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 1rqj_1_A DATA FIRST_RESID 22 DATA SEQUENCE MDFPQQLEAC VKQANQALSR FIAPLPFQNT PVVETMQYGA LLGGKRLRPF DATA SEQUENCE LVYATGHMFG VSTNTLDAPA AAVECIHAYS LIHDDLPAMD DDDLRRGLPT DATA SEQUENCE CHVKFGEANA ILAGDALQTL AFSILSDADM PEVSDRDRIS MISELASASG DATA SEQUENCE IAGMCGGQAL DLDAEGKHVP LDALERIHRH KTGALIRAAV RLGALSAGDK DATA SEQUENCE GRRALPVLDK YAESIGLAFQ VQDDILDVVG DTATLGKRQG ADQQLGKSTY DATA SEQUENCE PALLGLEQAR KKARDLIDDA RQSLKQLAEQ SLDTSALEAL ADYIIQRNK 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 22 M HA 0.000 nan 4.480 nan 0.000 0.227 22 M C 0.000 176.359 176.300 0.099 0.000 1.140 22 M CA 0.000 55.342 55.300 0.071 0.000 0.988 22 M CB 0.000 32.623 32.600 0.038 0.000 1.302 23 D N 1.262 121.713 120.400 0.086 0.000 2.411 23 D HA 0.152 4.792 4.640 -0.000 0.000 0.225 23 D C 0.206 176.575 176.300 0.116 0.000 1.156 23 D CA -0.095 53.957 54.000 0.086 0.000 0.874 23 D CB 0.861 41.684 40.800 0.037 0.000 1.034 23 D HN 0.238 nan 8.370 nan 0.000 0.502 24 F N 5.520 125.465 119.950 -0.008 0.000 2.113 24 F HA 0.028 4.555 4.527 -0.000 0.000 0.297 24 F C -1.062 174.700 175.800 -0.065 0.000 1.103 24 F CA 0.552 58.537 58.000 -0.025 0.000 1.248 24 F CB -0.896 38.061 39.000 -0.071 0.000 0.999 24 F HN 0.378 nan 8.300 nan 0.000 0.475 25 P HA -0.218 nan 4.420 nan 0.000 0.216 25 P C 1.444 178.643 177.300 -0.169 0.000 1.150 25 P CA 1.940 64.934 63.100 -0.175 0.000 0.843 25 P CB -0.172 31.496 31.700 -0.052 0.000 0.787 26 Q N -1.067 118.671 119.800 -0.103 0.000 2.119 26 Q HA -0.164 4.176 4.340 -0.000 0.000 0.201 26 Q C 2.259 178.195 176.000 -0.107 0.000 0.972 26 Q CA 1.001 56.755 55.803 -0.083 0.000 0.847 26 Q CB -0.320 28.390 28.738 -0.046 0.000 0.903 26 Q HN 0.388 nan 8.270 nan 0.000 0.433 27 Q N 0.515 120.235 119.800 -0.133 0.000 2.046 27 Q HA -0.098 4.242 4.340 -0.000 0.000 0.200 27 Q C 2.297 178.239 176.000 -0.097 0.000 0.975 27 Q CA 0.951 56.686 55.803 -0.114 0.000 0.836 27 Q CB -0.265 28.451 28.738 -0.037 0.000 0.896 27 Q HN 0.411 nan 8.270 nan 0.000 0.428 28 L N 0.674 121.747 121.223 -0.249 0.000 2.012 28 L HA -0.247 4.093 4.340 -0.000 0.000 0.210 28 L C 2.531 179.360 176.870 -0.068 0.000 1.073 28 L CA 1.646 56.380 54.840 -0.176 0.000 0.748 28 L CB -0.424 41.356 42.059 -0.466 0.000 0.891 28 L HN 0.234 nan 8.230 nan 0.000 0.431 29 E N 0.383 120.524 120.200 -0.097 0.000 2.107 29 E HA -0.170 4.180 4.350 -0.000 0.000 0.191 29 E C 2.066 178.638 176.600 -0.048 0.000 0.982 29 E CA 1.324 57.691 56.400 -0.054 0.000 0.809 29 E CB -0.096 29.572 29.700 -0.054 0.000 0.756 29 E HN 0.346 nan 8.360 nan 0.000 0.459 30 A N 0.466 123.244 122.820 -0.071 0.000 1.908 30 A HA -0.243 4.077 4.320 -0.000 0.000 0.218 30 A C 2.664 180.186 177.584 -0.102 0.000 1.181 30 A CA 1.654 53.637 52.037 -0.090 0.000 0.627 30 A CB -1.455 17.477 19.000 -0.114 0.000 0.818 30 A HN 0.575 nan 8.150 nan 0.000 0.445 31 C N -1.046 118.204 119.300 -0.084 0.000 2.429 31 C HA -0.040 4.420 4.460 -0.000 0.000 0.277 31 C C 2.682 177.701 174.990 0.048 0.000 1.262 31 C CA 1.246 60.236 59.018 -0.046 0.000 1.733 31 C CB -1.434 26.347 27.740 0.068 0.000 2.010 31 C HN 0.413 nan 8.230 nan 0.000 0.483 32 V N 1.237 121.184 119.914 0.054 0.000 2.332 32 V HA -0.238 3.882 4.120 -0.000 0.000 0.248 32 V C 2.635 178.753 176.094 0.040 0.000 1.055 32 V CA 2.379 64.718 62.300 0.063 0.000 1.038 32 V CB -0.680 31.170 31.823 0.045 0.000 0.651 32 V HN 0.582 nan 8.190 nan 0.000 0.450 33 K N -0.487 119.915 120.400 0.004 0.000 2.025 33 K HA -0.239 4.081 4.320 -0.000 0.000 0.207 33 K C 2.278 178.870 176.600 -0.012 0.000 1.049 33 K CA 1.653 57.934 56.287 -0.009 0.000 0.933 33 K CB -0.208 32.274 32.500 -0.029 0.000 0.714 33 K HN 0.362 nan 8.250 nan 0.000 0.438 34 Q N 1.058 120.832 119.800 -0.044 0.000 2.020 34 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 34 Q C 1.886 177.923 176.000 0.061 0.000 0.982 34 Q CA 2.121 57.885 55.803 -0.065 0.000 0.838 34 Q CB -0.324 28.252 28.738 -0.270 0.000 0.899 34 Q HN 0.301 nan 8.270 nan 0.000 0.423 35 A N 0.282 123.193 122.820 0.151 0.000 1.933 35 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 35 A C 1.913 179.577 177.584 0.133 0.000 1.175 35 A CA 1.651 53.823 52.037 0.225 0.000 0.628 35 A CB -0.727 18.418 19.000 0.243 0.000 0.814 35 A HN 0.477 nan 8.150 nan 0.000 0.444 36 N N -0.393 118.359 118.700 0.087 0.000 2.142 36 N HA -0.172 4.568 4.740 -0.000 0.000 0.186 36 N C 1.868 177.399 175.510 0.034 0.000 1.023 36 N CA 1.550 54.635 53.050 0.059 0.000 0.852 36 N CB -0.484 38.027 38.487 0.041 0.000 0.998 36 N HN 0.754 nan 8.380 nan 0.000 0.424 37 Q N 0.409 120.218 119.800 0.015 0.000 2.050 37 Q HA -0.077 4.263 4.340 -0.000 0.000 0.202 37 Q C 1.891 177.854 176.000 -0.061 0.000 0.980 37 Q CA 1.723 57.512 55.803 -0.024 0.000 0.840 37 Q CB -0.100 28.618 28.738 -0.032 0.000 0.898 37 Q HN 0.358 nan 8.270 nan 0.000 0.424 38 A N 0.745 123.554 122.820 -0.019 0.000 1.865 38 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 38 A C 2.075 179.632 177.584 -0.045 0.000 1.191 38 A CA 1.488 53.489 52.037 -0.061 0.000 0.623 38 A CB -0.937 18.161 19.000 0.164 0.000 0.826 38 A HN 0.462 nan 8.150 nan 0.000 0.444 39 L N -0.366 120.925 121.223 0.114 0.000 2.012 39 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 39 L C 2.920 179.843 176.870 0.088 0.000 1.073 39 L CA 1.666 56.608 54.840 0.170 0.000 0.748 39 L CB -0.409 41.727 42.059 0.129 0.000 0.891 39 L HN 0.354 nan 8.230 nan 0.000 0.431 40 S N -0.606 115.104 115.700 0.018 0.000 2.382 40 S HA -0.188 4.281 4.470 -0.000 0.000 0.228 40 S C 2.016 176.584 174.600 -0.053 0.000 1.027 40 S CA 1.246 59.444 58.200 -0.004 0.000 0.991 40 S CB -0.234 62.958 63.200 -0.012 0.000 0.823 40 S HN 0.354 nan 8.310 nan 0.000 0.469 41 R N -0.070 120.327 120.500 -0.172 0.000 2.115 41 R HA 0.070 4.410 4.340 -0.000 0.000 0.230 41 R C 1.723 177.875 176.300 -0.247 0.000 1.111 41 R CA 1.210 57.148 56.100 -0.269 0.000 0.976 41 R CB -0.314 29.715 30.300 -0.451 0.000 0.870 41 R HN 0.431 nan 8.270 nan 0.000 0.445 42 F N -0.263 119.696 119.950 0.014 0.000 2.456 42 F HA 0.016 4.543 4.527 -0.000 0.000 0.298 42 F C 1.947 177.754 175.800 0.011 0.000 1.104 42 F CA 0.439 58.445 58.000 0.010 0.000 1.435 42 F CB 0.070 39.074 39.000 0.007 0.000 1.078 42 F HN -0.064 nan 8.300 nan 0.000 0.546 43 I N -0.401 120.262 120.570 0.155 0.000 2.584 43 I HA -0.129 4.041 4.170 -0.000 0.000 0.255 43 I C 2.559 178.712 176.117 0.060 0.000 1.145 43 I CA 0.667 62.027 61.300 0.101 0.000 1.462 43 I CB -0.360 37.689 38.000 0.083 0.000 1.102 43 I HN 0.061 nan 8.210 nan 0.000 0.433 44 A N 1.763 124.603 122.820 0.034 0.000 1.933 44 A HA -0.092 4.228 4.320 -0.000 0.000 0.218 44 A C -0.197 177.393 177.584 0.009 0.000 1.175 44 A CA 1.452 53.496 52.037 0.012 0.000 0.628 44 A CB -1.833 17.161 19.000 -0.011 0.000 0.814 44 A HN 0.305 nan 8.150 nan 0.000 0.444 45 P HA 0.130 nan 4.420 nan 0.000 0.245 45 P C 0.076 177.373 177.300 -0.005 0.000 1.212 45 P CA 0.231 63.335 63.100 0.007 0.000 0.774 45 P CB -0.135 31.580 31.700 0.024 0.000 0.999 46 L N 1.883 123.112 121.223 0.010 0.000 2.439 46 L HA 0.206 4.546 4.340 -0.000 0.000 0.269 46 L C -1.629 175.202 176.870 -0.065 0.000 1.179 46 L CA -1.934 52.906 54.840 -0.001 0.000 0.828 46 L CB -0.272 41.814 42.059 0.046 0.000 1.106 46 L HN -0.079 nan 8.230 nan 0.000 0.467 47 P HA 0.136 nan 4.420 nan 0.000 0.275 47 P C -0.385 176.727 177.300 -0.313 0.000 1.266 47 P CA -0.301 62.528 63.100 -0.452 0.000 0.793 47 P CB 0.369 31.524 31.700 -0.908 0.000 1.074 48 F N -3.934 116.022 119.950 0.010 0.000 3.043 48 F HA -0.178 4.349 4.527 -0.000 0.000 0.290 48 F C 0.676 176.481 175.800 0.009 0.000 0.844 48 F CA 0.413 58.418 58.000 0.008 0.000 1.184 48 F CB -2.824 36.179 39.000 0.005 0.000 1.246 48 F HN 0.234 nan 8.300 nan 0.000 0.536 49 Q N 1.513 121.366 119.800 0.089 0.000 2.349 49 Q HA 0.097 4.437 4.340 -0.000 0.000 0.287 49 Q C 1.151 177.200 176.000 0.081 0.000 1.044 49 Q CA 0.531 56.376 55.803 0.069 0.000 0.918 49 Q CB 0.229 28.986 28.738 0.032 0.000 1.242 49 Q HN 0.491 nan 8.270 nan 0.000 0.405 50 N N -0.462 118.282 118.700 0.074 0.000 2.747 50 N HA -0.155 4.585 4.740 -0.000 0.000 0.249 50 N C -0.406 175.154 175.510 0.082 0.000 1.107 50 N CA 1.364 54.459 53.050 0.074 0.000 0.707 50 N CB -1.723 36.801 38.487 0.062 0.000 1.054 50 N HN 0.748 nan 8.380 nan 0.000 0.555 51 T N -4.197 110.410 114.554 0.090 0.000 2.940 51 T HA 0.569 4.919 4.350 -0.000 0.000 0.288 51 T C -1.835 172.892 174.700 0.045 0.000 1.033 51 T CA -1.814 60.331 62.100 0.075 0.000 1.033 51 T CB 3.088 72.008 68.868 0.087 0.000 1.079 51 T HN -0.349 nan 8.240 nan 0.000 0.496 52 P HA -0.120 nan 4.420 nan 0.000 0.216 52 P C 1.721 178.951 177.300 -0.116 0.000 1.153 52 P CA 0.498 63.617 63.100 0.032 0.000 0.858 52 P CB -0.093 31.655 31.700 0.080 0.000 0.789 53 V N -0.510 119.352 119.914 -0.087 0.000 2.358 53 V HA -0.179 3.941 4.120 -0.000 0.000 0.246 53 V C 2.152 178.176 176.094 -0.116 0.000 1.047 53 V CA 1.832 64.063 62.300 -0.116 0.000 1.035 53 V CB -0.824 30.953 31.823 -0.078 0.000 0.658 53 V HN -0.096 nan 8.190 nan 0.000 0.452 54 V N 0.013 119.900 119.914 -0.045 0.000 2.453 54 V HA -0.197 3.923 4.120 -0.000 0.000 0.247 54 V C 2.411 178.467 176.094 -0.062 0.000 1.048 54 V CA 2.199 64.492 62.300 -0.011 0.000 1.049 54 V CB -0.705 31.157 31.823 0.065 0.000 0.672 54 V HN 0.630 nan 8.190 nan 0.000 0.457 55 E N 0.008 120.149 120.200 -0.098 0.000 2.153 55 E HA -0.178 4.172 4.350 -0.000 0.000 0.194 55 E C 2.261 178.612 176.600 -0.416 0.000 0.988 55 E CA 1.734 58.064 56.400 -0.116 0.000 0.811 55 E CB -0.248 29.463 29.700 0.018 0.000 0.746 55 E HN 0.583 nan 8.360 nan 0.000 0.466 56 T N 1.069 115.144 114.554 -0.798 0.000 2.777 56 T HA -0.140 4.209 4.350 -0.000 0.000 0.266 56 T C 1.902 176.425 174.700 -0.295 0.000 1.040 56 T CA 1.121 62.626 62.100 -0.993 0.000 1.141 56 T CB -0.115 68.268 68.868 -0.809 0.000 0.868 56 T HN 0.129 nan 8.240 nan 0.000 0.444 57 M N 0.871 120.376 119.600 -0.158 0.000 2.117 57 M HA -0.147 4.333 4.480 -0.000 0.000 0.262 57 M C 2.566 178.883 176.300 0.028 0.000 1.065 57 M CA 1.686 56.972 55.300 -0.024 0.000 1.114 57 M CB -0.467 32.134 32.600 0.002 0.000 1.361 57 M HN 0.244 nan 8.290 nan 0.000 0.408 58 Q N -1.020 118.797 119.800 0.028 0.000 2.119 58 Q HA -0.193 4.147 4.340 -0.000 0.000 0.201 58 Q C 1.934 178.010 176.000 0.127 0.000 0.972 58 Q CA 1.581 57.429 55.803 0.074 0.000 0.847 58 Q CB -0.246 28.538 28.738 0.076 0.000 0.903 58 Q HN 0.543 nan 8.270 nan 0.000 0.433 59 Y N 0.463 120.770 120.300 0.011 0.000 2.133 59 Y HA -0.147 4.403 4.550 -0.000 0.000 0.287 59 Y C 2.233 178.178 175.900 0.075 