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 3gn1_1_C DATA FIRST_RESID 2 DATA SEQUENCE EAPAAVVTGA AKRIGRAIAV KLHQTGYRVV IHYHNSAEAA VSLADELNKE DATA SEQUENCE RSNTAVVCQA DLTNSNVLPA SCEEIINSCF RAFGRCDVLV NNASAFYPTP DATA SEQUENCE LVXXXXXXXX XGKTVETQVA ELIGTNAIAP FLLTMSFAQR QXXXXXXXXX DATA SEQUENCE XNLSIVNLCD AMVDQPXMAF SLYNMGKHAL VGLTQSAALE LAPYGIRVNG DATA SEQUENCE VAPGVSLLPV AMGEEEKDKW RRKVPLGRRE ASAEQIADAV IFLVSGSAQY DATA SEQUENCE ITGSIIKVDG GLSLVHA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.538 176.600 -0.103 0.000 1.382 2 E CA 0.000 56.361 56.400 -0.064 0.000 0.976 2 E CB 0.000 29.673 29.700 -0.045 0.000 0.812 3 A N 1.860 124.604 122.820 -0.126 0.000 2.409 3 A HA 0.587 4.907 4.320 0.001 0.000 0.262 3 A C -2.082 175.369 177.584 -0.222 0.000 1.113 3 A CA -0.811 51.106 52.037 -0.201 0.000 0.790 3 A CB -0.263 18.608 19.000 -0.216 0.000 1.046 3 A HN 0.384 nan 8.150 nan 0.000 0.496 4 P HA 0.466 nan 4.420 nan 0.000 0.274 4 P C -0.593 176.615 177.300 -0.154 0.000 1.256 4 P CA -0.151 62.794 63.100 -0.259 0.000 0.795 4 P CB 1.143 32.589 31.700 -0.423 0.000 1.038 5 A N -0.029 122.830 122.820 0.065 0.000 2.422 5 A HA 0.732 5.052 4.320 0.001 0.000 0.302 5 A C -1.052 176.667 177.584 0.225 0.000 1.041 5 A CA -0.632 51.463 52.037 0.096 0.000 0.708 5 A CB 1.461 20.485 19.000 0.038 0.000 1.257 5 A HN 0.597 nan 8.150 nan 0.000 0.414 6 A N 1.209 124.129 122.820 0.167 0.000 2.386 6 A HA 0.729 5.049 4.320 0.001 0.000 0.311 6 A C -0.928 176.708 177.584 0.086 0.000 1.068 6 A CA -0.499 51.569 52.037 0.051 0.000 0.743 6 A CB 1.410 20.298 19.000 -0.187 0.000 1.258 6 A HN 1.212 nan 8.150 nan 0.000 0.429 7 V N 2.292 122.247 119.914 0.068 0.000 2.394 7 V HA 0.429 4.549 4.120 0.001 0.000 0.282 7 V C -0.424 175.685 176.094 0.025 0.000 1.031 7 V CA -0.333 62.014 62.300 0.078 0.000 0.881 7 V CB 1.387 33.264 31.823 0.090 0.000 0.982 7 V HN 0.618 nan 8.190 nan 0.000 0.451 8 V N 4.428 124.377 119.914 0.058 0.000 2.350 8 V HA 0.389 4.510 4.120 0.001 0.000 0.285 8 V C 0.475 176.639 176.094 0.116 0.000 1.014 8 V CA -0.597 61.732 62.300 0.048 0.000 0.831 8 V CB 1.730 33.574 31.823 0.035 0.000 1.000 8 V HN 0.993 nan 8.190 nan 0.000 0.433 9 T N 0.927 115.534 114.554 0.089 0.000 2.899 9 T HA 0.504 4.854 4.350 0.001 0.000 0.295 9 T C 1.105 175.968 174.700 0.272 0.000 1.033 9 T CA 0.367 62.582 62.100 0.192 0.000 1.084 9 T CB 1.309 70.150 68.868 -0.044 0.000 0.979 9 T HN 1.913 nan 8.240 nan 0.000 0.532 10 G N 1.057 110.148 108.800 0.485 0.000 2.366 10 G HA2 -0.046 3.914 3.960 0.001 0.000 0.299 10 G HA3 -0.046 3.914 3.960 0.001 0.000 0.299 10 G C 0.696 175.677 174.900 0.134 0.000 1.020 10 G CA 0.086 45.324 45.100 0.231 0.000 1.026 10 G HN 1.555 nan 8.290 nan 0.000 0.512 11 A N -0.962 121.936 122.820 0.129 0.000 2.275 11 A HA 0.695 5.016 4.320 0.001 0.000 0.212 11 A C 2.343 179.959 177.584 0.053 0.000 1.201 11 A CA 1.280 53.368 52.037 0.085 0.000 0.843 11 A CB -0.069 18.988 19.000 0.094 0.000 0.873 11 A HN 1.674 nan 8.150 nan 0.000 0.492 12 A N -0.066 122.784 122.820 0.050 0.000 2.016 12 A HA 0.167 4.487 4.320 0.001 0.000 0.217 12 A C 1.038 178.622 177.584 0.000 0.000 1.162 12 A CA 0.917 52.959 52.037 0.008 0.000 0.662 12 A CB 0.074 19.067 19.000 -0.012 0.000 0.812 12 A HN 0.451 nan 8.150 nan 0.000 0.450 13 K N -2.391 118.019 120.400 0.016 0.000 2.480 13 K HA 0.610 4.930 4.320 0.001 0.000 0.258 13 K C -0.010 176.596 176.600 0.011 0.000 0.990 13 K CA -1.028 55.264 56.287 0.009 0.000 0.857 13 K CB 1.976 34.483 32.500 0.012 0.000 1.384 13 K HN 0.227 nan 8.250 nan 0.000 0.446 14 R N -0.330 120.171 120.500 0.003 0.000 3.923 14 R HA -0.312 4.028 4.340 0.001 0.000 0.400 14 R C 1.500 177.796 176.300 -0.005 0.000 0.241 14 R CA 1.656 57.754 56.100 -0.003 0.000 1.284 14 R CB -1.553 28.746 30.300 -0.003 0.000 1.006 14 R HN 0.638 nan 8.270 nan 0.000 0.559 15 I N 0.445 121.009 120.570 -0.010 0.000 2.286 15 I HA -0.145 4.025 4.170 0.001 0.000 0.245 15 I C 2.525 178.640 176.117 -0.004 0.000 1.104 15 I CA 1.681 62.972 61.300 -0.014 0.000 1.397 15 I CB -0.591 37.392 38.000 -0.028 0.000 1.072 15 I HN 0.746 nan 8.210 nan 0.000 0.417 16 G N 0.679 109.484 108.800 0.008 0.000 2.446 16 G HA2 -0.296 3.664 3.960 0.001 0.000 0.217 16 G HA3 -0.296 3.664 3.960 0.001 0.000 0.217 16 G C 1.784 176.696 174.900 0.019 0.000 1.168 16 G CA 0.752 45.865 45.100 0.021 0.000 0.771 16 G HN 0.264 nan 8.290 nan 0.000 0.551 17 R N 0.486 120.995 120.500 0.015 0.000 2.070 17 R HA -0.019 4.321 4.340 0.001 0.000 0.233 17 R C 2.951 179.254 176.300 0.004 0.000 1.137 17 R CA 1.544 57.649 56.100 0.008 0.000 0.945 17 R CB -0.469 29.832 30.300 0.001 0.000 0.845 17 R HN 0.287 nan 8.270 nan 0.000 0.430 18 A N 1.123 123.944 122.820 0.001 0.000 1.917 18 A HA -0.190 4.130 4.320 0.001 0.000 0.219 18 A C 2.174 179.759 177.584 0.002 0.000 1.182 18 A CA 1.683 53.721 52.037 0.001 0.000 0.633 18 A CB -0.601 18.397 19.000 -0.003 0.000 0.819 18 A HN 0.394 nan 8.150 nan 0.000 0.448 19 I N -0.410 120.157 120.570 -0.004 0.000 2.179 19 I HA -0.297 3.873 4.170 0.001 0.000 0.242 19 I C 3.003 179.113 176.117 -0.013 0.000 1.088 19 I CA 1.134 62.425 61.300 -0.015 0.000 1.357 19 I CB -0.419 37.566 38.000 -0.025 0.000 1.051 19 I HN 0.371 nan 8.210 nan 0.000 0.409 20 A N 0.402 123.223 122.820 0.002 0.000 1.877 20 A HA -0.155 4.166 4.320 0.001 0.000 0.216 20 A C 2.451 180.062 177.584 0.045 0.000 1.186 20 A CA 1.797 53.845 52.037 0.019 0.000 0.620 20 A CB -0.994 18.022 19.000 0.027 0.000 0.822 20 A HN 0.236 nan 8.150 nan 0.000 0.443 21 V N -0.040 119.893 119.914 0.032 0.000 2.261 21 V HA -0.285 3.836 4.120 0.001 0.000 0.246 21 V C 2.542 178.687 176.094 0.085 0.000 1.047 21 V CA 2.482 64.811 62.300 0.049 0.000 1.015 21 V CB -0.642 31.194 31.823 0.021 0.000 0.642 21 V HN 0.618 nan 8.190 nan 0.000 0.446 22 K N -0.474 119.957 120.400 0.052 0.000 2.063 22 K HA -0.160 4.161 4.320 0.001 0.000 0.208 22 K C 2.117 178.757 176.600 0.066 0.000 1.048 22 K CA 1.481 57.799 56.287 0.051 0.000 0.928 22 K CB -0.263 32.254 32.500 0.028 0.000 0.713 22 K HN 0.349 nan 8.250 nan 0.000 0.442 23 L N -0.030 121.214 121.223 0.035 0.000 2.012 23 L HA -0.278 4.063 4.340 0.001 0.000 0.210 23 L C 2.731 179.716 176.870 0.191 0.000 1.073 23 L CA 1.566 56.424 54.840 0.029 0.000 0.748 23 L CB -0.720 41.233 42.059 -0.177 0.000 0.891 23 L HN 0.443 nan 8.230 nan 0.000 0.431 24 H N 0.338 119.449 119.070 0.069 0.000 2.319 24 H HA -0.204 4.352 4.556 0.000 0.000 0.299 24 H C 2.239 177.598 175.328 0.051 0.000 1.092 24 H CA 2.091 58.175 56.048 0.060 0.000 1.302 24 H CB 0.148 29.925 29.762 0.026 0.000 1.373 24 H HN 0.443 nan 8.280 nan 0.000 0.497 25 Q N -0.531 119.343 119.800 0.125 0.000 2.181 25 Q HA -0.100 4.240 4.340 0.001 0.000 0.205 25 Q C 2.111 178.121 176.000 0.018 0.000 0.980 25 Q CA 1.990 57.829 55.803 0.061 0.000 0.862 25 Q CB 0.098 28.883 28.738 0.077 0.000 0.905 25 Q HN 0.431 nan 8.270 nan 0.000 0.429 26 T N -1.428 113.162 114.554 0.061 0.000 3.035 26 T HA 0.042 4.392 4.350 0.001 0.000 0.268 26 T C 1.170 175.863 174.700 -0.012 0.000 1.109 26 T CA 1.014 63.154 62.100 0.067 0.000 1.119 26 T CB 0.196 69.166 68.868 0.170 0.000 0.900 26 T HN 0.603 nan 8.240 nan 0.000 0.503 27 G N -0.255 108.501 108.800 -0.073 0.000 2.227 27 G HA2 -0.153 3.807 3.960 0.001 0.000 0.168 27 G HA3 -0.153 3.807 3.960 0.001 0.000 0.168 27 G C -0.116 174.610 174.900 -0.291 0.000 1.006 27 G CA -0.816 44.158 45.100 -0.211 0.000 0.684 27 G HN 0.460 nan 8.290 nan 0.000 0.489 28 Y N 1.618 121.806 120.300 -0.187 0.000 2.397 28 Y HA 0.566 5.117 4.550 0.001 0.000 0.335 28 Y C 1.477 177.223 175.900 -0.256 0.000 1.213 28 Y CA -0.031 57.958 58.100 -0.184 0.000 1.391 28 Y CB 0.525 38.923 38.460 -0.103 0.000 1.293 28 Y HN 0.079 nan 8.280 nan 0.000 0.557 29 R N 1.815 122.182 120.500 -0.222 0.000 2.410 29 R HA 0.551 4.891 4.340 0.001 0.000 0.288 29 R C -1.071 175.041 176.300 -0.313 0.000 1.051 29 R CA -0.806 54.993 56.100 -0.502 0.000 1.021 29 R CB 0.887 30.398 30.300 -1.315 0.000 1.032 29 R HN 0.517 nan 8.270 nan 0.000 0.481 30 V N -0.540 119.333 119.914 -0.068 0.000 2.656 30 V HA 0.514 4.634 4.120 0.001 0.000 0.307 30 V C -0.273 176.032 176.094 0.352 0.000 1.051 30 V CA -1.020 61.374 62.300 0.157 0.000 0.893 30 V CB 2.023 33.928 31.823 0.137 0.000 0.999 30 V HN 0.388 nan 8.190 nan 0.000 0.426 31 V N 5.667 125.773 119.914 0.321 0.000 2.364 31 V HA 0.425 4.545 4.120 0.001 0.000 0.272 31 V C 0.146 176.359 176.094 0.198 