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 2p2g_1_D DATA FIRST_RESID 1 DATA SEQUENCE VIRHFLRDDD LSPAEQAEVL ELAAELKKDP VSRRPLQGPR GVAVIFDKNS DATA SEQUENCE TRTRFSFELG IAQLGGHAVV VDSGSTQLGR DETLQDTAKV LSRYVDAIVW DATA SEQUENCE RTFGQERLDA MASVATVPVI NALSDEFHPC QVLADLQTIA ERKGALRGLR DATA SEQUENCE LSYFGDGANN MAHSLLLGGV TAGIHVTVAA PEGFLPDPSV RAAAERRAQD DATA SEQUENCE TGASVTVTAD AHAAAAGADV LVTDTWXXXX XXXXXXXXVK PFRPFQLNSR DATA SEQUENCE LLALADSDAI VLHCLPAHRG DEITDAVMDG PASAVWDEAE NRLHAQKALL DATA SEQUENCE VWLLERS 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 1 V HA 0.000 nan 4.120 nan 0.000 0.244 1 V C 0.000 176.051 176.094 -0.072 0.000 1.182 1 V CA 0.000 62.270 62.300 -0.051 0.000 1.235 1 V CB 0.000 31.805 31.823 -0.029 0.000 1.184 2 I N 2.092 122.599 120.570 -0.106 0.000 7.699 2 I HA -0.160 4.010 4.170 -0.001 0.000 0.126 2 I C 0.176 176.128 176.117 -0.274 0.000 1.644 2 I CA 0.931 62.122 61.300 -0.182 0.000 2.307 2 I CB -0.246 37.662 38.000 -0.152 0.000 3.328 2 I HN 0.779 nan 8.210 nan 0.000 0.244 3 R N 5.909 126.242 120.500 -0.277 0.000 2.514 3 R HA 0.637 4.977 4.340 -0.001 0.000 0.301 3 R C -0.305 175.849 176.300 -0.243 0.000 0.962 3 R CA -0.904 55.091 56.100 -0.174 0.000 0.882 3 R CB 1.667 31.991 30.300 0.040 0.000 1.143 3 R HN 0.463 nan 8.270 nan 0.000 0.452 4 H N 1.055 120.225 119.070 0.166 0.000 2.737 4 H HA 0.426 4.981 4.556 -0.001 0.000 0.358 4 H C -0.911 174.582 175.328 0.274 0.000 1.187 4 H CA -0.696 55.460 56.048 0.180 0.000 1.221 4 H CB 2.085 31.916 29.762 0.115 0.000 1.799 4 H HN 0.386 nan 8.280 nan 0.000 0.568 5 F N 2.450 122.521 119.950 0.202 0.000 2.809 5 F HA 0.264 4.791 4.527 -0.001 0.000 0.369 5 F C -0.575 175.264 175.800 0.066 0.000 1.225 5 F CA -0.381 57.682 58.000 0.105 0.000 1.201 5 F CB -0.141 38.920 39.000 0.102 0.000 1.527 5 F HN 0.338 nan 8.300 nan 0.000 0.565 6 L N 3.855 124.950 121.223 -0.212 0.000 2.609 6 L HA 0.364 4.703 4.340 -0.001 0.000 0.230 6 L C 0.310 176.922 176.870 -0.431 0.000 1.087 6 L CA 0.054 54.755 54.840 -0.232 0.000 0.874 6 L CB 0.004 41.997 42.059 -0.110 0.000 1.114 6 L HN 0.410 nan 8.230 nan 0.000 0.488 7 R N -2.160 117.945 120.500 -0.658 0.000 2.716 7 R HA 0.284 4.623 4.340 -0.001 0.000 0.271 7 R C -0.842 175.028 176.300 -0.716 0.000 1.028 7 R CA -0.775 54.809 56.100 -0.861 0.000 0.883 7 R CB 0.700 30.248 30.300 -1.252 0.000 1.250 7 R HN -0.285 nan 8.270 nan 0.000 0.465 8 D N 0.594 120.678 120.400 -0.527 0.000 2.178 8 D HA -0.156 4.483 4.640 -0.001 0.000 0.201 8 D C 0.684 176.929 176.300 -0.091 0.000 0.980 8 D CA 1.834 55.700 54.000 -0.223 0.000 0.842 8 D CB -0.064 40.682 40.800 -0.089 0.000 0.948 8 D HN 0.687 nan 8.370 nan 0.000 0.472 9 D N -0.169 120.133 120.400 -0.163 0.000 2.349 9 D HA -0.076 4.564 4.640 -0.001 0.000 0.224 9 D C 0.781 177.053 176.300 -0.047 0.000 1.029 9 D CA 0.179 54.129 54.000 -0.085 0.000 0.879 9 D CB -0.174 40.570 40.800 -0.093 0.000 0.906 9 D HN -0.009 nan 8.370 nan 0.000 0.528 10 D N 0.399 120.776 120.400 -0.040 0.000 2.178 10 D HA -0.018 4.622 4.640 -0.001 0.000 0.201 10 D C 0.650 177.016 176.300 0.110 0.000 0.980 10 D CA 0.532 54.565 54.000 0.055 0.000 0.842 10 D CB 0.111 40.977 40.800 0.111 0.000 0.948 10 D HN 0.332 nan 8.370 nan 0.000 0.472 11 L N 1.099 122.387 121.223 0.108 0.000 2.326 11 L HA 0.176 4.516 4.340 -0.001 0.000 0.278 11 L C 0.979 177.835 176.870 -0.024 0.000 1.092 11 L CA -0.608 54.219 54.840 -0.022 0.000 0.810 11 L CB 1.287 43.246 42.059 -0.166 0.000 1.153 11 L HN -0.084 nan 8.230 nan 0.000 0.439 12 S N 2.362 118.051 115.700 -0.019 0.000 2.614 12 S HA 0.286 4.755 4.470 -0.001 0.000 0.265 12 S C -1.876 172.698 174.600 -0.043 0.000 1.303 12 S CA -1.115 57.078 58.200 -0.012 0.000 1.000 12 S CB 1.123 64.334 63.200 0.018 0.000 0.935 12 S HN 0.398 nan 8.310 nan 0.000 0.551 13 P HA -0.140 nan 4.420 nan 0.000 0.216 13 P C 1.662 178.932 177.300 -0.050 0.000 1.157 13 P CA 2.240 65.313 63.100 -0.044 0.000 0.880 13 P CB -0.322 31.359 31.700 -0.031 0.000 0.791 14 A N -0.185 122.620 122.820 -0.026 0.000 1.883 14 A HA -0.263 4.057 4.320 -0.001 0.000 0.217 14 A C 2.153 179.718 177.584 -0.031 0.000 1.186 14 A CA 1.941 53.971 52.037 -0.012 0.000 0.624 14 A CB -1.325 17.687 19.000 0.019 0.000 0.822 14 A HN 0.210 nan 8.150 nan 0.000 0.444 15 E N -0.897 119.275 120.200 -0.047 0.000 2.110 15 E HA -0.225 4.125 4.350 -0.001 0.000 0.193 15 E C 2.256 178.616 176.600 -0.400 0.000 0.988 15 E CA 1.146 57.451 56.400 -0.157 0.000 0.804 15 E CB -0.154 29.460 29.700 -0.142 0.000 0.745 15 E HN 0.758 nan 8.360 nan 0.000 0.458 16 Q N 0.344 119.973 119.800 -0.286 0.000 2.167 16 Q HA -0.147 4.193 4.340 -0.001 0.000 0.202 16 Q C 2.127 177.999 176.000 -0.214 0.000 0.970 16 Q CA 1.168 56.803 55.803 -0.279 0.000 0.855 16 Q CB -0.041 28.599 28.738 -0.163 0.000 0.911 16 Q HN 0.246 nan 8.270 nan 0.000 0.438 17 A N 0.884 123.618 122.820 -0.142 0.000 1.933 17 A HA -0.211 4.108 4.320 -0.001 0.000 0.218 17 A C 1.745 179.272 177.584 -0.094 0.000 1.175 17 A CA 1.561 53.541 52.037 -0.094 0.000 0.628 17 A CB -0.417 18.551 19.000 -0.053 0.000 0.814 17 A HN 0.480 nan 8.150 nan 0.000 0.444 18 E N -0.380 119.757 120.200 -0.105 0.000 2.106 18 E HA -0.107 4.242 4.350 -0.001 0.000 0.192 18 E C 1.970 178.507 176.600 -0.105 0.000 0.984 18 E CA 1.240 57.613 56.400 -0.046 0.000 0.806 18 E CB -0.209 29.547 29.700 0.094 0.000 0.750 18 E HN 0.441 nan 8.360 nan 0.000 0.458 19 V N 1.393 121.126 119.914 -0.301 0.000 2.307 19 V HA -0.237 3.883 4.120 -0.001 0.000 0.245 19 V C 2.288 178.291 176.094 -0.152 0.000 1.045 19 V CA 1.390 63.517 62.300 -0.289 0.000 1.024 19 V CB -0.445 31.081 31.823 -0.495 0.000 0.651 19 V HN 0.259 nan 8.190 nan 0.000 0.449 20 L N -0.209 120.929 121.223 -0.143 0.000 2.093 20 L HA -0.159 4.180 4.340 -0.001 0.000 0.208 20 L C 2.640 179.479 176.870 -0.052 0.000 1.085 20 L CA 1.700 56.488 54.840 -0.087 0.000 0.755 20 L CB -0.553 41.457 42.059 -0.082 0.000 0.904 20 L HN 0.419 nan 8.230 nan 0.000 0.435 21 E N 0.500 120.673 120.200 -0.045 0.000 2.077 21 E HA -0.257 4.092 4.350 -0.001 0.000 0.193 21 E C 2.201 178.793 176.600 -0.013 0.000 0.989 21 E CA 1.146 57.532 56.400 -0.023 0.000 0.800 21 E CB 0.039 29.731 29.700 -0.013 0.000 0.746 21 E HN 0.276 nan 8.360 nan 0.000 0.452 22 L N 0.833 122.052 121.223 -0.006 0.000 2.093 22 L HA -0.036 4.304 4.340 -0.001 0.000 0.208 22 L C 2.211 179.083 176.870 0.002 0.000 1.085 22 L CA 2.009 56.856 54.840 0.011 0.000 0.755 22 L CB -0.673 41.412 42.059 0.043 0.000 0.904 22 L HN 0.105 nan 8.230 nan 0.000 0.435 23 A N -0.417 122.398 122.820 -0.010 0.000 1.978 23 A HA -0.110 4.210 4.320 -0.001 0.000 0.220 23 A C 2.443 180.023 177.584 -0.008 0.000 1.170 23 A CA 1.738 53.778 52.037 0.004 0.000 0.636 23 A CB -1.045 17.952 19.000 -0.005 0.000 0.810 23 A HN 0.574 nan 8.150 nan 0.000 0.448 24 A N -0.320 122.486 122.820 -0.022 0.000 1.898 24 A HA -0.117 4.203 4.320 -0.001 0.000 0.216 24 A C 1.904 179.457 177.584 -0.052 0.000 1.181 24 A CA 1.582 53.596 52.037 -0.040 0.000 0.620 24 A CB -0.442 18.541 19.000 -0.028 0.000 0.819 24 A HN 0.611 nan 8.150 nan 0.000 0.442 25 E N -0.066 120.115 120.200 -0.032 0.000 2.077 25 E HA -0.116 4.234 4.350 -0.001 0.000 0.193 25 E C 1.862 178.437 176.600 -0.042 0.000 0.989 25 E CA 1.108 57.491 56.400 -0.029 0.000 0.800 25 E CB -0.266 29.428 29.700 -0.010 0.000 0.746 25 E HN 0.595 nan 8.360 nan 0.000 0.452 26 L N 0.838 122.041 121.223 -0.033 0.000 2.191 26 L HA -0.174 4.166 4.340 -0.001 0.000 0.212 26 L C 2.505 179.301 176.870 -0.122 0.000 1.103 26 L CA 0.993 55.815 54.840 -0.031 0.000 0.769 26 L CB -0.258 41.815 42.059 0.023 0.000 0.908 26 L HN 0.070 nan 8.230 nan 0.000 0.438 27 K N 0.420 120.681 120.400 -0.233 0.000 2.103 27 K HA -0.168 4.151 4.320 -0.001 0.000 0.204 27 K C 2.246 178.668 176.600 -0.297 0.000 1.052 27 K CA 1.015 56.981 56.287 -0.534 0.000 0.945 27 K CB 0.134 32.340 32.500 -0.489 0.000 0.722 27 K HN 0.065 nan 8.250 nan 0.000 0.443 28 K N 0.091 120.397 120.400 -0.157 0.000 2.103 28 K HA -0.073 4.247 4.320 -0.001 0.000 0.204 28 K C -0.369 176.190 176.600 -0.067 0.000 1.052 28 K CA 1.102 57.333 56.287 -0.093 0.000 0.945 28 K CB 0.300 32.764 32.500 -0.059 0.000 0.722 28 K HN 0.155 nan 8.250 nan 0.000 0.443 29 D N 0.130 120.496 120.400 -0.058 0.000 2.400 29 D HA 0.149 4.788 4.640 -0.001 0.000 0.272 29 D C -2.207 174.085 176.300 -0.012 0.000 1.220 29 D CA -1.466 52.518 54.000 -0.027 0.000 0.897 29 D CB 1.682 42.473 40.800 -0.015 0.000 1.134 29 D HN -0.049 nan 8.370 nan 0.000 0.507 30 P HA -0.129 nan 4.420 nan 0.000 0.218 30 P C 1.329 178.654 177.300 0.041 0.000 1.148 30 P CA 0.829 63.950 63.100 0.034 0.000 0.822 30 P CB 0.368 32.102 31.700 0.056 0.000 0.784 31 V N -3.826 116.105 119.914 0.029 0.000 3.043 31 V HA 0.278 4.397 4.120 -0.001 0.000 0.357 31 V C 1.259 177.366 176.094 0.022 0.000 1.372 31 V CA 0.453 62.770 62.300 0.030 0.000 1.214 31 V CB -0.676 31.165 31.823 0.030 0.000 1.224 31 V HN 0.056 nan 8.190 nan 0.000 0.507 32 S N -0.536 115.175 115.700 0.018 0.000 2.524 32 S HA 0.334 4.804 4.470 -0.001 0.000 0.216 32 S C 0.860 175.469 174.600 0.016 0.000 0.987 32 S CA -0.325 57.883 58.200 0.014 0.000 0.909 32 S CB 0.109 63.314 63.200 0.008 0.000 0.781 32 S HN 0.543 nan 8.310 nan 0.000 0.521 33 R N 1.262 121.776 120.500 0.022 0.000 2.637 33 R HA 0.522 4.862 4.340 -0.001 0.000 0.291 33 R C -0.275 176.041 176.300 0.027 0.000 0.963 33 R CA -0.403 55.711 56.100 0.023 0.000 0.901 33 R CB 0.942 31.259 30.300 0.027 0.000 1.160 33 R HN 0.136 nan 8.270 nan 0.000 0.457 34 R N 2.168 122.682 120.500 0.023 0.000 2.635 34 R HA 0.181 4.520 4.340 -0.001 0.000 0.393 34 R C -1.908 174.406 176.300 0.023 0.000 1.070 34 R CA -1.184 54.931 56.100 0.025 0.000 1.118 34 R CB 1.212 31.525 30.300 0.021 0.000 1.341 34 R HN 0.403 nan 8.270 nan 0.000 0.628 35 P HA -0.045 nan 4.420 nan 0.000 0.226 35 P C 0.847 178.160 177.300 0.022 0.000 1.153 35 P CA 0.720 63.830 63.100 0.017 0.000 0.777 35 P CB 0.361 32.070 31.700 0.014 0.000 0.794 36 L N -0.899 120.344 121.223 0.033 0.000 2.685 36 L HA 0.220 4.560 4.340 -0.001 0.000 0.233 36 L C 1.119 178.012 176.870 0.039 0.000 1.173 36 L CA -0.358 54.505 54.840 0.039 0.000 0.961 36 L CB -0.726 41.363 42.059 0.051 0.000 1.217 36 L HN -0.092 nan 8.230 nan 0.000 0.478 37 Q N 0.595 120.414 119.800 0.031 0.000 2.310 37 Q HA 0.240 4.579 