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 2p50_1_B DATA FIRST_RESID 1 DATA SEQUENCE MYALTQGRIF TGHEFLDDHA VVIADGLIKS VCPVAELPPE IEQRSLNGAI DATA SEQUENCE LSPGFIDVQL NGCGGVQFND TAEAVSVETL EIMQKANEKS GCTNYLPTLI DATA SEQUENCE TTSDELMKQG VRVMREYLAK HPNQALGLHL EGPWLNLVKK GTHNPNFVRK DATA SEQUENCE PDAALVDFLC ENADVITKVT LAPEMVPAEV ISKLANAGIV VSAGHSNATL DATA SEQUENCE KEAKAGFRAG ITFATHLYNA MPYITGREPG LAGAILDEAD IYCGIIADGL DATA SEQUENCE HVDYANIRNA KRLKGDKLCL VTDATAPAGA XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXSGSS LTMIEGVRNL VEHCGIALDE VLRMATLYPA RAIGVEKRLG DATA SEQUENCE TLAAGKVANL TAFTPDFKIT KTIVNGNEVV TQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.402 176.300 0.170 0.000 1.140 1 M CA 0.000 55.351 55.300 0.086 0.000 0.988 1 M CB 0.000 32.592 32.600 -0.014 0.000 1.302 2 Y N -0.846 119.453 120.300 -0.001 0.000 2.655 2 Y HA 1.005 5.555 4.550 0.000 0.000 0.336 2 Y C -1.754 174.145 175.900 -0.000 0.000 1.154 2 Y CA -0.891 57.208 58.100 -0.001 0.000 1.055 2 Y CB 1.274 39.733 38.460 -0.001 0.000 1.295 2 Y HN 1.107 nan 8.280 nan 0.000 0.465 3 A N 1.945 124.820 122.820 0.091 0.000 2.386 3 A HA 0.763 5.083 4.320 0.000 0.000 0.311 3 A C -1.724 175.925 177.584 0.109 0.000 1.068 3 A CA -0.919 51.121 52.037 0.005 0.000 0.743 3 A CB 1.154 20.158 19.000 0.006 0.000 1.258 3 A HN 0.776 nan 8.150 nan 0.000 0.429 4 L N 2.519 123.780 121.223 0.063 0.000 2.264 4 L HA 0.595 4.935 4.340 0.000 0.000 0.289 4 L C 0.733 177.635 176.870 0.054 0.000 1.044 4 L CA -0.138 54.757 54.840 0.091 0.000 0.807 4 L CB 1.599 43.708 42.059 0.084 0.000 1.192 4 L HN 0.984 nan 8.230 nan 0.000 0.425 5 T N -0.999 113.584 114.554 0.050 0.000 2.742 5 T HA 0.396 4.746 4.350 0.000 0.000 0.282 5 T C -0.461 174.255 174.700 0.026 0.000 1.025 5 T CA -0.843 61.280 62.100 0.037 0.000 1.020 5 T CB 1.343 70.229 68.868 0.030 0.000 1.317 5 T HN 0.540 nan 8.240 nan 0.000 0.538 6 Q N -0.193 119.621 119.800 0.023 0.000 2.447 6 Q HA 0.003 4.343 4.340 0.000 0.000 0.348 6 Q C 0.075 176.076 176.000 0.002 0.000 1.421 6 Q CA 0.770 56.580 55.803 0.012 0.000 0.978 6 Q CB -1.998 26.743 28.738 0.005 0.000 1.191 6 Q HN 1.314 nan 8.270 nan 0.000 0.371 7 G N -0.046 108.759 108.800 0.008 0.000 2.489 7 G HA2 0.373 4.333 3.960 0.000 0.000 0.291 7 G HA3 0.373 4.333 3.960 0.000 0.000 0.291 7 G C -1.273 173.631 174.900 0.008 0.000 1.487 7 G CA -1.248 43.844 45.100 -0.014 0.000 0.795 7 G HN 0.113 nan 8.290 nan 0.000 0.513 8 R N 0.051 120.543 120.500 -0.013 0.000 2.401 8 R HA 0.292 4.632 4.340 0.000 0.000 0.299 8 R C -0.249 176.127 176.300 0.126 0.000 1.064 8 R CA 0.080 56.211 56.100 0.052 0.000 1.000 8 R CB 0.778 31.068 30.300 -0.015 0.000 0.973 8 R HN 0.367 nan 8.270 nan 0.000 0.438 9 I N 4.259 124.930 120.570 0.168 0.000 2.330 9 I HA 0.181 4.351 4.170 0.000 0.000 0.289 9 I C -0.394 175.830 176.117 0.178 0.000 1.001 9 I CA -0.526 60.854 61.300 0.133 0.000 1.193 9 I CB 0.903 38.931 38.000 0.047 0.000 1.345 9 I HN 0.460 nan 8.210 nan 0.000 0.461 10 F N 6.163 126.095 119.950 -0.030 0.000 2.361 10 F HA 0.192 4.719 4.527 0.000 0.000 0.364 10 F C 1.507 177.194 175.800 -0.188 0.000 1.120 10 F CA -0.476 57.350 58.000 -0.290 0.000 1.102 10 F CB 1.259 39.993 39.000 -0.445 0.000 1.183 10 F HN 0.601 nan 8.300 nan 0.000 0.476 11 T N 1.185 115.290 114.554 -0.748 0.000 3.055 11 T HA 0.241 4.591 4.350 0.000 0.000 0.265 11 T C 1.490 175.726 174.700 -0.773 0.000 1.111 11 T CA 0.893 62.656 62.100 -0.561 0.000 1.118 11 T CB 0.034 68.710 68.868 -0.320 0.000 0.909 11 T HN 1.164 nan 8.240 nan 0.000 0.501 12 G N 0.330 108.149 108.800 -1.635 0.000 2.316 12 G HA2 -0.190 3.770 3.960 0.000 0.000 0.203 12 G HA3 -0.190 3.770 3.960 0.000 0.000 0.203 12 G C 0.626 174.890 174.900 -1.059 0.000 0.999 12 G CA 0.261 44.626 45.100 -1.225 0.000 0.649 12 G HN 0.627 nan 8.290 nan 0.000 0.489 13 H N 0.883 119.578 119.070 -0.625 0.000 3.058 13 H HA 0.452 5.008 4.556 0.000 0.000 0.258 13 H C 0.780 175.997 175.328 -0.186 0.000 1.015 13 H CA 0.769 56.659 56.048 -0.263 0.000 1.210 13 H CB 0.902 30.565 29.762 -0.165 0.000 1.481 13 H HN 0.726 nan 8.280 nan 0.000 0.492 14 E N -0.513 119.541 120.200 -0.244 0.000 2.409 14 E HA 0.186 4.536 4.350 0.000 0.000 0.280 14 E C -1.621 174.913 176.600 -0.110 0.000 1.079 14 E CA -0.856 55.510 56.400 -0.057 0.000 0.840 14 E CB 0.883 30.584 29.700 0.000 0.000 1.309 14 E HN -0.066 nan 8.360 nan 0.000 0.447 15 F N 0.661 120.709 119.950 0.163 0.000 2.397 15 F HA 0.513 5.040 4.527 0.000 0.000 0.331 15 F C -0.077 175.713 175.800 -0.017 0.000 1.090 15 F CA -0.647 57.433 58.000 0.132 0.000 1.065 15 F CB 1.330 40.407 39.000 0.129 0.000 1.184 15 F HN 0.194 nan 8.300 nan 0.000 0.499 16 L N 3.224 124.531 121.223 0.139 0.000 2.381 16 L HA 0.344 4.684 4.340 0.000 0.000 0.274 16 L C -0.031 176.873 176.870 0.057 0.000 0.988 16 L CA -0.535 54.244 54.840 -0.102 0.000 0.824 16 L CB 1.933 43.720 42.059 -0.453 0.000 1.263 16 L HN 0.639 nan 8.230 nan 0.000 0.410 17 D N 0.230 120.699 120.400 0.114 0.000 2.324 17 D HA 0.008 4.648 4.640 0.000 0.000 0.212 17 D C -0.026 176.369 176.300 0.159 0.000 0.984 17 D CA 0.972 55.045 54.000 0.122 0.000 0.885 17 D CB 0.900 41.746 40.800 0.076 0.000 0.996 17 D HN 0.561 nan 8.370 nan 0.000 0.505 18 D N 0.414 120.987 120.400 0.288 0.000 2.980 18 D HA 0.146 4.786 4.640 0.000 0.000 0.333 18 D C 0.243 176.594 176.300 0.086 0.000 1.356 18 D CA -0.107 53.980 54.000 0.145 0.000 0.847 18 D CB 0.809 41.636 40.800 0.045 0.000 1.122 18 D HN 0.284 nan 8.370 nan 0.000 0.475 19 H N -0.018 119.062 119.070 0.016 0.000 2.995 19 H HA 0.818 5.374 4.556 0.000 0.000 0.305 19 H C -0.386 174.946 175.328 0.006 0.000 1.510 19 H CA -1.081 54.973 56.048 0.010 0.000 1.376 19 H CB 2.385 32.154 29.762 0.013 0.000 1.918 19 H HN 0.086 nan 8.280 nan 0.000 0.709 20 A N 0.528 123.436 122.820 0.146 0.000 2.609 20 A HA 0.531 4.851 4.320 0.000 0.000 0.291 20 A C -1.558 176.051 177.584 0.042 0.000 1.096 20 A CA -0.525 51.553 52.037 0.068 0.000 0.684 20 A CB 1.539 20.559 19.000 0.033 0.000 1.282 20 A HN 0.274 nan 8.150 nan 0.000 0.412 21 V N 1.396 121.314 119.914 0.007 0.000 2.444 21 V HA 0.552 4.672 4.120 0.000 0.000 0.294 21 V C -0.086 175.955 176.094 -0.089 0.000 1.022 21 V CA -0.563 61.718 62.300 -0.032 0.000 0.850 21 V CB 1.373 33.176 31.823 -0.034 0.000 0.992 21 V HN 1.173 nan 8.190 nan 0.000 0.426 22 V N 4.015 123.864 119.914 -0.107 0.000 2.407 22 V HA 0.678 4.798 4.120 0.000 0.000 0.278 22 V C -0.324 175.621 176.094 -0.248 0.000 1.037 22 V CA -0.373 61.823 62.300 -0.174 0.000 0.900 22 V CB 1.185 32.942 31.823 -0.109 0.000 0.983 22 V HN 0.663 nan 8.190 nan 0.000 0.459 23 I N 4.466 124.757 120.570 -0.465 0.000 2.404 23 I HA 0.873 5.043 4.170 0.000 0.000 0.293 23 I C 0.199 176.109 176.117 -0.345 0.000 0.992 23 I CA -0.598 60.426 61.300 -0.460 0.000 1.149 23 I CB 1.859 39.431 38.000 -0.713 0.000 1.315 23 I HN 0.977 nan 8.210 nan 0.000 0.446 24 A N 3.714 126.439 122.820 -0.159 0.000 2.540 24 A HA 0.541 4.861 4.320 0.000 0.000 0.297 24 A C -0.832 176.734 177.584 -0.030 0.000 1.056 24 A CA -0.557 51.438 52.037 -0.069 0.000 0.700 24 A CB 0.986 19.951 19.000 -0.058 0.000 1.280 24 A HN 0.777 nan 8.150 nan 0.000 0.398 25 D N 1.301 121.702 120.400 0.001 0.000 2.723 25 D HA -0.164 4.477 4.640 0.000 0.000 0.236 25 D C 1.194 177.497 176.300 0.004 0.000 1.138 25 D CA 2.976 56.979 54.000 0.005 0.000 0.676 25 D CB -1.379 39.419 40.800 -0.004 0.000 1.069 25 D HN 2.268 nan 8.370 nan 0.000 0.430 26 G N -1.469 107.340 108.800 0.015 0.000 2.175 26 G HA2 -0.322 3.638 3.960 0.000 0.000 0.265 26 G HA3 -0.322 3.638 3.960 0.000 0.000 0.265 26 G C 0.341 175.240 174.900 -0.002 0.000 0.979 26 G CA 0.891 46.001 45.100 0.016 0.000 0.663 26 G HN 0.543 nan 8.290 nan 0.000 0.533 27 L N -0.012 121.198 121.223 -0.022 0.000 2.301 27 L HA 0.610 4.950 4.340 0.000 0.000 0.264 27 L C 0.459 177.295 176.870 -0.056 0.000 1.016 27 L CA -1.581 53.241 54.840 -0.031 0.000 0.821 27 L CB 1.391 43.435 42.059 -0.026 0.000 1.346 27 L HN -0.174 nan 8.230 nan 0.000 0.429 28 I N 1.814 122.353 120.570 -0.051 0.000 2.347 28 I HA 0.062 4.232 4.170 0.000 0.000 0.294 28 I C 1.032 177.113 176.117 -0.060 0.000 1.090 28 I CA 0.377 61.638 61.300 -0.065 0.000 1.314 28 I CB 0.789 38.759 38.000 -0.050 0.000 1.423 28 I HN 0.737 nan 8.210 nan 0.000 0.503 29 K N 4.667 125.022 120.400 -0.075 0.000 2.062 29 K HA -0.038 4.282 4.320 0.000 0.000 0.205 29 K C 0.516 177.089 176.600 -0.046 0.000 1.051 29 K CA 0.870 57.122 56.287 -0.058 0.000 0.941 29 K CB 0.436 32.897 32.500 -0.066 0.000 0.719 29 K HN 0.797 nan 8.250 nan 0.000 0.440 30 S N -1.787 113.884 115.700 -0.049 0.000 2.627 30 S HA 0.385 4.856 4.470 0.000 0.000 0.268 30 S C -1.368 173.217 174.600 -0.025 0.000 1.130 30 S CA -1.187 56.994 58.200 -0.031 0.000 0.819 30 S CB 1.906 65.092 63.200 -0.023 0.000 1.100 30 S HN -0.159 nan 8.310 nan 0.000 0.465 31 V N 1.196 121.108 119.914 -0.004 0.000 2.483 31 V HA 0.800 4.920 4.120 0.000 0.000 0.297 31 V C 0.073 176.209 176.094 0.069 0.000 1.027 31 V CA -0.186 62.127 62.300 0.022 0.000 0.855 31 V CB 0.467 32.291 31.823 0.002 0.000 0.995 31 V HN 1.649 nan 8.190 nan 0.000 0.424 32 C N 3.480 122.841 119.300 0.103 0.000 3.311 32 C HA 0.772 5.232 4.460 0.000 0.000 0.325 32 C C -3.239 171.756 174.990 0.008 0.000 1.352 32 C CA -2.252 56.822 59.018 0.093 0.000 1.308 32 C CB 1.855 29.604 27.740 0.015 0.000 1.619 32 C HN 0.589 nan 8.230 nan 0.000 0.469 33 P HA 0.094 nan 4.420 nan 0.000 0.268 33 P C 0.977 178.159 177.300 -0.196 0.000 1.204 33 P CA 0.321 63.131 63.100 -0.482 0.000 0.768 33 P CB 0.727 32.194 31.700 -0.388 0.000 0.842 34 V N 4.092 123.915 119.914 -0.152 0.000 2.439 34 V HA -0.311 3.809 4.120 0.000 0.000 0.253 34 V C 1.791 177.850 176.094 -0.058 0.000 1.074 34 V CA 2.761 65.022 62.300 -0.065 0.000 1.076 34 V CB -1.151 30.649 31.823 -0.038 0.000 0.664 34 V HN 0.666 nan 8.190 nan 0.000 0.461 35 A N -1.319 121.455 122.820 -0.077 0.000 2.235 35 A HA -0.013 4.307 4.320 0.000 0.000 0.208 35 A C 1.830 179.385 177.584 -0.048 0.000 1.172 35 A CA 1.104 53.108 52.037 -0.055 0.000 0.786 35 A CB -0.339 18.627 19.000 -0.056 0.000 0.804 35 A HN 0.743 nan 8.150 nan 0.000 0.479 36 E N -0.747 119.421 120.200 -0.053 0.000 2.526 36 E HA 0.228 4.578 4.350 0.000 0.000 0.208 36 E C -0.444 176.139 176.600 -0.028 0.000 0.997 36 E CA -0.394 55.983 56.400 -0.039 0.000 0.961 36 E CB 0.268 29.942 29.700 -0.044 0.000 1.030 36 E HN 0.516 nan 8.360 nan 0.000 0.483 37 L N 3.010 124.217 121.223 -0.027 0.000 2.490 37 L HA 0.101 4.441 4.340 0.000 0.000 0.274 37 L C -2.120 174.742 176.870 -0.013 0.000 1.201 37 L CA -1.587 53.242 54.840 -0.018 0.000 0.869 37 L CB -0.095 41.956 42.059 -0.013 0.000 1.123 37 L HN -0.230 nan 8.230 nan 0.000 0.484 38 P HA 0.079 nan 4.420 nan 0.000 0.267 38 P C -2.052 175.246 177.300 -0.003 0.000 1.205 38 P CA -0.950 62.145 63.100 -0.008 0.000 0.765 38 P CB 0.360 32.056 31.700 -0.007 0.000 0.828 39 P HA -0.194 nan 4.420 nan 0.000 0.222 39 P C 0.663 177.965 177.300 0.004 0.000 1.142 39 P CA 1.362 64.462 63.100 -0.001 0.000 0.788 39 P CB 0.093 31.792 31.700 -0.002 0.000 0.767 40 E N -0.309 119.894 120.200 0.005 0.000 2.170 40 E HA -0.012 4.338 4.350 0.000 0.000 0.191 40 E C 0.910 177.520 176.600 0.016 0.000 0.981 40 E CA 0.045 56.450 56.400 0.009 0.000 0.830 40 E CB -1.006 28.698 29.700 0.007 0.000 0.775 40 E HN 0.314 nan 8.360 nan 0.000 0.470 41 I N 0.492 121.072 120.570 0.017 0.000 2.815 41 I HA -0.037 4.133 4.170 0.000 0.000 0.291 41 I C 0.423 176.566 176.117 0.043 0.000 1.209 41 I CA -0.351 60.967 61.300 0.029 0.000 1.431 41 I CB 0.337 38.348 38.000 0.018 0.000 1.351 41 I HN -0.077 nan 8.210 nan 0.000 0.585 42 E N 5.317 125.558 120.200 0.069 0.000 2.360 42 E HA 0.086 4.436 4.350 0.000 0.000 0.269 42 E C -0.929 175.728 176.600 0.095 0.000 1.022 42 E CA -0.312 56.132 56.400 0.074 0.000 0.887 42 E CB 0.546 30.295 29.700 0.082 0.000 0.990 42 E HN 0.748 nan 8.360 nan 0.000 0.426 43 Q N 3.836 123.675 119.800 0.066 0.000 2.293 43 Q HA 0.381 4.721 4.340 0.000 0.000 0.261 43 Q C -0.724 175.315 176.000 0.064 0.000 0.960 43 Q CA -0.524 55.320 55.803 0.068 0.000 0.882 43 Q CB 1.921 30.682 28.738 0.039 0.000 1.275 43 Q HN 0.344 nan 8.270 nan 0.000 0.445 44 R N 1.256 121.809 120.500 0.089 0.000 2.360 44 R HA 0.309 4.649 4.340 0.000 0.000 0.318 44 R C -0.574 175.755 176.300 0.049 0.000 0.950 44 R CA -0.464 55.671 56.100 0.059 0.000 0.837 44 