0.000 1.134 59 Y CA 1.834 59.987 58.100 0.090 0.000 1.133 59 Y CB -0.491 38.092 38.460 0.205 0.000 0.987 59 Y HN 0.074 nan 8.280 nan 0.000 0.502 60 G N -0.870 108.088 108.800 0.264 0.000 2.448 60 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.218 60 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.218 60 G C 1.565 176.506 174.900 0.068 0.000 1.135 60 G CA 0.702 45.900 45.100 0.163 0.000 0.784 60 G HN 0.572 nan 8.290 nan 0.000 0.543 61 A N -0.329 122.532 122.820 0.068 0.000 1.997 61 A HA 0.484 4.804 4.320 -0.000 0.000 0.212 61 A C 2.140 179.757 177.584 0.055 0.000 1.178 61 A CA 0.478 52.553 52.037 0.064 0.000 0.698 61 A CB 0.030 19.076 19.000 0.075 0.000 0.842 61 A HN 0.291 nan 8.150 nan 0.000 0.458 62 L N -1.349 119.896 121.223 0.038 0.000 2.537 62 L HA 0.300 4.640 4.340 -0.000 0.000 0.224 62 L C 0.073 176.940 176.870 -0.005 0.000 1.065 62 L CA -0.073 54.785 54.840 0.031 0.000 0.860 62 L CB 0.373 42.457 42.059 0.041 0.000 1.086 62 L HN 0.226 nan 8.230 nan 0.000 0.482 63 L N 1.660 122.843 121.223 -0.067 0.000 2.334 63 L HA 0.551 4.891 4.340 -0.000 0.000 0.286 63 L C 0.485 177.287 176.870 -0.113 0.000 1.108 63 L CA 0.420 55.184 54.840 -0.127 0.000 0.875 63 L CB -0.501 41.384 42.059 -0.290 0.000 1.246 63 L HN 0.210 nan 8.230 nan 0.000 0.439 64 G N 2.467 111.242 108.800 -0.043 0.000 2.757 64 G HA2 0.428 4.388 3.960 -0.000 0.000 0.638 64 G HA3 0.428 4.388 3.960 -0.000 0.000 0.638 64 G C -0.058 174.860 174.900 0.030 0.000 1.344 64 G CA -0.376 44.718 45.100 -0.010 0.000 0.855 64 G HN 1.774 nan 8.290 nan 0.000 0.537 65 G N -1.344 107.492 108.800 0.060 0.000 2.697 65 G HA2 0.264 4.223 3.960 -0.000 0.000 0.686 65 G HA3 0.264 4.223 3.960 -0.000 0.000 0.686 65 G C 0.276 175.247 174.900 0.119 0.000 1.179 65 G CA 0.548 45.715 45.100 0.111 0.000 0.765 65 G HN 1.240 nan 8.290 nan 0.000 0.649 66 K N 0.669 121.159 120.400 0.151 0.000 2.418 66 K HA 0.082 4.402 4.320 -0.000 0.000 0.195 66 K C 1.311 178.005 176.600 0.156 0.000 1.035 66 K CA 0.322 56.702 56.287 0.155 0.000 1.003 66 K CB -0.009 32.617 32.500 0.209 0.000 0.793 66 K HN 0.512 nan 8.250 nan 0.000 0.494 67 R N 0.487 121.078 120.500 0.152 0.000 3.416 67 R HA -0.190 4.150 4.340 -0.000 0.000 0.263 67 R C 0.633 177.042 176.300 0.182 0.000 1.053 67 R CA 0.424 56.614 56.100 0.151 0.000 0.705 67 R CB -2.745 27.655 30.300 0.166 0.000 1.124 67 R HN 0.324 nan 8.270 nan 0.000 0.444 68 L N -0.763 120.551 121.223 0.151 0.000 2.291 68 L HA -0.075 4.265 4.340 -0.000 0.000 0.214 68 L C 2.441 179.392 176.870 0.135 0.000 1.120 68 L CA 1.347 56.300 54.840 0.188 0.000 0.799 68 L CB -0.208 41.993 42.059 0.238 0.000 0.925 68 L HN 0.231 nan 8.230 nan 0.000 0.446 69 R N 0.098 120.585 120.500 -0.020 0.000 2.062 69 R HA -0.086 4.254 4.340 -0.000 0.000 0.229 69 R C -0.286 176.007 176.300 -0.012 0.000 1.128 69 R CA 1.069 57.127 56.100 -0.069 0.000 0.960 69 R CB -1.470 28.708 30.300 -0.202 0.000 0.855 69 R HN 0.253 nan 8.270 nan 0.000 0.432 70 P HA -0.208 nan 4.420 nan 0.000 0.216 70 P C 0.964 178.283 177.300 0.033 0.000 1.153 70 P CA 1.180 64.228 63.100 -0.087 0.000 0.858 70 P CB -0.069 31.662 31.700 0.052 0.000 0.789 71 F N -0.013 120.000 119.950 0.104 0.000 2.091 71 F HA -0.208 4.319 4.527 -0.000 0.000 0.299 71 F C 2.069 177.946 175.800 0.129 0.000 1.103 71 F CA 1.530 59.637 58.000 0.178 0.000 1.228 71 F CB -1.018 38.073 39.000 0.153 0.000 0.984 71 F HN -0.229 nan 8.300 nan 0.000 0.477 72 L N -1.042 120.414 121.223 0.388 0.000 2.046 72 L HA -0.238 4.102 4.340 -0.000 0.000 0.208 72 L C 2.350 179.277 176.870 0.094 0.000 1.077 72 L CA 1.008 56.007 54.840 0.266 0.000 0.747 72 L CB -0.774 41.394 42.059 0.183 0.000 0.896 72 L HN 0.008 nan 8.230 nan 0.000 0.432 73 V N -1.169 118.719 119.914 -0.044 0.000 2.295 73 V HA -0.310 3.810 4.120 -0.000 0.000 0.246 73 V C 2.257 178.232 176.094 -0.199 0.000 1.049 73 V CA 1.787 63.988 62.300 -0.164 0.000 1.024 73 V CB -0.660 30.970 31.823 -0.322 0.000 0.648 73 V HN 0.271 nan 8.190 nan 0.000 0.447 74 Y N 0.745 120.934 120.300 -0.185 0.000 2.145 74 Y HA -0.138 4.412 4.550 -0.000 0.000 0.286 74 Y C 2.564 178.160 175.900 -0.507 0.000 1.145 74 Y CA 1.178 59.003 58.100 -0.458 0.000 1.148 74 Y CB -1.265 36.930 38.460 -0.441 0.000 0.981 74 Y HN 0.183 nan 8.280 nan 0.000 0.507 75 A N -0.687 122.086 122.820 -0.077 0.000 1.902 75 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 75 A C 2.305 179.900 177.584 0.019 0.000 1.181 75 A CA 2.265 54.307 52.037 0.008 0.000 0.623 75 A CB -1.192 17.884 19.000 0.127 0.000 0.818 75 A HN 0.435 nan 8.150 nan 0.000 0.443 76 T N -0.361 114.210 114.554 0.028 0.000 2.701 76 T HA 0.000 4.350 4.350 -0.000 0.000 0.263 76 T C 2.035 176.804 174.700 0.115 0.000 1.040 76 T CA 1.410 63.543 62.100 0.056 0.000 1.147 76 T CB -0.734 68.201 68.868 0.111 0.000 0.865 76 T HN 0.562 nan 8.240 nan 0.000 0.426 77 G N 0.506 109.363 108.800 0.095 0.000 2.440 77 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.218 77 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.218 77 G C 1.235 176.239 174.900 0.174 0.000 1.154 77 G CA 0.873 46.068 45.100 0.157 0.000 0.767 77 G HN 0.622 nan 8.290 nan 0.000 0.552 78 H N -0.543 118.564 119.070 0.063 0.000 2.421 78 H HA 0.046 4.602 4.556 -0.000 0.000 0.298 78 H C 2.751 178.035 175.328 -0.073 0.000 1.087 78 H CA 0.908 56.958 56.048 0.003 0.000 1.330 78 H CB -0.038 29.709 29.762 -0.026 0.000 1.388 78 H HN 0.258 nan 8.280 nan 0.000 0.526 79 M N -0.080 119.478 119.600 -0.069 0.000 2.202 79 M HA -0.189 4.291 4.480 -0.000 0.000 0.262 79 M C 0.823 176.844 176.300 -0.464 0.000 1.063 79 M CA 1.593 56.676 55.300 -0.361 0.000 1.097 79 M CB -0.053 32.143 32.600 -0.674 0.000 1.382 79 M HN 0.261 nan 8.290 nan 0.000 0.413 80 F N -0.774 119.203 119.950 0.045 0.000 2.693 80 F HA 0.302 4.829 4.527 -0.000 0.000 0.303 80 F C 1.539 177.362 175.800 0.039 0.000 1.097 80 F CA 0.256 58.275 58.000 0.032 0.000 1.330 80 F CB 0.043 39.057 39.000 0.022 0.000 1.067 80 F HN 0.318 nan 8.300 nan 0.000 0.565 81 G N 1.301 110.196 108.800 0.160 0.000 2.143 81 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.248 81 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.248 81 G C 0.143 175.127 174.900 0.140 0.000 0.991 81 G CA 0.200 45.371 45.100 0.118 0.000 0.689 81 G HN 0.420 nan 8.290 nan 0.000 0.522 82 V N 0.091 120.115 119.914 0.185 0.000 2.686 82 V HA 0.764 4.884 4.120 -0.000 0.000 0.295 82 V C 0.984 177.190 176.094 0.186 0.000 1.055 82 V CA 0.473 62.866 62.300 0.154 0.000 1.050 82 V CB 1.614 33.513 31.823 0.127 0.000 0.984 82 V HN 1.224 nan 8.190 nan 0.000 0.482 83 S N 3.939 119.721 115.700 0.137 0.000 2.549 83 S HA 0.104 4.574 4.470 -0.000 0.000 0.283 83 S C 1.327 176.037 174.600 0.183 0.000 1.320 83 S CA 0.440 58.722 58.200 0.137 0.000 1.058 83 S CB 0.820 64.071 63.200 0.086 0.000 0.882 83 S HN 1.045 nan 8.310 nan 0.000 0.498 84 T N 4.542 119.236 114.554 0.233 0.000 2.737 84 T HA -0.180 4.170 4.350 -0.000 0.000 0.269 84 T C 1.735 176.549 174.700 0.189 0.000 1.040 84 T CA 2.079 64.328 62.100 0.248 0.000 1.142 84 T CB -0.669 68.302 68.868 0.171 0.000 0.861 84 T HN 0.816 nan 8.240 nan 0.000 0.456 85 N N 0.510 119.284 118.700 0.123 0.000 2.166 85 N HA -0.127 4.613 4.740 -0.000 0.000 0.186 85 N C 1.980 177.568 175.510 0.130 0.000 1.019 85 N CA 1.918 55.032 53.050 0.107 0.000 0.856 85 N CB -0.375 38.150 38.487 0.063 0.000 0.993 85 N HN 0.388 nan 8.380 nan 0.000 0.426 86 T N -0.904 113.720 114.554 0.116 0.000 2.904 86 T HA -0.006 4.344 4.350 -0.000 0.000 0.267 86 T C 1.756 176.515 174.700 0.099 0.000 1.059 86 T CA 0.840 63.000 62.100 0.100 0.000 1.137 86 T CB -0.333 68.578 68.868 0.072 0.000 0.879 86 T HN 0.239 nan 8.240 nan 0.000 0.467 87 L N 0.808 122.102 121.223 0.120 0.000 2.376 87 L HA 0.030 4.370 4.340 -0.000 0.000 0.219 87 L C 2.419 179.316 176.870 0.046 0.000 1.133 87 L CA 0.766 55.640 54.840 0.057 0.000 0.816 87 L CB -0.449 41.656 42.059 0.077 0.000 0.933 87 L HN 0.204 nan 8.230 nan 0.000 0.449 88 D N 0.476 121.016 120.400 0.233 0.000 2.158 88 D HA -0.201 4.439 4.640 -0.000 0.000 0.197 88 D C 2.181 178.637 176.300 0.260 0.000 0.995 88 D CA 1.498 55.671 54.000 0.288 0.000 0.846 88 D CB 0.078 41.051 40.800 0.289 0.000 0.941 88 D HN 0.365 nan 8.370 nan 0.000 0.456 89 A N 1.475 124.402 122.820 0.179 0.000 1.832 89 A HA -0.103 4.217 4.320 -0.000 0.000 0.214 89 A C -0.235 177.265 177.584 -0.140 0.000 1.200 89 A CA 1.660 53.680 52.037 -0.029 0.000 0.610 89 A CB -1.566 17.398 19.000 -0.059 0.000 0.842 89 A HN 0.210 nan 8.150 nan 0.000 0.444 90 P HA -0.121 nan 4.420 nan 0.000 0.217 90 P C 1.580 178.770 177.300 -0.185 0.000 1.150 90 P CA 1.975 64.983 63.100 -0.155 0.000 0.832 90 P CB -0.204 31.418 31.700 -0.130 0.000 0.787 91 A N 0.713 123.384 122.820 -0.249 0.000 1.908 91 A HA -0.094 4.226 4.320 -0.000 0.000 0.218 91 A C 2.499 180.009 177.584 -0.123 0.000 1.181 91 A CA 2.393 54.238 52.037 -0.320 0.000 0.627 91 A CB -1.552 17.022 19.000 -0.711 0.000 0.818 91 A HN 0.243 nan 8.150 nan 0.000 0.445 92 A N -0.433 122.371 122.820 -0.027 0.000 1.929 92 A HA 0.272 4.592 4.320 -0.000 0.000 0.216 92 A C 2.481 180.033 177.584 -0.052 0.000 1.176 92 A CA 1.785 53.854 52.037 0.052 0.000 0.628 92 A CB -0.920 18.235 19.000 0.257 0.000 0.816 92 A HN 0.991 nan 8.150 nan 0.000 0.444 93 A N 0.165 122.892 122.820 -0.154 0.000 1.877 93 A HA -0.043 4.277 4.320 -0.000 0.000 0.216 93 A C 2.353 179.839 177.584 -0.163 0.000 1.186 93 A CA 2.371 54.280 52.037 -0.213 0.000 0.620 93 A CB -1.335 17.501 19.000 -0.273 0.000 0.822 93 A HN 1.157 nan 8.150 nan 0.000 0.443 94 V N -1.898 117.937 119.914 -0.132 0.000 2.427 94 V HA -0.177 3.943 4.120 -0.000 0.000 0.248 94 V C 2.148 178.229 176.094 -0.022 0.000 1.051 94 V CA 2.689 64.934 62.300 -0.092 0.000 1.048 94 V CB -0.889 30.873 31.823 -0.102 0.000 0.666 94 V HN 0.498 nan 8.190 nan 0.000 0.456 95 E N 0.037 120.235 120.200 -0.002 0.000 2.152 95 E HA -0.101 4.249 4.350 -0.000 0.000 0.192 95 E C 1.959 178.619 176.600 0.100 0.000 0.983 95 E CA 1.774 58.222 56.400 0.080 0.000 0.818 95 E CB -0.759 28.989 29.700 0.081 0.000 0.758 95 E HN 0.728 nan 8.360 nan 0.000 0.467 96 C N 0.372 119.699 119.300 0.046 0.000 2.432 96 C HA -0.082 4.378 4.460 -0.000 0.000 0.277 96 C C 2.401 177.458 174.990 0.111 0.000 1.249 96 C CA 0.359 59.410 59.018 0.054 0.000 1.725 96 C CB -0.838 26.895 27.740 -0.011 0.000 2.028 96 C HN 0.460 nan 8.230 nan 0.000 0.477 97 I N 0.399 121.022 120.570 0.088 0.000 2.179 97 I HA -0.202 3.967 4.170 -0.000 0.000 0.242 97 I C 2.466 178.676 176.117 0.154 0.000 1.088 97 I CA 1.803 63.230 61.300 0.211 0.000 1.357 97 I CB -1.786 36.272 38.000 0.098 0.000 1.051 