4.340 -0.001 0.000 0.315 37 Q C 0.901 176.916 176.000 0.025 0.000 1.081 37 Q CA 1.635 57.455 55.803 0.027 0.000 0.981 37 Q CB 0.579 29.329 28.738 0.020 0.000 1.184 37 Q HN 0.355 nan 8.270 nan 0.000 0.389 38 G N 3.186 112.001 108.800 0.025 0.000 3.620 38 G HA2 -0.029 3.931 3.960 -0.001 0.000 0.112 38 G HA3 -0.029 3.931 3.960 -0.001 0.000 0.112 38 G C -2.148 172.761 174.900 0.015 0.000 2.274 38 G CA -0.131 44.981 45.100 0.020 0.000 1.052 38 G HN 0.724 nan 8.290 nan 0.000 0.298 39 P HA 0.611 nan 4.420 nan 0.000 0.279 39 P C -0.648 176.681 177.300 0.049 0.000 1.239 39 P CA -0.291 62.838 63.100 0.048 0.000 0.789 39 P CB 1.103 32.852 31.700 0.082 0.000 0.933 40 R N 0.866 121.399 120.500 0.055 0.000 2.531 40 R HA 0.560 4.900 4.340 -0.001 0.000 0.273 40 R C 0.738 177.086 176.300 0.079 0.000 1.070 40 R CA -0.378 55.756 56.100 0.057 0.000 1.112 40 R CB 0.525 30.852 30.300 0.045 0.000 1.049 40 R HN 0.691 nan 8.270 nan 0.000 0.508 41 G N -0.141 108.708 108.800 0.082 0.000 2.437 41 G HA2 0.507 4.467 3.960 -0.001 0.000 0.319 41 G HA3 0.507 4.467 3.960 -0.001 0.000 0.319 41 G C -0.944 173.993 174.900 0.063 0.000 1.158 41 G CA -0.446 44.710 45.100 0.092 0.000 0.899 41 G HN 0.263 nan 8.290 nan 0.000 0.502 42 V N 0.205 120.143 119.914 0.041 0.000 2.709 42 V HA 0.674 4.793 4.120 -0.001 0.000 0.308 42 V C 0.313 176.392 176.094 -0.025 0.000 1.062 42 V CA -0.983 61.325 62.300 0.014 0.000 0.901 42 V CB 1.604 33.441 31.823 0.023 0.000 1.003 42 V HN 1.131 nan 8.190 nan 0.000 0.425 43 A N 3.792 126.582 122.820 -0.050 0.000 2.320 43 A HA 0.714 5.034 4.320 -0.001 0.000 0.287 43 A C -0.446 177.037 177.584 -0.168 0.000 1.181 43 A CA -0.304 51.675 52.037 -0.097 0.000 0.831 43 A CB 0.640 19.573 19.000 -0.111 0.000 1.102 43 A HN 0.829 nan 8.150 nan 0.000 0.513 44 V N 5.258 125.058 119.914 -0.189 0.000 2.304 44 V HA 0.322 4.442 4.120 -0.001 0.000 0.278 44 V C -0.287 175.559 176.094 -0.414 0.000 1.018 44 V CA -0.010 62.094 62.300 -0.326 0.000 0.814 44 V CB 0.367 32.060 31.823 -0.217 0.000 1.021 44 V HN 0.732 nan 8.190 nan 0.000 0.440 45 I N 4.666 124.936 120.570 -0.499 0.000 2.441 45 I HA 0.574 4.744 4.170 -0.001 0.000 0.295 45 I C -1.019 174.850 176.117 -0.414 0.000 0.994 45 I CA -0.420 60.674 61.300 -0.342 0.000 1.144 45 I CB 1.911 39.734 38.000 -0.294 0.000 1.314 45 I HN 0.373 nan 8.210 nan 0.000 0.445 46 F N 3.329 123.354 119.950 0.125 0.000 2.499 46 F HA 0.308 4.834 4.527 -0.001 0.000 0.333 46 F C 0.709 176.557 175.800 0.081 0.000 1.138 46 F CA -0.716 57.335 58.000 0.085 0.000 0.945 46 F CB 1.196 40.216 39.000 0.033 0.000 1.181 46 F HN 0.386 nan 8.300 nan 0.000 0.435 47 D N 1.044 121.537 120.400 0.156 0.000 2.317 47 D HA -0.040 4.599 4.640 -0.001 0.000 0.211 47 D C 0.567 176.919 176.300 0.088 0.000 0.966 47 D CA 1.165 55.214 54.000 0.081 0.000 0.876 47 D CB 0.233 40.946 40.800 -0.146 0.000 0.927 47 D HN 0.286 nan 8.370 nan 0.000 0.519 48 K N 0.140 120.562 120.400 0.037 0.000 2.525 48 K HA 0.245 4.565 4.320 -0.001 0.000 0.254 48 K C -1.288 175.356 176.600 0.074 0.000 0.934 48 K CA -0.558 55.782 56.287 0.089 0.000 0.802 48 K CB 1.278 33.826 32.500 0.080 0.000 1.295 48 K HN -0.245 nan 8.250 nan 0.000 0.433 49 N N 1.162 119.862 118.700 0.001 0.000 2.503 49 N HA 0.226 4.966 4.740 -0.001 0.000 0.267 49 N C -1.116 174.284 175.510 -0.183 0.000 1.214 49 N CA -0.222 52.714 53.050 -0.190 0.000 0.959 49 N CB 1.029 39.409 38.487 -0.178 0.000 1.142 49 N HN 0.471 nan 8.380 nan 0.000 0.455 50 S N 0.403 115.887 115.700 -0.361 0.000 2.511 50 S HA 0.138 4.607 4.470 -0.001 0.000 0.233 50 S C 0.584 175.110 174.600 -0.123 0.000 1.104 50 S CA -0.707 57.412 58.200 -0.135 0.000 1.129 50 S CB 0.690 63.909 63.200 0.031 0.000 1.159 50 S HN 0.536 nan 8.310 nan 0.000 0.451 51 T N 4.629 119.157 114.554 -0.042 0.000 2.665 51 T HA -0.199 4.150 4.350 -0.001 0.000 0.268 51 T C 2.138 176.969 174.700 0.218 0.000 1.035 51 T CA 2.009 64.154 62.100 0.075 0.000 1.151 51 T CB -0.264 68.665 68.868 0.101 0.000 0.862 51 T HN 0.823 nan 8.240 nan 0.000 0.438 52 R N 0.780 121.369 120.500 0.149 0.000 2.120 52 R HA -0.075 4.264 4.340 -0.001 0.000 0.234 52 R C 2.093 178.537 176.300 0.241 0.000 1.123 52 R CA 1.751 57.950 56.100 0.165 0.000 0.975 52 R CB -1.112 29.250 30.300 0.103 0.000 0.866 52 R HN 0.234 nan 8.270 nan 0.000 0.446 53 T N 0.782 115.498 114.554 0.269 0.000 2.904 53 T HA -0.036 4.313 4.350 -0.001 0.000 0.267 53 T C 1.755 176.767 174.700 0.520 0.000 1.059 53 T CA 1.121 63.474 62.100 0.421 0.000 1.137 53 T CB -0.141 69.029 68.868 0.504 0.000 0.879 53 T HN 0.350 nan 8.240 nan 0.000 0.467 54 R N 0.084 120.812 120.500 0.380 0.000 2.061 54 R HA -0.051 4.289 4.340 -0.001 0.000 0.230 54 R C 2.057 178.501 176.300 0.240 0.000 1.140 54 R CA 1.410 57.711 56.100 0.334 0.000 0.940 54 R CB -0.509 29.818 30.300 0.045 0.000 0.839 54 R HN 0.305 nan 8.270 nan 0.000 0.429 55 F N 0.927 120.945 119.950 0.114 0.000 2.120 55 F HA -0.295 4.232 4.527 -0.001 0.000 0.300 55 F C 2.910 178.751 175.800 0.068 0.000 1.095 55 F CA 2.144 60.188 58.000 0.072 0.000 1.249 55 F CB -0.400 38.622 39.000 0.037 0.000 0.995 55 F HN 0.254 nan 8.300 nan 0.000 0.480 56 S N -0.811 115.042 115.700 0.254 0.000 2.388 56 S HA -0.123 4.346 4.470 -0.001 0.000 0.223 56 S C 1.981 176.580 174.600 -0.001 0.000 1.034 56 S CA 0.644 58.886 58.200 0.071 0.000 0.963 56 S CB -0.943 62.246 63.200 -0.019 0.000 0.827 56 S HN 0.207 nan 8.310 nan 0.000 0.481 57 F N 2.059 122.077 119.950 0.114 0.000 2.128 57 F HA 0.201 4.727 4.527 -0.001 0.000 0.295 57 F C 2.717 178.546 175.800 0.048 0.000 1.100 57 F CA 1.390 59.440 58.000 0.083 0.000 1.260 57 F CB -0.621 38.438 39.000 0.097 0.000 1.009 57 F HN 0.275 nan 8.300 nan 0.000 0.476 58 E N 0.360 120.699 120.200 0.233 0.000 2.070 58 E HA -0.249 4.100 4.350 -0.001 0.000 0.197 58 E C 2.208 178.836 176.600 0.047 0.000 1.004 58 E CA 1.511 57.962 56.400 0.084 0.000 0.805 58 E CB -0.287 29.410 29.700 -0.006 0.000 0.744 58 E HN 0.360 nan 8.360 nan 0.000 0.451 59 L N -0.470 120.787 121.223 0.056 0.000 2.095 59 L HA -0.009 4.331 4.340 -0.001 0.000 0.204 59 L C 2.490 179.390 176.870 0.050 0.000 1.080 59 L CA 1.038 55.907 54.840 0.047 0.000 0.759 59 L CB -0.507 41.590 42.059 0.064 0.000 0.914 59 L HN 0.287 nan 8.230 nan 0.000 0.439 60 G N 0.471 109.298 108.800 0.044 0.000 2.513 60 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.219 60 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.219 60 G C 1.531 176.471 174.900 0.068 0.000 1.160 60 G CA 1.356 46.479 45.100 0.038 0.000 0.767 60 G HN 0.342 nan 8.290 nan 0.000 0.571 61 I N 1.399 122.025 120.570 0.092 0.000 2.252 61 I HA -0.121 4.049 4.170 -0.001 0.000 0.245 61 I C 3.303 179.456 176.117 0.060 0.000 1.102 61 I CA 0.939 62.290 61.300 0.085 0.000 1.385 61 I CB -0.299 37.754 38.000 0.088 0.000 1.064 61 I HN 0.237 nan 8.210 nan 0.000 0.414 62 A N 0.125 122.973 122.820 0.046 0.000 1.948 62 A HA -0.293 4.026 4.320 -0.001 0.000 0.220 62 A C 2.258 179.874 177.584 0.054 0.000 1.177 62 A CA 1.854 53.920 52.037 0.049 0.000 0.636 62 A CB -0.641 18.382 19.000 0.039 0.000 0.815 62 A HN 0.500 nan 8.150 nan 0.000 0.449 63 Q N -0.913 118.920 119.800 0.054 0.000 2.311 63 Q HA 0.134 4.474 4.340 -0.001 0.000 0.203 63 Q C 1.188 177.219 176.000 0.052 0.000 0.954 63 Q CA 0.553 56.389 55.803 0.054 0.000 0.885 63 Q CB -0.088 28.686 28.738 0.060 0.000 0.963 63 Q HN 0.696 nan 8.270 nan 0.000 0.471 64 L N -0.877 120.379 121.223 0.054 0.000 2.627 64 L HA 0.239 4.578 4.340 -0.001 0.000 0.232 64 L C 0.962 177.861 176.870 0.048 0.000 1.150 64 L CA 0.265 55.135 54.840 0.050 0.000 0.917 64 L CB -0.066 42.027 42.059 0.056 0.000 1.104 64 L HN 0.288 nan 8.230 nan 0.000 0.445 65 G N -0.161 108.669 108.800 0.050 0.000 2.143 65 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.249 65 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.249 65 G C 0.414 175.351 174.900 0.061 0.000 0.981 65 G CA -0.090 45.040 45.100 0.050 0.000 0.665 65 G HN 0.555 nan 8.290 nan 0.000 0.528 66 G N -1.500 107.342 108.800 0.070 0.000 2.705 66 G HA2 0.630 4.590 3.960 -0.001 0.000 0.299 66 G HA3 0.630 4.590 3.960 -0.001 0.000 0.299 66 G C -0.899 174.076 174.900 0.126 0.000 1.315 66 G CA -0.408 44.745 45.100 0.089 0.000 1.045 66 G HN 0.799 nan 8.290 nan 0.000 0.517 67 H N -0.829 118.256 119.070 0.026 0.000 2.800 67 H HA 0.613 5.169 4.556 -0.001 0.000 0.322 67 H C -0.048 175.291 175.328 0.020 0.000 0.979 67 H CA -0.296 55.763 56.048 0.019 0.000 1.277 67 H CB 1.076 30.842 29.762 0.007 0.000 1.484 67 H HN 0.603 nan 8.280 nan 0.000 0.512 68 A N 5.128 127.708 122.820 -0.399 0.000 2.347 68 A HA 0.404 4.723 4.320 -0.001 0.000 0.287 68 A C -0.424 176.964 177.584 -0.327 0.000 1.199 68 A CA -0.573 51.315 52.037 -0.250 0.000 0.851 68 A CB 0.007 18.928 19.000 -0.132 0.000 1.118 68 A HN 0.537 nan 8.150 nan 0.000 0.525 69 V N 4.608 124.449 119.914 -0.121 0.000 2.408 69 V HA 0.176 4.296 4.120 -0.001 0.000 0.267 69 V C 0.087 176.153 176.094 -0.047 0.000 1.047 69 V CA -0.166 62.107 62.300 -0.045 0.000 0.937 69 V CB 1.002 32.830 31.823 0.008 0.000 0.999 69 V HN 0.570 nan 8.190 nan 0.000 0.472 70 V N 6.362 126.264 119.914 -0.020 0.000 2.350 70 V HA 0.350 4.470 4.120 -0.001 0.000 0.276 70 V C 0.002 176.137 176.094 0.069 0.000 1.028 70 V CA -0.500 61.823 62.300 0.039 0.000 0.860 70 V CB 1.763 33.636 31.823 0.083 0.000 0.990 70 V HN 0.633 nan 8.190 nan 0.000 0.453 71 V N 4.676 124.635 119.914 0.075 0.000 2.328 71 V HA 0.465 4.585 4.120 -0.001 0.000 0.278 71 V C 0.075 176.293 176.094 0.206 0.000 1.021 71 V CA -0.408 61.945 62.300 0.089 0.000 0.838 71 V CB 1.290 33.124 31.823 0.020 0.000 0.999 71 V HN 0.890 nan 8.190 nan 0.000 0.447 72 D N 4.084 124.591 120.400 0.178 0.000 2.390 72 D HA 0.018 4.657 4.640 -0.001 0.000 0.236 72 D C 1.460 177.857 176.300 0.161 0.000 1.189 72 D CA 1.057 55.155 54.000 0.163 0.000 0.887 72 D CB 1.700 42.548 40.800 0.079 0.000 1.198 72 D HN 0.841 nan 8.370 nan 0.000 0.444 73 S N 0.632 116.421 115.700 0.148 0.000 2.603 73 S HA -0.007 4.463 4.470 -0.001 0.000 0.229 73 S C 1.765 176.426 174.600 0.102 0.000 0.972 73 S CA 0.593 58.877 58.200 0.140 0.000 0.935 73 S CB -0.163 63.121 63.200 0.139 0.000 0.769 73 S HN 0.502 nan 8.310 nan 0.000 0.536 74 G N 0.548 109.395 108.800 0.078 0.000 2.679 74 G HA2 0.160 4.120 3.960 -0.001 0.000 0.212 74 G HA3 0.160 4.120 