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 1h2b_1_A DATA FIRST_RESID 17 DATA SEQUENCE KAARLHEYNK PLRIEDVDYP RLEGRFDVIV RIAGAGVCHT DLHLVQGMWH DATA SEQUENCE ELLQPKLPYT LGHENVGYIE EVAEGVEGLE KGDPVILHPA VTDGTCLACR DATA SEQUENCE AGEDMHCENL EFPGLNIDGG FAEFMRTSHR SVIKLPKDIS REKLVEMAPL DATA SEQUENCE ADAGITAYRA VKKAARTLYP GAYVAIVGVG GLGHIAVQLL KVMTPATVIA DATA SEQUENCE LDVKEEKLKL AERLGADHVV DARRDPVKQV MELTRGRGVN VAMDFVGSQA DATA SEQUENCE TVDYTPYLLG RMGRLIIVGY GGELRFPTIR VISSEVSFEG SLVGNYVELH DATA SEQUENCE ELVTLALQGK VRVEVDIHKL DEINDVLERL EKGEVLGRAV LIP 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 17 K HA 0.000 nan 4.320 nan 0.000 0.191 17 K C 0.000 176.651 176.600 0.085 0.000 0.988 17 K CA 0.000 56.336 56.287 0.081 0.000 0.838 17 K CB 0.000 32.533 32.500 0.056 0.000 1.064 18 A N 0.815 123.682 122.820 0.078 0.000 2.594 18 A HA 0.800 5.120 4.320 -0.001 0.000 0.296 18 A C -1.833 175.802 177.584 0.085 0.000 1.061 18 A CA -0.390 51.702 52.037 0.092 0.000 0.689 18 A CB 1.585 20.642 19.000 0.094 0.000 1.280 18 A HN 0.693 nan 8.150 nan 0.000 0.406 19 A N 1.854 124.741 122.820 0.112 0.000 2.253 19 A HA 0.726 5.045 4.320 -0.001 0.000 0.316 19 A C 0.085 177.728 177.584 0.099 0.000 1.327 19 A CA -0.436 51.650 52.037 0.082 0.000 0.917 19 A CB 0.213 19.220 19.000 0.013 0.000 1.162 19 A HN 0.716 nan 8.150 nan 0.000 0.535 20 R N 1.997 122.538 120.500 0.069 0.000 2.670 20 R HA 0.497 4.837 4.340 -0.001 0.000 0.289 20 R C -1.163 175.137 176.300 0.001 0.000 0.965 20 R CA -0.783 55.325 56.100 0.014 0.000 0.899 20 R CB 2.237 32.552 30.300 0.024 0.000 1.173 20 R HN 0.681 nan 8.270 nan 0.000 0.456 21 L N 3.986 125.087 121.223 -0.203 0.000 2.268 21 L HA 0.223 4.563 4.340 -0.001 0.000 0.289 21 L C 0.615 177.352 176.870 -0.222 0.000 1.064 21 L CA -0.098 54.605 54.840 -0.228 0.000 0.824 21 L CB 0.231 42.036 42.059 -0.423 0.000 1.202 21 L HN 0.732 nan 8.230 nan 0.000 0.433 22 H N 3.359 122.324 119.070 -0.175 0.000 2.439 22 H HA 0.200 4.755 4.556 -0.001 0.000 0.299 22 H C -0.285 174.933 175.328 -0.183 0.000 1.033 22 H CA 0.339 56.309 56.048 -0.130 0.000 1.348 22 H CB 0.912 30.629 29.762 -0.075 0.000 1.449 22 H HN 0.624 nan 8.280 nan 0.000 0.544 23 E N 0.188 120.345 120.200 -0.072 0.000 2.340 23 E HA 0.274 4.624 4.350 -0.001 0.000 0.273 23 E C -1.472 175.021 176.600 -0.178 0.000 0.891 23 E CA -0.648 55.666 56.400 -0.143 0.000 0.757 23 E CB 1.956 31.643 29.700 -0.022 0.000 1.231 23 E HN 0.116 nan 8.360 nan 0.000 0.439 24 Y N 1.405 121.721 120.300 0.026 0.000 2.336 24 Y HA 0.061 4.611 4.550 -0.000 0.000 0.331 24 Y C 1.082 176.994 175.900 0.020 0.000 1.211 24 Y CA -0.091 58.024 58.100 0.025 0.000 1.346 24 Y CB 0.483 38.945 38.460 0.003 0.000 1.271 24 Y HN 0.590 nan 8.280 nan 0.000 0.538 25 N N 0.385 119.207 118.700 0.204 0.000 2.741 25 N HA -0.202 4.537 4.740 -0.001 0.000 0.251 25 N C -0.967 174.581 175.510 0.063 0.000 1.112 25 N CA 0.905 54.022 53.050 0.112 0.000 0.750 25 N CB -0.623 37.921 38.487 0.095 0.000 1.119 25 N HN 0.482 nan 8.380 nan 0.000 0.561 26 K N 0.126 120.555 120.400 0.049 0.000 2.350 26 K HA 0.576 4.896 4.320 -0.001 0.000 0.241 26 K C -2.267 174.335 176.600 0.003 0.000 0.994 26 K CA -1.624 54.672 56.287 0.015 0.000 0.839 26 K CB 0.843 33.344 32.500 0.001 0.000 1.244 26 K HN -0.191 nan 8.250 nan 0.000 0.443 27 P HA 0.094 nan 4.420 nan 0.000 0.267 27 P C -0.239 177.044 177.300 -0.028 0.000 1.200 27 P CA -0.093 62.990 63.100 -0.028 0.000 0.772 27 P CB 0.362 32.039 31.700 -0.038 0.000 0.855 28 L N 2.442 123.646 121.223 -0.032 0.000 2.461 28 L HA 0.185 4.524 4.340 -0.001 0.000 0.272 28 L C 1.222 178.077 176.870 -0.024 0.000 1.197 28 L CA -0.070 54.758 54.840 -0.020 0.000 0.836 28 L CB 0.044 42.088 42.059 -0.026 0.000 1.105 28 L HN 0.265 nan 8.230 nan 0.000 0.477 29 R N 2.823 123.325 120.500 0.003 0.000 2.254 29 R HA 0.437 4.776 4.340 -0.001 0.000 0.318 29 R C -0.891 175.412 176.300 0.006 0.000 1.031 29 R CA -0.708 55.374 56.100 -0.029 0.000 0.905 29 R CB 1.010 31.243 30.300 -0.113 0.000 1.050 29 R HN 0.404 nan 8.270 nan 0.000 0.456 30 I N 3.660 124.221 120.570 -0.014 0.000 2.297 30 I HA 0.106 4.276 4.170 -0.001 0.000 0.291 30 I C 0.458 176.581 176.117 0.009 0.000 1.033 30 I CA 0.343 61.643 61.300 -0.000 0.000 1.253 30 I CB 0.639 38.628 38.000 -0.019 0.000 1.396 30 I HN 0.660 nan 8.210 nan 0.000 0.476 31 E N 3.441 123.662 120.200 0.035 0.000 2.456 31 E HA 0.451 4.801 4.350 -0.001 0.000 0.278 31 E C -1.615 175.020 176.600 0.058 0.000 1.034 31 E CA -1.018 55.406 56.400 0.041 0.000 0.846 31 E CB 0.966 30.696 29.700 0.050 0.000 1.460 31 E HN 0.154 nan 8.360 nan 0.000 0.463 32 D N 0.583 121.017 120.400 0.058 0.000 2.304 32 D HA 0.397 5.037 4.640 -0.001 0.000 0.250 32 D C -0.434 175.912 176.300 0.076 0.000 1.107 32 D CA -0.043 53.997 54.000 0.068 0.000 0.885 32 D CB 1.643 42.478 40.800 0.058 0.000 1.192 32 D HN 0.467 nan 8.370 nan 0.000 0.436 33 V N -0.660 119.306 119.914 0.087 0.000 3.074 33 V HA 0.560 4.679 4.120 -0.001 0.000 0.314 33 V C -0.296 175.852 176.094 0.091 0.000 1.117 33 V CA -1.082 61.266 62.300 0.081 0.000 1.014 33 V CB 2.048 33.916 31.823 0.075 0.000 1.057 33 V HN 0.280 nan 8.190 nan 0.000 0.438 34 D N 0.757 121.202 120.400 0.075 0.000 2.399 34 D HA 0.155 4.794 4.640 -0.001 0.000 0.241 34 D C -0.347 176.023 176.300 0.117 0.000 1.133 34 D CA 0.276 54.330 54.000 0.091 0.000 0.890 34 D CB 0.669 41.508 40.800 0.065 0.000 1.201 34 D HN 0.745 nan 8.370 nan 0.000 0.432 35 Y N 1.782 122.078 120.300 -0.006 0.000 2.811 35 Y HA 0.033 4.582 4.550 -0.000 0.000 0.334 35 Y C -1.829 174.046 175.900 -0.043 0.000 1.247 35 Y CA -0.905 57.164 58.100 -0.051 0.000 1.526 35 Y CB 0.024 38.401 38.460 -0.138 0.000 1.284 35 Y HN 0.201 nan 8.280 nan 0.000 0.586 36 P HA 0.170 nan 4.420 nan 0.000 0.269 36 P C -1.041 176.117 177.300 -0.238 0.000 1.215 36 P CA -0.128 62.774 63.100 -0.331 0.000 0.780 36 P CB 0.518 32.004 31.700 -0.357 0.000 0.898 37 R N 1.871 122.303 120.500 -0.114 0.000 2.265 37 R HA 0.370 4.710 4.340 -0.001 0.000 0.319 37 R C -0.306 175.993 176.300 -0.002 0.000 1.006 37 R CA -0.783 55.303 56.100 -0.024 0.000 0.880 37 R CB 0.325 30.620 30.300 -0.008 0.000 1.077 37 R HN 0.484 nan 8.270 nan 0.000 0.454 38 L N 3.594 124.842 121.223 0.043 0.000 2.462 38 L HA 0.199 4.539 4.340 -0.001 0.000 0.272 38 L C 0.273 177.201 176.870 0.096 0.000 1.166 38 L CA 0.816 55.706 54.840 0.083 0.000 0.880 38 L CB 0.305 42.411 42.059 0.078 0.000 1.142 38 L HN 0.655 nan 8.230 nan 0.000 0.473 39 E N 2.424 122.716 120.200 0.152 0.000 2.478 39 E HA 0.399 4.749 4.350 -0.001 0.000 0.293 39 E C 0.088 176.806 176.600 0.195 0.000 1.011 39 E CA 0.138 56.628 56.400 0.151 0.000 0.834 39 E CB 1.427 31.210 29.700 0.138 0.000 1.226 39 E HN 0.664 nan 8.360 nan 0.000 0.419 40 G N 4.486 113.346 108.800 0.100 0.000 2.611 40 G HA2 -0.428 3.532 3.960 -0.001 0.000 0.301 40 G HA3 -0.428 3.532 3.960 -0.001 0.000 0.301 40 G C 0.707 175.571 174.900 -0.060 0.000 1.233 40 G CA 0.743 45.863 45.100 0.035 0.000 0.993 40 G HN 0.758 nan 8.290 nan 0.000 0.553 41 R N 0.452 120.794 120.500 -0.264 0.000 2.316 41 R HA 0.171 4.511 4.340 -0.001 0.000 0.202 41 R C 0.568 176.589 176.300 -0.464 0.000 1.029 41 R CA 0.947 56.802 56.100 -0.409 0.000 1.018 41 R CB -0.269 29.703 30.300 -0.546 0.000 0.888 41 R HN 0.344 nan 8.270 nan 0.000 0.471 42 F N 3.357 123.309 119.950 0.002 0.000 2.451 42 F HA 0.152 4.678 4.527 -0.001 0.000 0.356 42 F C 0.155 175.967 175.800 0.020 0.000 1.178 42 F CA -0.992 57.010 58.000 0.003 0.000 1.210 42 F CB 0.824 39.819 39.000 -0.009 0.000 1.504 42 F HN 0.114 nan 8.300 nan 0.000 0.598 43 D N 0.202 120.693 120.400 0.151 0.000 2.440 43 D HA 0.172 4.811 4.640 -0.001 0.000 0.216 43 D C -0.162 176.212 176.300 0.124 0.000 1.150 43 D CA 0.169 54.245 54.000 0.127 0.000 0.832 43 D CB 0.178 41.049 40.800 0.119 0.000 0.992 43 D HN 0.152 nan 8.370 nan 0.000 0.502 44 V N 0.807 120.803 119.914 0.136 0.000 2.686 44 V HA 0.405 4.525 4.120 -0.001 0.000 0.306 44 V C -0.499 175.655 176.094 0.100 0.000 1.065 44 V CA -0.837 61.533 62.300 0.117 0.000 0.894 44 V CB 2.406 34.303 31.823 0.123 0.000 1.004 44 V HN 0.027 nan 8.190 nan 0.000 0.424 45 I N 4.282 124.903 120.570 0.085 0.000 2.378 45 I HA 0.534 4.704 4.170 -0.001 0.000 0.291 45 I C -0.588 175.610 176.117 0.135 0.000 0.992 45 I CA -0.769 60.568 61.300 0.061 0.000 1.154 45 I CB 2.014 39.992 38.000 -0.037 0.000 1.315 45 I HN 0.276 nan 8.210 nan 0.000 0.448 46 V N 6.492 126.492 119.914 0.143 0.000 2.483 46 V HA 0.397 4.517 4.120 -0.001 0.000 0.295 46 V C 0.231 176.463 176.094 0.231 0.000 1.035 46 V CA -0.800 61.599 62.300 0.164 0.000 0.896 46 V CB 1.863 33.734 31.823 0.080 0.000 0.986 46 V HN 0.664 nan 8.190 nan 0.000 0.447 47 R N 4.783 125.428 120.500 0.241 0.000 2.210 47 R HA 0.320 4.660 4.340 -0.001 0.000 0.338 47 R C -0.447 175.847 176.300 -0.011 0.000 1.062 47 R CA -0.610 55.511 56.100 0.035 0.000 0.902 47 R CB 0.277 30.664 30.300 0.145 0.000 1.050 47 R HN 0.562 nan 8.270 nan 0.000 0.461 48 I N 4.453 124.950 120.570 -0.121 0.000 2.618 48 I HA -0.052 4.118 4.170 -0.001 0.000 0.284 48 I C 1.148 177.245 176.117 -0.034 0.000 1.146 48 I CA 0.583 61.842 61.300 -0.069 0.000 1.425 48 I CB 0.935 38.896 38.000 -0.065 0.000 1.383 48 I HN 0.821 nan 8.210 nan 0.000 0.562 49 A N 5.491 128.291 122.820 -0.034 0.000 1.993 49 A HA 0.488 4.808 4.320 -0.001 0.000 0.207 49 A C 0.978 178.556 177.584 -0.010 0.000 1.224 49 A CA 0.679 52.718 52.037 0.002 0.000 0.749 49 A CB 0.198 19.158 19.000 -0.066 0.000 0.884 49 A HN 0.781 nan 8.150 nan 0.000 0.467 50 G N -1.228 107.555 108.800 -0.029 0.000 2.753 50 G HA2 0.606 4.565 3.960 -0.001 0.000 0.297 50 G HA3 0.606 4.565 3.960 -0.001 0.000 0.297 50 G C -1.110 173.793 174.900 0.005 0.000 1.430 50 G CA 0.297 45.393 45.100 -0.006 0.000 1.040 50 G HN 0.963 nan 8.290 nan 0.000 0.530 51 A N 1.268 124.126 122.820 0.062 0.000 2.410 51 A HA 0.827 5.146 4.320 -0.001 0.000 0.289 51 A C 0.538 178.224 177.584 0.170 0.000 1.200 51 A CA 0.011 52.107 52.037 0.098 0.000 0.751 51 A CB 0.946 20.082 19.000 0.227 0.000 1.161 51 A HN 1.633 nan 8.150 nan 0.000 0.459 52 G N 0.680 109.518 108.800 0.063 0.000 2.491 52 G HA2 0.464 4.423 3.960 -0.001 0.000 0.242 52 G HA3 0.464 4.423 3.960 -0.001 0.000 0.242 52 G C -0.286 174.705 174.900 0.152 0.000 1.266 52 G CA -0.081 45.060 45.100 0.068 0.000 0.844 52 G HN 0.872 nan 8.290 nan 0.000 0.571 53 V N 1.613 121.616 119.914 0.148 0.000 2.370 53 V HA 0.363 4.483 4.120 -0.001 0.000 0.283 53 V C 0.269 176.422 176.094 0.099 0.000 1.023 53 V CA -0.937 61.478 62.300 0.193 