97 I HN 0.569 nan 8.210 nan 0.000 0.409 98 H N 1.367 120.434 119.070 -0.005 0.000 2.290 98 H HA -0.178 4.378 4.556 -0.000 0.000 0.298 98 H C 2.168 177.479 175.328 -0.028 0.000 1.087 98 H CA 1.930 57.948 56.048 -0.051 0.000 1.291 98 H CB 0.395 30.127 29.762 -0.049 0.000 1.369 98 H HN 0.263 nan 8.280 nan 0.000 0.492 99 A N 0.936 123.713 122.820 -0.072 0.000 1.908 99 A HA -0.254 4.066 4.320 -0.000 0.000 0.218 99 A C 2.369 179.950 177.584 -0.006 0.000 1.181 99 A CA 1.753 53.738 52.037 -0.087 0.000 0.627 99 A CB -1.378 17.646 19.000 0.040 0.000 0.818 99 A HN 0.785 nan 8.150 nan 0.000 0.445 100 Y N 1.862 122.161 120.300 -0.001 0.000 2.181 100 Y HA -0.187 4.363 4.550 -0.000 0.000 0.288 100 Y C 2.576 178.528 175.900 0.087 0.000 1.146 100 Y CA 1.733 59.874 58.100 0.067 0.000 1.164 100 Y CB -0.970 37.516 38.460 0.044 0.000 0.982 100 Y HN 0.365 nan 8.280 nan 0.000 0.515 101 S N 0.702 116.000 115.700 -0.670 0.000 2.382 101 S HA -0.174 4.295 4.470 -0.000 0.000 0.228 101 S C 1.893 176.330 174.600 -0.271 0.000 1.027 101 S CA 1.551 59.345 58.200 -0.677 0.000 0.991 101 S CB -1.096 61.807 63.200 -0.495 0.000 0.823 101 S HN 0.576 nan 8.310 nan 0.000 0.469 102 L N 0.449 121.539 121.223 -0.221 0.000 2.179 102 L HA 0.129 4.469 4.340 -0.000 0.000 0.208 102 L C 2.608 179.459 176.870 -0.031 0.000 1.096 102 L CA 0.832 55.593 54.840 -0.131 0.000 0.779 102 L CB -0.609 41.339 42.059 -0.186 0.000 0.922 102 L HN 0.287 nan 8.230 nan 0.000 0.443 103 I N -0.385 120.195 120.570 0.017 0.000 2.179 103 I HA -0.306 3.864 4.170 -0.000 0.000 0.242 103 I C 2.464 178.573 176.117 -0.013 0.000 1.088 103 I CA 1.530 62.860 61.300 0.049 0.000 1.357 103 I CB -0.335 37.719 38.000 0.091 0.000 1.051 103 I HN 0.284 nan 8.210 nan 0.000 0.409 104 H N -0.509 118.553 119.070 -0.014 0.000 2.436 104 H HA -0.148 4.408 4.556 -0.000 0.000 0.294 104 H C 1.805 177.099 175.328 -0.057 0.000 1.048 104 H CA 1.498 57.538 56.048 -0.014 0.000 1.353 104 H CB -0.173 29.607 29.762 0.030 0.000 1.414 104 H HN 0.306 nan 8.280 nan 0.000 0.536 105 D N 0.038 120.460 120.400 0.037 0.000 2.144 105 D HA -0.145 4.495 4.640 -0.000 0.000 0.199 105 D C 1.197 177.478 176.300 -0.031 0.000 0.984 105 D CA 1.300 55.296 54.000 -0.006 0.000 0.834 105 D CB 0.036 40.821 40.800 -0.026 0.000 0.955 105 D HN 0.262 nan 8.370 nan 0.000 0.465 106 D N -0.271 120.103 120.400 -0.044 0.000 2.347 106 D HA 0.004 4.644 4.640 -0.000 0.000 0.215 106 D C 0.544 176.674 176.300 -0.284 0.000 0.976 106 D CA 0.077 54.037 54.000 -0.066 0.000 0.884 106 D CB -0.058 40.767 40.800 0.041 0.000 0.915 106 D HN 0.342 nan 8.370 nan 0.000 0.526 107 L N 1.189 122.212 121.223 -0.333 0.000 2.516 107 L HA -0.035 4.305 4.340 -0.000 0.000 0.288 107 L C -0.992 175.670 176.870 -0.347 0.000 1.246 107 L CA -1.027 53.510 54.840 -0.505 0.000 0.844 107 L CB 0.070 41.980 42.059 -0.248 0.000 1.106 107 L HN -0.187 nan 8.230 nan 0.000 0.509 108 P HA -0.230 nan 4.420 nan 0.000 0.216 108 P C 1.078 178.347 177.300 -0.051 0.000 1.154 108 P CA 1.756 64.802 63.100 -0.090 0.000 0.865 108 P CB 0.167 31.862 31.700 -0.008 0.000 0.789 109 A N -2.568 120.223 122.820 -0.050 0.000 2.119 109 A HA -0.061 4.258 4.320 -0.000 0.000 0.217 109 A C 1.761 179.335 177.584 -0.016 0.000 1.153 109 A CA 1.196 53.221 52.037 -0.020 0.000 0.692 109 A CB -0.779 18.217 19.000 -0.006 0.000 0.799 109 A HN 0.054 nan 8.150 nan 0.000 0.458 110 M N -1.114 118.466 119.600 -0.034 0.000 2.094 110 M HA 0.177 4.657 4.480 -0.000 0.000 0.163 110 M C 0.573 176.861 176.300 -0.020 0.000 1.495 110 M CA 0.538 55.826 55.300 -0.020 0.000 1.481 110 M CB -1.275 31.314 32.600 -0.018 0.000 0.856 110 M HN 0.090 nan 8.290 nan 0.000 0.650 111 D N -0.010 120.374 120.400 -0.026 0.000 2.354 111 D HA 0.022 4.662 4.640 -0.000 0.000 0.209 111 D C -0.286 176.011 176.300 -0.005 0.000 1.015 111 D CA 0.513 54.508 54.000 -0.009 0.000 0.867 111 D CB -0.133 40.668 40.800 0.002 0.000 0.933 111 D HN 0.439 nan 8.370 nan 0.000 0.520 112 D N 1.364 121.745 120.400 -0.033 0.000 2.737 112 D HA -0.161 4.479 4.640 -0.000 0.000 0.238 112 D C -1.122 175.218 176.300 0.067 0.000 1.157 112 D CA 0.499 54.499 54.000 -0.000 0.000 0.694 112 D CB -0.785 40.026 40.800 0.018 0.000 1.021 112 D HN 0.090 nan 8.370 nan 0.000 0.420 113 D N 0.031 120.484 120.400 0.089 0.000 2.163 113 D HA 0.184 4.824 4.640 -0.000 0.000 0.248 113 D C 1.047 177.471 176.300 0.207 0.000 1.035 113 D CA -0.377 53.692 54.000 0.115 0.000 0.872 113 D CB 1.169 42.018 40.800 0.081 0.000 1.183 113 D HN 0.324 nan 8.370 nan 0.000 0.445 114 D N 1.576 122.053 120.400 0.128 0.000 2.379 114 D HA 0.054 4.694 4.640 -0.000 0.000 0.208 114 D C 0.329 176.668 176.300 0.065 0.000 1.065 114 D CA 0.124 54.175 54.000 0.084 0.000 0.848 114 D CB 0.610 41.427 40.800 0.029 0.000 0.949 114 D HN 0.185 nan 8.370 nan 0.000 0.509 115 L N 0.159 121.428 121.223 0.076 0.000 2.386 115 L HA 0.579 4.919 4.340 -0.000 0.000 0.271 115 L C -0.502 176.413 176.870 0.075 0.000 0.993 115 L CA -0.848 54.033 54.840 0.068 0.000 0.819 115 L CB 2.655 44.742 42.059 0.047 0.000 1.294 115 L HN -0.148 nan 8.230 nan 0.000 0.414 116 R N 2.106 122.652 120.500 0.077 0.000 2.604 116 R HA 0.418 4.758 4.340 -0.000 0.000 0.270 116 R C -0.632 175.692 176.300 0.039 0.000 1.052 116 R CA -0.688 55.449 56.100 0.061 0.000 0.902 116 R CB 1.475 31.818 30.300 0.071 0.000 1.233 116 R HN 0.624 nan 8.270 nan 0.000 0.455 117 R N 2.103 122.620 120.500 0.029 0.000 3.627 117 R HA -0.237 4.103 4.340 -0.000 0.000 0.281 117 R C 0.667 176.969 176.300 0.004 0.000 1.140 117 R CA 1.100 57.208 56.100 0.013 0.000 0.761 117 R CB -1.728 28.566 30.300 -0.011 0.000 1.181 117 R HN 1.149 nan 8.270 nan 0.000 0.472 118 G N -1.287 107.524 108.800 0.018 0.000 2.176 118 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.253 118 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.253 118 G C 0.078 174.994 174.900 0.026 0.000 0.979 118 G CA 0.389 45.501 45.100 0.019 0.000 0.641 118 G HN 0.268 nan 8.290 nan 0.000 0.530 119 L N -0.251 120.995 121.223 0.038 0.000 2.327 119 L HA 0.559 4.899 4.340 -0.000 0.000 0.258 119 L C -2.283 174.660 176.870 0.121 0.000 1.024 119 L CA -2.790 52.096 54.840 0.076 0.000 0.825 119 L CB 2.170 44.269 42.059 0.067 0.000 1.386 119 L HN -0.227 nan 8.230 nan 0.000 0.417 120 P HA -0.014 nan 4.420 nan 0.000 0.263 120 P C -0.468 176.953 177.300 0.202 0.000 1.175 120 P CA -0.060 63.099 63.100 0.099 0.000 0.761 120 P CB 0.134 31.844 31.700 0.018 0.000 0.794 121 T N 0.122 114.760 114.554 0.140 0.000 2.795 121 T HA -0.012 4.338 4.350 -0.000 0.000 0.314 121 T C 1.365 176.197 174.700 0.220 0.000 1.069 121 T CA -0.484 61.750 62.100 0.224 0.000 1.071 121 T CB -0.203 68.822 68.868 0.262 0.000 0.988 121 T HN 0.401 nan 8.240 nan 0.000 0.543 122 C N 1.660 121.150 119.300 0.316 0.000 2.401 122 C HA -0.130 4.330 4.460 -0.000 0.000 0.276 122 C C 2.746 177.872 174.990 0.228 0.000 1.233 122 C CA 1.219 60.417 59.018 0.300 0.000 1.753 122 C CB -1.729 26.163 27.740 0.253 0.000 2.029 122 C HN 1.101 nan 8.230 nan 0.000 0.478 123 H N -0.222 118.894 119.070 0.077 0.000 2.428 123 H HA -0.021 4.535 4.556 -0.000 0.000 0.296 123 H C 2.020 177.358 175.328 0.016 0.000 1.062 123 H CA 1.816 57.887 56.048 0.038 0.000 1.350 123 H CB -0.991 28.774 29.762 0.006 0.000 1.403 123 H HN 0.338 nan 8.280 nan 0.000 0.533 124 V N 1.590 121.141 119.914 -0.604 0.000 2.270 124 V HA -0.226 3.894 4.120 -0.000 0.000 0.245 124 V C 2.917 178.845 176.094 -0.276 0.000 1.043 124 V CA 2.379 64.414 62.300 -0.442 0.000 1.014 124 V CB -0.591 31.010 31.823 -0.371 0.000 0.645 124 V HN 0.363 nan 8.190 nan 0.000 0.447 125 K N -0.862 119.356 120.400 -0.303 0.000 2.103 125 K HA -0.088 4.232 4.320 -0.000 0.000 0.204 125 K C 1.654 177.848 176.600 -0.677 0.000 1.052 125 K CA 1.738 57.692 56.287 -0.556 0.000 0.945 125 K CB -0.047 31.915 32.500 -0.897 0.000 0.722 125 K HN 0.459 nan 8.250 nan 0.000 0.443 126 F N -0.136 119.698 119.950 -0.193 0.000 2.682 126 F HA 0.341 4.868 4.527 -0.000 0.000 0.308 126 F C 0.642 176.393 175.800 -0.081 0.000 1.093 126 F CA 0.203 58.122 58.000 -0.135 0.000 1.244 126 F CB 1.400 40.317 39.000 -0.138 0.000 1.052 126 F HN 0.189 nan 8.300 nan 0.000 0.573 127 G N 0.846 109.689 108.800 0.071 0.000 2.699 127 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.686 127 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.686 127 G C 0.250 175.210 174.900 0.100 0.000 1.301 127 G CA -0.411 44.724 45.100 0.057 0.000 0.816 127 G HN 0.237 nan 8.290 nan 0.000 0.595 128 E N 0.189 120.443 120.200 0.092 0.000 2.072 128 E HA 0.044 4.394 4.350 -0.000 0.000 0.190 128 E C 2.984 179.603 176.600 0.032 0.000 0.982 128 E CA 1.407 57.860 56.400 0.088 0.000 0.803 128 E CB -0.111 29.632 29.700 0.072 0.000 0.755 128 E HN 0.829 nan 8.360 nan 0.000 0.453 129 A N 1.635 124.471 122.820 0.027 0.000 1.883 129 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 129 A C 1.818 179.403 177.584 0.002 0.000 1.186 129 A CA 1.947 53.990 52.037 0.010 0.000 0.624 129 A CB -0.845 18.160 19.000 0.009 0.000 0.822 129 A HN 0.204 nan 8.150 nan 0.000 0.444 130 N N -0.100 118.608 118.700 0.014 0.000 2.149 130 N HA -0.087 4.653 4.740 -0.000 0.000 0.188 130 N C 1.924 177.416 175.510 -0.030 0.000 1.019 130 N CA 1.131 54.177 53.050 -0.007 0.000 0.857 130 N CB -0.249 38.254 38.487 0.027 0.000 0.997 130 N HN 0.518 nan 8.380 nan 0.000 0.426 131 A N 1.054 123.870 122.820 -0.005 0.000 1.877 131 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 131 A C 2.123 179.606 177.584 -0.168 0.000 1.186 131 A CA 1.049 53.059 52.037 -0.045 0.000 0.620 131 A CB -0.649 18.360 19.000 0.016 0.000 0.822 131 A HN 0.191 nan 8.150 nan 0.000 0.443 132 I N -0.300 120.169 120.570 -0.168 0.000 2.127 132 I HA -0.283 3.887 4.170 -0.000 0.000 0.241 132 I C 2.407 178.549 176.117 0.041 0.000 1.075 132 I CA 1.347 62.550 61.300 -0.162 0.000 1.334 132 I CB -0.328 37.661 38.000 -0.019 0.000 1.040 132 I HN 0.289 nan 8.210 nan 0.000 0.405 133 L N 0.187 121.421 121.223 0.019 0.000 2.093 133 L HA -0.149 4.190 4.340 -0.000 0.000 0.208 133 L C 2.797 179.689 176.870 0.036 0.000 1.085 133 L CA 1.147 56.006 54.840 0.030 0.000 0.755 133 L CB -0.721 41.334 42.059 -0.007 0.000 0.904 133 L HN 0.241 nan 8.230 nan 0.000 0.435 134 A N 0.344 123.171 122.820 0.012 0.000 1.930 134 A HA -0.084 4.235 4.320 -0.000 0.000 0.217 134 A C 2.391 180.035 177.584 0.099 0.000 1.175 134 A CA 1.618 53.664 52.037 0.015 0.000 0.627 134 A CB -1.087 17.884 19.000 -0.048 0.000 0.815 134 A HN 0.427 nan 8.150 nan 0.000 0.443 135 G N -0.189 108.734 108.800 0.206 0.000 2.402 135 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.216 135 