R CB 1.909 32.248 30.300 0.065 0.000 1.165 44 R HN 0.439 nan 8.270 nan 0.000 0.458 45 S N 2.860 118.575 115.700 0.024 0.000 2.531 45 S HA 0.132 4.602 4.470 0.000 0.000 0.279 45 S C 1.212 175.818 174.600 0.010 0.000 1.305 45 S CA -0.523 57.687 58.200 0.016 0.000 1.058 45 S CB 0.477 63.681 63.200 0.006 0.000 0.899 45 S HN 0.596 nan 8.310 nan 0.000 0.493 46 L N 4.209 125.436 121.223 0.006 0.000 2.554 46 L HA 0.187 4.527 4.340 0.000 0.000 0.226 46 L C 0.783 177.642 176.870 -0.020 0.000 1.137 46 L CA 0.162 54.998 54.840 -0.007 0.000 0.863 46 L CB -0.855 41.195 42.059 -0.015 0.000 0.985 46 L HN 0.817 nan 8.230 nan 0.000 0.451 47 N N 0.236 118.927 118.700 -0.014 0.000 2.727 47 N HA -0.238 4.502 4.740 0.000 0.000 0.249 47 N C 0.945 176.437 175.510 -0.031 0.000 1.048 47 N CA 0.186 53.225 53.050 -0.019 0.000 0.714 47 N CB -1.117 37.361 38.487 -0.015 0.000 0.959 47 N HN 0.568 nan 8.380 nan 0.000 0.544 48 G N -2.152 106.626 108.800 -0.037 0.000 2.162 48 G HA2 -0.215 3.745 3.960 0.000 0.000 0.260 48 G HA3 -0.215 3.745 3.960 0.000 0.000 0.260 48 G C 0.355 175.202 174.900 -0.089 0.000 0.976 48 G CA 0.546 45.612 45.100 -0.055 0.000 0.655 48 G HN 0.946 nan 8.290 nan 0.000 0.533 49 A N -0.579 122.184 122.820 -0.096 0.000 2.280 49 A HA 0.760 5.080 4.320 0.000 0.000 0.268 49 A C 0.503 177.946 177.584 -0.234 0.000 1.111 49 A CA -0.082 51.857 52.037 -0.164 0.000 0.814 49 A CB 0.450 19.372 19.000 -0.129 0.000 1.093 49 A HN 0.772 nan 8.150 nan 0.000 0.498 50 I N 0.771 121.064 120.570 -0.462 0.000 2.321 50 I HA 0.248 4.418 4.170 0.000 0.000 0.291 50 I C -0.264 175.586 176.117 -0.446 0.000 0.998 50 I CA -0.036 60.968 61.300 -0.494 0.000 1.227 50 I CB 1.094 38.614 38.000 -0.799 0.000 1.368 50 I HN 0.481 nan 8.210 nan 0.000 0.466 51 L N 6.298 127.440 121.223 -0.135 0.000 2.307 51 L HA 0.547 4.887 4.340 0.000 0.000 0.282 51 L C -0.085 176.831 176.870 0.078 0.000 1.051 51 L CA 0.187 55.005 54.840 -0.036 0.000 0.804 51 L CB 1.532 43.592 42.059 0.002 0.000 1.197 51 L HN 0.698 nan 8.230 nan 0.000 0.431 52 S N 5.350 121.120 115.700 0.116 0.000 2.579 52 S HA 0.660 5.130 4.470 0.000 0.000 0.272 52 S C -2.808 171.859 174.600 0.113 0.000 1.141 52 S CA -1.291 57.042 58.200 0.221 0.000 0.843 52 S CB 2.338 65.813 63.200 0.458 0.000 1.122 52 S HN 0.331 nan 8.310 nan 0.000 0.468 53 P HA 0.232 nan 4.420 nan 0.000 0.268 53 P C -0.091 177.232 177.300 0.038 0.000 1.208 53 P CA 0.104 63.235 63.100 0.051 0.000 0.777 53 P CB 0.133 31.860 31.700 0.046 0.000 0.875 54 G N 1.731 110.524 108.800 -0.011 0.000 2.432 54 G HA2 0.211 4.171 3.960 0.000 0.000 0.239 54 G HA3 0.211 4.171 3.960 0.000 0.000 0.239 54 G C -0.535 174.408 174.900 0.070 0.000 1.291 54 G CA -0.293 44.757 45.100 -0.085 0.000 0.863 54 G HN 0.219 nan 8.290 nan 0.000 0.560 55 F N 0.384 120.379 119.950 0.074 0.000 2.518 55 F HA 0.305 4.832 4.527 0.000 0.000 0.359 55 F C 0.978 176.813 175.800 0.060 0.000 1.118 55 F CA -0.816 57.219 58.000 0.059 0.000 1.287 55 F CB 0.510 39.537 39.000 0.045 0.000 1.132 55 F HN 0.149 nan 8.300 nan 0.000 0.587 56 I N 2.569 123.295 120.570 0.260 0.000 2.411 56 I HA 0.172 4.342 4.170 0.000 0.000 0.284 56 I C -0.738 175.462 176.117 0.139 0.000 1.012 56 I CA -0.651 60.748 61.300 0.165 0.000 1.119 56 I CB 1.490 39.556 38.000 0.110 0.000 1.261 56 I HN 0.353 nan 8.210 nan 0.000 0.448 57 D N 6.013 126.503 120.400 0.150 0.000 2.443 57 D HA 0.178 4.818 4.640 0.000 0.000 0.221 57 D C 0.894 177.269 176.300 0.125 0.000 1.097 57 D CA -0.410 53.669 54.000 0.131 0.000 0.865 57 D CB 1.688 42.565 40.800 0.129 0.000 1.034 57 D HN 0.374 nan 8.370 nan 0.000 0.511 58 V N 1.794 121.759 119.914 0.085 0.000 3.592 58 V HA 0.132 4.252 4.120 0.000 0.000 0.272 58 V C 0.445 176.593 176.094 0.091 0.000 1.228 58 V CA 0.286 62.593 62.300 0.012 0.000 1.173 58 V CB -0.962 30.788 31.823 -0.122 0.000 0.873 58 V HN 0.547 nan 8.190 nan 0.000 0.476 59 Q N 0.649 120.557 119.800 0.181 0.000 2.526 59 Q HA 0.599 4.939 4.340 0.000 0.000 0.238 59 Q C -1.964 174.142 176.000 0.176 0.000 0.866 59 Q CA -0.511 55.454 55.803 0.270 0.000 0.801 59 Q CB 1.830 30.750 28.738 0.302 0.000 1.380 59 Q HN 0.464 nan 8.270 nan 0.000 0.446 60 L N 3.970 125.289 121.223 0.160 0.000 2.516 60 L HA 0.534 4.874 4.340 0.000 0.000 0.267 60 L C -0.673 176.253 176.870 0.092 0.000 0.957 60 L CA -0.078 54.826 54.840 0.106 0.000 0.860 60 L CB 1.721 43.838 42.059 0.097 0.000 1.265 60 L HN 0.624 nan 8.230 nan 0.000 0.403 61 N N 2.972 121.707 118.700 0.059 0.000 2.368 61 N HA 0.302 5.042 4.740 0.000 0.000 0.176 61 N C 0.468 176.020 175.510 0.069 0.000 1.021 61 N CA 0.845 53.931 53.050 0.059 0.000 0.888 61 N CB 0.949 39.453 38.487 0.028 0.000 0.995 61 N HN 0.699 nan 8.380 nan 0.000 0.437 62 G N -0.227 108.592 108.800 0.032 0.000 2.506 62 G HA2 0.508 4.468 3.960 0.000 0.000 0.292 62 G HA3 0.508 4.468 3.960 0.000 0.000 0.292 62 G C -1.511 173.373 174.900 -0.026 0.000 1.425 62 G CA -0.292 44.816 45.100 0.014 0.000 0.788 62 G HN 0.365 nan 8.290 nan 0.000 0.490 63 C N -2.749 116.528 119.300 -0.038 0.000 2.948 63 C HA 0.728 5.188 4.460 0.000 0.000 0.328 63 C C 1.064 176.027 174.990 -0.045 0.000 1.289 63 C CA 0.080 59.067 59.018 -0.051 0.000 1.200 63 C CB 1.028 28.712 27.740 -0.093 0.000 1.341 63 C HN 2.974 nan 8.230 nan 0.000 0.462 64 G N 0.325 109.104 108.800 -0.036 0.000 2.323 64 G HA2 0.333 4.293 3.960 0.000 0.000 0.292 64 G HA3 0.333 4.293 3.960 0.000 0.000 0.292 64 G C 1.828 176.721 174.900 -0.011 0.000 1.040 64 G CA 1.614 46.699 45.100 -0.025 0.000 0.942 64 G HN 3.378 nan 8.290 nan 0.000 0.506 65 G N -3.243 105.554 108.800 -0.006 0.000 2.189 65 G HA2 0.031 3.991 3.960 0.000 0.000 0.267 65 G HA3 0.031 3.991 3.960 0.000 0.000 0.267 65 G C 1.005 175.908 174.900 0.006 0.000 0.975 65 G CA 1.688 46.789 45.100 0.001 0.000 0.644 65 G HN 2.388 nan 8.290 nan 0.000 0.537 66 V N -4.091 115.828 119.914 0.008 0.000 3.113 66 V HA 0.940 5.060 4.120 0.000 0.000 0.316 66 V C -0.471 175.641 176.094 0.030 0.000 1.125 66 V CA -1.135 61.178 62.300 0.021 0.000 1.026 66 V CB 2.075 33.919 31.823 0.035 0.000 1.080 66 V HN 0.301 nan 8.190 nan 0.000 0.444 67 Q N 0.928 120.755 119.800 0.044 0.000 2.359 67 Q HA 0.444 4.784 4.340 0.000 0.000 0.274 67 Q C -1.667 174.398 176.000 0.108 0.000 1.074 67 Q CA -0.378 55.462 55.803 0.062 0.000 0.810 67 Q CB 3.018 31.768 28.738 0.020 0.000 1.342 67 Q HN 0.901 nan 8.270 nan 0.000 0.427 68 F N 2.865 122.803 119.950 -0.020 0.000 2.752 68 F HA 0.293 4.820 4.527 0.000 0.000 0.332 68 F C -0.750 175.023 175.800 -0.045 0.000 1.188 68 F CA 0.055 58.041 58.000 -0.023 0.000 1.296 68 F CB -0.139 38.856 39.000 -0.009 0.000 1.526 68 F HN 0.490 nan 8.300 nan 0.000 0.576 69 N N 0.046 118.654 118.700 -0.155 0.000 3.020 69 N HA 0.358 5.099 4.740 0.000 0.000 0.248 69 N C -0.466 174.945 175.510 -0.165 0.000 1.480 69 N CA -0.419 52.522 53.050 -0.182 0.000 0.874 69 N CB 1.194 39.619 38.487 -0.104 0.000 1.433 69 N HN 0.061 nan 8.380 nan 0.000 0.530 70 D N -1.409 118.898 120.400 -0.155 0.000 4.428 70 D HA -0.240 4.400 4.640 0.000 0.000 0.207 70 D C -0.070 176.161 176.300 -0.115 0.000 0.964 70 D CA 2.509 56.441 54.000 -0.114 0.000 2.109 70 D CB -1.209 39.548 40.800 -0.071 0.000 1.140 70 D HN 0.695 nan 8.370 nan 0.000 0.408 71 T N -1.967 112.525 114.554 -0.104 0.000 2.899 71 T HA 0.664 5.015 4.350 0.000 0.000 0.284 71 T C 1.167 175.796 174.700 -0.119 0.000 1.004 71 T CA 0.027 62.074 62.100 -0.090 0.000 1.043 71 T CB 1.742 70.574 68.868 -0.060 0.000 1.013 71 T HN 0.479 nan 8.240 nan 0.000 0.518 72 A N 0.419 123.184 122.820 -0.091 0.000 2.066 72 A HA 0.014 4.334 4.320 0.000 0.000 0.218 72 A C 2.200 179.740 177.584 -0.074 0.000 1.157 72 A CA 0.986 52.968 52.037 -0.091 0.000 0.670 72 A CB -0.733 18.230 19.000 -0.061 0.000 0.804 72 A HN 0.933 nan 8.150 nan 0.000 0.453 73 E N 0.334 120.500 120.200 -0.057 0.000 2.170 73 E HA 0.013 4.363 4.350 0.000 0.000 0.191 73 E C 1.987 178.565 176.600 -0.036 0.000 0.981 73 E CA 0.991 57.371 56.400 -0.033 0.000 0.830 73 E CB -0.138 29.550 29.700 -0.019 0.000 0.775 73 E HN 0.456 nan 8.360 nan 0.000 0.470 74 A N 1.072 123.850 122.820 -0.069 0.000 1.930 74 A HA -0.019 4.301 4.320 0.000 0.000 0.215 74 A C 1.629 179.137 177.584 -0.128 0.000 1.176 74 A CA 0.764 52.760 52.037 -0.068 0.000 0.632 74 A CB -0.338 18.613 19.000 -0.081 0.000 0.819 74 A HN 0.122 nan 8.150 nan 0.000 0.445 75 V N 2.583 122.319 119.914 -0.297 0.000 2.242 75 V HA 0.436 4.556 4.120 0.000 0.000 0.242 75 V C -0.120 175.884 176.094 -0.150 0.000 1.240 75 V CA 0.487 62.421 62.300 -0.609 0.000 1.211 75 V CB -1.173 30.231 31.823 -0.698 0.000 1.338 75 V HN 0.648 nan 8.190 nan 0.000 0.499 76 S N 3.664 119.437 115.700 0.123 0.000 2.607 76 S HA 0.489 4.959 4.470 0.000 0.000 0.273 76 S C 0.690 175.464 174.600 0.291 0.000 1.148 76 S CA -0.192 58.122 58.200 0.189 0.000 0.833 76 S CB 1.407 64.672 63.200 0.109 0.000 1.130 76 S HN 1.162 nan 8.310 nan 0.000 0.470 77 V N -1.001 119.060 119.914 0.245 0.000 2.490 77 V HA -0.100 4.020 4.120 0.000 0.000 0.250 77 V C 2.185 178.441 176.094 0.269 0.000 1.061 77 V CA 2.219 64.696 62.300 0.295 0.000 1.064 77 V CB -1.308 30.687 31.823 0.288 0.000 0.670 77 V HN 1.039 nan 8.190 nan 0.000 0.461 78 E N 0.764 121.081 120.200 0.195 0.000 2.077 78 E HA -0.219 4.131 4.350 0.000 0.000 0.193 78 E C 2.215 178.898 176.600 0.139 0.000 0.989 78 E CA 2.017 58.509 56.400 0.153 0.000 0.800 78 E CB -0.309 29.457 29.700 0.110 0.000 0.746 78 E HN 0.685 nan 8.360 nan 0.000 0.452 79 T N 1.266 115.913 114.554 0.155 0.000 2.720 79 T HA -0.149 4.201 4.350 0.000 0.000 0.268 79 T C 1.674 176.447 174.700 0.122 0.000 1.037 79 T CA 0.905 63.096 62.100 0.151 0.000 1.144 79 T CB -0.143 68.864 68.868 0.231 0.000 0.864 79 T HN 0.071 nan 8.240 nan 0.000 0.444 80 L N 1.174 122.456 121.223 0.098 0.000 2.083 80 L HA -0.008 4.332 4.340 0.000 0.000 0.209 80 L C 2.354 179.265 176.870 0.069 0.000 1.083 80 L CA 1.585 56.389 54.840 -0.059 0.000 0.752 80 L CB -0.821 40.955 42.059 -0.472 0.000 0.899 80 L HN 0.362 nan 8.230 nan 0.000 0.433 81 E N -0.818 119.477 120.200 0.157 0.000 2.072 81 E HA -0.164 4.186 4.350 0.000 0.000 0.190 81 E C 2.334 178.962 176.600 0.047 0.000 0.982 81 E CA 0.972 57.442 56.400 0.116 0.000 0.803 81 E CB -0.082 29.678 29.700 0.100 0.000 0.755 81 E HN 0.436 nan 8.360 nan 0.000 0.453 82 I N 0.765 121.362 120.570 0.045 0.000 2.252 82 I HA -0.278 3.892 4.170 0.000 0.000 0.245 82 I C 2.467 178.564 176.117 -0.034 0.000 1.102 82 I CA 1.099 62.407 61.300 0.013 0.000 1.385 82 I CB -0.146 37.869 38.000 0.025 0.000 1.064 82 I HN 0.153 nan 8.210 nan 0.000 0.414 83 M N -0.236 119.327 119.600 -0.061 0.000 2.159 83 M HA -0.249 4.231 4.480 0.000 0.000 0.263 83 M C 2.374 178.488 176.300 -0.309 0.000 1.063 83 M CA 1.707 56.878 55.300 -0.215 0.000 1.110 83 M CB -0.345 32.074 32.600 -0.300 0.000 1.374 83 M HN 0.187 nan 8.290 nan 0.000 0.411 84 Q N 1.176 120.889 119.800 -0.145 0.000 2.050 84 Q HA -0.165 4.175 4.340 0.000 0.000 0.202 84 Q C 1.630 177.602 176.000 -0.047 0.000 0.980 84 Q CA 1.914 57.692 55.803 -0.041 0.000 0.840 84 Q CB -0.077 28.744 28.738 0.138 0.000 0.898 84 Q HN 0.385 nan 8.270 nan 0.000 0.424 85 K N -0.264 120.116 120.400 -0.033 0.000 2.097 85 K HA -0.034 4.286 4.320 0.000 0.000 0.206 85 K C 2.073 178.653 176.600 -0.034 0.000 1.049 85 K CA 1.079 57.353 56.287 -0.022 0.000 0.933 85 K CB -0.243 32.250 32.500 -0.011 0.000 0.717 85 K HN 0.308 nan 8.250 nan 0.000 0.442 86 A N 1.844 124.629 122.820 -0.059 0.000 1.930 86 A HA -0.147 4.173 4.320 0.000 0.000 0.217 86 A C 1.790 179.336 177.584 -0.063 0.000 1.175 86 A CA 1.369 53.372 52.037 -0.057 0.000 0.627 86 A CB -0.354 18.604 19.000 -0.070 0.000 0.815 86 A HN 0.199 nan 8.150 nan 0.000 0.443 87 N N 0.172 118.808 118.700 -0.108 0.000 2.142 87 N HA -0.133 4.607 4.740 0.000 0.000 0.186 87 N C 1.569 177.069 175.510 -0.017 0.000 1.023 87 N CA 1.479 54.479 53.050 -0.084 0.000 0.852 87 N CB -0.456 37.936 38.487 -0.157 0.000 0.998 87 N HN 0.647 nan 8.380 nan 0.000 0.424 88 E N 0.975 121.165 120.200 -0.017 0.000 2.171 88 E HA -0.177 4.173 4.350 0.000 0.000 0.197 88 E C 1.596 178.198 176.600 0.003 0.000 0.997 88 E CA 1.062 57.461 56.400 -0.003 0.000 0.810 88 E CB -0.047 29.653 29.700 0.000 0.000 0.738 88 E HN 0.425 nan 8.360 nan 0.000 0.467 89 K N 0.381 120.785 120.400 0.006 0.000 2.211 89 K HA -0.049 4.271 4.320 0.000 0.000 0.203 89 K C 1.685 178.309 176.600 0.039 0.000 1.050 89 