 1.997 154 A HA -0.273 4.047 4.320 -0.001 0.000 0.221 154 A C 1.901 179.560 177.584 0.124 0.000 1.172 154 A CA 2.250 54.413 52.037 0.210 0.000 0.645 154 A CB -0.581 18.532 19.000 0.188 0.000 0.813 154 A HN 0.633 nan 8.150 nan 0.000 0.454 155 D N -0.196 120.247 120.400 0.070 0.000 2.350 155 D HA -0.091 4.548 4.640 -0.001 0.000 0.216 155 D C 1.264 177.597 176.300 0.054 0.000 0.968 155 D CA 0.813 54.839 54.000 0.043 0.000 0.894 155 D CB -0.315 40.494 40.800 0.016 0.000 0.909 155 D HN 0.524 nan 8.370 nan 0.000 0.520 156 L N -0.664 120.604 121.223 0.075 0.000 2.808 156 L HA 0.215 4.555 4.340 -0.001 0.000 0.246 156 L C 0.309 177.237 176.870 0.097 0.000 1.153 156 L CA -0.251 54.634 54.840 0.075 0.000 0.956 156 L CB 0.245 42.347 42.059 0.071 0.000 1.270 156 L HN -0.131 nan 8.230 nan 0.000 0.528 157 M N -0.529 119.146 119.600 0.126 0.000 2.180 157 M HA 0.256 4.736 4.480 -0.001 0.000 0.350 157 M C 0.907 177.308 176.300 0.169 0.000 1.125 157 M CA 0.097 55.494 55.300 0.162 0.000 1.031 157 M CB 1.305 34.058 32.600 0.256 0.000 1.623 157 M HN -0.171 nan 8.290 nan 0.000 0.451 158 S N 1.896 117.709 115.700 0.188 0.000 2.517 158 S HA 0.121 4.591 4.470 -0.001 0.000 0.214 158 S C -0.342 174.445 174.600 0.313 0.000 0.991 158 S CA -0.015 58.306 58.200 0.202 0.000 0.906 158 S CB 0.334 63.639 63.200 0.176 0.000 0.789 158 S HN 0.735 nan 8.310 nan 0.000 0.513 159 W N -0.366 120.996 121.300 0.104 0.000 3.363 159 W HA 0.551 5.211 4.660 -0.001 0.000 0.306 159 W C -0.889 175.718 176.519 0.148 0.000 1.253 159 W CA -0.616 56.793 57.345 0.107 0.000 1.195 159 W CB 0.633 30.156 29.460 0.105 0.000 1.366 159 W HN -0.031 nan 8.180 nan 0.000 0.551 160 G N 1.599 110.024 108.800 -0.624 0.000 2.574 160 G HA2 0.845 4.805 3.960 -0.001 0.000 0.299 160 G HA3 0.845 4.805 3.960 -0.001 0.000 0.299 160 G C -1.896 172.285 174.900 -1.200 0.000 1.298 160 G CA -0.438 44.401 45.100 -0.436 0.000 0.952 160 G HN 1.003 nan 8.290 nan 0.000 0.477 161 A N 0.605 123.052 122.820 -0.622 0.000 2.401 161 A HA 0.770 5.090 4.320 -0.001 0.000 0.310 161 A C -0.972 176.406 177.584 -0.343 0.000 1.075 161 A CA -0.590 51.116 52.037 -0.551 0.000 0.746 161 A CB 1.371 20.308 19.000 -0.105 0.000 1.277 161 A HN 0.533 nan 8.150 nan 0.000 0.425 162 I N 2.389 122.705 120.570 -0.423 0.000 2.362 162 I HA 0.339 4.508 4.170 -0.001 0.000 0.289 162 I C 1.139 177.155 176.117 -0.169 0.000 0.994 162 I CA -0.186 60.924 61.300 -0.317 0.000 1.158 162 I CB 0.650 38.344 38.000 -0.509 0.000 1.315 162 I HN 0.830 nan 8.210 nan 0.000 0.451 163 G N 3.996 112.717 108.800 -0.132 0.000 2.630 163 G HA2 0.236 4.195 3.960 -0.001 0.000 0.236 163 G HA3 0.236 4.195 3.960 -0.001 0.000 0.236 163 G C 1.013 175.870 174.900 -0.072 0.000 1.248 163 G CA 0.260 45.306 45.100 -0.091 0.000 0.844 163 G HN 0.803 nan 8.290 nan 0.000 0.588 164 A N 1.136 123.926 122.820 -0.051 0.000 1.978 164 A HA -0.090 4.229 4.320 -0.001 0.000 0.220 164 A C 2.359 179.921 177.584 -0.037 0.000 1.170 164 A CA 1.415 53.438 52.037 -0.024 0.000 0.636 164 A CB -0.203 18.784 19.000 -0.022 0.000 0.810 164 A HN 0.681 nan 8.150 nan 0.000 0.448 165 R N -0.654 119.808 120.500 -0.064 0.000 2.307 165 R HA 0.007 4.347 4.340 -0.001 0.000 0.199 165 R C 1.014 177.244 176.300 -0.117 0.000 1.000 165 R CA 1.291 57.349 56.100 -0.069 0.000 1.023 165 R CB -0.096 30.169 30.300 -0.060 0.000 0.908 165 R HN 0.686 nan 8.270 nan 0.000 0.473 166 T N -5.667 108.780 114.554 -0.179 0.000 3.087 166 T HA 0.107 4.457 4.350 -0.001 0.000 0.283 166 T C 1.415 176.012 174.700 -0.172 0.000 0.956 166 T CA -0.256 61.648 62.100 -0.326 0.000 0.894 166 T CB 0.613 68.966 68.868 -0.858 0.000 1.160 166 T HN -0.184 nan 8.240 nan 0.000 0.532 167 T N 2.376 116.913 114.554 -0.029 0.000 2.833 167 T HA -0.049 4.301 4.350 -0.001 0.000 0.269 167 T C 1.535 176.273 174.700 0.063 0.000 1.054 167 T CA 1.591 63.772 62.100 0.135 0.000 1.135 167 T CB -0.188 68.777 68.868 0.162 0.000 0.869 167 T HN 0.614 nan 8.240 nan 0.000 0.466 168 E N 0.804 121.008 120.200 0.006 0.000 2.478 168 E HA 0.080 4.430 4.350 -0.001 0.000 0.194 168 E C 0.588 177.187 176.600 -0.002 0.000 1.045 168 E CA -0.211 56.182 56.400 -0.012 0.000 0.868 168 E CB 0.190 29.882 29.700 -0.013 0.000 0.885 168 E HN 0.220 nan 8.360 nan 0.000 0.505 169 S N 0.505 116.218 115.700 0.022 0.000 2.531 169 S HA -0.029 4.440 4.470 -0.001 0.000 0.279 169 S C 0.849 175.478 174.600 0.048 0.000 1.305 169 S CA -0.288 57.951 58.200 0.066 0.000 1.058 169 S CB 1.431 64.744 63.200 0.187 0.000 0.899 169 S HN 0.396 nan 8.310 nan 0.000 0.493 170 Q N 4.038 123.835 119.800 -0.005 0.000 2.119 170 Q HA -0.096 4.244 4.340 -0.001 0.000 0.201 170 Q C 1.832 177.734 176.000 -0.163 0.000 0.972 170 Q CA 1.953 57.712 55.803 -0.074 0.000 0.847 170 Q CB -0.246 28.459 28.738 -0.054 0.000 0.903 170 Q HN 0.880 nan 8.270 nan 0.000 0.433 171 V N -1.792 118.041 119.914 -0.135 0.000 2.407 171 V HA -0.232 3.888 4.120 -0.001 0.000 0.248 171 V C 1.459 177.329 176.094 -0.374 0.000 1.055 171 V CA 2.157 64.290 62.300 -0.279 0.000 1.049 171 V CB -0.883 30.801 31.823 -0.231 0.000 0.662 171 V HN 0.379 nan 8.190 nan 0.000 0.455 172 H N 0.408 119.385 119.070 -0.156 0.000 2.436 172 H HA 0.195 4.751 4.556 -0.001 0.000 0.294 172 H C 2.497 177.759 175.328 -0.110 0.000 1.048 172 H CA 1.559 57.537 56.048 -0.117 0.000 1.353 172 H CB -0.099 29.639 29.762 -0.041 0.000 1.414 172 H HN 0.362 nan 8.280 nan 0.000 0.536 173 R N 0.587 121.079 120.500 -0.013 0.000 2.092 173 R HA -0.093 4.247 4.340 -0.001 0.000 0.231 173 R C 1.902 178.001 176.300 -0.335 0.000 1.119 173 R CA 1.358 57.419 56.100 -0.064 0.000 0.970 173 R CB -0.012 30.204 30.300 -0.141 0.000 0.864 173 R HN 0.502 nan 8.270 nan 0.000 0.440 174 E N 0.733 120.574 120.200 -0.598 0.000 2.051 174 E HA -0.221 4.128 4.350 -0.001 0.000 0.192 174 E C 1.949 178.160 176.600 -0.649 0.000 0.991 174 E CA 1.088 56.912 56.400 -0.960 0.000 0.799 174 E CB -0.179 28.608 29.700 -1.521 0.000 0.748 174 E HN 0.096 nan 8.360 nan 0.000 0.449 175 L N 1.243 122.156 121.223 -0.516 0.000 2.013 175 L HA -0.192 4.148 4.340 -0.001 0.000 0.212 175 L C 2.242 179.003 176.870 -0.181 0.000 1.073 175 L CA 2.218 56.910 54.840 -0.247 0.000 0.753 175 L CB -0.683 41.239 42.059 -0.229 0.000 0.890 175 L HN 0.066 nan 8.230 nan 0.000 0.432 176 A N -0.955 121.755 122.820 -0.184 0.000 1.972 176 A HA -0.199 4.121 4.320 -0.001 0.000 0.219 176 A C 2.425 179.962 177.584 -0.080 0.000 1.169 176 A CA 1.814 53.744 52.037 -0.179 0.000 0.635 176 A CB -1.125 17.840 19.000 -0.058 0.000 0.810 176 A HN 0.697 nan 8.150 nan 0.000 0.446 177 S N -1.071 114.616 115.700 -0.022 0.000 2.469 177 S HA 0.104 4.574 4.470 -0.001 0.000 0.238 177 S C 1.475 176.123 174.600 0.079 0.000 0.998 177 S CA 1.200 59.441 58.200 0.069 0.000 0.957 177 S CB -0.401 62.901 63.200 0.170 0.000 0.764 177 S HN 0.723 nan 8.310 nan 0.000 0.514 178 G N 0.243 109.076 108.800 0.056 0.000 3.228 178 G HA2 0.438 4.398 3.960 -0.001 0.000 0.245 178 G HA3 0.438 4.398 3.960 -0.001 0.000 0.245 178 G C 0.117 