3.960 -0.001 0.000 0.212 74 G C 0.449 175.383 174.900 0.057 0.000 1.137 74 G CA -0.009 45.126 45.100 0.059 0.000 0.787 74 G HN 0.519 nan 8.290 nan 0.000 0.534 75 S N -0.283 115.456 115.700 0.065 0.000 2.652 75 S HA 0.391 4.860 4.470 -0.001 0.000 0.270 75 S C 0.405 175.044 174.600 0.065 0.000 1.243 75 S CA -0.436 57.797 58.200 0.056 0.000 0.999 75 S CB 1.135 64.365 63.200 0.049 0.000 0.973 75 S HN 0.129 nan 8.310 nan 0.000 0.544 76 T N 2.968 117.554 114.554 0.054 0.000 2.792 76 T HA -0.022 4.328 4.350 -0.001 0.000 0.286 76 T C 0.409 175.155 174.700 0.076 0.000 0.970 76 T CA 0.452 62.588 62.100 0.059 0.000 1.187 76 T CB -0.129 68.765 68.868 0.044 0.000 0.915 76 T HN 0.465 nan 8.240 nan 0.000 0.529 77 Q N 2.864 122.726 119.800 0.102 0.000 2.283 77 Q HA -0.020 4.319 4.340 -0.001 0.000 0.301 77 Q C -0.215 175.866 176.000 0.134 0.000 1.063 77 Q CA -0.644 55.246 55.803 0.145 0.000 0.952 77 Q CB 0.264 29.109 28.738 0.179 0.000 1.166 77 Q HN 0.397 nan 8.270 nan 0.000 0.381 78 L N 4.189 125.503 121.223 0.153 0.000 2.601 78 L HA -0.010 4.330 4.340 -0.001 0.000 0.277 78 L C 1.384 178.346 176.870 0.152 0.000 1.219 78 L CA 2.402 57.309 54.840 0.113 0.000 0.915 78 L CB 0.200 42.302 42.059 0.072 0.000 1.160 78 L HN 0.992 nan 8.230 nan 0.000 0.494 79 G N 3.071 111.927 108.800 0.093 0.000 2.253 79 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.209 79 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.209 79 G C 1.386 176.329 174.900 0.072 0.000 0.997 79 G CA 0.212 45.369 45.100 0.095 0.000 0.640 79 G HN 0.518 nan 8.290 nan 0.000 0.496 80 R N -0.066 120.475 120.500 0.069 0.000 2.090 80 R HA 0.111 4.451 4.340 -0.001 0.000 0.219 80 R C 1.661 177.984 176.300 0.038 0.000 1.100 80 R CA 1.133 57.264 56.100 0.053 0.000 0.991 80 R CB -0.156 30.177 30.300 0.055 0.000 0.893 80 R HN 0.256 nan 8.270 nan 0.000 0.443 81 D N 0.737 121.158 120.400 0.035 0.000 2.301 81 D HA -0.020 4.620 4.640 -0.001 0.000 0.206 81 D C -0.013 176.298 176.300 0.019 0.000 0.979 81 D CA 0.618 54.633 54.000 0.025 0.000 0.874 81 D CB 0.638 41.452 40.800 0.024 0.000 0.968 81 D HN 0.363 nan 8.370 nan 0.000 0.510 82 E N -1.265 118.945 120.200 0.017 0.000 2.412 82 E HA 0.315 4.665 4.350 -0.001 0.000 0.279 82 E C -0.575 176.033 176.600 0.013 0.000 0.984 82 E CA -0.914 55.492 56.400 0.010 0.000 0.788 82 E CB 1.047 30.748 29.700 0.001 0.000 1.277 82 E HN -0.093 nan 8.360 nan 0.000 0.455 83 T N -0.399 114.161 114.554 0.010 0.000 2.900 83 T HA 0.124 4.473 4.350 -0.001 0.000 0.307 83 T C 1.442 176.146 174.700 0.005 0.000 1.065 83 T CA -0.484 61.626 62.100 0.016 0.000 1.105 83 T CB 0.375 69.251 68.868 0.013 0.000 0.979 83 T HN 0.562 nan 8.240 nan 0.000 0.544 84 L N 1.133 122.369 121.223 0.021 0.000 2.043 84 L HA -0.201 4.139 4.340 -0.001 0.000 0.212 84 L C 3.128 179.979 176.870 -0.032 0.000 1.075 84 L CA 1.605 56.446 54.840 0.002 0.000 0.752 84 L CB -0.711 41.391 42.059 0.072 0.000 0.891 84 L HN 0.710 nan 8.230 nan 0.000 0.432 85 Q N -0.059 119.734 119.800 -0.012 0.000 2.096 85 Q HA -0.217 4.123 4.340 -0.001 0.000 0.204 85 Q C 1.887 177.864 176.000 -0.038 0.000 0.982 85 Q CA 1.770 57.560 55.803 -0.022 0.000 0.850 85 Q CB -0.310 28.423 28.738 -0.008 0.000 0.901 85 Q HN 0.407 nan 8.270 nan 0.000 0.422 86 D N -0.692 119.689 120.400 -0.032 0.000 2.104 86 D HA -0.128 4.511 4.640 -0.001 0.000 0.194 86 D C 1.796 178.061 176.300 -0.058 0.000 0.994 86 D CA 1.700 55.677 54.000 -0.038 0.000 0.830 86 D CB -0.453 40.332 40.800 -0.025 0.000 0.959 86 D HN 0.223 nan 8.370 nan 0.000 0.452 87 T N 0.467 114.979 114.554 -0.070 0.000 2.720 87 T HA -0.156 4.193 4.350 -0.001 0.000 0.268 87 T C 1.972 176.599 174.700 -0.122 0.000 1.037 87 T CA 1.592 63.632 62.100 -0.100 0.000 1.144 87 T CB -0.369 68.414 68.868 -0.142 0.000 0.864 87 T HN 0.212 nan 8.240 nan 0.000 0.444 88 A N 1.860 124.606 122.820 -0.124 0.000 1.877 88 A HA -0.133 4.186 4.320 -0.001 0.000 0.216 88 A C 2.272 179.802 177.584 -0.090 0.000 1.186 88 A CA 1.449 53.417 52.037 -0.114 0.000 0.620 88 A CB -0.410 18.535 19.000 -0.092 0.000 0.822 88 A HN 0.419 nan 8.150 nan 0.000 0.443 89 K N -0.438 119.915 120.400 -0.079 0.000 2.147 89 K HA -0.072 4.248 4.320 -0.001 0.000 0.205 89 K C 1.904 178.429 176.600 -0.126 0.000 1.049 89 K CA 1.394 57.632 56.287 -0.082 0.000 0.936 89 K CB -0.346 32.115 32.500 -0.065 0.000 0.722 89 K HN 0.359 nan 8.250 nan 0.000 0.446 90 V N 1.867 121.700 119.914 -0.135 0.000 2.302 90 V HA -0.185 3.935 4.120 -0.001 0.000 0.243 90 V C 2.292 178.217 176.094 -0.281 0.000 1.036 90 V CA 1.276 63.451 62.300 -0.208 0.000 1.020 90 V CB -0.350 31.403 31.823 -0.117 0.000 0.657 90 V HN 0.259 nan 8.190 nan 0.000 0.453 91 L N -0.000 121.141 121.223 -0.136 0.000 2.081 91 L HA -0.201 4.139 4.340 -0.001 0.000 0.212 91 L C 2.485 179.304 176.870 -0.086 0.000 1.080 91 L CA 1.673 56.476 54.840 -0.063 0.000 0.754 91 L CB -0.614 41.400 42.059 -0.075 0.000 0.893 91 L HN 0.324 nan 8.230 nan 0.000 0.433 92 S N -0.859 114.775 115.700 -0.110 0.000 2.507 92 S HA -0.061 4.409 4.470 -0.001 0.000 0.235 92 S C 1.833 176.365 174.600 -0.114 0.000 0.988 92 S CA 0.666 58.818 58.200 -0.080 0.000 0.944 92 S CB -0.123 63.039 63.200 -0.063 0.000 0.762 92 S HN 0.304 nan 8.310 nan 0.000 0.526 93 R N -0.433 119.924 120.500 -0.238 0.000 2.254 93 R HA 0.208 4.547 4.340 -0.001 0.000 0.195 93 R C 0.711 176.885 176.300 -0.211 0.000 0.957 93 R CA 0.625 56.555 56.100 -0.284 0.000 1.024 93 R CB -0.321 29.714 30.300 -0.442 0.000 0.952 93 R HN 0.475 nan 8.270 nan 0.000 0.484 94 Y N -0.927 119.362 120.300 -0.018 0.000 2.535 94 Y HA 0.186 4.735 4.550 -0.001 0.000 0.266 94 Y C 1.074 176.970 175.900 -0.006 0.000 1.088 94 Y CA -0.803 57.290 58.100 -0.012 0.000 1.285 94 Y CB 0.323 38.773 38.460 -0.016 0.000 1.166 94 Y HN -0.256 nan 8.280 nan 0.000 0.525 95 V N -3.170 116.822 119.914 0.130 0.000 3.102 95 V HA 0.563 4.682 4.120 -0.001 0.000 0.312 95 V C -0.466 175.654 176.094 0.045 0.000 1.135 95 V CA -0.806 61.542 62.300 0.081 0.000 1.022 95 V CB 2.326 34.186 31.823 0.062 0.000 1.056 95 V HN -0.157 nan 8.190 nan 0.000 0.436 96 D N 1.103 121.527 120.400 0.041 0.000 2.379 96 D HA 0.641 5.281 4.640 -0.001 0.000 0.208 96 D C 0.483 176.804 176.300 0.035 0.000 1.065 96 D CA 1.360 55.379 54.000 0.032 0.000 0.848 96 D CB 1.081 41.900 40.800 0.031 0.000 0.949 96 D HN 1.089 nan 8.370 nan 0.000 0.509 97 A N -0.140 122.702 122.820 0.036 0.000 2.599 97 A HA 0.710 5.029 4.320 -0.001 0.000 0.290 97 A C -1.662 175.928 177.584 0.010 0.000 1.101 97 A CA -0.637 51.425 52.037 0.042 0.000 0.674 97 A CB 1.072 20.111 19.000 0.065 0.000 1.277 97 A HN 0.007 nan 8.150 nan 0.000 0.419 98 I N 1.161 121.736 120.570 0.008 0.000 2.448 98 I HA 0.382 4.552 4.170 -0.001 0.000 0.281 98 I C -0.922 175.162 176.117 -0.056 0.000 1.027 98 I CA -0.713 60.555 61.300 -0.054 0.000 1.111 98 I CB 1.858 39.812 38.000 -0.076 0.000 1.236 98 I HN 0.313 nan 8.210 nan 0.000 0.452 99 V N 5.743 125.559 119.914 -0.164 0.000 2.407 99 V HA 0.363 4.483 4.120 -0.001 0.000 0.278 99 V C -1.000 174.955 176.094 -0.231 0.000 1.037 99 V CA -0.332 61.790 62.300 -0.296 0.000 0.900 99 V CB 1.453 32.860 31.823 -0.693 0.000 0.983 99 V HN 0.620 nan 8.190 nan 0.000 0.459 100 W N 6.149 127.230 121.300 -0.364 0.000 3.042 100 W HA 0.491 5.150 4.660 -0.001 0.000 0.337 100 W C -0.559 175.793 176.519 -0.279 0.000 1.086 100 W CA -1.256 55.890 57.345 -0.331 0.000 1.236 100 W CB 1.481 30.816 29.460 -0.209 0.000 1.381 100 W HN 0.340 nan 8.180 nan 0.000 0.472 101 R N 4.512 124.898 120.500 -0.190 0.000 2.287 101 R HA 0.364 4.704 4.340 -0.001 0.000 0.327 101 R C -0.441 175.490 176.300 -0.615 0.000 1.109 101 R CA 0.325 56.251 56.100 -0.290 0.000 1.013 101 R CB 0.835 31.136 30.300 0.002 0.000 1.126 101 R HN 0.610 nan 8.270 nan 0.000 0.503 102 T N 1.546 115.545 114.554 -0.925 0.000 2.718 102 T HA 0.509 4.858 4.350 -0.001 0.000 0.267 102 T C 0.548 174.745 174.700 -0.838 0.000 0.957 102 T CA -0.382 61.054 62.100 -1.106 0.000 1.025 102 T CB 0.575 68.477 68.868 -1.611 0.000 1.355 102 T HN 0.271 nan 8.240 nan 0.000 0.572 103 F N 0.666 120.435 119.950 -0.302 0.000 2.384 103 F HA 0.498 5.025 4.527 -0.001 0.000 0.244 103 F C 1.893 177.595 175.800 -0.164 0.000 1.105 103 F CA -0.032 57.863 58.000 -0.175 0.000 1.005 103 F CB -0.925 38.012 39.000 -0.105 0.000 1.097 103 F HN 0.603 nan 8.300 nan 0.000 0.619 104 G N -0.022 108.837 108.800 0.100 0.000 2.406 104 G HA2 0.205 4.164 3.960 -0.001 0.000 0.251 104 G HA3 0.205 4.164 3.960 -0.001 0.000 0.251 104 G C 0.370 175.253 174.900 -0.028 0.000 1.271 104 G CA -0.225 44.891 45.100 0.027 0.000 0.859 104 G HN 0.293 nan 8.290 nan 0.000 0.540 105 Q N 0.735 120.534 119.800 -0.002 0.000 2.181 105 Q HA -0.179 4.160 4.340 -0.001 0.000 0.205 105 Q C 2.472 178.476 176.000 0.007 0.000 0.980 105 Q CA 2.089 57.902 55.803 0.017 0.000 0.862 105 Q CB -0.011 28.786 28.738 0.099 0.000 0.905 105 Q HN 0.806 nan 8.270 nan 0.000 0.429 106 E N 0.103 120.312 120.200 0.016 0.000 2.267 106 E HA -0.237 4.113 4.350 -0.001 0.000 0.197 106 E C 1.536 178.159 176.600 0.038 0.000 0.998 106 E CA 1.176 57.591 56.400 0.026 0.000 0.830 106 E CB -0.245 29.472 29.700 0.029 0.000 0.751 106 E HN 0.431 nan 8.360 nan 0.000 0.491 107 R N 0.101 120.613 120.500 0.020 0.000 2.073 107 R HA 0.111 4.451 4.340 -0.001 0.000 0.229 107 R C 2.736 179.124 176.300 0.147 0.000 1.120 107 R CA 1.200 57.343 56.100 0.071 0.000 0.967 107 R CB -0.250 30.022 30.300 -0.046 0.000 0.862 107 R HN 0.178 nan 8.270 nan 0.000 0.436 108 L N 0.563 121.791 121.223 0.008 0.000 2.109 108 L HA -0.167 4.172 4.340 -0.001 0.000 0.207 108 L C 1.644 178.555 176.870 0.068 0.000 1.086 108 L CA 1.028 55.920 54.840 0.086 0.000 0.760 108 L CB -0.290 41.749 42.059 -0.032 0.000 0.910 108 L HN 0.162 nan 8.230 nan 0.000 0.437 109 D N 0.154 120.572 120.400 0.029 0.000 2.117 109 D HA -0.162 4.478 4.640 -0.001 0.000 0.197 109 D C 2.212 178.520 176.300 0.013 0.000 0.987 109 D CA 1.488 55.490 54.000 0.004 0.000 0.829 109 D CB -0.003 40.805 40.800 0.012 0.000 0.961 109 D HN 0.324 nan 8.370 nan 0.000 0.460 110 A N 1.037 123.889 122.820 0.053 0.000 1.858 110 A HA -0.195 4.125 4.320 -0.001 0.000 0.216 110 A C 2.227 179.835 177.584 0.040 0.000 1.190 110 A CA 1.991 54.061 52.037 0.054 0.000 0.617 110 A CB -0.654 18.395 19.000 0.082 0.000 0.827 110 A HN 0.195 nan 8.150 nan 