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.216 135 G C 1.132 176.174 174.900 0.237 0.000 1.162 135 G CA 1.133 46.508 45.100 0.457 0.000 0.777 135 G HN 0.424 nan 8.290 nan 0.000 0.539 136 D N 1.177 121.697 120.400 0.200 0.000 2.116 136 D HA -0.112 4.527 4.640 -0.000 0.000 0.193 136 D C 2.801 179.060 176.300 -0.068 0.000 0.998 136 D CA 1.524 55.506 54.000 -0.031 0.000 0.836 136 D CB -0.490 40.329 40.800 0.032 0.000 0.951 136 D HN 0.308 nan 8.370 nan 0.000 0.449 137 A N 0.239 123.059 122.820 -0.000 0.000 1.969 137 A HA -0.057 4.263 4.320 -0.000 0.000 0.218 137 A C 2.407 179.992 177.584 0.002 0.000 1.169 137 A CA 0.663 52.703 52.037 0.005 0.000 0.635 137 A CB -0.637 18.378 19.000 0.024 0.000 0.810 137 A HN 0.201 nan 8.150 nan 0.000 0.445 138 L N -0.813 120.420 121.223 0.016 0.000 2.093 138 L HA -0.231 4.109 4.340 -0.000 0.000 0.208 138 L C 2.882 179.734 176.870 -0.030 0.000 1.085 138 L CA 1.720 56.578 54.840 0.030 0.000 0.755 138 L CB -0.397 41.726 42.059 0.107 0.000 0.904 138 L HN 0.607 nan 8.230 nan 0.000 0.435 139 Q N -0.362 119.339 119.800 -0.165 0.000 2.050 139 Q HA -0.216 4.124 4.340 -0.000 0.000 0.202 139 Q C 2.007 177.994 176.000 -0.022 0.000 0.980 139 Q CA 2.353 58.010 55.803 -0.243 0.000 0.840 139 Q CB -0.021 28.315 28.738 -0.671 0.000 0.898 139 Q HN 0.416 nan 8.270 nan 0.000 0.424 140 T N 1.692 116.249 114.554 0.005 0.000 2.788 140 T HA -0.160 4.190 4.350 -0.000 0.000 0.268 140 T C 1.713 176.458 174.700 0.076 0.000 1.044 140 T CA 1.170 63.330 62.100 0.101 0.000 1.139 140 T CB -0.281 68.611 68.868 0.039 0.000 0.867 140 T HN 0.231 nan 8.240 nan 0.000 0.454 141 L N 1.556 122.784 121.223 0.007 0.000 2.083 141 L HA 0.068 4.407 4.340 -0.000 0.000 0.209 141 L C 2.602 179.409 176.870 -0.106 0.000 1.083 141 L CA 1.711 56.539 54.840 -0.020 0.000 0.752 141 L CB -1.094 40.965 42.059 -0.000 0.000 0.899 141 L HN 0.229 nan 8.230 nan 0.000 0.433 142 A N -0.771 121.937 122.820 -0.187 0.000 1.917 142 A HA -0.251 4.069 4.320 -0.000 0.000 0.219 142 A C 2.106 179.404 177.584 -0.477 0.000 1.182 142 A CA 2.289 54.098 52.037 -0.381 0.000 0.633 142 A CB -1.144 17.537 19.000 -0.532 0.000 0.819 142 A HN 0.507 nan 8.150 nan 0.000 0.448 143 F N -0.127 119.773 119.950 -0.082 0.000 2.367 143 F HA -0.031 4.496 4.527 -0.000 0.000 0.298 143 F C 2.722 178.472 175.800 -0.084 0.000 1.094 143 F CA 1.022 58.975 58.000 -0.079 0.000 1.409 143 F CB -0.181 38.781 39.000 -0.065 0.000 1.064 143 F HN 0.100 nan 8.300 nan 0.000 0.528 144 S N 0.622 116.355 115.700 0.054 0.000 2.382 144 S HA -0.136 4.334 4.470 -0.000 0.000 0.228 144 S C 2.092 176.637 174.600 -0.091 0.000 1.027 144 S CA 1.085 59.283 58.200 -0.003 0.000 0.991 144 S CB -0.383 62.817 63.200 0.001 0.000 0.823 144 S HN 0.268 nan 8.310 nan 0.000 0.469 145 I N 1.266 121.713 120.570 -0.206 0.000 2.179 145 I HA -0.177 3.993 4.170 -0.000 0.000 0.242 145 I C 2.025 177.965 176.117 -0.294 0.000 1.088 145 I CA 1.161 62.212 61.300 -0.414 0.000 1.357 145 I CB -0.315 37.294 38.000 -0.651 0.000 1.051 145 I HN 0.233 nan 8.210 nan 0.000 0.409 146 L N 0.253 121.353 121.223 -0.205 0.000 2.141 146 L HA -0.166 4.174 4.340 -0.000 0.000 0.209 146 L C 2.673 179.511 176.870 -0.054 0.000 1.094 146 L CA 1.565 56.331 54.840 -0.122 0.000 0.763 146 L CB -0.537 41.472 42.059 -0.084 0.000 0.908 146 L HN 0.383 nan 8.230 nan 0.000 0.437 147 S N -2.082 113.603 115.700 -0.025 0.000 2.446 147 S HA -0.046 4.424 4.470 -0.000 0.000 0.225 147 S C 1.238 175.832 174.600 -0.011 0.000 1.016 147 S CA 0.614 58.813 58.200 -0.001 0.000 0.943 147 S CB 0.048 63.262 63.200 0.023 0.000 0.786 147 S HN 0.331 nan 8.310 nan 0.000 0.508 148 D N 1.507 121.891 120.400 -0.027 0.000 2.455 148 D HA 0.448 5.088 4.640 -0.000 0.000 0.228 148 D C 0.786 177.092 176.300 0.010 0.000 1.070 148 D CA 0.458 54.455 54.000 -0.005 0.000 0.881 148 D CB 0.186 40.988 40.800 0.003 0.000 1.087 148 D HN 0.498 nan 8.370 nan 0.000 0.498 149 A N 1.166 123.972 122.820 -0.022 0.000 2.366 149 A HA 0.176 4.496 4.320 -0.000 0.000 0.249 149 A C 0.004 177.629 177.584 0.067 0.000 1.084 149 A CA -0.259 51.810 52.037 0.053 0.000 0.794 149 A CB 0.256 19.224 19.000 -0.053 0.000 1.034 149 A HN -0.050 nan 8.150 nan 0.000 0.491 150 D N 1.668 122.137 120.400 0.115 0.000 2.371 150 D HA 0.257 4.897 4.640 -0.000 0.000 0.256 150 D C -0.552 175.793 176.300 0.075 0.000 1.193 150 D CA 0.907 54.955 54.000 0.081 0.000 0.881 150 D CB 0.593 41.442 40.800 0.082 0.000 1.143 150 D HN 0.424 nan 8.370 nan 0.000 0.473 151 M N 3.337 122.965 119.600 0.047 0.000 2.067 151 M HA 0.134 4.614 4.480 -0.000 0.000 0.214 151 M C -1.935 174.383 176.300 0.030 0.000 0.891 151 M CA -1.612 53.712 55.300 0.039 0.000 0.697 151 M CB 2.384 34.997 32.600 0.022 0.000 1.616 151 M HN 0.023 nan 8.290 nan 0.000 0.354 152 P HA -0.169 nan 4.420 nan 0.000 0.216 152 P C 0.383 177.696 177.300 0.021 0.000 1.150 152 P CA 1.690 64.806 63.100 0.027 0.000 0.843 152 P CB 0.224 31.941 31.700 0.029 0.000 0.787 153 E N -1.044 119.171 120.200 0.024 0.000 2.489 153 E HA 0.080 4.430 4.350 -0.000 0.000 0.193 153 E C 0.118 176.723 176.600 0.009 0.000 1.057 153 E CA 0.036 56.447 56.400 0.018 0.000 0.866 153 E CB -0.114 29.602 29.700 0.026 0.000 0.916 153 E HN 0.071 nan 8.360 nan 0.000 0.500 154 V N 2.320 122.239 119.914 0.008 0.000 2.350 154 V HA 0.174 4.294 4.120 -0.000 0.000 0.276 154 V C 0.330 176.422 176.094 -0.004 0.000 1.028 154 V CA -0.923 61.376 62.300 -0.002 0.000 0.860 154 V CB 1.062 32.883 31.823 -0.003 0.000 0.990 154 V HN 0.224 nan 8.190 nan 0.000 0.453 155 S N 2.636 118.330 115.700 -0.009 0.000 2.573 155 S HA 0.056 4.526 4.470 -0.000 0.000 0.277 155 S C 0.820 175.415 174.600 -0.008 0.000 1.346 155 S CA -0.351 57.844 58.200 -0.008 0.000 1.034 155 S CB 0.737 63.930 63.200 -0.012 0.000 0.879 155 S HN 0.677 nan 8.310 nan 0.000 0.528 156 D N 1.243 121.639 120.400 -0.006 0.000 2.149 156 D HA -0.130 4.510 4.640 -0.000 0.000 0.198 156 D C 1.946 178.241 176.300 -0.007 0.000 0.990 156 D CA 1.343 55.340 54.000 -0.005 0.000 0.839 156 D CB -0.327 40.471 40.800 -0.004 0.000 0.948 156 D HN 0.631 nan 8.370 nan 0.000 0.460 157 R N 1.098 121.593 120.500 -0.010 0.000 2.091 157 R HA -0.115 4.225 4.340 -0.000 0.000 0.238 157 R C 1.306 177.598 176.300 -0.014 0.000 1.136 157 R CA 1.511 57.604 56.100 -0.012 0.000 0.959 157 R CB -0.481 29.811 30.300 -0.014 0.000 0.856 157 R HN 0.049 nan 8.270 nan 0.000 0.437 158 D N -0.597 119.793 120.400 -0.018 0.000 2.183 158 D HA -0.090 4.550 4.640 -0.000 0.000 0.203 158 D C 1.805 178.094 176.300 -0.018 0.000 0.969 158 D CA 0.746 54.733 54.000 -0.023 0.000 0.842 158 D CB -0.205 40.577 40.800 -0.031 0.000 0.957 158 D HN 0.262 nan 8.370 nan 0.000 0.484 159 R N 0.539 121.031 120.500 -0.013 0.000 2.075 159 R HA -0.039 4.301 4.340 -0.000 0.000 0.232 159 R C 2.322 178.621 176.300 -0.001 0.000 1.126 159 R CA 0.702 56.796 56.100 -0.010 0.000 0.963 159 R CB -0.202 30.094 30.300 -0.007 0.000 0.858 159 R HN 0.128 nan 8.270 nan 0.000 0.435 160 I N 0.390 120.960 120.570 -0.000 0.000 2.226 160 I HA -0.248 3.922 4.170 -0.000 0.000 0.245 160 I C 2.190 178.311 176.117 0.008 0.000 1.100 160 I CA 1.220 62.523 61.300 0.005 0.000 1.374 160 I CB -0.126 37.873 38.000 -0.002 0.000 1.057 160 I HN 0.151 nan 8.210 nan 0.000 0.413 161 S N 0.373 116.073 115.700 -0.001 0.000 2.382 161 S HA -0.144 4.326 4.470 -0.000 0.000 0.228 161 S C 2.013 176.615 174.600 0.004 0.000 1.027 161 S CA 1.312 59.511 58.200 -0.002 0.000 0.991 161 S CB -0.194 62.998 63.200 -0.013 0.000 0.823 161 S HN 0.344 nan 8.310 nan 0.000 0.469 162 M N 0.560 120.160 119.600 -0.001 0.000 2.086 162 M HA -0.074 4.406 4.480 -0.000 0.000 0.261 162 M C 1.988 178.304 176.300 0.027 0.000 1.067 162 M CA 1.509 56.807 55.300 -0.003 0.000 1.116 162 M CB -0.615 31.972 32.600 -0.022 0.000 1.348 162 M HN 0.275 nan 8.290 nan 0.000 0.407 163 I N -0.672 119.934 120.570 0.059 0.000 2.179 163 I HA -0.294 3.876 4.170 -0.000 0.000 0.242 163 I C 2.772 178.989 176.117 0.166 0.000 1.088 163 I CA 1.394 62.788 61.300 0.158 0.000 1.357 163 I CB -0.477 37.610 38.000 0.146 0.000 1.051 163 I HN 0.323 nan 8.210 nan 0.000 0.409 164 S N 0.550 116.295 115.700 0.076 0.000 2.370 164 S HA -0.273 4.196 4.470 -0.000 0.000 0.226 164 S C 2.017 176.651 174.600 0.056 0.000 1.033 164 S CA 2.087 60.315 58.200 0.047 0.000 1.011 164 S CB -0.225 62.985 63.200 0.016 0.000 0.852 164 S HN 0.477 nan 8.310 nan 0.000 0.457 165 E N 0.769 120.996 120.200 0.045 0.000 2.072 165 E HA -0.078 4.272 4.350 -0.000 0.000 0.191 165 E C 1.923 178.553 176.600 0.050 0.000 0.985 165 E CA 1.221 57.639 56.400 0.031 0.000 0.801 165 E CB -0.788 28.918 29.700 0.009 0.000 0.750 165 E HN 0.468 nan 8.360 nan 0.000 0.452 166 L N 0.282 121.548 121.223 0.072 0.000 2.083 166 L HA 0.016 4.356 4.340 -0.000 0.000 0.209 166 L C 2.225 179.213 176.870 0.196 0.000 1.083 166 L CA 2.106 56.988 54.840 0.070 0.000 0.752 166 L CB -1.052 40.983 42.059 -0.040 0.000 0.899 166 L HN 0.235 nan 8.230 nan 0.000 0.433 167 A N -0.946 122.060 122.820 0.310 0.000 1.858 167 A HA -0.221 4.098 4.320 -0.000 0.000 0.216 167 A C 2.453 180.110 177.584 0.121 0.000 1.190 167 A CA 2.228 54.422 52.037 0.261 0.000 0.617 167 A CB -1.169 17.873 19.000 0.070 0.000 0.827 167 A HN 0.620 nan 8.150 nan 0.000 0.443 168 S N 0.175 115.917 115.700 0.071 0.000 2.382 168 S HA 0.058 4.528 4.470 -0.000 0.000 0.228 168 S C 2.016 176.635 174.600 0.031 0.000 1.027 168 S CA 1.262 59.484 58.200 0.036 0.000 0.991 168 S CB -0.604 62.605 63.200 0.015 0.000 0.823 168 S HN 0.893 nan 8.310 nan 0.000 0.469 169 A N 1.300 124.140 122.820 0.034 0.000 2.016 169 A HA 0.173 4.493 4.320 -0.000 0.000 0.217 169 A C 2.283 179.888 177.584 0.035 0.000 1.162 169 A CA 1.320 53.363 52.037 0.010 0.000 0.662 169 A CB -0.595 18.404 19.000 -0.002 0.000 0.812 169 A HN 0.532 nan 8.150 nan 0.000 0.450 170 S N -0.625 115.127 115.700 0.087 0.000 2.470 170 S HA 0.240 4.710 4.470 -0.000 0.000 0.222 170 S C 1.396 176.077 174.600 0.135 0.000 1.024 170 S CA 0.305 58.582 58.200 0.128 0.000 0.931 170 S CB -0.039 63.285 63.200 0.207 0.000 0.791 170 S HN 0.701 nan 8.310 nan 0.000 0.513 171 G N 1.171 110.037 108.800 0.110 0.000 2.582 171 G HA2 0.382 4.342 3.960 -0.000 0.000 0.232 171 G HA3 0.382 4.342 3.960 -0.000 0.000 0.232 171 G C 0.716 175.662 174.900 0.076 0.000 1.458 171 G CA -0.467 44.686 45.100 0.089 0.000 1.062 171 G HN 0.180 nan 8.290 nan 0.000 0.566 172 I N 0.554 121.161 120.570 0.062 0.000 2.614 172 I HA 0.017 4.187 4.170 -0.000 0.000 0.258 172 I C 2.726 178.902 176.117 0.099 0.000 1.189 172 I CA 1.372 62.713 61.300 0.068 0.000 1.462 172 I CB -0.012 38.015 38.000 0.045 0.000 1.092 172 I HN 