0.000 1.036 31 V CA -0.172 62.288 62.300 0.268 0.000 0.880 31 V CB 1.120 33.076 31.823 0.222 0.000 0.991 31 V HN 0.794 nan 8.190 nan 0.000 0.460 32 I N 6.022 126.706 120.570 0.190 0.000 2.269 32 I HA 0.227 4.397 4.170 0.001 0.000 0.293 32 I C 0.624 176.885 176.117 0.238 0.000 1.106 32 I CA -0.066 61.340 61.300 0.176 0.000 1.248 32 I CB 0.034 38.111 38.000 0.129 0.000 1.444 32 I HN 0.666 nan 8.210 nan 0.000 0.497 33 H N 8.044 127.200 119.070 0.144 0.000 2.562 33 H HA 0.330 4.886 4.556 0.001 0.000 0.352 33 H C -1.462 173.985 175.328 0.199 0.000 1.125 33 H CA -0.165 55.950 56.048 0.111 0.000 1.379 33 H CB 1.215 31.000 29.762 0.040 0.000 1.464 33 H HN 0.566 nan 8.280 nan 0.000 0.563 34 Y N 1.498 121.251 120.300 -0.913 0.000 2.609 34 Y HA 0.255 4.805 4.550 0.001 0.000 0.336 34 Y C 0.008 175.609 175.900 -0.497 0.000 1.129 34 Y CA -0.934 56.805 58.100 -0.601 0.000 1.040 34 Y CB 1.096 39.429 38.460 -0.212 0.000 1.310 34 Y HN 0.724 nan 8.280 nan 0.000 0.460 35 H N 0.423 119.360 119.070 -0.221 0.000 2.329 35 H HA 0.252 4.809 4.556 0.001 0.000 0.285 35 H C 0.140 175.513 175.328 0.075 0.000 1.062 35 H CA 0.415 56.408 56.048 -0.092 0.000 1.511 35 H CB 0.617 30.395 29.762 0.028 0.000 1.471 35 H HN 0.730 nan 8.280 nan 0.000 0.613 36 N N 0.404 119.063 118.700 -0.069 0.000 2.388 36 N HA 0.025 4.765 4.740 0.001 0.000 0.176 36 N C 0.105 175.632 175.510 0.029 0.000 1.062 36 N CA 0.289 53.266 53.050 -0.121 0.000 0.895 36 N CB 0.708 39.086 38.487 -0.182 0.000 1.018 36 N HN 0.049 nan 8.380 nan 0.000 0.456 37 S N 1.065 116.820 115.700 0.092 0.000 3.266 37 S HA 0.348 4.819 4.470 0.001 0.000 0.209 37 S C 1.333 175.811 174.600 -0.203 0.000 1.409 37 S CA -0.389 57.801 58.200 -0.016 0.000 1.179 37 S CB 0.386 63.583 63.200 -0.005 0.000 1.218 37 S HN 0.308 nan 8.310 nan 0.000 0.514 38 A N 1.695 124.360 122.820 -0.259 0.000 1.902 38 A HA -0.151 4.170 4.320 0.001 0.000 0.217 38 A C 2.057 179.386 177.584 -0.426 0.000 1.181 38 A CA 1.468 53.121 52.037 -0.640 0.000 0.623 38 A CB -0.370 18.489 19.000 -0.235 0.000 0.818 38 A HN 0.641 nan 8.150 nan 0.000 0.443 39 E N -0.069 119.999 120.200 -0.221 0.000 2.051 39 E HA -0.147 4.203 4.350 0.001 0.000 0.192 39 E C 2.130 178.638 176.600 -0.154 0.000 0.991 39 E CA 1.158 57.467 56.400 -0.152 0.000 0.799 39 E CB -0.284 29.360 29.700 -0.092 0.000 0.748 39 E HN 0.515 nan 8.360 nan 0.000 0.449 40 A N 1.084 123.815 122.820 -0.147 0.000 1.933 40 A HA -0.087 4.233 4.320 0.001 0.000 0.218 40 A C 2.357 179.855 177.584 -0.144 0.000 1.175 40 A CA 1.803 53.770 52.037 -0.117 0.000 0.628 40 A CB -0.697 18.254 19.000 -0.080 0.000 0.814 40 A HN 0.434 nan 8.150 nan 0.000 0.444 41 A N -0.508 122.164 122.820 -0.247 0.000 1.873 41 A HA 0.022 4.342 4.320 0.001 0.000 0.215 41 A C 2.200 179.674 177.584 -0.184 0.000 1.186 41 A CA 1.732 53.624 52.037 -0.242 0.000 0.616 41 A CB -0.966 17.733 19.000 -0.501 0.000 0.823 41 A HN 0.416 nan 8.150 nan 0.000 0.442 42 V N -0.261 119.513 119.914 -0.233 0.000 2.407 42 V HA -0.208 3.912 4.120 0.001 0.000 0.248 42 V C 2.763 178.803 176.094 -0.091 0.000 1.055 42 V CA 2.238 64.456 62.300 -0.137 0.000 1.049 42 V CB -0.866 30.875 31.823 -0.136 0.000 0.662 42 V HN 0.643 nan 8.190 nan 0.000 0.455 43 S N -0.053 115.589 115.700 -0.096 0.000 2.368 43 S HA -0.192 4.278 4.470 0.001 0.000 0.225 43 S C 1.938 176.501 174.600 -0.062 0.000 1.030 43 S CA 1.952 60.110 58.200 -0.069 0.000 0.999 43 S CB -0.328 62.832 63.200 -0.066 0.000 0.844 43 S HN 0.458 nan 8.310 nan 0.000 0.459 44 L N 1.937 123.120 121.223 -0.067 0.000 2.017 44 L HA 0.119 4.460 4.340 0.001 0.000 0.208 44 L C 2.483 179.310 176.870 -0.072 0.000 1.073 44 L CA 2.262 57.065 54.840 -0.063 0.000 0.745 44 L CB -1.363 40.666 42.059 -0.051 0.000 0.894 44 L HN 0.295 nan 8.230 nan 0.000 0.432 45 A N -0.728 122.059 122.820 -0.055 0.000 1.908 45 A HA -0.244 4.076 4.320 0.001 0.000 0.218 45 A C 2.026 179.583 177.584 -0.045 0.000 1.181 45 A CA 1.967 53.981 52.037 -0.039 0.000 0.627 45 A CB -0.962 18.037 19.000 -0.002 0.000 0.818 45 A HN 0.561 nan 8.150 nan 0.000 0.445 46 D N -0.730 119.645 120.400 -0.041 0.000 2.104 46 D HA -0.170 4.470 4.640 0.001 0.000 0.194 46 D C 1.938 178.215 176.300 -0.038 0.000 0.994 46 D CA 1.539 55.521 54.000 -0.031 0.000 0.830 46 D CB -0.333 40.450 40.800 -0.029 0.000 0.959 46 D HN 0.743 nan 8.370 nan 0.000 0.452 47 E N 0.318 120.486 120.200 -0.054 0.000 2.047 47 E HA -0.134 4.216 4.350 0.001 0.000 0.191 47 E C 2.332 178.877 176.600 -0.091 0.000 0.987 47 E CA 0.540 56.906 56.400 -0.057 0.000 0.799 47 E CB -0.075 29.591 29.700 -0.057 0.000 0.752 47 E HN 0.223 nan 8.360 nan 0.000 0.449 48 L N 0.943 122.058 121.223 -0.179 0.000 2.046 48 L HA -0.171 4.169 4.340 0.001 0.000 0.208 48 L C 2.315 179.084 176.870 -0.169 0.000 1.077 48 L CA 0.928 55.529 54.840 -0.397 0.000 0.747 48 L CB -0.587 41.045 42.059 -0.711 0.000 0.896 48 L HN 0.188 nan 8.230 nan 0.000 0.432 49 N N 0.377 119.042 118.700 -0.060 0.000 2.331 49 N HA -0.160 4.580 4.740 0.001 0.000 0.180 49 N C 1.768 177.300 175.510 0.037 0.000 1.019 49 N CA 0.876 53.944 53.050 0.030 0.000 0.881 49 N CB -0.019 38.491 38.487 0.039 0.000 0.972 49 N HN 0.305 nan 8.380 nan 0.000 0.435 50 K N 1.403 121.811 120.400 0.013 0.000 2.063 50 K HA -0.175 4.145 4.320 0.001 0.000 0.208 50 K C 1.848 178.469 176.600 0.035 0.000 1.048 50 K CA 1.315 57.613 56.287 0.018 0.000 0.928 50 K CB 0.052 32.554 32.500 0.004 0.000 0.713 50 K HN -0.072 nan 8.250 nan 0.000 0.442 51 E N 0.251 120.482 120.200 0.051 0.000 2.028 51 E HA -0.051 4.300 4.350 0.001 0.000 0.191 51 E C -0.227 176.434 176.600 0.102 0.000 0.988 51 E CA 1.320 57.774 56.400 0.089 0.000 0.799 51 E CB 0.304 30.093 29.700 0.148 0.000 0.755 51 E HN 0.173 nan 8.360 nan 0.000 0.447 52 R N -0.202 120.385 120.500 0.144 0.000 2.514 52 R HA 0.392 4.732 4.340 0.001 0.000 0.296 52 R C -1.047 175.316 176.300 0.105 0.000 1.012 52 R CA -0.464 55.697 56.100 0.101 0.000 0.897 52 R CB 2.126 32.466 30.300 0.067 0.000 1.184 52 R HN -0.062 nan 8.270 nan 0.000 0.440 53 S N 2.246 117.988 115.700 0.071 0.000 2.546 53 S HA -0.020 4.450 4.470 0.001 0.000 0.290 53 S C 0.314 174.972 174.600 0.096 0.000 1.290 53 S CA -0.038 58.206 58.200 0.072 0.000 1.069 53 S CB 0.015 63.246 63.200 0.052 0.000 0.846 53 S HN 0.778 nan 8.310 nan 0.000 0.495 54 N N 0.154 118.924 118.700 0.116 0.000 2.725 54 N HA -0.167 4.574 4.740 0.001 0.000 0.251 54 N C 0.414 176.073 175.510 0.248 0.000 1.031 54 N CA 0.986 54.138 53.050 0.170 0.000 0.720 54 N CB -1.495 37.078 38.487 0.142 0.000 0.930 54 N HN 0.815 nan 8.380 nan 0.000 0.543 55 T N -4.290 110.394 114.554 0.217 0.000 3.132 55 T HA 0.653 5.003 4.350 0.001 0.000 0.274 55 T C 0.167 174.984 174.700 0.195 0.000 1.011 55 T CA 0.182 62.365 62.100 0.139 0.000 0.899 55 T CB 0.771 69.730 68.868 0.152 0.000 1.089 55 T HN 0.501 nan 8.240 nan 0.000 0.543 56 A N 1.139 124.150 122.820 0.319 0.000 2.488 56 A HA 0.743 5.063 4.320 0.001 0.000 0.295 56 A C -0.681 177.076 177.584 0.287 0.000 1.045 56 A CA -0.699 51.515 52.037 0.294 0.000 0.703 56 A CB 1.554 20.602 19.000 0.079 0.000 1.271 56 A HN 1.003 nan 8.150 nan 0.000 0.400 57 V N 0.391 120.484 119.914 0.299 0.000 3.040 57 V HA 0.952 5.072 4.120 0.001 0.000 0.312 57 V C 0.050 176.235 176.094 0.151 0.000 1.115 57 V CA -0.492 61.899 62.300 0.152 0.000 0.998 57 V CB 1.265 33.101 31.823 0.022 0.000 1.042 57 V HN 1.784 nan 8.190 nan 0.000 0.433 58 V N -0.333 119.665 119.914 0.140 0.000 2.834 58 V HA 0.877 4.997 4.120 0.001 0.000 0.313 58 V C -0.128 176.102 176.094 0.227 0.000 1.060 58 V CA -0.439 61.997 62.300 0.226 0.000 0.989 58 V CB 1.250 33.222 31.823 0.249 0.000 1.041 58 V HN 1.501 nan 8.190 nan 0.000 0.459 59 C N 4.016 123.455 119.300 0.233 0.000 2.599 59 C HA 0.462 4.922 4.460 0.001 0.000 0.354 59 C C -0.562 174.275 174.990 -0.254 0.000 1.092 59 C CA -0.290 58.764 59.018 0.061 0.000 1.280 59 C CB 1.082 28.884 27.740 0.103 0.000 1.829 59 C HN 1.091 nan 8.230 nan 0.000 0.454 60 Q N 3.050 122.601 119.800 -0.415 0.000 2.261 60 Q HA 0.718 5.058 4.340 0.001 0.000 0.252 60 Q C -0.522 175.368 176.000 -0.182 0.000 0.915 60 Q CA 0.233 55.628 55.803 -0.680 0.000 0.915 60 Q CB 1.770 30.204 28.738 -0.507 0.000 1.204 60 Q HN 1.036 nan 8.270 nan 0.000 0.421 61 A N 3.584 126.376 122.820 -0.047 0.000 2.555 61 A HA 0.276 4.596 4.320 0.001 0.000 0.297 61 A C -1.479 176.173 177.584 0.113 0.000 1.060 61 A CA -0.794 51.294 52.037 0.084 0.000 0.710 61 A CB 