0.000 0.443 111 M N 0.249 119.899 119.600 0.084 0.000 2.108 111 M HA -0.106 4.374 4.480 -0.001 0.000 0.261 111 M C 2.018 178.285 176.300 -0.056 0.000 1.066 111 M CA 2.107 57.421 55.300 0.024 0.000 1.107 111 M CB -0.373 32.293 32.600 0.111 0.000 1.356 111 M HN 0.353 nan 8.290 nan 0.000 0.406 112 A N -0.961 121.793 122.820 -0.111 0.000 2.067 112 A HA -0.033 4.286 4.320 -0.001 0.000 0.217 112 A C 2.186 179.646 177.584 -0.206 0.000 1.156 112 A CA 1.401 53.225 52.037 -0.355 0.000 0.683 112 A CB -1.096 17.599 19.000 -0.510 0.000 0.808 112 A HN 0.715 nan 8.150 nan 0.000 0.455 113 S N -0.064 115.591 115.700 -0.074 0.000 2.423 113 S HA -0.083 4.386 4.470 -0.001 0.000 0.231 113 S C 1.364 175.970 174.600 0.010 0.000 1.014 113 S CA 1.427 59.619 58.200 -0.013 0.000 0.965 113 S CB -0.681 62.520 63.200 0.000 0.000 0.785 113 S HN 1.086 nan 8.310 nan 0.000 0.495 114 V N -2.624 117.289 119.914 -0.002 0.000 3.477 114 V HA 0.717 4.836 4.120 -0.001 0.000 0.297 114 V C 0.598 176.699 176.094 0.013 0.000 1.433 114 V CA -0.400 61.904 62.300 0.007 0.000 1.052 114 V CB -0.593 31.226 31.823 -0.007 0.000 0.895 114 V HN 0.552 nan 8.190 nan 0.000 0.438 115 A N 1.487 124.322 122.820 0.024 0.000 2.363 115 A HA 0.544 4.863 4.320 -0.001 0.000 0.270 115 A C 1.184 178.820 177.584 0.088 0.000 1.121 115 A CA 0.548 52.609 52.037 0.041 0.000 0.800 115 A CB 0.482 19.509 19.000 0.045 0.000 1.052 115 A HN 0.755 nan 8.150 nan 0.000 0.493 116 T N -0.655 113.925 114.554 0.042 0.000 3.188 116 T HA 0.353 4.702 4.350 -0.001 0.000 0.250 116 T C 0.299 175.018 174.700 0.031 0.000 1.077 116 T CA 0.489 62.609 62.100 0.032 0.000 0.967 116 T CB -1.441 67.427 68.868 0.001 0.000 1.006 116 T HN 1.400 nan 8.240 nan 0.000 0.552 117 V N -3.372 116.582 119.914 0.067 0.000 3.007 117 V HA 0.749 4.869 4.120 -0.001 0.000 0.311 117 V C -3.294 172.878 176.094 0.129 0.000 1.120 117 V CA -3.420 58.914 62.300 0.057 0.000 0.980 117 V CB 1.781 33.626 31.823 0.037 0.000 1.033 117 V HN -0.181 nan 8.190 nan 0.000 0.429 118 P HA 0.268 nan 4.420 nan 0.000 0.266 118 P C -0.741 176.731 177.300 0.286 0.000 1.195 118 P CA 0.150 63.342 63.100 0.154 0.000 0.768 118 P CB 0.709 32.465 31.700 0.093 0.000 0.838 119 V N 5.240 125.460 119.914 0.510 0.000 2.495 119 V HA 0.423 4.543 4.120 -0.001 0.000 0.298 119 V C 0.223 176.471 176.094 0.258 0.000 1.031 119 V CA -0.387 62.069 62.300 0.261 0.000 0.871 119 V CB 1.478 33.342 31.823 0.067 0.000 0.988 119 V HN 0.383 nan 8.190 nan 0.000 0.432 120 I N 3.938 124.621 120.570 0.188 0.000 2.418 120 I HA 0.362 4.531 4.170 -0.001 0.000 0.287 120 I C -0.166 176.032 176.117 0.134 0.000 1.008 120 I CA -0.590 60.843 61.300 0.222 0.000 1.104 120 I CB 1.932 40.077 38.000 0.242 0.000 1.264 120 I HN 0.543 nan 8.210 nan 0.000 0.438 121 N N 5.115 123.877 118.700 0.104 0.000 2.399 121 N HA 0.198 4.937 4.740 -0.001 0.000 0.259 121 N C 0.599 176.175 175.510 0.111 0.000 1.160 121 N CA 0.127 53.199 53.050 0.036 0.000 0.946 121 N CB 1.516 39.981 38.487 -0.037 0.000 1.156 121 N HN 0.746 nan 8.380 nan 0.000 0.489 122 A N 4.076 126.931 122.820 0.059 0.000 2.123 122 A HA 0.249 4.569 4.320 -0.001 0.000 0.214 122 A C 0.558 178.287 177.584 0.242 0.000 1.152 122 A CA 0.389 52.534 52.037 0.179 0.000 0.728 122 A CB -0.029 18.945 19.000 -0.043 0.000 0.814 122 A HN 0.674 nan 8.150 nan 0.000 0.464 123 L N -0.834 120.431 121.223 0.070 0.000 3.546 123 L HA 0.331 4.671 4.340 -0.001 0.000 0.258 123 L C -0.949 175.833 176.870 -0.147 0.000 0.984 123 L CA 0.027 54.831 54.840 -0.061 0.000 1.078 123 L CB 1.374 43.313 42.059 -0.201 0.000 1.801 123 L HN 0.298 nan 8.230 nan 0.000 0.497 124 S N 1.394 117.023 115.700 -0.118 0.000 2.720 124 S HA 0.525 4.995 4.470 -0.001 0.000 0.287 124 S C -0.030 174.513 174.600 -0.094 0.000 1.168 124 S CA -0.521 57.596 58.200 -0.138 0.000 0.832 124 S CB 1.881 65.025 63.200 -0.092 0.000 1.166 124 S HN 0.654 nan 8.310 nan 0.000 0.493 125 D N 1.013 121.376 120.400 -0.062 0.000 2.084 125 D HA -0.066 4.573 4.640 -0.001 0.000 0.194 125 D C 1.782 178.020 176.300 -0.104 0.000 0.990 125 D CA 1.726 55.703 54.000 -0.038 0.000 0.826 125 D CB -0.079 40.728 40.800 0.013 0.000 0.971 125 D HN 0.725 nan 8.370 nan 0.000 0.453 126 E N -0.657 119.449 120.200 -0.157 0.000 2.170 126 E HA 0.004 4.354 4.350 -0.001 0.000 0.191 126 E C 0.300 176.514 176.600 -0.643 0.000 0.981 126 E CA 0.460 56.623 56.400 -0.396 0.000 0.830 126 E CB 0.197 29.523 29.700 -0.624 0.000 0.775 126 E HN 0.258 nan 8.360 nan 0.000 0.470 127 F N -0.400 119.572 119.950 0.037 0.000 2.599 127 F HA 0.372 4.898 4.527 -0.001 0.000 0.311 127 F C 0.053 175.887 175.800 0.057 0.000 1.076 127 F CA -1.109 56.908 58.000 0.029 0.000 0.937 127 F CB 1.503 40.483 39.000 -0.033 0.000 1.282 127 F HN -0.142 nan 8.300 nan 0.000 0.460 128 H N 2.878 122.031 119.070 0.137 0.000 2.511 128 H HA 0.396 4.952 4.556 -0.001 0.000 0.228 128 H C -2.440 172.927 175.328 0.065 0.000 1.424 128 H CA -3.137 52.952 56.048 0.068 0.000 1.321 128 H CB 0.661 30.438 29.762 0.024 0.000 1.720 128 H HN 0.132 nan 8.280 nan 0.000 0.512 129 P HA -0.112 nan 4.420 nan 0.000 0.216 129 P C 1.489 178.856 177.300 0.112 0.000 1.153 129 P CA 0.941 64.035 63.100 -0.010 0.000 0.844 129 P CB 0.195 31.669 31.700 -0.375 0.000 0.787 130 C N -0.782 118.639 119.300 0.201 0.000 2.403 130 C HA -0.146 4.314 4.460 -0.001 0.000 0.277 130 C C 2.846 177.797 174.990 -0.065 0.000 1.248 130 C CA 1.063 60.183 59.018 0.170 0.000 1.762 130 C CB -1.918 25.978 27.740 0.260 0.000 2.014 130 C HN 0.247 nan 8.230 nan 0.000 0.486 131 Q N 1.019 120.613 119.800 -0.343 0.000 2.124 131 Q HA -0.114 4.225 4.340 -0.001 0.000 0.202 131 Q C 2.065 177.944 176.000 -0.202 0.000 0.977 131 Q CA 1.819 57.377 55.803 -0.409 0.000 0.850 131 Q CB -0.302 27.879 28.738 -0.928 0.000 0.901 131 Q HN 0.508 nan 8.270 nan 0.000 0.429 132 V N 0.246 120.070 119.914 -0.151 0.000 2.453 132 V HA -0.211 3.909 4.120 -0.001 0.000 0.247 132 V C 2.247 178.318 176.094 -0.039 0.000 1.048 132 V CA 1.394 63.651 62.300 -0.072 0.000 1.049 132 V CB -0.530 31.268 31.823 -0.041 0.000 0.672 132 V HN 0.387 nan 8.190 nan 0.000 0.457 133 L N 0.159 121.375 121.223 -0.012 0.000 2.042 133 L HA -0.208 4.132 4.340 -0.001 0.000 0.210 133 L C 2.728 179.573 176.870 -0.042 0.000 1.076 133 L CA 1.792 56.617 54.840 -0.025 0.000 0.749 133 L CB -0.804 41.240 42.059 -0.025 0.000 0.893 133 L HN 0.397 nan 8.230 nan 0.000 0.432 134 A N -0.357 122.432 122.820 -0.051 0.000 1.898 134 A HA -0.202 4.117 4.320 -0.001 0.000 0.216 134 A C 1.907 179.473 177.584 -0.031 0.000 1.181 134 A CA 1.717 53.728 52.037 -0.044 0.000 0.620 134 A CB -0.423 18.542 19.000 -0.059 0.000 0.819 134 A HN 0.347 nan 8.150 nan 0.000 0.442 135 D N 0.350 120.727 120.400 -0.040 0.000 2.092 135 D HA -0.141 4.499 4.640 -0.001 0.000 0.193 135 D C 1.994 178.283 176.300 -0.018 0.000 0.994 135 D CA 1.236 55.220 54.000 -0.027 0.000 0.828 135 D CB -0.442 40.338 40.800 -0.034 0.000 0.963 135 D HN 0.447 nan 8.370 nan 0.000 0.450 136 L N 0.531 121.739 121.223 -0.024 0.000 2.042 136 L HA -0.232 4.108 4.340 -0.001 0.000 0.210 136 L C 2.697 179.555 176.870 -0.019 0.000 1.076 136 L CA 1.236 56.062 54.840 -0.023 0.000 0.749 136 L CB -0.532 41.507 42.059 -0.032 0.000 0.893 136 L HN 0.082 nan 8.230 nan 0.000 0.432 137 Q N -0.248 119.540 119.800 -0.019 0.000 2.096 137 Q HA -0.259 4.080 4.340 -0.001 0.000 0.204 137 Q C 2.171 178.173 176.000 0.003 0.000 0.982 137 Q CA 2.497 58.295 55.803 -0.009 0.000 0.850 137 Q CB -0.125 28.614 28.738 0.001 0.000 0.901 137 Q HN 0.459 nan 8.270 nan 0.000 0.422 138 T N -1.093 113.465 114.554 0.005 0.000 2.985 138 T HA -0.000 4.349 4.350 -0.001 0.000 0.266 138 T C 1.723 176.427 174.700 0.007 0.000 1.076 138 T CA 0.873 62.980 62.100 0.012 0.000 1.135 138 T CB -0.189 68.689 68.868 0.015 0.000 0.890 138 T HN 0.370 nan 8.240 nan 0.000 0.480 139 I N 1.710 122.282 120.570 0.002 0.000 2.202 139 I HA 0.013 4.183 4.170 -0.001 0.000 0.242 139 I C 3.149 179.267 176.117 0.003 0.000 1.091 139 I CA 1.069 62.371 61.300 0.004 0.000 1.368 139 I CB -0.622 37.380 38.000 0.004 0.000 1.058 139 I HN 0.322 nan 8.210 nan 0.000 0.410 140 A N 1.466 124.285 122.820 -0.003 0.000 1.892 140 A HA -0.279 4.041 4.320 -0.001 0.000 0.218 140 A C 2.270 179.854 177.584 -0.001 0.000 1.188 140 A CA 2.288 54.322 52.037 -0.005 0.000 0.631 140 A CB -0.857 18.136 19.000 -0.012 0.000 0.822 140 A HN 0.668 nan 8.150 nan 0.000 0.447 141 E N -1.343 118.858 120.200 0.002 0.000 2.208 141 E HA -0.136 4.213 4.350 -0.001 0.000 0.193 141 E C 1.986 178.590 176.600 0.007 0.000 0.988 141 E CA 0.562 56.964 56.400 0.004 0.000 0.828 141 E CB -0.190 29.514 29.700 0.006 0.000 0.763 141 E HN 0.437 nan 8.360 nan 0.000 0.478 142 R N 1.003 121.509 120.500 0.009 0.000 2.066 142 R HA 0.107 4.447 4.340 -0.001 0.000 0.224 142 R C 1.737 178.042 176.300 0.010 0.000 1.122 142 R CA 1.013 57.120 56.100 0.011 0.000 0.974 142 R CB -0.014 30.293 30.300 0.012 0.000 0.871 142 R HN 0.168 nan 8.270 nan 0.000 0.435 143 K N -0.146 120.259 120.400 0.009 0.000 2.358 143 K HA 0.203 4.523 4.320 -0.001 0.000 0.200 143 K C 0.674 177.279 176.600 0.008 0.000 1.030 143 K CA 0.481 56.774 56.287 0.010 0.000 1.097 143 K CB 1.301 33.809 32.500 0.014 0.000 0.862 143 K HN 0.281 nan 8.250 nan 0.000 0.534 144 G N 1.973 110.776 108.800 0.005 0.000 2.527 144 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.227 144 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.227 144 G C -0.234 174.666 174.900 -0.000 0.000 1.291 144 G CA -0.499 44.603 45.100 0.002 0.000 0.904 144 G HN 0.362 nan 8.290 nan 0.000 0.577 145 A N -0.598 122.222 122.820 -0.001 0.000 2.586 145 A HA 0.462 4.781 4.320 -0.001 0.000 0.231 145 A C 1.611 179.193 177.584 -0.005 0.000 1.055 145 A CA 1.002 53.036 52.037 -0.004 0.000 0.756 145 A CB 0.063 19.061 19.000 -0.003 0.000 0.988 145 A HN 1.317 nan 8.150 nan 0.000 0.509 146 L N 1.379 122.595 121.223 -0.013 0.000 2.168 146 L HA 0.064 4.404 4.340 -0.001 0.000 0.203 146 L C 1.490 178.346 176.870 -0.022 0.000 1.078 146 L CA 1.186 56.016 54.840 -0.016 0.000 0.780 146 L CB -1.445 40.599 42.059 -0.026 0.000 0.939 146 L HN 0.712 nan 8.230 nan 0.000 0.451 147 R N 0.474 120.957 120.500 -0.030 0.000 2.494 147 R HA 0.189 4.528 4.340 -0.001 0.000 0.291 147 R C 1.189 177.477 176.300 -0.020 0.000 0.953 147 R CA 0.865 56.939 56.100 -0.043 0.000 