174.995 174.900 -0.037 0.000 1.051 178 G CA -0.520 44.611 45.100 0.051 0.000 0.809 178 G HN 0.418 nan 8.290 nan 0.000 0.531 179 L N 1.143 122.293 121.223 -0.122 0.000 2.397 179 L HA 0.207 4.546 4.340 -0.001 0.000 0.271 179 L C 1.319 178.109 176.870 -0.133 0.000 1.148 179 L CA -0.404 54.311 54.840 -0.208 0.000 0.825 179 L CB 1.643 43.438 42.059 -0.441 0.000 1.117 179 L HN -0.016 nan 8.230 nan 0.000 0.456 180 S N 0.376 116.015 115.700 -0.101 0.000 2.603 180 S HA 0.013 4.483 4.470 -0.001 0.000 0.220 180 S C 0.257 174.831 174.600 -0.042 0.000 0.967 180 S CA -0.289 57.879 58.200 -0.055 0.000 0.920 180 S CB -0.348 62.833 63.200 -0.032 0.000 0.773 180 S HN 0.781 nan 8.310 nan 0.000 0.529 181 C N 0.028 119.282 119.300 -0.076 0.000 2.595 181 C HA 0.784 5.244 4.460 -0.001 0.000 0.338 181 C C -3.095 171.851 174.990 -0.072 0.000 1.219 181 C CA -3.085 55.915 59.018 -0.031 0.000 1.811 181 C CB 0.780 28.523 27.740 0.005 0.000 2.313 181 C HN 0.031 nan 8.230 nan 0.000 0.499 182 P HA 0.389 nan 4.420 nan 0.000 0.269 182 P C -0.899 176.213 177.300 -0.313 0.000 1.215 182 P CA 0.013 63.120 63.100 0.012 0.000 0.780 182 P CB 0.529 32.391 31.700 0.269 0.000 0.898 183 V N 1.829 121.517 119.914 -0.376 0.000 2.638 183 V HA 0.666 4.786 4.120 -0.001 0.000 0.306 183 V C 0.396 176.012 176.094 -0.797 0.000 1.052 183 V CA -0.548 61.316 62.300 -0.727 0.000 0.885 183 V CB 2.123 33.566 31.823 -0.633 0.000 0.999 183 V HN 0.699 nan 8.190 nan 0.000 0.424 184 G N 2.753 110.935 108.800 -1.030 0.000 2.372 184 G HA2 0.690 4.649 3.960 -0.001 0.000 0.323 184 G HA3 0.690 4.649 3.960 -0.001 0.000 0.323 184 G C -1.320 173.268 174.900 -0.521 0.000 1.152 184 G CA -0.319 44.325 45.100 -0.761 0.000 0.906 184 G HN 0.381 nan 8.290 nan 0.000 0.460 185 F N 1.359 121.194 119.950 -0.192 0.000 2.427 185 F HA 0.415 4.942 4.527 -0.001 0.000 0.346 185 F C 0.904 176.699 175.800 -0.008 0.000 1.120 185 F CA -0.627 57.317 58.000 -0.093 0.000 1.033 185 F CB 2.130 41.080 39.000 -0.083 0.000 1.126 185 F HN 0.127 nan 8.300 nan 0.000 0.462 186 K N 3.464 123.951 120.400 0.145 0.000 2.144 186 K HA 0.204 4.524 4.320 -0.001 0.000 0.270 186 K C 0.172 176.838 176.600 0.110 0.000 1.005 186 K CA -0.778 55.581 56.287 0.121 0.000 0.932 186 K CB 0.760 33.299 32.500 0.065 0.000 1.021 186 K HN 0.711 nan 8.250 nan 0.000 0.462 187 N N 0.239 118.997 118.700 0.097 0.000 2.326 187 N HA 0.002 4.741 4.740 -0.001 0.000 0.239 187 N C 0.312 175.852 175.510 0.050 0.000 1.301 187 N CA -0.459 52.636 53.050 0.073 0.000 0.909 187 N CB 0.308 38.838 38.487 0.073 0.000 1.156 187 N HN 0.528 nan 8.380 nan 0.000 0.462 188 G N -1.054 107.768 108.800 0.036 0.000 2.664 188 G HA2 0.075 4.034 3.960 -0.001 0.000 0.242 188 G HA3 0.075 4.034 3.960 -0.001 0.000 0.242 188 G C 1.302 176.215 174.900 0.022 0.000 1.225 188 G CA 0.155 45.269 45.100 0.022 0.000 0.849 188 G HN 0.742 nan 8.290 nan 0.000 0.581 189 T N -1.622 112.941 114.554 0.014 0.000 2.881 189 T HA -0.164 4.186 4.350 -0.001 0.000 0.270 189 T C 1.511 176.225 174.700 0.024 0.000 1.068 189 T CA 1.665 63.776 62.100 0.018 0.000 1.131 189 T CB -0.117 68.759 68.868 0.013 0.000 0.871 189 T HN 0.593 nan 8.240 nan 0.000 0.479 190 D N 1.040 121.453 120.400 0.022 0.000 2.349 190 D HA 0.192 4.831 4.640 -0.001 0.000 0.224 190 D C 1.668 177.984 176.300 0.027 0.000 1.029 190 D CA 0.647 54.660 54.000 0.023 0.000 0.879 190 D CB -0.663 40.148 40.800 0.019 0.000 0.906 190 D HN 0.626 nan 8.370 nan 0.000 0.528 191 G N -0.037 108.781 108.800 0.031 0.000 2.175 191 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.244 191 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.244 191 G C 0.437 175.362 174.900 0.042 0.000 0.982 191 G CA 0.205 45.327 45.100 0.037 0.000 0.641 191 G HN 0.425 nan 8.290 nan 0.000 0.527 192 T N 2.026 116.600 114.554 0.034 0.000 2.866 192 T HA 0.275 4.624 4.350 -0.001 0.000 0.293 192 T C 1.810 176.531 174.700 0.036 0.000 1.005 192 T CA 0.377 62.495 62.100 0.030 0.000 1.162 192 T CB 0.801 69.681 68.868 0.020 0.000 0.968 192 T HN 0.175 nan 8.240 nan 0.000 0.530 193 I N 2.894 123.487 120.570 0.038 0.000 2.867 193 I HA 0.038 4.208 4.170 -0.001 0.000 0.265 193 I C 2.298 178.430 176.117 0.025 0.000 1.162 193 I CA 0.892 62.217 61.300 0.043 0.000 1.471 193 I CB -0.753 37.278 38.000 0.052 0.000 1.123 193 I HN 0.666 nan 8.210 nan 0.000 0.440 194 K N 1.612 122.020 120.400 0.013 0.000 2.103 194 K HA -0.163 4.156 4.320 -0.001 0.000 0.207 194 K C 2.081 178.669 176.600 -0.019 0.000 1.048 194 K CA 1.826 58.112 56.287 -0.002 0.000 0.930 194 K CB 0.090 32.589 32.500 -0.003 0.000 0.716 194 K HN 0.299 nan 8.250 nan 0.000 0.444 195 V N -1.858 118.047 119.914 -0.014 0.000 2.490 195 V HA -0.112 4.008 4.120 -0.001 0.000 0.250 195 V C 2.189 178.246 176.094 -0.062 0.000 1.061 195 V CA 1.673 63.954 62.300 -0.032 0.000 1.064 195 V CB -0.967 30.848 31.823 -0.012 0.000 0.670 195 V HN 0.309 nan 8.190 nan 0.000 0.461 196 A N 0.647 123.449 122.820 -0.029 0.000 1.929 196 A HA 0.096 4.416 4.320 -0.001 0.000 0.216 196 A C 2.198 179.717 177.584 -0.108 0.000 1.176 196 A CA 1.705 53.720 52.037 -0.036 0.000 0.628 196 A CB -0.543 18.494 19.000 0.061 0.000 0.816 196 A HN 0.540 nan 8.150 nan 0.000 0.444 197 I N -0.045 120.489 120.570 -0.060 0.000 2.252 197 I HA -0.211 3.959 4.170 -0.001 0.000 0.245 197 I C 1.723 177.773 176.117 -0.111 0.000 1.102 197 I CA 1.363 62.627 61.300 -0.061 0.000 1.385 197 I CB -0.439 37.548 38.000 -0.022 0.000 1.064 197 I HN 0.233 nan 8.210 nan 0.000 0.414 198 D N 1.190 121.523 120.400 -0.112 0.000 2.144 198 D HA -0.134 4.505 4.640 -0.001 0.000 0.199 198 D C 2.256 178.429 176.300 -0.211 0.000 0.984 198 D CA 1.499 55.427 54.000 -0.120 0.000 0.834 198 D CB -0.133 40.616 40.800 -0.086 0.000 0.955 198 D HN 0.333 nan 8.370 nan 0.000 0.465 199 A N 0.814 123.427 122.820 -0.345 0.000 1.902 199 A HA -0.139 4.180 4.320 -0.001 0.000 0.217 199 A C 2.376 179.460 177.584 -0.833 0.000 1.181 199 A CA 0.862 52.494 52.037 -0.675 0.000 0.623 199 A CB -0.681 17.695 19.000 -1.039 0.000 0.818 199 A HN 0.192 nan 8.150 nan 0.000 0.443 200 I N -0.018 120.174 120.570 -0.630 0.000 2.179 200 I HA -0.276 3.894 4.170 -0.001 0.000 0.242 200 I C 2.240 178.255 176.117 -0.170 0.000 1.088 200 I CA 1.278 62.369 61.300 -0.347 0.000 1.357 200 I CB -0.520 37.402 38.000 -0.131 0.000 1.051 200 I HN 0.324 nan 8.210 nan 0.000 0.409 201 N N 1.163 119.783 118.700 -0.134 0.000 2.084 201 N HA -0.133 4.607 4.740 -0.001 0.000 0.190 201 N C 1.948 177.435 175.510 -0.038 0.000 1.030 201 N CA 1.697 54.709 53.050 -0.062 0.000 0.849 201 N CB -0.390 38.067 38.487 -0.050 0.000 1.012 201 N HN 0.350 nan 8.380 nan 0.000 0.423 202 A N 1.099 123.882 122.820 -0.062 0.000 1.883 202 A HA -0.046 4.274 4.320 -0.001 0.000 0.217 202 A C 2.318 179.989 177.584 0.146 0.000 1.186 202 A CA 2.142 54.204 52.037 0.041 0.000 0.624 202 A CB -0.867 18.120 19.000 -0.021 0.000 0.822 202 A HN 0.338 nan 8.150 nan 0.000 0.444 203 A N -0.833 121.984 122.820 -0.005 0.000 2.067 203 A HA 0.215 4.534 