0.000 0.857 53 V CB 0.951 32.813 31.823 0.065 0.000 0.985 53 V HN 0.921 nan 8.190 nan 0.000 0.443 54 C N 3.543 122.910 119.300 0.112 0.000 2.397 54 C HA 0.475 4.935 4.460 -0.001 0.000 0.343 54 C C 1.869 176.954 174.990 0.158 0.000 1.188 54 C CA -0.302 58.801 59.018 0.141 0.000 1.992 54 C CB 1.052 28.909 27.740 0.195 0.000 2.358 54 C HN 1.078 nan 8.230 nan 0.000 0.518 55 H N 0.987 120.085 119.070 0.048 0.000 2.489 55 H HA -0.074 4.481 4.556 -0.001 0.000 0.293 55 H C 1.857 177.080 175.328 -0.175 0.000 1.066 55 H CA 2.359 58.348 56.048 -0.098 0.000 1.305 55 H CB 0.451 30.125 29.762 -0.147 0.000 1.386 55 H HN 0.810 nan 8.280 nan 0.000 0.551 56 T N 0.123 114.832 114.554 0.259 0.000 2.803 56 T HA -0.156 4.194 4.350 -0.001 0.000 0.269 56 T C 1.300 176.225 174.700 0.376 0.000 1.052 56 T CA 1.413 63.770 62.100 0.429 0.000 1.136 56 T CB -0.181 68.983 68.868 0.492 0.000 0.864 56 T HN 0.487 nan 8.240 nan 0.000 0.467 57 D N 1.030 121.613 120.400 0.305 0.000 2.144 57 D HA -0.011 4.629 4.640 -0.001 0.000 0.199 57 D C 2.126 178.532 176.300 0.178 0.000 0.984 57 D CA 0.732 54.897 54.000 0.275 0.000 0.834 57 D CB -0.259 40.718 40.800 0.294 0.000 0.955 57 D HN 0.356 nan 8.370 nan 0.000 0.465 58 L N 0.508 121.749 121.223 0.030 0.000 2.046 58 L HA -0.179 4.160 4.340 -0.001 0.000 0.208 58 L C 2.494 179.456 176.870 0.153 0.000 1.077 58 L CA 1.019 55.845 54.840 -0.024 0.000 0.747 58 L CB -0.485 41.398 42.059 -0.293 0.000 0.896 58 L HN 0.109 nan 8.230 nan 0.000 0.432 59 H N -0.088 119.141 119.070 0.265 0.000 2.387 59 H HA -0.110 4.446 4.556 -0.001 0.000 0.299 59 H C 2.360 177.907 175.328 0.365 0.000 1.090 59 H CA 1.239 57.466 56.048 0.299 0.000 1.332 59 H CB -0.363 29.639 29.762 0.400 0.000 1.386 59 H HN 0.276 nan 8.280 nan 0.000 0.516 60 L N -0.298 121.259 121.223 0.557 0.000 1.994 60 L HA -0.159 4.181 4.340 -0.001 0.000 0.208 60 L C 2.642 179.791 176.870 0.466 0.000 1.071 60 L CA 0.857 56.013 54.840 0.527 0.000 0.745 60 L CB -0.502 41.809 42.059 0.419 0.000 0.892 60 L HN 0.062 nan 8.230 nan 0.000 0.431 61 V N -0.535 119.584 119.914 0.341 0.000 2.392 61 V HA -0.328 3.792 4.120 -0.001 0.000 0.249 61 V C 2.349 178.650 176.094 0.345 0.000 1.059 61 V CA 1.717 64.202 62.300 0.308 0.000 1.051 61 V CB -0.550 31.371 31.823 0.163 0.000 0.658 61 V HN 0.512 nan 8.190 nan 0.000 0.455 62 Q N -0.483 119.468 119.800 0.252 0.000 2.437 62 Q HA 0.055 4.394 4.340 -0.001 0.000 0.210 62 Q C 1.769 177.796 176.000 0.045 0.000 0.972 62 Q CA 0.869 56.768 55.803 0.161 0.000 0.903 62 Q CB 0.044 28.878 28.738 0.159 0.000 0.967 62 Q HN 0.787 nan 8.270 nan 0.000 0.486 63 G N 0.297 109.090 108.800 -0.011 0.000 2.157 63 G HA2 -0.337 3.623 3.960 -0.001 0.000 0.239 63 G HA3 -0.337 3.623 3.960 -0.001 0.000 0.239 63 G C 0.580 175.382 174.900 -0.162 0.000 0.982 63 G CA 0.390 45.220 45.100 -0.450 0.000 0.650 63 G HN 0.358 nan 8.290 nan 0.000 0.527 64 M N -1.066 118.528 119.600 -0.010 0.000 2.267 64 M HA 0.052 4.532 4.480 -0.001 0.000 0.263 64 M C 1.824 177.983 176.300 -0.234 0.000 1.063 64 M CA 1.959 57.180 55.300 -0.131 0.000 1.090 64 M CB -0.102 32.402 32.600 -0.160 0.000 1.392 64 M HN 0.466 nan 8.290 nan 0.000 0.422 65 W N -1.989 119.341 121.300 0.050 0.000 3.278 65 W HA 0.078 4.738 4.660 -0.001 0.000 0.308 65 W C 1.831 178.375 176.519 0.041 0.000 1.253 65 W CA -0.132 57.233 57.345 0.034 0.000 1.759 65 W CB -0.223 29.276 29.460 0.065 0.000 1.093 65 W HN 0.328 nan 8.180 nan 0.000 0.648 66 H N 0.859 119.979 119.070 0.085 0.000 2.319 66 H HA -0.182 4.373 4.556 -0.001 0.000 0.299 66 H C 1.917 177.273 175.328 0.048 0.000 1.092 66 H CA 2.566 58.639 56.048 0.042 0.000 1.302 66 H CB 0.117 29.788 29.762 -0.153 0.000 1.373 66 H HN 0.133 nan 8.280 nan 0.000 0.497 67 E N -0.406 119.803 120.200 0.015 0.000 2.051 67 E HA -0.146 4.204 4.350 -0.001 0.000 0.192 67 E C 2.235 178.810 176.600 -0.041 0.000 0.991 67 E CA 1.291 57.666 56.400 -0.041 0.000 0.799 67 E CB -0.047 29.634 29.700 -0.033 0.000 0.748 67 E HN 0.449 nan 8.360 nan 0.000 0.449 68 L N -0.105 121.123 121.223 0.008 0.000 2.341 68 L HA -0.095 4.245 4.340 -0.001 0.000 0.214 68 L C 1.696 178.610 176.870 0.074 0.000 1.115 68 L CA 0.200 55.069 54.840 0.049 0.000 0.820 68 L CB 0.207 42.321 42.059 0.091 0.000 0.944 68 L HN 0.162 nan 8.230 nan 0.000 0.452 69 L N -1.733 119.541 121.223 0.085 0.000 2.577 69 L HA 0.157 4.497 4.340 -0.001 0.000 0.225 69 L C 1.002 177.851 176.870 -0.036 0.000 1.053 69 L CA 0.580 55.444 54.840 0.040 0.000 0.866 69 L CB -0.160 41.947 42.059 0.080 0.000 1.132 69 L HN 0.124 nan 8.230 nan 0.000 0.486 70 Q N 1.015 120.757 119.800 -0.098 0.000 2.423 70 Q HA -0.170 4.170 4.340 -0.001 0.000 0.332 70 Q C -2.096 173.860 176.000 -0.073 0.000 1.355 70 Q CA -0.093 55.601 55.803 -0.181 0.000 0.947 70 Q CB -0.856 27.787 28.738 -0.157 0.000 1.189 70 Q HN 0.273 nan 8.270 nan 0.000 0.418 71 P HA 0.157 nan 4.420 nan 0.000 0.279 71 P C -0.761 176.543 177.300 0.007 0.000 1.252 71 P CA -0.223 62.822 63.100 -0.092 0.000 0.811 71 P CB 0.855 32.374 31.700 -0.302 0.000 1.035 72 K N 1.953 122.331 120.400 -0.037 0.000 2.339 72 K HA 0.301 4.620 4.320 -0.001 0.000 0.286 72 K C 0.150 176.816 176.600 0.109 0.000 1.050 72 K CA -0.277 56.031 56.287 0.035 0.000 0.956 72 K CB 0.339 32.843 32.500 0.006 0.000 0.990 72 K HN 0.459 nan 8.250 nan 0.000 0.475 73 L N 4.807 126.104 121.223 0.124 0.000 2.343 73 L HA 0.407 4.746 4.340 -0.001 0.000 0.275 73 L C -1.475 175.381 176.870 -0.023 0.000 1.056 73 L CA -2.034 52.858 54.840 0.086 0.000 0.804 73 L CB 0.665 42.735 42.059 0.019 0.000 1.203 73 L HN 0.480 nan 8.230 nan 0.000 0.440 74 P HA 0.379 nan 4.420 nan 0.000 0.278 74 P C -1.664 175.641 177.300 0.010 0.000 1.266 74 P CA -0.283 62.660 63.100 -0.262 0.000 0.807 74 P CB 1.009 32.211 31.700 -0.831 0.000 1.094 75 Y N -3.950 116.267 120.300 -0.139 0.000 2.609 75 Y HA 0.553 5.103 4.550 -0.001 0.000 0.336 75 Y C -0.782 175.107 175.900 -0.018 0.000 1.129 75 Y CA -1.106 56.954 58.100 -0.066 0.000 1.040 75 Y CB 0.515 38.955 38.460 -0.034 0.000 1.310 75 Y HN 0.152 nan 8.280 nan 0.000 0.460 76 T N 3.998 118.605 114.554 0.088 0.000 2.832 76 T HA 0.405 4.754 4.350 -0.001 0.000 0.296 76 T C -0.125 174.612 174.700 0.061 0.000 0.968 76 T CA -0.308 61.821 62.100 0.048 0.000 1.107 76 T CB 0.531 69.444 68.868 0.075 0.000 0.916 76 T HN 0.450 nan 8.240 nan 0.000 0.517 77 L N 1.960 123.217 121.223 0.058 0.000 2.490 77 L HA 0.701 5.041 4.340 -0.001 0.000 0.245 77 L C 1.047 177.649 176.870 -0.447 0.000 1.185 77 L CA 0.369 55.226 54.840 0.029 0.000 0.813 77 L CB 0.298 42.503 42.059 0.243 0.000 1.233 77 L HN 0.965 nan 8.230 nan 0.000 0.489 78 G N -0.078 108.257 108.800 -0.775 0.000 3.152 78 G HA2 0.001 3.960 3.960 -0.001 0.000 0.666 78 G HA3 0.001 3.960 3.960 -0.001 0.000 0.666 78 G C -0.395 174.222 174.900 -0.471 0.000 1.205 78 G CA -0.116 44.146 45.100 -1.396 0.000 1.178 78 G HN 1.055 nan 8.290 nan 0.000 0.510 79 H N 0.558 119.457 119.070 -0.284 0.000 2.662 79 H HA 0.417 4.973 4.556 -0.001 0.000 0.268 79 H C 0.093 175.354 175.328 -0.112 0.000 1.152 79 H CA 0.193 56.171 56.048 -0.115 0.000 1.072 79 H CB 1.178 31.021 29.762 0.135 0.000 1.660 79 H HN 0.515 nan 8.280 nan 0.000 0.584 80 E N 1.884 121.908 120.200 -0.293 0.000 3.037 80 E HA 0.210 4.560 4.350 -0.001 0.000 0.220 80 E C -1.115 175.406 176.600 -0.132 0.000 1.142 80 E CA -0.525 55.761 56.400 -0.190 0.000 0.888 80 E CB 0.398 29.973 29.700 -0.208 0.000 1.329 80 E HN 0.266 nan 8.360 nan 0.000 0.409 81 N N 1.982 120.613 118.700 -0.116 0.000 2.284 81 N HA 0.363 5.103 4.740 -0.001 0.000 0.300 81 N C -0.751 174.706 175.510 -0.088 0.000 1.047 81 N CA -0.459 52.533 53.050 -0.096 0.000 0.821 81 N CB 2.229 40.658 38.487 -0.097 0.000 1.337 81 N HN 0.190 nan 8.380 nan 0.000 0.482 82 V N -1.737 118.121 119.914 -0.092 0.000 3.001 82 V HA 1.080 5.200 4.120 -0.001 0.000 0.314 82 V C 0.432 176.432 176.094 -0.157 0.000 1.099 82 V CA -0.545 61.680 62.300 -0.125 0.000 0.989 82 V CB 1.508 33.248 31.823 -0.139 0.000 1.040 82 V HN 0.807 nan 8.190 nan 0.000 0.434 83 G N 0.829 109.482 108.800 -0.244 0.000 2.364 83 G HA2 0.513 4.473 3.960 -0.001 0.000 0.286 83 G HA3 0.513 4.473 3.960 -0.001 0.000 0.286 83 G C -2.355 172.258 174.900 -0.478 0.000 1.241 83 G CA -0.657 44.258 45.100 -0.307 0.000 0.887 83 G HN 0.823 nan 8.290 nan 0.000 0.484 84 Y N -0.167 120.148 120.300 0.024 0.000 2.462 84 Y HA 0.573 5.123 4.550 -0.000 0.000 0.346 84 Y C 0.602 176.546 175.900 0.074 0.000 0.976 84 Y CA -1.143 56.983 58.100 0.044 0.000 1.044 84 Y CB 1.850 40.337 38.460 0.043 0.000 1.230 84 Y HN 0.270 nan 8.280 nan 0.000 0.455 85 I N 2.381 123.082 120.570 0.219 0.000 2.752 85 I HA -0.081 4.089 4.170 -0.001 0.000 0.289 85 I C 1.008 177.249 176.117 0.207 0.000 1.197 85 I CA 0.628 62.034 61.300 0.177 0.000 1.432 85 I CB 1.021 39.102 38.000 0.136 0.000 1.359 85 I HN 0.855 nan 8.210 nan 0.000 0.571 86 E N 5.107 125.438 120.200 0.217 0.000 2.175 86 E HA 0.125 4.474 4.350 -0.001 0.000 0.195 86 E C 0.141 176.840 176.600 0.166 0.000 0.934 86 E CA 0.703 57.247 56.400 0.240 0.000 0.870 86 E CB 0.636 30.559 29.700 0.372 0.000 0.838 86 E HN 0.645 nan 8.360 nan 0.000 0.474 87 E N -0.412 119.876 120.200 0.146 0.000 2.375 87 E HA 0.422 4.772 4.350 -0.001 0.000 0.280 87 E C -1.762 174.896 176.600 0.097 0.000 0.972 87 E CA -0.674 55.793 56.400 0.113 0.000 0.782 87 E CB 2.216 31.996 29.700 0.134 0.000 1.229 87 E HN 0.031 nan 8.360 nan 0.000 0.439 88 V N -0.561 119.398 119.914 0.075 0.000 3.007 88 V HA 0.928 5.048 4.120 -0.001 0.000 0.311 88 V C -0.276 175.847 176.094 0.049 0.000 1.120 88 V CA -0.615 61.724 62.300 0.066 0.000 0.980 88 V CB 1.375 33.232 31.823 0.056 0.000 1.033 88 V HN 0.828 nan 8.190 nan 0.000 0.429 89 A N 1.504 124.352 122.820 0.046 0.000 2.466 89 A HA 0.475 4.794 4.320 -0.001 0.000 0.238 89 A C 0.336 177.924 177.584 0.007 0.000 1.074 89 A CA 0.115 52.170 52.037 0.030 0.000 0.774 89 A CB -0.140 18.880 19.000 0.034 0.000 1.015 89 A HN 1.128 nan 8.150 nan 0.000 0.498 90 E N -0.134 120.069 120.200 0.004 0.000 2.452 90 E HA 0.371 4.721 4.350 -0.001 0.000 0.261 90 E C 1.250 177.835 176.600 -0.026 0.000 0.987 90 E CA 1.818 58.213 56.400 -0.008 0.000 0.926 90 E CB 0.160 29.857 29.700 -0.004 0.000 0.934 90 E HN 1.429 nan 8.360 nan 0.000 0.452 91 G N 2.351 111.127 108.800 -0.040 0.000 2.234 91 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.235 91 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.235 91 G C 0.046 174.875 174.900 -0.119 0.000 0.997 91 G CA -0.031 45.029 45.100 -0.066 0.000 0.623 91 G HN 0.543 nan 8.290 nan 0.000 