0.336 nan 8.210 nan 0.000 0.442 173 A N -0.732 122.136 122.820 0.081 0.000 2.208 173 A HA 0.447 4.766 4.320 -0.000 0.000 0.209 173 A C 1.634 179.242 177.584 0.041 0.000 1.161 173 A CA 0.981 53.069 52.037 0.084 0.000 0.782 173 A CB -0.727 18.294 19.000 0.035 0.000 0.816 173 A HN 0.462 nan 8.150 nan 0.000 0.477 174 G N -2.150 106.684 108.800 0.056 0.000 3.324 174 G HA2 0.302 4.262 3.960 -0.000 0.000 0.188 174 G HA3 0.302 4.262 3.960 -0.000 0.000 0.188 174 G C 1.126 176.076 174.900 0.084 0.000 1.384 174 G CA 0.471 45.572 45.100 0.002 0.000 0.841 174 G HN -0.038 nan 8.290 nan 0.000 0.758 175 M N 0.495 120.127 119.600 0.053 0.000 2.082 175 M HA -0.127 4.353 4.480 -0.000 0.000 0.258 175 M C 2.464 178.796 176.300 0.053 0.000 1.069 175 M CA 1.941 57.268 55.300 0.045 0.000 1.102 175 M CB -1.009 31.597 32.600 0.010 0.000 1.336 175 M HN 0.415 nan 8.290 nan 0.000 0.404 176 C N 0.440 119.778 119.300 0.064 0.000 2.446 176 C HA -0.052 4.408 4.460 -0.000 0.000 0.277 176 C C 2.820 177.847 174.990 0.062 0.000 1.275 176 C CA 1.207 60.260 59.018 0.058 0.000 1.727 176 C CB -1.696 26.089 27.740 0.076 0.000 2.010 176 C HN 0.758 nan 8.230 nan 0.000 0.486 177 G N -0.113 108.739 108.800 0.088 0.000 2.440 177 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.218 177 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.218 177 G C 1.818 176.758 174.900 0.068 0.000 1.154 177 G CA 1.224 46.378 45.100 0.089 0.000 0.767 177 G HN 0.639 nan 8.290 nan 0.000 0.552 178 G N -0.382 108.489 108.800 0.118 0.000 2.408 178 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.217 178 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.217 178 G C 1.825 176.763 174.900 0.063 0.000 1.150 178 G CA 0.933 46.096 45.100 0.105 0.000 0.776 178 G HN 0.346 nan 8.290 nan 0.000 0.542 179 Q N 0.571 120.401 119.800 0.050 0.000 2.124 179 Q HA -0.047 4.293 4.340 -0.000 0.000 0.202 179 Q C 2.959 178.973 176.000 0.024 0.000 0.977 179 Q CA 1.455 57.277 55.803 0.031 0.000 0.850 179 Q CB -0.631 28.116 28.738 0.014 0.000 0.901 179 Q HN 0.460 nan 8.270 nan 0.000 0.429 180 A N 0.728 123.561 122.820 0.021 0.000 1.898 180 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 180 A C 2.262 179.844 177.584 -0.002 0.000 1.181 180 A CA 0.963 53.006 52.037 0.010 0.000 0.620 180 A CB -0.660 18.346 19.000 0.010 0.000 0.819 180 A HN 0.308 nan 8.150 nan 0.000 0.442 181 L N -0.288 120.928 121.223 -0.012 0.000 2.046 181 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 181 L C 2.519 179.379 176.870 -0.016 0.000 1.077 181 L CA 1.709 56.530 54.840 -0.031 0.000 0.747 181 L CB -0.614 41.406 42.059 -0.065 0.000 0.896 181 L HN 0.545 nan 8.230 nan 0.000 0.432 182 D N 0.512 120.918 120.400 0.010 0.000 2.097 182 D HA -0.203 4.437 4.640 -0.000 0.000 0.195 182 D C 2.194 178.498 176.300 0.007 0.000 0.989 182 D CA 1.344 55.358 54.000 0.024 0.000 0.827 182 D CB 0.209 41.043 40.800 0.056 0.000 0.966 182 D HN 0.116 nan 8.370 nan 0.000 0.456 183 L N 1.188 122.415 121.223 0.006 0.000 2.046 183 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 183 L C 2.186 179.053 176.870 -0.006 0.000 1.077 183 L CA 1.599 56.440 54.840 0.002 0.000 0.747 183 L CB -1.066 40.996 42.059 0.006 0.000 0.896 183 L HN 0.079 nan 8.230 nan 0.000 0.432 184 D N -0.949 119.445 120.400 -0.010 0.000 2.178 184 D HA -0.120 4.520 4.640 -0.000 0.000 0.202 184 D C 1.984 178.271 176.300 -0.021 0.000 0.974 184 D CA 1.057 55.048 54.000 -0.014 0.000 0.841 184 D CB 0.157 40.946 40.800 -0.018 0.000 0.953 184 D HN 0.274 nan 8.370 nan 0.000 0.478 185 A N -0.062 122.740 122.820 -0.030 0.000 2.238 185 A HA 0.057 4.377 4.320 -0.000 0.000 0.208 185 A C 0.582 178.129 177.584 -0.062 0.000 1.177 185 A CA -0.031 51.978 52.037 -0.046 0.000 0.804 185 A CB -0.319 18.644 19.000 -0.061 0.000 0.823 185 A HN 0.217 nan 8.150 nan 0.000 0.482 186 E N -0.468 119.705 120.200 -0.045 0.000 2.493 186 E HA 0.309 4.659 4.350 -0.000 0.000 0.255 186 E C 1.178 177.751 176.600 -0.046 0.000 0.999 186 E CA 0.575 56.944 56.400 -0.053 0.000 0.934 186 E CB 0.123 29.808 29.700 -0.025 0.000 0.940 186 E HN 0.568 nan 8.360 nan 0.000 0.473 187 G N 3.633 112.384 108.800 -0.082 0.000 2.184 187 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.264 187 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.264 187 G C 0.789 175.756 174.900 0.112 0.000 0.975 187 G CA 0.601 45.705 45.100 0.008 0.000 0.642 187 G HN 0.556 nan 8.290 nan 0.000 0.536 188 K N -0.133 120.284 120.400 0.028 0.000 2.355 188 K HA 0.164 4.484 4.320 -0.000 0.000 0.198 188 K C 0.674 177.358 176.600 0.141 0.000 1.039 188 K CA -0.053 56.287 56.287 0.089 0.000 1.075 188 K CB 0.189 32.700 32.500 0.019 0.000 0.870 188 K HN 0.617 nan 8.250 nan 0.000 0.540 189 H N 0.810 119.862 119.070 -0.030 0.000 2.591 189 H HA -0.112 4.443 4.556 -0.000 0.000 0.325 189 H C 0.199 175.494 175.328 -0.055 0.000 1.096 189 H CA 0.578 56.602 56.048 -0.040 0.000 1.108 189 H CB -2.077 27.666 29.762 -0.032 0.000 1.590 189 H HN 0.095 nan 8.280 nan 0.000 0.399 190 V N -0.775 119.127 119.914 -0.020 0.000 2.924 190 V HA 0.366 4.486 4.120 -0.000 0.000 0.305 190 V C -1.669 174.385 176.094 -0.066 0.000 1.073 190 V CA -1.428 60.848 62.300 -0.041 0.000 1.098 190 V CB 0.991 32.773 31.823 -0.068 0.000 1.000 190 V HN 0.043 nan 8.190 nan 0.000 0.484 191 P HA 0.123 nan 4.420 nan 0.000 0.273 191 P C 1.063 178.289 177.300 -0.123 0.000 1.250 191 P CA -0.517 62.537 63.100 -0.078 0.000 0.793 191 P CB 0.436 32.103 31.700 -0.055 0.000 1.011 192 L N 1.728 122.868 121.223 -0.137 0.000 1.990 192 L HA -0.225 4.115 4.340 -0.000 0.000 0.213 192 L C 1.544 178.332 176.870 -0.137 0.000 1.072 192 L CA 2.859 57.584 54.840 -0.191 0.000 0.755 192 L CB -1.186 40.785 42.059 -0.146 0.000 0.889 192 L HN 0.468 nan 8.230 nan 0.000 0.432 193 D N -0.001 120.353 120.400 -0.077 0.000 2.123 193 D HA -0.208 4.432 4.640 -0.000 0.000 0.196 193 D C 1.904 178.172 176.300 -0.053 0.000 0.992 193 D CA 1.594 55.568 54.000 -0.044 0.000 0.833 193 D CB -0.430 40.353 40.800 -0.027 0.000 0.954 193 D HN 0.374 nan 8.370 nan 0.000 0.455 194 A N 0.437 123.211 122.820 -0.076 0.000 1.929 194 A HA 0.061 4.381 4.320 -0.000 0.000 0.216 194 A C 2.461 179.973 177.584 -0.120 0.000 1.176 194 A CA 0.676 52.662 52.037 -0.085 0.000 0.628 194 A CB -0.820 18.132 19.000 -0.079 0.000 0.816 194 A HN 0.292 nan 8.150 nan 0.000 0.444 195 L N -0.594 120.525 121.223 -0.173 0.000 2.012 195 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 195 L C 2.667 179.412 176.870 -0.208 0.000 1.073 195 L CA 2.213 56.883 54.840 -0.283 0.000 0.748 195 L CB -0.346 41.455 42.059 -0.429 0.000 0.891 195 L HN 0.629 nan 8.230 nan 0.000 0.431 196 E N -0.280 119.889 120.200 -0.051 0.000 2.110 196 E HA -0.241 4.109 4.350 -0.000 0.000 0.193 196 E C 2.277 178.940 176.600 0.106 0.000 0.988 196 E CA 0.923 57.396 56.400 0.122 0.000 0.804 196 E CB 0.117 29.895 29.700 0.129 0.000 0.745 196 E HN 0.392 nan 8.360 nan 0.000 0.458 197 R N 0.106 120.625 120.500 0.031 0.000 2.081 197 R HA -0.119 4.220 4.340 -0.000 0.000 0.235 197 R C 2.486 178.791 176.300 0.009 0.000 1.131 197 R CA 1.353 57.464 56.100 0.018 0.000 0.960 197 R CB -0.346 29.906 30.300 -0.080 0.000 0.856 197 R HN 0.286 nan 8.270 nan 0.000 0.436 198 I N -0.024 120.532 120.570 -0.025 0.000 2.099 198 I HA -0.320 3.850 4.170 -0.000 0.000 0.239 198 I C 2.326 178.573 176.117 0.217 0.000 1.066 198 I CA 1.492 62.810 61.300 0.030 0.000 1.324 198 I CB -0.438 37.540 38.000 -0.037 0.000 1.037 198 I HN 0.189 nan 8.210 nan 0.000 0.401 199 H N 0.741 119.884 119.070 0.122 0.000 2.353 199 H HA -0.046 4.510 4.556 -0.000 0.000 0.300 199 H C 2.390 177.781 175.328 0.104 0.000 1.090 199 H CA 1.213 57.331 56.048 0.118 0.000 1.327 199 H CB -0.334 29.516 29.762 0.147 0.000 1.383 199 H HN 0.223 nan 8.280 nan 0.000 0.508 200 R N -0.268 120.390 120.500 0.264 0.000 2.096 200 R HA -0.105 4.235 4.340 -0.000 0.000 0.235 200 R C 2.118 178.512 176.300 0.155 0.000 1.127 200 R CA 1.191 57.398 56.100 0.178 0.000 0.968 200 R CB -0.195 30.214 30.300 0.183 0.000 0.861 200 R HN 0.590 nan 8.270 nan 0.000 0.440 201 H N 0.473 119.580 119.070 0.062 0.000 2.317 201 H HA -0.065 4.491 4.556 -0.000 0.000 0.304 201 H C 2.198 177.547 175.328 0.034 0.000 1.067 201 H CA 1.509 57.582 56.048 0.041 0.000 1.352 201 H CB 0.148 29.933 29.762 0.039 0.000 1.398 201 H HN 0.213 nan 8.280 nan 0.000 0.510 202 K N 0.425 120.935 120.400 0.184 0.000 2.217 202 K HA -0.029 4.291 4.320 -0.000 0.000 0.202 202 K C 1.213 177.836 176.600 0.038 0.000 1.051 202 K CA 1.818 58.165 56.287 0.100 0.000 0.952 202 K CB 0.197 32.760 32.500 0.104 0.000 0.736 202 K HN 0.018 nan 8.250 nan 0.000 0.453 203 T N -0.682 113.888 114.554 0.028 0.000 3.115 203 T HA 0.147 4.497 4.350 -0.000 0.000 0.256 203 T C 1.729 176.381 174.700 -0.081 0.000 0.970 203 T CA 0.270 62.341 62.100 -0.048 0.000 1.010 203 T CB 0.363 69.198 68.868 -0.055 0.000 1.151 203 T HN 0.426 nan 8.240 nan 0.000 0.479 204 G N 1.573 110.355 108.800 -0.029 0.000 2.418 204 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.217 204 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.217 204 G C 1.742 176.601 174.900 -0.069 0.000 1.158 204 G CA 1.128 46.199 45.100 -0.047 0.000 0.771 204 G HN 0.549 nan 8.290 nan 0.000 0.545 205 A N 0.255 123.035 122.820 -0.067 0.000 1.902 205 A HA 0.092 4.412 4.320 -0.000 0.000 0.217 205 A C 2.339 179.884 177.584 -0.066 0.000 1.181 205 A CA 1.626 53.615 52.037 -0.080 0.000 0.623 205 A CB -0.395 18.546 19.000 -0.098 0.000 0.818 205 A HN 0.419 nan 8.150 nan 0.000 0.443 206 L N -0.359 120.822 121.223 -0.071 0.000 2.156 206 L HA 0.024 4.364 4.340 -0.000 0.000 0.208 206 L C 2.140 178.945 176.870 -0.109 0.000 1.095 206 L CA 1.382 56.175 54.840 -0.078 0.000 0.770 206 L CB -0.344 41.669 42.059 -0.078 0.000 0.914 206 L HN 0.412 nan 8.230 nan 0.000 0.439 207 I N -0.787 119.696 120.570 -0.144 0.000 2.315 207 I HA -0.278 3.892 4.170 -0.000 0.000 0.248 207 I C 2.681 178.757 176.117 -0.068 0.000 1.117 207 I CA 1.190 62.400 61.300 -0.149 0.000 1.404 207 I CB -0.249 37.627 38.000 -0.207 0.000 1.071 207 I HN 0.272 nan 8.210 nan 0.000 0.419 208 R N 1.045 121.513 120.500 -0.054 0.000 2.115 208 R HA -0.141 4.199 4.340 -0.000 0.000 0.230 208 R C 2.322 178.616 176.300 -0.009 0.000 1.111 208 R CA 1.351 57.441 56.100 -0.016 0.000 0.976 208 R CB -0.165 30.122 30.300 -0.022 0.000 0.870 208 R HN 0.341 nan 8.270 nan 0.000 0.445 209 A N 0.814 123.616 122.820 -0.030 0.000 1.902 209 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 209 A C 2.347 179.912 177.584 -0.032 0.000 1.181 209 A CA 1.572 53.592 52.037 -0.028 0.000 0.623 209 A CB -0.744 18.236 19.000 -0.034 0.000 0.818 209 A HN 0.519 nan 8.150 nan 0.000 0.443 210 A N -0.427 122.367 122.820 -0.042 0.000 1.865 210 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 210 A C 2.248 179.830 177.584 -0.003 0.000 1.191 210 A CA 2.042 54.054 52.037 -0.042 0.000 0.623 210 A CB -1.080 17.892 19.000 -0.047 0.000 0.826 210 A HN 0.439 nan 8.150 nan 0.000 0.444 211 V N -0.186 119.753 119.914 0.042 0.000 2.343 211 V HA -0.269 3.851 4.120 -0.000 0.000 0.247 211 V C 2.639 178.772 176.094 0.065 0.000 1.051 211 V CA 2.284 64.638 62.300 0.090 0.000 1.036 211 V CB -0.845 31.077 31.823 0.164 0.000 0.654 211 V HN 0.519 nan 8.190 nan 0.000 0.451 212 R N -0.725 119.797 120.500 0.037 0.000 2.096 212 R HA -0.132 4.208 4.340 -0.000 0.000 0.235 212 R C 2.182 178.480 176.300 -0.004 0.000 1.127 212 R CA 1.233 57.343 56.100 0.017 0.000 0.968 212 R CB -0.408 29.895 30.300 0.005 0.000 0.861 212 R HN 0.310 nan 8.270 nan 0.000 0.440 213 L N -0.345 120.867 121.223 -0.017 0.000 2.093 213 L HA -0.026 4.314 4.340 -0.000 0.000 0.208 213 L C 2.380 179.231 176.870 -0.032 0.000 1.085 213 L CA 1.860 56.677 54.840 -0.037 0.000 0.755 213 L CB -1.076 40.945 42.059 -0.064 0.000 0.904 213 L HN 0.254 nan 8.230 nan 0.000 0.435 214 G N -1.135 107.655 108.800 -0.015 0.000 2.446 214 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.217 214 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.217 214 G C 1.688 176.627 174.900 0.065 0.000 1.168 214 G CA 0.902 46.012 45.100 0.016 0.000 0.771 214 G HN 0.502 nan 8.290 nan 0.000 0.551 215 A N 0.501 123.358 122.820 0.061 0.000 1.873 215 A HA 0.136 4.456 4.320 -0.000 0.000 0.215 215 A C 2.431 179.927 177.584 -0.146 0.000 1.186 215 A CA 1.236 53.249 52.037 -0.039 0.000 0.616 215 A CB -0.438 18.551 19.000 -0.019 0.000 0.823 215 A HN 0.340 nan 8.150 nan 0.000 0.442 216 L N 0.704 121.879 121.223 -0.081 0.000 2.191 216 L HA -0.184 4.156 4.340 -0.000 0.000 0.212 216 L C 2.929 179.755 176.870 -0.073 0.000 1.103 216 L CA 1.410 56.201 54.840 -0.081 0.000 0.769 216 L CB -0.430 41.599 42.059 -0.050 0.000 0.908 216 L HN 0.628 nan 8.230 nan 0.000 0.438 217 S N 0.052 115.722 115.700 -0.050 0.000 2.419 217 S HA -0.149 4.321 4.470 -0.000 0.000 0.233 217 S C 1.906 176.489 174.600 -0.029 0.000 1.016 217 S CA 0.877 59.061 58.200 -0.026 0.000 0.974 217 S CB -0.287 62.913 63.200 -0.001 0.000 0.786 217 S HN 0.353 nan 8.310 nan 0.000 0.492 218 A N 0.856 123.629 122.820 -0.078 0.000 2.251 218 A HA 0.574 4.894 4.320 -0.000 0.000 0.209 218 A C 1.598 179.095 177.584 -0.145 0.000 1.187 218 A CA 0.666 52.637 52.037 -0.109 0.000 0.823 218 A CB -1.278 17.566 19.000 -0.260 0.000 0.846 218 A HN 1.448 nan 8.150 nan 0.000 0.486 219 G N 0.123 108.845 108.800 -0.130 0.000 2.550 219 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.277 219 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.277 219 G C 0.537 175.353 174.900 -0.140 0.000 1.190 219 G CA 0.453 45.489 45.100 -0.106 0.000 0.971 219 G HN 0.234 nan 8.290 nan 0.000 0.559 220 D N 0.398 120.737 120.400 -0.102 0.000 2.117 220 D HA -0.023 4.617 4.640 -0.000 0.000 0.197 220 D C 2.454 178.676 176.300 -0.130 0.000 0.987 220 D CA 1.579 55.523 54.000 -0.093 0.000 0.829 220 D CB -0.201 40.566 40.800 -0.054 0.000 0.961 220 D HN 0.519 nan 8.370 nan 0.000 0.460 221 K N 0.037 120.345 120.400 -0.153 0.000 2.097 221 K HA -0.058 4.262 4.320 -0.000 0.000 0.206 221 K C 2.107 178.435 176.600 -0.454 0.000 1.049 221 K CA 1.187 57.366 56.287 -0.179 0.000 0.933 221 K CB -0.257 32.199 32.500 -0.073 0.000 0.717 221 K HN 0.112 nan 8.250 nan 0.000 0.442 222 G N 0.824 109.188 108.800 -0.726 0.000 2.402 222 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.216 222 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.216 222 G C 1.401 176.060 174.900 -0.401 0.000 1.162 222 G CA 0.473 44.985 45.100 -0.979 0.000 0.777 222 G HN 0.200 nan 8.290 nan 0.000 0.539 223 R N -0.048 120.305 120.500 -0.245 0.000 2.105 223 R HA -0.025 4.315 4.340 -0.000 0.000 0.239 223 R C 2.788 179.040 176.300 -0.080 0.000 1.135 223 R CA 1.195 57.221 56.100 -0.125 0.000 0.967 223 R CB -0.196 30.049 30.300 -0.091 0.000 0.861 223 R HN 0.251 nan 8.270 nan 0.000 0.442 224 R N -0.150 120.301 120.500 -0.082 0.000 2.148 224 R HA -0.035 4.305 4.340 -0.000 0.000 0.227 224 R C 2.007 178.312 176.300 0.009 0.000 1.103 224 R CA 1.265 57.348 56.100 -0.027 0.000 0.983 224 R CB -0.102 30.190 30.300 -0.014 0.000 0.874 224 R HN 0.180 nan 8.270 nan 0.000 0.451 225 A N 0.433 123.262 122.820 0.016 0.000 2.169 225 A HA 0.047 4.367 4.320 -0.000 0.000 0.212 225 A C 1.915 179.547 177.584 0.081 0.000 1.153 225 A CA 0.393 52.492 52.037 0.104 0.000 0.756 225 A CB -0.242 18.935 19.000 0.294 0.000 0.813 225 A HN 0.171 nan 8.150 nan 0.000 0.471 226 L N -0.289 120.953 121.223 0.033 0.000 2.042 226 L HA -0.140 4.199 4.340 -0.000 0.000 0.210 226 L C -0.476 176.422 176.870 0.047 0.000 1.076 226 L CA 1.532 56.394 54.840 0.036 0.000 0.749 226 L CB -1.354 40.709 42.059 0.005 0.000 0.893 226 L HN 0.225 nan 8.230 nan 0.000 0.432 227 P HA -0.171 nan 4.420 nan 0.000 0.215 227 P C 1.876 179.210 177.300 0.057 0.000 1.157 227 P CA 1.361 64.485 63.100 0.040 0.000 0.874 227 P CB 0.072 31.791 31.700 0.032 0.000 0.790 228 V N -1.063 118.890 119.914 0.065 0.000 2.407 228 V HA -0.146 3.973 4.120 -0.000 0.000 0.245 228 V C 2.421 178.581 176.094 0.109 0.000 1.041 228 V CA 1.338 63.685 62.300 0.078 0.000 1.040 228 V CB -1.142 30.721 31.823 0.067 0.000 0.671 228 V HN 0.048 nan 8.190 nan 0.000 0.455 229 L N -0.153 121.138 121.223 0.113 0.000 2.131 229 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 229 L C 2.324 179.309 176.870 0.192 0.000 1.092 229 L CA 1.352 56.284 54.840 0.153 0.000 0.759 229 L CB -0.650 41.493 42.059 0.140 0.000 0.903 229 L HN 0.338 nan 8.230 nan 0.000 0.435 230 D N 0.050 120.523 120.400 0.122 0.000 2.117 230 D HA -0.156 4.484 4.640 -0.000 0.000 0.197 230 D C 2.210 178.564 176.300 0.090 0.000 0.987 230 D CA 1.032 55.086 54.000 0.090 0.000 0.829 230 D CB -0.006 40.827 40.800 0.054 0.000 0.961 230 D HN 0.153 nan 8.370 nan 0.000 0.460 231 K N 0.164 120.623 120.400 0.099 0.000 2.097 231 K HA -0.151 4.168 4.320 -0.000 0.000 0.205 231 K C 2.211 178.871 176.600 0.101 0.000 1.050 231 K CA 0.539 56.876 56.287 0.082 0.000 0.938 231 K CB -0.851 31.695 32.500 0.076 0.000 0.718 231 K HN 0.349 nan 8.250 nan 0.000 0.442 232 Y N 1.739 122.057 120.300 0.029 0.000 2.145 232 Y HA -0.232 4.318 4.550 -0.000 0.000 0.286 232 Y C 2.258 178.175 175.900 0.029 0.000 1.145 232 Y CA 1.903 60.021 58.100 0.030 0.000 1.148 232 Y CB -0.398 38.085 38.460 0.038 0.000 0.981 232 Y HN 0.052 nan 8.280 nan 0.000 0.507 233 A N 0.326 123.164 122.820 0.029 0.000 1.902 233 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 233 A C 2.037 179.548 177.584 -0.122 0.000 1.181 233 A CA 1.846 53.833 52.037 -0.084 0.000 0.623 233 A CB -0.780 18.266 19.000 0.077 0.000 0.818 233 A HN 0.659 nan 8.150 nan 0.000 0.443 234 E N -0.179 119.987 120.200 -0.056 0.000 2.085 234 E HA -0.128 4.222 4.350 -0.000 0.000 0.194 234 E C 2.311 178.871 176.600 -0.067 0.000 0.994 234 E CA 1.501 57.875 56.400 -0.043 0.000 0.801 234 E CB -0.124 29.572 29.700 -0.008 0.000 0.743 234 E HN 0.580 nan 8.360 nan 0.000 0.453 235 S N 0.698 116.339 115.700 -0.098 0.000 2.371 235 S HA -0.098 4.372 4.470 -0.000 0.000 0.224 235 S C 2.187 176.697 174.600 -0.151 0.000 1.029 235 S CA 1.099 59.237 58.200 -0.103 0.000 0.978 235 S CB -0.249 62.900 63.200 -0.085 0.000 0.833 235 S HN 0.375 nan 8.310 nan 0.000 0.466 236 I N 0.084 120.492 120.570 -0.271 0.000 2.546 236 I HA 0.121 4.291 4.170 -0.000 0.000 0.255 236 I C 2.193 178.259 176.117 -0.086 0.000 1.163 236 I CA 1.259 62.424 61.300 -0.225 0.000 1.457 236 I CB -0.860 36.911 38.000 -0.382 0.000 1.092 236 I HN 0.217 nan 8.210 nan 0.000 0.434 237 G N 1.741 110.481 108.800 -0.101 0.000 2.394 237 G HA2 -0.187 3.772 3.960 -0.000 0.000 0.215 237 G HA3 -0.187 3.772 3.960 -0.000 0.000 0.215 237 G C 1.555 176.445 174.900 -0.016 0.000 1.165 237 G CA 0.887 45.951 45.100 -0.060 0.000 0.784 237 G HN 0.379 nan 8.290 nan 0.000 0.535 238 L N 1.484 122.689 121.223 -0.029 0.000 2.027 238 L HA 0.208 4.548 4.340 -0.000 0.000 0.206 238 L C 3.036 179.849 176.870 -0.094 0.000 1.074 238 L CA 2.114 56.937 54.840 -0.029 0.000 0.745 238 L CB -0.817 41.237 42.059 -0.008 0.000 0.898 238 L HN 0.225 nan 8.230 nan 0.000 0.433 239 A N -1.106 121.657 122.820 -0.094 0.000 1.978 239 A HA -0.284 4.036 4.320 -0.000 0.000 0.220 239 A C 2.309 179.822 177.584 -0.118 0.000 1.170 239 A CA 1.933 53.891 52.037 -0.131 0.000 0.636 239 A CB -1.221 17.709 19.000 -0.117 0.000 0.810 239 A HN 0.551 nan 8.150 nan 0.000 0.448 240 F N -0.042 119.797 119.950 -0.185 0.000 2.102 240 F HA -0.220 4.307 4.527 -0.000 0.000 0.298 240 F C 2.563 178.243 175.800 -0.200 0.000 1.105 240 F CA 2.195 60.091 58.000 -0.174 0.000 1.239 240 F CB -0.025 38.887 39.000 -0.146 0.000 0.991 240 F HN 0.311 nan 8.300 nan 0.000 0.474 241 Q N 0.065 119.882 119.800 0.028 0.000 2.123 241 Q HA -0.126 4.214 4.340 -0.000 0.000 0.199 241 Q C 2.224 178.034 176.000 -0.317 0.000 0.966 241 Q CA 1.582 57.270 55.803 -0.192 0.000 0.845 241 Q CB -0.672 27.812 28.738 -0.424 0.000 0.907 241 Q HN 0.389 nan 8.270 nan 0.000 0.439 242 V N 0.152 119.864 119.914 -0.337 0.000 2.407 242 V HA -0.278 3.842 4.120 -0.000 0.000 0.248 242 V C 2.133 178.102 176.094 -0.208 0.000 1.055 242 V CA 2.468 64.555 62.300 -0.354 0.000 1.049 242 V CB -0.285 31.173 31.823 -0.608 0.000 0.662 242 V HN 0.525 nan 8.190 nan 0.000 0.455 243 Q N 0.401 120.062 119.800 -0.232 0.000 2.119 243 Q HA -0.216 4.124 4.340 -0.000 0.000 0.201 243 Q C 1.828 177.704 176.000 -0.207 0.000 0.972 243 Q CA 2.517 58.179 55.803 -0.234 0.000 0.847 243 Q CB -0.606 27.929 28.738 -0.338 0.000 0.903 243 Q HN 0.829 nan 8.270 nan 0.000 0.433 244 D N -0.496 119.783 120.400 -0.202 0.000 2.117 244 D HA -0.170 4.469 4.640 -0.000 0.000 0.197 244 D C 1.046 177.302 176.300 -0.073 0.000 0.987 244 D CA 1.579 55.503 54.000 -0.125 0.000 0.829 244 D CB -0.104 40.662 40.800 -0.057 0.000 0.961 244 D HN 0.303 nan 8.370 nan 0.000 0.460 245 D N -0.331 120.032 120.400 -0.061 0.000 2.117 245 D HA -0.098 4.541 4.640 -0.000 0.000 0.198 245 D C 2.195 178.499 176.300 0.007 0.000 0.982 245 D CA 0.575 54.582 54.000 0.012 0.000 0.828 245 D CB -0.222 40.640 40.800 0.104 0.000 0.967 245 D HN 0.373 nan 8.370 nan 0.000 0.464 246 I N 0.449 121.007 120.570 -0.021 0.000 2.226 246 I HA -0.219 3.951 4.170 -0.000 0.000 0.245 246 I C 2.305 178.402 176.117 -0.034 0.000 1.100 246 I CA 0.670 61.957 61.300 -0.022 0.000 1.374 246 I CB -0.077 37.895 