4.320 -0.001 0.000 0.219 203 A C 2.202 179.851 177.584 0.108 0.000 1.158 203 A CA 1.567 53.643 52.037 0.065 0.000 0.661 203 A CB -1.006 18.067 19.000 0.121 0.000 0.801 203 A HN 0.750 nan 8.150 nan 0.000 0.452 204 G N -0.907 107.935 108.800 0.069 0.000 2.650 204 G HA2 0.357 4.316 3.960 -0.001 0.000 0.214 204 G HA3 0.357 4.316 3.960 -0.001 0.000 0.214 204 G C 0.641 175.580 174.900 0.064 0.000 1.136 204 G CA 0.723 45.862 45.100 0.065 0.000 0.789 204 G HN 0.780 nan 8.290 nan 0.000 0.536 205 A N 0.675 123.541 122.820 0.075 0.000 2.282 205 A HA 0.738 5.058 4.320 -0.001 0.000 0.319 205 A C -2.303 175.288 177.584 0.013 0.000 1.121 205 A CA -1.590 50.449 52.037 0.003 0.000 0.836 205 A CB 1.218 20.168 19.000 -0.084 0.000 1.146 205 A HN 0.102 nan 8.150 nan 0.000 0.494 206 P HA 0.238 nan 4.420 nan 0.000 0.271 206 P C -0.931 176.291 177.300 -0.130 0.000 1.218 206 P CA 0.428 63.526 63.100 -0.003 0.000 0.780 206 P CB 0.635 32.326 31.700 -0.015 0.000 0.901 207 H N -0.325 118.818 119.070 0.122 0.000 2.928 207 H HA 0.365 4.920 4.556 -0.001 0.000 0.371 207 H C -0.726 174.726 175.328 0.206 0.000 1.186 207 H CA -0.465 55.702 56.048 0.198 0.000 1.134 207 H CB 2.294 32.231 29.762 0.292 0.000 1.824 207 H HN 0.471 nan 8.280 nan 0.000 0.554 208 C N 4.396 123.902 119.300 0.342 0.000 2.431 208 C HA 0.735 5.195 4.460 -0.001 0.000 0.321 208 C C -1.262 173.890 174.990 0.270 0.000 1.202 208 C CA -0.441 58.655 59.018 0.130 0.000 1.398 208 C CB -1.424 26.346 27.740 0.051 0.000 2.047 208 C HN 0.701 nan 8.230 nan 0.000 0.465 209 F N 3.411 123.385 119.950 0.040 0.000 2.817 209 F HA 0.697 5.224 4.527 -0.001 0.000 0.317 209 F C -1.784 174.024 175.800 0.012 0.000 1.168 209 F CA -1.462 56.553 58.000 0.024 0.000 0.911 209 F CB 0.601 39.609 39.000 0.013 0.000 1.337 209 F HN 0.364 nan 8.300 nan 0.000 0.464 210 L N 2.031 123.381 121.223 0.212 0.000 2.326 210 L HA 0.699 5.038 4.340 -0.001 0.000 0.278 210 L C 0.071 177.044 176.870 0.171 0.000 1.092 210 L CA -0.480 54.420 54.840 0.100 0.000 0.810 210 L CB 1.302 43.415 42.059 0.091 0.000 1.153 210 L HN 0.816 nan 8.230 nan 0.000 0.439 211 S N 1.616 117.354 115.700 0.065 0.000 2.596 211 S HA 0.599 5.069 4.470 -0.001 0.000 0.270 211 S C -1.134 173.497 174.600 0.053 0.000 1.155 211 S CA -0.559 57.696 58.200 0.092 0.000 0.827 211 S CB 1.993 65.243 63.200 0.084 0.000 1.130 211 S HN 0.205 nan 8.310 nan 0.000 0.467 212 V N 3.656 123.605 119.914 0.058 0.000 2.432 212 V HA 0.445 4.565 4.120 -0.001 0.000 0.275 212 V C 1.116 177.216 176.094 0.010 0.000 1.043 212 V CA -0.229 62.102 62.300 0.050 0.000 0.925 212 V CB 0.856 32.714 31.823 0.059 0.000 0.985 212 V HN 1.043 nan 8.190 nan 0.000 0.466 213 T N 1.990 116.556 114.554 0.020 0.000 2.732 213 T HA 0.184 4.534 4.350 -0.001 0.000 0.287 213 T C 1.150 175.754 174.700 -0.160 0.000 0.993 213 T CA -0.087 62.004 62.100 -0.015 0.000 0.966 213 T CB 0.453 69.398 68.868 0.129 0.000 1.047 213 T HN 0.774 nan 8.240 nan 0.000 0.527 214 K N -0.920 119.299 120.400 -0.303 0.000 2.442 214 K HA -0.042 4.278 4.320 -0.001 0.000 0.198 214 K C 1.125 177.291 176.600 -0.724 0.000 1.042 214 K CA 0.850 56.793 56.287 -0.574 0.000 0.958 214 K CB -0.339 31.744 32.500 -0.694 0.000 0.766 214 K HN 0.742 nan 8.250 nan 0.000 0.474 215 W N 1.009 122.143 121.300 -0.277 0.000 3.256 215 W HA 0.288 4.948 4.660 -0.000 0.000 0.269 215 W C 0.877 177.043 176.519 -0.587 0.000 1.310 215 W CA 0.251 57.340 57.345 -0.427 0.000 1.673 215 W CB 0.360 29.524 29.460 -0.493 0.000 1.115 215 W HN 0.337 nan 8.180 nan 0.000 0.686 216 G N 0.551 109.214 108.800 -0.228 0.000 2.147 216 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.244 216 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.244 216 G C -0.261 174.677 174.900 0.064 0.000 1.005 216 G CA -0.095 44.951 45.100 -0.090 0.000 0.713 216 G HN 0.524 nan 8.290 nan 0.000 0.515 217 H N 0.096 119.230 119.070 0.106 0.000 2.524 217 H HA 0.594 5.150 4.556 -0.001 0.000 0.353 217 H C 0.577 175.942 175.328 0.060 0.000 1.136 217 H CA -0.456 55.641 56.048 0.081 0.000 1.193 217 H CB 1.585 31.399 29.762 0.087 0.000 1.558 217 H HN 0.349 nan 8.280 nan 0.000 0.515 218 S N 1.785 117.587 115.700 0.170 0.000 2.576 218 S HA 0.658 5.128 4.470 -0.001 0.000 0.276 218 S C 0.110 174.757 174.600 0.080 0.000 1.339 218 S CA -0.467 57.791 58.200 0.097 0.000 1.039 218 S CB 1.346 64.587 63.200 0.068 0.000 0.902 218 S HN 0.794 nan 8.310 nan 0.000 0.516 219 A N 1.854 124.702 122.820 0.047 0.000 2.581 219 A HA 0.699 5.018 4.320 -0.001 0.000 0.290 219 A C -1.078 176.492 177.584 -0.024 0.000 1.119 219 A CA -1.045 51.004 52.037 0.019 0.000 0.670 219 A CB 0.734 19.753 19.000 0.031 0.000 1.280 219 A HN 0.819 nan 8.150 nan 0.000 0.425 220 I N 1.371 121.914 120.570 -0.044 0.000 2.331 220 I HA 0.490 4.659 4.170 -0.001 0.000 0.292 220 I C -0.167 175.863 176.117 -0.144 0.000 0.998 220 I CA -0.741 60.509 61.300 -0.085 0.000 1.267 220 I CB 1.457 39.425 38.000 -0.053 0.000 1.386 220 I HN 0.573 nan 8.210 nan 0.000 0.476 221 V N 2.787 122.531 119.914 -0.284 0.000 2.769 221 V HA 0.648 4.768 4.120 -0.001 0.000 0.312 221 V C -0.834 175.027 176.094 -0.388 0.000 1.061 221 V CA -0.660 61.436 62.300 -0.339 0.000 0.931 221 V CB 2.063 33.624 31.823 -0.437 0.000 1.010 221 V HN 0.720 nan 8.190 nan 0.000 0.433 222 N N 1.588 120.150 118.700 -0.229 0.000 2.314 222 N HA 0.733 5.472 4.740 -0.001 0.000 0.294 222 N C -0.357 175.107 175.510 -0.077 0.000 1.029 222 N CA -0.351 52.620 53.050 -0.132 0.000 0.845 222 N CB 2.153 40.600 38.487 -0.066 0.000 1.321 222 N HN 1.096 nan 8.380 nan 0.000 0.481 223 T N -2.361 112.200 114.554 0.012 0.000 2.952 223 T HA 0.429 4.778 4.350 -0.001 0.000 0.286 223 T C 0.948 175.689 174.700 0.067 0.000 1.024 223 T CA -0.643 61.497 62.100 0.066 0.000 1.029 223 T CB 1.353 70.331 68.868 0.183 0.000 1.094 223 T HN 0.373 nan 8.240 nan 0.000 0.515 224 S N -0.496 115.237 115.700 0.054 0.000 2.517 224 S HA 0.522 4.991 4.470 -0.001 0.000 0.214 224 S C 1.240 175.873 174.600 0.056 0.000 0.991 224 S CA 0.042 58.266 58.200 0.040 0.000 0.906 224 S CB -0.898 62.316 63.200 0.023 0.000 0.789 224 S HN 2.087 nan 8.310 nan 0.000 0.513 225 G N 1.265 110.120 108.800 0.091 0.000 2.712 225 G HA2 -0.056 3.904 3.960 -0.001 0.000 0.686 225 G HA3 -0.056 3.904 3.960 -0.001 0.000 0.686 225 G C -1.193 173.751 174.900 0.073 0.000 1.181 225 G CA -0.625 44.537 45.100 0.104 0.000 0.762 225 G HN 0.416 nan 8.290 nan 0.000 0.641 226 N N 0.716 119.461 118.700 0.076 0.000 2.476 226 N HA 0.530 5.269 4.740 -0.001 0.000 0.257 226 N C 1.296 176.851 175.510 0.075 0.000 0.970 226 N CA 0.415 53.500 53.050 0.057 0.000 0.938 226 N CB 1.262 39.769 38.487 0.033 0.000 1.144 226 N HN 1.034 nan 8.380 nan 0.000 0.500 227 G N 1.466 110.315 108.800 0.082 0.000 2.712 227 G HA2 -0.082 3.877 3.960 -0.001 0.000 0.212 227 G HA3 -0.082 3.877 3.960 -0.001 0.000 0.212 227 G C 0.241 175.219 174.900 0.131 0.000 1.142 227 G CA 0.103 45.264 45.100 0.101 0.000 0.789 227 G HN 0.537 nan 8.290 nan 0.000 0.535 228 D N 