1.098 147 R CB -0.306 29.974 30.300 -0.034 0.000 0.911 147 R HN 0.469 nan 8.270 nan 0.000 0.407 148 G N 2.156 110.934 108.800 -0.037 0.000 2.259 148 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.217 148 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.217 148 G C 0.249 175.229 174.900 0.133 0.000 1.001 148 G CA -0.544 44.596 45.100 0.067 0.000 0.627 148 G HN 0.418 nan 8.290 nan 0.000 0.501 149 L N 1.199 122.461 121.223 0.066 0.000 2.467 149 L HA 0.456 4.796 4.340 -0.001 0.000 0.270 149 L C 0.991 177.938 176.870 0.128 0.000 1.205 149 L CA -0.140 54.748 54.840 0.080 0.000 0.828 149 L CB 0.355 42.439 42.059 0.041 0.000 1.101 149 L HN 0.194 nan 8.230 nan 0.000 0.479 150 R N 3.255 123.824 120.500 0.115 0.000 2.343 150 R HA 0.586 4.925 4.340 -0.001 0.000 0.320 150 R C -1.065 175.286 176.300 0.085 0.000 0.956 150 R CA -0.656 55.516 56.100 0.120 0.000 0.836 150 R CB 1.686 32.041 30.300 0.093 0.000 1.151 150 R HN 0.462 nan 8.270 nan 0.000 0.450 151 L N 1.411 122.679 121.223 0.076 0.000 2.362 151 L HA 0.521 4.861 4.340 -0.001 0.000 0.275 151 L C -1.030 175.867 176.870 0.045 0.000 0.998 151 L CA -0.339 54.539 54.840 0.064 0.000 0.820 151 L CB 2.174 44.263 42.059 0.049 0.000 1.270 151 L HN 0.562 nan 8.230 nan 0.000 0.415 152 S N 3.616 119.343 115.700 0.045 0.000 2.519 152 S HA 0.455 4.924 4.470 -0.001 0.000 0.309 152 S C -1.436 173.062 174.600 -0.169 0.000 1.100 152 S CA -0.351 57.783 58.200 -0.109 0.000 1.059 152 S CB 1.312 64.413 63.200 -0.166 0.000 1.008 152 S HN 0.544 nan 8.310 nan 0.000 0.478 153 Y N 2.986 123.040 120.300 -0.409 0.000 2.409 153 Y HA 0.734 5.284 4.550 -0.001 0.000 0.339 153 Y C -1.661 173.937 175.900 -0.503 0.000 1.033 153 Y CA -1.190 56.741 58.100 -0.282 0.000 1.094 153 Y CB 0.691 39.078 38.460 -0.122 0.000 1.210 153 Y HN 0.568 nan 8.280 nan 0.000 0.456 154 F N 3.650 123.195 119.950 -0.676 0.000 2.532 154 F HA 0.779 5.306 4.527 -0.001 0.000 0.321 154 F C 0.638 176.018 175.800 -0.700 0.000 1.089 154 F CA -0.001 57.739 58.000 -0.433 0.000 0.926 154 F CB 2.053 41.016 39.000 -0.061 0.000 1.168 154 F HN 0.840 nan 8.300 nan 0.000 0.459 155 G N 1.554 110.213 108.800 -0.234 0.000 2.297 155 G HA2 -0.072 3.888 3.960 -0.001 0.000 0.209 155 G HA3 -0.072 3.888 3.960 -0.001 0.000 0.209 155 G C -1.487 173.326 174.900 -0.145 0.000 1.267 155 G CA -1.009 44.015 45.100 -0.127 0.000 1.127 155 G HN 0.705 nan 8.290 nan 0.000 0.498 156 D N 1.472 121.786 120.400 -0.143 0.000 2.356 156 D HA 0.411 5.051 4.640 -0.001 0.000 0.272 156 D C 1.637 178.035 176.300 0.163 0.000 1.337 156 D CA 1.182 55.192 54.000 0.017 0.000 0.970 156 D CB 0.387 41.125 40.800 -0.102 0.000 1.092 156 D HN 0.992 nan 8.370 nan 0.000 0.516 157 G N 2.842 111.749 108.800 0.178 0.000 2.679 157 G HA2 -0.002 3.957 3.960 -0.001 0.000 0.212 157 G HA3 -0.002 3.957 3.960 -0.001 0.000 0.212 157 G C 1.081 176.030 174.900 0.083 0.000 1.137 157 G CA 0.494 45.693 45.100 0.165 0.000 0.787 157 G HN 0.568 nan 8.290 nan 0.000 0.534 158 A N 0.425 123.283 122.820 0.063 0.000 2.348 158 A HA 0.236 4.556 4.320 -0.001 0.000 0.224 158 A C 1.221 178.573 177.584 -0.386 0.000 1.227 158 A CA 0.025 52.020 52.037 -0.069 0.000 0.885 158 A CB -0.140 18.913 19.000 0.087 0.000 0.933 158 A HN 0.451 nan 8.150 nan 0.000 0.506 159 N N 0.579 119.110 118.700 -0.282 0.000 2.413 159 N HA 0.015 4.755 4.740 -0.001 0.000 0.266 159 N C 0.483 175.713 175.510 -0.466 0.000 1.238 159 N CA 0.224 53.099 53.050 -0.293 0.000 0.972 159 N CB 0.062 38.482 38.487 -0.112 0.000 1.210 159 N HN 0.152 nan 8.380 nan 0.000 0.547 160 N N 0.555 119.078 118.700 -0.295 0.000 2.094 160 N HA -0.207 4.532 4.740 -0.001 0.000 0.191 160 N C 1.295 176.718 175.510 -0.146 0.000 1.023 160 N CA 1.731 54.651 53.050 -0.217 0.000 0.857 160 N CB -0.437 37.997 38.487 -0.088 0.000 1.013 160 N HN 0.450 nan 8.380 nan 0.000 0.426 161 M N 0.283 119.786 119.600 -0.162 0.000 2.159 161 M HA 0.113 4.593 4.480 -0.001 0.000 0.263 161 M C 2.171 178.176 176.300 -0.492 0.000 1.063 161 M CA 1.334 56.488 55.300 -0.243 0.000 1.110 161 M CB -1.303 31.152 32.600 -0.242 0.000 1.374 161 M HN 0.430 nan 8.290 nan 0.000 0.411 162 A N -0.574 121.904 122.820 -0.569 0.000 1.873 162 A HA -0.180 4.140 4.320 -0.001 0.000 0.215 162 A C 1.898 179.405 177.584 -0.128 0.000 1.186 162 A CA 1.511 53.256 52.037 -0.487 0.000 0.616 162 A CB -0.917 17.954 19.000 -0.215 0.000 0.823 162 A HN 0.433 nan 8.150 nan 0.000 0.442 163 H N 0.119 119.104 119.070 -0.141 0.000 2.319 163 H HA -0.057 4.498 4.556 -0.001 0.000 0.299 163 H C 2.530 177.901 175.328 0.071 0.000 1.092 163 H CA 1.606 57.623 56.048 -0.053 0.000 1.302 163 H CB -0.612 29.009 29.762 -0.234 0.000 1.373 163 H HN 0.444 nan 8.280 nan 0.000 0.497 164 S N 0.072 115.879 115.700 0.179 0.000 2.371 164 S HA -0.001 4.469 4.470 -0.001 0.000 0.224 164 S C 2.427 177.037 174.600 0.017 0.000 1.029 164 S CA 0.364 58.648 58.200 0.142 0.000 0.978 164 S CB -0.148 63.127 63.200 0.123 0.000 0.833 164 S HN 0.206 nan 8.310 nan 0.000 0.466 165 L N 1.081 122.257 121.223 -0.078 0.000 2.131 165 L HA -0.103 4.236 4.340 -0.001 0.000 0.210 165 L C 2.114 178.960 176.870 -0.040 0.000 1.092 165 L CA 0.846 55.630 54.840 -0.093 0.000 0.759 165 L CB -0.498 41.447 42.059 -0.190 0.000 0.903 165 L HN 0.290 nan 8.230 nan 0.000 0.435 166 L N -0.937 120.279 121.223 -0.012 0.000 2.005 166 L HA -0.229 4.111 4.340 -0.001 0.000 0.207 166 L C 2.437 179.319 176.870 0.019 0.000 1.072 166 L CA 1.295 56.145 54.840 0.018 0.000 0.744 166 L CB -0.379 41.709 42.059 0.049 0.000 0.895 166 L HN 0.209 nan 8.230 nan 0.000 0.433 167 L N -0.841 120.406 121.223 0.040 0.000 2.005 167 L HA -0.117 4.223 4.340 -0.001 0.000 0.207 167 L C 2.593 179.458 176.870 -0.008 0.000 1.072 167 L CA 1.579 56.429 54.840 0.017 0.000 0.744 167 L CB -1.097 40.974 42.059 0.020 0.000 0.895 167 L HN 0.345 nan 8.230 nan 0.000 0.433 168 G N -0.788 108.010 108.800 -0.004 0.000 2.421 168 G HA2 -0.127 3.833 3.960 -0.001 0.000 0.217 168 G HA3 -0.127 3.833 3.960 -0.001 0.000 0.217 168 G C 1.519 176.407 174.900 -0.020 0.000 1.143 168 G CA 0.651 45.745 45.100 -0.009 0.000 0.784 168 G HN 0.490 nan 8.290 nan 0.000 0.541 169 G N 1.053 109.840 108.800 -0.021 0.000 2.453 169 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.215 169 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.215 169 G C 1.993 176.869 174.900 -0.040 0.000 1.201 169 G CA 2.336 47.420 45.100 -0.027 0.000 0.784 169 G HN 0.797 nan 8.290 nan 0.000 0.545 170 V N -1.238 118.655 119.914 -0.035 0.000 2.594 170 V HA -0.111 4.009 4.120 -0.001 0.000 0.253 170 V C 2.574 178.636 176.094 -0.053 0.000 1.069 170 V CA 2.597 64.867 62.300 -0.051 0.000 1.082 170 V CB -1.294 30.510 31.823 -0.031 0.000 0.680 170 V HN 0.268 nan 8.190 nan 0.000 0.469 171 T N 1.362 115.891 114.554 -0.041 0.000 2.788 171 T HA 0.010 4.360 4.350 -0.001 0.000 0.268 171 T C 1.907 176.577 174.700 -0.050 0.000 1.044 171 T CA 1.933 64.008 62.100 -0.041 0.000 1.139 171 T CB -0.469 68.379 68.868 -0.035 0.000 0.867 171 T HN 0.776 nan 8.240 nan 0.000 0.454 172 A N 0.155 122.944 122.820 -0.052 0.000 2.238 172 A HA 0.517 4.836 4.320 -0.001 0.000 0.208 172 A C 1.777 179.321 177.584 -0.066 0.000 1.177 172 A CA 0.771 52.775 52.037 -0.055 0.000 0.804 172 A CB -0.622 18.349 19.000 -0.049 0.000 0.823 172 A HN 0.743 nan 8.150 nan 0.000 0.482 173 G N -0.902 107.846 108.800 -0.086 0.000 2.132 173 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.228 173 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.228 173 G C -0.009 174.771 174.900 -0.201 0.000 1.000 173 G CA 0.146 45.169 45.100 -0.128 0.000 0.693 173 G HN 0.424 nan 8.290 nan 0.000 0.515 174 I N 0.648 121.121 120.570 -0.162 0.000 2.440 174 I HA 0.331 4.501 4.170 -0.001 0.000 0.294 174 I C 0.686 176.682 176.117 -0.202 0.000 0.995 174 I CA -1.075 60.136 61.300 -0.148 0.000 1.306 174 I CB 0.805 38.774 38.000 -0.053 0.000 1.407 174 I HN 0.126 nan 8.210 nan 0.000 0.501 175 H N 4.364 123.438 119.070 0.007 0.000 2.878 175 H HA 0.262 4.818 4.556 -0.001 0.000 0.290 175 H C -0.592 174.741 175.328 0.008 0.000 1.065 175 H CA -0.249 55.804 56.048 0.008 0.000 1.477 175 H CB 0.499 30.268 29.762 0.011 0.000 1.484 175 H HN 0.191 nan 8.280 nan 0.000 0.504 176 V N 4.351 124.322 119.914 0.096 0.000 2.427 176 V HA 0.289 4.408 4.120 -0.001 0.000 0.286 176 V C 0.309 176.431 176.094 0.048 0.000 1.034 176 V CA -0.613 61.719 62.300 0.053 0.000 0.893 176 V CB 1.748 33.585 31.823 0.024 0.000 0.982 176 V HN 0.803 nan 8.190 nan 0.000 0.452 177 T N 3.823 118.389 114.554 0.021 0.000 2.824 177 T HA 0.562 4.911 4.350 -0.001 0.000 0.282 177 T C -0.483 174.195 174.700 -0.038 0.000 0.993 177 T CA -0.449 61.646 62.100 -0.008 0.000 0.967 177 T CB 1.802 70.652 68.868 -0.031 0.000 0.960 177 T HN 0.323 nan 8.240 nan 0.000 0.441 178 V N 2.684 122.593 119.914 -0.008 0.000 2.370 178 V HA 0.699 4.819 4.120 -0.001 0.000 0.283 178 V C 0.143 176.210 176.094 -0.044 0.000 1.023 178 V CA -0.789 61.518 62.300 0.011 0.000 0.857 178 V CB 1.199 33.074 31.823 0.086 0.000 0.985 178 V HN 1.093 nan 8.190 nan 0.000 0.443 179 A N 4.636 127.360 122.820 -0.159 0.000 2.258 179 A HA 0.949 5.268 4.320 -0.001 0.000 0.316 179 A C -0.011 177.484 177.584 -0.147 0.000 1.279 179 A CA 0.031 52.056 52.037 -0.020 0.000 0.876 179 A CB 0.912 19.920 19.000 0.013 0.000 1.170 179 A HN 1.417 nan 8.150 nan 0.000 0.520 180 A N 3.847 126.539 122.820 -0.214 0.000 2.610 180 A HA 0.954 5.274 4.320 -0.001 0.000 0.291 180 A C -3.289 174.094 177.584 -0.335 0.000 1.086 180 A CA -1.307 50.400 52.037 -0.549 0.000 0.677 180 A CB 1.547 20.464 19.000 -0.138 0.000 1.278 180 A HN 0.557 nan 8.150 nan 0.000 0.414 181 P HA 0.550 nan 4.420 nan 0.000 0.286 181 P C 0.186 177.544 177.300 0.098 0.000 1.292 181 P CA -0.030 63.092 63.100 0.037 0.000 0.842 181 P CB 0.964 32.661 31.700 -0.005 0.000 1.207 182 E N -0.098 120.146 120.200 0.075 0.000 3.486 182 E HA -0.274 4.076 4.350 -0.001 0.000 0.453 182 E C 0.987 177.550 176.600 -0.061 0.000 1.625 182 E CA 2.072 58.479 56.400 0.011 0.000 1.338 182 E CB -1.826 27.876 29.700 0.004 0.000 1.366 182 E HN 0.734 nan 8.360 nan 0.000 0.423 183 G N -0.206 108.455 108.800 -0.230 0.000 4.637 183 G HA2 0.462 4.421 3.960 -0.001 0.000 0.308 183 G HA3 0.462 4.421 3.960 -0.001 0.000 0.308 183 G C -0.670 173.782 174.900 -0.745 0.000 1.377 183 G CA -0.327 