1.270 20.311 19.000 0.068 0.000 1.282 61 A HN 0.664 nan 8.150 nan 0.000 0.399 62 D N 1.598 121.988 120.400 -0.017 0.000 2.348 62 D HA 0.404 5.044 4.640 0.001 0.000 0.253 62 D C 0.441 176.642 176.300 -0.165 0.000 1.161 62 D CA 0.012 53.837 54.000 -0.292 0.000 0.876 62 D CB 0.809 41.505 40.800 -0.174 0.000 1.160 62 D HN 0.396 nan 8.370 nan 0.000 0.459 63 L N 2.709 123.821 121.223 -0.185 0.000 2.700 63 L HA 0.137 4.477 4.340 0.001 0.000 0.234 63 L C 0.803 177.634 176.870 -0.066 0.000 1.156 63 L CA -0.165 54.614 54.840 -0.102 0.000 0.946 63 L CB 0.044 42.046 42.059 -0.095 0.000 1.216 63 L HN 0.271 nan 8.230 nan 0.000 0.493 64 T N 0.955 115.460 114.554 -0.082 0.000 2.934 64 T HA -0.059 4.291 4.350 0.001 0.000 0.306 64 T C 0.470 175.164 174.700 -0.010 0.000 1.042 64 T CA 0.105 62.190 62.100 -0.025 0.000 1.145 64 T CB 0.316 69.174 68.868 -0.015 0.000 0.982 64 T HN 0.127 nan 8.240 nan 0.000 0.544 65 N N 1.912 120.616 118.700 0.007 0.000 2.454 65 N HA 0.278 5.018 4.740 0.001 0.000 0.254 65 N C -0.291 175.226 175.510 0.011 0.000 1.228 65 N CA 0.239 53.296 53.050 0.011 0.000 0.900 65 N CB 0.349 38.844 38.487 0.014 0.000 1.089 65 N HN 0.812 nan 8.380 nan 0.000 0.449 66 S N 1.475 117.182 115.700 0.012 0.000 2.655 66 S HA 0.209 4.680 4.470 0.001 0.000 0.266 66 S C 0.632 175.240 174.600 0.014 0.000 1.149 66 S CA -0.689 57.518 58.200 0.013 0.000 0.818 66 S CB 0.164 63.370 63.200 0.011 0.000 1.130 66 S HN 0.581 nan 8.310 nan 0.000 0.476 67 N N 0.858 119.566 118.700 0.013 0.000 2.272 67 N HA -0.147 4.594 4.740 0.001 0.000 0.185 67 N C 1.662 177.178 175.510 0.011 0.000 1.014 67 N CA 2.043 55.100 53.050 0.012 0.000 0.870 67 N CB -1.025 37.468 38.487 0.010 0.000 0.975 67 N HN 1.197 nan 8.380 nan 0.000 0.433 68 V N -2.944 116.976 119.914 0.009 0.000 3.650 68 V HA 0.193 4.313 4.120 0.001 0.000 0.271 68 V C 2.163 178.258 176.094 0.002 0.000 1.281 68 V CA -0.029 62.275 62.300 0.006 0.000 1.120 68 V CB -0.710 31.116 31.823 0.006 0.000 0.856 68 V HN 0.066 nan 8.190 nan 0.000 0.443 69 L N 1.691 122.917 121.223 0.004 0.000 2.013 69 L HA 0.024 4.364 4.340 0.001 0.000 0.212 69 L C -0.005 176.864 176.870 -0.002 0.000 1.073 69 L CA 2.671 57.511 54.840 -0.000 0.000 0.753 69 L CB -1.649 40.414 42.059 0.007 0.000 0.890 69 L HN 0.282 nan 8.230 nan 0.000 0.432 70 P HA -0.168 nan 4.420 nan 0.000 0.215 70 P C 1.601 178.892 177.300 -0.015 0.000 1.153 70 P CA 2.101 65.200 63.100 -0.001 0.000 0.853 70 P CB -0.231 31.475 31.700 0.010 0.000 0.788 71 A N -0.540 122.274 122.820 -0.010 0.000 1.883 71 A HA -0.205 4.115 4.320 0.001 0.000 0.217 71 A C 2.357 179.933 177.584 -0.014 0.000 1.186 71 A CA 2.360 54.390 52.037 -0.013 0.000 0.624 71 A CB -1.623 17.372 19.000 -0.008 0.000 0.822 71 A HN 0.141 nan 8.150 nan 0.000 0.444 72 S N -0.790 114.902 115.700 -0.014 0.000 2.370 72 S HA -0.219 4.252 4.470 0.001 0.000 0.226 72 S C 1.939 176.522 174.600 -0.028 0.000 1.033 72 S CA 1.530 59.719 58.200 -0.018 0.000 1.011 72 S CB -0.757 62.430 63.200 -0.022 0.000 0.852 72 S HN 0.730 nan 8.310 nan 0.000 0.457 73 C N 1.285 120.564 119.300 -0.036 0.000 2.446 73 C HA 0.007 4.467 4.460 0.001 0.000 0.277 73 C C 2.672 177.647 174.990 -0.024 0.000 1.275 73 C CA 0.354 59.346 59.018 -0.044 0.000 1.727 73 C CB -1.163 26.547 27.740 -0.051 0.000 2.010 73 C HN 0.666 nan 8.230 nan 0.000 0.486 74 E N 0.980 121.166 120.200 -0.024 0.000 2.118 74 E HA -0.275 4.076 4.350 0.001 0.000 0.195 74 E C 2.035 178.635 176.600 0.000 0.000 0.992 74 E CA 1.518 57.906 56.400 -0.019 0.000 0.804 74 E CB -0.059 29.622 29.700 -0.031 0.000 0.741 74 E HN 0.586 nan 8.360 nan 0.000 0.458 75 E N 0.507 120.706 120.200 -0.000 0.000 2.158 75 E HA -0.102 4.248 4.350 0.001 0.000 0.191 75 E C 1.805 178.422 176.600 0.027 0.000 0.982 75 E CA 0.817 57.223 56.400 0.010 0.000 0.823 75 E CB -0.191 29.512 29.700 0.003 0.000 0.766 75 E HN 0.372 nan 8.360 nan 0.000 0.468 76 I N 0.370 120.953 120.570 0.021 0.000 2.179 76 I HA -0.251 3.919 4.170 0.001 0.000 0.242 76 I C 1.857 178.022 176.117 0.080 0.000 1.088 76 I CA 0.637 61.959 61.300 0.037 0.000 1.357 76 I CB -0.259 37.735 38.000 -0.010 0.000 1.051 76 I HN 0.186 nan 8.210 nan 0.000 0.409 77 I N 0.765 121.394 120.570 0.098 0.000 2.179 77 I HA -0.256 3.914 4.170 0.001 0.000 0.242 77 I C 2.221 178.492 176.117 0.257 0.000 1.088 77 I CA 1.543 62.957 61.300 0.189 0.000 1.357 77 I CB -1.685 36.425 38.000 0.184 0.000 1.051 77 I HN 0.295 nan 8.210 nan 0.000 0.409 78 N N 1.129 119.923 118.700 0.156 0.000 2.149 78 N HA -0.170 4.570 4.740 0.001 0.000 0.188 78 N C 2.063 177.652 175.510 0.132 0.000 1.019 78 N CA 1.811 54.942 53.050 0.136 0.000 0.857 78 N CB -0.403 38.108 38.487 0.039 0.000 0.997 78 N HN 0.476 nan 8.380 nan 0.000 0.426 79 S N -0.818 114.931 115.700 0.081 0.000 2.423 79 S HA -0.103 4.367 4.470 0.001 0.000 0.231 79 S C 2.425 177.013 174.600 -0.020 0.000 1.014 79 S CA 0.825 59.039 58.200 0.024 0.000 0.965 79 S CB -0.869 62.344 63.200 0.021 0.000 0.785 79 S HN 0.458 nan 8.310 nan 0.000 0.495 80 C N 0.630 119.960 119.300 0.049 0.000 2.453 80 C HA 0.142 4.603 4.460 0.001 0.000 0.277 80 C C 2.286 177.242 174.990 -0.056 0.000 1.262 80 C CA 0.589 59.618 59.018 0.018 0.000 1.718 80 C CB -1.773 26.010 27.740 0.073 0.000 2.031 80 C HN 0.630 nan 8.230 nan 0.000 0.480 81 F N 0.878 120.837 119.950 0.015 0.000 2.126 81 F HA -0.109 4.418 4.527 0.000 0.000 0.299 81 F C 2.634 178.411 175.800 -0.038 0.000 1.096 81 F CA 2.159 60.160 58.000 0.001 0.000 1.255 81 F CB -0.552 38.438 39.000 -0.016 0.000 0.997 81 F HN 0.168 nan 8.300 nan 0.000 0.479 82 R N 0.248 120.808 120.500 0.100 0.000 2.080 82 R HA -0.179 4.161 4.340 0.001 0.000 0.236 82 R C 2.349 178.576 176.300 -0.121 0.000 1.137 82 R CA 1.588 57.685 56.100 -0.005 0.000 0.943 82 R CB -0.607 29.680 30.300 -0.022 0.000 0.846 82 R HN 0.258 nan 8.270 nan 0.000 0.431 83 A N -0.828 121.800 122.820 -0.319 0.000 1.898 83 A HA -0.058 4.262 4.320 0.001 0.000 0.216 83 A C 1.611 178.883 177.584 -0.520 0.000 1.181 83 A CA 1.229 52.864 52.037 -0.669 0.000 0.620 83 A CB -0.232 17.914 19.000 -1.425 0.000 0.819 83 A HN 0.453 nan 8.150 nan 0.000 0.442 84 F N -2.774 117.178 119.950 0.002 0.000 2.831 84 F HA 0.394 4.921 4.527 0.000 0.000 0.334 84 F C 1.677 177.452 175.800 -0.041 0.000 1.071 84 F CA 0.307 58.293 58.000 -0.023 0.000 1.172 84 F CB 0.811 39.788 39.000 -0.039 0.000 1.054 84 F HN 0.369 nan 8.300 nan 0.000 0.572 85 G N 2.095 110.952 108.800 0.095 0.000 2.159 85 G HA2 -0.267 3.693 3.960 0.001 0.000 0.256 85 G HA3 -0.267 3.693 3.960 0.001 0.000 0.256 85 G C 0.116 175.041 174.900 0.043 0.000 0.977 85 G CA 0.229 45.393 45.100 0.107 0.000 0.652 85 G HN 0.529 nan 8.290 nan 0.000 0.531 86 R N -2.317 118.030 120.500 -0.256 0.000 2.728 86 R HA 0.662 5.003 4.340 0.001 0.000 0.274 86 R C -1.554 174.241 176.300 -0.842 0.000 1.032 86 R CA -0.438 55.337 56.100 -0.541 0.000 0.866 86 R CB 0.889 31.088 30.300 -0.169 0.000 1.263 86 R HN 0.737 nan 8.270 nan 0.000 0.475 87 C N 1.829 120.626 119.300 -0.837 0.000 2.679 87 C HA 0.384 4.844 4.460 0.001 0.000 0.354 87 C C -0.329 174.624 174.990 -0.062 0.000 1.067 87 C CA -0.329 58.452 59.018 -0.394 0.000 1.317 87 C CB 0.414 27.891 27.740 -0.439 0.000 1.843 87 C HN 1.036 nan 8.230 nan 0.000 0.459 88 D N 2.009 122.489 120.400 0.133 0.000 2.324 88 D HA 0.194 4.834 4.640 0.001 0.000 0.212 88 D C 0.052 176.603 176.300 0.418 0.000 0.984 88 D CA 0.766 54.913 54.000 0.246 0.000 0.885 88 D CB 0.523 41.446 40.800 0.205 0.000 0.996 88 D HN 0.368 nan 8.370 nan 0.000 0.505 89 V N 1.329 121.432 119.914 0.315 0.000 2.638 89 V HA 0.397 4.517 4.120 0.001 0.000 0.306 89 V C -1.397 174.655 176.094 -0.070 0.000 1.052 89 V CA -0.995 61.334 62.300 0.048 0.000 0.885 89 V CB 2.466 34.219 31.823 -0.116 0.000 0.999 89 V HN -0.020 nan 8.190 nan 0.000 0.424 90 L N 6.392 127.388 121.223 -0.378 0.000 2.333 90 L HA 0.797 5.137 4.340 0.001 0.000 0.280 90 L C -0.839 175.878 176.870 -0.255 0.000 1.004 90 L CA -0.075 54.568 54.840 -0.328 0.000 0.820 90 L CB 1.920 43.660 42.059 -0.531 0.000 1.247 90 L HN 0.419 nan 8.230 nan 0.000 0.416 91 V N 5.040 124.861 119.914 -0.156 0.000 2.334 91 V HA 0.452 4.572 4.120 0.001 0.000 0.281 91 V C -0.251 175.791 176.094 -0.087 0.000 1.016 91 V CA -0.673 61.555 62.300 -0.120 0.000 0.832 91 V CB 1.181 32.947 31.823 -0.095 0.000 0.999 91 V HN 0.731 nan 8.190 nan 0.000 0.439 92 N N 4.022 122.669 118.700 -0.088 0.000 2.602 92 N HA 0.147 4.887 4.740 0.001 