0.712 121.196 120.400 0.142 0.000 3.134 228 D HA 0.250 4.890 4.640 -0.001 0.000 0.248 228 D C -0.058 176.337 176.300 0.158 0.000 1.273 228 D CA -0.041 54.068 54.000 0.181 0.000 0.904 228 D CB 0.092 41.023 40.800 0.218 0.000 1.089 228 D HN 0.032 nan 8.370 nan 0.000 0.478 229 C N 0.447 119.838 119.300 0.152 0.000 2.454 229 C HA 0.721 5.181 4.460 -0.001 0.000 0.336 229 C C 0.153 175.269 174.990 0.210 0.000 1.189 229 C CA -0.651 58.449 59.018 0.136 0.000 1.877 229 C CB 0.881 28.755 27.740 0.224 0.000 2.348 229 C HN 0.627 nan 8.230 nan 0.000 0.508 230 H N -0.751 118.456 119.070 0.228 0.000 2.990 230 H HA 0.693 5.249 4.556 -0.001 0.000 0.336 230 H C -1.181 174.294 175.328 0.244 0.000 1.306 230 H CA -0.910 55.261 56.048 0.204 0.000 1.118 230 H CB 0.546 30.424 29.762 0.193 0.000 1.856 230 H HN 0.658 nan 8.280 nan 0.000 0.538 231 I N 1.139 121.935 120.570 0.377 0.000 2.577 231 I HA 0.435 4.605 4.170 -0.001 0.000 0.300 231 I C -0.806 175.543 176.117 0.386 0.000 0.990 231 I CA -1.042 60.439 61.300 0.301 0.000 1.283 231 I CB 0.539 38.661 38.000 0.203 0.000 1.411 231 I HN 0.572 nan 8.210 nan 0.000 0.515 232 I N 7.532 128.274 120.570 0.287 0.000 2.439 232 I HA 0.266 4.435 4.170 -0.001 0.000 0.285 232 I C -0.872 175.364 176.117 0.198 0.000 1.021 232 I CA -0.551 60.914 61.300 0.276 0.000 1.091 232 I CB 1.571 39.741 38.000 0.284 0.000 1.242 232 I HN 0.377 nan 8.210 nan 0.000 0.439 233 L N 7.146 128.481 121.223 0.187 0.000 2.278 233 L HA 0.346 4.686 4.340 -0.001 0.000 0.287 233 L C 0.711 177.680 176.870 0.165 0.000 1.072 233 L CA -0.320 54.614 54.840 0.157 0.000 0.819 233 L CB 0.390 42.541 42.059 0.154 0.000 1.176 233 L HN 0.686 nan 8.230 nan 0.000 0.435 234 R N 1.351 121.933 120.500 0.137 0.000 2.572 234 R HA 0.491 4.830 4.340 -0.001 0.000 0.370 234 R C 0.298 176.675 176.300 0.129 0.000 1.005 234 R CA -0.106 56.084 56.100 0.151 0.000 1.146 234 R CB 0.300 30.672 30.300 0.121 0.000 1.390 234 R HN 0.606 nan 8.270 nan 0.000 0.553 235 G N -1.112 107.741 108.800 0.088 0.000 2.781 235 G HA2 0.189 4.149 3.960 -0.001 0.000 0.683 235 G HA3 0.189 4.149 3.960 -0.001 0.000 0.683 235 G C -0.035 174.889 174.900 0.040 0.000 1.390 235 G CA -0.535 44.592 45.100 0.045 0.000 0.850 235 G HN 0.692 nan 8.290 nan 0.000 0.557 236 G N -1.020 107.792 108.800 0.021 0.000 3.354 236 G HA2 0.583 4.543 3.960 -0.001 0.000 0.174 236 G HA3 0.583 4.543 3.960 -0.001 0.000 0.174 236 G C 0.949 175.865 174.900 0.026 0.000 1.140 236 G CA 0.605 45.721 45.100 0.028 0.000 0.897 236 G HN 0.803 nan 8.290 nan 0.000 0.685 237 K N 0.428 120.842 120.400 0.024 0.000 2.211 237 K HA 0.044 4.364 4.320 -0.001 0.000 0.204 237 K C 0.267 176.878 176.600 0.017 0.000 1.047 237 K CA 1.135 57.436 56.287 0.022 0.000 0.935 237 K CB -0.007 32.507 32.500 0.022 0.000 0.728 237 K HN 0.393 nan 8.250 nan 0.000 0.452 238 E N -0.594 119.610 120.200 0.006 0.000 2.408 238 E HA 0.276 4.626 4.350 -0.001 0.000 0.275 238 E C -2.777 173.781 176.600 -0.070 0.000 0.935 238 E CA -2.478 53.913 56.400 -0.015 0.000 0.775 238 E CB 2.079 31.776 29.700 -0.005 0.000 1.277 238 E HN -0.210 nan 8.360 nan 0.000 0.455 239 P HA 0.001 nan 4.420 nan 0.000 0.268 239 P C -0.471 176.513 177.300 -0.526 0.000 1.208 239 P CA 0.082 63.077 63.100 -0.175 0.000 0.777 239 P CB 0.343 31.969 31.700 -0.125 0.000 0.875 240 N N 0.298 118.698 118.700 -0.500 0.000 2.588 240 N HA 0.035 4.775 4.740 -0.001 0.000 0.298 240 N C -0.215 175.092 175.510 -0.338 0.000 1.718 240 N CA -0.491 52.052 53.050 -0.845 0.000 0.888 240 N CB -0.794 37.480 38.487 -0.355 0.000 1.389 240 N HN 0.391 nan 8.380 nan 0.000 0.491 241 Y N -1.365 118.826 120.300 -0.181 0.000 2.458 241 Y HA 0.461 5.010 4.550 -0.001 0.000 0.254 241 Y C 0.571 176.482 175.900 0.018 0.000 1.120 241 Y CA -0.808 57.274 58.100 -0.030 0.000 1.282 241 Y CB -0.606 37.833 38.460 -0.034 0.000 1.109 241 Y HN 0.121 nan 8.280 nan 0.000 0.526 242 S N 0.782 116.352 115.700 -0.217 0.000 2.589 242 S HA 0.447 4.917 4.470 -0.001 0.000 0.265 242 S C 1.667 176.331 174.600 0.106 0.000 1.342 242 S CA -0.235 57.966 58.200 0.001 0.000 1.005 242 S CB 1.324 64.491 63.200 -0.055 0.000 0.909 242 S HN 0.572 nan 8.310 nan 0.000 0.555 243 A N 1.892 124.760 122.820 0.078 0.000 1.917 243 A HA -0.162 4.158 4.320 -0.001 0.000 0.219 243 A C 2.202 179.807 177.584 0.035 0.000 1.182 243 A CA 1.895 53.966 52.037 0.058 0.000 0.633 243 A CB -0.987 18.035 19.000 0.037 0.000 0.819 243 A HN 0.925 nan 8.150 nan 0.000 0.448 244 K N -1.420 118.979 120.400 -0.000 0.000 2.032 244 K HA -0.215 4.104 4.320 -0.001 0.000 0.209 244 K C 1.971 178.504 176.600 -0.113 0.000 1.048 244 K CA 1.986 58.224 56.287 -0.082 0.000 0.927 244 K CB -0.400 32.003 32.500 -0.162 0.000 0.712 244 K HN 0.716 nan 8.250 nan 0.000 0.441 245 H N -0.054 118.995 119.070 -0.035 0.000 2.357 245 H HA -0.081 4.474 4.556 -0.001 0.000 0.301 245 H C 2.112 177.445 175.328 0.009 0.000 1.082 245 H CA 1.361 57.397 56.048 -0.021 0.000 1.342 245 H CB -0.226 29.512 29.762 -0.040 0.000 1.389 245 H HN -0.092 nan 8.280 nan 0.000 0.511 246 V N 0.844 120.844 119.914 0.144 0.000 2.287 246 V HA -0.322 3.797 4.120 -0.001 0.000 0.248 246 V C 2.615 178.748 176.094 0.066 0.000 1.053 246 V CA 1.836 64.199 62.300 0.105 0.000 1.027 246 V CB -1.106 30.775 31.823 0.096 0.000 0.646 246 V HN 0.609 nan 8.190 nan 0.000 0.447 247 A N -0.309 122.535 122.820 0.039 0.000 1.908 247 A HA -0.281 4.038 4.320 -0.001 0.000 0.218 247 A C 2.161 179.754 177.584 0.015 0.000 1.181 247 A CA 2.105 54.154 52.037 0.020 0.000 0.627 247 A CB -0.539 18.462 19.000 0.002 0.000 0.818 247 A HN 0.669 nan 8.150 nan 0.000 0.445 248 E N -0.434 119.769 120.200 0.005 0.000 2.077 248 E HA -0.130 4.220 4.350 -0.001 0.000 0.193 248 E C 1.987 178.603 176.600 0.026 0.000 0.989 248 E CA 1.347 57.748 56.400 0.002 0.000 0.800 248 E CB -0.323 29.364 29.700 -0.021 0.000 0.746 248 E HN 0.431 nan 8.360 nan 0.000 0.452 249 V N 1.742 121.686 119.914 0.050 0.000 2.358 249 V HA -0.241 3.879 4.120 -0.001 0.000 0.246 249 V C 2.098 178.223 176.094 0.052 0.000 1.047 249 V CA 1.694 64.031 62.300 0.061 0.000 1.035 249 V CB -0.408 31.468 31.823 0.087 0.000 0.658 249 V HN 0.190 nan 8.190 nan 0.000 0.452 250 K N -0.042 120.388 120.400 0.049 0.000 2.103 250 K HA -0.259 4.061 4.320 -0.001 0.000 0.207 250 K C 2.189 178.807 176.600 0.031 0.000 1.048 250 K CA 1.837 58.150 56.287 0.042 0.000 0.930 250 K CB -0.145 32.377 32.500 0.037 0.000 0.716 250 K HN 0.585 nan 8.250 nan 0.000 0.444 251 E N 0.357 120.572 120.200 0.025 0.000 2.072 251 E HA -0.116 4.233 4.350 -0.001 0.000 0.190 251 E C 2.160 178.771 176.600 0.017 0.000 0.982 251 E CA 0.978 57.388 56.400 0.017 0.000 0.803 251 E CB -0.096 29.610 29.700 0.010 0.000 0.755 251 E HN 0.353 nan 8.360 nan 0.000 0.453 252 G N 1.416 110.228 108.800 0.021 0.000 2.442 252 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.219 252 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.219 252 G C 1.571 176.482 174.900 0.019 0.000 1.141 252 G CA 0.787 45.898 45.100 