44.527 45.100 -0.410 0.000 1.176 183 G HN 0.149 nan 8.290 nan 0.000 0.601 184 F N 0.944 120.874 119.950 -0.035 0.000 2.577 184 F HA 0.429 4.956 4.527 -0.001 0.000 0.342 184 F C 0.239 176.042 175.800 0.004 0.000 1.479 184 F CA -0.735 57.267 58.000 0.004 0.000 1.110 184 F CB 0.685 39.714 39.000 0.049 0.000 1.306 184 F HN -0.050 nan 8.300 nan 0.000 0.554 185 L N 1.601 122.872 121.223 0.080 0.000 2.360 185 L HA 0.552 4.892 4.340 -0.001 0.000 0.271 185 L C -2.134 174.798 176.870 0.105 0.000 1.057 185 L CA -2.142 52.744 54.840 0.076 0.000 0.803 185 L CB 1.320 43.400 42.059 0.034 0.000 1.207 185 L HN -0.019 nan 8.230 nan 0.000 0.445 186 P HA -0.077 nan 4.420 nan 0.000 0.265 186 P C -0.550 176.826 177.300 0.127 0.000 1.187 186 P CA -0.056 63.167 63.100 0.205 0.000 0.766 186 P CB 0.302 32.089 31.700 0.146 0.000 0.820 187 D N 4.170 124.651 120.400 0.134 0.000 2.658 187 D HA -0.091 4.548 4.640 -0.001 0.000 0.230 187 D C -1.280 174.981 176.300 -0.066 0.000 1.118 187 D CA -0.724 53.249 54.000 -0.046 0.000 0.848 187 D CB 0.593 41.242 40.800 -0.252 0.000 1.160 187 D HN 0.175 nan 8.370 nan 0.000 0.497 188 P HA -0.156 nan 4.420 nan 0.000 0.216 188 P C 1.439 178.719 177.300 -0.033 0.000 1.150 188 P CA 1.196 64.280 63.100 -0.025 0.000 0.837 188 P CB 0.097 31.787 31.700 -0.017 0.000 0.786 189 S N -1.494 114.179 115.700 -0.044 0.000 2.428 189 S HA -0.067 4.403 4.470 -0.001 0.000 0.230 189 S C 1.893 176.472 174.600 -0.035 0.000 1.014 189 S CA 1.009 59.190 58.200 -0.032 0.000 0.957 189 S CB -1.381 61.806 63.200 -0.022 0.000 0.784 189 S HN -0.056 nan 8.310 nan 0.000 0.499 190 V N 2.030 121.893 119.914 -0.086 0.000 2.346 190 V HA 0.021 4.141 4.120 -0.001 0.000 0.244 190 V C 2.901 178.971 176.094 -0.040 0.000 1.037 190 V CA 1.772 64.024 62.300 -0.080 0.000 1.029 190 V CB -0.803 30.831 31.823 -0.315 0.000 0.663 190 V HN 0.504 nan 8.190 nan 0.000 0.454 191 R N 0.386 120.859 120.500 -0.045 0.000 2.091 191 R HA -0.192 4.147 4.340 -0.001 0.000 0.238 191 R C 2.285 178.585 176.300 -0.000 0.000 1.136 191 R CA 1.776 57.873 56.100 -0.005 0.000 0.959 191 R CB -0.433 29.870 30.300 0.005 0.000 0.856 191 R HN 0.484 nan 8.270 nan 0.000 0.437 192 A N 0.828 123.644 122.820 -0.006 0.000 1.865 192 A HA -0.143 4.177 4.320 -0.001 0.000 0.217 192 A C 2.394 179.978 177.584 -0.000 0.000 1.191 192 A CA 1.874 53.910 52.037 -0.002 0.000 0.623 192 A CB -0.918 18.080 19.000 -0.004 0.000 0.826 192 A HN 0.542 nan 8.150 nan 0.000 0.444 193 A N -0.245 122.574 122.820 -0.002 0.000 1.908 193 A HA 0.118 4.438 4.320 -0.001 0.000 0.218 193 A C 2.494 180.077 177.584 -0.002 0.000 1.181 193 A CA 2.246 54.282 52.037 -0.003 0.000 0.627 193 A CB -1.033 17.965 19.000 -0.004 0.000 0.818 193 A HN 1.154 nan 8.150 nan 0.000 0.445 194 A N -0.557 122.265 122.820 0.005 0.000 1.972 194 A HA -0.164 4.156 4.320 -0.001 0.000 0.219 194 A C 1.933 179.520 177.584 0.006 0.000 1.169 194 A CA 1.729 53.770 52.037 0.007 0.000 0.635 194 A CB -0.429 18.581 19.000 0.018 0.000 0.810 194 A HN 0.650 nan 8.150 nan 0.000 0.446 195 E N -0.735 119.470 120.200 0.008 0.000 2.072 195 E HA -0.113 4.236 4.350 -0.001 0.000 0.190 195 E C 2.338 178.942 176.600 0.007 0.000 0.982 195 E CA 0.570 56.977 56.400 0.011 0.000 0.803 195 E CB -0.105 29.603 29.700 0.013 0.000 0.755 195 E HN 0.498 nan 8.360 nan 0.000 0.453 196 R N 0.461 120.962 120.500 0.003 0.000 2.112 196 R HA -0.209 4.130 4.340 -0.001 0.000 0.242 196 R C 2.438 178.737 176.300 -0.002 0.000 1.137 196 R CA 1.777 57.877 56.100 0.001 0.000 0.944 196 R CB -0.263 30.037 30.300 -0.001 0.000 0.857 196 R HN -0.052 nan 8.270 nan 0.000 0.435 197 R N 0.734 121.231 120.500 -0.006 0.000 2.115 197 R HA -0.030 4.309 4.340 -0.001 0.000 0.230 197 R C 1.857 178.149 176.300 -0.013 0.000 1.111 197 R CA 1.655 57.749 56.100 -0.011 0.000 0.976 197 R CB -0.477 29.813 30.300 -0.016 0.000 0.870 197 R HN 0.268 nan 8.270 nan 0.000 0.445 198 A N 0.178 122.993 122.820 -0.008 0.000 1.969 198 A HA -0.151 4.169 4.320 -0.001 0.000 0.218 198 A C 2.023 179.604 177.584 -0.004 0.000 1.169 198 A CA 1.280 53.310 52.037 -0.011 0.000 0.635 198 A CB -0.419 18.582 19.000 0.002 0.000 0.810 198 A HN 0.516 nan 8.150 nan 0.000 0.445 199 Q N -0.185 119.617 119.800 0.003 0.000 2.112 199 Q HA -0.224 4.115 4.340 -0.001 0.000 0.206 199 Q C 1.203 177.204 176.000 0.002 0.000 0.987 199 Q CA 1.707 57.514 55.803 0.006 0.000 0.858 199 Q CB -0.219 28.523 28.738 0.007 0.000 0.905 199 Q HN 0.677 nan 8.270 nan 0.000 0.420 200 D N -0.928 119.470 120.400 -0.004 0.000 2.224 200 D HA -0.094 4.545 4.640 -0.001 0.000 0.205 200 D C 1.768 178.061 176.300 -0.012 0.000 0.965 200 D CA 1.637 55.634 54.000 -0.005 0.000 0.852 200 D CB -0.209 40.587 40.800 -0.006 0.000 0.947 200 D HN 0.375 nan 8.370 nan 0.000 0.494 201 T N -3.718 110.823 114.554 -0.021 0.000 3.040 201 T HA 0.367 4.717 4.350 -0.001 0.000 0.250 201 T C 1.592 176.266 174.700 -0.043 0.000 1.058 201 T CA 0.390 62.469 62.100 -0.035 0.000 0.988 201 T CB 0.405 69.243 68.868 -0.051 0.000 0.993 201 T HN 0.189 nan 8.240 nan 0.000 0.519 202 G N 1.253 110.038 108.800 -0.025 0.000 2.198 202 G HA2 0.018 3.978 3.960 -0.001 0.000 0.257 202 G HA3 0.018 3.978 3.960 -0.001 0.000 0.257 202 G C 0.338 175.218 174.900 -0.033 0.000 1.042 202 G CA 0.100 45.197 45.100 -0.005 0.000 0.791 202 G HN 1.104 nan 8.290 nan 0.000 0.502 203 A N -0.764 122.006 122.820 -0.084 0.000 2.717 203 A HA 1.026 5.346 4.320 -0.001 0.000 0.262 203 A C 0.797 178.407 177.584 0.044 0.000 1.483 203 A CA 0.688 52.598 52.037 -0.211 0.000 0.889 203 A CB 1.044 19.920 19.000 -0.207 0.000 1.604 203 A HN 2.168 nan 8.150 nan 0.000 0.523 204 S N -2.811 112.962 115.700 0.122 0.000 2.588 204 S HA 0.602 5.072 4.470 -0.001 0.000 0.269 204 S C -1.491 173.174 174.600 0.109 0.000 1.157 204 S CA -0.592 57.710 58.200 0.170 0.000 0.824 204 S CB 1.017 64.372 63.200 0.257 0.000 1.126 204 S HN 1.054 nan 8.310 nan 0.000 0.464 205 V N 1.538 121.497 119.914 0.075 0.000 2.540 205 V HA 0.756 4.875 4.120 -0.001 0.000 0.302 205 V C -0.636 175.488 176.094 0.050 0.000 1.035 205 V CA -0.286 62.047 62.300 0.055 0.000 0.873 205 V CB 1.827 33.673 31.823 0.039 0.000 0.992 205 V HN 1.081 nan 8.190 nan 0.000 0.428 206 T N 3.940 118.522 114.554 0.045 0.000 2.879 206 T HA 0.609 4.958 4.350 -0.001 0.000 0.290 206 T C -0.669 174.052 174.700 0.034 0.000 0.993 206 T CA -0.464 61.658 62.100 0.037 0.000 0.975 206 T CB 1.729 70.617 68.868 0.034 0.000 0.981 206 T HN 0.308 nan 8.240 nan 0.000 0.439 207 V N 2.759 122.695 119.914 0.037 0.000 2.495 207 V HA 0.828 4.948 4.120 -0.001 0.000 0.298 207 V C 0.198 176.322 176.094 0.051 0.000 1.031 207 V CA -0.475 61.851 62.300 0.042 0.000 0.871 207 V CB 1.914 33.764 31.823 0.044 0.000 0.988 207 V HN 0.985 nan 8.190 nan 0.000 0.432 208 T N 2.643 117.237 114.554 0.067 0.000 2.883 208 T HA 0.681 5.030 4.350 -0.001 0.000 0.301 208 T C 0.108 174.901 174.700 0.154 0.000 1.158 208 T CA 0.366 62.523 62.100 0.096 0.000 1.007 208 T CB 1.964 70.889 68.868 0.095 0.000 1.186 208 T HN 0.816 nan 8.240 nan 0.000 0.499 209 A N 1.895 124.822 122.820 0.177 0.000 2.535 209 A HA 0.424 4.744 4.320 -0.001 0.000 0.273 209 A C -0.010 177.745 177.584 0.284 0.000 1.267 209 A CA -0.115 52.092 52.037 0.283 0.000 0.940 209 A CB -0.049 19.068 19.000 0.196 0.000 1.101 209 A HN 0.632 nan 8.150 nan 0.000 0.521 210 D N -0.082 120.448 120.400 0.218 0.000 2.462 210 D HA 0.601 5.240 4.640 -0.001 0.000 0.245 210 D C 0.933 177.342 176.300 0.183 0.000 1.122 210 D CA 0.232 54.306 54.000 0.124 0.000 0.864 210 D CB 1.522 42.378 40.800 0.093 0.000 1.098 210 D HN 0.017 nan 8.370 nan 0.000 0.541 211 A N 3.651 126.526 122.820 0.092 0.000 1.902 211 A HA -0.190 4.130 4.320 -0.001 0.000 0.217 211 A C 1.588 179.304 177.584 0.220 0.000 1.181 211 A CA 1.421 53.597 52.037 0.232 0.000 0.623 211 A CB -0.736 18.223 19.000 -0.068 0.000 0.818 211 A HN 0.749 nan 8.150 nan 0.000 0.443 212 H N -0.133 118.964 119.070 0.046 0.000 2.319 212 H HA -0.024 4.532 4.556 -0.000 0.000 0.299 212 H C 2.452 177.825 175.328 0.076 0.000 1.092 212 H CA 1.888 57.960 56.048 0.039 0.000 1.302 212 H CB -0.261 29.499 29.762 -0.003 0.000 1.373 212 H HN 0.516 nan 8.280 nan 0.000 0.497 213 A N 0.696 123.636 122.820 0.200 0.000 1.877 213 A HA -0.097 4.223 4.320 -0.001 0.000 0.216 213 A C 2.559 180.225 177.584 0.137 0.000 1.186 213 A CA 1.641 53.760 52.037 0.136 0.000 0.620 213 A CB -1.137 17.924 19.000 0.103 0.000 0.822 213 A HN 0.476 nan 8.150 nan 0.000 0.443 214 A N -0.009 122.916 122.820 0.175 0.000 1.883 214 A HA 0.111 4.431 4.320 -0.001 0.000 0.217 214 A C 2.524 180.248 177.584 0.233 0.000 1.186 214 A CA 2.290 54.419 52.037 0.154 0.000 0.624 214 A CB -1.140 17.916 19.000 0.093 0.000 0.822 214 A HN 1.149 nan 8.150 nan 0.000 0.444 215 A N -0.161 122.871 122.820 0.353 0.000 1.978 215 A HA 0.306 4.626 4.320 -0.001 0.000 0.220 215 A C 1.588 179.259 177.584 0.144 0.000 1.170 215 A CA 1.229 53.434 52.037 0.280 0.000 0.636 215 A CB -1.117 17.947 19.000 0.107 0.000 0.810 215 A HN 1.271 nan 8.150 nan 0.000 0.448 216 A N -1.061 121.827 122.820 0.114 0.000 2.491 216 A HA 0.451 4.770 4.320 -0.001 0.000 0.261 216 A C 1.634 179.257 177.584 0.065 0.000 1.101 216 A CA 0.522 52.605 52.037 0.077 0.000 0.772 216 A CB -0.866 18.177 19.000 0.072 0.000 1.043 216 A HN 2.056 nan 8.150 nan 0.000 0.501 217 G N 1.196 110.027 108.800 0.052 0.000 2.189 217 G HA2 0.082 4.041 3.960 -0.001 0.000 0.267 217 G HA3 0.082 4.041 3.960 -0.001 0.000 0.267 217 G C 0.652 175.584 174.900 0.053 0.000 0.975 217 G CA 0.582 45.708 45.100 0.044 0.000 0.644 217 G HN 2.182 nan 8.290 nan 0.000 0.537 218 A N -0.224 122.639 122.820 0.073 0.000 2.445 218 A HA 0.533 4.853 4.320 -0.001 0.000 0.242 218 A C 1.125 178.752 177.584 0.072 0.000 1.075 218 A CA 0.865 52.953 52.037 0.086 0.000 0.777 218 A CB 0.346 19.424 19.000 0.130 0.000 1.013 218 A HN 0.206 nan 8.150 nan 0.000 0.493 219 D N 0.073 120.515 120.400 0.069 0.000 2.380 219 D HA 0.164 4.804 4.640 -0.001 0.000 0.212 219 D C -0.245 176.090 176.300 0.058 0.000 1.021 219 D CA 1.041 55.075 54.000 0.056 0.000 0.884 219 D CB 0.624 41.455 40.800 0.051 0.000 1.001 219 D HN 0.234 nan 8.370 nan 0.000 0.506 220 V N 1.786 121.744 119.914 0.074 0.000 2.623 220 V HA 0.342 4.462 4.120 -0.001 0.000 0.304 220 V C -0.760 175.410 176.094 0.127 0.000 1.054 220 V CA -0.783 61.564 