0.000 0.238 92 N C 0.646 176.135 175.510 -0.035 0.000 1.084 92 N CA 0.087 53.098 53.050 -0.064 0.000 0.952 92 N CB 1.035 39.481 38.487 -0.069 0.000 1.244 92 N HN 0.810 nan 8.380 nan 0.000 0.512 93 N N 1.343 120.037 118.700 -0.009 0.000 2.516 93 N HA 0.076 4.817 4.740 0.001 0.000 0.197 93 N C 0.249 175.784 175.510 0.042 0.000 1.064 93 N CA -0.168 52.889 53.050 0.010 0.000 0.866 93 N CB 0.276 38.772 38.487 0.015 0.000 1.255 93 N HN 0.365 nan 8.380 nan 0.000 0.447 94 A N 0.238 123.100 122.820 0.069 0.000 2.561 94 A HA 0.395 4.715 4.320 0.001 0.000 0.234 94 A C 0.015 177.655 177.584 0.093 0.000 1.055 94 A CA 0.535 52.638 52.037 0.109 0.000 0.756 94 A CB -0.106 18.989 19.000 0.159 0.000 0.986 94 A HN 0.300 nan 8.150 nan 0.000 0.505 95 S N 0.491 116.266 115.700 0.124 0.000 2.590 95 S HA 0.542 5.012 4.470 0.001 0.000 0.286 95 S C -0.569 174.151 174.600 0.200 0.000 1.147 95 S CA 0.058 58.349 58.200 0.152 0.000 0.963 95 S CB 0.537 63.826 63.200 0.148 0.000 1.124 95 S HN 2.032 nan 8.310 nan 0.000 0.458 96 A N 3.725 126.673 122.820 0.213 0.000 2.327 96 A HA 0.837 5.157 4.320 0.001 0.000 0.283 96 A C -0.773 176.966 177.584 0.258 0.000 1.127 96 A CA -0.376 51.800 52.037 0.233 0.000 0.810 96 A CB 0.233 19.349 19.000 0.193 0.000 1.066 96 A HN 1.287 nan 8.150 nan 0.000 0.492 97 F N 3.542 123.506 119.950 0.022 0.000 2.915 97 F HA 0.573 5.100 4.527 -0.000 0.000 0.350 97 F C -1.414 174.425 175.800 0.065 0.000 1.248 97 F CA -0.478 57.440 58.000 -0.137 0.000 1.084 97 F CB 1.093 39.947 39.000 -0.243 0.000 1.391 97 F HN 0.783 nan 8.300 nan 0.000 0.548 98 Y N 3.947 123.964 120.300 -0.472 0.000 2.732 98 Y HA 0.687 5.237 4.550 0.001 0.000 0.342 98 Y C -3.296 172.008 175.900 -0.994 0.000 1.203 98 Y CA -2.772 54.976 58.100 -0.586 0.000 1.092 98 Y CB 0.373 38.660 38.460 -0.288 0.000 1.345 98 Y HN 0.218 nan 8.280 nan 0.000 0.458 99 P HA 0.341 nan 4.420 nan 0.000 0.276 99 P C -0.566 176.484 177.300 -0.416 0.000 1.244 99 P CA -0.268 62.076 63.100 -1.261 0.000 0.801 99 P CB 1.449 32.592 31.700 -0.929 0.000 1.006 100 T N -2.137 112.221 114.554 -0.326 0.000 3.198 100 T HA 0.405 4.756 4.350 0.001 0.000 0.352 100 T C -2.848 171.802 174.700 -0.082 0.000 1.197 100 T CA -2.089 59.940 62.100 -0.117 0.000 1.427 100 T CB -0.104 68.723 68.868 -0.069 0.000 0.983 100 T HN 0.095 nan 8.240 nan 0.000 0.560 101 P HA 0.225 nan 4.420 nan 0.000 0.266 101 P C 0.850 178.142 177.300 -0.014 0.000 1.195 101 P CA -0.453 62.628 63.100 -0.031 0.000 0.768 101 P CB 0.761 32.446 31.700 -0.025 0.000 0.838 102 L N 1.438 122.661 121.223 -0.000 0.000 2.313 102 L HA 0.017 4.357 4.340 0.001 0.000 0.214 102 L C 0.937 177.807 176.870 0.001 0.000 1.119 102 L CA 0.688 55.529 54.840 0.002 0.000 0.809 102 L CB -0.157 41.907 42.059 0.008 0.000 0.933 102 L HN 0.184 nan 8.230 nan 0.000 0.449 114 K N 1.668 122.034 120.400 -0.057 0.000 2.298 114 K HA 0.436 4.756 4.320 0.001 0.000 0.280 114 K C 1.222 177.815 176.600 -0.012 0.000 1.032 114 K CA -0.212 56.055 56.287 -0.034 0.000 0.958 114 K CB 1.046 33.519 32.500 -0.046 0.000 0.978 114 K HN 0.531 nan 8.250 nan 0.000 0.472 115 T N -1.286 113.269 114.554 0.002 0.000 2.856 115 T HA -0.033 4.317 4.350 0.001 0.000 0.306 115 T C 1.310 176.022 174.700 0.020 0.000 1.062 115 T CA -0.761 61.343 62.100 0.008 0.000 1.083 115 T CB 1.113 69.987 68.868 0.009 0.000 0.984 115 T HN 0.349 nan 8.240 nan 0.000 0.542 116 V N 0.956 120.881 119.914 0.017 0.000 2.407 116 V HA -0.126 3.995 4.120 0.001 0.000 0.248 116 V C 2.506 178.618 176.094 0.030 0.000 1.055 116 V CA 1.906 64.221 62.300 0.025 0.000 1.049 116 V CB -0.841 30.990 31.823 0.014 0.000 0.662 116 V HN 0.888 nan 8.190 nan 0.000 0.455 117 E N -0.030 120.183 120.200 0.022 0.000 2.150 117 E HA -0.143 4.207 4.350 0.001 0.000 0.193 117 E C 2.245 178.865 176.600 0.033 0.000 0.985 117 E CA 1.736 58.149 56.400 0.022 0.000 0.814 117 E CB -0.606 29.103 29.700 0.015 0.000 0.752 117 E HN 0.690 nan 8.360 nan 0.000 0.466 118 T N 1.682 116.259 114.554 0.040 0.000 2.708 118 T HA -0.170 4.180 4.350 0.001 0.000 0.266 118 T C 1.942 176.697 174.700 0.093 0.000 1.037 118 T CA 1.322 63.456 62.100 0.055 0.000 1.146 118 T CB -0.154 68.742 68.868 0.047 0.000 0.865 118 T HN 0.246 nan 8.240 nan 0.000 0.435 119 Q N 0.348 120.218 119.800 0.117 0.000 2.061 119 Q HA -0.086 4.255 4.340 0.001 0.000 0.204 119 Q C 2.589 178.645 176.000 0.094 0.000 0.984 119 Q CA 1.224 57.142 55.803 0.191 0.000 0.846 119 Q CB -0.566 28.299 28.738 0.212 0.000 0.902 119 Q HN 0.330 nan 8.270 nan 0.000 0.421 120 V N 1.262 121.208 119.914 0.053 0.000 2.252 120 V HA -0.352 3.768 4.120 0.001 0.000 0.249 120 V C 2.329 178.439 176.094 0.026 0.000 1.056 120 V CA 2.035 64.350 62.300 0.025 0.000 1.022 120 V CB -1.125 30.707 31.823 0.015 0.000 0.641 120 V HN 0.459 nan 8.190 nan 0.000 0.445 121 A N -0.590 122.253 122.820 0.037 0.000 1.908 121 A HA -0.256 4.065 4.320 0.001 0.000 0.218 121 A C 2.183 179.793 177.584 0.043 0.000 1.181 121 A CA 2.066 54.123 52.037 0.034 0.000 0.627 121 A CB -0.451 18.570 19.000 0.035 0.000 0.818 121 A HN 0.672 nan 8.150 nan 0.000 0.445 122 E N -0.383 119.862 120.200 0.074 0.000 2.028 122 E HA -0.064 4.286 4.350 0.001 0.000 0.190 122 E C 2.041 178.679 176.600 0.064 0.000 0.984 122 E CA 1.084 57.542 56.400 0.096 0.000 0.800 122 E CB -0.249 29.570 29.700 0.199 0.000 0.758 122 E HN 0.599 nan 8.360 nan 0.000 0.448 123 L N 0.775 122.011 121.223 0.021 0.000 2.044 123 L HA -0.127 4.214 4.340 0.001 0.000 0.205 123 L C 2.353 179.227 176.870 0.006 0.000 1.075 123 L CA 0.493 55.321 54.840 -0.020 0.000 0.747 123 L CB -0.217 41.773 42.059 -0.115 0.000 0.903 123 L HN 0.172 nan 8.230 nan 0.000 0.435 124 I N 0.037 120.606 120.570 -0.001 0.000 2.353 124 I HA -0.083 4.087 4.170 0.001 0.000 0.248 124 I C 2.616 178.733 176.117 0.000 0.000 1.119 124 I CA 1.369 62.664 61.300 -0.009 0.000 1.417 124 I CB -1.993 35.997 38.000 -0.017 0.000 1.078 124 I HN 0.198 nan 8.210 nan 0.000 0.421 125 G N 1.476 110.282 108.800 0.011 0.000 2.453 125 G HA2 -0.286 3.674 3.960 0.001 0.000 0.215 125 G HA3 -0.286 3.674 3.960 0.001 0.000 0.215 125 G C 1.741 176.650 174.900 0.015 0.000 1.201 125 G CA 1.966 47.075 45.100 0.014 0.000 0.784 125 G HN 0.455 nan 8.290 nan 0.000 0.545 126 T N -0.743 113.826 114.554 0.024 0.000 2.746 126 T HA -0.104 4.246 4.350 0.001 0.000 0.267 126 T C 2.045 176.761 174.700 0.027 0.000 1.039 126 T CA 1.462 63.579 62.100 0.029 0.000 1.142 126 T CB -0.285 68.622 68.868 0.065 0.000 0.866 126 T HN 0.208 nan 8.240 nan 0.000 0.444 127 N N 1.157 119.873 118.700 0.026 0.000 2.446 127 N HA 0.287 5.027 4.740 0.001 0.000 0.179 127 N C 1.577 177.078 175.510 -0.015 0.000 1.054 127 N CA 1.047 54.099 53.050 0.003 0.000 0.905 127 N CB 0.272 38.744 38.487 -0.025 0.000 0.973 127 N HN 0.672 nan 8.380 nan 0.000 0.448 128 A N -0.179 122.640 122.820 -0.002 0.000 1.690 128 A HA 0.202 4.522 4.320 0.001 0.000 0.213 128 A C 1.621 179.234 177.584 0.049 0.000 1.785 128 A CA -0.141 51.899 52.037 0.005 0.000 1.230 128 A CB 0.079 19.065 19.000 -0.024 0.000 1.175 128 A HN -0.045 nan 8.150 nan 0.000 0.468 129 I N 1.334 121.930 120.570 0.042 0.000 2.202 129 I HA -0.130 4.040 4.170 0.001 0.000 0.242 129 I C 2.897 179.108 176.117 0.156 0.000 1.091 129 I CA 1.775 63.134 61.300 0.098 0.000 1.368 129 I CB -1.703 36.327 38.000 0.051 0.000 1.058 129 I HN 0.355 nan 8.210 nan 0.000 0.410 130 A N 1.704 124.565 122.820 0.067 0.000 1.877 130 A HA -0.117 4.203 4.320 0.001 0.000 0.216 130 A C 0.271 177.864 177.584 0.016 0.000 1.186 130 A CA 1.685 53.736 52.037 0.024 0.000 0.620 130 A CB -2.061 16.921 19.000 -0.030 0.000 0.822 130 A HN 0.270 nan 8.150 nan 0.000 0.443 131 P HA -0.207 nan 4.420 nan 0.000 0.216 131 P C 1.496 178.822 177.300 0.043 0.000 1.154 131 P CA 1.375 64.480 63.100 0.007 0.000 0.865 131 P CB -0.192 31.514 31.700 0.010 0.000 0.789 132 F N 0.188 120.115 119.950 -0.038 0.000 2.069 132 F HA -0.201 4.327 4.527 0.002 0.000 0.298 132 F C 1.943 177.732 175.800 -0.019 0.000 1.113 132 F CA 1.613 59.597 58.000 -0.026 0.000 1.214 132 F CB -1.036 37.951 39.000 -0.022 0.000 0.978 132 F HN -0.245 nan 8.300 nan 0.000 0.474 133 L N -0.188 120.928 121.223 -0.178 0.000 2.056 133 L HA -0.209 4.131 4.340 0.001 0.000 0.207 133 L C 2.512 179.269 176.870 -0.189 0.000 1.078 133 L CA 1.133 55.820 54.840 -0.255 0.000 0.749 133 L CB -0.759 41.273 42.059 -0.045 0.000 0.901 133 L HN 0.244 nan 8.230 nan 0.000 0.433 134 L N -0.944 120.213 121.223 -0.109 0.000 2.093 134 L HA -0.176 4.164 4.340 0.001 0.000 0.208 134 L C 2.616 179.463 176.870 -0.039 0.000 1.085 134 L CA 1.295 56.098 54.840 -0.062 0.000 0.755 134 L CB -0.790 41.230 42.059 -0.064 0.000 0.904 134 L HN 0.236 nan 8.230 nan 0.000 0.435 135 T N -0.393 114.102 114.554 -0.099 0.000 2.674 135 T HA -0.228 4.122 4.350 0.001 0.000 0.265 135 T C 1.957 176.618 174.700 -0.066 0.000 1.039 135 T CA 1.457 63.511 62.100 -0.077 0.000 1.150 135 T CB -0.186 68.624 68.868 -0.097 0.000 0.864 135 T HN 0.196 nan 8.240 nan 0.000 0.427 136 M N 1.060 120.518 119.600 -0.237 0.000 2.082 136 M HA -0.164 4.316 4.480 0.001 0.000 0.258 136 M C 2.681 178.904 176.300 -0.128 0.000 1.071 136 M CA 1.688 56.840 55.300 -0.247 0.000 1.103 136 M CB -0.541 31.807 32.600 -0.421 0.000 1.307 136 M HN 0.187 nan 8.290 nan 0.000 0.409 137 S N 0.108 115.754 115.700 -0.090 0.000 2.368 137 S HA -0.155 4.316 4.470 0.001 0.000 0.225 137 S C 1.573 176.187 174.600 0.024 0.000 1.030 137 S CA 1.291 59.466 58.200 -0.042 0.000 0.999 137 S CB -0.557 62.631 63.200 -0.020 0.000 0.844 137 S HN 0.427 nan 8.310 nan 0.000 0.459 138 F N 2.557 122.476 119.950 -0.052 0.000 2.069 138 F HA -0.168 4.359 4.527 0.001 0.000 0.298 138 F C 2.347 178.134 175.800 -0.022 0.000 1.113 138 F CA 1.313 59.318 58.000 0.008 0.000 1.214 138 F CB -0.664 38.330 39.000 -0.009 0.000 0.978 138 F HN 0.182 nan 8.300 nan 0.000 0.474 139 A N -0.424 122.433 122.820 0.062 0.000 1.898 139 A HA -0.211 4.109 4.320 0.001 0.000 0.216 139 A C 2.061 179.489 177.584 -0.260 0.000 1.181 139 A CA 1.561 53.518 52.037 -0.133 0.000 0.620 139 A CB -0.974 17.953 19.000 -0.123 0.000 0.819 139 A HN 0.517 nan 8.150 nan 0.000 0.442 140 Q N -0.036 119.644 119.800 -0.201 0.000 2.096 140 Q HA -0.126 4.214 4.340 0.001 0.000 0.204 140 Q C 1.837 177.702 176.000 -0.225 0.000 0.982 140 Q CA 1.579 57.261 55.803 -0.202 0.000 0.850 140 Q CB -0.178 28.465 28.738 -0.158 0.000 0.901 140 Q HN 0.490 nan 8.270 nan 0.000 0.422 141 R N 0.117 120.463 120.500 -0.257 0.000 2.313 141 R HA 0.086 4.426 4.340 0.001 0.000 0.199 141 R C 0.178 176.304 176.300 -0.291 0.000 0.958 141 R CA 0.173 56.046 56.100 -0.379 0.000 1.047 141 R CB 0.162 30.102 30.300 -0.600 0.000 0.955 141 R HN 0.375 nan 8.270 nan 0.000 0.481 154 L N 1.602 122.899 121.223 0.122 0.000 2.289 154 L HA 0.764 5.104 4.340 0.001 0.000 0.285 154 L C 0.333 177.305 176.870 0.170 0.000 1.049 154 L CA -0.542 54.424 54.840 0.210 0.000 0.804 154 L CB 1.508 43.714 42.059 0.246 0.000 1.195 154 L HN 0.615 nan 8.230 nan 0.000 0.428 155 S N 2.807 118.589 115.700 0.136 0.000 2.570 155 S HA 0.736 5.207 4.470 0.001 0.000 0.270 155 S C -1.011 173.464 174.600 -0.209 0.000 1.149 155 S CA -0.886 57.303 58.200 -0.017 0.000 0.837 155 S CB 1.649 64.826 63.200 -0.039 0.000 1.124 155 S HN 0.412 nan 8.310 nan 0.000 0.465 156 I N 1.529 121.950 120.570 -0.249 0.000 2.441 156 I HA 0.615 4.785 4.170 0.001 0.000 0.295 156 I C -1.052 174.953 176.117 -0.187 0.000 0.994 156 I CA -1.156 59.950 61.300 -0.324 0.000 1.144 156 I CB 2.140 39.925 38.000 -0.358 0.000 1.314 156 I HN 0.507 nan 8.210 nan 0.000 0.445 157 V N 5.094 124.905 119.914 -0.172 0.000 2.444 157 V HA 0.387 4.507 4.120 0.001 0.000 0.294 157 V C -0.489 175.545 176.094 -0.101 0.000 1.022 157 V CA -0.819 61.412 62.300 -0.115 0.000 0.850 157 V CB 1.613 33.376 31.823 -0.099 0.000 0.992 157 V HN 0.621 nan 8.190 nan 0.000 0.426 158 N N 4.472 123.125 118.700 -0.079 0.000 2.419 158 N HA 0.398 5.138 4.740 0.001 0.000 0.277 158 N C -0.747 174.730 175.510 -0.055 0.000 1.006 158 N CA -0.584 52.426 53.050 -0.066 0.000 0.923 158 N CB 2.124 40.575 38.487 -0.060 0.000 1.140 158 N HN 0.431 nan 8.380 nan 0.000 0.488 159 L N 2.695 123.889 121.223 -0.048 0.000 2.407 159 L HA 0.178 4.518 4.340 0.001 0.000 0.282 159 L C 0.738 177.579 176.870 -0.049 0.000 1.110 159 L CA 0.075 54.889 54.840 -0.044 0.000 0.863 159 L CB -0.528 41.511 42.059 -0.033 0.000 1.207 159 L HN 0.555 nan 8.230 nan 0.000 0.454 160 C N 2.582 121.846 119.300 -0.060 0.000 2.123 160 C HA 0.537 4.998 4.460 0.001 0.000 0.304 160 C C 0.434 175.377 174.990 -0.079 0.000 2.981 160 C CA -0.491 58.479 59.018 -0.081 0.000 1.895 160 C CB 1.621 29.309 27.740 -0.087 0.000 2.561 160 C HN 0.765 nan 8.230 nan 0.000 0.336 161 D N -1.260 119.083 120.400 -0.094 0.000 2.738 161 D HA 0.361 5.002 4.640 0.001 0.000 0.218 161 D C 0.160 176.412 176.300 -0.081 0.000 1.345 161 D CA -0.082 53.870 54.000 -0.079 0.000 0.943 161 D CB 1.551 42.321 40.800 -0.050 0.000 1.514 161 D HN 0.534 nan 8.370 nan 0.000 0.585 162 A N 3.838 126.617 122.820 -0.068 0.000 2.070 162 A HA -0.113 4.207 4.320 0.001 0.000 0.220 162 A C 1.566 179.131 177.584 -0.032 0.000 1.159 162 A CA 0.976 52.983 52.037 -0.050 0.000 0.656 162 A CB -0.181 18.794 19.000 -0.041 0.000 0.800 162 A HN 0.559 nan 8.150 nan 0.000 0.453 163 M N 0.528 120.111 119.600 -0.028 0.000 2.530 163 M HA 0.057 4.537 4.480 0.001 0.000 0.231 163 M C 1.718 178.039 176.300 0.035 0.000 1.180 163 M CA 0.244 55.551 55.300 0.012 0.000 0.985 163 M CB -0.733 31.872 32.600 0.008 0.000 1.623 163 M HN 0.406 nan 8.290 nan 0.000 0.475 164 V N -1.482 118.420 119.914 -0.020 0.000 2.469 164 V HA -0.194 3.926 4.120 0.001 0.000 0.251 164 V C 1.390 177.567 176.094 0.137 0.000 1.064 164 V CA 1.870 64.151 62.300 -0.032 0.000 1.066 164 V CB -0.717 30.875 31.823 -0.386 0.000 0.667 164 V HN 0.275 nan 8.190 nan 0.000 0.461 165 D N -0.035 120.417 120.400 0.087 0.000 2.355 165 D HA 0.073 4.713 4.640 0.001 0.000 0.218 165 D C 0.754 177.120 176.300 0.110 0.000 1.004 165 D CA 0.637 54.710 54.000 0.122 0.000 0.880 165 D CB 0.161 41.008 40.800 0.078 0.000 0.911 165 D HN 0.650 nan 8.370 nan 0.000 0.528 166 Q N 0.807 120.671 119.800 0.107 0.000 3.300 166 Q HA 0.227 4.567 4.340 0.001 0.000 0.271 166 Q C -2.358 173.718 176.000 0.127 0.000 0.926 166 Q CA -1.168 54.700 55.803 0.109 0.000 0.788 166 Q CB 2.238 31.037 28.738 0.101 0.000 1.385 166 Q HN 0.070 nan 8.270 nan 0.000 0.424 170 A N 2.971 125.936 122.820 0.240 0.000 2.887 170 A HA -0.173 4.147 4.320 0.001 0.000 0.257 170 A C -0.466 177.168 177.584 0.084 0.000 1.372 170 A CA 1.618 53.740 52.037 0.142 0.000 0.879 170 A CB -2.649 16.391 19.000 0.066 0.000 1.082 170 A HN 1.079 nan 8.150 nan 0.000 0.703 171 F N 0.503 120.486 119.950 0.056 0.000 2.923 171 F HA 0.293 4.820 4.527 -0.001 0.000 0.314 171 F C 1.705 177.568 175.800 0.105 0.000 1.196 171 F CA 0.521 58.563 58.000 0.070 0.000 1.320 171 F CB 0.149 39.221 39.000 0.121 0.000 0.953 171 F HN 0.190 nan 8.300 nan 0.000 0.505 172 S N 0.302 116.093 115.700 0.151 0.000 2.359 172 S HA -0.225 4.245 4.470 0.001 0.000 0.222 172 S C 2.260 176.908 174.600 0.079 0.000 1.038 172 S CA 1.522 59.782 58.200 0.099 0.000 1.051 172 S CB -0.359 62.867 63.200 0.044 0.000 0.944 172 S HN 0.449 nan 8.310 nan 0.000 0.433 173 L N -0.224 121.025 121.223 0.044 0.000 2.017 173 L HA -0.162 4.178 4.340 0.001 0.000 0.208 173 L C 2.405 179.305 176.870 0.050 0.000 1.073 173 L CA 1.800 56.652 54.840 0.020 0.000 0.745 173 L CB -0.665 41.383 42.059 -0.019 0.000 0.894 173 L HN 0.338 nan 8.230 nan 0.000 0.432 174 Y N 0.996 121.293 120.300 -0.004 0.000 2.081 174 Y HA -0.359 4.191 4.550 0.001 0.000 0.280 174 Y C 2.533 178.517 175.900 0.139 0.000 1.163 174 Y CA 2.214 60.364 58.100 0.083 0.000 1.135 174 Y CB -0.580 38.023 38.460 0.239 0.000 0.970 174 Y HN 0.236 nan 8.280 nan 0.000 0.498 175 N N -0.346 118.410 118.700 0.093 0.000 2.120 175 N HA -0.228 4.513 4.740 0.001 0.000 0.188 175 N C 1.870 177.413 175.510 0.055 0.000 1.024 175 N CA 1.659 54.740 53.050 0.052 0.000 0.852 175 N CB -0.199 38.411 38.487 0.204 0.000 1.003 175 N HN 0.466 nan 8.380 nan 0.000 0.424 176 M N 0.215 119.824 119.600 0.016 0.000 2.108 176 M HA -0.102 4.378 4.480 0.001 0.000 0.261 176 M C 2.345 178.636 176.300 -0.015 0.000 1.066 176 M CA 1.793 57.089 55.300 -0.007 0.000 1.107 176 M CB -0.510 32.077 32.600 -0.022 0.000 1.356 176 M HN 0.244 nan 8.290 nan 0.000 0.406 177 G N 0.267 109.022 108.800 -0.074 0.000 2.421 177 G HA2 -0.186 3.775 3.960 0.001 0.000 0.216 177 G HA3 -0.186 3.775 3.960 0.001 0.000 0.216 177 G C 1.696 176.513 174.900 -0.139 0.000 1.171 177 G CA 0.738 45.777 45.100 -0.101 0.000 0.775 177 G HN 0.229 nan 8.290 nan 0.000 0.543 178 K N 0.106 120.353 120.400 -0.255 0.000 2.103 178 K HA 0.005 4.325 4.320 0.001 0.000 0.204 178 K C 2.076 178.574 176.600 -0.169 0.000 1.052 178 K CA 0.599 56.730 56.287 -0.260 0.000 