38.000 -0.046 0.000 1.057 246 I HN -0.029 nan 8.210 nan 0.000 0.413 247 L N -0.071 121.117 121.223 -0.060 0.000 2.131 247 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 247 L C 2.269 179.121 176.870 -0.029 0.000 1.092 247 L CA 1.212 56.018 54.840 -0.057 0.000 0.759 247 L CB -0.647 41.361 42.059 -0.085 0.000 0.903 247 L HN 0.360 nan 8.230 nan 0.000 0.435 248 D N -0.147 120.243 120.400 -0.018 0.000 2.144 248 D HA -0.139 4.500 4.640 -0.000 0.000 0.199 248 D C 2.075 178.378 176.300 0.004 0.000 0.984 248 D CA 1.223 55.222 54.000 -0.001 0.000 0.834 248 D CB 0.449 41.255 40.800 0.010 0.000 0.955 248 D HN 0.143 nan 8.370 nan 0.000 0.465 249 V N 0.887 120.805 119.914 0.005 0.000 2.273 249 V HA -0.167 3.952 4.120 -0.000 0.000 0.242 249 V C 2.562 178.658 176.094 0.002 0.000 1.035 249 V CA 1.702 64.008 62.300 0.009 0.000 1.013 249 V CB -0.276 31.556 31.823 0.015 0.000 0.652 249 V HN 0.242 nan 8.190 nan 0.000 0.452 250 V N -1.164 118.747 119.914 -0.005 0.000 3.590 250 V HA 0.477 4.597 4.120 -0.000 0.000 0.265 250 V C 1.063 177.150 176.094 -0.012 0.000 1.239 250 V CA 0.552 62.847 62.300 -0.008 0.000 1.117 250 V CB -0.624 31.192 31.823 -0.012 0.000 0.818 250 V HN 0.345 nan 8.190 nan 0.000 0.451 251 G N 0.289 109.080 108.800 -0.015 0.000 2.476 251 G HA2 0.340 4.300 3.960 -0.000 0.000 0.269 251 G HA3 0.340 4.300 3.960 -0.000 0.000 0.269 251 G C -0.993 173.903 174.900 -0.007 0.000 1.195 251 G CA -0.195 44.896 45.100 -0.016 0.000 0.843 251 G HN 0.276 nan 8.290 nan 0.000 0.545 252 D N 0.056 120.453 120.400 -0.005 0.000 2.255 252 D HA 0.200 4.840 4.640 -0.000 0.000 0.249 252 D C 1.583 177.885 176.300 0.003 0.000 1.078 252 D CA -0.232 53.768 54.000 0.001 0.000 0.896 252 D CB 1.548 42.349 40.800 0.002 0.000 1.194 252 D HN 0.206 nan 8.370 nan 0.000 0.429 253 T N 2.482 117.040 114.554 0.007 0.000 2.699 253 T HA -0.169 4.181 4.350 -0.000 0.000 0.268 253 T C 1.655 176.362 174.700 0.012 0.000 1.036 253 T CA 1.703 63.809 62.100 0.011 0.000 1.147 253 T CB -0.001 68.874 68.868 0.013 0.000 0.862 253 T HN 0.571 nan 8.240 nan 0.000 0.446 254 A N 0.747 123.573 122.820 0.010 0.000 2.015 254 A HA -0.053 4.267 4.320 -0.000 0.000 0.219 254 A C 2.482 180.073 177.584 0.012 0.000 1.163 254 A CA 1.712 53.756 52.037 0.011 0.000 0.646 254 A CB -0.758 18.248 19.000 0.010 0.000 0.806 254 A HN 0.476 nan 8.150 nan 0.000 0.448 255 T N 0.046 114.605 114.554 0.009 0.000 2.852 255 T HA 0.074 4.424 4.350 -0.000 0.000 0.256 255 T C 1.788 176.493 174.700 0.009 0.000 1.038 255 T CA 1.039 63.145 62.100 0.009 0.000 1.141 255 T CB -0.275 68.595 68.868 0.004 0.000 0.869 255 T HN 0.340 nan 8.240 nan 0.000 0.439 256 L N 0.658 121.884 121.223 0.005 0.000 2.083 256 L HA 0.075 4.415 4.340 -0.000 0.000 0.209 256 L C 2.332 179.212 176.870 0.017 0.000 1.083 256 L CA 1.156 55.999 54.840 0.005 0.000 0.752 256 L CB -0.806 41.254 42.059 0.002 0.000 0.899 256 L HN 0.562 nan 8.230 nan 0.000 0.433 257 G N 0.376 109.187 108.800 0.019 0.000 2.179 257 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.260 257 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.260 257 G C 0.246 175.163 174.900 0.029 0.000 0.977 257 G CA 0.711 45.825 45.100 0.024 0.000 0.641 257 G HN 0.510 nan 8.290 nan 0.000 0.533 258 K N -0.806 119.610 120.400 0.027 0.000 2.482 258 K HA 0.716 5.036 4.320 -0.000 0.000 0.257 258 K C -0.313 176.302 176.600 0.025 0.000 0.969 258 K CA -1.308 54.998 56.287 0.032 0.000 0.842 258 K CB 1.615 34.136 32.500 0.036 0.000 1.359 258 K HN 0.069 nan 8.250 nan 0.000 0.441 259 R N 2.020 122.537 120.500 0.028 0.000 2.421 259 R HA -0.006 4.334 4.340 -0.000 0.000 0.305 259 R C 0.047 176.359 176.300 0.019 0.000 1.039 259 R CA -0.063 56.051 56.100 0.024 0.000 1.003 259 R CB 0.667 30.983 30.300 0.027 0.000 0.959 259 R HN 0.605 nan 8.270 nan 0.000 0.427 260 Q N 1.118 120.927 119.800 0.014 0.000 2.349 260 Q HA -0.002 4.338 4.340 -0.000 0.000 0.287 260 Q C 0.721 176.729 176.000 0.014 0.000 1.044 260 Q CA 1.220 57.030 55.803 0.011 0.000 0.918 260 Q CB 0.507 29.250 28.738 0.008 0.000 1.242 260 Q HN 0.889 nan 8.270 nan 0.000 0.405 261 G N 2.332 111.141 108.800 0.014 0.000 2.148 261 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.254 261 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.254 261 G C 0.695 175.606 174.900 0.019 0.000 0.981 261 G CA 0.587 45.697 45.100 0.017 0.000 0.670 261 G HN 0.940 nan 8.290 nan 0.000 0.528 262 A N 0.007 122.838 122.820 0.020 0.000 1.933 262 A HA 0.047 4.367 4.320 -0.000 0.000 0.218 262 A C 2.053 179.649 177.584 0.020 0.000 1.175 262 A CA 2.323 54.373 52.037 0.022 0.000 0.628 262 A CB -0.300 18.715 19.000 0.025 0.000 0.814 262 A HN 0.400 nan 8.150 nan 0.000 0.444 263 D N -1.000 119.412 120.400 0.020 0.000 2.117 263 D HA -0.140 4.499 4.640 -0.000 0.000 0.198 263 D C 2.067 178.373 176.300 0.010 0.000 0.982 263 D CA 1.512 55.523 54.000 0.018 0.000 0.828 263 D CB -0.402 40.414 40.800 0.026 0.000 0.967 263 D HN 0.677 nan 8.370 nan 0.000 0.464 264 Q N 0.373 120.182 119.800 0.015 0.000 2.124 264 Q HA -0.191 4.149 4.340 -0.000 0.000 0.202 264 Q C 2.127 178.138 176.000 0.018 0.000 0.977 264 Q CA 1.274 57.087 55.803 0.018 0.000 0.850 264 Q CB 0.042 28.794 28.738 0.023 0.000 0.901 264 Q HN 0.249 nan 8.270 nan 0.000 0.429 265 Q N -0.250 119.561 119.800 0.017 0.000 2.124 265 Q HA -0.121 4.219 4.340 -0.000 0.000 0.202 265 Q C 1.466 177.475 176.000 0.015 0.000 0.977 265 Q CA 1.093 56.907 55.803 0.018 0.000 0.850 265 Q CB 0.123 28.872 28.738 0.019 0.000 0.901 265 Q HN 0.440 nan 8.270 nan 0.000 0.429 266 L N -1.003 120.225 121.223 0.009 0.000 2.607 266 L HA 0.264 4.604 4.340 -0.000 0.000 0.228 266 L C 0.983 177.847 176.870 -0.011 0.000 1.123 266 L CA 0.354 55.197 54.840 0.004 0.000 0.890 266 L CB 0.105 42.166 42.059 0.004 0.000 1.103 266 L HN 0.455 nan 8.230 nan 0.000 0.468 267 G N 1.246 110.035 108.800 -0.018 0.000 2.249 267 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.273 267 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.273 267 G C 0.237 175.057 174.900 -0.133 0.000 1.036 267 G CA 0.049 45.110 45.100 -0.065 0.000 0.824 267 G HN 0.238 nan 8.290 nan 0.000 0.504 268 K N 0.563 120.915 120.400 -0.079 0.000 2.489 268 K HA 0.205 4.525 4.320 -0.000 0.000 0.278 268 K C 0.814 177.340 176.600 -0.124 0.000 1.000 268 K CA 0.105 56.350 56.287 -0.070 0.000 1.012 268 K CB 0.663 33.160 32.500 -0.004 0.000 0.903 268 K HN 0.237 nan 8.250 nan 0.000 0.485 269 S N 2.105 117.725 115.700 -0.134 0.000 2.481 269 S HA 0.073 4.543 4.470 -0.000 0.000 0.282 269 S C 0.628 175.202 174.600 -0.042 0.000 1.243 269 S CA -0.272 57.845 58.200 -0.138 0.000 1.078 269 S CB 0.090 63.205 63.200 -0.142 0.000 0.916 269 S HN 0.665 nan 8.310 nan 0.000 0.495 270 T N 0.632 115.182 114.554 -0.007 0.000 2.887 270 T HA 0.504 4.854 4.350 -0.000 0.000 0.292 270 T C 0.546 175.311 174.700 0.109 0.000 1.087 270 T CA -0.830 61.353 62.100 0.139 0.000 1.009 270 T CB 0.502 69.461 68.868 0.151 0.000 1.203 270 T HN 0.356 nan 8.240 nan 0.000 0.518 271 Y N 1.270 121.634 120.300 0.108 0.000 2.114 271 Y HA 0.032 4.582 4.550 -0.000 0.000 0.284 271 Y C -0.344 175.579 175.900 0.039 0.000 1.143 271 Y CA 1.931 60.071 58.100 0.066 0.000 1.135 271 Y CB -1.171 37.345 38.460 0.093 0.000 0.980 271 Y HN 0.539 nan 8.280 nan 0.000 0.499 272 P HA -0.166 nan 4.420 nan 0.000 0.218 272 P C 1.124 178.462 177.300 0.063 0.000 1.149 272 P CA 2.118 65.278 63.100 0.099 0.000 0.817 272 P CB -0.148 31.599 31.700 0.078 0.000 0.785 273 A N -0.253 122.601 122.820 0.057 0.000 1.898 273 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 273 A C 2.221 179.831 177.584 0.043 0.000 1.181 273 A CA 1.456 53.521 52.037 0.048 0.000 0.620 273 A CB -1.578 17.441 19.000 0.032 0.000 0.819 273 A HN 0.168 nan 8.150 nan 0.000 0.442 274 L N -0.552 120.674 121.223 0.006 0.000 2.007 274 L HA 0.032 4.372 4.340 -0.000 0.000 0.205 274 L C 2.051 178.911 176.870 -0.017 0.000 1.073 274 L CA 1.824 56.651 54.840 -0.022 0.000 0.744 274 L CB -0.330 41.663 42.059 -0.110 0.000 0.898 274 L HN 0.365 nan 8.230 nan 0.000 0.435 275 L N -0.840 120.374 121.223 -0.015 0.000 2.554 275 L HA 0.392 4.732 4.340 -0.000 0.000 0.225 275 L C 0.941 177.824 176.870 0.022 0.000 1.104 275 L CA 0.156 54.997 54.840 0.001 0.000 0.866 275 L CB -0.698 41.371 42.059 0.016 0.000 1.047 275 L HN 0.465 nan 8.230 nan 0.000 0.468 276 G N -0.005 108.813 108.800 0.031 0.000 2.758 276 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.686 276 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.686 276 G C 0.257 175.182 174.900 0.041 0.000 1.389 276 G CA -0.377 44.742 45.100 0.032 0.000 0.845 276 G HN 0.030 nan 8.290 nan 0.000 0.572 277 L N 0.082 121.325 121.223 0.032 0.000 2.083 277 L HA -0.038 4.302 4.340 -0.000 0.000 0.209 277 L C 2.814 179.699 176.870 0.026 0.000 1.083 277 L CA 2.299 57.156 54.840 0.029 0.000 0.752 277 L CB -0.264 41.805 42.059 0.017 0.000 0.899 277 L HN 0.913 nan 8.230 nan 0.000 0.433 278 E N 0.070 120.283 120.200 0.021 0.000 2.047 278 E HA -0.261 4.089 4.350 -0.000 0.000 0.191 278 E C 2.150 178.765 176.600 0.025 0.000 0.987 278 E CA 1.246 57.656 56.400 0.017 0.000 0.799 278 E CB 0.022 29.729 29.700 0.012 0.000 0.752 278 E HN 0.513 nan 8.360 nan 0.000 0.449 279 Q N -0.168 119.653 119.800 0.035 0.000 2.172 279 Q HA -0.039 4.301 4.340 -0.000 0.000 0.200 279 Q C 2.135 178.183 176.000 0.079 0.000 0.964 279 Q CA 0.988 56.820 55.803 0.047 0.000 0.855 279 Q CB 0.010 28.774 28.738 0.043 0.000 0.918 279 Q HN 0.369 nan 8.270 nan 0.000 0.444 280 A N 1.326 124.204 122.820 0.096 0.000 1.873 280 A HA -0.189 4.131 4.320 -0.000 0.000 0.215 280 A C 1.986 179.602 177.584 0.052 0.000 1.186 280 A CA 1.211 53.332 52.037 0.140 0.000 0.616 280 A CB -0.345 18.743 19.000 0.147 0.000 0.823 280 A HN 0.185 nan 8.150 nan 0.000 0.442 281 R N -0.629 119.885 120.500 0.022 0.000 2.091 281 R HA -0.168 4.172 4.340 -0.000 0.000 0.238 281 R C 2.313 178.606 176.300 -0.011 0.000 1.136 281 R CA 1.763 57.856 56.100 -0.012 0.000 0.959 281 R CB -0.218 30.075 30.300 -0.013 0.000 0.856 281 R HN 0.481 nan 8.270 nan 0.000 0.437 282 K N 1.201 121.606 120.400 0.008 0.000 2.057 282 K HA -0.113 4.207 4.320 -0.000 0.000 0.207 282 K C 1.741 178.349 176.600 0.013 0.000 1.049 282 K CA 1.502 57.795 56.287 0.009 0.000 0.931 282 K CB 0.083 32.595 32.500 0.019 0.000 0.714 282 K HN -0.079 nan 8.250 nan 0.000 0.440 283 K N 0.164 120.585 120.400 0.035 0.000 2.057 283 K HA -0.081 4.239 4.320 -0.000 0.000 0.207 283 K C 2.151 178.739 176.600 -0.021 0.000 1.049 283 K CA 1.342 57.655 56.287 0.042 0.000 0.931 283 K CB -0.401 32.177 32.500 0.131 0.000 0.714 283 K HN 0.282 nan 