62.300 0.079 0.000 0.882 220 V CB 2.411 34.272 31.823 0.062 0.000 1.002 220 V HN -0.138 nan 8.190 nan 0.000 0.424 221 L N 5.189 126.498 121.223 0.142 0.000 2.329 221 L HA 0.852 5.191 4.340 -0.001 0.000 0.279 221 L C -0.447 176.545 176.870 0.203 0.000 1.014 221 L CA -0.337 54.650 54.840 0.245 0.000 0.814 221 L CB 2.074 44.258 42.059 0.209 0.000 1.257 221 L HN 0.469 nan 8.230 nan 0.000 0.424 222 V N 0.847 120.939 119.914 0.296 0.000 2.888 222 V HA 0.812 4.932 4.120 -0.001 0.000 0.309 222 V C -0.322 175.900 176.094 0.214 0.000 1.114 222 V CA -0.494 61.944 62.300 0.231 0.000 0.940 222 V CB 1.992 33.975 31.823 0.266 0.000 1.021 222 V HN 0.803 nan 8.190 nan 0.000 0.426 223 T N 1.369 115.931 114.554 0.013 0.000 2.738 223 T HA 0.702 5.052 4.350 -0.001 0.000 0.292 223 T C -2.157 172.307 174.700 -0.393 0.000 1.122 223 T CA -0.233 61.749 62.100 -0.195 0.000 1.016 223 T CB 2.174 70.942 68.868 -0.167 0.000 1.359 223 T HN 0.950 nan 8.240 nan 0.000 0.515 224 D N -0.520 119.636 120.400 -0.406 0.000 2.599 224 D HA 0.423 5.063 4.640 -0.001 0.000 0.252 224 D C -0.801 175.254 176.300 -0.409 0.000 1.232 224 D CA -0.135 53.611 54.000 -0.422 0.000 0.819 224 D CB 2.288 43.062 40.800 -0.044 0.000 1.401 224 D HN 0.466 nan 8.370 nan 0.000 0.429 225 T N 1.247 115.600 114.554 -0.335 0.000 2.926 225 T HA 0.186 4.536 4.350 -0.001 0.000 0.307 225 T C -0.106 174.395 174.700 -0.333 0.000 1.059 225 T CA -0.127 61.706 62.100 -0.446 0.000 1.122 225 T CB 0.126 68.699 68.868 -0.493 0.000 0.972 225 T HN 0.141 nan 8.240 nan 0.000 0.545 240 K N 3.330 123.696 120.400 -0.056 0.000 2.059 240 K HA -0.056 4.264 4.320 -0.001 0.000 0.212 240 K C 0.026 176.513 176.600 -0.188 0.000 1.050 240 K CA 3.063 59.298 56.287 -0.087 0.000 0.927 240 K CB -1.523 30.947 32.500 -0.050 0.000 0.714 240 K HN 0.558 nan 8.250 nan 0.000 0.447 241 P HA -0.096 nan 4.420 nan 0.000 0.230 241 P C 0.601 177.648 177.300 -0.421 0.000 1.158 241 P CA 1.002 63.881 63.100 -0.367 0.000 0.769 241 P CB -0.047 31.381 31.700 -0.452 0.000 0.807 242 F N 0.406 120.074 119.950 -0.470 0.000 2.512 242 F HA 0.127 4.653 4.527 -0.000 0.000 0.296 242 F C 2.474 177.860 175.800 -0.690 0.000 1.110 242 F CA 0.266 57.746 58.000 -0.867 0.000 1.446 242 F CB -0.690 37.072 39.000 -2.064 0.000 1.092 242 F HN -0.213 nan 8.300 nan 0.000 0.554 243 R N 0.433 120.762 120.500 -0.284 0.000 2.103 243 R HA -0.170 4.170 4.340 -0.001 0.000 0.242 243 R C -0.432 175.903 176.300 0.058 0.000 1.142 243 R CA 1.639 57.724 56.100 -0.024 0.000 0.960 243 R CB -2.278 28.033 30.300 0.018 0.000 0.858 243 R HN 0.278 nan 8.270 nan 0.000 0.439 244 P HA -0.101 nan 4.420 nan 0.000 0.222 244 P C 0.491 177.658 177.300 -0.221 0.000 1.147 244 P CA 1.092 64.093 63.100 -0.165 0.000 0.790 244 P CB -0.066 31.426 31.700 -0.347 0.000 0.780 245 F N -0.959 119.030 119.950 0.066 0.000 2.692 245 F HA 0.158 4.685 4.527 -0.001 0.000 0.303 245 F C 1.326 177.202 175.800 0.125 0.000 1.114 245 F CA -0.350 57.726 58.000 0.127 0.000 1.361 245 F CB -0.601 38.528 39.000 0.215 0.000 1.063 245 F HN -0.093 nan 8.300 nan 0.000 0.550 246 Q N 1.486 121.451 119.800 0.274 0.000 2.337 246 Q HA 0.110 4.450 4.340 -0.001 0.000 0.270 246 Q C -0.595 175.375 176.000 -0.049 0.000 1.002 246 Q CA -0.438 55.503 55.803 0.229 0.000 0.888 246 Q CB 0.747 29.616 28.738 0.219 0.000 1.222 246 Q HN 0.176 nan 8.270 nan 0.000 0.400 247 L N 5.666 126.828 121.223 -0.101 0.000 2.433 247 L HA 0.172 4.512 4.340 -0.001 0.000 0.284 247 L C -0.547 176.243 176.870 -0.133 0.000 1.120 247 L CA 0.431 55.152 54.840 -0.199 0.000 0.879 247 L CB -0.159 41.796 42.059 -0.173 0.000 1.232 247 L HN 0.707 nan 8.230 nan 0.000 0.454 248 N N -0.167 118.447 118.700 -0.143 0.000 2.629 248 N HA 0.376 5.116 4.740 -0.001 0.000 0.279 248 N C 0.567 176.018 175.510 -0.098 0.000 1.344 248 N CA -0.762 52.230 53.050 -0.097 0.000 0.789 248 N CB 0.680 39.125 38.487 -0.070 0.000 1.508 248 N HN 0.061 nan 8.380 nan 0.000 0.516 249 S N -0.521 115.139 115.700 -0.068 0.000 2.374 249 S HA -0.211 4.259 4.470 -0.001 0.000 0.227 249 S C 1.569 176.131 174.600 -0.063 0.000 1.037 249 S CA 1.296 59.462 58.200 -0.056 0.000 1.024 249 S CB -0.447 62.731 63.200 -0.037 0.000 0.861 249 S HN 0.596 nan 8.310 nan 0.000 0.456 250 R N 0.403 120.861 120.500 -0.070 0.000 2.083 250 R HA -0.082 4.258 4.340 -0.001 0.000 0.237 250 R C 2.235 178.461 176.300 -0.123 0.000 1.137 250 R CA 1.328 57.383 56.100 -0.075 0.000 0.951 250 R CB -0.435 29.826 30.300 -0.064 0.000 0.851 250 R HN 0.307 nan 8.270 nan 0.000 0.434 251 L N 0.693 121.807 121.223 -0.182 0.000 2.141 251 L HA -0.133 4.206 4.340 -0.001 0.000 0.209 251 L C 2.182 178.960 176.870 -0.154 0.000 1.094 251 L CA 1.068 55.763 54.840 -0.242 0.000 0.763 251 L CB -0.334 41.521 42.059 -0.340 0.000 0.908 251 L HN 0.243 nan 8.230 nan 0.000 0.437 252 L N -0.997 120.156 121.223 -0.117 0.000 2.240 252 L HA 0.042 4.382 4.340 -0.001 0.000 0.211 252 L C 2.397 179.243 176.870 -0.040 0.000 1.106 252 L CA 1.658 56.456 54.840 -0.070 0.000 0.793 252 L CB -0.726 41.296 42.059 -0.063 0.000 0.927 252 L HN 0.180 nan 8.230 nan 0.000 0.446 253 A N -0.515 122.279 122.820 -0.042 0.000 2.019 253 A HA -0.115 4.205 4.320 -0.001 0.000 0.219 253 A C 2.133 179.709 177.584 -0.012 0.000 1.164 253 A CA 1.696 53.720 52.037 -0.022 0.000 0.644 253 A CB -0.773 18.215 19.000 -0.021 0.000 0.805 253 A HN 0.502 nan 8.150 nan 0.000 0.449 254 L N -0.886 120.324 121.223 -0.021 0.000 2.291 254 L HA 0.081 4.421 4.340 -0.001 0.000 0.214 254 L C 1.670 178.552 176.870 0.019 0.000 1.120 254 L CA 0.211 55.052 54.840 0.001 0.000 0.799 254 L CB -0.654 41.399 42.059 -0.010 0.000 0.925 254 L HN 0.397 nan 8.230 nan 0.000 0.446 255 A N -0.190 122.640 122.820 0.017 0.000 2.259 255 A HA 0.152 4.471 4.320 -0.001 0.000 0.278 255 A C -0.232 177.368 177.584 0.028 0.000 1.107 255 A CA -0.516 51.542 52.037 0.035 0.000 0.828 255 A CB 0.151 19.176 19.000 0.042 0.000 1.111 255 A HN 0.154 nan 8.150 nan 0.000 0.498 256 D N -0.488 119.932 120.400 0.033 0.000 2.474 256 D HA 0.061 4.701 4.640 -0.001 0.000 0.232 256 D C 1.558 177.870 176.300 0.020 0.000 1.177 256 D CA 1.186 55.202 54.000 0.027 0.000 0.876 256 D CB 0.644 41.462 40.800 0.030 0.000 1.208 256 D HN 0.446 nan 8.370 nan 0.000 0.464 257 S N 1.203 116.912 115.700 0.016 0.000 2.453 257 S HA -0.118 4.352 4.470 -0.001 0.000 0.231 257 S C 0.824 175.431 174.600 0.011 0.000 1.005 257 S CA 0.533 58.739 58.200 0.012 0.000 0.949 257 S CB 0.145 63.351 63.200 0.010 0.000 0.774 257 S HN 0.502 nan 8.310 nan 0.000 0.510 258 D N 1.914 122.323 120.400 0.015 0.000 2.363 258 D HA 0.427 5.067 4.640 -0.001 0.000 0.214 258 D C 0.553 176.863 176.300 0.017 0.000 1.093 258 D CA 0.103 54.111 54.000 0.014 0.000 0.837 258 D CB 0.283 41.092 40.800 0.015 0.000 0.948 258 D HN 0.517 nan 8.370 nan 0.000 0.507 259 A N 1.363 124.195 122.820 0.020 0.000 2.531 259 A HA 0.315 4.635 4.320 -0.001 0.000 0.236 259 A C 0.637 178.232 177.584 0.019 0.000 1.062 259 A CA -0.038 52.014 52.037 0.026 0.000 0.760 259 A CB -0.139 18.881 19.000 0.033 0.000 0.995 259 A HN 0.356 nan 8.150 nan 0.000 0.501 260 I N -0.071 120.513 120.570 0.022 0.000 2.707 260 I HA 0.769 4.938 4.170 -0.001 0.000 0.309 260 I C -0.677 175.449 176.117 0.016 0.000 1.001 260 I CA -1.062 60.245 61.300 0.011 0.000 1.129 260 I CB 1.892 39.897 38.000 0.008 0.000 1.308 260 I HN 0.255 nan 8.210 nan 0.000 0.466 261 V N 5.458 125.369 119.914 -0.006 0.000 2.513 261 V HA 0.517 4.636 4.120 -0.001 0.000 0.299 261 V C 0.063 176.146 176.094 -0.018 0.000 1.035 261 V CA -0.509 61.788 62.300 -0.006 0.000 0.889 261 V CB 1.582 33.385 31.823 -0.034 0.000 0.988 261 V HN 0.553 nan 8.190 nan 0.000 0.440 262 L N 4.278 125.509 121.223 0.014 0.000 2.354 262 L HA 0.701 5.040 4.340 -0.001 0.000 0.269 262 L C -0.835 176.060 176.870 0.042 0.000 1.005 262 L CA -0.666 54.180 54.840 0.010 0.000 0.819 262 L CB 2.124 44.196 42.059 0.022 0.000 1.311 262 L HN 0.624 nan 8.230 nan 0.000 0.423 263 H N 0.949 119.969 119.070 -0.082 0.000 3.083 263 H HA 0.127 4.683 4.556 -0.001 0.000 0.339 263 H C 0.182 175.468 175.328 -0.069 0.000 1.020 263 H CA -0.793 55.206 56.048 -0.081 0.000 1.360 263 H CB 2.133 31.803 29.762 -0.153 0.000 1.811 263 H HN 0.911 nan 8.280 nan 0.000 0.493 264 C N 3.803 123.148 119.300 0.074 0.000 2.448 264 C HA 0.333 4.792 4.460 -0.001 0.000 0.280 264 C C 1.003 176.099 174.990 0.177 0.000 1.398 264 C CA -0.127 58.952 59.018 0.102 0.000 1.774 264 C CB -1.407 26.378 27.740 0.074 0.000 1.888 264 C HN 0.732 nan 8.230 nan 0.000 0.519 265 L N -1.361 120.073 121.223 0.351 0.000 0.584 265 L HA -0.070 4.269 4.340 -0.001 0.000 0.356 265 L C -2.254 174.680 176.870 0.107 0.000 0.992 265 L CA -0.083 54.862 54.840 0.175 0.000 1.223 265 L CB -1.229 40.875 42.059 0.076 0.000 0.009 265 L HN 0.131 nan 8.230 nan 0.000 0.091 266 P HA 0.383 nan 4.420 nan 0.000 0.274 266 P C -0.925 176.300 177.300 -0.125 0.000 1.237 266 P CA -0.319 62.771 63.100 -0.017 0.000 0.793 266 P CB 1.131 32.840 31.700 0.016 0.000 0.977 267 A N 1.766 124.436 122.820 -0.250 0.000 2.324 267 A HA 0.420 4.740 4.320 -0.001 0.000 0.330 267 A C -0.565 176.952 177.584 -0.112 0.000 1.165 267 A CA -0.658 51.129 52.037 -0.415 0.000 0.813 267 A CB 0.240 18.815 19.000 -0.709 0.000 1.197 267 A HN 0.665 nan 8.150 nan 0.000 0.484 268 H N 2.020 120.980 119.070 -0.183 0.000 2.700 268 H HA 0.223 4.779 4.556 -0.001 0.000 0.269 268 H C -0.170 175.063 175.328 -0.158 0.000 1.222 268 H CA -0.669 55.293 56.048 -0.143 0.000 1.254 268 H CB 0.524 30.206 29.762 -0.133 0.000 1.413 268 H HN 0.626 nan 8.280 nan 0.000 0.507 269 R N 1.071 121.562 120.500 -0.015 0.000 2.585 269 R HA 0.056 4.395 4.340 -0.001 0.000 0.275 269 R C 1.022 177.300 176.300 -0.036 0.000 1.018 269 R CA 1.179 57.248 56.100 -0.053 0.000 1.072 269 R CB 0.395 30.671 30.300 -0.040 0.000 0.953 269 R HN 1.034 nan 8.270 nan 0.000 0.419 270 G N 1.906 110.678 108.800 -0.046 0.000 2.254 270 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.225 270 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.225 270 G C 0.242 175.138 174.900 -0.007 0.000 1.003 270 G CA 0.336 45.425 45.100 -0.018 0.000 0.622 270 G HN 0.609 nan 8.290 nan 0.000 0.507 271 D N 0.598 120.959 120.400 -0.066 0.000 2.541 271 D HA 0.116 4.755 4.640 -0.001 0.000 0.261 271 D C 2.336 178.417 176.300 -0.364 0.000 1.415 271 D CA 