K CA 1.267 57.565 56.287 0.018 0.000 0.945 89 K CB 0.121 32.629 32.500 0.014 0.000 0.732 89 K HN 0.051 nan 8.250 nan 0.000 0.451 90 S N -0.640 115.090 115.700 0.050 0.000 2.561 90 S HA 0.296 4.766 4.470 0.000 0.000 0.245 90 S C 1.041 175.737 174.600 0.160 0.000 1.001 90 S CA -0.122 58.136 58.200 0.097 0.000 1.002 90 S CB 0.621 63.871 63.200 0.084 0.000 0.805 90 S HN 0.402 nan 8.310 nan 0.000 0.458 91 G N 0.433 109.265 108.800 0.053 0.000 2.162 91 G HA2 -0.306 3.654 3.960 0.000 0.000 0.260 91 G HA3 -0.306 3.654 3.960 0.000 0.000 0.260 91 G C 0.248 175.049 174.900 -0.165 0.000 0.976 91 G CA -0.001 45.014 45.100 -0.141 0.000 0.655 91 G HN 0.912 nan 8.290 nan 0.000 0.533 92 C N 2.245 121.593 119.300 0.080 0.000 2.246 92 C HA 0.722 5.182 4.460 0.000 0.000 0.329 92 C C 2.017 177.051 174.990 0.073 0.000 1.221 92 C CA 0.778 59.882 59.018 0.143 0.000 1.697 92 C CB -0.083 27.755 27.740 0.163 0.000 2.312 92 C HN 0.757 nan 8.230 nan 0.000 0.509 93 T N 1.921 116.521 114.554 0.076 0.000 3.037 93 T HA 0.242 4.593 4.350 0.000 0.000 0.251 93 T C 0.233 175.014 174.700 0.136 0.000 1.079 93 T CA 0.150 62.297 62.100 0.078 0.000 1.067 93 T CB -0.248 68.644 68.868 0.040 0.000 0.948 93 T HN 0.731 nan 8.240 nan 0.000 0.496 94 N N 0.688 119.490 118.700 0.169 0.000 2.284 94 N HA 0.635 5.375 4.740 0.000 0.000 0.289 94 N C -1.732 173.939 175.510 0.268 0.000 1.179 94 N CA -0.980 52.179 53.050 0.183 0.000 0.774 94 N CB 2.036 40.580 38.487 0.094 0.000 1.548 94 N HN 0.453 nan 8.380 nan 0.000 0.473 95 Y N -1.390 118.903 120.300 -0.013 0.000 2.713 95 Y HA 0.574 5.124 4.550 0.000 0.000 0.335 95 Y C -2.410 173.448 175.900 -0.070 0.000 1.222 95 Y CA -1.281 56.801 58.100 -0.030 0.000 1.061 95 Y CB 1.027 39.466 38.460 -0.035 0.000 1.314 95 Y HN 0.329 nan 8.280 nan 0.000 0.453 96 L N 4.105 125.291 121.223 -0.062 0.000 2.318 96 L HA 0.499 4.839 4.340 0.000 0.000 0.277 96 L C -2.561 174.266 176.870 -0.071 0.000 1.008 96 L CA -2.052 52.680 54.840 -0.180 0.000 0.846 96 L CB 1.887 43.908 42.059 -0.063 0.000 1.220 96 L HN 0.405 nan 8.230 nan 0.000 0.423 97 P HA 0.033 nan 4.420 nan 0.000 0.267 97 P C -0.558 176.717 177.300 -0.041 0.000 1.205 97 P CA -0.000 62.997 63.100 -0.172 0.000 0.765 97 P CB 0.784 32.045 31.700 -0.733 0.000 0.828 98 T N 4.498 119.085 114.554 0.054 0.000 2.756 98 T HA 0.333 4.683 4.350 0.000 0.000 0.290 98 T C -0.075 174.645 174.700 0.033 0.000 0.985 98 T CA -0.352 61.723 62.100 -0.041 0.000 0.955 98 T CB 0.442 69.197 68.868 -0.188 0.000 0.930 98 T HN 0.206 nan 8.240 nan 0.000 0.451 99 L N 6.518 127.760 121.223 0.031 0.000 2.262 99 L HA 0.564 4.904 4.340 0.000 0.000 0.288 99 L C -0.035 176.778 176.870 -0.095 0.000 1.035 99 L CA -0.773 54.073 54.840 0.010 0.000 0.820 99 L CB 0.071 42.160 42.059 0.049 0.000 1.204 99 L HN 0.648 nan 8.230 nan 0.000 0.424 100 I N 1.187 121.680 120.570 -0.127 0.000 2.823 100 I HA 0.331 4.501 4.170 0.000 0.000 0.290 100 I C 0.759 176.790 176.117 -0.143 0.000 1.091 100 I CA -0.524 60.690 61.300 -0.145 0.000 1.365 100 I CB 0.924 38.720 38.000 -0.340 0.000 1.427 100 I HN 0.766 nan 8.210 nan 0.000 0.583 101 T N 2.703 117.235 114.554 -0.036 0.000 2.718 101 T HA 0.106 4.456 4.350 0.000 0.000 0.265 101 T C -0.018 174.580 174.700 -0.169 0.000 1.014 101 T CA 0.803 62.869 62.100 -0.056 0.000 1.172 101 T CB -0.376 68.554 68.868 0.103 0.000 1.007 101 T HN 1.048 nan 8.240 nan 0.000 0.500 102 T N 2.309 116.633 114.554 -0.383 0.000 2.626 102 T HA 0.606 4.956 4.350 0.000 0.000 0.299 102 T C -0.058 174.008 174.700 -1.056 0.000 1.181 102 T CA -0.117 61.444 62.100 -0.898 0.000 1.053 102 T CB 0.815 69.335 68.868 -0.579 0.000 1.566 102 T HN 1.141 nan 8.240 nan 0.000 0.486 103 S N 0.955 115.927 115.700 -1.214 0.000 2.589 103 S HA 0.209 4.679 4.470 0.000 0.000 0.265 103 S C 0.610 175.042 174.600 -0.279 0.000 1.342 103 S CA -0.162 57.702 58.200 -0.560 0.000 1.005 103 S CB 0.246 63.275 63.200 -0.286 0.000 0.909 103 S HN 0.676 nan 8.310 nan 0.000 0.555 104 D N 1.215 121.534 120.400 -0.135 0.000 2.117 104 D HA -0.081 4.559 4.640 0.000 0.000 0.197 104 D C 1.839 178.041 176.300 -0.162 0.000 0.987 104 D CA 1.578 55.506 54.000 -0.120 0.000 0.829 104 D CB -0.462 40.291 40.800 -0.079 0.000 0.961 104 D HN 0.714 nan 8.370 nan 0.000 0.460 105 E N 0.725 120.840 120.200 -0.142 0.000 2.049 105 E HA -0.121 4.229 4.350 0.000 0.000 0.198 105 E C 2.179 178.695 176.600 -0.140 0.000 1.007 105 E CA 0.333 56.652 56.400 -0.136 0.000 0.809 105 E CB -0.379 29.264 29.700 -0.095 0.000 0.749 105 E HN 0.214 nan 8.360 nan 0.000 0.450 106 L N -0.138 120.985 121.223 -0.167 0.000 2.141 106 L HA -0.140 4.200 4.340 0.000 0.000 0.209 106 L C 2.125 178.903 176.870 -0.152 0.000 1.094 106 L CA 1.123 55.856 54.840 -0.177 0.000 0.763 106 L CB -0.187 41.730 42.059 -0.238 0.000 0.908 106 L HN 0.325 nan 8.230 nan 0.000 0.437 107 M N -0.713 118.801 119.600 -0.143 0.000 2.132 107 M HA -0.246 4.234 4.480 0.000 0.000 0.263 107 M C 2.140 178.459 176.300 0.032 0.000 1.065 107 M CA 1.769 57.029 55.300 -0.067 0.000 1.122 107 M CB -0.242 32.317 32.600 -0.068 0.000 1.365 107 M HN 0.082 nan 8.290 nan 0.000 0.411 108 K N -0.025 120.349 120.400 -0.043 0.000 2.097 108 K HA -0.216 4.104 4.320 0.000 0.000 0.206 108 K C 2.045 178.692 176.600 0.078 0.000 1.049 108 K CA 1.343 57.627 56.287 -0.004 0.000 0.933 108 K CB -0.220 32.090 32.500 -0.317 0.000 0.717 108 K HN 0.410 nan 8.250 nan 0.000 0.442 109 Q N 0.512 120.311 119.800 -0.001 0.000 2.046 109 Q HA -0.129 4.211 4.340 0.000 0.000 0.200 109 Q C 2.113 178.142 176.000 0.048 0.000 0.975 109 Q CA 1.798 57.605 55.803 0.007 0.000 0.836 109 Q CB -0.278 28.428 28.738 -0.053 0.000 0.896 109 Q HN 0.333 nan 8.270 nan 0.000 0.428 110 G N 0.479 109.293 108.800 0.023 0.000 2.476 110 G HA2 -0.278 3.682 3.960 0.000 0.000 0.218 110 G HA3 -0.278 3.682 3.960 0.000 0.000 0.218 110 G C 1.447 176.474 174.900 0.210 0.000 1.164 110 G CA 1.182 46.355 45.100 0.121 0.000 0.768 110 G HN 0.310 nan 8.290 nan 0.000 0.560 111 V N 0.855 120.876 119.914 0.179 0.000 2.287 111 V HA -0.205 3.915 4.120 0.000 0.000 0.248 111 V C 2.806 178.983 176.094 0.139 0.000 1.053 111 V CA 2.358 64.752 62.300 0.157 0.000 1.027 111 V CB -0.515 31.432 31.823 0.207 0.000 0.646 111 V HN 0.490 nan 8.190 nan 0.000 0.447 112 R N -0.066 120.528 120.500 0.156 0.000 2.080 112 R HA -0.157 4.183 4.340 0.000 0.000 0.236 112 R C 2.212 178.586 176.300 0.124 0.000 1.137 112 R CA 2.080 58.256 56.100 0.126 0.000 0.943 112 R CB -0.506 29.860 30.300 0.110 0.000 0.846 112 R HN 0.350 nan 8.270 nan 0.000 0.431 113 V N 1.212 121.217 119.914 0.152 0.000 2.332 113 V HA -0.279 3.841 4.120 0.000 0.000 0.248 113 V C 2.437 178.649 176.094 0.197 0.000 1.055 113 V CA 2.048 64.462 62.300 0.191 0.000 1.038 113 V CB -0.462 31.515 31.823 0.257 0.000 0.651 113 V HN 0.436 nan 8.190 nan 0.000 0.450 114 M N -0.115 119.585 119.600 0.166 0.000 2.117 114 M HA -0.155 4.325 4.480 0.000 0.000 0.262 114 M C 2.203 178.573 176.300 0.118 0.000 1.065 114 M CA 1.847 57.198 55.300 0.084 0.000 1.114 114 M CB -0.561 32.051 32.600 0.020 0.000 1.361 114 M HN 0.146 nan 8.290 nan 0.000 0.408 115 R N -0.226 120.331 120.500 0.095 0.000 2.075 115 R HA -0.144 4.196 4.340 0.000 0.000 0.232 115 R C 1.914 178.262 176.300 0.080 0.000 1.126 115 R CA 1.954 58.096 56.100 0.070 0.000 0.963 115 R CB -0.242 30.087 30.300 0.047 0.000 0.858 115 R HN 0.540 nan 8.270 nan 0.000 0.435 116 E N -0.742 119.518 120.200 0.100 0.000 2.110 116 E HA -0.249 4.101 4.350 0.000 0.000 0.193 116 E C 1.716 178.376 176.600 0.100 0.000 0.988 116 E CA 1.321 57.771 56.400 0.084 0.000 0.804 116 E CB -0.260 29.497 29.700 0.095 0.000 0.745 116 E HN 0.428 nan 8.360 nan 0.000 0.458 117 Y N 1.315 121.643 120.300 0.047 0.000 2.200 117 Y HA -0.205 4.346 4.550 0.000 0.000 0.290 117 Y C 2.019 177.953 175.900 0.056 0.000 1.137 117 Y CA 0.967 59.116 58.100 0.081 0.000 1.163 117 Y CB -0.099 38.398 38.460 0.062 0.000 0.988 117 Y HN -0.038 nan 8.280 nan 0.000 0.518 118 L N 0.613 121.927 121.223 0.151 0.000 2.079 118 L HA -0.150 4.190 4.340 0.000 0.000 0.210 118 L C 2.573 179.405 176.870 -0.065 0.000 1.081 118 L CA 1.948 56.817 54.840 0.048 0.000 0.752 118 L CB -1.722 40.383 42.059 0.077 0.000 0.896 118 L HN 0.411 nan 8.230 nan 0.000 0.433 119 A N -1.661 121.122 122.820 -0.062 0.000 2.119 119 A HA -0.172 4.148 4.320 0.000 0.000 0.217 119 A C 2.401 179.892 177.584 -0.155 0.000 1.153 119 A CA 1.470 53.457 52.037 -0.082 0.000 0.692 119 A CB -0.287 18.682 19.000 -0.050 0.000 0.799 119 A HN 0.421 nan 8.150 nan 0.000 0.458 120 K N -1.494 118.748 120.400 -0.263 0.000 2.365 120 K HA 0.063 4.383 4.320 0.000 0.000 0.195 120 K C -0.480 175.706 176.600 -0.690 0.000 1.079 120 K CA 0.098 56.112 56.287 -0.456 0.000 0.979 120 K CB 0.310 32.497 32.500 -0.521 0.000 0.929 120 K HN 0.491 nan 8.250 nan 0.000 0.523 121 H N 1.892 120.717 119.070 -0.408 0.000 2.860 121 H HA 0.303 4.859 4.556 0.000 0.000 0.312 121 H C -2.595 172.583 175.328 -0.249 0.000 0.995 121 H CA -2.085 53.715 56.048 -0.412 0.000 1.311 121 H CB 1.754 31.039 29.762 -0.794 0.000 1.478 121 H HN 0.203 nan 8.280 nan 0.000 0.508 122 P HA 0.088 nan 4.420 nan 0.000 0.284 122 P C -0.136 177.187 177.300 0.038 0.000 1.258 122 P CA -0.537 62.564 63.100 0.002 0.000 0.824 122 P CB 1.329 33.021 31.700 -0.013 0.000 1.038 123 N N 0.121 118.844 118.700 0.038 0.000 2.714 123 N HA -0.182 4.558 4.740 0.000 0.000 0.252 123 N C 0.322 175.874 175.510 0.071 0.000 1.014 123 N CA 0.958 54.034 53.050 0.043 0.000 0.735 123 N CB -1.201 37.305 38.487 0.031 0.000 0.924 123 N HN 0.627 nan 8.380 nan 0.000 0.540 124 Q N -0.410 119.454 119.800 0.106 0.000 2.964 124 Q HA 0.563 4.903 4.340 0.000 0.000 0.209 124 Q C -0.178 175.879 176.000 0.095 0.000 1.114 124 Q CA -0.159 55.738 55.803 0.156 0.000 0.368 124 Q CB 0.167 29.040 28.738 0.224 0.000 5.277 124 Q HN 0.290 nan 8.270 nan 0.000 0.295 125 A N 1.609 124.469 122.820 0.067 0.000 2.484 125 A HA 0.176 4.496 4.320 0.000 0.000 0.268 125 A C 0.729 178.175 177.584 -0.229 0.000 1.114 125 A CA 0.193 51.906 52.037 -0.540 0.000 0.780 125 A CB -0.356 17.971 19.000 -1.121 0.000 1.061 125 A HN 0.532 nan 8.150 nan 0.000 0.505 126 L N 2.732 123.806 121.223 -0.250 0.000 2.131 126 L HA 0.229 4.569 4.340 0.000 0.000 0.206 126 L C 1.386 178.174 176.870 -0.137 0.000 1.087 126 L CA 1.077 55.839 54.840 -0.131 0.000 0.767 126 L CB -0.359 41.634 42.059 -0.109 0.000 0.917 126 L HN 0.845 nan 8.230 nan 0.000 0.441 127 G N -1.258 107.413 108.800 -0.214 0.000 2.368 127 G HA2 0.311 4.271 3.960 0.000 0.000 0.293 127 G HA3 0.311 4.271 3.960 0.000 0.000 0.293 127 G C -1.586 173.200 174.900 -0.190 0.000 1.467 127 G CA -0.866 44.134 45.100 -0.167 0.000 0.804 127 G HN -0.153 nan 8.290 nan 0.000 0.535 128 L N 1.161 122.309 121.223 -0.125 0.000 2.416 128 L HA 0.303 4.643 4.340 0.000 0.000 0.272 128 L C -0.058 176.818 176.870 0.009 0.000 1.161 128 L CA -0.593 54.207 54.840 -0.068 0.000 0.845 128 L CB 0.808 42.865 42.059 -0.004 0.000 1.119 128 L HN 0.668 nan 8.230 nan 0.000 0.464 129 H N 5.207 124.226 119.070 -0.086 0.000 2.718 129 H HA 0.354 4.910 4.556 0.000 0.000 0.295 129 H C -0.994 174.318 175.328 -0.027 0.000 1.051 129 H CA -0.789 55.218 56.048 -0.069 0.000 1.260 129 H CB 0.548 30.270 29.762 -0.067 0.000 1.403 129 H HN 0.397 nan 8.280 nan 0.000 0.488 130 L N 4.875 126.216 121.223 0.195 0.000 2.282 130 L HA 0.224 4.564 4.340 0.000 0.000 0.287 130 L C 0.693 177.559 176.870 -0.007 0.000 1.075 130 L CA -0.174 54.675 54.840 0.014 0.000 0.839 130 L CB 0.513 42.543 42.059 -0.048 0.000 1.219 130 L HN 0.575 nan 8.230 nan 0.000 0.434 131 E N 4.057 124.180 120.200 -0.128 0.000 1.963 131 E HA 0.491 4.841 4.350 0.000 0.000 0.274 131 E C 0.258 176.847 176.600 -0.018 0.000 1.061 131 E CA 0.017 56.388 56.400 -0.048 0.000 0.847 131 E CB 0.536 30.186 29.700 -0.082 0.000 1.083 131 E HN 0.758 nan 8.360 nan 0.000 0.402 132 G N 4.632 113.373 108.800 -0.098 0.000 2.434 132 G HA2 -0.158 3.802 3.960 0.000 0.000 0.671 132 G HA3 -0.158 3.802 3.960 0.000 0.000 0.671 132 G C -2.494 172.158 174.900 -0.413 0.000 1.280 132 G CA -0.349 44.652 45.100 -0.165 0.000 0.975 132 G HN 0.432 nan 8.290 nan 0.000 0.510 133 P HA 0.186 nan 4.420 nan 0.000 0.261 133 P C 0.091 177.372 177.300 -0.031 0.000 1.268 133 P CA 0.246 63.221 63.100 -0.208 0.000 0.833 133 P CB 0.152 31.781 31.700 -0.118 0.000 1.231 134 W N 1.858 123.184 121.300 0.044 0.000 1.395 134 W HA 