8.250 nan 0.000 0.440 284 A N 1.699 124.485 122.820 -0.057 0.000 1.902 284 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 284 A C 2.241 179.781 177.584 -0.073 0.000 1.181 284 A CA 1.637 53.615 52.037 -0.098 0.000 0.623 284 A CB -0.468 18.459 19.000 -0.122 0.000 0.818 284 A HN 0.303 nan 8.150 nan 0.000 0.443 285 R N -0.389 120.080 120.500 -0.051 0.000 2.075 285 R HA -0.156 4.184 4.340 -0.000 0.000 0.232 285 R C 1.268 177.551 176.300 -0.028 0.000 1.126 285 R CA 1.832 57.907 56.100 -0.041 0.000 0.963 285 R CB -0.342 29.939 30.300 -0.030 0.000 0.858 285 R HN 0.399 nan 8.270 nan 0.000 0.435 286 D N 0.614 121.004 120.400 -0.017 0.000 2.178 286 D HA -0.130 4.510 4.640 -0.000 0.000 0.202 286 D C 1.973 178.266 176.300 -0.011 0.000 0.974 286 D CA 0.956 54.952 54.000 -0.006 0.000 0.841 286 D CB -0.060 40.743 40.800 0.006 0.000 0.953 286 D HN 0.286 nan 8.370 nan 0.000 0.478 287 L N 0.350 121.558 121.223 -0.025 0.000 2.056 287 L HA -0.144 4.196 4.340 -0.000 0.000 0.207 287 L C 2.202 179.045 176.870 -0.045 0.000 1.078 287 L CA 0.507 55.325 54.840 -0.036 0.000 0.749 287 L CB -0.141 41.883 42.059 -0.059 0.000 0.901 287 L HN 0.032 nan 8.230 nan 0.000 0.433 288 I N -0.233 120.307 120.570 -0.049 0.000 2.252 288 I HA -0.237 3.933 4.170 -0.000 0.000 0.245 288 I C 2.130 178.240 176.117 -0.011 0.000 1.102 288 I CA 1.317 62.591 61.300 -0.043 0.000 1.385 288 I CB -1.201 36.767 38.000 -0.053 0.000 1.064 288 I HN 0.246 nan 8.210 nan 0.000 0.414 289 D N 0.502 120.897 120.400 -0.008 0.000 2.149 289 D HA -0.231 4.408 4.640 -0.000 0.000 0.198 289 D C 1.873 178.184 176.300 0.018 0.000 0.990 289 D CA 1.454 55.458 54.000 0.005 0.000 0.839 289 D CB -0.271 40.530 40.800 0.002 0.000 0.948 289 D HN 0.440 nan 8.370 nan 0.000 0.460 290 D N 0.032 120.440 120.400 0.013 0.000 2.144 290 D HA -0.054 4.586 4.640 -0.000 0.000 0.200 290 D C 1.972 178.300 176.300 0.046 0.000 0.978 290 D CA 1.343 55.358 54.000 0.024 0.000 0.833 290 D CB 0.085 40.893 40.800 0.014 0.000 0.961 290 D HN 0.086 nan 8.370 nan 0.000 0.470 291 A N 0.389 123.232 122.820 0.038 0.000 1.902 291 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 291 A C 2.252 179.961 177.584 0.208 0.000 1.181 291 A CA 1.139 53.237 52.037 0.102 0.000 0.623 291 A CB -0.496 18.479 19.000 -0.043 0.000 0.818 291 A HN 0.177 nan 8.150 nan 0.000 0.443 292 R N -0.922 119.651 120.500 0.123 0.000 2.096 292 R HA -0.125 4.215 4.340 -0.000 0.000 0.235 292 R C 2.408 178.752 176.300 0.074 0.000 1.127 292 R CA 1.371 57.530 56.100 0.098 0.000 0.968 292 R CB -0.248 30.083 30.300 0.052 0.000 0.861 292 R HN 0.521 nan 8.270 nan 0.000 0.440 293 Q N 0.168 120.006 119.800 0.063 0.000 2.050 293 Q HA -0.084 4.256 4.340 -0.000 0.000 0.202 293 Q C 2.211 178.245 176.000 0.057 0.000 0.980 293 Q CA 1.552 57.384 55.803 0.048 0.000 0.840 293 Q CB -0.277 28.485 28.738 0.040 0.000 0.898 293 Q HN 0.212 nan 8.270 nan 0.000 0.424 294 S N 1.132 116.883 115.700 0.085 0.000 2.370 294 S HA -0.104 4.366 4.470 -0.000 0.000 0.226 294 S C 2.078 176.717 174.600 0.065 0.000 1.033 294 S CA 0.918 59.174 58.200 0.093 0.000 1.011 294 S CB -0.292 62.999 63.200 0.151 0.000 0.852 294 S HN 0.305 nan 8.310 nan 0.000 0.457 295 L N 1.068 122.328 121.223 0.061 0.000 2.131 295 L HA -0.128 4.212 4.340 -0.000 0.000 0.210 295 L C 2.377 179.240 176.870 -0.012 0.000 1.092 295 L CA 1.102 55.930 54.840 -0.019 0.000 0.759 295 L CB -0.491 41.539 42.059 -0.048 0.000 0.903 295 L HN 0.279 nan 8.230 nan 0.000 0.435 296 K N -0.043 120.364 120.400 0.011 0.000 2.103 296 K HA -0.229 4.091 4.320 -0.000 0.000 0.207 296 K C 2.111 178.715 176.600 0.006 0.000 1.048 296 K CA 1.406 57.697 56.287 0.007 0.000 0.930 296 K CB -0.153 32.356 32.500 0.014 0.000 0.716 296 K HN 0.454 nan 8.250 nan 0.000 0.444 297 Q N 0.478 120.286 119.800 0.014 0.000 2.170 297 Q HA -0.116 4.224 4.340 -0.000 0.000 0.203 297 Q C 2.117 178.125 176.000 0.012 0.000 0.976 297 Q CA 1.090 56.903 55.803 0.017 0.000 0.858 297 Q CB -0.077 28.677 28.738 0.027 0.000 0.907 297 Q HN 0.341 nan 8.270 nan 0.000 0.433 298 L N -0.283 120.941 121.223 0.000 0.000 2.131 298 L HA -0.025 4.315 4.340 -0.000 0.000 0.206 298 L C 2.445 179.299 176.870 -0.026 0.000 1.087 298 L CA 0.630 55.463 54.840 -0.011 0.000 0.767 298 L CB -0.508 41.527 42.059 -0.041 0.000 0.917 298 L HN 0.155 nan 8.230 nan 0.000 0.441 299 A N -0.050 122.752 122.820 -0.030 0.000 2.019 299 A HA -0.228 4.092 4.320 -0.000 0.000 0.219 299 A C 2.153 179.728 177.584 -0.015 0.000 1.164 299 A CA 1.537 53.556 52.037 -0.029 0.000 0.644 299 A CB -0.388 18.596 19.000 -0.025 0.000 0.805 299 A HN 0.399 nan 8.150 nan 0.000 0.449 300 E N -0.137 120.060 120.200 -0.005 0.000 2.204 300 E HA -0.168 4.182 4.350 -0.000 0.000 0.195 300 E C 1.422 178.024 176.600 0.004 0.000 0.990 300 E CA 1.125 57.525 56.400 0.001 0.000 0.821 300 E CB -0.060 29.644 29.700 0.007 0.000 0.750 300 E HN 0.776 nan 8.360 nan 0.000 0.477 301 Q N -0.619 119.185 119.800 0.005 0.000 2.212 301 Q HA 0.214 4.554 4.340 -0.000 0.000 0.213 301 Q C -0.215 175.788 176.000 0.005 0.000 0.874 301 Q CA 0.075 55.886 55.803 0.013 0.000 0.965 301 Q CB 0.878 29.634 28.738 0.030 0.000 1.074 301 Q HN 0.002 nan 8.270 nan 0.000 0.473 302 S N 0.354 116.049 115.700 -0.008 0.000 3.635 302 S HA -0.150 4.320 4.470 -0.000 0.000 0.328 302 S C -0.063 174.516 174.600 -0.035 0.000 1.135 302 S CA 0.328 58.518 58.200 -0.016 0.000 0.942 302 S CB -1.421 61.776 63.200 -0.007 0.000 0.930 302 S HN 0.435 nan 8.310 nan 0.000 0.512 303 L N 1.426 122.615 121.223 -0.057 0.000 2.312 303 L HA 0.424 4.764 4.340 -0.000 0.000 0.281 303 L C 0.519 177.323 176.870 -0.111 0.000 1.070 303 L CA -0.662 54.107 54.840 -0.119 0.000 0.805 303 L CB 0.612 42.563 42.059 -0.180 0.000 1.174 303 L HN 0.062 nan 8.230 nan 0.000 0.434 304 D N 1.672 122.001 120.400 -0.118 0.000 2.359 304 D HA 0.018 4.658 4.640 -0.000 0.000 0.250 304 D C 0.976 177.219 176.300 -0.095 0.000 1.264 304 D CA -0.104 53.845 54.000 -0.085 0.000 0.911 304 D CB 1.039 41.799 40.800 -0.067 0.000 1.056 304 D HN 0.623 nan 8.370 nan 0.000 0.499 305 T N -0.433 114.073 114.554 -0.080 0.000 3.163 305 T HA -0.013 4.337 4.350 -0.000 0.000 0.252 305 T C 1.697 176.376 174.700 -0.035 0.000 1.056 305 T CA 0.328 62.375 62.100 -0.088 0.000 0.947 305 T CB -0.142 68.666 68.868 -0.099 0.000 1.016 305 T HN 0.214 nan 8.240 nan 0.000 0.554 306 S N 1.902 117.599 115.700 -0.005 0.000 2.368 306 S HA 0.007 4.477 4.470 -0.000 0.000 0.225 306 S C 2.397 177.052 174.600 0.091 0.000 1.030 306 S CA 0.698 58.915 58.200 0.029 0.000 0.999 306 S CB -0.890 62.327 63.200 0.029 0.000 0.844 306 S HN 0.670 nan 8.310 nan 0.000 0.459 307 A N 1.868 124.774 122.820 0.143 0.000 1.930 307 A HA 0.225 4.545 4.320 -0.000 0.000 0.217 307 A C 2.322 180.115 177.584 0.348 0.000 1.175 307 A CA 1.211 53.442 52.037 0.324 0.000 0.627 307 A CB -0.771 18.417 19.000 0.313 0.000 0.815 307 A HN 0.541 nan 8.150 nan 0.000 0.443 308 L N -0.041 121.289 121.223 0.177 0.000 2.156 308 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 308 L C 2.693 179.653 176.870 0.150 0.000 1.095 308 L CA 1.509 56.428 54.840 0.132 0.000 0.770 308 L CB -0.560 41.374 42.059 -0.209 0.000 0.914 308 L HN 0.672 nan 8.230 nan 0.000 0.439 309 E N 0.521 120.761 120.200 0.068 0.000 2.112 309 E HA -0.129 4.221 4.350 -0.000 0.000 0.190 309 E C 2.198 178.778 176.600 -0.033 0.000 0.979 309 E CA 1.010 57.441 56.400 0.052 0.000 0.814 309 E CB -0.192 29.518 29.700 0.017 0.000 0.762 309 E HN 0.365 nan 8.360 nan 0.000 0.460 310 A N 2.391 125.148 122.820 -0.104 0.000 1.930 310 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 310 A C 2.258 179.432 177.584 -0.684 0.000 1.175 310 A CA 0.877 52.651 52.037 -0.438 0.000 0.627 310 A CB -0.514 18.196 19.000 -0.484 0.000 0.815 310 A HN 0.323 nan 8.150 nan 0.000 0.443 311 L N -0.287 120.779 121.223 -0.261 0.000 2.056 311 L HA -0.124 4.216 4.340 -0.000 0.000 0.207 311 L C 2.677 179.547 176.870 -0.000 0.000 1.078 311 L CA 2.304 57.098 54.840 -0.078 0.000 0.749 311 L CB -1.309 40.806 42.059 0.093 0.000 0.901 311 L HN 0.406 nan 8.230 nan 0.000 0.433 312 A N -0.107 122.746 122.820 0.055 0.000 1.883 312 A HA -0.253 4.066 4.320 -0.000 0.000 0.217 312 A C 1.877 179.435 177.584 -0.044 0.000 1.186 312 A CA 2.007 54.066 52.037 0.035 0.000 0.624 312 A CB -0.658 18.416 19.000 0.122 0.000 0.822 312 A HN 0.500 nan 8.150 nan 0.000 0.444 313 D N -1.954 118.397 120.400 -0.081 0.000 2.117 313 D HA -0.132 4.507 4.640 -0.000 0.000 0.198 313 D C 1.679 177.925 176.300 -0.090 0.000 0.982 313 D CA 1.385 55.326 54.000 -0.097 0.000 0.828 313 D CB -0.459 40.270 40.800 -0.119 0.000 0.967 313 D HN 0.671 nan 8.370 nan 0.000 0.464 314 Y N 1.093 121.241 120.300 -0.252 0.000 2.224 314 Y HA -0.136 4.414 4.550 -0.000 0.000 0.289 314 Y C 2.164 177.979 175.900 -0.143 0.000 1.146 314 Y CA 0.962 58.957 58.100 -0.175 0.000 1.182 314 Y CB -0.128 38.269 38.460 -0.106 0.000 0.983 314 Y HN -0.111 nan 8.280 nan 0.000 0.524 315 I N 0.768 121.219 120.570 -0.199 0.000 2.399 315 I HA -0.307 3.863 4.170 -0.000 0.000 0.254 315 I C 1.927 177.799 176.117 -0.408 0.000 1.146 315 I CA 1.922 63.016 61.300 -0.344 0.000 1.412 315 I CB -0.239 37.670 38.000 -0.152 0.000 1.076 315 I HN 0.473 nan 8.210 nan 0.000 0.432 316 I N -3.685 116.715 120.570 -0.284 0.000 4.139 316 I HA 0.086 4.256 4.170 -0.000 0.000 0.335 316 I C 1.771 177.761 176.117 -0.211 0.000 1.327 316 I CA 0.224 61.379 61.300 -0.242 0.000 1.112 316 I CB 0.037 37.937 38.000 -0.167 0.000 1.058 316 I HN 0.050 nan 8.210 nan 0.000 0.396 317 Q N 2.040 121.709 119.800 -0.218 0.000 2.396 317 Q HA 0.174 4.514 4.340 -0.000 0.000 0.209 317 Q C 0.659 176.541 176.000 -0.196 0.000 0.906 317 Q CA -0.137 55.577 55.803 -0.148 0.000 0.927 317 Q CB 0.331 29.034 28.738 -0.059 0.000 1.069 317 Q HN 0.565 nan 8.270 nan 0.000 0.523 318 R N 0.740 120.985 120.500 -0.425 0.000 2.694 318 R HA 0.100 4.440 4.340 -0.000 0.000 0.268 318 R C -0.031 176.108 176.300 -0.268 0.000 1.061 318 R CA 0.176 55.981 56.100 -0.491 0.000 1.133 318 R CB 0.332 30.001 30.300 -1.051 0.000 1.020 318 R HN -0.057 nan 8.270 nan 0.000 0.475 319 N N 0.722 119.330 118.700 -0.154 0.000 2.200 319 N HA 0.068 4.808 4.740 -0.000 0.000 0.224 319 N C -0.967 174.494 175.510 -0.081 0.000 1.179 319 N CA -0.013 52.978 53.050 -0.098 0.000 0.877 319 N CB 0.660 39.121 38.487 -0.044 0.000 1.072 319 N HN 0.625 nan 8.380 nan 0.000 0.519 320 K N 0.000 120.336 120.400 -0.106 0.000 2.780 320 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 320 K CA 0.000 56.249 56.287 -0.063 0.000 0.838 320 K CB 0.000 32.499 32.500 -0.001 0.000 1.064 320 K HN 0.000 nan 8.250 nan 0.000 0.543