0.514 92 V N 2.372 122.216 119.914 -0.117 0.000 2.479 92 V HA 0.388 4.508 4.120 -0.001 0.000 0.281 92 V C 0.711 176.738 176.094 -0.112 0.000 1.031 92 V CA 0.165 62.359 62.300 -0.177 0.000 1.038 92 V CB 1.512 33.279 31.823 -0.093 0.000 0.981 92 V HN 0.401 nan 8.190 nan 0.000 0.478 93 E N 3.235 123.354 120.200 -0.135 0.000 2.214 93 E HA 0.486 4.836 4.350 -0.001 0.000 0.274 93 E C 1.001 177.587 176.600 -0.024 0.000 0.977 93 E CA 0.409 56.770 56.400 -0.065 0.000 0.827 93 E CB 1.605 31.266 29.700 -0.065 0.000 1.130 93 E HN 0.914 nan 8.360 nan 0.000 0.394 94 G N 3.055 111.855 108.800 -0.001 0.000 2.148 94 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.254 94 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.254 94 G C -0.086 174.837 174.900 0.037 0.000 0.981 94 G CA 0.419 45.531 45.100 0.021 0.000 0.670 94 G HN 0.379 nan 8.290 nan 0.000 0.528 95 L N 0.150 121.394 121.223 0.036 0.000 2.404 95 L HA 0.660 4.999 4.340 -0.001 0.000 0.272 95 L C -0.288 176.613 176.870 0.051 0.000 0.980 95 L CA -0.807 54.065 54.840 0.053 0.000 0.836 95 L CB 1.890 43.989 42.059 0.066 0.000 1.238 95 L HN 0.110 nan 8.230 nan 0.000 0.408 96 E N 1.895 122.130 120.200 0.058 0.000 2.235 96 E HA 0.346 4.696 4.350 -0.001 0.000 0.265 96 E C -0.785 175.861 176.600 0.076 0.000 0.940 96 E CA -1.010 55.424 56.400 0.057 0.000 0.819 96 E CB 2.054 31.782 29.700 0.047 0.000 1.206 96 E HN 0.246 nan 8.360 nan 0.000 0.409 97 K N 0.639 121.083 120.400 0.073 0.000 2.491 97 K HA 0.082 4.402 4.320 -0.001 0.000 0.279 97 K C 0.613 177.264 176.600 0.086 0.000 1.026 97 K CA 1.330 57.670 56.287 0.088 0.000 1.070 97 K CB -0.188 32.355 32.500 0.072 0.000 0.887 97 K HN 0.721 nan 8.250 nan 0.000 0.481 98 G N 3.250 112.123 108.800 0.121 0.000 2.232 98 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.226 98 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.226 98 G C -0.499 174.533 174.900 0.221 0.000 0.996 98 G CA -0.004 45.162 45.100 0.110 0.000 0.626 98 G HN 0.712 nan 8.290 nan 0.000 0.509 99 D N 3.249 123.759 120.400 0.183 0.000 2.417 99 D HA 0.401 5.041 4.640 -0.001 0.000 0.250 99 D C -1.731 174.680 176.300 0.184 0.000 1.166 99 D CA -0.700 53.397 54.000 0.162 0.000 0.881 99 D CB 1.375 42.238 40.800 0.106 0.000 1.164 99 D HN 0.258 nan 8.370 nan 0.000 0.467 100 P HA 0.094 nan 4.420 nan 0.000 0.276 100 P C -0.604 176.653 177.300 -0.073 0.000 1.230 100 P CA -0.416 62.647 63.100 -0.061 0.000 0.776 100 P CB 1.079 32.753 31.700 -0.042 0.000 0.888 101 V N 1.647 121.478 119.914 -0.138 0.000 3.087 101 V HA 0.624 4.744 4.120 -0.001 0.000 0.306 101 V C -0.764 175.272 176.094 -0.097 0.000 1.187 101 V CA -1.180 61.078 62.300 -0.069 0.000 0.999 101 V CB 2.224 34.041 31.823 -0.011 0.000 1.049 101 V HN 0.512 nan 8.190 nan 0.000 0.431 102 I N 2.575 123.105 120.570 -0.066 0.000 2.562 102 I HA 0.639 4.809 4.170 -0.001 0.000 0.301 102 I C -1.197 174.899 176.117 -0.035 0.000 1.003 102 I CA -1.205 60.052 61.300 -0.072 0.000 1.127 102 I CB 1.767 39.713 38.000 -0.090 0.000 1.304 102 I HN 0.712 nan 8.210 nan 0.000 0.446 103 L N 6.549 127.747 121.223 -0.042 0.000 2.305 103 L HA 0.387 4.727 4.340 -0.001 0.000 0.284 103 L C -0.094 176.761 176.870 -0.025 0.000 1.013 103 L CA -0.801 54.032 54.840 -0.011 0.000 0.819 103 L CB 1.065 43.107 42.059 -0.029 0.000 1.227 103 L HN 0.594 nan 8.230 nan 0.000 0.417 104 H N 6.306 125.354 119.070 -0.037 0.000 2.928 104 H HA 0.076 4.631 4.556 -0.001 0.000 0.338 104 H C -1.784 173.460 175.328 -0.141 0.000 1.047 104 H CA -1.071 54.946 56.048 -0.051 0.000 1.435 104 H CB 1.772 31.564 29.762 0.049 0.000 1.428 104 H HN 0.388 nan 8.280 nan 0.000 0.590 105 P HA 0.040 nan 4.420 nan 0.000 0.233 105 P C -0.188 176.645 177.300 -0.777 0.000 1.167 105 P CA 0.319 63.046 63.100 -0.621 0.000 0.770 105 P CB 0.332 31.566 31.700 -0.776 0.000 0.837 106 A N 0.253 122.963 122.820 -0.183 0.000 2.301 106 A HA 0.470 4.789 4.320 -0.001 0.000 0.312 106 A C -0.310 177.256 177.584 -0.030 0.000 1.182 106 A CA -0.449 51.532 52.037 -0.092 0.000 0.826 106 A CB 0.896 19.987 19.000 0.152 0.000 1.134 106 A HN -0.076 nan 8.150 nan 0.000 0.501 107 V N 3.056 122.934 119.914 -0.059 0.000 2.347 107 V HA 0.607 4.727 4.120 -0.001 0.000 0.280 107 V C 0.350 176.375 176.094 -0.115 0.000 1.021 107 V CA 0.201 62.446 62.300 -0.092 0.000 0.847 107 V CB 1.166 32.943 31.823 -0.077 0.000 0.990 107 V HN 1.146 nan 8.190 nan 0.000 0.444 108 T N -0.285 114.177 114.554 -0.153 0.000 2.896 108 T HA 0.428 4.778 4.350 -0.001 0.000 0.297 108 T C 0.479 175.081 174.700 -0.163 0.000 1.108 108 T CA -0.320 61.699 62.100 -0.135 0.000 1.004 108 T CB 1.985 70.779 68.868 -0.123 0.000 1.159 108 T HN 0.570 nan 8.240 nan 0.000 0.499 109 D N 0.313 120.637 120.400 -0.127 0.000 2.162 109 D HA 0.201 4.841 4.640 -0.001 0.000 0.203 109 D C 1.839 178.069 176.300 -0.117 0.000 0.967 109 D CA 1.155 55.084 54.000 -0.120 0.000 0.840 109 D CB -0.790 39.958 40.800 -0.086 0.000 0.972 109 D HN 1.350 nan 8.370 nan 0.000 0.482 110 G N -0.655 108.078 108.800 -0.111 0.000 2.159 110 G HA2 -0.334 3.626 3.960 -0.001 0.000 0.256 110 G HA3 -0.334 3.626 3.960 -0.001 0.000 0.256 110 G C 1.144 176.001 174.900 -0.072 0.000 0.977 110 G CA 1.374 46.410 45.100 -0.106 0.000 0.652 110 G HN 0.726 nan 8.290 nan 0.000 0.531 111 T N -2.761 111.758 114.554 -0.059 0.000 3.038 111 T HA 0.274 4.624 4.350 -0.001 0.000 0.244 111 T C 2.094 176.775 174.700 -0.032 0.000 1.016 111 T CA 1.343 63.417 62.100 -0.043 0.000 1.098 111 T CB -0.540 68.304 68.868 -0.040 0.000 0.954 111 T HN 1.547 nan 8.240 nan 0.000 0.469 112 C N 1.279 120.561 119.300 -0.029 0.000 2.705 112 C HA 0.567 5.027 4.460 -0.001 0.000 0.348 112 C C 2.009 176.992 174.990 -0.013 0.000 1.386 112 C CA -0.909 58.099 59.018 -0.017 0.000 2.361 112 C CB -0.680 27.053 27.740 -0.011 0.000 2.486 112 C HN 0.331 nan 8.230 nan 0.000 0.728 113 L N 1.958 123.177 121.223 -0.006 0.000 2.131 113 L HA 0.048 4.388 4.340 -0.001 0.000 0.210 113 L C 2.650 179.522 176.870 0.003 0.000 1.092 113 L CA 2.362 57.200 54.840 -0.004 0.000 0.759 113 L CB -1.435 40.622 42.059 -0.004 0.000 0.903 113 L HN 0.942 nan 8.230 nan 0.000 0.435 114 A N -2.124 120.706 122.820 0.016 0.000 1.897 114 A HA -0.200 4.120 4.320 -0.001 0.000 0.215 114 A C 2.437 180.038 177.584 0.028 0.000 1.181 114 A CA 1.529 53.589 52.037 0.039 0.000 0.620 114 A CB -1.265 17.788 19.000 0.087 0.000 0.821 114 A HN 0.512 nan 8.150 nan 0.000 0.443 115 C N -0.748 118.555 119.300 0.004 0.000 2.425 115 C HA -0.034 4.425 4.460 -0.001 0.000 0.277 115 C C 2.735 177.709 174.990 -0.027 0.000 1.280 115 C CA 0.890 59.893 59.018 -0.024 0.000 1.744 115 C CB -1.144 26.568 27.740 -0.046 0.000 1.989 115 C HN 0.485 nan 8.230 nan 0.000 0.491 116 R N 0.797 121.285 120.500 -0.020 0.000 2.280 116 R HA 0.044 4.384 4.340 -0.001 0.000 0.207 116 R C 1.837 178.131 176.300 -0.010 0.000 1.043 116 R CA 1.080 57.168 56.100 -0.020 0.000 1.006 116 R CB -0.706 29.583 30.300 -0.017 0.000 0.885 116 R HN 0.573 nan 8.270 nan 0.000 0.467 117 A N -0.735 122.085 122.820 -0.000 0.000 2.267 117 A HA 0.348 4.668 4.320 -0.001 0.000 0.213 117 A C 1.262 178.857 177.584 0.019 0.000 1.192 117 A CA 0.721 52.764 52.037 0.009 0.000 0.851 117 A CB 0.225 19.233 19.000 0.013 0.000 0.881 117 A HN 0.325 nan 8.150 nan 0.000 0.494 118 G N -0.647 108.161 108.800 0.013 0.000 2.157 118 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.239 118 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.239 118 G C -0.240 174.688 174.900 0.046 0.000 0.982 118 G CA 0.151 45.265 45.100 0.022 0.000 0.650 118 G HN 0.400 nan 8.290 nan 0.000 0.527 119 E N 0.963 121.199 120.200 0.059 0.000 2.136 119 E HA 0.317 4.666 4.350 -0.001 0.000 0.246 119 E C 0.500 177.145 176.600 0.075 0.000 1.017 119 E CA -0.330 56.137 56.400 0.111 0.000 0.883 119 E CB 0.546 30.360 29.700 0.191 0.000 1.199 119 E HN 0.387 nan 8.360 nan 0.000 0.447 120 D N 1.464 121.876 120.400 0.020 0.000 2.149 120 D HA -0.174 4.465 4.640 -0.001 0.000 0.198 120 D C 1.364 177.655 176.300 -0.016 0.000 0.990 120 D CA 1.166 55.140 54.000 -0.043 0.000 0.839 120 D CB 0.186 40.881 40.800 -0.175 0.000 0.948 120 D HN 0.272 nan 8.370 nan 0.000 0.460 121 M N -0.160 119.416 119.600 -0.040 0.000 2.619 121 M HA -0.010 4.469 4.480 -0.001 0.000 0.251 121 M C 0.654 176.702 176.300 -0.419 0.000 1.106 121 M CA 0.980 56.176 55.300 -0.174 0.000 1.086 121 M CB -0.251 32.216 32.600 -0.222 0.000 1.465 121 M HN 0.181 nan 8.290 nan 0.000 0.506 122 H N -1.756 117.344 119.070 0.050 0.000 2.542 122 H HA 0.162 4.718 4.556 -0.001 0.000 0.283 122 H C 0.342 175.679 175.328 0.014 0.000 1.059 122 H CA -0.395 55.670 56.048 0.029 0.000 1.162 122 H CB 0.164 29.940 29.762 0.024 0.000 1.539 122 H HN 0.293 nan 8.280 nan 0.000 0.543 123 C N 1.876 121.208 119.300 0.054 0.000 2.653 123 C HA 0.034 4.493 4.460 -0.001 0.000 0.421 123 C C 1.902 176.905 174.990 0.021 0.000 1.334 123 C CA -0.037 58.995 59.018 0.024 0.000 1.885 123 C CB 0.234 27.965 27.740 -0.015 0.000 2.645 123 C HN 0.564 nan 8.230 nan 0.000 0.601 124 E N 2.061 122.270 120.200 0.014 0.000 2.274 124 E HA -0.073 4.276 4.350 -0.001 0.000 0.194 124 E C 0.386 176.985 176.600 -0.001 0.000 0.996 124 E CA 0.874 57.281 56.400 0.011 0.000 0.840 124 E CB 0.092 29.796 29.700 0.006 0.000 0.772 124 E HN 0.644 nan 8.360 nan 0.000 0.491 125 N N 0.667 119.359 118.700 -0.014 0.000 2.535 125 N HA 0.129 4.868 4.740 -0.001 0.000 0.294 125 N C -0.871 174.624 175.510 -0.024 0.000 1.408 125 N CA -0.151 52.886 53.050 -0.022 0.000 0.927 125 N CB 0.455 38.920 38.487 -0.036 0.000 1.276 125 N HN 0.078 nan 8.380 nan 0.000 0.505 126 L N 0.903 122.122 121.223 -0.005 0.000 2.499 126 L HA 0.080 4.420 4.340 -0.001 0.000 0.273 126 L C 0.260 177.149 176.870 0.032 0.000 1.195 126 L CA 0.602 55.450 54.840 0.013 0.000 0.882 126 L CB 0.518 42.599 42.059 0.037 0.000 1.133 126 L HN 0.127 nan 8.230 nan 0.000 0.483 127 E N 4.129 124.356 120.200 0.045 0.000 2.299 127 E HA 0.361 4.711 4.350 -0.001 0.000 0.265 127 E C -1.576 175.120 176.600 0.159 0.000 0.911 127 E CA -0.681 55.778 56.400 0.098 0.000 0.789 127 E CB 2.582 32.355 29.700 0.120 0.000 1.246 127 E HN 0.480 nan 8.360 nan 0.000 0.427 128 F N 2.146 122.083 119.950 -0.021 0.000 2.949 128 F HA 0.291 4.818 4.527 -0.001 0.000 0.376 128 F C -2.540 173.240 175.800 -0.033 0.000 1.205 128 F CA -2.109 55.864 58.000 -0.045 0.000 1.155 128 F CB 1.444 40.361 39.000 -0.137 0.000 1.495 128 F HN 0.160 nan 8.300 nan 0.000 0.551 129 P HA 0.121 nan 4.420 nan 0.000 0.260 129 P C 0.669 178.049 177.300 0.133 0.000 1.172 129 P CA 1.965 65.099 63.100 