0.300 4.960 4.660 0.000 0.000 0.451 134 W C 0.343 176.878 176.519 0.027 0.000 0.619 134 W CA -0.453 56.914 57.345 0.037 0.000 2.212 134 W CB -1.288 28.195 29.460 0.039 0.000 1.537 134 W HN -0.074 nan 8.180 nan 0.000 0.275 135 L N 1.241 122.565 121.223 0.168 0.000 2.347 135 L HA 0.475 4.815 4.340 0.000 0.000 0.268 135 L C 0.655 177.581 176.870 0.093 0.000 1.019 135 L CA -1.036 53.861 54.840 0.095 0.000 0.806 135 L CB 0.768 42.811 42.059 -0.027 0.000 1.339 135 L HN -0.107 nan 8.230 nan 0.000 0.463 136 N N 0.454 119.202 118.700 0.079 0.000 2.419 136 N HA 0.267 5.007 4.740 0.000 0.000 0.277 136 N C 0.613 176.159 175.510 0.060 0.000 1.006 136 N CA -0.225 52.863 53.050 0.064 0.000 0.923 136 N CB 1.753 40.271 38.487 0.051 0.000 1.140 136 N HN 0.578 nan 8.380 nan 0.000 0.488 137 L N 2.967 124.221 121.223 0.051 0.000 2.129 137 L HA -0.174 4.166 4.340 0.000 0.000 0.212 137 L C 2.054 178.952 176.870 0.047 0.000 1.087 137 L CA 0.871 55.741 54.840 0.049 0.000 0.757 137 L CB -0.137 41.945 42.059 0.039 0.000 0.896 137 L HN 0.412 nan 8.230 nan 0.000 0.434 138 V N -0.789 119.144 119.914 0.032 0.000 2.594 138 V HA -0.209 3.911 4.120 0.000 0.000 0.253 138 V C 1.517 177.629 176.094 0.029 0.000 1.069 138 V CA 1.505 63.815 62.300 0.015 0.000 1.082 138 V CB -0.384 31.433 31.823 -0.009 0.000 0.680 138 V HN 0.370 nan 8.190 nan 0.000 0.469 139 K N 0.123 120.560 120.400 0.062 0.000 2.934 139 K HA 0.188 4.508 4.320 0.000 0.000 0.210 139 K C 1.217 177.962 176.600 0.242 0.000 1.122 139 K CA -0.112 56.238 56.287 0.106 0.000 1.033 139 K CB 0.513 33.054 32.500 0.068 0.000 0.779 139 K HN 0.597 nan 8.250 nan 0.000 0.459 140 K N -0.065 120.440 120.400 0.175 0.000 2.504 140 K HA -0.004 4.316 4.320 0.000 0.000 0.195 140 K C 1.127 177.877 176.600 0.251 0.000 1.036 140 K CA 0.838 57.208 56.287 0.138 0.000 0.984 140 K CB -0.113 32.446 32.500 0.097 0.000 0.788 140 K HN 0.133 nan 8.250 nan 0.000 0.488 141 G N 1.325 110.307 108.800 0.303 0.000 2.651 141 G HA2 -0.446 3.514 3.960 0.000 0.000 0.315 141 G HA3 -0.446 3.514 3.960 0.000 0.000 0.315 141 G C 0.765 175.812 174.900 0.245 0.000 1.258 141 G CA 1.097 46.386 45.100 0.315 0.000 1.002 141 G HN 0.325 nan 8.290 nan 0.000 0.551 142 T N 1.414 116.130 114.554 0.270 0.000 3.169 142 T HA 0.218 4.568 4.350 0.000 0.000 0.250 142 T C 0.910 175.664 174.700 0.089 0.000 1.111 142 T CA 0.670 62.853 62.100 0.138 0.000 1.010 142 T CB -0.521 68.395 68.868 0.080 0.000 0.984 142 T HN 0.500 nan 8.240 nan 0.000 0.537 143 H N 2.516 121.587 119.070 0.002 0.000 2.764 143 H HA 0.099 4.655 4.556 0.000 0.000 0.341 143 H C 0.474 175.815 175.328 0.021 0.000 1.072 143 H CA -0.423 55.610 56.048 -0.025 0.000 1.444 143 H CB 0.528 30.223 29.762 -0.112 0.000 1.458 143 H HN 0.167 nan 8.280 nan 0.000 0.572 144 N N 5.214 123.992 118.700 0.131 0.000 2.429 144 N HA -0.041 4.699 4.740 0.000 0.000 0.271 144 N C -1.518 174.056 175.510 0.106 0.000 1.272 144 N CA -1.335 51.783 53.050 0.113 0.000 0.921 144 N CB 0.819 39.411 38.487 0.176 0.000 1.128 144 N HN 0.444 nan 8.380 nan 0.000 0.481 145 P HA -0.130 nan 4.420 nan 0.000 0.219 145 P C 0.422 177.722 177.300 -0.000 0.000 1.146 145 P CA 1.041 64.164 63.100 0.040 0.000 0.808 145 P CB 0.446 32.159 31.700 0.022 0.000 0.779 146 N N -0.927 117.723 118.700 -0.082 0.000 2.396 146 N HA -0.053 4.687 4.740 0.000 0.000 0.180 146 N C 1.230 176.588 175.510 -0.253 0.000 1.028 146 N CA 0.908 53.829 53.050 -0.215 0.000 0.893 146 N CB -0.554 37.707 38.487 -0.377 0.000 0.967 146 N HN 0.224 nan 8.380 nan 0.000 0.440 147 F N 0.426 120.387 119.950 0.018 0.000 2.717 147 F HA 0.215 4.742 4.527 0.000 0.000 0.295 147 F C 0.791 176.612 175.800 0.035 0.000 1.117 147 F CA -0.444 57.566 58.000 0.018 0.000 1.361 147 F CB -0.120 38.878 39.000 -0.002 0.000 1.112 147 F HN -0.328 nan 8.300 nan 0.000 0.594 148 V N 3.971 124.004 119.914 0.199 0.000 2.540 148 V HA 0.133 4.253 4.120 0.000 0.000 0.297 148 V C 0.281 176.468 176.094 0.155 0.000 1.024 148 V CA 0.307 62.697 62.300 0.151 0.000 1.105 148 V CB -0.284 31.602 31.823 0.106 0.000 0.938 148 V HN 0.345 nan 8.190 nan 0.000 0.482 149 R N 3.831 124.453 120.500 0.203 0.000 2.762 149 R HA 0.624 4.964 4.340 0.000 0.000 0.271 149 R C -1.344 175.129 176.300 0.289 0.000 1.038 149 R CA -1.291 54.936 56.100 0.212 0.000 0.906 149 R CB 1.631 32.057 30.300 0.211 0.000 1.259 149 R HN 0.395 nan 8.270 nan 0.000 0.457 150 K N 1.138 121.646 120.400 0.180 0.000 2.098 150 K HA 0.389 4.709 4.320 0.000 0.000 0.257 150 K C -2.195 174.402 176.600 -0.006 0.000 0.999 150 K CA -1.747 54.581 56.287 0.067 0.000 0.924 150 K CB 0.776 33.275 32.500 -0.002 0.000 1.028 150 K HN 0.417 nan 8.250 nan 0.000 0.466 151 P HA 0.076 nan 4.420 nan 0.000 0.279 151 P C -1.521 175.638 177.300 -0.234 0.000 1.239 151 P CA -0.374 62.333 63.100 -0.654 0.000 0.789 151 P CB 0.802 31.585 31.700 -1.529 0.000 0.933 152 D N 0.495 120.864 120.400 -0.051 0.000 2.481 152 D HA 0.456 5.096 4.640 0.000 0.000 0.244 152 D C 1.265 177.567 176.300 0.004 0.000 1.057 152 D CA -1.061 52.930 54.000 -0.014 0.000 0.848 152 D CB 1.255 42.080 40.800 0.041 0.000 1.388 152 D HN 0.205 nan 8.370 nan 0.000 0.475 153 A N 2.372 125.187 122.820 -0.010 0.000 1.954 153 A HA -0.212 4.108 4.320 0.000 0.000 0.222 153 A C 2.193 179.811 177.584 0.056 0.000 1.199 153 A CA 2.777 54.819 52.037 0.009 0.000 0.657 153 A CB -1.393 17.610 19.000 0.006 0.000 0.823 153 A HN 0.823 nan 8.150 nan 0.000 0.463 154 A N -0.753 122.107 122.820 0.066 0.000 1.865 154 A HA -0.094 4.226 4.320 0.000 0.000 0.217 154 A C 2.279 179.955 177.584 0.153 0.000 1.191 154 A CA 1.622 53.713 52.037 0.091 0.000 0.623 154 A CB -0.660 18.377 19.000 0.062 0.000 0.826 154 A HN 0.610 nan 8.150 nan 0.000 0.444 155 L N -0.253 121.077 121.223 0.179 0.000 2.017 155 L HA -0.147 4.193 4.340 0.000 0.000 0.208 155 L C 2.514 179.596 176.870 0.354 0.000 1.073 155 L CA 1.497 56.507 54.840 0.284 0.000 0.745 155 L CB -0.305 41.972 42.059 0.364 0.000 0.894 155 L HN 0.267 nan 8.230 nan 0.000 0.432 156 V N 0.313 120.391 119.914 0.273 0.000 2.252 156 V HA -0.367 3.753 4.120 0.000 0.000 0.249 156 V C 2.202 178.406 176.094 0.183 0.000 1.056 156 V CA 2.296 64.728 62.300 0.220 0.000 1.022 156 V CB -0.693 31.150 31.823 0.034 0.000 0.641 156 V HN 0.529 nan 8.190 nan 0.000 0.445 157 D N -0.775 119.714 120.400 0.147 0.000 2.144 157 D HA -0.183 4.457 4.640 0.000 0.000 0.199 157 D C 1.921 178.310 176.300 0.148 0.000 0.984 157 D CA 1.352 55.424 54.000 0.120 0.000 0.834 157 D CB -0.307 40.553 40.800 0.101 0.000 0.955 157 D HN 0.479 nan 8.370 nan 0.000 0.465 158 F N 1.779 121.771 119.950 0.070 0.000 2.095 158 F HA -0.155 4.372 4.527 0.000 0.000 0.298 158 F C 2.178 178.015 175.800 0.062 0.000 1.104 158 F CA 1.144 59.180 58.000 0.059 0.000 1.232 158 F CB -0.379 38.657 39.000 0.059 0.000 0.987 158 F HN -0.135 nan 8.300 nan 0.000 0.475 159 L N -0.851 120.413 121.223 0.070 0.000 2.017 159 L HA -0.296 4.044 4.340 0.000 0.000 0.208 159 L C 2.676 179.500 176.870 -0.077 0.000 1.073 159 L CA 1.472 56.292 54.840 -0.033 0.000 0.745 159 L CB -1.342 40.805 42.059 0.146 0.000 0.894 159 L HN 0.251 nan 8.230 nan 0.000 0.432 160 C N 0.141 119.440 119.300 -0.003 0.000 2.413 160 C HA -0.150 4.311 4.460 0.000 0.000 0.277 160 C C 2.640 177.593 174.990 -0.061 0.000 1.265 160 C CA 0.736 59.747 59.018 -0.012 0.000 1.752 160 C CB -0.829 26.923 27.740 0.020 0.000 1.998 160 C HN 0.513 nan 8.230 nan 0.000 0.489 161 E N 0.470 120.614 120.200 -0.094 0.000 2.204 161 E HA -0.109 4.241 4.350 0.000 0.000 0.195 161 E C 0.983 177.477 176.600 -0.178 0.000 0.990 161 E CA 0.728 57.060 56.400 -0.114 0.000 0.821 161 E CB -0.127 29.514 29.700 -0.099 0.000 0.750 161 E HN 0.667 nan 8.360 nan 0.000 0.477 162 N N -0.074 118.459 118.700 -0.279 0.000 2.321 162 N HA 0.163 4.903 4.740 0.000 0.000 0.242 162 N C 0.743 176.156 175.510 -0.163 0.000 1.141 162 N CA 0.144 53.031 53.050 -0.271 0.000 0.864 162 N CB 1.054 39.250 38.487 -0.485 0.000 1.100 162 N HN 0.039 nan 8.380 nan 0.000 0.510 163 A N 1.743 124.497 122.820 -0.111 0.000 1.948 163 A HA -0.231 4.089 4.320 0.000 0.000 0.220 163 A C 1.898 179.444 177.584 -0.063 0.000 1.177 163 A CA 1.869 53.865 52.037 -0.070 0.000 0.636 163 A CB -0.312 18.661 19.000 -0.045 0.000 0.815 163 A HN 0.389 nan 8.150 nan 0.000 0.449 164 D N 0.102 120.464 120.400 -0.063 0.000 2.309 164 D HA -0.119 4.521 4.640 0.000 0.000 0.212 164 D C 1.296 177.567 176.300 -0.049 0.000 0.968 164 D CA 1.765 55.735 54.000 -0.050 0.000 0.882 164 D CB -0.707 40.067 40.800 -0.043 0.000 0.918 164 D HN 0.712 nan 8.370 nan 0.000 0.503 165 V N -2.849 117.031 119.914 -0.057 0.000 3.380 165 V HA 0.397 4.517 4.120 0.000 0.000 0.307 165 V C 0.550 176.612 176.094 -0.054 0.000 1.434 165 V CA -0.664 61.609 62.300 -0.046 0.000 1.075 165 V CB -0.406 31.401 31.823 -0.028 0.000 0.954 165 V HN -0.017 nan 8.190 nan 0.000 0.444 166 I N 1.417 121.951 120.570 -0.060 0.000 2.390 166 I HA 0.341 4.511 4.170 0.000 0.000 0.283 166 I C 1.274 177.353 176.117 -0.064 0.000 1.016 166 I CA -0.110 61.158 61.300 -0.052 0.000 1.151 166 I CB 1.789 39.763 38.000 -0.044 0.000 1.293 166 I HN -0.013 nan 8.210 nan 0.000 0.458 167 T N 3.933 118.436 114.554 -0.084 0.000 2.851 167 T HA -0.028 4.322 4.350 0.000 0.000 0.262 167 T C 0.739 175.354 174.700 -0.141 0.000 1.043 167 T CA 1.105 63.135 62.100 -0.116 0.000 1.140 167 T CB 0.117 68.896 68.868 -0.149 0.000 0.872 167 T HN 0.471 nan 8.240 nan 0.000 0.446 168 K N 0.339 120.653 120.400 -0.144 0.000 2.532 168 K HA 0.577 4.897 4.320 0.000 0.000 0.265 168 K C -2.194 174.373 176.600 -0.056 0.000 0.948 168 K CA -0.738 55.439 56.287 -0.183 0.000 0.842 168 K CB 2.808 35.038 32.500 -0.450 0.000 1.392 168 K HN -0.046 nan 8.250 nan 0.000 0.436 169 V N 2.109 122.013 119.914 -0.017 0.000 2.623 169 V HA 0.481 4.601 4.120 0.000 0.000 0.304 169 V C -1.382 174.771 176.094 0.099 0.000 1.054 169 V CA -0.124 62.213 62.300 0.061 0.000 0.882 169 V CB 1.882 33.742 31.823 0.062 0.000 1.002 169 V HN 0.846 nan 8.190 nan 0.000 0.424 170 T N 8.678 123.325 114.554 0.156 0.000 2.767 170 T HA 0.738 5.088 4.350 0.000 0.000 0.288 170 T C -0.535 174.246 174.700 0.135 0.000 0.963 170 T CA -0.130 62.076 62.100 0.175 0.000 1.019 170 T CB 0.835 69.857 68.868 0.257 0.000 0.923 170 T HN 0.977 nan 8.240 nan 0.000 0.468 171 L N 0.609 121.936 121.223 0.173 0.000 2.479 171 L HA 0.983 5.323 4.340 0.000 0.000 0.255 171 L C -0.587 176.387 176.870 0.173 0.000 1.026 171 L CA -1.637 53.333 54.840 0.215 0.000 0.842 171 L CB 1.101 43.387 42.059 0.379 0.000 1.444 171 L HN 0.508 nan 8.230 nan 0.000 0.409 172 A N 1.747 124.667 122.820 0.167 0.000 2.316 172 A HA 0.658 4.978 4.320 0.000 0.000 0.311 172 A C -1.541 176.091 177.584 0.080 0.000 1.339 172 A CA -1.236 50.866 52.037 0.109 0.000 0.960 172 A CB -0.369 18.691 19.000 0.100 0.000 1.152 172 A HN 0.758 nan 8.150 nan 0.000 0.547 173 P HA -0.275 nan 4.420 nan 0.000 0.216 173 P C 1.015 178.305 177.300 -0.017 0.000 1.154 173 P CA 1.740 64.838 63.100 -0.002 0.000 0.865 173 P CB 0.177 31.835 31.700 -0.071 0.000 0.789 174 E N -0.772 119.416 120.200 -0.020 0.000 2.516 174 E HA -0.092 4.258 4.350 0.000 0.000 0.199 174 E C 1.325 177.921 176.600 -0.007 0.000 1.069 174 E CA 0.755 57.142 56.400 -0.022 0.000 0.876 174 E CB -0.568 29.118 29.700 -0.024 0.000 0.843 174 E HN 0.244 nan 8.360 nan 0.000 0.530 175 M N 1.016 120.624 119.600 0.013 0.000 2.333 175 M HA 0.185 4.665 4.480 0.000 0.000 0.257 175 M C 0.639 176.932 176.300 -0.012 0.000 1.078 175 M CA -0.091 55.222 55.300 0.021 0.000 1.005 175 M CB 0.717 33.359 32.600 0.069 0.000 1.444 175 M HN 0.057 nan 8.290 nan 0.000 0.496 176 V N -1.768 118.126 119.914 -0.034 0.000 2.962 176 V HA 0.760 4.880 4.120 0.000 0.000 0.313 176 V C -2.957 173.081 176.094 -0.093 0.000 1.099 176 V CA -2.164 60.071 62.300 -0.108 0.000 0.971 176 V CB 1.747 33.478 31.823 -0.152 0.000 1.028 176 V HN -0.047 nan 8.190 nan 0.000 0.430 177 P HA 0.405 nan 4.420 nan 0.000 0.272 177 P C 0.759 178.018 177.300 -0.069 0.000 1.223 177 P CA 0.327 63.376 63.100 -0.084 0.000 0.784 177 P CB 1.127 32.771 31.700 -0.092 0.000 0.923 178 A N 2.077 124.870 122.820 -0.046 0.000 1.972 178 A HA -0.212 4.108 4.320 0.000 0.000 0.219 178 A C 1.818 179.386 177.584 -0.026 0.000 1.169 178 A CA 1.630 53.650 52.037 -0.029 0.000 0.635 178 A CB -0.991 17.997 19.000 -0.021 0.000 0.810 178 A HN 0.554 nan 8.150 nan 0.000 0.446 179 E N -0.449 