0.945 178 K CB -0.546 31.706 32.500 -0.414 0.000 0.722 178 K HN 0.446 nan 8.250 nan 0.000 0.443 179 H N 0.486 119.477 119.070 -0.132 0.000 2.321 179 H HA -0.068 4.489 4.556 0.002 0.000 0.300 179 H C 1.936 177.223 175.328 -0.068 0.000 1.087 179 H CA 1.604 57.604 56.048 -0.080 0.000 1.319 179 H CB 0.105 29.831 29.762 -0.060 0.000 1.379 179 H HN 0.186 nan 8.280 nan 0.000 0.501 180 A N 1.098 123.946 122.820 0.047 0.000 1.978 180 A HA -0.164 4.156 4.320 0.001 0.000 0.220 180 A C 2.472 180.045 177.584 -0.020 0.000 1.170 180 A CA 1.317 53.353 52.037 -0.002 0.000 0.636 180 A CB -0.701 18.282 19.000 -0.028 0.000 0.810 180 A HN 0.278 nan 8.150 nan 0.000 0.448 181 L N -0.196 121.003 121.223 -0.040 0.000 2.056 181 L HA -0.090 4.250 4.340 0.001 0.000 0.207 181 L C 2.426 179.269 176.870 -0.045 0.000 1.078 181 L CA 1.711 56.526 54.840 -0.043 0.000 0.749 181 L CB -0.538 41.482 42.059 -0.065 0.000 0.901 181 L HN 0.168 nan 8.230 nan 0.000 0.433 182 V N 0.058 119.932 119.914 -0.068 0.000 2.255 182 V HA -0.278 3.842 4.120 0.001 0.000 0.247 182 V C 2.630 178.708 176.094 -0.027 0.000 1.051 182 V CA 1.932 64.195 62.300 -0.062 0.000 1.018 182 V CB -1.751 30.011 31.823 -0.102 0.000 0.641 182 V HN 0.620 nan 8.190 nan 0.000 0.445 183 G N -0.140 108.653 108.800 -0.011 0.000 2.476 183 G HA2 -0.303 3.657 3.960 0.001 0.000 0.218 183 G HA3 -0.303 3.657 3.960 0.001 0.000 0.218 183 G C 1.597 176.501 174.900 0.008 0.000 1.164 183 G CA 1.346 46.447 45.100 0.002 0.000 0.768 183 G HN 0.456 nan 8.290 nan 0.000 0.560 184 L N 0.944 122.174 121.223 0.012 0.000 2.046 184 L HA -0.018 4.323 4.340 0.001 0.000 0.208 184 L C 2.916 179.803 176.870 0.028 0.000 1.077 184 L CA 2.694 57.560 54.840 0.043 0.000 0.747 184 L CB -1.009 41.089 42.059 0.066 0.000 0.896 184 L HN 0.207 nan 8.230 nan 0.000 0.432 185 T N -0.597 113.958 114.554 0.002 0.000 2.720 185 T HA -0.239 4.111 4.350 0.001 0.000 0.268 185 T C 1.816 176.513 174.700 -0.004 0.000 1.037 185 T CA 1.993 64.086 62.100 -0.011 0.000 1.144 185 T CB -0.224 68.627 68.868 -0.027 0.000 0.864 185 T HN 0.517 nan 8.240 nan 0.000 0.444 186 Q N 0.443 120.243 119.800 -0.000 0.000 2.049 186 Q HA 0.001 4.342 4.340 0.001 0.000 0.198 186 Q C 2.824 178.832 176.000 0.014 0.000 0.971 186 Q CA 1.217 57.021 55.803 0.003 0.000 0.833 186 Q CB -0.180 28.559 28.738 0.002 0.000 0.896 186 Q HN 0.359 nan 8.270 nan 0.000 0.434 187 S N 0.801 116.516 115.700 0.024 0.000 2.356 187 S HA -0.174 4.296 4.470 0.001 0.000 0.223 187 S C 2.035 176.666 174.600 0.050 0.000 1.032 187 S CA 1.192 59.416 58.200 0.039 0.000 1.005 187 S CB -0.258 62.972 63.200 0.051 0.000 0.867 187 S HN 0.495 nan 8.310 nan 0.000 0.449 188 A N 1.263 124.113 122.820 0.051 0.000 1.929 188 A HA 0.243 4.563 4.320 0.001 0.000 0.216 188 A C 2.326 179.935 177.584 0.042 0.000 1.176 188 A CA 1.500 53.569 52.037 0.052 0.000 0.628 188 A CB -1.002 18.021 19.000 0.040 0.000 0.816 188 A HN 0.497 nan 8.150 nan 0.000 0.444 189 A N -0.190 122.642 122.820 0.020 0.000 1.883 189 A HA -0.110 4.210 4.320 0.001 0.000 0.217 189 A C 2.152 179.745 177.584 0.015 0.000 1.186 189 A CA 1.842 53.884 52.037 0.009 0.000 0.624 189 A CB -0.687 18.306 19.000 -0.011 0.000 0.822 189 A HN 0.670 nan 8.150 nan 0.000 0.444 190 L N -0.230 121.004 121.223 0.018 0.000 1.994 190 L HA -0.147 4.193 4.340 0.001 0.000 0.208 190 L C 2.339 179.233 176.870 0.040 0.000 1.071 190 L CA 2.736 57.587 54.840 0.018 0.000 0.745 190 L CB -0.527 41.543 42.059 0.018 0.000 0.892 190 L HN 0.589 nan 8.230 nan 0.000 0.431 191 E N -1.087 119.153 120.200 0.066 0.000 2.208 191 E HA -0.125 4.226 4.350 0.001 0.000 0.193 191 E C 1.922 178.631 176.600 0.182 0.000 0.988 191 E CA 0.712 57.174 56.400 0.104 0.000 0.828 191 E CB 0.031 29.795 29.700 0.107 0.000 0.763 191 E HN 0.571 nan 8.360 nan 0.000 0.478 192 L N -0.452 120.876 121.223 0.174 0.000 2.616 192 L HA 0.268 4.609 4.340 0.001 0.000 0.229 192 L C 2.241 179.246 176.870 0.224 0.000 1.110 192 L CA 0.281 55.291 54.840 0.284 0.000 0.884 192 L CB 0.108 42.272 42.059 0.173 0.000 1.115 192 L HN 0.116 nan 8.230 nan 0.000 0.481 193 A N 1.617 124.496 122.820 0.099 0.000 1.917 193 A HA -0.141 4.179 4.320 0.001 0.000 0.219 193 A C -0.133 177.452 177.584 0.002 0.000 1.182 193 A CA 1.694 53.751 52.037 0.033 0.000 0.633 193 A CB -1.680 17.310 19.000 -0.018 0.000 0.819 193 A HN 0.266 nan 8.150 nan 0.000 0.448 194 P HA -0.128 nan 4.420 nan 0.000 0.221 194 P C 0.395 177.529 177.300 -0.276 0.000 1.145 194 P CA 0.970 63.944 63.100 -0.212 0.000 0.795 194 P CB -0.183 31.303 31.700 -0.357 0.000 0.775 195 Y N -1.749 118.558 120.300 0.012 0.000 2.490 195 Y HA 0.297 4.847 4.550 0.000 0.000 0.281 195 Y C 1.887 177.801 175.900 0.023 0.000 1.174 195 Y CA 0.405 58.515 58.100 0.016 0.000 1.295 195 Y CB -0.536 37.937 38.460 0.022 0.000 1.062 195 Y HN -0.033 nan 8.280 nan 0.000 0.522 196 G N 1.149 110.025 108.800 0.126 0.000 2.153 196 G HA2 -0.316 3.645 3.960 0.001 0.000 0.252 196 G HA3 -0.316 3.645 3.960 0.001 0.000 0.252 196 G C -0.036 174.934 174.900 0.117 0.000 0.994 196 G CA 0.104 45.260 45.100 0.093 0.000 0.698 196 G HN 0.363 nan 8.290 nan 0.000 0.521 197 I N 1.123 121.788 120.570 0.159 0.000 2.304 197 I HA 0.347 4.518 4.170 0.001 0.000 0.291 197 I C 1.012 177.185 176.117 0.094 0.000 1.018 197 I CA -0.717 60.684 61.300 0.168 0.000 1.260 197 I CB 0.805 38.956 38.000 0.250 0.000 1.390 197 I HN 0.031 nan 8.210 nan 0.000 0.475 198 R N 4.970 125.501 120.500 0.051 0.000 2.441 198 R HA 0.596 4.936 4.340 0.001 0.000 0.284 198 R C -0.975 175.311 176.300 -0.024 0.000 1.070 198 R CA -0.579 55.520 56.100 -0.002 0.000 1.047 198 R CB 1.426 31.709 30.300 -0.027 0.000 1.016 198 R HN 0.349 nan 8.270 nan 0.000 0.477 199 V N 3.484 123.377 119.914 -0.034 0.000 2.482 199 V HA 0.365 4.486 4.120 0.001 0.000 0.295 199 V C -0.473 175.592 176.094 -0.047 0.000 1.026 199 V CA -0.900 61.370 62.300 -0.050 0.000 0.856 199 V CB 1.417 33.219 31.823 -0.035 0.000 1.001 199 V HN 0.794 nan 8.190 nan 0.000 0.424 200 N N 2.107 120.772 118.700 -0.057 0.000 2.697 200 N HA 0.785 5.526 4.740 0.001 0.000 0.272 200 N C -0.349 175.135 175.510 -0.044 0.000 1.381 200 N CA -0.362 52.663 53.050 -0.042 0.000 0.797 200 N CB 2.853 41.317 38.487 -0.037 0.000 1.523 200 N HN 0.810 nan 8.380 nan 0.000 0.518 201 G N -0.593 108.190 108.800 -0.029 0.000 2.619 201 G HA2 0.596 4.556 3.960 0.001 0.000 0.296 201 G HA3 0.596 4.556 3.960 0.001 0.000 0.296 201 G C -1.461 173.428 174.900 -0.018 0.000 1.334 201 G CA -0.316 44.764 45.100 -0.033 0.000 0.934 201 G HN 0.247 nan 8.290 nan 0.000 0.476 202 V N 0.473 120.372 119.914 -0.025 0.000 2.487 202 V HA 0.698 4.818 4.120 0.001 0.000 0.298 202 V C 0.139 176.212 176.094 -0.036 0.000 1.028 202 V CA -0.714 61.574 62.300 -0.019 0.000 0.860 202 V CB 1.551 33.365 31.823 -0.014 0.000 0.991 202 V HN 1.159 nan 8.190 nan 0.000 0.427 203 A N 7.361 130.158 122.820 -0.038 0.000 2.394 203 A HA 0.815 5.135 4.320 0.001 0.000 0.333 203 A C -2.736 174.815 177.584 -0.055 0.000 1.397 203 A CA -1.637 50.368 52.037 -0.052 0.000 0.884 203 A CB 0.490 19.458 19.000 -0.054 0.000 1.147 203 A HN 0.594 nan 8.150 nan 0.000 0.505 204 P HA 0.266 nan 4.420 nan 0.000 0.272 204 P C 0.973 178.216 177.300 -0.096 0.000 1.223 204 P CA 0.232 63.284 63.100 -0.079 0.000 0.784 204 P CB 1.321 32.963 31.700 -0.096 0.000 0.923 205 G N 1.039 109.783 108.800 -0.094 0.000 2.548 205 G HA2 0.254 4.215 3.960 0.001 0.000 0.221 205 G HA3 0.254 4.215 3.960 0.001 0.000 0.221 205 G C -0.262 174.525 174.900 -0.188 0.000 1.796 205 G CA 0.120 45.154 45.100 -0.109 0.000 0.889 205 G HN 0.530 nan 8.290 nan 0.000 0.599 206 V N -0.927 118.893 119.914 -0.157 0.000 2.357 206 V HA 0.746 4.866 4.120 0.001 0.000 0.284 206 V C -0.036 175.982 176.094 -0.127 0.000 1.018 206 V CA -0.244 61.935 62.300 -0.201 0.000 0.841 206 V CB 0.859 32.569 31.823 -0.189 0.000 0.991 206 V HN 0.444 nan 8.190 nan 0.000 0.437 207 S N 4.614 120.227 115.700 -0.146 0.000 3.124 207 S HA 0.608 5.079 4.470 0.001 0.000 0.234 207 S C 0.184 174.727 174.600 -0.094 0.000 1.045 207 S CA -0.917 57.224 58.200 -0.098 0.000 1.200 207 S CB 0.657 63.801 63.200 -0.093 0.000 1.186 207 S HN 0.838 nan 8.310 nan 0.000 0.617 208 L N 2.753 123.931 121.223 -0.075 0.000 2.737 208 L HA 0.025 4.366 4.340 0.001 0.000 0.275 208 L C -0.402 176.420 176.870 -0.081 0.000 1.179 208 L CA 0.007 54.811 54.840 -0.060 0.000 0.970 208 L CB -0.691 41.341 42.059 -0.045 0.000 1.268 208 L HN 