0.058 0.000 0.760 129 P CB 0.626 32.323 31.700 -0.006 0.000 0.773 130 G N 2.036 110.933 108.800 0.162 0.000 2.253 130 G HA2 -0.316 3.644 3.960 -0.001 0.000 0.251 130 G HA3 -0.316 3.644 3.960 -0.001 0.000 0.251 130 G C 0.600 175.693 174.900 0.321 0.000 0.998 130 G CA 0.306 45.539 45.100 0.222 0.000 0.621 130 G HN 0.483 nan 8.290 nan 0.000 0.524 131 L N 0.855 122.208 121.223 0.217 0.000 2.265 131 L HA 0.307 4.647 4.340 -0.001 0.000 0.195 131 L C 2.268 179.078 176.870 -0.099 0.000 1.083 131 L CA 1.984 56.811 54.840 -0.021 0.000 0.798 131 L CB -0.127 41.670 42.059 -0.435 0.000 0.989 131 L HN 0.450 nan 8.230 nan 0.000 0.472 132 N N -0.356 118.235 118.700 -0.182 0.000 2.197 132 N HA 0.148 4.888 4.740 -0.001 0.000 0.201 132 N C 0.038 175.272 175.510 -0.460 0.000 1.148 132 N CA 0.185 53.022 53.050 -0.354 0.000 0.883 132 N CB 0.432 38.804 38.487 -0.192 0.000 1.012 132 N HN 0.406 nan 8.380 nan 0.000 0.507 133 I N -4.017 116.392 120.570 -0.268 0.000 3.279 133 I HA 0.506 4.676 4.170 -0.001 0.000 0.315 133 I C -1.316 174.817 176.117 0.027 0.000 1.187 133 I CA -1.129 60.069 61.300 -0.170 0.000 0.953 133 I CB 1.282 39.235 38.000 -0.077 0.000 1.279 133 I HN -0.388 nan 8.210 nan 0.000 0.465 134 D N 2.190 122.609 120.400 0.032 0.000 2.571 134 D HA 0.326 4.966 4.640 -0.001 0.000 0.231 134 D C 0.269 176.587 176.300 0.030 0.000 1.133 134 D CA 0.796 54.839 54.000 0.072 0.000 0.862 134 D CB 1.150 41.938 40.800 -0.019 0.000 1.179 134 D HN 0.837 nan 8.370 nan 0.000 0.474 135 G N 0.567 109.391 108.800 0.040 0.000 3.135 135 G HA2 0.488 4.448 3.960 -0.001 0.000 0.159 135 G HA3 0.488 4.448 3.960 -0.001 0.000 0.159 135 G C 0.755 175.607 174.900 -0.081 0.000 1.244 135 G CA -0.126 44.952 45.100 -0.038 0.000 0.965 135 G HN 0.436 nan 8.290 nan 0.000 0.599 136 G N -0.902 107.783 108.800 -0.192 0.000 3.126 136 G HA2 0.226 4.185 3.960 -0.001 0.000 0.224 136 G HA3 0.226 4.185 3.960 -0.001 0.000 0.224 136 G C 0.132 175.013 174.900 -0.032 0.000 1.142 136 G CA -0.444 44.576 45.100 -0.133 0.000 0.759 136 G HN 0.327 nan 8.290 nan 0.000 0.550 137 F N 1.985 121.936 119.950 0.001 0.000 2.662 137 F HA 0.523 5.050 4.527 -0.001 0.000 0.365 137 F C 0.903 176.700 175.800 -0.006 0.000 1.222 137 F CA -0.310 57.685 58.000 -0.008 0.000 1.315 137 F CB 0.115 39.111 39.000 -0.007 0.000 1.711 137 F HN 0.195 nan 8.300 nan 0.000 0.651 138 A N 0.689 123.598 122.820 0.149 0.000 2.566 138 A HA 0.335 4.654 4.320 -0.001 0.000 0.290 138 A C 0.334 177.920 177.584 0.003 0.000 1.071 138 A CA -0.787 51.299 52.037 0.081 0.000 0.658 138 A CB 0.894 19.944 19.000 0.082 0.000 1.285 138 A HN 0.398 nan 8.150 nan 0.000 0.427 139 E N -0.597 119.588 120.200 -0.026 0.000 2.208 139 E HA 0.110 4.460 4.350 -0.001 0.000 0.193 139 E C -0.778 175.453 176.600 -0.614 0.000 0.988 139 E CA 1.235 57.470 56.400 -0.275 0.000 0.828 139 E CB 0.051 29.620 29.700 -0.219 0.000 0.763 139 E HN 0.485 nan 8.360 nan 0.000 0.478 140 F N -0.548 119.420 119.950 0.029 0.000 2.613 140 F HA 0.487 5.013 4.527 -0.001 0.000 0.310 140 F C -0.299 175.453 175.800 -0.080 0.000 1.085 140 F CA -0.952 57.031 58.000 -0.029 0.000 0.945 140 F CB 1.892 40.833 39.000 -0.098 0.000 1.298 140 F HN -0.228 nan 8.300 nan 0.000 0.455 141 M N 2.940 122.597 119.600 0.096 0.000 2.433 141 M HA 0.499 4.979 4.480 -0.001 0.000 0.290 141 M C -1.359 174.930 176.300 -0.018 0.000 1.173 141 M CA -0.724 54.577 55.300 0.002 0.000 0.905 141 M CB 2.701 35.295 32.600 -0.010 0.000 1.692 141 M HN 0.810 nan 8.290 nan 0.000 0.462 142 R N 1.817 122.270 120.500 -0.078 0.000 2.404 142 R HA 0.783 5.123 4.340 -0.001 0.000 0.291 142 R C -0.808 175.544 176.300 0.087 0.000 1.025 142 R CA -0.429 55.653 56.100 -0.031 0.000 0.991 142 R CB 1.852 32.079 30.300 -0.122 0.000 1.053 142 R HN 0.708 nan 8.270 nan 0.000 0.479 143 T N -0.035 114.645 114.554 0.211 0.000 2.645 143 T HA 0.293 4.643 4.350 -0.001 0.000 0.300 143 T C -1.228 173.596 174.700 0.207 0.000 1.210 143 T CA -0.607 61.651 62.100 0.264 0.000 1.034 143 T CB 1.602 70.537 68.868 0.113 0.000 1.537 143 T HN 0.655 nan 8.240 nan 0.000 0.492 144 S N -0.628 115.105 115.700 0.056 0.000 2.565 144 S HA 0.335 4.804 4.470 -0.001 0.000 0.290 144 S C 1.422 175.991 174.600 -0.051 0.000 1.150 144 S CA -0.126 58.040 58.200 -0.058 0.000 1.058 144 S CB 0.689 63.758 63.200 -0.218 0.000 1.032 144 S HN 0.868 nan 8.310 nan 0.000 0.510 145 H N 4.522 123.585 119.070 -0.011 0.000 2.456 145 H HA -0.002 4.553 4.556 -0.001 0.000 0.296 145 H C 1.317 176.632 175.328 -0.022 0.000 1.079 145 H CA 1.255 57.302 56.048 -0.001 0.000 1.322 145 H CB -0.211 29.547 29.762 -0.007 0.000 1.388 145 H HN 0.646 nan 8.280 nan 0.000 0.538 146 R N 0.627 120.696 120.500 -0.718 0.000 2.285 146 R HA 0.025 4.364 4.340 -0.001 0.000 0.213 146 R C 1.629 177.777 176.300 -0.254 0.000 1.068 146 R CA 0.928 56.710 56.100 -0.530 0.000 1.004 146 R CB 0.172 30.133 30.300 -0.566 0.000 0.873 146 R HN 0.268 nan 8.270 nan 0.000 0.467 147 S N 0.068 115.714 115.700 -0.089 0.000 2.535 147 S HA 0.095 4.564 4.470 -0.001 0.000 0.214 147 S C 0.544 175.267 174.600 0.205 0.000 0.980 147 S CA -0.125 58.126 58.200 0.086 0.000 0.907 147 S CB 0.616 63.840 63.200 0.040 0.000 0.790 147 S HN -0.065 nan 8.310 nan 0.000 0.510 148 V N 2.777 122.798 119.914 0.178 0.000 2.498 148 V HA 0.372 4.491 4.120 -0.001 0.000 0.279 148 V C -0.208 176.023 176.094 0.229 0.000 1.048 148 V CA -0.178 62.222 62.300 0.166 0.000 0.967 148 V CB 1.106 33.008 31.823 0.132 0.000 0.988 148 V HN 0.296 nan 8.190 nan 0.000 0.473 149 I N 4.977 125.621 120.570 0.124 0.000 2.418 149 I HA 0.384 4.554 4.170 -0.001 0.000 0.287 149 I C 0.061 176.209 176.117 0.052 0.000 1.008 149 I CA -0.701 60.654 61.300 0.091 0.000 1.104 149 I CB 1.724 39.706 38.000 -0.030 0.000 1.264 149 I HN 0.525 nan 8.210 nan 0.000 0.438 150 K N 6.537 126.983 120.400 0.076 0.000 2.298 150 K HA 0.483 4.803 4.320 -0.001 0.000 0.280 150 K C -0.703 175.907 176.600 0.015 0.000 1.032 150 K CA -0.284 56.032 56.287 0.048 0.000 0.958 150 K CB 1.038 33.578 32.500 0.067 0.000 0.978 150 K HN 0.431 nan 8.250 nan 0.000 0.472 151 L N 3.649 124.868 121.223 -0.007 0.000 2.365 151 L HA 0.418 4.758 4.340 -0.001 0.000 0.267 151 L C -2.085 174.782 176.870 -0.005 0.000 1.033 151 L CA -2.526 52.297 54.840 -0.028 0.000 0.802 151 L CB 0.817 42.843 42.059 -0.054 0.000 1.267 151 L HN 0.376 nan 8.230 nan 0.000 0.457 152 P HA 0.005 nan 4.420 nan 0.000 0.265 152 P C 0.067 177.381 177.300 0.023 0.000 1.193 152 P CA -0.137 62.967 63.100 0.006 0.000 0.765 152 P CB 0.520 32.218 31.700 -0.003 0.000 0.823 153 K N 2.450 122.870 120.400 0.032 0.000 2.152 153 K HA -0.166 4.154 4.320 -0.001 0.000 0.206 153 K C 0.922 177.553 176.600 0.052 0.000 1.048 153 K CA 1.728 58.043 56.287 0.047 0.000 0.933 153 K CB -0.242 32.283 32.500 0.040 0.000 0.721 153 K HN 0.620 nan 8.250 nan 0.000 0.447 154 D N -0.022 120.400 120.400 0.037 0.000 2.328 154 D HA -0.054 4.586 4.640 -0.001 0.000 0.221 154 D C 0.932 177.254 176.300 0.037 0.000 1.072 154 D CA -0.259 53.761 54.000 0.035 0.000 0.850 154 D CB -0.485 40.328 40.800 0.022 0.000 0.922 154 D HN 0.141 nan 8.370 nan 0.000 0.516 155 I N 2.217 122.811 120.570 0.039 0.000 2.775 155 I HA -0.099 4.071 4.170 -0.001 0.000 0.290 155 I C 0.649 176.799 176.117 0.056 0.000 1.203 155 I CA 0.009 61.328 61.300 0.032 0.000 1.433 155 I CB 0.582 38.588 38.000 0.010 0.000 1.354 155 I HN 0.034 nan 8.210 nan 0.000 0.579 156 S N 7.126 122.850 115.700 0.039 0.000 2.585 156 S HA 0.167 4.637 4.470 -0.001 0.000 0.273 156 S C 1.200 175.840 174.600 0.068 0.000 1.339 156 S CA -0.490 57.739 58.200 0.049 0.000 1.028 156 S CB 1.455 64.671 63.200 0.026 0.000 0.906 156 S HN 0.859 nan 8.310 nan 0.000 0.528 157 R N 0.975 121.534 120.500 0.097 0.000 2.091 157 R HA -0.161 4.178 4.340 -0.001 0.000 0.238 157 R C 1.580 177.911 176.300 0.052 0.000 1.136 157 R CA 2.071 58.245 56.100 0.124 0.000 0.959 157 R CB -0.500 29.881 30.300 0.134 0.000 0.856 157 R HN 0.837 nan 8.270 nan 0.000 0.437 158 E N 0.500 120.718 120.200 0.031 0.000 2.051 158 E HA -0.179 4.171 4.350 -0.001 0.000 0.192 158 E C 1.939 178.539 176.600 -0.000 0.000 0.991 158 E CA 1.541 57.947 56.400 0.010 0.000 0.799 158 E CB -0.039 29.663 29.700 0.004 0.000 0.748 158 E HN 0.174 nan 8.360 nan 0.000 0.449 159 K N -0.050 120.350 120.400 -0.000 0.000 2.148 159 K HA -0.065 4.254 4.320 -0.001 0.000 0.204 159 K C 1.858 178.443 176.600 -0.026 0.000 1.050 159 K CA 0.418 56.697 56.287 -0.012 0.000 0.942 159 K CB -0.177 32.316 32.500 -0.011 0.000 0.724 159 K HN 0.040 nan 8.250 nan 0.000 0.446 160 L N -0.003 121.203 121.223 -0.029 0.000 2.027 160 L HA -0.133 4.206 4.340 -0.001 0.000 0.206 160 L C 1.772 178.601 176.870 -0.068 0.000 1.074 160 L CA 1.547 56.346 54.840 -0.069 0.000 0.745 160 L CB -0.488 41.506 42.059 -0.107 0.000 0.898 160 L HN -0.062 nan 8.230 nan 0.000 0.433 161 V N 0.008 119.897 119.914 -0.042 0.000 2.392 161 V HA -0.328 3.791 4.120 -0.001 0.000 0.249 161 V C 2.603 178.682 176.094 -0.025 0.000 1.059 161 V CA 2.063 64.344 62.300 -0.031 0.000 1.051 161 V CB -0.769 31.047 31.823 -0.012 0.000 0.658 161 V HN 0.627 nan 8.190 nan 0.000 0.455 162 E N -0.461 119.725 120.200 -0.022 0.000 2.265 162 E HA -0.209 4.141 4.350 -0.001 0.000 0.196 162 E C 2.077 178.663 176.600 -0.022 0.000 0.996 162 E CA 1.136 57.527 56.400 -0.015 0.000 0.832 162 E CB -0.076 29.616 29.700 -0.013 0.000 0.756 162 E HN 0.582 nan 8.360 nan 0.000 0.491 163 M N -0.486 119.090 119.600 -0.040 0.000 2.556 163 M HA 0.096 4.576 4.480 -0.001 0.000 0.245 163 M C 2.102 178.368 176.300 -0.057 0.000 1.128 163 M CA 0.425 55.692 55.300 -0.055 0.000 1.069 163 M CB 0.352 32.908 32.600 -0.073 0.000 1.469 163 M HN 0.148 nan 8.290 nan 0.000 0.494 164 A N 1.655 124.446 122.820 -0.048 0.000 1.892 164 A HA -0.116 4.204 4.320 -0.001 0.000 0.218 164 A C -0.470 177.088 177.584 -0.043 0.000 1.188 164 A CA 1.625 53.632 52.037 -0.050 0.000 0.631 164 A CB -1.896 17.083 19.000 -0.034 0.000 0.822 164 A HN 0.300 nan 8.150 nan 0.000 0.447 165 P HA -0.076 nan 4.420 nan 0.000 0.225 165 P C 1.160 178.445 177.300 -0.025 0.000 1.148 165 P CA 0.583 63.678 63.100 -0.008 0.000 0.779 165 P CB -0.174 31.544 31.700 0.031 0.000 0.780 166 L N -1.049 120.145 121.223 -0.049 0.000 2.187 166 L HA -0.187 4.153 4.340 -0.001 0.000 0.213 166 L C 2.313 179.141 176.870 -0.070 0.000 1.100 166 L CA 1.479 56.278 54.840 -0.069 0.000 0.765 166 L CB -1.218 40.782 42.059 -0.098 0.000 0.904 166 L HN -0.006 nan 8.230 nan 0.000 0.437 167 A N -1.021 121.754 122.820 -0.075 0.000 2.121 167 A HA -0.189 4.131 4.320 -0.001 