119.729 120.200 -0.036 0.000 2.204 179 E HA -0.086 4.264 4.350 0.000 0.000 0.195 179 E C 1.885 178.459 176.600 -0.042 0.000 0.990 179 E CA 1.042 57.422 56.400 -0.033 0.000 0.821 179 E CB -0.361 29.317 29.700 -0.036 0.000 0.750 179 E HN 0.375 nan 8.360 nan 0.000 0.477 180 V N 0.518 120.387 119.914 -0.076 0.000 2.379 180 V HA -0.206 3.914 4.120 0.000 0.000 0.245 180 V C 2.083 178.157 176.094 -0.032 0.000 1.044 180 V CA 1.345 63.583 62.300 -0.104 0.000 1.036 180 V CB -0.333 31.342 31.823 -0.247 0.000 0.664 180 V HN 0.261 nan 8.190 nan 0.000 0.453 181 I N 0.032 120.596 120.570 -0.010 0.000 2.127 181 I HA -0.252 3.918 4.170 0.000 0.000 0.241 181 I C 2.572 178.715 176.117 0.044 0.000 1.075 181 I CA 1.824 63.149 61.300 0.042 0.000 1.334 181 I CB -0.430 37.596 38.000 0.042 0.000 1.040 181 I HN 0.255 nan 8.210 nan 0.000 0.405 182 S N 0.326 116.042 115.700 0.026 0.000 2.382 182 S HA -0.179 4.291 4.470 0.000 0.000 0.228 182 S C 1.928 176.542 174.600 0.025 0.000 1.027 182 S CA 1.211 59.427 58.200 0.027 0.000 0.991 182 S CB -0.180 63.030 63.200 0.016 0.000 0.823 182 S HN 0.351 nan 8.310 nan 0.000 0.469 183 K N 0.723 121.134 120.400 0.018 0.000 2.002 183 K HA -0.024 4.296 4.320 0.000 0.000 0.209 183 K C 1.927 178.548 176.600 0.036 0.000 1.048 183 K CA 0.966 57.266 56.287 0.020 0.000 0.930 183 K CB -0.267 32.240 32.500 0.011 0.000 0.714 183 K HN 0.177 nan 8.250 nan 0.000 0.438 184 L N 0.771 122.028 121.223 0.057 0.000 1.989 184 L HA -0.178 4.162 4.340 0.000 0.000 0.211 184 L C 2.538 179.438 176.870 0.050 0.000 1.071 184 L CA 1.992 56.876 54.840 0.073 0.000 0.749 184 L CB -1.654 40.477 42.059 0.121 0.000 0.890 184 L HN 0.206 nan 8.230 nan 0.000 0.431 185 A N 0.080 122.931 122.820 0.052 0.000 1.908 185 A HA -0.228 4.092 4.320 0.000 0.000 0.218 185 A C 2.039 179.640 177.584 0.028 0.000 1.181 185 A CA 1.874 53.937 52.037 0.043 0.000 0.627 185 A CB -0.617 18.415 19.000 0.053 0.000 0.818 185 A HN 0.494 nan 8.150 nan 0.000 0.445 186 N N 0.314 119.029 118.700 0.026 0.000 2.381 186 N HA -0.051 4.689 4.740 0.000 0.000 0.182 186 N C 1.543 177.060 175.510 0.011 0.000 1.025 186 N CA 1.247 54.307 53.050 0.017 0.000 0.888 186 N CB -0.451 38.046 38.487 0.016 0.000 0.965 186 N HN 0.500 nan 8.380 nan 0.000 0.438 187 A N -0.178 122.649 122.820 0.012 0.000 2.206 187 A HA 0.365 4.685 4.320 0.000 0.000 0.211 187 A C 1.553 179.134 177.584 -0.005 0.000 1.158 187 A CA 0.978 53.017 52.037 0.002 0.000 0.761 187 A CB -0.249 18.753 19.000 0.004 0.000 0.801 187 A HN 0.324 nan 8.150 nan 0.000 0.473 188 G N -1.231 107.569 108.800 -0.001 0.000 2.176 188 G HA2 -0.179 3.781 3.960 0.000 0.000 0.232 188 G HA3 -0.179 3.781 3.960 0.000 0.000 0.232 188 G C 0.090 174.981 174.900 -0.016 0.000 0.986 188 G CA 0.059 45.153 45.100 -0.009 0.000 0.643 188 G HN 0.421 nan 8.290 nan 0.000 0.522 189 I N 1.283 121.849 120.570 -0.006 0.000 2.472 189 I HA 0.353 4.523 4.170 0.000 0.000 0.290 189 I C 0.869 176.980 176.117 -0.010 0.000 1.016 189 I CA -0.915 60.377 61.300 -0.013 0.000 1.348 189 I CB 1.634 39.639 38.000 0.008 0.000 1.417 189 I HN -0.146 nan 8.210 nan 0.000 0.521 190 V N 7.238 127.124 119.914 -0.047 0.000 2.427 190 V HA 0.084 4.204 4.120 0.000 0.000 0.268 190 V C 0.260 176.345 176.094 -0.015 0.000 1.046 190 V CA -0.372 61.900 62.300 -0.047 0.000 0.970 190 V CB 1.016 32.752 31.823 -0.145 0.000 1.001 190 V HN 0.373 nan 8.190 nan 0.000 0.476 191 V N 4.852 124.801 119.914 0.057 0.000 2.432 191 V HA 0.454 4.574 4.120 0.000 0.000 0.275 191 V C 0.364 176.546 176.094 0.147 0.000 1.043 191 V CA 0.015 62.376 62.300 0.102 0.000 0.925 191 V CB 1.516 33.415 31.823 0.126 0.000 0.985 191 V HN 0.849 nan 8.190 nan 0.000 0.466 192 S N 3.694 119.485 115.700 0.151 0.000 2.500 192 S HA 0.790 5.260 4.470 0.000 0.000 0.301 192 S C -0.177 174.544 174.600 0.202 0.000 1.092 192 S CA -0.313 58.026 58.200 0.230 0.000 1.030 192 S CB 1.520 64.865 63.200 0.242 0.000 1.031 192 S HN 1.136 nan 8.310 nan 0.000 0.483 193 A N 3.071 126.016 122.820 0.207 0.000 2.320 193 A HA 0.788 5.108 4.320 0.000 0.000 0.287 193 A C 0.587 178.238 177.584 0.111 0.000 1.181 193 A CA 0.089 52.214 52.037 0.146 0.000 0.831 193 A CB -0.105 18.975 19.000 0.134 0.000 1.102 193 A HN 1.338 nan 8.150 nan 0.000 0.513 194 G N 0.352 109.210 108.800 0.097 0.000 2.601 194 G HA2 0.483 4.443 3.960 0.000 0.000 0.291 194 G HA3 0.483 4.443 3.960 0.000 0.000 0.291 194 G C -0.458 174.520 174.900 0.130 0.000 1.456 194 G CA -0.565 44.572 45.100 0.061 0.000 0.804 194 G HN 0.983 nan 8.290 nan 0.000 0.499 195 H N -1.436 117.678 119.070 0.073 0.000 2.557 195 H HA -0.162 4.394 4.556 0.000 0.000 0.319 195 H C 0.450 175.792 175.328 0.023 0.000 1.102 195 H CA 1.552 57.623 56.048 0.039 0.000 1.126 195 H CB -0.962 28.746 29.762 -0.091 0.000 1.498 195 H HN 0.634 nan 8.280 nan 0.000 0.411 196 S N -0.227 115.520 115.700 0.078 0.000 2.536 196 S HA 0.329 4.799 4.470 0.000 0.000 0.298 196 S C 0.696 175.310 174.600 0.023 0.000 1.083 196 S CA -0.717 57.514 58.200 0.053 0.000 0.995 196 S CB 1.721 64.946 63.200 0.042 0.000 1.058 196 S HN 0.592 nan 8.310 nan 0.000 0.488 197 N N 2.077 120.782 118.700 0.009 0.000 2.282 197 N HA 0.261 5.001 4.740 0.000 0.000 0.240 197 N C 0.170 175.669 175.510 -0.018 0.000 1.182 197 N CA -0.385 52.657 53.050 -0.014 0.000 0.874 197 N CB 0.281 38.755 38.487 -0.022 0.000 1.126 197 N HN 0.726 nan 8.380 nan 0.000 0.516 198 A N 1.055 123.864 122.820 -0.018 0.000 2.531 198 A HA 0.139 4.459 4.320 0.000 0.000 0.236 198 A C 0.944 178.506 177.584 -0.036 0.000 1.062 198 A CA 0.126 52.141 52.037 -0.036 0.000 0.760 198 A CB 0.068 19.031 19.000 -0.061 0.000 0.995 198 A HN 0.438 nan 8.150 nan 0.000 0.501 199 T N 0.737 115.267 114.554 -0.040 0.000 2.754 199 T HA 0.315 4.665 4.350 0.000 0.000 0.286 199 T C 1.268 175.943 174.700 -0.042 0.000 0.997 199 T CA 0.077 62.159 62.100 -0.031 0.000 0.982 199 T CB 0.468 69.320 68.868 -0.027 0.000 1.027 199 T HN 0.751 nan 8.240 nan 0.000 0.529 200 L N 0.392 121.602 121.223 -0.023 0.000 2.042 200 L HA -0.036 4.304 4.340 0.000 0.000 0.210 200 L C 2.865 179.708 176.870 -0.046 0.000 1.076 200 L CA 1.757 56.585 54.840 -0.019 0.000 0.749 200 L CB -0.489 41.575 42.059 0.009 0.000 0.893 200 L HN 0.869 nan 8.230 nan 0.000 0.432 201 K N -0.249 120.127 120.400 -0.039 0.000 2.097 201 K HA -0.233 4.087 4.320 0.000 0.000 0.206 201 K C 1.895 178.446 176.600 -0.081 0.000 1.049 201 K CA 1.979 58.239 56.287 -0.045 0.000 0.933 201 K CB -0.090 32.393 32.500 -0.029 0.000 0.717 201 K HN 0.500 nan 8.250 nan 0.000 0.442 202 E N -0.153 119.993 120.200 -0.090 0.000 2.152 202 E HA -0.126 4.224 4.350 0.000 0.000 0.192 202 E C 1.895 178.374 176.600 -0.202 0.000 0.983 202 E CA 0.832 57.166 56.400 -0.111 0.000 0.818 202 E CB -0.019 29.633 29.700 -0.081 0.000 0.758 202 E HN 0.410 nan 8.360 nan 0.000 0.467 203 A N 1.734 124.399 122.820 -0.258 0.000 1.877 203 A HA -0.226 4.094 4.320 0.000 0.000 0.216 203 A C 1.933 178.988 177.584 -0.881 0.000 1.186 203 A CA 1.486 53.206 52.037 -0.528 0.000 0.620 203 A CB -0.289 18.479 19.000 -0.387 0.000 0.822 203 A HN 0.037 nan 8.150 nan 0.000 0.443 204 K N -0.193 119.935 120.400 -0.453 0.000 2.103 204 K HA -0.085 4.235 4.320 0.000 0.000 0.207 204 K C 2.235 178.737 176.600 -0.163 0.000 1.048 204 K CA 1.135 57.292 56.287 -0.216 0.000 0.930 204 K CB -0.340 32.160 32.500 0.000 0.000 0.716 204 K HN 0.452 nan 8.250 nan 0.000 0.444 205 A N 1.223 123.946 122.820 -0.162 0.000 1.933 205 A HA -0.089 4.231 4.320 0.000 0.000 0.218 205 A C 2.419 179.941 177.584 -0.102 0.000 1.175 205 A CA 1.864 53.846 52.037 -0.091 0.000 0.628 205 A CB -1.129 17.825 19.000 -0.077 0.000 0.814 205 A HN 0.429 nan 8.150 nan 0.000 0.444 206 G N -0.856 107.815 108.800 -0.215 0.000 2.418 206 G HA2 -0.138 3.822 3.960 0.000 0.000 0.217 206 G HA3 -0.138 3.822 3.960 0.000 0.000 0.217 206 G C 1.292 176.178 174.900 -0.023 0.000 1.158 206 G CA 1.141 46.145 45.100 -0.160 0.000 0.771 206 G HN 0.395 nan 8.290 nan 0.000 0.545 207 F N 1.162 121.124 119.950 0.019 0.000 2.102 207 F HA 0.049 4.576 4.527 0.000 0.000 0.298 207 F C 2.835 178.645 175.800 0.018 0.000 1.105 207 F CA 0.890 58.902 58.000 0.020 0.000 1.239 207 F CB -0.778 38.227 39.000 0.008 0.000 0.991 207 F HN 0.030 nan 8.300 nan 0.000 0.474 208 R N 0.041 120.652 120.500 0.185 0.000 2.120 208 R HA -0.062 4.278 4.340 0.000 0.000 0.234 208 R C 2.201 178.547 176.300 0.076 0.000 1.123 208 R CA 1.137 57.301 56.100 0.107 0.000 0.975 208 R CB -0.710 29.629 30.300 0.065 0.000 0.866 208 R HN 0.270 nan 8.270 nan 0.000 0.446 209 A N -0.285 122.574 122.820 0.064 0.000 2.167 209 A HA 0.151 4.471 4.320 0.000 0.000 0.214 209 A C 1.459 179.082 177.584 0.065 0.000 1.151 209 A CA 1.205 53.270 52.037 0.047 0.000 0.735 209 A CB 0.174 19.189 19.000 0.024 0.000 0.802 209 A HN 0.481 nan 8.150 nan 0.000 0.467 210 G N -1.481 107.378 108.800 0.099 0.000 2.425 210 G HA2 -0.073 3.887 3.960 0.000 0.000 0.177 210 G HA3 -0.073 3.887 3.960 0.000 0.000 0.177 210 G C 0.097 175.081 174.900 0.140 0.000 0.999 210 G CA -0.188 44.974 45.100 0.103 0.000 0.723 210 G HN 0.275 nan 8.290 nan 0.000 0.491 211 I N 2.646 123.332 120.570 0.194 0.000 2.618 211 I HA 0.270 4.440 4.170 0.000 0.000 0.284 211 I C 1.672 177.947 176.117 0.264 0.000 1.146 211 I CA 1.432 62.884 61.300 0.253 0.000 1.425 211 I CB 1.245 39.437 38.000 0.320 0.000 1.383 211 I HN 0.272 nan 8.210 nan 0.000 0.562 212 T N 2.321 117.003 114.554 0.214 0.000 3.058 212 T HA 0.271 4.621 4.350 0.000 0.000 0.278 212 T C -0.198 174.649 174.700 0.246 0.000 0.974 212 T CA -0.233 61.969 62.100 0.170 0.000 0.893 212 T CB 0.082 69.051 68.868 0.169 0.000 1.138 212 T HN 0.337 nan 8.240 nan 0.000 0.529 213 F N 1.209 121.210 119.950 0.084 0.000 2.643 213 F HA 0.765 5.292 4.527 0.000 0.000 0.314 213 F C -1.629 174.218 175.800 0.079 0.000 1.096 213 F CA -1.046 56.997 58.000 0.072 0.000 0.953 213 F CB 1.805 40.820 39.000 0.026 0.000 1.345 213 F HN 0.161 nan 8.300 nan 0.000 0.468 214 A N 1.857 124.591 122.820 -0.143 0.000 2.398 214 A HA 0.625 4.945 4.320 0.000 0.000 0.301 214 A C -1.226 176.369 177.584 0.018 0.000 1.041 214 A CA -0.578 51.461 52.037 0.002 0.000 0.711 214 A CB 1.115 20.068 19.000 -0.078 0.000 1.240 214 A HN 0.617 nan 8.150 nan 0.000 0.420 215 T N 3.021 117.626 114.554 0.085 0.000 2.794 215 T HA 0.461 4.811 4.350 0.000 0.000 0.296 215 T C -0.087 174.433 174.700 -0.301 0.000 0.949 215 T CA 0.637 62.708 62.100 -0.048 0.000 1.101 215 T CB -0.149 68.630 68.868 -0.148 0.000 0.905 215 T HN 1.373 nan 8.240 nan 0.000 0.516 216 H N 0.175 119.337 119.070 0.154 0.000 2.262 216 H HA -0.169 4.387 4.556 0.000 0.000 0.303 216 H C -0.207 175.151 175.328 0.049 0.000 0.860 216 H CA -0.440 55.666 56.048 0.095 0.000 1.000 216 H CB -2.140 27.683 29.762 0.102 0.000 1.584 216 H HN 0.424 nan 8.280 nan 0.000 0.304 217 L N 3.183 124.467 121.223 0.103 0.000 2.593 217 L HA 0.006 4.346 4.340 0.000 0.000 0.287 217 L C 0.849 177.758 176.870 0.063 0.000 1.243 217 L CA 1.364 56.163 54.840 -0.069 0.000 0.890 217 L CB -0.612 41.275 42.059 -0.287 0.000 1.134 217 L HN 0.837 nan 8.230 nan 0.000 0.502 218 Y N 0.260 120.619 120.300 0.099 0.000 3.717 218 Y HA -0.358 4.192 4.550 0.000 0.000 0.389 218 Y C 0.792 176.748 175.900 0.093 0.000 1.263 218 Y CA 1.181 59.330 58.100 0.082 0.000 2.057 218 Y CB -1.386 37.098 38.460 0.040 0.000 0.874 218 Y HN 0.730 nan 8.280 nan 0.000 0.450 219 N N 1.172 120.022 118.700 0.250 0.000 2.434 219 N HA 0.508 5.248 4.740 0.000 0.000 0.272 219 N C 0.407 175.955 175.510 0.063 0.000 1.040 219 N CA 0.359 53.460 53.050 0.086 0.000 0.956 219 N CB 1.296 39.686 38.487 -0.162 0.000 1.108 219 N HN 0.440 nan 8.380 nan 0.000 0.481 220 A N 1.895 124.723 122.820 0.014 0.000 2.846 220 A HA -0.231 4.089 4.320 0.000 0.000 0.287 220 A C -0.220 177.369 177.584 0.007 0.000 1.469 220 A CA 1.018 53.017 52.037 -0.062 0.000 0.757 220 A CB -1.835 16.877 19.000 -0.480 0.000 1.033 220 A HN 0.676 nan 8.150 nan 0.000 0.516 221 M N -1.634 118.019 119.600 0.088 0.000 2.631 221 M HA 0.510 4.990 4.480 0.000 0.000 0.288 221 M C -2.785 173.566 176.300 0.086 0.000 1.260 221 M CA -2.307 53.043 55.300 0.085 0.000 0.842 221 M CB 2.050 34.718 32.600 0.113 0.000 1.743 221 M HN 0.020 nan 8.290 nan 0.000 0.461 222 P HA 0.076 nan 4.420 nan 0.000 0.271 222 P C -1.499 175.898 177.300 0.161 0.000 1.218 222 P CA 0.202 63.289 63.100 -0.022 0.000 0.780 222 P CB 0.180 31.873 31.700 -0.012 0.000 