0.019 0.000 0.763 252 G HN 0.192 nan 8.290 nan 0.000 0.554 253 L N 0.063 121.303 121.223 0.027 0.000 2.005 253 L HA -0.070 4.269 4.340 -0.001 0.000 0.207 253 L C 2.726 179.609 176.870 0.022 0.000 1.072 253 L CA 1.284 56.141 54.840 0.028 0.000 0.744 253 L CB -0.621 41.464 42.059 0.042 0.000 0.895 253 L HN 0.270 nan 8.230 nan 0.000 0.433 254 N N -0.046 118.667 118.700 0.021 0.000 2.104 254 N HA -0.253 4.487 4.740 -0.001 0.000 0.190 254 N C 1.764 177.281 175.510 0.012 0.000 1.024 254 N CA 1.026 54.086 53.050 0.017 0.000 0.853 254 N CB -0.043 38.454 38.487 0.016 0.000 1.008 254 N HN 0.080 nan 8.380 nan 0.000 0.424 255 K N 1.195 121.601 120.400 0.010 0.000 2.280 255 K HA 0.030 4.349 4.320 -0.001 0.000 0.202 255 K C 1.168 177.770 176.600 0.005 0.000 1.047 255 K CA 0.717 57.008 56.287 0.006 0.000 0.942 255 K CB -0.018 32.486 32.500 0.005 0.000 0.739 255 K HN 0.161 nan 8.250 nan 0.000 0.457 256 A N -1.025 121.799 122.820 0.006 0.000 2.308 256 A HA 0.394 4.714 4.320 -0.001 0.000 0.217 256 A C 1.218 178.804 177.584 0.003 0.000 1.216 256 A CA 0.420 52.458 52.037 0.002 0.000 0.864 256 A CB -0.296 18.703 19.000 -0.001 0.000 0.902 256 A HN 0.380 nan 8.150 nan 0.000 0.499 257 G N -0.948 107.856 108.800 0.008 0.000 2.148 257 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.254 257 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.254 257 G C 0.035 174.943 174.900 0.015 0.000 0.981 257 G CA 0.524 45.630 45.100 0.010 0.000 0.670 257 G HN 0.456 nan 8.290 nan 0.000 0.528 258 L N 0.107 121.341 121.223 0.018 0.000 2.352 258 L HA 0.542 4.882 4.340 -0.001 0.000 0.269 258 L C -1.938 174.953 176.870 0.033 0.000 1.034 258 L CA -2.569 52.287 54.840 0.027 0.000 0.806 258 L CB 1.477 43.553 42.059 0.029 0.000 1.244 258 L HN -0.164 nan 8.230 nan 0.000 0.447 259 P HA 0.032 nan 4.420 nan 0.000 0.269 259 P C -0.835 176.493 177.300 0.046 0.000 1.209 259 P CA -0.256 62.868 63.100 0.040 0.000 0.776 259 P CB 0.619 32.344 31.700 0.042 0.000 0.876 260 A N 3.444 126.287 122.820 0.039 0.000 3.056 260 A HA 0.169 4.489 4.320 -0.001 0.000 0.274 260 A C 0.012 177.623 177.584 0.046 0.000 1.661 260 A CA 0.116 52.178 52.037 0.042 0.000 1.363 260 A CB -0.880 18.140 19.000 0.033 0.000 1.139 260 A HN 0.495 nan 8.150 nan 0.000 0.598 261 Q N 0.005 119.842 119.800 0.061 0.000 2.397 261 Q HA 0.664 5.003 4.340 -0.001 0.000 0.275 261 Q C -0.887 175.164 176.000 0.084 0.000 1.090 261 Q CA -0.909 54.927 55.803 0.056 0.000 0.809 261 Q CB 2.938 31.702 28.738 0.044 0.000 1.362 261 Q HN 0.655 nan 8.270 nan 0.000 0.431 262 V N -1.439 118.516 119.914 0.067 0.000 3.087 262 V HA 0.725 4.845 4.120 -0.001 0.000 0.306 262 V C -1.207 174.926 176.094 0.066 0.000 1.187 262 V CA -1.037 61.327 62.300 0.106 0.000 0.999 262 V CB 2.210 34.105 31.823 0.120 0.000 1.049 262 V HN 0.916 nan 8.190 nan 0.000 0.431 263 M N 3.752 123.427 119.600 0.124 0.000 2.364 263 M HA 0.712 5.192 4.480 -0.001 0.000 0.334 263 M C -1.778 174.610 176.300 0.146 0.000 1.107 263 M CA -0.699 54.652 55.300 0.084 0.000 0.988 263 M CB 1.703 34.390 32.600 0.144 0.000 1.673 263 M HN 0.781 nan 8.290 nan 0.000 0.441 264 I N 3.579 124.226 120.570 0.128 0.000 2.389 264 I HA 0.246 4.415 4.170 -0.001 0.000 0.288 264 I C -0.794 175.433 176.117 0.183 0.000 0.999 264 I CA -0.746 60.681 61.300 0.211 0.000 1.129 264 I CB 1.599 39.788 38.000 0.314 0.000 1.288 264 I HN 0.617 nan 8.210 nan 0.000 0.444 265 D N 6.058 126.580 120.400 0.203 0.000 2.325 265 D HA 0.133 4.773 4.640 -0.001 0.000 0.251 265 D C 0.576 177.067 176.300 0.319 0.000 1.196 265 D CA -0.068 54.036 54.000 0.174 0.000 0.866 265 D CB 0.726 41.653 40.800 0.210 0.000 1.101 265 D HN 0.220 nan 8.370 nan 0.000 0.476 266 F N 1.570 121.515 119.950 -0.009 0.000 2.558 266 F HA 0.046 4.572 4.527 -0.001 0.000 0.298 266 F C 1.748 177.511 175.800 -0.061 0.000 1.119 266 F CA -0.081 57.872 58.000 -0.079 0.000 1.451 266 F CB -0.777 38.155 39.000 -0.114 0.000 1.091 266 F HN 0.215 nan 8.300 nan 0.000 0.563 267 S N -2.233 113.557 115.700 0.150 0.000 2.623 267 S HA 0.459 4.928 4.470 -0.001 0.000 0.287 267 S C 0.006 174.626 174.600 0.033 0.000 1.123 267 S CA 0.007 58.198 58.200 -0.015 0.000 1.016 267 S CB 0.331 63.386 63.200 -0.242 0.000 1.233 267 S HN 0.439 nan 8.310 nan 0.000 0.512 268 H N -0.428 118.681 119.070 0.064 0.000 1.452 268 H HA -0.283 4.272 4.556 -0.001 0.000 0.090 268 H C 1.395 176.762 175.328 0.064 0.000 0.910 268 H CA 1.313 57.397 56.048 0.060 0.000 1.901 268 H CB -1.531 28.265 29.762 0.057 0.000 2.257 268 H HN 0.657 nan 8.280 nan 0.000 0.961 269 A N 0.139 123.092 122.820 0.222 0.000 2.121 269 A HA -0.130 4.190 4.320 -0.001 0.000 0.218 269 A C 1.871 179.529 177.584 0.123 0.000 1.154 269 A CA 1.752 53.868 52.037 0.133 0.000 0.679 269 A CB -0.287 18.775 19.000 0.103 0.000 0.795 269 A HN 0.549 nan 8.150 nan 0.000 0.458 270 N N -0.043 118.752 118.700 0.159 0.000 2.463 270 N HA -0.053 4.687 4.740 -0.001 0.000 0.181 270 N C 1.337 176.941 175.510 0.157 0.000 1.078 270 N CA 1.258 54.431 53.050 0.206 0.000 0.902 270 N CB 0.079 38.725 38.487 0.265 0.000 0.970 270 N HN 0.606 nan 8.380 nan 0.000 0.451 271 S N -1.819 113.932 115.700 0.086 0.000 2.629 271 S HA 0.192 4.662 4.470 -0.001 0.000 0.236 271 S C 0.430 175.049 174.600 0.031 0.000 1.010 271 S CA -0.335 57.883 58.200 0.030 0.000 0.981 271 S CB 0.325 63.526 63.200 0.001 0.000 0.919 271 S HN -0.016 nan 8.310 nan 0.000 0.514 272 S N 2.332 118.065 115.700 0.055 0.000 3.587 272 S HA -0.175 4.295 4.470 -0.001 0.000 0.337 272 S C 0.274 174.896 174.600 0.037 0.000 1.119 272 S CA 0.959 59.185 58.200 0.044 0.000 0.976 272 S CB -2.010 61.208 63.200 0.030 0.000 0.922 272 S HN 0.853 nan 8.310 nan 0.000 0.503 273 K N -1.345 119.080 120.400 0.042 0.000 3.129 273 K HA -0.233 4.087 4.320 -0.001 0.000 0.273 273 K C -0.389 176.237 176.600 0.044 0.000 1.123 273 K CA 1.147 57.459 56.287 0.041 0.000 0.800 273 K CB -1.279 31.252 32.500 0.053 0.000 1.238 273 K HN 0.714 nan 8.250 nan 0.000 0.492 274 Q N 0.159 119.972 119.800 0.021 0.000 2.401 274 Q HA 0.194 4.534 4.340 -0.001 0.000 0.260 274 Q C 0.861 176.833 176.000 -0.045 0.000 1.034 274 Q CA -0.556 55.238 55.803 -0.015 0.000 0.737 274 Q CB 0.501 29.196 28.738 -0.072 0.000 1.227 274 Q HN 0.330 nan 8.270 nan 0.000 0.488 275 F N 2.102 122.031 119.950 -0.035 0.000 2.115 275 F HA -0.263 4.264 4.527 -0.001 0.000 0.300 275 F C 1.395 177.176 175.800 -0.032 0.000 1.092 275 F CA 1.205 59.181 58.000 -0.040 0.000 1.245 275 F CB -0.077 38.902 39.000 -0.034 0.000 0.995 275 F HN 0.236 nan 8.300 nan 0.000 0.481 276 K N 1.193 121.069 120.400 -0.873 0.000 2.209 276 K HA -0.093 4.227 4.320 -0.001 0.000 0.204 276 K C 1.762 178.211 176.600 -0.251 0.000 1.048 276 K CA 1.187 57.143 56.287 -0.551 0.000 0.940 276 K CB -0.446 31.664 32.500 -0.650 0.000 0.729 276 K HN 0.484 nan 8.250 nan 0.000 0.451 277 K N 0.892 121.165 120.400 -0.211 0.000 2.442 277 K HA -0.081 4.239 4.320 -0.001 0.000 0.198 277 K C 1.885 178.401 176.600 -0.140 0.000 1.042 277 K CA 0.537 56.737 