0.000 0.218 167 A C 1.713 179.247 177.584 -0.083 0.000 1.154 167 A CA 2.126 54.103 52.037 -0.100 0.000 0.679 167 A CB -0.244 18.693 19.000 -0.106 0.000 0.795 167 A HN 0.531 nan 8.150 nan 0.000 0.458 168 D N -3.373 117.018 120.400 -0.014 0.000 2.846 168 D HA 0.274 4.913 4.640 -0.001 0.000 0.200 168 D C 1.863 178.228 176.300 0.108 0.000 1.421 168 D CA 0.677 54.722 54.000 0.075 0.000 1.400 168 D CB -0.565 40.337 40.800 0.170 0.000 1.461 168 D HN 0.081 nan 8.370 nan 0.000 0.352 169 A N 0.670 123.543 122.820 0.088 0.000 1.892 169 A HA 0.035 4.355 4.320 -0.001 0.000 0.218 169 A C 2.211 179.829 177.584 0.056 0.000 1.188 169 A CA 2.527 54.618 52.037 0.092 0.000 0.631 169 A CB -1.426 17.615 19.000 0.068 0.000 0.822 169 A HN 0.370 nan 8.150 nan 0.000 0.447 170 G N -0.635 108.173 108.800 0.014 0.000 2.394 170 G HA2 -0.123 3.836 3.960 -0.001 0.000 0.214 170 G HA3 -0.123 3.836 3.960 -0.001 0.000 0.214 170 G C 1.595 176.531 174.900 0.060 0.000 1.176 170 G CA 0.844 45.940 45.100 -0.007 0.000 0.786 170 G HN 0.520 nan 8.290 nan 0.000 0.533 171 I N 0.864 121.465 120.570 0.052 0.000 2.286 171 I HA -0.157 4.013 4.170 -0.001 0.000 0.248 171 I C 2.626 178.856 176.117 0.188 0.000 1.115 171 I CA 1.642 63.006 61.300 0.107 0.000 1.392 171 I CB -0.049 37.971 38.000 0.033 0.000 1.065 171 I HN 0.127 nan 8.210 nan 0.000 0.418 172 T N 1.134 115.791 114.554 0.173 0.000 2.737 172 T HA -0.067 4.283 4.350 -0.001 0.000 0.265 172 T C 1.973 176.845 174.700 0.286 0.000 1.038 172 T CA 1.314 63.547 62.100 0.222 0.000 1.144 172 T CB -0.369 68.646 68.868 0.245 0.000 0.866 172 T HN 0.548 nan 8.240 nan 0.000 0.434 173 A N 0.377 123.358 122.820 0.269 0.000 1.933 173 A HA -0.110 4.209 4.320 -0.001 0.000 0.218 173 A C 2.073 179.803 177.584 0.244 0.000 1.175 173 A CA 1.506 53.704 52.037 0.269 0.000 0.628 173 A CB -0.995 17.982 19.000 -0.039 0.000 0.814 173 A HN 0.641 nan 8.150 nan 0.000 0.444 174 Y N 0.011 120.362 120.300 0.083 0.000 2.163 174 Y HA -0.197 4.352 4.550 -0.001 0.000 0.288 174 Y C 2.607 178.559 175.900 0.086 0.000 1.136 174 Y CA 2.132 60.270 58.100 0.063 0.000 1.147 174 Y CB -0.213 38.267 38.460 0.032 0.000 0.987 174 Y HN 0.289 nan 8.280 nan 0.000 0.509 175 R N 0.320 120.874 120.500 0.090 0.000 2.096 175 R HA -0.181 4.159 4.340 -0.001 0.000 0.235 175 R C 2.248 178.547 176.300 -0.002 0.000 1.127 175 R CA 1.317 57.422 56.100 0.008 0.000 0.968 175 R CB -0.515 29.853 30.300 0.114 0.000 0.861 175 R HN 0.460 nan 8.270 nan 0.000 0.440 176 A N 0.076 122.945 122.820 0.082 0.000 1.930 176 A HA -0.058 4.262 4.320 -0.001 0.000 0.217 176 A C 2.204 179.823 177.584 0.058 0.000 1.175 176 A CA 1.275 53.359 52.037 0.078 0.000 0.627 176 A CB -0.322 18.764 19.000 0.143 0.000 0.815 176 A HN 0.225 nan 8.150 nan 0.000 0.443 177 V N 0.343 120.294 119.914 0.061 0.000 2.427 177 V HA -0.245 3.875 4.120 -0.001 0.000 0.248 177 V C 2.391 178.438 176.094 -0.078 0.000 1.051 177 V CA 2.137 64.445 62.300 0.015 0.000 1.048 177 V CB -0.621 31.216 31.823 0.023 0.000 0.666 177 V HN 0.530 nan 8.190 nan 0.000 0.456 178 K N 0.145 120.432 120.400 -0.188 0.000 2.032 178 K HA -0.238 4.081 4.320 -0.001 0.000 0.209 178 K C 2.235 178.789 176.600 -0.076 0.000 1.048 178 K CA 1.615 57.795 56.287 -0.178 0.000 0.927 178 K CB -0.267 32.085 32.500 -0.246 0.000 0.712 178 K HN 0.436 nan 8.250 nan 0.000 0.441 179 K N 0.554 120.926 120.400 -0.048 0.000 2.009 179 K HA -0.160 4.159 4.320 -0.001 0.000 0.210 179 K C 2.307 178.900 176.600 -0.012 0.000 1.049 179 K CA 1.422 57.697 56.287 -0.020 0.000 0.929 179 K CB -0.268 32.227 32.500 -0.009 0.000 0.714 179 K HN 0.149 nan 8.250 nan 0.000 0.440 180 A N 1.567 124.383 122.820 -0.006 0.000 1.917 180 A HA -0.196 4.123 4.320 -0.001 0.000 0.219 180 A C 2.386 179.970 177.584 -0.001 0.000 1.182 180 A CA 2.107 54.146 52.037 0.004 0.000 0.633 180 A CB -0.827 18.187 19.000 0.024 0.000 0.819 180 A HN 0.383 nan 8.150 nan 0.000 0.448 181 A N -0.332 122.482 122.820 -0.010 0.000 1.972 181 A HA -0.167 4.153 4.320 -0.001 0.000 0.219 181 A C 2.125 179.714 177.584 0.008 0.000 1.169 181 A CA 1.525 53.557 52.037 -0.007 0.000 0.635 181 A CB -0.479 18.509 19.000 -0.020 0.000 0.810 181 A HN 0.576 nan 8.150 nan 0.000 0.446 182 R N -0.500 120.003 120.500 0.006 0.000 2.170 182 R HA -0.116 4.224 4.340 -0.001 0.000 0.242 182 R C 1.429 177.753 176.300 0.040 0.000 1.145 182 R CA 1.749 57.859 56.100 0.017 0.000 0.984 182 R CB -0.414 29.891 30.300 0.008 0.000 0.869 182 R HN 0.710 nan 8.270 nan 0.000 0.455 183 T N -3.228 111.355 114.554 0.049 0.000 3.145 183 T HA 0.341 4.691 4.350 -0.001 0.000 0.281 183 T C 0.358 175.136 174.700 0.130 0.000 1.003 183 T CA -0.406 61.752 62.100 0.096 0.000 0.901 183 T CB 0.226 69.141 68.868 0.078 0.000 1.112 183 T HN -0.090 nan 8.240 nan 0.000 0.535 184 L N 2.394 123.650 121.223 0.055 0.000 2.379 184 L HA 0.715 5.055 4.340 -0.001 0.000 0.269 184 L C -0.433 176.459 176.870 0.037 0.000 1.084 184 L CA -1.451 53.348 54.840 -0.068 0.000 0.802 184 L CB 1.071 43.078 42.059 -0.087 0.000 1.175 184 L HN 0.450 nan 8.230 nan 0.000 0.448 185 Y N 0.372 120.659 120.300 -0.020 0.000 2.689 185 Y HA 0.553 5.102 4.550 -0.001 0.000 0.333 185 Y C -2.977 172.897 175.900 -0.044 0.000 1.208 185 Y CA -3.205 54.880 58.100 -0.025 0.000 1.055 185 Y CB 0.114 38.562 38.460 -0.020 0.000 1.304 185 Y HN 0.265 nan 8.280 nan 0.000 0.455 186 P HA 0.291 nan 4.420 nan 0.000 0.267 186 P C 0.779 178.114 177.300 0.058 0.000 1.209 186 P CA 1.995 65.120 63.100 0.042 0.000 0.763 186 P CB 0.821 32.557 31.700 0.062 0.000 0.816 187 G N 2.015 110.733 108.800 -0.137 0.000 2.232 187 G HA2 -0.157 3.803 3.960 -0.001 0.000 0.226 187 G HA3 -0.157 3.803 3.960 -0.001 0.000 0.226 187 G C 0.434 175.054 174.900 -0.467 0.000 0.996 187 G CA -0.030 44.955 45.100 -0.192 0.000 0.626 187 G HN 0.839 nan 8.290 nan 0.000 0.509 188 A N -0.243 122.149 122.820 -0.715 0.000 2.386 188 A HA 0.669 4.989 4.320 -0.001 0.000 0.248 188 A C -0.314 176.916 177.584 -0.590 0.000 1.082 188 A CA 0.156 51.688 52.037 -0.841 0.000 0.789 188 A CB 0.271 18.543 19.000 -1.213 0.000 1.025 188 A HN 0.738 nan 8.150 nan 0.000 0.490 189 Y N 0.024 120.228 120.300 -0.161 0.000 2.377 189 Y HA 0.496 5.046 4.550 -0.001 0.000 0.339 189 Y C 0.205 176.075 175.900 -0.050 0.000 1.011 189 Y CA -0.455 57.607 58.100 -0.063 0.000 1.093 189 Y CB 2.075 40.521 38.460 -0.024 0.000 1.201 189 Y HN 0.500 nan 8.280 nan 0.000 0.455 190 V N 3.384 123.382 119.914 0.140 0.000 2.540 190 V HA 0.861 4.981 4.120 -0.001 0.000 0.302 190 V C -0.832 175.343 176.094 0.135 0.000 1.035 190 V CA -0.647 61.716 62.300 0.105 0.000 0.873 190 V CB 1.161 33.022 31.823 0.063 0.000 0.992 190 V HN 0.858 nan 8.190 nan 0.000 0.428 191 A N 7.784 130.677 122.820 0.121 0.000 2.274 191 A HA 0.714 5.034 4.320 -0.001 0.000 0.309 191 A C -0.448 177.222 177.584 0.143 0.000 1.226 191 A CA -0.505 51.608 52.037 0.128 0.000 0.853 191 A CB 0.734 19.804 19.000 0.117 0.000 1.146 191 A HN 0.886 nan 8.150 nan 0.000 0.518 192 I N 4.640 125.308 120.570 0.163 0.000 2.354 192 I HA 0.424 4.593 4.170 -0.001 0.000 0.286 192 I C -1.091 175.157 176.117 0.218 0.000 1.007 192 I CA -0.469 60.965 61.300 0.223 0.000 1.167 192 I CB 1.221 39.337 38.000 0.193 0.000 1.320 192 I HN 0.279 nan 8.210 nan 0.000 0.458 193 V N 7.169 127.231 119.914 0.248 0.000 2.328 193 V HA 0.738 4.858 4.120 -0.001 0.000 0.278 193 V C 0.414 176.640 176.094 0.220 0.000 1.021 193 V CA -0.186 62.233 62.300 0.199 0.000 0.838 193 V CB 0.823 32.720 31.823 0.123 0.000 0.999 193 V HN 1.023 nan 8.190 nan 0.000 0.447 194 G N 3.757 112.665 108.800 0.179 0.000 3.035 194 G HA2 -0.093 3.866 3.960 -0.001 0.000 0.674 194 G HA3 -0.093 3.866 3.960 -0.001 0.000 0.674 194 G C -0.669 174.308 174.900 0.128 0.000 1.159 194 G CA -0.523 44.670 45.100 0.155 0.000 1.098 194 G HN 0.767 nan 8.290 nan 0.000 0.473 195 V N 2.993 122.963 119.914 0.093 0.000 2.135 195 V HA 0.577 4.697 4.120 -0.001 0.000 0.287 195 V C 1.501 177.641 176.094 0.077 0.000 1.607 195 V CA 0.758 63.101 62.300 0.072 0.000 1.585 195 V CB -0.104 31.760 31.823 0.068 0.000 1.470 195 V HN 1.085 nan 8.190 nan 0.000 0.513 196 G N 0.965 109.817 108.800 0.087 0.000 2.849 196 G HA2 0.496 4.456 3.960 -0.001 0.000 0.174 196 G HA3 0.496 4.456 3.960 -0.001 0.000 0.174 196 G C 1.150 176.150 174.900 0.168 0.000 1.370 196 G CA 0.189 45.348 45.100 0.098 0.000 1.040 196 G HN 0.444 nan 8.290 nan 0.000 0.582 197 G N -0.466 108.427 108.800 0.154 0.000 2.459 197 G HA2 -0.120 3.839 3.960 -0.001 0.000 0.217 197 G HA3 -0.120 3.839 3.960 -0.001 0.000 0.217 197 G C 1.711 176.718 174.900 0.180 0.000 1.183 197 G CA 1.132 46.356 45.100 0.207 0.000 0.776 197 G HN 0.279 nan 8.290 nan 0.000 0.552 198 L N 1.173 122.444 121.223 0.080 0.000 2.072 198 L HA 0.199 4.539 4.340 -0.001 0.000 0.205 198 L C 3.116 179.738 176.870 -0.413 0.000 1.079 198 L CA 1.685 56.474 54.840 -0.085 0.000 0.752 198 L CB -0.956 41.157 42.059 0.089 0.000 0.906 198 L HN 0.247 nan 8.230 nan 0.000 0.436 199 G N -0.986 107.600 108.800 -0.356 0.000 2.408 199 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.217 199 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.217 199 G C 1.546 176.276 174.900 -0.285 0.000 1.150 199 G CA 0.946 45.728 45.100 -0.530 0.000 0.776 199 G HN 0.616 nan 8.290 nan 0.000 0.542 200 H N 0.641 119.607 119.070 -0.172 0.000 2.457 200 H HA 0.076 4.632 4.556 -0.001 0.000 0.294 200 H C 2.298 177.558 175.328 -0.113 0.000 1.064 200 H CA 1.061 57.045 56.048 -0.106 0.000 1.330 200 H CB -0.399 29.330 29.762 -0.056 0.000 1.395 200 H HN 0.404 nan 8.280 nan 0.000 0.541 201 I N 1.304 121.413 120.570 -0.768 0.000 2.286 201 I HA -0.147 4.023 4.170 -0.001 0.000 0.245 201 I C 3.039 178.971 176.117 -0.309 0.000 1.104 201 I CA 0.958 61.935 61.300 -0.539 0.000 1.397 201 I CB -0.420 37.319 38.000 -0.434 0.000 1.072 201 I HN 0.312 nan 8.210 nan 0.000 0.417 202 A N 0.582 123.171 122.820 -0.386 0.000 1.972 202 A HA -0.128 4.191 4.320 -0.001 0.000 0.219 202 A C 2.449 179.949 177.584 -0.139 0.000 1.169 202 A CA 1.452 53.312 52.037 -0.295 0.000 0.635 202 A CB -0.866 17.745 19.000 -0.648 0.000 0.810 202 A HN 0.237 nan 8.150 nan 0.000 0.446 203 V N 0.036 119.869 119.914 -0.135 0.000 2.287 203 V HA -0.360 3.760 4.120 -0.001 0.000 0.248 203 V C 2.668 178.741 176.094 -0.035 0.000 1.053 203 V CA 2.407 64.680 62.300 -0.045 0.000 1.027 203 V CB -0.949 30.863 31.823 -0.017 0.000 0.646 203 V HN 0.673 nan 8.190 nan 0.000 0.447 204 Q N -0.544 119.220 119.800 -0.060 0.000 2.084 204 Q HA -0.170 4.169 4.340 -0.001 0.000 0.202 204 Q C 2.276 178.266 176.000 -0.018 