0.901 223 Y N 1.104 121.431 120.300 0.045 0.000 2.411 223 Y HA 0.170 4.720 4.550 0.000 0.000 0.333 223 Y C 1.277 177.208 175.900 0.052 0.000 1.186 223 Y CA -1.005 57.126 58.100 0.052 0.000 1.381 223 Y CB 0.299 38.776 38.460 0.028 0.000 1.273 223 Y HN 0.114 nan 8.280 nan 0.000 0.546 224 I N 3.231 123.942 120.570 0.234 0.000 2.471 224 I HA 0.072 4.242 4.170 0.000 0.000 0.286 224 I C 0.305 176.489 176.117 0.112 0.000 1.079 224 I CA 0.283 61.671 61.300 0.147 0.000 1.398 224 I CB 0.625 38.709 38.000 0.140 0.000 1.403 224 I HN 0.624 nan 8.210 nan 0.000 0.530 225 T N 1.214 115.818 114.554 0.083 0.000 2.906 225 T HA 0.417 4.767 4.350 0.000 0.000 0.295 225 T C 1.052 175.779 174.700 0.045 0.000 1.075 225 T CA -0.349 61.788 62.100 0.061 0.000 1.005 225 T CB 1.701 70.603 68.868 0.056 0.000 1.136 225 T HN 0.654 nan 8.240 nan 0.000 0.498 226 G N 0.810 109.631 108.800 0.035 0.000 2.513 226 G HA2 -0.214 3.746 3.960 0.000 0.000 0.219 226 G HA3 -0.214 3.746 3.960 0.000 0.000 0.219 226 G C 1.445 176.360 174.900 0.025 0.000 1.160 226 G CA 0.491 45.608 45.100 0.028 0.000 0.767 226 G HN 0.768 nan 8.290 nan 0.000 0.571 227 R N -0.217 120.297 120.500 0.023 0.000 2.254 227 R HA 0.111 4.451 4.340 0.000 0.000 0.195 227 R C 0.379 176.690 176.300 0.019 0.000 0.957 227 R CA 0.451 56.562 56.100 0.018 0.000 1.024 227 R CB 0.399 30.708 30.300 0.014 0.000 0.952 227 R HN 0.340 nan 8.270 nan 0.000 0.484 228 E N 0.576 120.791 120.200 0.025 0.000 2.683 228 E HA 0.195 4.545 4.350 0.000 0.000 0.224 228 E C -2.234 174.388 176.600 0.036 0.000 1.046 228 E CA -2.300 54.114 56.400 0.024 0.000 0.811 228 E CB 1.318 31.030 29.700 0.019 0.000 1.296 228 E HN -0.152 nan 8.360 nan 0.000 0.421 229 P HA 0.003 nan 4.420 nan 0.000 0.215 229 P C 0.447 177.777 177.300 0.051 0.000 1.153 229 P CA 1.498 64.626 63.100 0.046 0.000 0.853 229 P CB 0.075 31.798 31.700 0.038 0.000 0.788 230 G N -1.054 107.766 108.800 0.033 0.000 2.796 230 G HA2 -0.276 3.684 3.960 0.000 0.000 0.226 230 G HA3 -0.276 3.684 3.960 0.000 0.000 0.226 230 G C 0.395 175.310 174.900 0.026 0.000 1.381 230 G CA -0.164 44.951 45.100 0.025 0.000 0.867 230 G HN 0.374 nan 8.290 nan 0.000 0.552 231 L N 0.250 121.483 121.223 0.018 0.000 2.042 231 L HA 0.194 4.534 4.340 0.000 0.000 0.210 231 L C 3.150 180.048 176.870 0.047 0.000 1.076 231 L CA 3.434 58.286 54.840 0.020 0.000 0.749 231 L CB -1.134 40.932 42.059 0.012 0.000 0.893 231 L HN 1.604 nan 8.230 nan 0.000 0.432 232 A N -0.417 122.426 122.820 0.038 0.000 1.877 232 A HA -0.066 4.254 4.320 0.000 0.000 0.216 232 A C 2.368 179.950 177.584 -0.003 0.000 1.186 232 A CA 1.595 53.626 52.037 -0.010 0.000 0.620 232 A CB -1.646 17.370 19.000 0.028 0.000 0.822 232 A HN 0.540 nan 8.150 nan 0.000 0.443 233 G N -0.547 108.280 108.800 0.044 0.000 2.418 233 G HA2 -0.009 3.951 3.960 0.000 0.000 0.217 233 G HA3 -0.009 3.951 3.960 0.000 0.000 0.217 233 G C 1.743 176.668 174.900 0.043 0.000 1.158 233 G CA 1.526 46.653 45.100 0.044 0.000 0.771 233 G HN 0.807 nan 8.290 nan 0.000 0.545 234 A N 0.869 123.734 122.820 0.074 0.000 1.877 234 A HA 0.001 4.321 4.320 0.000 0.000 0.216 234 A C 2.406 180.083 177.584 0.155 0.000 1.186 234 A CA 1.417 53.540 52.037 0.144 0.000 0.620 234 A CB -0.401 18.709 19.000 0.184 0.000 0.822 234 A HN 0.377 nan 8.150 nan 0.000 0.443 235 I N -0.235 120.409 120.570 0.123 0.000 2.208 235 I HA -0.277 3.893 4.170 0.000 0.000 0.245 235 I C 2.349 178.402 176.117 -0.107 0.000 1.097 235 I CA 1.176 62.470 61.300 -0.009 0.000 1.363 235 I CB -0.352 37.621 38.000 -0.045 0.000 1.051 235 I HN 0.297 nan 8.210 nan 0.000 0.413 236 L N 0.148 121.322 121.223 -0.082 0.000 2.083 236 L HA -0.242 4.098 4.340 0.000 0.000 0.209 236 L C 1.986 178.814 176.870 -0.070 0.000 1.083 236 L CA 1.566 56.355 54.840 -0.085 0.000 0.752 236 L CB -0.598 41.433 42.059 -0.047 0.000 0.899 236 L HN 0.277 nan 8.230 nan 0.000 0.433 237 D N -0.466 119.911 120.400 -0.039 0.000 2.355 237 D HA -0.098 4.542 4.640 0.000 0.000 0.218 237 D C 0.570 176.835 176.300 -0.059 0.000 1.004 237 D CA 0.205 54.186 54.000 -0.032 0.000 0.880 237 D CB 0.301 41.104 40.800 0.005 0.000 0.911 237 D HN 0.043 nan 8.370 nan 0.000 0.528 238 E N -0.574 119.560 120.200 -0.111 0.000 2.035 238 E HA 0.470 4.820 4.350 0.000 0.000 0.271 238 E C 0.703 177.155 176.600 -0.247 0.000 0.953 238 E CA -0.306 55.979 56.400 -0.192 0.000 0.777 238 E CB 0.871 30.360 29.700 -0.352 0.000 1.104 238 E HN 0.123 nan 8.360 nan 0.000 0.408 239 A N 4.201 126.906 122.820 -0.193 0.000 1.986 239 A HA -0.192 4.128 4.320 0.000 0.000 0.220 239 A C 1.222 178.642 177.584 -0.274 0.000 1.171 239 A CA 1.731 53.643 52.037 -0.209 0.000 0.640 239 A CB -0.144 18.765 19.000 -0.151 0.000 0.811 239 A HN 0.586 nan 8.150 nan 0.000 0.451 240 D N -0.400 119.840 120.400 -0.266 0.000 2.340 240 D HA 0.096 4.736 4.640 0.000 0.000 0.220 240 D C 0.142 176.241 176.300 -0.334 0.000 1.039 240 D CA 0.166 54.004 54.000 -0.270 0.000 0.866 240 D CB 0.052 40.752 40.800 -0.167 0.000 0.913 240 D HN 0.269 nan 8.370 nan 0.000 0.523 241 I N 1.659 121.979 120.570 -0.417 0.000 2.325 241 I HA 0.107 4.277 4.170 0.000 0.000 0.291 241 I C 0.308 176.181 176.117 -0.406 0.000 1.019 241 I CA -0.759 60.293 61.300 -0.414 0.000 1.302 241 I CB -0.414 37.214 38.000 -0.620 0.000 1.401 241 I HN -0.170 nan 8.210 nan 0.000 0.485 242 Y N 5.223 125.356 120.300 -0.278 0.000 2.300 242 Y HA 0.415 4.965 4.550 0.000 0.000 0.328 242 Y C 0.771 176.188 175.900 -0.804 0.000 1.270 242 Y CA 0.041 57.920 58.100 -0.368 0.000 1.352 242 Y CB 1.294 39.686 38.460 -0.114 0.000 1.286 242 Y HN 0.744 nan 8.280 nan 0.000 0.536 243 C N -0.215 118.653 119.300 -0.719 0.000 3.241 243 C HA 0.830 5.290 4.460 0.000 0.000 0.348 243 C C -0.030 174.653 174.990 -0.511 0.000 1.180 243 C CA -1.015 57.432 59.018 -0.952 0.000 1.273 243 C CB 0.808 28.260 27.740 -0.481 0.000 1.620 243 C HN 1.108 nan 8.230 nan 0.000 0.510 244 G N 0.765 109.391 108.800 -0.290 0.000 2.412 244 G HA2 0.711 4.671 3.960 0.000 0.000 0.318 244 G HA3 0.711 4.671 3.960 0.000 0.000 0.318 244 G C -1.277 173.669 174.900 0.077 0.000 1.146 244 G CA -0.630 44.525 45.100 0.092 0.000 0.882 244 G HN 1.273 nan 8.290 nan 0.000 0.501 245 I N 0.732 121.366 120.570 0.106 0.000 2.656 245 I HA 0.430 4.600 4.170 0.000 0.000 0.292 245 I C -0.828 175.354 176.117 0.108 0.000 1.144 245 I CA -1.170 60.201 61.300 0.118 0.000 1.038 245 I CB 2.062 40.126 38.000 0.107 0.000 1.244 245 I HN 0.325 nan 8.210 nan 0.000 0.420 246 I N 7.337 127.965 120.570 0.098 0.000 2.337 246 I HA 0.301 4.471 4.170 0.000 0.000 0.291 246 I C 0.610 176.755 176.117 0.047 0.000 1.046 246 I CA 0.024 61.338 61.300 0.024 0.000 1.324 246 I CB 1.457 39.392 38.000 -0.108 0.000 1.409 246 I HN 0.665 nan 8.210 nan 0.000 0.494 247 A N 5.099 127.949 122.820 0.050 0.000 3.290 247 A HA 0.237 4.557 4.320 0.000 0.000 0.297 247 A C 0.478 178.130 177.584 0.113 0.000 1.285 247 A CA -0.525 51.577 52.037 0.108 0.000 1.060 247 A CB -0.576 18.496 19.000 0.120 0.000 1.114 247 A HN 0.773 nan 8.150 nan 0.000 0.601 248 D N -1.042 119.387 120.400 0.048 0.000 2.369 248 D HA 0.215 4.855 4.640 0.000 0.000 0.211 248 D C 1.153 177.424 176.300 -0.049 0.000 1.077 248 D CA 0.562 54.588 54.000 0.044 0.000 0.842 248 D CB -0.171 40.660 40.800 0.051 0.000 0.947 248 D HN 0.777 nan 8.370 nan 0.000 0.509 249 G N 0.151 108.764 108.800 -0.312 0.000 2.184 249 G HA2 -0.307 3.653 3.960 0.000 0.000 0.264 249 G HA3 -0.307 3.653 3.960 0.000 0.000 0.264 249 G C 0.637 175.268 174.900 -0.448 0.000 0.975 249 G CA 0.761 45.344 45.100 -0.861 0.000 0.642 249 G HN 0.352 nan 8.290 nan 0.000 0.536 250 L N -1.565 119.533 121.223 -0.210 0.000 2.515 250 L HA 0.417 4.757 4.340 0.000 0.000 0.202 250 L C 2.158 178.935 176.870 -0.155 0.000 1.056 250 L CA 1.751 56.499 54.840 -0.153 0.000 0.847 250 L CB -0.820 41.192 42.059 -0.078 0.000 1.131 250 L HN 0.230 nan 8.230 nan 0.000 0.484 251 H N -1.324 117.667 119.070 -0.131 0.000 2.428 251 H HA 0.219 4.775 4.556 0.000 0.000 0.296 251 H C -0.198 175.062 175.328 -0.113 0.000 1.062 251 H CA 0.618 56.605 56.048 -0.101 0.000 1.350 251 H CB 0.287 30.011 29.762 -0.064 0.000 1.403 251 H HN -0.068 nan 8.280 nan 0.000 0.533 252 V N 1.147 121.044 119.914 -0.028 0.000 2.569 252 V HA 0.060 4.180 4.120 0.000 0.000 0.301 252 V C -0.350 175.607 176.094 -0.229 0.000 1.044 252 V CA -1.348 60.891 62.300 -0.102 0.000 0.874 252 V CB 2.250 34.090 31.823 0.028 0.000 1.002 252 V HN 0.269 nan 8.190 nan 0.000 0.424 253 D N 2.672 122.916 120.400 -0.259 0.000 2.472 253 D HA -0.027 4.613 4.640 0.000 0.000 0.237 253 D C 0.514 176.707 176.300 -0.177 0.000 1.141 253 D CA 0.207 54.044 54.000 -0.272 0.000 0.875 253 D CB 0.902 41.578 40.800 -0.207 0.000 1.192 253 D HN 0.523 nan 8.370 nan 0.000 0.450 254 Y N 2.391 122.649 120.300 -0.071 0.000 2.241 254 Y HA -0.208 4.342 4.550 0.000 0.000 0.286 254 Y C 2.395 178.278 175.900 -0.029 0.000 1.166 254 Y CA 1.170 59.249 58.100 -0.035 0.000 1.203 254 Y CB -0.820 37.626 38.460 -0.024 0.000 0.977 254 Y HN 0.564 nan 8.280 nan 0.000 0.529 255 A N 0.167 123.039 122.820 0.087 0.000 1.933 255 A HA -0.193 4.127 4.320 0.000 0.000 0.218 255 A C 2.148 179.735 177.584 0.004 0.000 1.175 255 A CA 1.767 53.825 52.037 0.035 0.000 0.628 255 A CB -0.555 18.441 19.000 -0.006 0.000 0.814 255 A HN 0.408 nan 8.150 nan 0.000 0.444 256 N N 0.008 118.664 118.700 -0.073 0.000 2.270 256 N HA -0.022 4.718 4.740 0.000 0.000 0.181 256 N C 1.600 177.168 175.510 0.097 0.000 1.016 256 N CA 1.119 54.083 53.050 -0.143 0.000 0.870 256 N CB -0.325 37.796 38.487 -0.610 0.000 0.979 256 N HN 0.564 nan 8.380 nan 0.000 0.431 257 I N 0.969 121.611 120.570 0.120 0.000 2.252 257 I HA -0.192 3.978 4.170 0.000 0.000 0.245 257 I C 2.282 178.482 176.117 0.139 0.000 1.102 257 I CA 0.843 62.253 61.300 0.183 0.000 1.385 257 I CB -0.079 38.042 38.000 0.201 0.000 1.064 257 I HN 0.075 nan 8.210 nan 0.000 0.414 258 R N 0.695 121.260 120.500 0.109 0.000 2.073 258 R HA -0.136 4.204 4.340 0.000 0.000 0.234 258 R C 2.107 178.450 176.300 0.072 0.000 1.134 258 R CA 1.454 57.600 56.100 0.076 0.000 0.952 258 R CB -0.477 29.859 30.300 0.059 0.000 0.850 258 R HN 0.396 nan 8.270 nan 0.000 0.433 259 N N 0.862 119.611 118.700 0.081 0.000 2.149 259 N HA -0.146 4.594 4.740 0.000 0.000 0.188 259 N C 1.668 177.235 175.510 0.095 0.000 1.019 259 N CA 1.529 54.628 53.050 0.081 0.000 0.857 259 N CB -0.325 38.216 38.487 0.091 0.000 0.997 259 N HN 0.237 nan 8.380 nan 0.000 0.426 260 A N 1.073 123.979 122.820 0.143 0.000 1.873 260 A HA -0.135 4.185 4.320 0.000 0.000 0.215 260 A C 2.220 179.823 177.584 0.032 0.000 1.186 260 A CA 1.671 53.767 52.037 0.098 0.000 0.616 260 A CB -0.439 18.654 19.000 0.155 0.000 0.823 260 A HN 0.190 nan 8.150 nan 0.000 0.442 261 K N 0.179 120.608 120.400 0.049 0.000 2.097 261 K HA -0.072 4.248 4.320 0.000 0.000 0.206 261 K C 2.056 178.660 176.600 0.007 0.000 1.049 261 K CA 1.506 57.809 56.287 0.026 0.000 0.933 261 K CB -0.259 32.269 32.500 0.047 0.000 0.717 261 K HN 0.484 nan 8.250 nan 0.000 0.442 262 R N -0.319 120.191 120.500 0.016 0.000 2.115 262 R HA 0.015 4.356 4.340 0.000 0.000 0.226 262 R C 2.089 178.381 176.300 -0.014 0.000 1.100 262 R CA 1.243 57.346 56.100 0.006 0.000 0.980 262 R CB -0.167 30.142 30.300 0.016 0.000 0.875 262 R HN 0.210 nan 8.270 nan 0.000 0.445 263 L N 0.095 121.307 121.223 -0.019 0.000 2.298 263 L HA 0.004 4.344 4.340 0.000 0.000 0.209 263 L C 1.958 178.778 176.870 -0.082 0.000 1.084 263 L CA 0.620 55.435 54.840 -0.041 0.000 0.816 263 L CB -0.039 42.003 42.059 -0.029 0.000 0.967 263 L HN -0.065 nan 8.230 nan 0.000 0.460 264 K N 0.328 120.671 120.400 -0.096 0.000 2.243 264 K HA 0.170 4.490 4.320 0.000 0.000 0.201 264 K C 1.376 177.866 176.600 -0.184 0.000 1.051 264 K CA 0.809 57.001 56.287 -0.158 0.000 0.970 264 K CB -0.211 32.191 32.500 -0.164 0.000 0.755 264 K HN 0.284 nan 8.250 nan 0.000 0.465 265 G N 2.675 111.400 108.800 -0.126 0.000 2.596 265 G HA2 -0.397 3.563 3.960 0.000 0.000 0.304 265 G HA3 -0.397 3.563 3.960 0.000 0.000 0.304 265 G C 0.282 175.049 174.900 -0.220 0.000 1.189 265 G CA 0.883 45.905 45.100 -0.129 0.000 0.986 265 G HN 0.419 nan 8.290 nan 0.000 0.548 266 D N 0.560 120.745 120.400 -0.358 0.000 2.325 266 D HA 0.241 4.881 4.640 0.000 0.000 0.234 266 D C 1.529 177.261 176.300 -0.948 0.000 1.122 266 D CA 0.678 54.195 54.000 -0.806 0.000 0.850 266 D CB 0.332 40.783 40.800 -0.582 0.000 0.921 266 