56.287 -0.146 0.000 0.958 277 K CB 0.072 32.508 32.500 -0.106 0.000 0.766 277 K HN 0.259 nan 8.250 nan 0.000 0.474 278 Q N -0.123 119.625 119.800 -0.086 0.000 2.224 278 Q HA -0.068 4.272 4.340 -0.001 0.000 0.203 278 Q C 1.824 177.758 176.000 -0.109 0.000 0.970 278 Q CA 0.887 56.663 55.803 -0.044 0.000 0.865 278 Q CB 0.041 28.829 28.738 0.083 0.000 0.922 278 Q HN 0.283 nan 8.270 nan 0.000 0.445 279 M N 0.465 120.005 119.600 -0.101 0.000 2.254 279 M HA -0.105 4.375 4.480 -0.001 0.000 0.265 279 M C 1.129 177.320 176.300 -0.183 0.000 1.066 279 M CA 1.188 56.422 55.300 -0.111 0.000 1.123 279 M CB -0.565 31.986 32.600 -0.082 0.000 1.388 279 M HN 0.111 nan 8.290 nan 0.000 0.425 280 D N 0.080 120.357 120.400 -0.204 0.000 2.162 280 D HA -0.039 4.601 4.640 -0.001 0.000 0.203 280 D C 2.280 178.358 176.300 -0.369 0.000 0.967 280 D CA 0.915 54.786 54.000 -0.215 0.000 0.840 280 D CB 0.012 40.722 40.800 -0.150 0.000 0.972 280 D HN 0.148 nan 8.370 nan 0.000 0.482 281 V N 0.978 120.553 119.914 -0.564 0.000 2.407 281 V HA -0.234 3.885 4.120 -0.001 0.000 0.248 281 V C 2.732 178.170 176.094 -1.093 0.000 1.055 281 V CA 1.223 62.890 62.300 -1.055 0.000 1.049 281 V CB -0.463 30.679 31.823 -1.135 0.000 0.662 281 V HN 0.340 nan 8.190 nan 0.000 0.455 282 C N 0.535 119.270 119.300 -0.942 0.000 2.429 282 C HA -0.115 4.344 4.460 -0.001 0.000 0.277 282 C C 3.079 177.852 174.990 -0.363 0.000 1.262 282 C CA 0.927 59.511 59.018 -0.724 0.000 1.733 282 C CB -1.200 26.414 27.740 -0.209 0.000 2.010 282 C HN 0.577 nan 8.230 nan 0.000 0.483 283 A N -0.254 122.401 122.820 -0.274 0.000 1.902 283 A HA -0.205 4.114 4.320 -0.001 0.000 0.217 283 A C 2.151 179.650 177.584 -0.141 0.000 1.181 283 A CA 2.116 54.057 52.037 -0.159 0.000 0.623 283 A CB -0.851 18.075 19.000 -0.123 0.000 0.818 283 A HN 0.755 nan 8.150 nan 0.000 0.443 284 D N -0.262 120.025 120.400 -0.187 0.000 2.149 284 D HA -0.084 4.556 4.640 -0.001 0.000 0.201 284 D C 1.866 178.124 176.300 -0.070 0.000 0.972 284 D CA 1.514 55.462 54.000 -0.086 0.000 0.835 284 D CB 0.102 40.906 40.800 0.006 0.000 0.966 284 D HN 0.214 nan 8.370 nan 0.000 0.476 285 V N 0.374 120.180 119.914 -0.180 0.000 2.591 285 V HA -0.181 3.939 4.120 -0.001 0.000 0.249 285 V C 2.839 178.927 176.094 -0.010 0.000 1.053 285 V CA 0.930 63.186 62.300 -0.072 0.000 1.068 285 V CB -0.351 31.409 31.823 -0.105 0.000 0.689 285 V HN 0.351 nan 8.190 nan 0.000 0.462 286 C N -0.529 118.749 119.300 -0.038 0.000 2.435 286 C HA -0.165 4.295 4.460 -0.001 0.000 0.279 286 C C 2.811 177.798 174.990 -0.005 0.000 1.321 286 C CA 1.358 60.373 59.018 -0.005 0.000 1.752 286 C CB -0.818 26.911 27.740 -0.018 0.000 1.959 286 C HN 0.639 nan 8.230 nan 0.000 0.500 287 Q N 0.285 120.077 119.800 -0.014 0.000 2.084 287 Q HA -0.224 4.116 4.340 -0.001 0.000 0.202 287 Q C 2.268 178.273 176.000 0.009 0.000 0.978 287 Q CA 1.558 57.358 55.803 -0.004 0.000 0.844 287 Q CB -0.106 28.628 28.738 -0.006 0.000 0.898 287 Q HN 0.698 nan 8.270 nan 0.000 0.426 288 Q N 0.017 119.828 119.800 0.019 0.000 2.050 288 Q HA -0.149 4.190 4.340 -0.001 0.000 0.202 288 Q C 2.182 178.198 176.000 0.027 0.000 0.980 288 Q CA 1.440 57.261 55.803 0.030 0.000 0.840 288 Q CB -0.054 28.714 28.738 0.050 0.000 0.898 288 Q HN 0.467 nan 8.270 nan 0.000 0.424 289 I N 0.638 121.225 120.570 0.028 0.000 2.142 289 I HA -0.261 3.909 4.170 -0.001 0.000 0.240 289 I C 2.399 178.525 176.117 0.015 0.000 1.078 289 I CA 1.063 62.378 61.300 0.025 0.000 1.343 289 I CB -0.440 37.577 38.000 0.029 0.000 1.046 289 I HN 0.146 nan 8.210 nan 0.000 0.405 290 A N 0.765 123.591 122.820 0.010 0.000 2.070 290 A HA -0.085 4.235 4.320 -0.001 0.000 0.220 290 A C 2.305 179.892 177.584 0.006 0.000 1.159 290 A CA 1.644 53.684 52.037 0.005 0.000 0.656 290 A CB -1.182 17.818 19.000 0.001 0.000 0.800 290 A HN 0.509 nan 8.150 nan 0.000 0.453 291 G N -1.861 106.944 108.800 0.009 0.000 2.650 291 G HA2 0.319 4.279 3.960 -0.001 0.000 0.214 291 G HA3 0.319 4.279 3.960 -0.001 0.000 0.214 291 G C 1.078 175.983 174.900 0.009 0.000 1.136 291 G CA 0.705 45.810 45.100 0.009 0.000 0.789 291 G HN 1.630 nan 8.290 nan 0.000 0.536 292 G N -0.577 108.229 108.800 0.011 0.000 2.205 292 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.180 292 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.180 292 G C 0.005 174.913 174.900 0.014 0.000 1.004 292 G CA 0.149 45.255 45.100 0.010 0.000 0.670 292 G HN 0.511 nan 8.290 nan 0.000 0.496 293 E N 1.275 121.486 120.200 0.018 0.000 2.328 293 E HA 0.502 4.852 4.350 -0.001 0.000 0.265 293 E C 1.296 177.909 176.600 0.021 0.000 1.057 293 E CA 0.187 56.601 56.400 0.023 0.000 0.916 293 E CB 0.444 30.164 29.700 0.033 0.000 0.993 293 E HN 0.434 nan 8.360 nan 0.000 0.446 294 K N 3.347 123.758 120.400 0.018 0.000 2.352 294 K HA 0.171 4.491 4.320 -0.001 0.000 0.194 294 K C 1.547 178.155 176.600 0.014 0.000 1.038 294 K CA 0.587 56.882 56.287 0.013 0.000 1.023 294 K CB 0.427 32.933 32.500 0.009 0.000 0.840 294 K HN 0.476 nan 8.250 nan 0.000 0.519 295 A N 1.659 124.493 122.820 0.023 0.000 2.019 295 A HA -0.057 4.263 4.320 -0.001 0.000 0.219 295 A C 1.155 178.756 177.584 0.028 0.000 1.164 295 A CA 0.731 52.785 52.037 0.028 0.000 0.644 295 A CB -0.489 18.534 19.000 0.039 0.000 0.805 295 A HN 0.178 nan 8.150 nan 0.000 0.449 296 I N 1.572 122.161 120.570 0.031 0.000 2.311 296 I HA 0.019 4.188 4.170 -0.001 0.000 0.297 296 I C 0.769 176.885 176.117 -0.002 0.000 1.131 296 I CA -0.263 61.055 61.300 0.031 0.000 1.289 296 I CB 0.676 38.709 38.000 0.055 0.000 1.446 296 I HN 0.402 nan 8.210 nan 0.000 0.524 297 I N 2.253 122.803 120.570 -0.034 0.000 3.860 297 I HA 0.482 4.652 4.170 -0.001 0.000 0.319 297 I C 0.875 176.926 176.117 -0.110 0.000 1.279 297 I CA -0.107 61.152 61.300 -0.069 0.000 1.220 297 I CB -0.271 37.676 38.000 -0.087 0.000 1.027 297 I HN 0.387 nan 8.210 nan 0.000 0.428 298 G N 0.213 108.946 108.800 -0.112 0.000 2.601 298 G HA2 0.647 4.606 3.960 -0.001 0.000 0.291 298 G HA3 0.647 4.606 3.960 -0.001 0.000 0.291 298 G C -1.501 173.321 174.900 -0.131 0.000 1.456 298 G CA -0.087 44.920 45.100 -0.156 0.000 0.804 298 G HN 0.502 nan 8.290 nan 0.000 0.499 299 V N -2.198 117.581 119.914 -0.226 0.000 3.114 299 V HA 0.914 5.034 4.120 -0.001 0.000 0.308 299 V C -0.580 175.259 176.094 -0.425 0.000 1.168 299 V CA -1.138 60.955 62.300 -0.345 0.000 1.015 299 V CB 2.001 33.471 31.823 -0.589 0.000 1.050 299 V HN 1.102 nan 8.190 nan 0.000 0.433 300 M N 2.895 122.222 119.600 -0.456 0.000 2.326 300 M HA 0.846 5.326 4.480 -0.001 0.000 0.306 300 M C -2.110 173.959 176.300 -0.385 0.000 1.054 300 M CA -0.547 54.559 55.300 -0.324 0.000 0.922 300 M CB 2.033 34.568 32.600 -0.108 0.000 1.632 300 M HN 0.715 nan 8.290 nan 0.000 0.436 301 V N 3.768 123.505 119.914 -0.296 0.000 2.760 301 V HA 0.392 4.512 4.120 -0.001 0.000 0.309 301 V C -0.898 175.110 176.094 -0.144 0.000 1.077 301 V CA -0.780 61.392 62.300 -0.213 0.000 0.910 301 V CB 2.242 33.934 31.823 -0.219 0.000 1.008 301 V HN 0.819 nan 