0.000 0.978 204 Q CA 1.579 57.359 55.803 -0.039 0.000 0.844 204 Q CB -0.254 28.449 28.738 -0.060 0.000 0.898 204 Q HN 0.549 nan 8.270 nan 0.000 0.426 205 L N 0.148 121.360 121.223 -0.018 0.000 2.156 205 L HA -0.152 4.188 4.340 -0.001 0.000 0.208 205 L C 2.227 179.114 176.870 0.029 0.000 1.095 205 L CA 0.621 55.480 54.840 0.031 0.000 0.770 205 L CB -0.294 41.807 42.059 0.071 0.000 0.914 205 L HN 0.240 nan 8.230 nan 0.000 0.439 206 L N -0.391 120.842 121.223 0.017 0.000 2.083 206 L HA -0.202 4.138 4.340 -0.001 0.000 0.209 206 L C 2.615 179.493 176.870 0.012 0.000 1.083 206 L CA 1.072 55.925 54.840 0.021 0.000 0.752 206 L CB -0.431 41.648 42.059 0.032 0.000 0.899 206 L HN 0.188 nan 8.230 nan 0.000 0.433 207 K N -0.469 119.936 120.400 0.009 0.000 2.167 207 K HA 0.004 4.324 4.320 -0.001 0.000 0.203 207 K C 2.014 178.619 176.600 0.008 0.000 1.052 207 K CA 0.836 57.126 56.287 0.004 0.000 0.956 207 K CB -0.162 32.339 32.500 0.001 0.000 0.735 207 K HN 0.179 nan 8.250 nan 0.000 0.451 208 V N 0.643 120.566 119.914 0.015 0.000 2.649 208 V HA -0.049 4.071 4.120 -0.001 0.000 0.248 208 V C 2.001 178.113 176.094 0.030 0.000 1.054 208 V CA 1.253 63.567 62.300 0.023 0.000 1.073 208 V CB -0.254 31.588 31.823 0.032 0.000 0.699 208 V HN 0.210 nan 8.190 nan 0.000 0.463 209 M N -0.558 119.060 119.600 0.031 0.000 2.367 209 M HA 0.154 4.633 4.480 -0.001 0.000 0.256 209 M C 0.681 176.988 176.300 0.012 0.000 1.091 209 M CA 0.412 55.729 55.300 0.029 0.000 1.049 209 M CB 0.833 33.449 32.600 0.026 0.000 1.406 209 M HN 0.509 nan 8.290 nan 0.000 0.498 210 T N -2.780 111.778 114.554 0.006 0.000 2.896 210 T HA 0.481 4.830 4.350 -0.001 0.000 0.297 210 T C -2.630 172.064 174.700 -0.010 0.000 1.108 210 T CA -1.431 60.666 62.100 -0.004 0.000 1.004 210 T CB 2.126 70.985 68.868 -0.016 0.000 1.159 210 T HN -0.146 nan 8.240 nan 0.000 0.499 211 P HA 0.367 nan 4.420 nan 0.000 0.258 211 P C 0.335 177.595 177.300 -0.066 0.000 1.416 211 P CA -0.212 62.871 63.100 -0.027 0.000 0.927 211 P CB -0.316 31.379 31.700 -0.009 0.000 1.444 212 A N 0.203 122.972 122.820 -0.085 0.000 2.366 212 A HA 0.402 4.722 4.320 -0.001 0.000 0.249 212 A C 0.314 177.839 177.584 -0.099 0.000 1.084 212 A CA 0.168 52.120 52.037 -0.142 0.000 0.794 212 A CB -0.291 18.629 19.000 -0.132 0.000 1.034 212 A HN 0.079 nan 8.150 nan 0.000 0.491 213 T N 1.473 115.940 114.554 -0.145 0.000 2.761 213 T HA 0.408 4.758 4.350 -0.001 0.000 0.296 213 T C -0.169 174.592 174.700 0.102 0.000 0.934 213 T CA -0.021 62.059 62.100 -0.033 0.000 1.091 213 T CB 0.346 69.141 68.868 -0.122 0.000 0.896 213 T HN 0.381 nan 8.240 nan 0.000 0.515 214 V N 6.071 126.054 119.914 0.116 0.000 2.370 214 V HA 0.419 4.539 4.120 -0.001 0.000 0.279 214 V C 0.111 176.313 176.094 0.180 0.000 1.029 214 V CA -0.679 61.696 62.300 0.124 0.000 0.870 214 V CB 0.998 32.862 31.823 0.069 0.000 0.984 214 V HN 0.772 nan 8.190 nan 0.000 0.451 215 I N 4.655 125.341 120.570 0.192 0.000 2.355 215 I HA 0.638 4.808 4.170 -0.001 0.000 0.288 215 I C 0.411 176.612 176.117 0.140 0.000 0.999 215 I CA -0.360 61.053 61.300 0.188 0.000 1.163 215 I CB 1.591 39.681 38.000 0.150 0.000 1.316 215 I HN 0.648 nan 8.210 nan 0.000 0.454 216 A N 7.453 130.347 122.820 0.124 0.000 2.305 216 A HA 0.831 5.151 4.320 -0.001 0.000 0.322 216 A C -0.919 176.728 177.584 0.105 0.000 1.187 216 A CA -0.381 51.721 52.037 0.109 0.000 0.825 216 A CB 0.778 19.829 19.000 0.085 0.000 1.164 216 A HN 0.578 nan 8.150 nan 0.000 0.498 217 L N 2.398 123.694 121.223 0.120 0.000 2.362 217 L HA 0.652 4.992 4.340 -0.001 0.000 0.275 217 L C -0.059 176.883 176.870 0.120 0.000 0.998 217 L CA 0.154 55.065 54.840 0.120 0.000 0.820 217 L CB 1.828 43.987 42.059 0.168 0.000 1.270 217 L HN 0.870 nan 8.230 nan 0.000 0.415 218 D N 0.543 120.998 120.400 0.093 0.000 2.838 218 D HA 0.467 5.107 4.640 -0.001 0.000 0.334 218 D C -0.661 175.679 176.300 0.065 0.000 1.315 218 D CA -0.127 53.926 54.000 0.087 0.000 0.917 218 D CB 2.451 43.294 40.800 0.072 0.000 1.435 218 D HN 0.234 nan 8.370 nan 0.000 0.517 219 V N -1.528 118.420 119.914 0.058 0.000 3.276 219 V HA 0.513 4.633 4.120 -0.001 0.000 0.319 219 V C -0.411 175.702 176.094 0.032 0.000 1.476 219 V CA -0.292 62.034 62.300 0.043 0.000 1.097 219 V CB 0.443 32.297 31.823 0.053 0.000 0.988 219 V HN 0.171 nan 8.190 nan 0.000 0.473 220 K N 1.710 122.129 120.400 0.031 0.000 2.443 220 K HA 0.388 4.707 4.320 -0.001 0.000 0.252 220 K C 0.867 177.478 176.600 0.019 0.000 0.933 220 K CA 0.233 56.533 56.287 0.022 0.000 0.792 220 K CB 2.897 35.408 32.500 0.020 0.000 1.185 220 K HN 0.446 nan 8.250 nan 0.000 0.425 221 E N 2.288 122.496 120.200 0.013 0.000 2.118 221 E HA -0.268 4.082 4.350 -0.001 0.000 0.195 221 E C 1.049 177.655 176.600 0.010 0.000 0.992 221 E CA 1.605 58.012 56.400 0.012 0.000 0.804 221 E CB 0.105 29.810 29.700 0.008 0.000 0.741 221 E HN 0.596 nan 8.360 nan 0.000 0.458 222 E N 2.103 122.307 120.200 0.006 0.000 2.268 222 E HA -0.185 4.165 4.350 -0.001 0.000 0.195 222 E C 1.623 178.224 176.600 0.002 0.000 0.995 222 E CA 1.059 57.460 56.400 0.001 0.000 0.836 222 E CB -0.133 29.565 29.700 -0.004 0.000 0.763 222 E HN 0.407 nan 8.360 nan 0.000 0.491 223 K N 0.510 120.915 120.400 0.008 0.000 2.167 223 K HA 0.124 4.444 4.320 -0.001 0.000 0.203 223 K C 2.448 179.062 176.600 0.024 0.000 1.052 223 K CA 0.647 56.941 56.287 0.012 0.000 0.956 223 K CB -0.015 32.498 32.500 0.021 0.000 0.735 223 K HN 0.086 nan 8.250 nan 0.000 0.451 224 L N 1.173 122.412 121.223 0.026 0.000 2.046 224 L HA -0.190 4.150 4.340 -0.001 0.000 0.208 224 L C 2.166 179.050 176.870 0.024 0.000 1.077 224 L CA 1.069 55.927 54.840 0.031 0.000 0.747 224 L CB -0.383 41.694 42.059 0.030 0.000 0.896 224 L HN 0.069 nan 8.230 nan 0.000 0.432 225 K N 0.076 120.486 120.400 0.016 0.000 2.057 225 K HA -0.149 4.171 4.320 -0.001 0.000 0.206 225 K C 2.037 178.644 176.600 0.011 0.000 1.050 225 K CA 1.084 57.378 56.287 0.011 0.000 0.935 225 K CB -0.770 31.733 32.500 0.006 0.000 0.715 225 K HN 0.136 nan 8.250 nan 0.000 0.439 226 L N 1.399 122.627 121.223 0.009 0.000 2.012 226 L HA -0.155 4.184 4.340 -0.001 0.000 0.210 226 L C 2.210 179.097 176.870 0.028 0.000 1.073 226 L CA 2.130 56.977 54.840 0.011 0.000 0.748 226 L CB -0.877 41.179 42.059 -0.005 0.000 0.891 226 L HN 0.178 nan 8.230 nan 0.000 0.431 227 A N -0.785 122.055 122.820 0.033 0.000 1.908 227 A HA -0.248 4.072 4.320 -0.001 0.000 0.218 227 A C 2.128 179.728 177.584 0.027 0.000 1.181 227 A CA 1.909 53.969 52.037 0.039 0.000 0.627 227 A CB -0.680 18.347 19.000 0.046 0.000 0.818 227 A HN 0.656 nan 8.150 nan 0.000 0.445 228 E N -0.463 119.749 120.200 0.020 0.000 2.077 228 E HA -0.187 4.162 4.350 -0.001 0.000 0.193 228 E C 2.276 178.879 176.600 0.005 0.000 0.989 228 E CA 1.140 57.544 56.400 0.008 0.000 0.800 228 E CB -0.214 29.488 29.700 0.004 0.000 0.746 228 E HN 0.531 nan 8.360 nan 0.000 0.452 229 R N 0.413 120.918 120.500 0.009 0.000 2.120 229 R HA -0.074 4.265 4.340 -0.001 0.000 0.234 229 R C 2.057 178.364 176.300 0.012 0.000 1.123 229 R CA 0.843 56.948 56.100 0.009 0.000 0.975 229 R CB -0.178 30.128 30.300 0.009 0.000 0.866 229 R HN 0.217 nan 8.270 nan 0.000 0.446 230 L N -0.744 120.490 121.223 0.019 0.000 2.591 230 L HA 0.180 4.520 4.340 -0.001 0.000 0.228 230 L C 1.052 177.927 176.870 0.009 0.000 1.133 230 L CA 0.410 55.262 54.840 0.020 0.000 0.880 230 L CB 0.465 42.547 42.059 0.039 0.000 1.033 230 L HN 0.470 nan 8.230 nan 0.000 0.450 231 G N -0.354 108.448 108.800 0.004 0.000 2.192 231 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.193 231 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.193 231 G C 0.392 175.289 174.900 -0.005 0.000 0.999 231 G CA -0.225 44.873 45.100 -0.003 0.000 0.659 231 G HN 0.385 nan 8.290 nan 0.000 0.503 232 A N 0.554 123.377 122.820 0.005 0.000 2.546 232 A HA 0.472 4.791 4.320 -0.001 0.000 0.243 232 A C 1.239 178.806 177.584 -0.028 0.000 1.063 232 A CA 1.024 53.068 52.037 0.013 0.000 0.757 232 A CB 0.238 19.260 19.000 0.036 0.000 0.991 232 A HN 0.266 nan 8.150 nan 0.000 0.503 233 D N 0.321 120.694 120.400 -0.045 0.000 2.194 233 D HA 0.002 4.642 4.640 -0.001 0.000 0.204 233 D C 0.067 176.078 176.300 -0.482 0.000 0.964 233 D CA 1.337 55.211 54.000 -0.210 0.000 0.846 233 D CB 0.112 40.832 40.800 -0.134 0.000 0.962 233 D HN 0.703 nan 8.370 nan 0.000 0.490 234 H N -0.890 118.215 119.070 0.058 0.000 2.961 234 H HA 0.389 4.945 4.556 -0.001 0.000 0.371 234 H C -0.552 174.802 175.328 0.043 0.000 1.190 234 H CA -0.791 55.286 56.048 0.048 0.000 1.138 234 H CB 2.513 32.306 29.762 0.052 0.000 1.816 234 H HN -0.217 nan 8.280 nan 0.000 0.551 235 V N -0.385 119.619 119.914 0.151 0.000 2.823 235 V HA 0.757 4.876 4.120 -0.001 0.000 0.312 235 V C -0.621 175.520 176.094 0.079 0.000 1.072 235 V CA -0.746 61.612 62.300 0.098 0.000 0.937 235 V CB 1.873 33.734 31.823 0.063 0.000 1.013 235 V HN 0.416 nan 8.190 nan 0.000 0.430 236 V N 2.795 122.744 119.914 0.060 0.000 2.577 236 V HA 0.430 4.550 4.120 -0.001 0.000 0.303 236 V C -0.844 175.261 176.094 0.019 0.000 1.042 236 V CA -0.259 62.058 62.300 0.029 0.000 0.872 236 V CB 1.691 33.522 31.823 0.014 0.000 0.998 236 V HN 1.081 nan 8.190 nan 0.000 0.423 237 D N 4.009 124.411 120.400 0.002 0.000 2.352 237 D HA 0.306 4.946 4.640 -0.001 0.000 0.245 237 D C 0.871 177.151 176.300 -0.034 0.000 1.224 237 D CA 0.063 54.061 54.000 -0.003 0.000 0.879 237 D CB 1.917 42.714 40.800 -0.004 0.000 1.057 237 D HN 0.664 nan 8.370 nan 0.000 0.491 238 A N 4.699 127.501 122.820 -0.031 0.000 2.235 238 A HA -0.036 4.284 4.320 -0.001 0.000 0.208 238 A C 1.886 179.405 177.584 -0.110 0.000 1.172 238 A CA 0.286 52.255 52.037 -0.114 0.000 0.786 238 A CB -0.111 18.855 19.000 -0.058 0.000 0.804 238 A HN 0.589 nan 8.150 nan 0.000 0.479 239 R N -0.259 120.212 120.500 -0.049 0.000 2.276 239 R HA 0.054 4.394 4.340 -0.001 0.000 0.203 239 R C 0.122 176.387 176.300 -0.058 0.000 1.017 239 R CA 0.566 56.642 56.100 -0.039 0.000 1.010 239 R CB 0.065 30.357 30.300 -0.014 0.000 0.900 239 R HN 0.333 nan 8.270 nan 0.000 0.469 240 R N 1.563 122.019 120.500 -0.074 0.000 2.664 240 R HA 0.067 4.406 4.340 -0.001 0.000 0.281 240 R C -1.009 175.233 176.300 -0.096 0.000 1.383 240 R CA -0.465 55.594 56.100 -0.069 0.000 1.563 240 R CB 0.563 30.835 30.300 -0.047 0.000 1.131 240 R HN -0.021 nan 8.270 nan 0.000 0.599 241 D N 2.342 122.670 120.400 -0.120 0.000 2.904 241 D HA -0.097 4.543 4.640 -0.001 0.000 0.231 241 D C -1.305 174.893 176.300 -0.171 0.000 1.185 241 D CA 0.064 53.982 54.000 -0.136 0.000 0.783 241 D CB 0.246 40.992 