D HN 0.367 nan 8.370 nan 0.000 0.513 267 K N -0.227 119.807 120.400 -0.610 0.000 2.353 267 K HA 0.167 4.487 4.320 0.000 0.000 0.195 267 K C 0.198 176.648 176.600 -0.249 0.000 1.031 267 K CA -0.430 55.483 56.287 -0.623 0.000 1.079 267 K CB 0.586 32.656 32.500 -0.717 0.000 0.857 267 K HN 0.205 nan 8.250 nan 0.000 0.535 268 L N 1.673 122.795 121.223 -0.169 0.000 2.313 268 L HA 0.134 4.474 4.340 0.000 0.000 0.282 268 L C -0.763 176.193 176.870 0.143 0.000 1.092 268 L CA -0.087 54.738 54.840 -0.026 0.000 0.831 268 L CB 0.412 42.465 42.059 -0.011 0.000 1.159 268 L HN 0.046 nan 8.230 nan 0.000 0.442 269 C N 5.425 124.807 119.300 0.136 0.000 2.382 269 C HA 0.433 4.893 4.460 0.000 0.000 0.327 269 C C 0.123 175.200 174.990 0.145 0.000 1.250 269 C CA -1.395 57.748 59.018 0.209 0.000 1.707 269 C CB 1.122 29.036 27.740 0.290 0.000 2.272 269 C HN 0.750 nan 8.230 nan 0.000 0.506 270 L N 4.752 126.041 121.223 0.110 0.000 2.349 270 L HA 0.734 5.074 4.340 0.000 0.000 0.275 270 L C -0.322 176.591 176.870 0.071 0.000 1.115 270 L CA 0.276 55.150 54.840 0.056 0.000 0.820 270 L CB 0.913 42.958 42.059 -0.025 0.000 1.135 270 L HN 0.765 nan 8.230 nan 0.000 0.445 271 V N 1.128 121.087 119.914 0.075 0.000 3.159 271 V HA 0.532 4.652 4.120 0.000 0.000 0.308 271 V C 0.357 176.478 176.094 0.046 0.000 1.190 271 V CA 0.065 62.417 62.300 0.087 0.000 1.037 271 V CB 1.527 33.440 31.823 0.150 0.000 1.060 271 V HN 0.826 nan 8.190 nan 0.000 0.437 272 T N -3.211 111.367 114.554 0.039 0.000 3.042 272 T HA 0.139 4.489 4.350 0.000 0.000 0.245 272 T C 0.881 175.569 174.700 -0.021 0.000 1.029 272 T CA 1.198 63.297 62.100 -0.002 0.000 1.120 272 T CB -0.333 68.534 68.868 -0.001 0.000 0.917 272 T HN 1.410 nan 8.240 nan 0.000 0.467 273 D N 1.645 122.067 120.400 0.037 0.000 2.811 273 D HA -0.149 4.491 4.640 0.000 0.000 0.231 273 D C 0.262 176.566 176.300 0.007 0.000 1.157 273 D CA 0.617 54.648 54.000 0.052 0.000 0.716 273 D CB -1.452 39.380 40.800 0.053 0.000 1.077 273 D HN 0.933 nan 8.370 nan 0.000 0.428 274 A N -0.545 122.277 122.820 0.003 0.000 2.386 274 A HA 0.602 4.922 4.320 0.000 0.000 0.246 274 A C 1.072 178.661 177.584 0.008 0.000 1.089 274 A CA 0.643 52.678 52.037 -0.003 0.000 0.790 274 A CB 0.531 19.524 19.000 -0.012 0.000 1.042 274 A HN 0.572 nan 8.150 nan 0.000 0.497 275 T N -3.177 111.381 114.554 0.008 0.000 2.858 275 T HA 0.629 4.979 4.350 0.000 0.000 0.285 275 T C 1.302 176.004 174.700 0.003 0.000 1.052 275 T CA -0.008 62.099 62.100 0.011 0.000 1.009 275 T CB 0.907 69.785 68.868 0.018 0.000 1.241 275 T HN 1.643 nan 8.240 nan 0.000 0.542 276 A N 1.543 124.366 122.820 0.004 0.000 1.935 276 A HA -0.126 4.194 4.320 0.000 0.000 0.224 276 A C 0.239 177.823 177.584 -0.001 0.000 1.324 276 A CA 2.425 54.463 52.037 0.001 0.000 0.686 276 A CB -2.342 16.660 19.000 0.004 0.000 0.837 276 A HN 0.839 nan 8.150 nan 0.000 0.481 277 P HA -0.135 nan 4.420 nan 0.000 0.219 277 P C 1.543 178.844 177.300 0.002 0.000 1.146 277 P CA 1.767 64.870 63.100 0.004 0.000 0.808 277 P CB -0.257 31.448 31.700 0.009 0.000 0.779 278 A N 1.022 123.841 122.820 -0.002 0.000 1.859 278 A HA -0.191 4.129 4.320 0.000 0.000 0.218 278 A C 2.587 180.166 177.584 -0.009 0.000 1.209 278 A CA 2.614 54.648 52.037 -0.006 0.000 0.639 278 A CB -2.045 16.947 19.000 -0.015 0.000 0.835 278 A HN 0.289 nan 8.150 nan 0.000 0.450 279 G N -0.636 108.153 108.800 -0.019 0.000 2.587 279 G HA2 0.139 4.099 3.960 0.000 0.000 0.217 279 G HA3 0.139 4.099 3.960 0.000 0.000 0.217 279 G C 0.998 175.894 174.900 -0.007 0.000 1.240 279 G CA 1.857 46.946 45.100 -0.020 0.000 0.794 279 G HN 1.120 nan 8.290 nan 0.000 0.580 308 G N 1.349 110.196 108.800 0.078 0.000 2.663 308 G HA2 0.178 4.138 3.960 0.000 0.000 0.686 308 G HA3 0.178 4.138 3.960 0.000 0.000 0.686 308 G C -0.531 174.495 174.900 0.211 0.000 1.288 308 G CA 0.019 45.203 45.100 0.140 0.000 0.836 308 G HN 1.281 nan 8.290 nan 0.000 0.584 309 S N -1.162 114.628 115.700 0.151 0.000 2.509 309 S HA 0.764 5.234 4.470 0.000 0.000 0.297 309 S C 1.034 175.655 174.600 0.035 0.000 1.118 309 S CA 0.695 58.946 58.200 0.084 0.000 1.074 309 S CB 1.371 64.483 63.200 -0.146 0.000 1.038 309 S HN 2.165 nan 8.310 nan 0.000 0.498 310 S N 4.361 120.080 115.700 0.032 0.000 2.846 310 S HA 0.323 4.793 4.470 0.000 0.000 0.249 310 S C 0.272 174.877 174.600 0.008 0.000 1.028 310 S CA -0.513 57.697 58.200 0.017 0.000 1.043 310 S CB -0.317 62.896 63.200 0.022 0.000 0.990 310 S HN 0.670 nan 8.310 nan 0.000 0.564 311 L N 3.484 124.706 121.223 -0.001 0.000 2.483 311 L HA 0.295 4.635 4.340 0.000 0.000 0.276 311 L C 0.520 177.385 176.870 -0.008 0.000 1.213 311 L CA 0.492 55.328 54.840 -0.007 0.000 0.843 311 L CB 1.058 43.104 42.059 -0.021 0.000 1.107 311 L HN 0.535 nan 8.230 nan 0.000 0.487 312 T N 0.584 115.135 114.554 -0.006 0.000 2.932 312 T HA 0.295 4.645 4.350 0.000 0.000 0.289 312 T C 1.063 175.757 174.700 -0.009 0.000 1.039 312 T CA -1.014 61.089 62.100 0.004 0.000 1.024 312 T CB 1.648 70.528 68.868 0.021 0.000 1.090 312 T HN 0.462 nan 8.240 nan 0.000 0.496 313 M N 0.896 120.506 119.600 0.017 0.000 2.159 313 M HA 0.012 4.492 4.480 0.000 0.000 0.263 313 M C 2.073 178.259 176.300 -0.190 0.000 1.063 313 M CA 1.198 56.455 55.300 -0.071 0.000 1.110 313 M CB -1.412 31.204 32.600 0.027 0.000 1.374 313 M HN 0.761 nan 8.290 nan 0.000 0.411 314 I N 0.860 121.443 120.570 0.022 0.000 2.315 314 I HA -0.213 3.957 4.170 0.000 0.000 0.248 314 I C 2.061 178.102 176.117 -0.127 0.000 1.117 314 I CA 1.659 62.968 61.300 0.016 0.000 1.404 314 I CB -0.317 37.795 38.000 0.186 0.000 1.071 314 I HN 0.329 nan 8.210 nan 0.000 0.419 315 E N 0.022 120.171 120.200 -0.085 0.000 2.072 315 E HA -0.140 4.210 4.350 0.000 0.000 0.191 315 E C 2.219 178.725 176.600 -0.157 0.000 0.985 315 E CA 1.019 57.355 56.400 -0.106 0.000 0.801 315 E CB -0.533 29.143 29.700 -0.039 0.000 0.750 315 E HN 0.656 nan 8.360 nan 0.000 0.452 316 G N 0.818 109.530 108.800 -0.146 0.000 2.422 316 G HA2 -0.218 3.742 3.960 0.000 0.000 0.218 316 G HA3 -0.218 3.742 3.960 0.000 0.000 0.218 316 G C 1.720 176.487 174.900 -0.221 0.000 1.146 316 G CA 0.557 45.577 45.100 -0.135 0.000 0.769 316 G HN 0.109 nan 8.290 nan 0.000 0.547 317 V N 0.685 120.397 119.914 -0.337 0.000 2.307 317 V HA -0.151 3.969 4.120 0.000 0.000 0.245 317 V C 2.780 178.555 176.094 -0.533 0.000 1.045 317 V CA 2.163 64.225 62.300 -0.396 0.000 1.024 317 V CB -0.443 31.100 31.823 -0.467 0.000 0.651 317 V HN 0.451 nan 8.190 nan 0.000 0.449 318 R N 0.436 120.467 120.500 -0.781 0.000 2.073 318 R HA -0.187 4.153 4.340 0.000 0.000 0.234 318 R C 2.189 178.106 176.300 -0.639 0.000 1.134 318 R CA 2.092 57.447 56.100 -1.241 0.000 0.952 318 R CB -0.339 29.317 30.300 -1.073 0.000 0.850 318 R HN 0.516 nan 8.270 nan 0.000 0.433 319 N N 0.838 119.331 118.700 -0.345 0.000 2.104 319 N HA -0.168 4.572 4.740 0.000 0.000 0.190 319 N C 1.877 177.237 175.510 -0.251 0.000 1.024 319 N CA 1.311 54.265 53.050 -0.161 0.000 0.853 319 N CB -0.282 38.249 38.487 0.074 0.000 1.008 319 N HN 0.279 nan 8.380 nan 0.000 0.424 320 L N 0.263 121.364 121.223 -0.204 0.000 2.083 320 L HA -0.103 4.237 4.340 0.000 0.000 0.209 320 L C 2.121 178.881 176.870 -0.183 0.000 1.083 320 L CA 0.721 55.469 54.840 -0.154 0.000 0.752 320 L CB -0.275 41.723 42.059 -0.101 0.000 0.899 320 L HN -0.009 nan 8.230 nan 0.000 0.433 321 V N 0.280 120.057 119.914 -0.227 0.000 2.407 321 V HA -0.211 3.909 4.120 0.000 0.000 0.245 321 V C 2.375 178.343 176.094 -0.210 0.000 1.041 321 V CA 1.937 64.141 62.300 -0.160 0.000 1.040 321 V CB -0.577 31.204 31.823 -0.069 0.000 0.671 321 V HN 0.620 nan 8.190 nan 0.000 0.455 322 E N -0.920 119.062 120.200 -0.362 0.000 2.299 322 E HA -0.142 4.208 4.350 0.000 0.000 0.193 322 E C 1.661 177.882 176.600 -0.631 0.000 0.998 322 E CA 1.025 57.136 56.400 -0.482 0.000 0.851 322 E CB -0.166 29.175 29.700 -0.599 0.000 0.795 322 E HN 0.688 nan 8.360 nan 0.000 0.492 323 H N -0.796 118.047 119.070 -0.378 0.000 2.885 323 H HA 0.267 4.823 4.556 0.000 0.000 0.260 323 H C 0.916 176.011 175.328 -0.390 0.000 0.985 323 H CA 0.091 55.838 56.048 -0.501 0.000 1.210 323 H CB 0.671 29.758 29.762 -1.125 0.000 1.466 323 H HN 0.238 nan 8.280 nan 0.000 0.493 324 C N 0.441 119.620 119.300 -0.201 0.000 3.038 324 C HA 0.364 4.824 4.460 0.000 0.000 0.279 324 C C 1.686 176.652 174.990 -0.040 0.000 1.276 324 C CA 0.351 59.321 59.018 -0.079 0.000 1.697 324 C CB -0.495 27.223 27.740 -0.038 0.000 2.032 324 C HN 0.764 nan 8.230 nan 0.000 0.636 325 G N 1.971 110.735 108.800 -0.059 0.000 2.283 325 G HA2 -0.269 3.691 3.960 0.000 0.000 0.280 325 G HA3 -0.269 3.691 3.960 0.000 0.000 0.280 325 G C -0.181 174.711 174.900 -0.013 0.000 1.029 325 G CA 0.207 45.288 45.100 -0.031 0.000 0.840 325 G HN 0.627 nan 8.290 nan 0.000 0.505 326 I N 0.624 121.182 120.570 -0.020 0.000 2.412 326 I HA 0.598 4.768 4.170 0.000 0.000 0.296 326 I C 0.990 177.111 176.117 0.006 0.000 0.987 326 I CA -0.730 60.572 61.300 0.002 0.000 1.180 326 I CB 1.751 39.755 38.000 0.006 0.000 1.340 326 I HN 0.272 nan 8.210 nan 0.000 0.455 327 A N 4.817 127.653 122.820 0.027 0.000 2.483 327 A HA 0.076 4.396 4.320 0.000 0.000 0.238 327 A C 0.988 178.595 177.584 0.038 0.000 1.070 327 A CA -0.233 51.829 52.037 0.041 0.000 0.770 327 A CB 0.260 19.298 19.000 0.063 0.000 1.008 327 A HN 0.832 nan 8.150 nan 0.000 0.497 328 L N 1.481 122.746 121.223 0.069 0.000 2.042 328 L HA -0.187 4.153 4.340 0.000 0.000 0.210 328 L C 2.160 179.007 176.870 -0.038 0.000 1.076 328 L CA 3.004 57.896 54.840 0.087 0.000 0.749 328 L CB -0.751 41.415 42.059 0.178 0.000 0.893 328 L HN 0.902 nan 8.230 nan 0.000 0.432 329 D N -1.083 119.293 120.400 -0.041 0.000 2.144 329 D HA -0.286 4.354 4.640 0.000 0.000 0.199 329 D C 1.927 178.060 176.300 -0.278 0.000 0.984 329 D CA 1.568 55.279 54.000 -0.482 0.000 0.834 329 D CB -0.393 40.321 40.800 -0.144 0.000 0.955 329 D HN 0.557 nan 8.370 nan 0.000 0.465 330 E N 0.578 120.742 120.200 -0.060 0.000 2.107 330 E HA -0.062 4.288 4.350 0.000 0.000 0.191 330 E C 2.128 178.705 176.600 -0.038 0.000 0.982 330 E CA 0.574 56.978 56.400 0.007 0.000 0.809 330 E CB -0.173 29.574 29.700 0.079 0.000 0.756 330 E HN 0.148 nan 8.360 nan 0.000 0.459 331 V N 0.507 120.385 119.914 -0.059 0.000 2.343 331 V HA -0.209 3.911 4.120 0.000 0.000 0.247 331 V C 2.197 178.212 176.094 -0.130 0.000 1.051 331 V CA 1.287 63.542 62.300 -0.074 0.000 1.036 331 V CB -0.450 31.329 31.823 -0.073 0.000 0.654 331 V HN 0.298 nan 8.190 nan 0.000 0.451 332 L N -0.154 120.965 121.223 -0.173 0.000 2.131 332 L HA -0.109 4.231 4.340 0.000 0.000 0.210 332 L C 2.535 179.373 176.870 -0.054 0.000 1.092 332 L CA 1.781 56.547 54.840 -0.123 0.000 0.759 332 L CB -0.984 40.874 42.059 -0.335 0.000 0.903 332 L HN 0.274 nan 8.230 nan 0.000 0.435 333 R N -1.526 118.877 120.500 -0.161 0.000 2.092 333 R HA -0.091 4.249 4.340 0.000 0.000 0.231 333 R C 2.158 178.084 176.300 -0.623 0.000 1.119 333 R CA 1.207 57.034 56.100 -0.455 0.000 0.970 333 R CB -0.316 29.516 30.300 -0.779 0.000 0.864 333 R HN 0.316 nan 8.270 nan 0.000 0.440 334 M N -0.136 119.280 119.600 -0.306 0.000 2.358 334 M HA -0.095 4.385 4.480 0.000 0.000 0.264 334 M C 1.838 178.140 176.300 0.003 0.000 1.064 334 M CA 1.356 56.673 55.300 0.028 0.000 1.093 334 M CB 0.098 32.753 32.600 0.093 0.000 1.401 334 M HN 0.189 nan 8.290 nan 0.000 0.440 335 A N -0.857 121.913 122.820 -0.083 0.000 2.348 335 A HA 0.136 4.456 4.320 0.000 0.000 0.224 335 A C 1.619 179.240 177.584 0.062 0.000 1.227 335 A CA 0.835 52.826 52.037 -0.078 0.000 0.885 335 A CB -0.233 18.553 19.000 -0.357 0.000 0.933 335 A HN 0.499 nan 8.150 nan 0.000 0.506 336 T N -4.032 110.548 114.554 0.043 0.000 3.422 336 T HA 0.112 4.462 4.350 0.000 0.000 0.179 336 T C 1.489 176.201 174.700 0.019 0.000 0.946 336 T CA 0.589 62.738 62.100 0.081 0.000 1.025 336 T CB -0.839 68.107 68.868 0.130 0.000 1.298 336 T HN 0.151 nan 8.240 nan 0.000 0.312 337 L N 1.028 122.211 121.223 -0.068 0.000 1.990 337 L HA -0.008 4.332 4.340 0.000 0.000 0.213 337 L C 2.458 179.404 176.870 0.127 0.000 1.072 337 L CA 2.080 56.891 54.840 -0.049 0.000 0.755 337 L CB -1.269 40.683 42.059 -0.179 0.000 0.889 337 L HN 0.444 nan 8.230 nan 0.000 0.432 338 Y N -0.216 120.134 120.300 0.084 0.000 2.114 338 Y HA -0.063 4.487 4.550 0.000 0.000 0.284 338 Y C -0.026 175.907 175.900 0.055 0.000 1.143 338 Y CA 0.706 58.889 58.100 0.139 0.000 1.135 