0.464 nan 8.230 nan 0.000 0.485 209 L N 6.112 127.299 121.223 -0.062 0.000 2.452 209 L HA 0.211 4.551 4.340 0.001 0.000 0.267 209 L C -1.753 175.098 176.870 -0.031 0.000 1.188 209 L CA -1.704 53.095 54.840 -0.068 0.000 0.821 209 L CB -0.063 41.982 42.059 -0.024 0.000 1.102 209 L HN 0.404 nan 8.230 nan 0.000 0.470 210 P HA -0.042 nan 4.420 nan 0.000 0.268 210 P C 0.789 178.119 177.300 0.050 0.000 1.205 210 P CA -0.328 62.798 63.100 0.044 0.000 0.771 210 P CB 0.620 32.397 31.700 0.129 0.000 0.858 211 V N 0.894 120.838 119.914 0.049 0.000 2.490 211 V HA -0.232 3.888 4.120 0.001 0.000 0.250 211 V C 1.871 177.994 176.094 0.047 0.000 1.061 211 V CA 2.012 64.337 62.300 0.041 0.000 1.064 211 V CB -1.977 29.866 31.823 0.034 0.000 0.670 211 V HN 0.515 nan 8.190 nan 0.000 0.461 212 A N 0.016 122.873 122.820 0.062 0.000 2.014 212 A HA 0.138 4.459 4.320 0.001 0.000 0.218 212 A C 1.573 179.198 177.584 0.068 0.000 1.163 212 A CA 1.156 53.230 52.037 0.061 0.000 0.652 212 A CB -0.426 18.614 19.000 0.067 0.000 0.808 212 A HN 0.663 nan 8.150 nan 0.000 0.449 213 M N 0.990 120.639 119.600 0.083 0.000 2.248 213 M HA 0.320 4.800 4.480 0.001 0.000 0.345 213 M C 0.709 177.056 176.300 0.078 0.000 1.243 213 M CA 0.105 55.463 55.300 0.096 0.000 1.090 213 M CB 0.411 33.078 32.600 0.111 0.000 1.683 213 M HN 0.297 nan 8.290 nan 0.000 0.450 214 G N 2.755 111.602 108.800 0.080 0.000 2.569 214 G HA2 0.059 4.019 3.960 0.001 0.000 0.249 214 G HA3 0.059 4.019 3.960 0.001 0.000 0.249 214 G C 0.294 175.234 174.900 0.067 0.000 1.216 214 G CA -0.449 44.688 45.100 0.063 0.000 0.845 214 G HN 0.913 nan 8.290 nan 0.000 0.568 215 E N -0.222 120.008 120.200 0.050 0.000 2.110 215 E HA -0.136 4.215 4.350 0.001 0.000 0.193 215 E C 2.158 178.787 176.600 0.049 0.000 0.988 215 E CA 1.493 57.921 56.400 0.047 0.000 0.804 215 E CB -0.003 29.716 29.700 0.033 0.000 0.745 215 E HN 0.737 nan 8.360 nan 0.000 0.458 216 E N -0.109 120.116 120.200 0.043 0.000 2.158 216 E HA -0.153 4.197 4.350 0.001 0.000 0.191 216 E C 1.843 178.467 176.600 0.040 0.000 0.982 216 E CA 0.666 57.086 56.400 0.032 0.000 0.823 216 E CB 0.003 29.715 29.700 0.019 0.000 0.766 216 E HN 0.277 nan 8.360 nan 0.000 0.468 217 E N 0.443 120.683 120.200 0.067 0.000 2.208 217 E HA -0.148 4.203 4.350 0.001 0.000 0.193 217 E C 1.793 178.515 176.600 0.203 0.000 0.988 217 E CA 0.613 57.075 56.400 0.104 0.000 0.828 217 E CB 0.233 30.017 29.700 0.141 0.000 0.763 217 E HN 0.161 nan 8.360 nan 0.000 0.478 218 K N 0.536 121.039 120.400 0.173 0.000 2.025 218 K HA -0.136 4.184 4.320 0.001 0.000 0.207 218 K C 1.741 178.439 176.600 0.163 0.000 1.049 218 K CA 1.428 57.827 56.287 0.186 0.000 0.933 218 K CB -0.027 32.538 32.500 0.107 0.000 0.714 218 K HN 0.055 nan 8.250 nan 0.000 0.438 219 D N 0.892 121.349 120.400 0.094 0.000 2.178 219 D HA -0.115 4.525 4.640 0.001 0.000 0.201 219 D C 1.710 178.034 176.300 0.040 0.000 0.980 219 D CA 1.040 55.076 54.000 0.060 0.000 0.842 219 D CB 0.011 40.830 40.800 0.032 0.000 0.948 219 D HN 0.138 nan 8.370 nan 0.000 0.472 220 K N -0.397 120.006 120.400 0.006 0.000 2.032 220 K HA -0.161 4.159 4.320 0.001 0.000 0.209 220 K C 2.207 178.723 176.600 -0.140 0.000 1.048 220 K CA 1.057 57.281 56.287 -0.105 0.000 0.927 220 K CB -0.195 32.184 32.500 -0.201 0.000 0.712 220 K HN 0.250 nan 8.250 nan 0.000 0.441 221 W N 1.036 122.332 121.300 -0.007 0.000 2.379 221 W HA -0.095 4.564 4.660 -0.001 0.000 0.307 221 W C 2.420 178.929 176.519 -0.017 0.000 1.200 221 W CA 0.791 58.128 57.345 -0.013 0.000 1.297 221 W CB -0.178 29.273 29.460 -0.015 0.000 1.140 221 W HN 0.036 nan 8.180 nan 0.000 0.507 222 R N 0.224 120.855 120.500 0.218 0.000 2.103 222 R HA -0.173 4.167 4.340 0.001 0.000 0.242 222 R C 2.093 178.435 176.300 0.070 0.000 1.142 222 R CA 1.705 57.876 56.100 0.118 0.000 0.960 222 R CB -0.569 29.779 30.300 0.080 0.000 0.858 222 R HN 0.185 nan 8.270 nan 0.000 0.439 223 R N 0.656 121.180 120.500 0.039 0.000 2.200 223 R HA -0.121 4.220 4.340 0.001 0.000 0.234 223 R C 1.844 178.142 176.300 -0.003 0.000 1.127 223 R CA 1.150 57.252 56.100 0.004 0.000 0.989 223 R CB -0.054 30.233 30.300 -0.023 0.000 0.869 223 R HN 0.261 nan 8.270 nan 0.000 0.459 224 K N 0.216 120.625 120.400 0.015 0.000 2.305 224 K HA 0.047 4.367 4.320 0.001 0.000 0.199 224 K C 0.345 176.964 176.600 0.032 0.000 1.047 224 K CA 0.327 56.619 56.287 0.010 0.000 0.976 224 K CB 0.400 32.918 32.500 0.029 0.000 0.765 224 K HN -0.074 nan 8.250 nan 0.000 0.474 225 V N 3.642 123.587 119.914 0.052 0.000 2.421 225 V HA 0.006 4.127 4.120 0.001 0.000 0.271 225 V C -1.679 174.423 176.094 0.014 0.000 1.031 225 V CA -0.965 61.359 62.300 0.039 0.000 1.032 225 V CB 0.724 32.573 31.823 0.043 0.000 1.009 225 V HN 0.049 nan 8.190 nan 0.000 0.477 226 P HA -0.135 nan 4.420 nan 0.000 0.214 226 P C 0.676 177.975 177.300 -0.002 0.000 1.163 226 P CA 0.705 63.802 63.100 -0.004 0.000 0.889 226 P CB 0.152 31.848 31.700 -0.007 0.000 0.790 227 L N -0.249 120.974 121.223 -0.001 0.000 2.404 227 L HA 0.398 4.738 4.340 0.001 0.000 0.277 227 L C 1.131 178.001 176.870 -0.000 0.000 1.184 227 L CA 0.618 55.456 54.840 -0.003 0.000 1.013 227 L CB -1.278 40.778 42.059 -0.006 0.000 1.318 227 L HN 0.337 nan 8.230 nan 0.000 0.435 228 G N 2.896 111.695 108.800 -0.000 0.000 2.175 228 G HA2 -0.282 3.679 3.960 0.001 0.000 0.244 228 G HA3 -0.282 3.679 3.960 0.001 0.000 0.244 228 G C 0.477 175.381 174.900 0.006 0.000 0.982 228 G CA -0.083 45.018 45.100 0.002 0.000 0.641 228 G HN 0.617 nan 8.290 nan 0.000 0.527 229 R N -1.074 119.431 120.500 0.009 0.000 3.301 229 R HA -0.229 4.111 4.340 0.001 0.000 0.249 229 R C 0.604 176.917 176.300 0.023 0.000 0.964 229 R CA 2.067 58.176 56.100 0.015 0.000 0.653 229 R CB -2.708 27.598 30.300 0.009 0.000 1.043 229 R HN 1.440 nan 8.270 nan 0.000 0.454 230 R N -1.005 119.510 120.500 0.024 0.000 2.710 230 R HA 0.406 4.746 4.340 0.001 0.000 0.270 230 R C -0.253 176.060 176.300 0.021 0.000 1.021 230 R CA -1.180 54.933 56.100 0.023 0.000 0.889 230 R CB 1.609 31.916 30.300 0.012 0.000 1.243 230 R HN 0.110 nan 8.270 nan 0.000 0.464 231 E N 2.042 122.252 120.200 0.017 0.000 2.374 231 E HA 0.315 4.665 4.350 0.001 0.000 0.260 231 E C -0.508 176.085 176.600 -0.013 0.000 1.101 231 E CA -0.424 55.974 56.400 -0.002 0.000 0.907 231 E CB 1.009 30.701 29.700 -0.014 0.000 1.014 231 E HN 0.655 nan 8.360 nan 0.000 0.427 232 A N 2.240 125.045 122.820 -0.026 0.000 2.477 232 A HA 0.227 4.548 4.320 0.001 0.000 0.246 232 A C 0.592 178.160 177.584 -0.026 0.000 1.078 232 A CA 0.085 52.106 52.037 -0.026 0.000 0.770 232 A CB -0.118 18.861 19.000 -0.035 0.000 1.011 232 A HN 0.731 nan 8.150 nan 0.000 0.494 233 S N 1.994 117.683 115.700 -0.019 0.000 2.576 233 S HA 0.348 4.818 4.470 0.001 0.000 0.272 233 S C 1.370 175.957 174.600 -0.021 0.000 1.352 233 S CA -0.097 58.093 58.200 -0.017 0.000 1.021 233 S CB 0.825 64.019 63.200 -0.011 0.000 0.887 233 S HN 1.672 nan 8.310 nan 0.000 0.542 234 A N 1.328 124.136 122.820 -0.020 0.000 1.940 234 A HA -0.099 4.221 4.320 0.001 0.000 0.219 234 A C 2.035 179.611 177.584 -0.014 0.000 1.176 234 A CA 1.905 53.930 52.037 -0.020 0.000 0.631 234 A CB -1.173 17.817 19.000 -0.016 0.000 0.814 234 A HN 0.909 nan 8.150 nan 0.000 0.446 235 E N -0.086 120.109 120.200 -0.009 0.000 2.110 235 E HA -0.184 4.167 4.350 0.001 0.000 0.193 235 E C 2.221 178.819 176.600 -0.003 0.000 0.988 235 E CA 1.520 57.918 56.400 -0.003 0.000 0.804 235 E CB -0.275 29.425 29.700 0.000 0.000 0.745 235 E HN 0.763 nan 8.360 nan 0.000 0.458 236 Q N -0.240 119.555 119.800 -0.009 0.000 2.084 236 Q HA -0.130 4.210 4.340 0.001 0.000 0.202 236 Q C 1.964 177.957 176.000 -0.012 0.000 0.978 236 Q CA 0.877 56.673 55.803 -0.011 0.000 0.844 236 Q CB -0.054 28.675 28.738 -0.016 0.000 0.898 236 Q HN 0.280 nan 8.270 nan 0.000 0.426 237 I N 0.800 121.360 120.570 -0.017 0.000 2.163 237 I HA -0.244 3.927 4.170 0.001 0.000 0.243 237 I C 2.358 178.470 176.117 -0.008 0.000 1.085 237 I CA 1.419 62.708 61.300 -0.018 0.000 1.347 237 I CB -1.621 36.361 38.000 -0.029 0.000 1.044 237 I HN 0.123 nan 8.210 nan 0.000 0.408 238 A N 0.460 123.276 122.820 -0.006 0.000 1.933 238 A HA -0.219 4.102 4.320 0.001 0.000 0.218 238 A C 2.008 179.600 177.584 0.013 0.000 1.175 238 A CA 1.819 53.855 52.037 -0.002 0.000 0.628 238 A CB -0.610 18.389 19.000 -0.002 0.000 0.814 238 A HN 0.351 nan 8.150 nan 0.000 0.444 239 D N 0.100 120.511 120.400 0.019 0.000 2.123 239 D