40.800 -0.090 0.000 0.961 241 D HN 0.271 nan 8.370 nan 0.000 0.409 242 P HA -0.162 nan 4.420 nan 0.000 0.216 242 P C 1.780 178.972 177.300 -0.181 0.000 1.150 242 P CA 0.542 63.463 63.100 -0.299 0.000 0.837 242 P CB 0.229 31.526 31.700 -0.673 0.000 0.786 243 V N 1.343 121.166 119.914 -0.152 0.000 2.295 243 V HA -0.233 3.887 4.120 -0.001 0.000 0.246 243 V C 2.882 178.955 176.094 -0.035 0.000 1.049 243 V CA 2.168 64.452 62.300 -0.028 0.000 1.024 243 V CB -1.258 30.584 31.823 0.032 0.000 0.648 243 V HN 0.158 nan 8.190 nan 0.000 0.447 244 K N -0.194 120.172 120.400 -0.057 0.000 2.032 244 K HA -0.253 4.066 4.320 -0.001 0.000 0.209 244 K C 2.266 178.831 176.600 -0.059 0.000 1.048 244 K CA 1.864 58.121 56.287 -0.050 0.000 0.927 244 K CB -0.185 32.284 32.500 -0.052 0.000 0.712 244 K HN 0.530 nan 8.250 nan 0.000 0.441 245 Q N 0.034 119.791 119.800 -0.071 0.000 2.061 245 Q HA -0.156 4.184 4.340 -0.001 0.000 0.204 245 Q C 2.187 178.132 176.000 -0.092 0.000 0.984 245 Q CA 1.817 57.575 55.803 -0.075 0.000 0.846 245 Q CB -0.062 28.634 28.738 -0.070 0.000 0.902 245 Q HN 0.186 nan 8.270 nan 0.000 0.421 246 V N 0.764 120.628 119.914 -0.083 0.000 2.427 246 V HA -0.256 3.864 4.120 -0.001 0.000 0.248 246 V C 2.257 178.273 176.094 -0.131 0.000 1.051 246 V CA 1.284 63.522 62.300 -0.104 0.000 1.048 246 V CB -0.394 31.402 31.823 -0.046 0.000 0.666 246 V HN 0.421 nan 8.190 nan 0.000 0.456 247 M N -0.494 119.058 119.600 -0.080 0.000 2.159 247 M HA -0.175 4.304 4.480 -0.001 0.000 0.263 247 M C 2.121 178.363 176.300 -0.097 0.000 1.063 247 M CA 1.626 56.883 55.300 -0.072 0.000 1.110 247 M CB -1.159 31.425 32.600 -0.027 0.000 1.374 247 M HN 0.452 nan 8.290 nan 0.000 0.411 248 E N 0.232 120.375 120.200 -0.095 0.000 2.051 248 E HA -0.146 4.204 4.350 -0.001 0.000 0.192 248 E C 2.142 178.655 176.600 -0.145 0.000 0.991 248 E CA 1.002 57.345 56.400 -0.095 0.000 0.799 248 E CB -0.209 29.446 29.700 -0.074 0.000 0.748 248 E HN 0.414 nan 8.360 nan 0.000 0.449 249 L N 0.600 121.695 121.223 -0.214 0.000 2.187 249 L HA -0.132 4.207 4.340 -0.001 0.000 0.213 249 L C 2.206 178.819 176.870 -0.428 0.000 1.100 249 L CA 1.420 56.058 54.840 -0.336 0.000 0.765 249 L CB -0.402 41.388 42.059 -0.449 0.000 0.904 249 L HN 0.300 nan 8.230 nan 0.000 0.437 250 T N -4.592 109.713 114.554 -0.415 0.000 3.134 250 T HA 0.244 4.594 4.350 -0.001 0.000 0.260 250 T C 0.726 175.325 174.700 -0.168 0.000 1.027 250 T CA -0.536 61.267 62.100 -0.495 0.000 0.913 250 T CB 0.167 68.718 68.868 -0.529 0.000 1.046 250 T HN 0.155 nan 8.240 nan 0.000 0.553 251 R N 0.676 121.109 120.500 -0.111 0.000 3.525 251 R HA -0.131 4.208 4.340 -0.001 0.000 0.276 251 R C 1.325 177.613 176.300 -0.021 0.000 1.116 251 R CA 0.674 56.751 56.100 -0.039 0.000 0.745 251 R CB -2.283 28.020 30.300 0.005 0.000 1.185 251 R HN 0.938 nan 8.270 nan 0.000 0.454 252 G N -1.089 107.690 108.800 -0.036 0.000 2.162 252 G HA2 -0.395 3.565 3.960 -0.001 0.000 0.260 252 G HA3 -0.395 3.565 3.960 -0.001 0.000 0.260 252 G C 0.961 175.865 174.900 0.006 0.000 0.976 252 G CA 0.479 45.572 45.100 -0.011 0.000 0.655 252 G HN 0.333 nan 8.290 nan 0.000 0.533 253 R N 0.547 121.048 120.500 0.002 0.000 2.210 253 R HA 0.333 4.673 4.340 -0.001 0.000 0.203 253 R C 1.766 178.088 176.300 0.037 0.000 1.010 253 R CA 1.364 57.486 56.100 0.037 0.000 1.008 253 R CB -0.449 29.894 30.300 0.072 0.000 0.923 253 R HN 1.622 nan 8.270 nan 0.000 0.469 254 G N 0.597 109.394 108.800 -0.005 0.000 2.782 254 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.228 254 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.228 254 G C -0.178 174.736 174.900 0.023 0.000 1.372 254 G CA -0.226 44.877 45.100 0.006 0.000 0.862 254 G HN 0.256 nan 8.290 nan 0.000 0.547 255 V N -1.980 117.963 119.914 0.049 0.000 2.617 255 V HA 0.682 4.802 4.120 -0.001 0.000 0.298 255 V C 1.248 177.400 176.094 0.096 0.000 1.048 255 V CA 0.116 62.475 62.300 0.099 0.000 0.964 255 V CB 1.697 33.575 31.823 0.091 0.000 1.004 255 V HN 0.757 nan 8.190 nan 0.000 0.466 256 N N 2.011 120.771 118.700 0.100 0.000 2.216 256 N HA 0.071 4.811 4.740 -0.001 0.000 0.183 256 N C 0.077 175.612 175.510 0.041 0.000 1.017 256 N CA 1.123 54.209 53.050 0.061 0.000 0.861 256 N CB -0.019 38.469 38.487 0.002 0.000 0.986 256 N HN 0.622 nan 8.380 nan 0.000 0.428 257 V N -0.324 119.613 119.914 0.039 0.000 2.760 257 V HA 0.757 4.877 4.120 -0.001 0.000 0.309 257 V C -0.939 175.183 176.094 0.047 0.000 1.077 257 V CA -1.224 61.095 62.300 0.032 0.000 0.910 257 V CB 1.767 33.604 31.823 0.023 0.000 1.008 257 V HN 0.133 nan 8.190 nan 0.000 0.424 258 A N 5.600 128.440 122.820 0.033 0.000 2.355 258 A HA 0.997 5.316 4.320 -0.001 0.000 0.324 258 A C -0.735 176.847 177.584 -0.002 0.000 1.117 258 A CA -0.681 51.377 52.037 0.036 0.000 0.785 258 A CB 1.554 20.571 19.000 0.027 0.000 1.254 258 A HN 0.808 nan 8.150 nan 0.000 0.453 259 M N 2.200 121.803 119.600 0.006 0.000 2.142 259 M HA 0.259 4.739 4.480 -0.001 0.000 0.299 259 M C -1.427 174.776 176.300 -0.162 0.000 0.960 259 M CA -0.573 54.661 55.300 -0.110 0.000 0.920 259 M CB 1.977 34.587 32.600 0.018 0.000 1.541 259 M HN 0.719 nan 8.290 nan 0.000 0.429 260 D N 3.171 123.395 120.400 -0.294 0.000 2.428 260 D HA 0.258 4.897 4.640 -0.001 0.000 0.221 260 D C -0.791 175.328 176.300 -0.301 0.000 1.123 260 D CA -0.152 53.718 54.000 -0.218 0.000 0.869 260 D CB 0.396 41.067 40.800 -0.215 0.000 1.032 260 D HN 0.460 nan 8.370 nan 0.000 0.506 261 F N 2.863 122.808 119.950 -0.008 0.000 2.730 261 F HA 0.119 4.645 4.527 -0.001 0.000 0.295 261 F C 1.348 177.135 175.800 -0.023 0.000 1.143 261 F CA -0.319 57.685 58.000 0.008 0.000 1.367 261 F CB 0.586 39.607 39.000 0.034 0.000 0.970 261 F HN 0.224 nan 8.300 nan 0.000 0.514 262 V N -1.187 118.753 119.914 0.044 0.000 3.134 262 V HA 0.392 4.512 4.120 -0.001 0.000 0.222 262 V C 1.870 177.890 176.094 -0.122 0.000 1.247 262 V CA 0.635 62.912 62.300 -0.039 0.000 1.281 262 V CB -0.226 31.577 31.823 -0.033 0.000 1.169 262 V HN 0.288 nan 8.190 nan 0.000 0.512 263 G N 1.610 110.335 108.800 -0.125 0.000 2.157 263 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.248 263 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.248 263 G C 0.459 175.274 174.900 -0.141 0.000 0.979 263 G CA 0.601 45.618 45.100 -0.139 0.000 0.650 263 G HN 0.993 nan 8.290 nan 0.000 0.529 264 S N -0.652 114.975 115.700 -0.122 0.000 2.600 264 S HA 0.470 4.939 4.470 -0.001 0.000 0.265 264 S C 1.296 175.846 174.600 -0.083 0.000 1.325 264 S CA 0.785 58.934 58.200 -0.085 0.000 1.002 264 S CB 1.598 64.771 63.200 -0.045 0.000 0.921 264 S HN 0.419 nan 8.310 nan 0.000 0.554 265 Q N 1.540 121.308 119.800 -0.055 0.000 2.096 265 Q HA -0.085 4.255 4.340 -0.001 0.000 0.204 265 Q C 2.247 178.227 176.000 -0.034 0.000 0.982 265 Q CA 2.372 58.148 55.803 -0.045 0.000 0.850 265 Q CB -1.212 27.512 28.738 -0.023 0.000 0.901 265 Q HN 0.939 nan 8.270 nan 0.000 0.422 266 A N -0.565 122.251 122.820 -0.006 0.000 1.873 266 A HA -0.254 4.065 4.320 -0.001 0.000 0.218 266 A C 2.306 179.872 177.584 -0.030 0.000 1.193 266 A CA 2.725 54.791 52.037 0.048 0.000 0.629 266 A CB -1.390 17.666 19.000 0.093 0.000 0.826 266 A HN 0.658 nan 8.150 nan 0.000 0.447 267 T N -3.019 111.426 114.554 -0.182 0.000 2.896 267 T HA -0.019 4.331 4.350 -0.001 0.000 0.263 267 T C 1.636 176.025 174.700 -0.519 0.000 1.050 267 T CA 1.256 63.009 62.100 -0.579 0.000 1.140 267 T CB -0.644 67.986 68.868 -0.397 0.000 0.877 267 T HN 0.085 nan 8.240 nan 0.000 0.457 268 V N 2.377 122.125 119.914 -0.278 0.000 2.626 268 V HA -0.127 3.993 4.120 -0.001 0.000 0.252 268 V C 2.513 178.507 176.094 -0.166 0.000 1.067 268 V CA 1.770 63.928 62.300 -0.237 0.000 1.081 268 V CB -0.741 30.974 31.823 -0.178 0.000 0.686 268 V HN 0.422 nan 8.190 nan 0.000 0.468 269 D N 0.103 120.456 120.400 -0.078 0.000 2.084 269 D HA -0.184 4.455 4.640 -0.001 0.000 0.194 269 D C 2.014 178.433 176.300 0.199 0.000 0.990 269 D CA 2.163 56.206 54.000 0.072 0.000 0.826 269 D CB -0.241 40.618 40.800 0.098 0.000 0.971 269 D HN 0.779 nan 8.370 nan 0.000 0.453 270 Y N -0.276 120.089 120.300 0.108 0.000 2.509 270 Y HA 0.177 4.727 4.550 -0.001 0.000 0.270 270 Y C 2.186 178.182 175.900 0.159 0.000 1.103 270 Y CA 1.056 59.255 58.100 0.164 0.000 1.278 270 Y CB -1.015 37.488 38.460 0.072 0.000 1.087 270 Y HN -0.110 nan 8.280 nan 0.000 0.542 271 T N -1.667 112.775 114.554 -0.188 0.000 2.788 271 T HA -0.057 4.292 4.350 -0.001 0.000 0.268 271 T C -0.523 174.136 174.700 -0.068 0.000 1.044 271 T CA 0.959 62.992 62.100 -0.112 0.000 1.139 271 T CB -1.656 67.056 68.868 -0.259 0.000 0.867 271 T HN 0.247 nan 8.240 nan 0.000 0.454 272 P HA -0.020 nan 4.420 nan 0.000 0.220 272 P C 0.642 177.761 177.300 -0.302 0.000 1.148 272 P CA 0.890 63.713 63.100 -0.462 0.000 0.803 272 P CB -0.336 30.667 31.700 -1.162 0.000 0.782 273 Y N -1.198 119.159 120.300 0.095 0.000 2.583 273 Y HA 0.054 4.604 4.550 -0.001 0.000 0.293 273 Y C 2.008 177.985 175.900 0.129 0.000 1.157 273 Y CA 0.356 58.570 58.100 0.190 0.000 1.315 273 Y CB -0.750 37.837 38.460 0.212 0.000 1.021 273 Y HN -0.112 nan 8.280 nan 0.000 0.536 274 L N -0.401 120.944 121.223 0.204 0.000 2.395 274 L HA -0.029 4.310 4.340 -0.001 0.000 0.218 274 L C 0.420 177.344 176.870 0.089 0.000 1.130 274 L CA 0.296 55.220 54.840 0.141 0.000 0.826 274 L CB -0.265 41.876 42.059 0.138 0.000 0.941 274 L HN 0.104 nan 8.230 nan 0.000 0.451 275 L N 0.122 121.386 121.223 0.067 0.000 2.380 275 L HA 0.260 4.600 4.340 -0.001 0.000 0.273 275 L C 1.024 177.931 176.870 0.061 0.000 1.138 275 L CA -0.367 54.502 54.840 0.048 0.000 0.832 275 L CB 0.549 42.615 42.059 0.012 0.000 1.124 275 L HN -0.024 nan 8.230 nan 0.000 0.454 276 G N 2.659 111.495 108.800 0.060 0.000 2.510 276 G HA2 0.350 4.310 3.960 -0.001 0.000 0.280 276 G HA3 0.350 4.310 3.960 -0.001 0.000 0.280 276 G C -0.198 174.734 174.900 0.054 0.000 1.386 276 G CA -0.824 44.316 45.100 0.065 0.000 1.047 276 G HN 0.564 nan 8.290 nan 0.000 0.527 277 R N -0.388 120.145 120.500 0.056 0.000 2.537 277 R HA 0.187 4.527 4.340 -0.001 0.000 0.280 277 R C 0.564 176.886 176.300 0.037 0.000 1.058 277 R CA 0.177 56.302 56.100 0.042 0.000 1.057 277 R CB 0.188 30.513 30.300 0.042 0.000 0.973 277 R HN 0.587 nan 8.270 nan 0.000 0.438 278 M N -0.521 119.086 119.600 0.012 0.000 2.762 278 M HA -0.215 4.265 4.480 -0.001 0.000 0.190 278 M C 0.676 176.977 176.300 0.002 0.000 0.586 278 M CA 1.070 56.370 55.300 0.001 0.000 0.620 278 M CB -1.810 30.799 32.600 0.016 0.000 2.269 278 M HN 0.918 nan 8.290 nan 0.000 0.563 279 G N 1.278 110.079 