338 Y CB -2.679 35.896 38.460 0.192 0.000 0.980 338 Y HN 0.291 nan 8.280 nan 0.000 0.499 339 P HA -0.135 nan 4.420 nan 0.000 0.216 339 P C 1.596 178.900 177.300 0.007 0.000 1.153 339 P CA 2.359 65.530 63.100 0.119 0.000 0.848 339 P CB -0.136 31.634 31.700 0.116 0.000 0.787 340 A N 0.272 123.107 122.820 0.025 0.000 1.883 340 A HA -0.246 4.074 4.320 0.000 0.000 0.217 340 A C 2.254 179.806 177.584 -0.053 0.000 1.186 340 A CA 1.688 53.719 52.037 -0.010 0.000 0.624 340 A CB -1.104 17.904 19.000 0.014 0.000 0.822 340 A HN 0.087 nan 8.150 nan 0.000 0.444 341 R N -0.709 119.762 120.500 -0.047 0.000 2.092 341 R HA -0.009 4.331 4.340 0.000 0.000 0.231 341 R C 2.460 178.551 176.300 -0.350 0.000 1.119 341 R CA 1.034 57.068 56.100 -0.110 0.000 0.970 341 R CB -0.502 29.810 30.300 0.020 0.000 0.864 341 R HN 0.516 nan 8.270 nan 0.000 0.440 342 A N 2.067 124.552 122.820 -0.559 0.000 1.940 342 A HA -0.137 4.183 4.320 0.000 0.000 0.219 342 A C 2.026 179.420 177.584 -0.316 0.000 1.176 342 A CA 1.464 53.082 52.037 -0.697 0.000 0.631 342 A CB -0.488 18.329 19.000 -0.306 0.000 0.814 342 A HN 0.484 nan 8.150 nan 0.000 0.446 343 I N -4.973 115.455 120.570 -0.235 0.000 3.914 343 I HA 0.527 4.697 4.170 0.000 0.000 0.333 343 I C 0.955 176.994 176.117 -0.130 0.000 1.449 343 I CA 0.308 61.491 61.300 -0.196 0.000 1.135 343 I CB -0.224 37.649 38.000 -0.211 0.000 1.073 343 I HN 0.309 nan 8.210 nan 0.000 0.401 344 G N 2.575 111.307 108.800 -0.114 0.000 2.273 344 G HA2 -0.251 3.709 3.960 0.000 0.000 0.280 344 G HA3 -0.251 3.709 3.960 0.000 0.000 0.280 344 G C 0.497 175.367 174.900 -0.050 0.000 1.047 344 G CA 0.484 45.542 45.100 -0.069 0.000 0.869 344 G HN 1.007 nan 8.290 nan 0.000 0.502 345 V N -2.304 117.581 119.914 -0.048 0.000 3.176 345 V HA 0.435 4.556 4.120 0.000 0.000 0.332 345 V C 1.735 177.820 176.094 -0.015 0.000 1.414 345 V CA 0.930 63.212 62.300 -0.031 0.000 1.133 345 V CB 0.813 32.616 31.823 -0.034 0.000 1.088 345 V HN 0.432 nan 8.190 nan 0.000 0.473 346 E N 1.634 121.828 120.200 -0.010 0.000 2.338 346 E HA -0.211 4.139 4.350 0.000 0.000 0.197 346 E C 1.471 178.077 176.600 0.010 0.000 1.007 346 E CA 1.159 57.563 56.400 0.007 0.000 0.849 346 E CB -0.253 29.461 29.700 0.023 0.000 0.774 346 E HN 0.679 nan 8.360 nan 0.000 0.506 347 K N 0.551 120.953 120.400 0.003 0.000 2.288 347 K HA -0.041 4.279 4.320 0.000 0.000 0.201 347 K C 2.158 178.758 176.600 -0.000 0.000 1.048 347 K CA 1.325 57.614 56.287 0.003 0.000 0.956 347 K CB 0.077 32.577 32.500 -0.001 0.000 0.746 347 K HN 0.271 nan 8.250 nan 0.000 0.461 348 R N -0.917 119.581 120.500 -0.002 0.000 2.469 348 R HA 0.264 4.604 4.340 0.000 0.000 0.250 348 R C 0.309 176.608 176.300 -0.001 0.000 0.909 348 R CA -0.135 55.963 56.100 -0.003 0.000 1.050 348 R CB 0.424 30.722 30.300 -0.004 0.000 1.256 348 R HN -0.089 nan 8.270 nan 0.000 0.550 349 L N -1.224 120.000 121.223 0.001 0.000 2.397 349 L HA 0.618 4.958 4.340 0.000 0.000 0.251 349 L C 0.393 177.266 176.870 0.004 0.000 1.064 349 L CA -0.465 54.379 54.840 0.005 0.000 0.859 349 L CB 2.274 44.340 42.059 0.011 0.000 1.468 349 L HN 0.231 nan 8.230 nan 0.000 0.411 350 G N 0.131 108.936 108.800 0.007 0.000 2.234 350 G HA2 -0.217 3.743 3.960 0.000 0.000 0.235 350 G HA3 -0.217 3.743 3.960 0.000 0.000 0.235 350 G C 0.131 175.001 174.900 -0.050 0.000 0.997 350 G CA 0.231 45.328 45.100 -0.003 0.000 0.623 350 G HN 0.922 nan 8.290 nan 0.000 0.514 351 T N -2.096 112.427 114.554 -0.051 0.000 2.883 351 T HA 0.668 5.018 4.350 0.000 0.000 0.301 351 T C -1.022 173.635 174.700 -0.072 0.000 1.158 351 T CA -0.840 61.202 62.100 -0.097 0.000 1.007 351 T CB 2.184 71.017 68.868 -0.059 0.000 1.186 351 T HN 0.584 nan 8.240 nan 0.000 0.499 352 L N 2.265 123.425 121.223 -0.106 0.000 2.352 352 L HA 0.786 5.126 4.340 0.000 0.000 0.272 352 L C 0.285 177.117 176.870 -0.064 0.000 1.109 352 L CA -0.068 54.725 54.840 -0.079 0.000 0.952 352 L CB -0.467 41.534 42.059 -0.096 0.000 1.314 352 L HN 1.110 nan 8.230 nan 0.000 0.427 353 A N 1.998 124.793 122.820 -0.041 0.000 2.556 353 A HA 0.900 5.220 4.320 0.000 0.000 0.294 353 A C -0.361 177.206 177.584 -0.029 0.000 1.091 353 A CA -0.403 51.615 52.037 -0.031 0.000 0.704 353 A CB 1.006 19.995 19.000 -0.017 0.000 1.300 353 A HN 0.552 nan 8.150 nan 0.000 0.406 354 A N -0.223 122.581 122.820 -0.027 0.000 2.567 354 A HA 0.463 4.783 4.320 0.000 0.000 0.240 354 A C 1.666 179.236 177.584 -0.023 0.000 1.053 354 A CA 1.375 53.395 52.037 -0.027 0.000 0.755 354 A CB -0.802 18.184 19.000 -0.024 0.000 0.978 354 A HN 2.853 nan 8.150 nan 0.000 0.507 355 G N 1.821 110.607 108.800 -0.024 0.000 2.299 355 G HA2 -0.228 3.732 3.960 0.000 0.000 0.237 355 G HA3 -0.228 3.732 3.960 0.000 0.000 0.237 355 G C 0.494 175.384 174.900 -0.017 0.000 1.027 355 G CA 0.495 45.583 45.100 -0.019 0.000 0.619 355 G HN 0.809 nan 8.290 nan 0.000 0.513 356 K N 0.922 121.312 120.400 -0.017 0.000 2.276 356 K HA 0.454 4.774 4.320 0.000 0.000 0.259 356 K C 0.966 177.558 176.600 -0.014 0.000 1.001 356 K CA -0.308 55.971 56.287 -0.014 0.000 0.927 356 K CB 1.112 33.604 32.500 -0.015 0.000 0.969 356 K HN 0.203 nan 8.250 nan 0.000 0.490 357 V N 1.514 121.423 119.914 -0.008 0.000 2.655 357 V HA -0.018 4.102 4.120 0.000 0.000 0.300 357 V C 0.799 176.890 176.094 -0.004 0.000 1.044 357 V CA -0.156 62.142 62.300 -0.003 0.000 1.095 357 V CB 0.854 32.680 31.823 0.005 0.000 0.952 357 V HN 0.802 nan 8.190 nan 0.000 0.485 358 A N 4.841 127.659 122.820 -0.002 0.000 3.037 358 A HA 0.334 4.654 4.320 0.000 0.000 0.272 358 A C 0.231 177.825 177.584 0.017 0.000 1.723 358 A CA -0.201 51.836 52.037 -0.001 0.000 1.413 358 A CB -1.032 17.964 19.000 -0.007 0.000 1.112 358 A HN 0.767 nan 8.150 nan 0.000 0.606 359 N N 0.994 119.701 118.700 0.013 0.000 2.483 359 N HA 0.695 5.435 4.740 0.000 0.000 0.267 359 N C -1.044 174.467 175.510 0.002 0.000 0.998 359 N CA -0.172 52.887 53.050 0.016 0.000 0.918 359 N CB 1.478 39.979 38.487 0.023 0.000 1.215 359 N HN 0.325 nan 8.380 nan 0.000 0.500 360 L N -0.124 121.095 121.223 -0.005 0.000 2.397 360 L HA 0.748 5.088 4.340 0.000 0.000 0.251 360 L C 0.241 177.076 176.870 -0.059 0.000 1.064 360 L CA -0.732 54.093 54.840 -0.024 0.000 0.859 360 L CB 1.778 43.838 42.059 0.002 0.000 1.468 360 L HN 0.285 nan 8.230 nan 0.000 0.411 361 T N -0.504 113.998 114.554 -0.086 0.000 2.894 361 T HA 0.901 5.251 4.350 0.000 0.000 0.309 361 T C -1.884 172.817 174.700 0.000 0.000 1.208 361 T CA -0.106 61.934 62.100 -0.099 0.000 1.016 361 T CB 1.616 70.295 68.868 -0.315 0.000 1.192 361 T HN 0.974 nan 8.240 nan 0.000 0.491 362 A N 2.986 125.831 122.820 0.042 0.000 2.401 362 A HA 0.961 5.281 4.320 0.000 0.000 0.310 362 A C -1.323 176.340 177.584 0.131 0.000 1.075 362 A CA -0.782 51.262 52.037 0.011 0.000 0.746 362 A CB 0.858 19.836 19.000 -0.035 0.000 1.277 362 A HN 1.037 nan 8.150 nan 0.000 0.425 363 F N -0.734 119.228 119.950 0.020 0.000 2.631 363 F HA 0.736 5.263 4.527 0.000 0.000 0.308 363 F C 0.214 175.990 175.800 -0.039 0.000 1.097 363 F CA -0.521 57.489 58.000 0.017 0.000 0.952 363 F CB 0.895 39.944 39.000 0.082 0.000 1.307 363 F HN 0.632 nan 8.300 nan 0.000 0.450 364 T N -1.352 113.267 114.554 0.109 0.000 2.813 364 T HA 0.321 4.671 4.350 0.000 0.000 0.297 364 T C -2.134 172.534 174.700 -0.053 0.000 1.036 364 T CA -1.516 60.573 62.100 -0.018 0.000 1.044 364 T CB 1.039 69.911 68.868 0.007 0.000 0.993 364 T HN 0.496 nan 8.240 nan 0.000 0.535 365 P HA -0.079 nan 4.420 nan 0.000 0.220 365 P C 0.903 177.958 177.300 -0.408 0.000 1.144 365 P CA 0.976 63.918 63.100 -0.265 0.000 0.800 365 P CB -0.058 31.536 31.700 -0.176 0.000 0.772 366 D N -1.754 118.533 120.400 -0.187 0.000 2.336 366 D HA -0.026 4.614 4.640 0.000 0.000 0.228 366 D C -0.066 176.330 176.300 0.160 0.000 1.120 366 D CA -0.527 53.462 54.000 -0.018 0.000 0.839 366 D CB -0.873 39.961 40.800 0.057 0.000 0.932 366 D HN 0.144 nan 8.370 nan 0.000 0.509 367 F N -0.302 119.742 119.950 0.158 0.000 3.043 367 F HA -0.213 4.314 4.527 0.000 0.000 0.290 367 F C 0.059 175.918 175.800 0.099 0.000 0.844 367 F CA 0.215 58.273 58.000 0.096 0.000 1.184 367 F CB -1.857 37.114 39.000 -0.048 0.000 1.246 367 F HN -0.034 nan 8.300 nan 0.000 0.536 368 K N 1.327 121.866 120.400 0.232 0.000 2.213 368 K HA 0.475 4.795 4.320 0.000 0.000 0.270 368 K C 0.336 177.057 176.600 0.201 0.000 1.002 368 K CA -0.737 55.657 56.287 0.177 0.000 0.868 368 K CB 1.420 33.990 32.500 0.117 0.000 1.093 368 K HN 0.003 nan 8.250 nan 0.000 0.454 369 I N 3.348 124.023 120.570 0.174 0.000 2.618 369 I HA -0.071 4.099 4.170 0.000 0.000 0.284 369 I C 1.711 177.893 176.117 0.108 0.000 1.146 369 I CA 0.651 62.050 61.300 0.164 0.000 1.425 369 I CB 0.201 38.269 38.000 0.114 0.000 1.383 369 I HN 0.706 nan 8.210 nan 0.000 0.562 370 T N 2.562 117.173 114.554 0.095 0.000 2.978 370 T HA 0.172 4.522 4.350 0.000 0.000 0.248 370 T C 0.591 175.311 174.700 0.032 0.000 1.018 370 T CA -0.108 62.022 62.100 0.050 0.000 1.026 370 T CB 0.756 69.643 68.868 0.030 0.000 1.032 370 T HN 0.567 nan 8.240 nan 0.000 0.485 371 K N 0.539 120.959 120.400 0.034 0.000 2.557 371 K HA 0.495 4.815 4.320 0.000 0.000 0.257 371 K C -1.928 174.678 176.600 0.010 0.000 0.933 371 K CA -0.416 55.882 56.287 0.018 0.000 0.820 371 K CB 2.364 34.872 32.500 0.013 0.000 1.330 371 K HN 0.048 nan 8.250 nan 0.000 0.432 372 T N 4.065 118.621 114.554 0.003 0.000 2.886 372 T HA 0.560 4.910 4.350 0.000 0.000 0.292 372 T C -0.738 173.966 174.700 0.006 0.000 1.012 372 T CA -0.571 61.523 62.100 -0.010 0.000 0.982 372 T CB 0.783 69.641 68.868 -0.017 0.000 1.018 372 T HN 0.423 nan 8.240 nan 0.000 0.451 373 I N 2.354 122.932 120.570 0.013 0.000 2.545 373 I HA 0.623 4.793 4.170 0.000 0.000 0.292 373 I C -0.949 175.189 176.117 0.035 0.000 1.040 373 I CA -1.161 60.163 61.300 0.040 0.000 1.068 373 I CB 2.282 40.328 38.000 0.078 0.000 1.251 373 I HN 0.250 nan 8.210 nan 0.000 0.424 374 V N 5.356 125.296 119.914 0.043 0.000 2.525 374 V HA 0.360 4.480 4.120 0.000 0.000 0.299 374 V C 0.122 176.246 176.094 0.050 0.000 1.034 374 V CA -0.718 61.608 62.300 0.043 0.000 0.863 374 V CB 1.561 33.410 31.823 0.043 0.000 0.999 374 V HN 0.889 nan 8.190 nan 0.000 0.423 375 N N 3.828 122.555 118.700 0.045 0.000 2.721 375 N HA -0.233 4.507 4.740 0.000 0.000 0.249 375 N C 1.216 176.760 175.510 0.056 0.000 1.072 375 N CA 1.613 54.688 53.050 0.042 0.000 0.710 375 N CB -0.919 37.592 38.487 0.040 0.000 0.993 375 N HN 1.579 nan 8.380 nan 0.000 0.547 376 G N -1.370 107.474 108.800 0.074 0.000 2.225 376 G HA2 -0.320 3.640 3.960 0.000 0.000 0.254 376 G HA3 -0.320 3.640 3.960 0.000 0.000 0.254 376 G C -0.034 174.980 174.900 0.190 0.000 0.988 376 G CA 0.329 45.508 45.100 0.133 0.000 0.625 376 G HN 0.477 nan 8.290 nan 0.000 0.527 377 N N 1.063 119.826 118.700 0.105 0.000 2.438 377 N HA 0.386 5.126 4.740 0.000 0.000 0.282 377 N C -0.269 175.266 175.510 0.041 0.000 1.037 377 N CA -0.270 52.818 53.050 0.064 0.000 0.942 377 N CB 1.612 40.123 38.487 0.041 0.000 1.136 377 N HN 0.575 nan 8.380 nan 0.000 0.481 378 E N 1.718 121.918 120.200 -0.001 0.000 2.104 378 E HA 0.100 4.450 4.350 0.000 0.000 0.278 378 E C 0.808 177.402 176.600 -0.010 0.000 1.127 378 E CA -0.407 55.986 56.400 -0.011 0.000 0.897 378 E CB 0.394 30.059 29.700 -0.059 0.000 1.043 378 E HN 0.463 nan 8.360 nan 0.000 0.410 379 V N 2.048 121.964 119.914 0.003 0.000 3.660 379 V HA 0.260 4.380 4.120 0.000 0.000 0.276 379 V C 0.245 176.339 176.094 0.001 0.000 1.317 379 V CA -0.258 62.044 62.300 0.003 0.000 1.097 379 V CB 0.534 32.364 31.823 0.011 0.000 0.863 379 V HN 0.310 nan 8.190 nan 0.000 0.438 380 V N 0.611 120.526 119.914 0.000 0.000 2.623 380 V HA 0.625 4.746 4.120 0.000 0.000 0.304 380 V C -0.572 175.523 176.094 0.002 0.000 1.054 380 V CA 0.017 62.319 62.300 0.003 0.000 0.882 380 V CB 2.034 33.862 31.823 0.007 0.000 1.002 380 V HN 0.425 nan 8.190 nan 0.000 0.424 381 T N 5.163 119.718 114.554 0.001 0.000 2.965 381 T HA 0.630 4.980 4.350 0.000 0.000 0.306 381 T C -0.856 173.847 174.700 0.006 0.000 0.991 381 T CA -0.642 61.458 62.100 -0.001 0.000 1.001 381 T CB 1.383 70.244 68.868 -0.011 0.000 0.984 381 T HN 0.581 nan 8.240 nan 0.000 0.446 382 Q N 0.000 119.808 119.800 0.013 0.000 2.315 382 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 382 Q CA 0.000 55.813 55.803 0.018 0.000 1.022 382 Q CB 0.000 28.755 28.738 0.028 0.000 1.108 382 Q HN 0.000 nan 8.270 nan 0.000 0.481