8.190 nan 0.000 0.424 302 E N 2.450 122.582 120.200 -0.114 0.000 2.046 302 E HA 0.509 4.859 4.350 -0.001 0.000 0.279 302 E C -0.488 176.065 176.600 -0.079 0.000 0.989 302 E CA -0.021 56.295 56.400 -0.139 0.000 0.798 302 E CB 1.610 31.206 29.700 -0.172 0.000 1.086 302 E HN 0.608 nan 8.360 nan 0.000 0.399 303 S N 3.293 118.935 115.700 -0.095 0.000 2.548 303 S HA 0.472 4.941 4.470 -0.001 0.000 0.286 303 S C -1.234 173.319 174.600 -0.078 0.000 1.098 303 S CA -0.632 57.574 58.200 0.010 0.000 0.930 303 S CB 1.468 64.744 63.200 0.127 0.000 1.070 303 S HN 0.533 nan 8.310 nan 0.000 0.480 304 H N 2.030 121.132 119.070 0.053 0.000 2.942 304 H HA 0.498 5.053 4.556 -0.001 0.000 0.316 304 H C 0.724 176.240 175.328 0.312 0.000 1.323 304 H CA -0.555 55.494 56.048 0.002 0.000 1.144 304 H CB 1.135 30.829 29.762 -0.114 0.000 1.866 304 H HN 0.599 nan 8.280 nan 0.000 0.545 305 L N 0.235 121.829 121.223 0.619 0.000 2.017 305 L HA -0.017 4.323 4.340 -0.001 0.000 0.208 305 L C 0.442 177.454 176.870 0.237 0.000 1.073 305 L CA 1.104 56.179 54.840 0.392 0.000 0.745 305 L CB -0.036 42.132 42.059 0.182 0.000 0.894 305 L HN 0.065 nan 8.230 nan 0.000 0.432 306 V N 0.104 120.058 119.914 0.066 0.000 2.513 306 V HA 0.146 4.265 4.120 -0.001 0.000 0.299 306 V C 0.080 176.138 176.094 -0.060 0.000 1.035 306 V CA -1.016 61.286 62.300 0.004 0.000 0.889 306 V CB 1.641 33.427 31.823 -0.062 0.000 0.988 306 V HN 0.286 nan 8.190 nan 0.000 0.440 307 E N 3.476 123.632 120.200 -0.073 0.000 2.391 307 E HA 0.556 4.905 4.350 -0.001 0.000 0.255 307 E C 0.603 176.917 176.600 -0.475 0.000 1.187 307 E CA 0.250 56.493 56.400 -0.262 0.000 0.941 307 E CB 0.617 30.234 29.700 -0.140 0.000 1.010 307 E HN 1.225 nan 8.360 nan 0.000 0.458 308 G N 1.139 109.315 108.800 -1.040 0.000 2.593 308 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.237 308 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.237 308 G C -0.706 173.943 174.900 -0.419 0.000 1.312 308 G CA 0.009 44.605 45.100 -0.841 0.000 0.896 308 G HN 1.258 nan 8.290 nan 0.000 0.574 309 N N -0.615 117.940 118.700 -0.242 0.000 2.934 309 N HA 0.626 5.365 4.740 -0.001 0.000 0.253 309 N C -0.737 174.697 175.510 -0.127 0.000 1.466 309 N CA 0.054 53.005 53.050 -0.165 0.000 0.858 309 N CB 1.144 39.561 38.487 -0.117 0.000 1.459 309 N HN 1.515 nan 8.380 nan 0.000 0.532 310 Q N -1.369 118.353 119.800 -0.131 0.000 2.511 310 Q HA 0.686 5.026 4.340 -0.001 0.000 0.289 310 Q C -1.504 174.418 176.000 -0.130 0.000 1.021 310 Q CA -0.973 54.758 55.803 -0.119 0.000 0.785 310 Q CB 1.677 30.337 28.738 -0.132 0.000 1.472 310 Q HN 0.739 nan 8.270 nan 0.000 0.411 311 S N 0.593 116.227 115.700 -0.109 0.000 2.565 311 S HA 0.457 4.926 4.470 -0.001 0.000 0.290 311 S C 0.532 175.047 174.600 -0.141 0.000 1.150 311 S CA -0.886 57.247 58.200 -0.110 0.000 1.058 311 S CB 1.035 64.194 63.200 -0.068 0.000 1.032 311 S HN 0.711 nan 8.310 nan 0.000 0.510 312 L N 0.570 121.693 121.223 -0.166 0.000 2.249 312 L HA 0.089 4.429 4.340 -0.001 0.000 0.207 312 L C 1.817 178.614 176.870 -0.122 0.000 1.090 312 L CA 0.610 55.336 54.840 -0.191 0.000 0.802 312 L CB -0.480 41.415 42.059 -0.273 0.000 0.947 312 L HN 0.644 nan 8.230 nan 0.000 0.453 313 E N -0.415 119.733 120.200 -0.086 0.000 2.483 313 E HA -0.228 4.122 4.350 -0.001 0.000 0.205 313 E C 2.092 178.663 176.600 -0.048 0.000 1.075 313 E CA 0.978 57.346 56.400 -0.053 0.000 0.889 313 E CB -0.255 29.425 29.700 -0.032 0.000 0.816 313 E HN 0.248 nan 8.360 nan 0.000 0.567 314 S N -1.903 113.761 115.700 -0.059 0.000 2.427 314 S HA 0.142 4.611 4.470 -0.001 0.000 0.224 314 S C 1.760 176.332 174.600 -0.048 0.000 1.047 314 S CA 1.079 59.249 58.200 -0.048 0.000 0.953 314 S CB -0.042 63.128 63.200 -0.051 0.000 0.824 314 S HN 0.415 nan 8.310 nan 0.000 0.502 315 G N 0.930 109.692 108.800 -0.063 0.000 2.253 315 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.251 315 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.251 315 G C 0.011 174.881 174.900 -0.050 0.000 0.998 315 G CA 0.459 45.524 45.100 -0.057 0.000 0.621 315 G HN 0.536 nan 8.290 nan 0.000 0.524 316 E N 1.520 121.692 120.200 -0.047 0.000 2.391 316 E HA 0.397 4.747 4.350 -0.001 0.000 0.255 316 E C -1.692 174.884 176.600 -0.040 0.000 1.187 316 E CA -1.343 55.034 56.400 -0.038 0.000 0.941 316 E CB -0.264 29.416 29.700 -0.033 0.000 1.010 316 E HN 0.247 nan 8.360 nan 0.000 0.458 317 P HA 0.030 nan 4.420 nan 0.000 0.270 317 P C -0.488 176.796 177.300 -0.027 0.000 1.221 317 P CA 0.322 63.410 63.100 -0.021 0.000 0.788 317 P CB 0.389 32.082 31.700 -0.011 0.000 0.904 318 L N 0.122 121.337 121.223 -0.013 0.000 2.322 318 L HA 0.649 4.988 4.340 -0.001 0.000 0.269 318 L C 0.362 177.240 176.870 0.013 0.000 1.012 318 L CA -1.371 53.456 54.840 -0.021 0.000 0.815 318 L CB 1.499 43.542 42.059 -0.028 0.000 1.295 318 L HN 0.331 nan 8.230 nan 0.000 0.438 319 A N 0.933 123.750 122.820 -0.006 0.000 2.425 319 A HA 0.209 4.528 4.320 -0.001 0.000 0.249 319 A C -0.886 176.728 177.584 0.050 0.000 1.084 319 A CA 0.007 52.054 52.037 0.017 0.000 0.781 319 A CB -0.010 18.976 19.000 -0.023 0.000 1.019 319 A HN 0.555 nan 8.150 nan 0.000 0.490 320 Y N 1.736 122.010 120.300 -0.043 0.000 2.411 320 Y HA 0.380 4.929 4.550 -0.001 0.000 0.333 320 Y C 1.386 177.228 175.900 -0.097 0.000 1.186 320 Y CA 0.843 58.912 58.100 -0.052 0.000 1.381 320 Y CB 0.590 39.025 38.460 -0.042 0.000 1.273 320 Y HN 1.445 nan 8.280 nan 0.000 0.546 321 G N 4.101 112.381 108.800 -0.868 0.000 2.203 321 G HA2 -0.350 3.609 3.960 -0.001 0.000 0.263 321 G HA3 -0.350 3.609 3.960 -0.001 0.000 0.263 321 G C -0.003 174.408 174.900 -0.815 0.000 1.012 321 G CA 0.603 45.204 45.100 -0.830 0.000 0.749 321 G HN 0.736 nan 8.290 nan 0.000 0.512 322 K N 0.311 120.382 120.400 -0.549 0.000 2.292 322 K HA 0.586 4.906 4.320 -0.001 0.000 0.257 322 K C 0.540 176.963 176.600 -0.295 0.000 0.940 322 K CA -0.184 55.853 56.287 -0.415 0.000 0.811 322 K CB 1.309 33.675 32.500 -0.222 0.000 1.120 322 K HN 0.171 nan 8.250 nan 0.000 0.428 323 S N 3.565 119.140 115.700 -0.208 0.000 2.558 323 S HA 0.039 4.509 4.470 -0.001 0.000 0.288 323 S C 1.121 175.621 174.600 -0.168 0.000 1.318 323 S CA -0.410 57.762 58.200 -0.047 0.000 1.056 323 S CB 0.077 63.286 63.200 0.016 0.000 0.853 323 S HN 0.611 nan 8.310 nan 0.000 0.505 324 I N 1.919 122.340 120.570 -0.249 0.000 3.928 324 I HA 0.240 4.410 4.170 -0.001 0.000 0.335 324 I C 0.782 176.824 176.117 -0.125 0.000 1.325 324 I CA -0.291 60.821 61.300 -0.313 0.000 1.107 324 I CB -0.385 37.241 38.000 -0.624 0.000 1.014 324 I HN 0.639 nan 8.210 nan 0.000 0.400 325 T N -2.316 112.230 114.554 -0.014 0.000 2.121 325 T HA 0.309 4.658 4.350 -0.001 0.000 0.197 325 T C 0.095 174.812 174.700 0.027 0.000 0.822 325 T CA -0.399 61.741 62.100 0.068 0.000 1.195 325 T CB -0.209 68.760 68.868 0.168 0.000 3.009 325 T HN -0.021 nan 8.240 nan 0.000 0.449 326 D N 1.900 122.322 120.400 0.037 0.000 2.382 326 D HA 0.500 5.140 4.640 -0.001 0.000 0.240 326 D C 0.159 176.434 176.300 -0.043 0.000 1.146 326 D CA 0.036 54.037 54.000 0.000 0.000 0.897 326 D CB 0.702 41.487 40.800 -0.026 0.000 1.197 326 D HN 0.808 nan 8.370 nan 0.000 0.432 327 A N 1.347 124.141 122.820 -0.043 0.000 2.462 327 A HA 0.346 4.665 4.320 -0.001 0.000 0.243 327 A C -0.031 177.481 177.584 -0.120 0.000 1.076 327 A CA -0.261 51.703 52.037 -0.121 0.000 0.773 327 A CB 0.172 19.147 19.000 -0.042 0.000 1.010 327 A HN 0.634 nan 8.150 nan 0.000 0.493 328 C N 1.495 120.651 119.300 -0.240 0.000 2.719 328 C HA 0.667 5.127 4.460 -0.001 0.000 0.327 328 C C 0.495 175.401 174.990 -0.140 0.000 1.238 328 C CA -0.661 58.287 59.018 -0.116 0.000 1.727 328 C CB 0.930 28.637 27.740 -0.054 0.000 2.256 328 C HN 0.850 nan 8.230 nan 0.000 0.489 329 I N 1.039 121.664 120.570 0.091 0.000 2.823 329 I HA 0.645 4.814 4.170 -0.001 0.000 0.290 329 I C 0.674 176.851 176.117 0.099 0.000 1.091 329 I CA 0.158 61.575 61.300 0.195 0.000 1.365 329 I CB 0.112 38.218 38.000 0.177 0.000 1.427 329 I HN 0.709 nan 8.210 nan 0.000 0.583 330 G N 2.518 111.388 108.800 0.117 0.000 2.563 330 G HA2 0.049 4.008 3.960 -0.001 0.000 0.283 330 G HA3 0.049 4.008 3.960 -0.001 0.000 0.283 330 G C 0.147 175.157 174.900 0.182 0.000 1.309 330 G CA -0.679 44.511 45.100 0.151 0.000 1.022 330 G HN 1.024 nan 8.290 nan 0.000 0.501 331 W N -0.401 120.956 121.300 0.095 0.000 2.363 331 W HA -0.102 4.558 4.660 -0.001 0.000 0.296 331 W C 2.098 178.643 176.519 0.044 0.000 1.212 331 W CA 1.749 59.137 57.345 0.072 0.000 1.260 331 W CB 0.148 29.639 29.460 0.052 0.000 1.131 331 W HN 0.700 nan 8.180 nan 0.000 0.530 332 E N 1.019 121.241 120.200 0.037 0.000 2.038 332 E HA -0.239 4.110 4.350 -0.001 0.000 0.195 332 E C 1.653 178.173 176.600 -0.134 0.000 1.000 332 E CA 2.211 58.588 56.400 -0.039 0.000 0.803 332 E CB -0.659 29.070 29.700 0.048 0.000 0.750 332 E HN 0.018 nan 8.360 nan 0.000 0.448 333 D N -0.927 119.428 120.400 -0.074 0.000 2.178 333 D HA -0.098 4.541 4.640 -0.001 0.000 0.201 333 D C 1.793 177.998 176.300 -0.159 0.000 0.980 333 D CA 1.524 55.480 54.000 -0.073 0.000 0.842 333 D CB -0.392 40.414 40.800 0.010 0.000 0.948 333 D HN 0.235 nan 8.370 nan 0.000 0.472 334 T N 0.504 114.895 114.554 -0.272 0.000 2.746 334 T HA -0.163 4.187 4.350 -0.001 0.000 0.267 334 T C 1.558 175.943 174.700 -0.524 0.000 1.039 334 T CA 1.248 63.108 62.100 -0.401 0.000 1.142 334 T CB -0.195 68.337 68.868 -0.560 0.000 0.866 334 T HN 0.212 nan 8.240 nan 0.000 0.444 335 D N 1.204 121.182 120.400 -0.702 0.000 2.117 335 D HA -0.098 4.541 4.640 -0.001 0.000 0.197 335 D C 2.301 178.452 176.300 -0.250 0.000 0.987 335 D CA 1.346 55.046 54.000 -0.500 0.000 0.829 335 D CB -0.087 40.463 40.800 -0.417 0.000 0.961 335 D HN 0.378 nan 8.370 nan 0.000 0.460 336 A N 1.072 123.774 122.820 -0.195 0.000 1.930 336 A HA -0.086 4.233 4.320 -0.001 0.000 0.217 336 A C 2.457 179.985 177.584 -0.094 0.000 1.175 336 A CA 1.033 53.002 52.037 -0.113 0.000 0.627 336 A CB -0.780 18.170 19.000 -0.084 0.000 0.815 336 A HN 0.408 nan 8.150 nan 0.000 0.443 337 L N -0.632 120.528 121.223 -0.105 0.000 2.056 337 L HA -0.082 4.257 4.340 -0.001 0.000 0.207 337 L C 2.249 179.087 176.870 -0.054 0.000 1.078 337 L CA 1.337 56.144 54.840 -0.055 0.000 0.749 337 L CB -0.207 41.833 42.059 -0.032 0.000 0.901 337 L HN 0.382 nan 8.230 nan 0.000 0.433 338 L N -0.502 120.658 121.223 -0.106 0.000 2.141 338 L HA -0.153 4.186 4.340 -0.001 0.000 0.209 338 L C 2.786 179.617 176.870 -0.064 0.000 1.094 338 L CA 1.122 55.906 54.840 -0.093 0.000 0.763 338 L CB -0.419 41.562 42.059 -0.130 0.000 0.908 338 L HN 0.235 nan 8.230 nan 0.000 0.437 339 R N -0.583 119.876 120.500 -0.068 0.000 2.115 339 R HA -0.128 4.212 4.340 -0.001 0.000 0.226 339 R C 2.302 178.583 176.300 -0.032 0.000 1.100 339 R CA 0.955 57.028 56.100 -0.046 0.000 0.980 339 R CB -0.172 30.100 30.300 -0.047 0.000 0.875 339 R HN 0.451 nan 8.270 nan 0.000 0.445 340 Q N 0.553 120.335 119.800 -0.030 0.000 2.050 340 Q HA -0.135 4.204 4.340 -0.001 0.000 0.202 340 Q C 2.216 178.213 176.000 -0.005 0.000 0.980 340 Q CA 1.318 57.110 55.803 -0.018 0.000 0.840 340 Q CB -0.096 28.632 28.738 -0.017 0.000 0.898 340 Q HN 0.334 nan 8.270 nan 0.000 0.424 341 L N 0.068 121.293 121.223 0.004 0.000 2.042 341 L HA -0.225 4.114 4.340 -0.001 0.000 0.210 341 L C 2.536 179.404 176.870 -0.004 0.000 1.076 341 L CA 1.057 55.905 54.840 0.013 0.000 0.749 341 L CB -0.673 41.391 42.059 0.008 0.000 0.893 341 L HN 0.232 nan 8.230 nan 0.000 0.432 342 A N 0.355 123.166 122.820 -0.016 0.000 1.883 342 A HA -0.225 4.094 4.320 -0.001 0.000 0.217 342 A C 2.090 179.667 177.584 -0.011 0.000 1.186 342 A CA 1.996 54.023 52.037 -0.017 0.000 0.624 342 A CB -0.634 18.354 19.000 -0.021 0.000 0.822 342 A HN 0.461 nan 8.150 nan 0.000 0.444 343 N N 0.514 119.207 118.700 -0.011 0.000 2.104 343 N HA -0.150 4.590 4.740 -0.001 0.000 0.190 343 N C 1.947 177.454 175.510 -0.006 0.000 1.024 343 N CA 1.627 54.672 53.050 -0.009 0.000 0.853 343 N CB -0.649 37.831 38.487 -0.011 0.000 1.008 343 N HN 0.484 nan 8.380 nan 0.000 0.424 344 A N 1.110 123.928 122.820 -0.003 0.000 1.883 344 A HA -0.111 4.209 4.320 -0.001 0.000 0.217 344 A C 2.581 180.166 177.584 0.002 0.000 1.186 344 A CA 1.516 53.554 52.037 0.002 0.000 0.624 344 A CB -0.883 18.122 19.000 0.009 0.000 0.822 344 A HN 0.117 nan 8.150 nan 0.000 0.444 345 V N 0.131 120.045 119.914 0.000 0.000 2.332 345 V HA -0.299 3.821 4.120 -0.001 0.000 0.248 345 V C 2.468 178.561 176.094 -0.003 0.000 1.055 345 V CA 2.420 64.719 62.300 -0.002 0.000 1.038 345 V CB -0.699 31.120 31.823 -0.007 0.000 0.651 345 V HN 0.555 nan 8.190 nan 0.000 0.450 346 K N 0.243 120.640 120.400 -0.004 0.000 2.057 346 K HA -0.113 4.207 4.320 -0.001 0.000 0.207 346 K C 2.310 178.908 176.600 -0.002 0.000 1.049 346 K CA 1.456 57.741 56.287 -0.004 0.000 0.931 346 K CB -0.441 32.056 32.500 -0.005 0.000 0.714 346 K HN 0.468 nan 8.250 nan 0.000 0.440 347 A N 1.546 124.365 122.820 -0.002 0.000 1.972 347 A HA -0.185 4.135 4.320 -0.001 0.000 0.219 347 A C 2.041 179.625 177.584 0.001 0.000 1.169 347 A CA 1.376 53.413 52.037 -0.001 0.000 0.635 347 A CB -0.446 18.553 19.000 -0.001 0.000 0.810 347 A HN 0.237 nan 8.150 nan 0.000 0.446 348 R N -0.655 119.846 120.500 0.001 0.000 2.235 348 R HA -0.024 4.316 4.340 -0.001 0.000 0.213 348 R C 2.067 178.368 176.300 0.002 0.000 1.059 348 R CA 1.027 57.128 56.100 0.003 0.000 0.997 348 R CB -0.115 30.188 30.300 0.004 0.000 0.884 348 R HN 0.547 nan 8.270 nan 0.000 0.462 349 R N -0.915 119.585 120.500 0.000 0.000 2.090 349 R HA 0.210 4.550 4.340 -0.001 0.000 0.219 349 R C 0.570 176.870 176.300 0.000 0.000 1.100 349 R CA 0.726 56.826 56.100 0.000 0.000 0.991 349 R CB 0.472 30.771 30.300 -0.001 0.000 0.893 349 R HN 0.330 nan 8.270 nan 0.000 0.443 350 G N 0.000 108.800 108.800 -0.000 0.000 5.446 350 G HA2 0.000 3.960 3.960 -0.001 0.000 0.244 350 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 350 G CA 0.000 45.100 45.100 -0.000 0.000 0.502 350 G HN 0.000 nan 8.290 nan 0.000 0.925