0.807 54.736 54.000 -0.118 0.000 1.059 271 D CB -0.615 40.064 40.800 -0.203 0.000 0.971 271 D HN 0.419 nan 8.370 nan 0.000 0.308 272 E N 1.019 120.694 120.200 -0.874 0.000 2.274 272 E HA -0.052 4.298 4.350 -0.001 0.000 0.194 272 E C 0.793 177.222 176.600 -0.285 0.000 0.996 272 E CA 0.461 56.316 56.400 -0.907 0.000 0.840 272 E CB 0.550 29.489 29.700 -1.268 0.000 0.772 272 E HN 0.373 nan 8.360 nan 0.000 0.491 273 I N 0.664 121.110 120.570 -0.207 0.000 3.006 273 I HA 0.218 4.387 4.170 -0.001 0.000 0.306 273 I C -0.879 175.177 176.117 -0.102 0.000 1.250 273 I CA -0.586 60.644 61.300 -0.116 0.000 0.996 273 I CB 2.305 40.262 38.000 -0.073 0.000 1.261 273 I HN 0.027 nan 8.210 nan 0.000 0.442 274 T N 0.358 114.866 114.554 -0.078 0.000 2.952 274 T HA 0.375 4.724 4.350 -0.001 0.000 0.286 274 T C 0.417 175.083 174.700 -0.057 0.000 1.024 274 T CA -0.572 61.493 62.100 -0.058 0.000 1.029 274 T CB 1.521 70.364 68.868 -0.041 0.000 1.094 274 T HN 0.537 nan 8.240 nan 0.000 0.515 275 D N 0.871 121.248 120.400 -0.038 0.000 2.123 275 D HA -0.072 4.568 4.640 -0.001 0.000 0.196 275 D C 2.304 178.591 176.300 -0.021 0.000 0.992 275 D CA 1.780 55.765 54.000 -0.025 0.000 0.833 275 D CB -0.687 40.107 40.800 -0.011 0.000 0.954 275 D HN 0.753 nan 8.370 nan 0.000 0.455 276 A N 0.327 123.134 122.820 -0.023 0.000 1.933 276 A HA -0.110 4.210 4.320 -0.001 0.000 0.218 276 A C 2.482 180.049 177.584 -0.029 0.000 1.175 276 A CA 1.164 53.189 52.037 -0.020 0.000 0.628 276 A CB -0.436 18.552 19.000 -0.019 0.000 0.814 276 A HN 0.168 nan 8.150 nan 0.000 0.444 277 V N -0.834 119.054 119.914 -0.045 0.000 2.379 277 V HA -0.157 3.963 4.120 -0.001 0.000 0.243 277 V C 2.513 178.563 176.094 -0.073 0.000 1.035 277 V CA 1.890 64.156 62.300 -0.057 0.000 1.035 277 V CB -0.554 31.228 31.823 -0.068 0.000 0.673 277 V HN 0.682 nan 8.190 nan 0.000 0.457 278 M N 0.048 119.594 119.600 -0.090 0.000 2.229 278 M HA -0.127 4.352 4.480 -0.001 0.000 0.264 278 M C 1.160 177.393 176.300 -0.111 0.000 1.063 278 M CA 1.694 56.908 55.300 -0.143 0.000 1.114 278 M CB -0.084 32.413 32.600 -0.173 0.000 1.387 278 M HN 0.260 nan 8.290 nan 0.000 0.420 279 D N 0.499 120.884 120.400 -0.025 0.000 2.349 279 D HA 0.182 4.821 4.640 -0.001 0.000 0.214 279 D C 0.820 177.140 176.300 0.033 0.000 1.063 279 D CA 0.270 54.299 54.000 0.048 0.000 0.847 279 D CB 0.010 40.853 40.800 0.072 0.000 0.933 279 D HN 0.423 nan 8.370 nan 0.000 0.513 280 G N 1.691 110.489 108.800 -0.004 0.000 2.621 280 G HA2 0.229 4.189 3.960 -0.001 0.000 0.271 280 G HA3 0.229 4.189 3.960 -0.001 0.000 0.271 280 G C -1.351 173.551 174.900 0.002 0.000 1.236 280 G CA -0.755 44.344 45.100 -0.001 0.000 0.958 280 G HN -0.092 nan 8.290 nan 0.000 0.512 281 P HA 0.056 nan 4.420 nan 0.000 0.236 281 P C 1.287 178.587 177.300 0.000 0.000 1.177 281 P CA 1.003 64.109 63.100 0.010 0.000 0.773 281 P CB 0.403 32.110 31.700 0.011 0.000 0.878 282 A N -0.113 122.700 122.820 -0.011 0.000 2.123 282 A HA 0.059 4.379 4.320 -0.001 0.000 0.214 282 A C 1.512 179.076 177.584 -0.033 0.000 1.152 282 A CA 0.271 52.298 52.037 -0.016 0.000 0.728 282 A CB -0.792 18.197 19.000 -0.018 0.000 0.814 282 A HN 0.274 nan 8.150 nan 0.000 0.464 283 S N -0.316 115.351 115.700 -0.055 0.000 2.549 283 S HA 0.452 4.922 4.470 -0.001 0.000 0.279 283 S C 0.536 175.071 174.600 -0.108 0.000 1.321 283 S CA 0.170 58.304 58.200 -0.111 0.000 1.054 283 S CB 0.956 64.047 63.200 -0.182 0.000 0.899 283 S HN 0.894 nan 8.310 nan 0.000 0.497 284 A N 4.486 127.229 122.820 -0.128 0.000 2.610 284 A HA 0.386 4.706 4.320 -0.001 0.000 0.291 284 A C 1.168 178.669 177.584 -0.138 0.000 1.116 284 A CA -0.280 51.706 52.037 -0.086 0.000 0.963 284 A CB 0.013 18.992 19.000 -0.034 0.000 1.220 284 A HN 0.684 nan 8.150 nan 0.000 0.530 285 V N -1.309 118.407 119.914 -0.331 0.000 2.515 285 V HA -0.243 3.876 4.120 -0.001 0.000 0.250 285 V C 2.020 177.927 176.094 -0.312 0.000 1.058 285 V CA 1.973 64.019 62.300 -0.423 0.000 1.064 285 V CB -0.822 30.560 31.823 -0.734 0.000 0.675 285 V HN 0.874 nan 8.190 nan 0.000 0.461 286 W N -0.163 121.133 121.300 -0.005 0.000 2.441 286 W HA -0.048 4.612 4.660 -0.001 0.000 0.302 286 W C 2.277 178.794 176.519 -0.004 0.000 1.191 286 W CA 0.345 57.682 57.345 -0.013 0.000 1.327 286 W CB -0.444 29.005 29.460 -0.017 0.000 1.128 286 W HN 0.176 nan 8.180 nan 0.000 0.522 287 D N 0.540 121.060 120.400 0.200 0.000 2.182 287 D HA -0.206 4.433 4.640 -0.001 0.000 0.201 287 D C 1.724 178.073 176.300 0.081 0.000 0.986 287 D CA 1.419 55.493 54.000 0.123 0.000 0.847 287 D CB -0.505 40.347 40.800 0.088 0.000 0.942 287 D HN 0.355 nan 8.370 nan 0.000 0.467 288 E N 0.297 120.525 120.200 0.047 0.000 2.106 288 E HA -0.131 4.219 4.350 -0.001 0.000 0.192 288 E C 1.935 178.554 176.600 0.032 0.000 0.984 288 E CA 0.863 57.275 56.400 0.021 0.000 0.806 288 E CB 0.123 29.816 29.700 -0.012 0.000 0.750 288 E HN 0.188 nan 8.360 nan 0.000 0.458 289 A N 1.063 123.925 122.820 0.070 0.000 1.897 289 A HA -0.180 4.139 4.320 -0.001 0.000 0.215 289 A C 2.006 179.605 177.584 0.025 0.000 1.181 289 A CA 1.365 53.444 52.037 0.069 0.000 0.620 289 A CB -0.494 18.587 19.000 0.136 0.000 0.821 289 A HN 0.359 nan 8.150 nan 0.000 0.443 290 E N 0.192 120.417 120.200 0.041 0.000 2.097 290 E HA -0.269 4.081 4.350 -0.001 0.000 0.196 290 E C 1.438 177.959 176.600 -0.132 0.000 1.000 290 E CA 1.607 57.995 56.400 -0.020 0.000 0.804 290 E CB -0.154 29.587 29.700 0.070 0.000 0.740 290 E HN 0.541 nan 8.360 nan 0.000 0.454 291 N N 0.371 119.052 118.700 -0.032 0.000 2.396 291 N HA -0.086 4.653 4.740 -0.001 0.000 0.180 291 N C 1.551 176.998 175.510 -0.106 0.000 1.028 291 N CA 0.429 53.467 53.050 -0.020 0.000 0.893 291 N CB -0.174 38.344 38.487 0.051 0.000 0.967 291 N HN 0.151 nan 8.380 nan 0.000 0.440 292 R N 0.814 121.247 120.500 -0.113 0.000 2.119 292 R HA -0.146 4.194 4.340 -0.001 0.000 0.246 292 R C 2.060 178.216 176.300 -0.240 0.000 1.146 292 R CA 0.683 56.696 56.100 -0.145 0.000 0.962 292 R CB -1.072 29.175 30.300 -0.088 0.000 0.863 292 R HN 0.271 nan 8.270 nan 0.000 0.442 293 L N 0.696 121.746 121.223 -0.288 0.000 1.955 293 L HA -0.213 4.127 4.340 -0.001 0.000 0.213 293 L C 2.502 179.206 176.870 -0.276 0.000 1.072 293 L CA 1.913 56.555 54.840 -0.330 0.000 0.755 293 L CB -0.610 41.211 42.059 -0.397 0.000 0.888 293 L HN 0.221 nan 8.230 nan 0.000 0.432 294 H N -0.328 118.708 119.070 -0.056 0.000 2.321 294 H HA -0.019 4.536 4.556 -0.001 0.000 0.300 294 H C 2.123 177.413 175.328 -0.063 0.000 1.087 294 H CA 1.415 57.436 56.048 -0.045 0.000 1.319 294 H CB -0.823 28.923 29.762 -0.026 0.000 1.379 294 H HN 0.546 nan 8.280 nan 0.000 0.501 295 A N 1.034 123.860 122.820 0.010 0.000 2.014 295 A HA -0.127 4.192 4.320 -0.001 0.000 0.218 295 A C 2.327 179.852 177.584 -0.098 0.000 1.163 295 A CA 1.038 53.049 52.037 -0.043 0.000 0.652 295 A CB -0.295 18.675 19.000 -0.051 0.000 0.808 295 A HN 0.406 nan 8.150 nan 0.000 0.449 296 Q N -0.514 119.183 119.800 -0.172 0.000 2.245 296 Q HA -0.037 4.303 4.340 -0.001 0.000 0.201 296 Q C 1.942 177.873 176.000 -0.116 0.000 0.955 296 Q CA 1.003 56.657 55.803 -0.248 0.000 0.870 296 Q CB -0.048 28.258 28.738 -0.720 0.000 0.945 296 Q HN 0.564 nan 8.270 nan 0.000 0.461 297 K N 0.399 120.755 120.400 -0.073 0.000 2.026 297 K HA -0.111 4.209 4.320 -0.001 0.000 0.208 297 K C 2.062 178.682 176.600 0.034 0.000 1.048 297 K CA 1.212 57.504 56.287 0.009 0.000 0.929 297 K CB -0.124 32.398 32.500 0.037 0.000 0.713 297 K HN 0.135 nan 8.250 nan 0.000 0.439 298 A N 1.252 124.084 122.820 0.019 0.000 1.969 298 A HA -0.142 4.178 4.320 -0.001 0.000 0.218 298 A C 2.032 179.641 177.584 0.042 0.000 1.169 298 A CA 1.040 53.095 52.037 0.030 0.000 0.635 298 A CB -0.388 18.612 19.000 -0.001 0.000 0.810 298 A HN 0.282 nan 8.150 nan 0.000 0.445 299 L N -0.390 120.823 121.223 -0.017 0.000 2.027 299 L HA -0.058 4.281 4.340 -0.001 0.000 0.206 299 L C 2.231 179.157 176.870 0.094 0.000 1.074 299 L CA 1.635 56.447 54.840 -0.047 0.000 0.745 299 L CB -0.506 41.457 42.059 -0.160 0.000 0.898 299 L HN 0.358 nan 8.230 nan 0.000 0.433 300 L N -1.308 119.981 121.223 0.109 0.000 2.012 300 L HA -0.252 4.087 4.340 -0.001 0.000 0.210 300 L C 2.471 179.411 176.870 0.116 0.000 1.073 300 L CA 1.468 56.388 54.840 0.133 0.000 0.748 300 L CB -0.721 41.421 42.059 0.139 0.000 0.891 300 L HN 0.145 nan 8.230 nan 0.000 0.431 301 V N -1.367 118.612 119.914 0.109 0.000 2.287 301 V HA -0.329 3.790 4.120 -0.001 0.000 0.248 301 V C 2.076 178.226 176.094 0.093 0.000 1.053 301 V CA 2.161 64.513 62.300 0.086 0.000 1.027 301 V CB -0.673 31.198 31.823 0.080 0.000 0.646 301 V HN 0.605 nan 8.190 nan 0.000 0.447 302 W N 0.420 121.697 121.300 -0.039 0.000 2.333 302 W HA -0.200 4.460 4.660 -0.001 0.000 0.316 302 W C 2.255 178.746 176.519 -0.047 0.000 1.215 302 W CA 1.990 59.304 57.345 -0.051 0.000 1.278 302 W CB -0.331 29.080 29.460 -0.081 0.000 1.154 302 W HN 0.144 nan 8.180 nan 0.000 0.486 303 L N -0.080 121.276 121.223 0.222 0.000 2.017 303 L HA -0.264 4.075 4.340 -0.001 0.000 0.208 303 L C 2.532 179.354 176.870 -0.082 0.000 1.073 303 L CA 1.364 56.243 54.840 0.065 0.000 0.745 303 L CB -1.220 40.936 42.059 0.161 0.000 0.894 303 L HN 0.040 nan 8.230 nan 0.000 0.432 304 L N -0.009 121.197 121.223 -0.028 0.000 2.079 304 L HA -0.220 4.120 4.340 -0.001 0.000 0.210 304 L C 2.656 179.466 176.870 -0.100 0.000 1.081 304 L CA 1.633 56.447 54.840 -0.043 0.000 0.752 304 L CB -0.618 41.439 42.059 -0.003 0.000 0.896 304 L HN 0.456 nan 8.230 nan 0.000 0.433 305 E N -0.051 120.059 120.200 -0.150 0.000 2.482 305 E HA -0.169 4.181 4.350 -0.001 0.000 0.196 305 E C 1.783 178.230 176.600 -0.254 0.000 1.047 305 E CA 0.465 56.757 56.400 -0.180 0.000 0.869 305 E CB 0.038 29.637 29.700 -0.169 0.000 0.836 305 E HN 0.406 nan 8.360 nan 0.000 0.520 306 R N 0.266 120.567 120.500 -0.332 0.000 2.397 306 R HA 0.264 4.603 4.340 -0.001 0.000 0.241 306 R C -0.266 175.896 176.300 -0.230 0.000 0.914 306 R CA -0.011 55.872 56.100 -0.362 0.000 1.071 306 R CB 0.982 30.903 30.300 -0.632 0.000 1.116 306 R HN -0.019 nan 8.270 nan 0.000 0.524 307 S N 0.000 115.599 115.700 -0.169 0.000 2.498 307 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 307 S CA 0.000 58.127 58.200 -0.122 0.000 1.107 307 S CB 0.000 63.133 63.200 -0.112 0.000 0.593 307 S HN 0.000 nan 8.310 nan 0.000 0.517