HA -0.105 4.535 4.640 0.001 0.000 0.196 239 D C 2.202 178.545 176.300 0.072 0.000 0.992 239 D CA 1.564 55.586 54.000 0.037 0.000 0.833 239 D CB -0.320 40.492 40.800 0.019 0.000 0.954 239 D HN 0.441 nan 8.370 nan 0.000 0.455 240 A N 0.347 123.201 122.820 0.057 0.000 1.930 240 A HA -0.092 4.228 4.320 0.001 0.000 0.217 240 A C 2.525 180.183 177.584 0.124 0.000 1.175 240 A CA 0.940 53.038 52.037 0.102 0.000 0.627 240 A CB -0.534 18.498 19.000 0.052 0.000 0.815 240 A HN 0.143 nan 8.150 nan 0.000 0.443 241 V N 0.587 120.532 119.914 0.051 0.000 2.295 241 V HA -0.238 3.882 4.120 0.001 0.000 0.246 241 V C 2.419 178.516 176.094 0.005 0.000 1.049 241 V CA 1.649 63.953 62.300 0.008 0.000 1.024 241 V CB -0.663 31.140 31.823 -0.032 0.000 0.648 241 V HN 0.501 nan 8.190 nan 0.000 0.447 242 I N -0.299 120.290 120.570 0.032 0.000 2.208 242 I HA -0.246 3.925 4.170 0.001 0.000 0.245 242 I C 2.380 178.545 176.117 0.080 0.000 1.097 242 I CA 1.939 63.264 61.300 0.041 0.000 1.363 242 I CB -1.065 36.972 38.000 0.061 0.000 1.051 242 I HN 0.405 nan 8.210 nan 0.000 0.413 243 F N 1.866 121.816 119.950 -0.000 0.000 2.075 243 F HA -0.206 4.321 4.527 -0.000 0.000 0.297 243 F C 2.381 178.187 175.800 0.010 0.000 1.113 243 F CA 1.662 59.667 58.000 0.008 0.000 1.218 243 F CB -0.614 38.388 39.000 0.004 0.000 0.984 243 F HN -0.090 nan 8.300 nan 0.000 0.472 244 L N 0.305 121.407 121.223 -0.201 0.000 2.127 244 L HA -0.181 4.160 4.340 0.001 0.000 0.211 244 L C 2.461 179.192 176.870 -0.232 0.000 1.089 244 L CA 1.408 56.074 54.840 -0.289 0.000 0.757 244 L CB -0.795 41.218 42.059 -0.076 0.000 0.899 244 L HN 0.331 nan 8.230 nan 0.000 0.434 245 V N -3.745 116.084 119.914 -0.141 0.000 3.306 245 V HA 0.036 4.157 4.120 0.001 0.000 0.264 245 V C 1.447 177.520 176.094 -0.035 0.000 1.149 245 V CA 0.383 62.635 62.300 -0.079 0.000 1.143 245 V CB -0.654 31.119 31.823 -0.084 0.000 0.767 245 V HN 0.410 nan 8.190 nan 0.000 0.476 246 S N 0.701 116.346 115.700 -0.091 0.000 2.624 246 S HA 0.525 4.996 4.470 0.001 0.000 0.263 246 S C 1.427 175.979 174.600 -0.079 0.000 1.287 246 S CA 0.159 58.332 58.200 -0.046 0.000 0.990 246 S CB 0.963 64.146 63.200 -0.027 0.000 0.950 246 S HN 0.608 nan 8.310 nan 0.000 0.561 247 G N 0.168 108.949 108.800 -0.031 0.000 2.559 247 G HA2 -0.048 3.912 3.960 0.001 0.000 0.216 247 G HA3 -0.048 3.912 3.960 0.001 0.000 0.216 247 G C 1.122 176.003 174.900 -0.031 0.000 1.126 247 G CA 0.386 45.473 45.100 -0.023 0.000 0.778 247 G HN 0.685 nan 8.290 nan 0.000 0.543 248 S N 0.108 115.780 115.700 -0.047 0.000 2.607 248 S HA 0.265 4.735 4.470 0.001 0.000 0.224 248 S C 1.769 176.278 174.600 -0.152 0.000 0.969 248 S CA 0.583 58.777 58.200 -0.010 0.000 0.927 248 S CB 0.178 63.455 63.200 0.128 0.000 0.772 248 S HN 0.532 nan 8.310 nan 0.000 0.533 249 A N 0.223 122.856 122.820 -0.312 0.000 2.606 249 A HA 0.329 4.649 4.320 0.001 0.000 0.290 249 A C 1.323 178.826 177.584 -0.135 0.000 1.174 249 A CA -0.389 51.416 52.037 -0.387 0.000 0.958 249 A CB 0.074 18.610 19.000 -0.773 0.000 1.194 249 A HN 0.287 nan 8.150 nan 0.000 0.526 250 Q N -1.422 118.355 119.800 -0.039 0.000 2.291 250 Q HA -0.144 4.196 4.340 0.001 0.000 0.206 250 Q C 0.857 176.913 176.000 0.094 0.000 0.976 250 Q CA 1.270 57.086 55.803 0.022 0.000 0.875 250 Q CB -0.071 28.689 28.738 0.037 0.000 0.927 250 Q HN 0.840 nan 8.270 nan 0.000 0.450 251 Y N -0.016 120.270 120.300 -0.024 0.000 2.457 251 Y HA 0.206 4.757 4.550 0.001 0.000 0.263 251 Y C 0.246 176.144 175.900 -0.004 0.000 1.164 251 Y CA -0.218 57.878 58.100 -0.006 0.000 1.274 251 Y CB 0.657 39.121 38.460 0.007 0.000 1.097 251 Y HN -0.107 nan 8.280 nan 0.000 0.523 252 I N 1.014 121.592 120.570 0.013 0.000 2.312 252 I HA 0.228 4.398 4.170 0.001 0.000 0.291 252 I C 0.132 176.208 176.117 -0.069 0.000 1.031 252 I CA -0.016 61.273 61.300 -0.019 0.000 1.293 252 I CB 0.991 38.993 38.000 0.005 0.000 1.403 252 I HN -0.083 nan 8.210 nan 0.000 0.484 253 T N 3.522 118.027 114.554 -0.083 0.000 2.923 253 T HA 0.546 4.897 4.350 0.001 0.000 0.311 253 T C 0.456 175.126 174.700 -0.050 0.000 1.183 253 T CA 0.337 62.396 62.100 -0.069 0.000 1.020 253 T CB 1.557 70.375 68.868 -0.083 0.000 1.165 253 T HN 0.932 nan 8.240 nan 0.000 0.482 254 G N 2.225 111.005 108.800 -0.034 0.000 2.162 254 G HA2 -0.209 3.751 3.960 0.001 0.000 0.260 254 G HA3 -0.209 3.751 3.960 0.001 0.000 0.260 254 G C 0.167 175.060 174.900 -0.013 0.000 0.976 254 G CA 0.448 45.535 45.100 -0.022 0.000 0.655 254 G HN 0.953 nan 8.290 nan 0.000 0.533 255 S N -0.322 115.374 115.700 -0.007 0.000 2.541 255 S HA 0.729 5.200 4.470 0.001 0.000 0.283 255 S C 0.137 174.741 174.600 0.007 0.000 1.196 255 S CA -0.363 57.843 58.200 0.010 0.000 1.062 255 S CB 1.436 64.657 63.200 0.036 0.000 1.009 255 S HN 0.368 nan 8.310 nan 0.000 0.502 256 I N 3.399 123.971 120.570 0.005 0.000 2.411 256 I HA 0.362 4.532 4.170 0.001 0.000 0.284 256 I C -0.753 175.368 176.117 0.006 0.000 1.012 256 I CA -0.318 60.979 61.300 -0.005 0.000 1.119 256 I CB 1.078 39.063 38.000 -0.026 0.000 1.261 256 I HN 0.478 nan 8.210 nan 0.000 0.448 257 I N 6.679 127.260 120.570 0.019 0.000 2.337 257 I HA 0.176 4.346 4.170 0.001 0.000 0.291 257 I C 0.528 176.643 176.117 -0.003 0.000 1.046 257 I CA -0.431 60.882 61.300 0.021 0.000 1.324 257 I CB 0.306 38.337 38.000 0.051 0.000 1.409 257 I HN 0.433 nan 8.210 nan 0.000 0.494 258 K N 5.142 125.535 120.400 -0.011 0.000 2.412 258 K HA 0.277 4.597 4.320 0.001 0.000 0.281 258 K C -0.613 175.974 176.600 -0.022 0.000 1.027 258 K CA -0.078 56.197 56.287 -0.020 0.000 0.989 258 K CB 1.054 33.543 32.500 -0.018 0.000 0.935 258 K HN 0.377 nan 8.250 nan 0.000 0.475 259 V N 4.655 124.552 119.914 -0.028 0.000 2.313 259 V HA 0.050 4.171 4.120 0.001 0.000 0.262 259 V C -0.213 175.861 176.094 -0.032 0.000 1.011 259 V CA -0.454 61.828 62.300 -0.029 0.000 0.858 259 V CB 0.545 32.351 31.823 -0.028 0.000 1.104 259 V HN 0.891 nan 8.190 nan 0.000 0.456 260 D N 1.392 121.776 120.400 -0.026 0.000 2.539 260 D HA 0.144 4.785 4.640 0.001 0.000 0.232 260 D C 1.346 177.639 176.300 -0.011 0.000 1.256 260 D CA 0.440 54.425 54.000 -0.024 0.000 0.810 260 D CB 0.721 41.507 40.800 -0.023 0.000 1.090 260 D HN 0.602 nan 8.370 nan 0.000 0.519 261 G N 0.599 109.392 108.800 -0.012 0.000 2.233 261 G HA2 -0.119 3.842 3.960 0.001 0.000 0.270 261 G HA3 -0.119 3.842 3.960 0.001 0.000 0.270 261 G C 1.280 176.179 174.900 -0.001 0.000 1.011 261 G CA 0.905 46.001 45.100 -0.006 0.000 0.762 261 G HN 1.471 nan 8.290 nan 0.000 0.511 262 G N -1.794 107.005 108.800 -0.001 0.000 2.175 262 G HA2 -0.155 3.806 3.960 0.001 0.000 0.244 262 G HA3 -0.155 3.806 3.960 0.001 0.000 0.244 262 G C 1.203 176.109 174.900 0.011 0.000 0.982 262 G CA 1.062 46.163 45.100 0.003 0.000 0.641 262 G HN 1.577 nan 8.290 nan 0.000 0.527 263 L N 2.416 123.650 121.223 0.019 0.000 2.021 263 L HA -0.065 4.275 4.340 0.001 0.000 0.215 263 L C 2.934 179.831 176.870 0.045 0.000 1.074 263 L CA 3.548 58.414 54.840 0.042 0.000 0.760 263 L CB -0.776 41.320 42.059 0.061 0.000 0.889 263 L HN 0.902 nan 8.230 nan 0.000 0.433 264 S N -1.524 114.196 115.700 0.033 0.000 2.500 264 S HA -0.117 4.353 4.470 0.001 0.000 0.239 264 S C 1.707 176.329 174.600 0.036 0.000 0.989 264 S CA 1.171 59.393 58.200 0.036 0.000 0.951 264 S CB -0.826 62.386 63.200 0.021 0.000 0.759 264 S HN 0.548 nan 8.310 nan 0.000 0.523 265 L N 1.212 122.451 121.223 0.027 0.000 2.592 265 L HA 0.305 4.646 4.340 0.001 0.000 0.227 265 L C -0.158 176.726 176.870 0.024 0.000 1.127 265 L CA -0.220 54.637 54.840 0.029 0.000 0.884 265 L CB 0.114 42.185 42.059 0.020 0.000 1.065 265 L HN 0.156 nan 8.230 nan 0.000 0.457 266 V N 0.759 120.678 119.914 0.007 0.000 2.368 266 V HA 0.082 4.203 4.120 0.001 0.000 0.266 266 V C 0.132 176.204 176.094 -0.038 0.000 1.045 266 V CA -0.841 61.425 62.300 -0.057 0.000 0.899 266 V CB 0.182 31.967 31.823 -0.063 0.000 1.006 266 V HN 0.386 nan 8.190 nan 0.000 0.470 267 H N 3.653 122.733 119.070 0.017 0.000 2.757 267 H HA 0.632 5.188 4.556 0.001 0.000 0.370 267 H C 0.443 175.776 175.328 0.008 0.000 1.172 267 H CA 0.168 56.225 56.048 0.015 0.000 1.426 267 H CB 0.463 30.232 29.762 0.011 0.000 1.438 267 H HN 0.732 nan 8.280 nan 0.000 0.612 268 A N 0.000 122.937 122.820 0.195 0.000 2.254 268 A HA 0.000 4.320 4.320 0.001 0.000 0.244 268 A CA 0.000 52.108 52.037 0.119 0.000 0.836 268 A CB 0.000 19.054 19.000 0.090 0.000 0.831 268 A HN 0.000 nan 8.150 nan 0.000 0.486