108.800 0.002 0.000 2.544 279 G HA2 0.487 4.447 3.960 -0.001 0.000 0.242 279 G HA3 0.487 4.447 3.960 -0.001 0.000 0.242 279 G C -0.066 174.813 174.900 -0.035 0.000 1.247 279 G CA -0.399 44.703 45.100 0.003 0.000 0.840 279 G HN 0.474 nan 8.290 nan 0.000 0.578 280 R N 0.296 120.787 120.500 -0.015 0.000 2.561 280 R HA 0.375 4.715 4.340 -0.001 0.000 0.297 280 R C -1.301 175.004 176.300 0.009 0.000 0.969 280 R CA -0.924 55.162 56.100 -0.024 0.000 0.879 280 R CB 2.128 32.417 30.300 -0.017 0.000 1.178 280 R HN 0.369 nan 8.270 nan 0.000 0.445 281 L N 4.574 125.828 121.223 0.052 0.000 2.280 281 L HA 0.430 4.770 4.340 -0.001 0.000 0.287 281 L C -0.938 175.940 176.870 0.013 0.000 1.023 281 L CA -0.553 54.314 54.840 0.046 0.000 0.819 281 L CB 1.062 43.183 42.059 0.102 0.000 1.212 281 L HN 0.504 nan 8.230 nan 0.000 0.420 282 I N 6.901 127.441 120.570 -0.050 0.000 2.312 282 I HA 0.265 4.434 4.170 -0.001 0.000 0.291 282 I C 0.167 176.183 176.117 -0.167 0.000 1.031 282 I CA -0.280 60.967 61.300 -0.088 0.000 1.293 282 I CB 0.742 38.681 38.000 -0.103 0.000 1.403 282 I HN 0.539 nan 8.210 nan 0.000 0.484 283 I N 6.947 127.442 120.570 -0.125 0.000 2.304 283 I HA 0.209 4.379 4.170 -0.001 0.000 0.291 283 I C 0.880 176.915 176.117 -0.137 0.000 1.018 283 I CA -0.063 61.150 61.300 -0.145 0.000 1.260 283 I CB 1.454 39.396 38.000 -0.096 0.000 1.390 283 I HN 0.361 nan 8.210 nan 0.000 0.475 284 V N 5.050 124.835 119.914 -0.215 0.000 2.948 284 V HA 0.224 4.343 4.120 -0.001 0.000 0.234 284 V C 1.303 177.423 176.094 0.043 0.000 1.205 284 V CA 0.309 62.526 62.300 -0.139 0.000 1.234 284 V CB -0.206 31.367 31.823 -0.417 0.000 1.020 284 V HN 0.788 nan 8.190 nan 0.000 0.491 285 G N 0.112 108.896 108.800 -0.027 0.000 2.594 285 G HA2 0.384 4.343 3.960 -0.001 0.000 0.243 285 G HA3 0.384 4.343 3.960 -0.001 0.000 0.243 285 G C -0.811 174.117 174.900 0.046 0.000 1.229 285 G CA 0.410 45.513 45.100 0.005 0.000 0.843 285 G HN 0.533 nan 8.290 nan 0.000 0.578 286 Y N -2.373 117.914 120.300 -0.022 0.000 2.677 286 Y HA 0.738 5.288 4.550 -0.001 0.000 0.334 286 Y C 0.798 176.570 175.900 -0.213 0.000 1.154 286 Y CA -0.775 57.255 58.100 -0.117 0.000 1.070 286 Y CB 1.542 39.930 38.460 -0.119 0.000 1.294 286 Y HN 1.307 nan 8.280 nan 0.000 0.475 287 G N -0.592 108.150 108.800 -0.097 0.000 2.905 287 G HA2 0.066 4.026 3.960 -0.001 0.000 0.196 287 G HA3 0.066 4.026 3.960 -0.001 0.000 0.196 287 G C 0.340 175.161 174.900 -0.131 0.000 1.044 287 G CA -0.230 44.738 45.100 -0.219 0.000 0.778 287 G HN 1.338 nan 8.290 nan 0.000 0.474 288 G N 0.085 108.821 108.800 -0.107 0.000 2.528 288 G HA2 0.541 4.501 3.960 -0.001 0.000 0.289 288 G HA3 0.541 4.501 3.960 -0.001 0.000 0.289 288 G C -0.575 174.275 174.900 -0.084 0.000 1.192 288 G CA 0.197 45.243 45.100 -0.089 0.000 0.921 288 G HN 0.385 nan 8.290 nan 0.000 0.512 289 E N -0.462 119.695 120.200 -0.072 0.000 2.156 289 E HA 0.367 4.717 4.350 -0.001 0.000 0.279 289 E C -0.447 176.108 176.600 -0.074 0.000 0.965 289 E CA -0.742 55.618 56.400 -0.067 0.000 0.789 289 E CB 1.307 30.977 29.700 -0.049 0.000 1.098 289 E HN 0.316 nan 8.360 nan 0.000 0.397 290 L N 5.443 126.609 121.223 -0.095 0.000 2.410 290 L HA 0.283 4.623 4.340 -0.001 0.000 0.273 290 L C -0.821 176.014 176.870 -0.058 0.000 1.144 290 L CA 0.631 55.390 54.840 -0.134 0.000 0.863 290 L CB 0.088 42.027 42.059 -0.199 0.000 1.140 290 L HN 0.554 nan 8.230 nan 0.000 0.463 291 R N 6.174 126.666 120.500 -0.014 0.000 2.510 291 R HA 0.503 4.843 4.340 -0.001 0.000 0.294 291 R C -1.684 174.735 176.300 0.197 0.000 1.056 291 R CA -0.663 55.481 56.100 0.074 0.000 0.918 291 R CB 1.544 31.880 30.300 0.059 0.000 1.187 291 R HN 0.547 nan 8.270 nan 0.000 0.437 292 F N 2.802 122.752 119.950 -0.001 0.000 2.622 292 F HA 0.392 4.918 4.527 -0.001 0.000 0.318 292 F C -2.493 173.344 175.800 0.062 0.000 1.135 292 F CA -1.999 56.013 58.000 0.020 0.000 1.015 292 F CB 1.955 40.936 39.000 -0.032 0.000 1.275 292 F HN 0.328 nan 8.300 nan 0.000 0.457 293 P HA 0.202 nan 4.420 nan 0.000 0.271 293 P C 0.665 177.886 177.300 -0.132 0.000 1.220 293 P CA -0.068 62.894 63.100 -0.231 0.000 0.768 293 P CB 0.862 32.395 31.700 -0.278 0.000 0.848 294 T N 0.021 114.571 114.554 -0.007 0.000 2.881 294 T HA -0.189 4.161 4.350 -0.001 0.000 0.270 294 T C 1.640 176.340 174.700 -0.001 0.000 1.068 294 T CA 0.686 62.807 62.100 0.035 0.000 1.131 294 T CB -0.739 68.150 68.868 0.036 0.000 0.871 294 T HN 0.383 nan 8.240 nan 0.000 0.479 295 I N 0.586 121.133 120.570 -0.039 0.000 2.361 295 I HA -0.138 4.031 4.170 -0.001 0.000 0.251 295 I C 2.758 178.856 176.117 -0.031 0.000 1.133 295 I CA 1.082 62.363 61.300 -0.032 0.000 1.413 295 I CB -0.033 37.945 38.000 -0.037 0.000 1.073 295 I HN 0.160 nan 8.210 nan 0.000 0.424 296 R N -0.359 120.092 120.500 -0.081 0.000 2.093 296 R HA -0.059 4.281 4.340 -0.001 0.000 0.224 296 R C 2.191 178.571 176.300 0.133 0.000 1.101 296 R CA 1.195 57.276 56.100 -0.032 0.000 0.979 296 R CB -0.341 29.791 30.300 -0.281 0.000 0.877 296 R HN 0.268 nan 8.270 nan 0.000 0.441 297 V N 2.187 122.210 119.914 0.183 0.000 2.255 297 V HA -0.281 3.839 4.120 -0.001 0.000 0.247 297 V C 2.322 178.425 176.094 0.015 0.000 1.051 297 V CA 2.229 64.605 62.300 0.126 0.000 1.018 297 V CB -0.491 31.387 31.823 0.091 0.000 0.641 297 V HN 0.363 nan 8.190 nan 0.000 0.445 298 I N 0.289 120.866 120.570 0.012 0.000 2.406 298 I HA -0.079 4.090 4.170 -0.001 0.000 0.249 298 I C 2.455 178.573 176.117 0.001 0.000 1.122 298 I CA 1.970 63.267 61.300 -0.006 0.000 1.431 298 I CB -1.028 36.968 38.000 -0.007 0.000 1.087 298 I HN 0.276 nan 8.210 nan 0.000 0.424 299 S N -0.078 115.628 115.700 0.011 0.000 2.423 299 S HA -0.028 4.441 4.470 -0.001 0.000 0.231 299 S C 1.896 176.509 174.600 0.021 0.000 1.014 299 S CA 1.177 59.385 58.200 0.013 0.000 0.965 299 S CB -0.901 62.307 63.200 0.014 0.000 0.785 299 S HN 0.498 nan 8.310 nan 0.000 0.495 300 S N 0.601 116.320 115.700 0.032 0.000 2.524 300 S HA 0.229 4.699 4.470 -0.001 0.000 0.216 300 S C 0.353 174.954 174.600 0.002 0.000 0.987 300 S CA 0.088 58.307 58.200 0.032 0.000 0.909 300 S CB -0.395 62.842 63.200 0.062 0.000 0.781 300 S HN 0.703 nan 8.310 nan 0.000 0.521 301 E N 1.289 121.479 120.200 -0.017 0.000 2.252 301 E HA -0.178 4.172 4.350 -0.001 0.000 0.218 301 E C -0.237 176.313 176.600 -0.085 0.000 1.253 301 E CA 0.006 56.378 56.400 -0.046 0.000 0.705 301 E CB -1.322 28.360 29.700 -0.030 0.000 1.172 301 E HN 0.413 nan 8.360 nan 0.000 0.369 302 V N -1.273 118.557 119.914 -0.140 0.000 3.109 302 V HA 0.855 4.974 4.120 -0.001 0.000 0.317 302 V C 0.384 176.225 176.094 -0.422 0.000 1.074 302 V CA 0.006 62.163 62.300 -0.238 0.000 1.033 302 V CB 1.994 33.664 31.823 -0.256 0.000 1.111 302 V HN 0.354 nan 8.190 nan 0.000 0.458 303 S N 0.530 115.959 115.700 -0.452 0.000 2.599 303 S HA 0.821 5.291 4.470 -0.001 0.000 0.287 303 S C -1.165 173.151 174.600 -0.474 0.000 1.105 303 S CA -0.684 57.221 58.200 -0.491 0.000 0.899 303 S CB 1.644 64.715 63.200 -0.215 0.000 1.100 303 S HN 0.672 nan 8.310 nan 0.000 0.482 304 F N 0.359 120.250 119.950 -0.099 0.000 2.507 304 F HA 0.509 5.036 4.527 -0.001 0.000 0.328 304 F C 0.070 175.821 175.800 -0.081 0.000 1.136 304 F CA -0.651 57.280 58.000 -0.116 0.000 0.930 304 F CB 1.993 40.913 39.000 -0.134 0.000 1.166 304 F HN 0.571 nan 8.300 nan 0.000 0.436 305 E N 2.048 122.303 120.200 0.092 0.000 2.244 305 E HA 0.359 4.708 4.350 -0.001 0.000 0.260 305 E C -0.111 176.497 176.600 0.013 0.000 0.884 305 E CA -0.803 55.616 56.400 0.032 0.000 0.777 305 E CB 2.252 31.956 29.700 0.006 0.000 1.197 305 E HN 0.759 nan 8.360 nan 0.000 0.416 306 G N 1.404 110.215 108.800 0.018 0.000 2.483 306 G HA2 0.272 4.231 3.960 -0.001 0.000 0.248 306 G HA3 0.272 4.231 3.960 -0.001 0.000 0.248 306 G C -0.341 174.573 174.900 0.025 0.000 1.248 306 G CA -0.146 44.962 45.100 0.014 0.000 0.838 306 G HN 0.302 nan 8.290 nan 0.000 0.566 307 S N -0.096 115.618 115.700 0.024 0.000 2.538 307 S HA 0.538 5.008 4.470 -0.001 0.000 0.288 307 S C -1.262 173.384 174.600 0.077 0.000 1.108 307 S CA -0.624 57.606 58.200 0.051 0.000 0.971 307 S CB 1.340 64.555 63.200 0.025 0.000 1.041 307 S HN 0.694 nan 8.310 nan 0.000 0.483 308 L N 7.139 128.422 121.223 0.101 0.000 2.372 308 L HA 0.625 4.964 4.340 -0.001 0.000 0.273 308 L C 0.371 177.307 176.870 0.110 0.000 0.989 308 L CA 0.015 54.910 54.840 0.092 0.000 0.841 308 L CB 0.705 42.799 42.059 0.059 0.000 1.225 308 L HN 0.691 nan 8.230 nan 0.000 0.414 309 V N 3.547 123.544 119.914 0.138 0.000 0.690 309 V HA -0.150 3.969 4.120 -0.001 0.000 0.092 309 V C 0.899 177.089 176.094 0.160 0.000 0.779 309 V CA 1.416 63.811 62.300 0.158 0.000 3.099 309 V CB -2.017 29.916 31.823 0.185 0.000 0.188 309 V HN 1.333 nan 8.190 nan 0.000 0.084 310 G N -0.432 108.476 108.800 0.180 0.000 2.488 310 G HA2 0.634 4.594 3.960 -0.001 0.000 0.301 310 G HA3 0.634 4.594 3.960 -0.001 0.000 0.301 310 G C -1.318 173.784 174.900 0.338 0.000 1.339 310 G CA -0.054 45.179 45.100 0.222 0.000 0.803 310 G HN 1.506 nan 8.290 nan 0.000 0.482 311 N N -1.740 117.132 118.700 0.286 0.000 2.491 311 N HA 0.363 5.103 4.740 -0.001 0.000 0.279 311 N C 0.870 176.533 175.510 0.256 0.000 1.236 311 N CA -0.818 52.382 53.050 0.250 0.000 0.982 311 N CB 0.749 39.330 38.487 0.156 0.000 1.194 311 N HN 0.519 nan 8.380 nan 0.000 0.582 312 Y N -0.007 120.264 120.300 -0.048 0.000 2.181 312 Y HA -0.098 4.452 4.550 -0.001 0.000 0.288 312 Y C 1.870 177.820 175.900 0.083 0.000 1.146 312 Y CA 1.566 59.647 58.100 -0.031 0.000 1.164 312 Y CB -0.241 38.127 38.460 -0.153 0.000 0.982 312 Y HN 0.305 nan 8.280 nan 0.000 0.515 313 V N 0.525 120.558 119.914 0.198 0.000 2.332 313 V HA -0.317 3.802 4.120 -0.001 0.000 0.248 313 V C 2.103 178.277 176.094 0.133 0.000 1.055 313 V CA 2.339 64.722 62.300 0.139 0.000 1.038 313 V CB -0.618 31.289 31.823 0.140 0.000 0.651 313 V HN 0.428 nan 8.190 nan 0.000 0.450 314 E N -0.278 120.029 120.200 0.179 0.000 2.077 314 E HA -0.251 4.098 4.350 -0.001 0.000 0.193 314 E C 2.121 178.754 176.600 0.055 0.000 0.989 314 E CA 1.378 57.932 56.400 0.256 0.000 0.800 314 E CB -0.244 29.666 29.700 0.350 0.000 0.746 314 E HN 0.422 nan 8.360 nan 0.000 0.452 315 L N 0.439 121.680 121.223 0.030 0.000 2.046 315 L HA -0.188 4.151 4.340 -0.001 0.000 0.208 315 L C 2.212 178.976 176.870 -0.176 0.000 1.077 315 L CA 2.031 56.818 54.840 -0.088 0.000 0.747 315 L CB -0.552 41.479 42.059 -0.045 0.000 0.896 315 L HN 0.136 nan 8.230 nan 0.000 0.432 316 H N -0.447 118.467 119.070 -0.260 0.000 2.353 316 H HA -0.142 4.414 4.556 -0.001 0.000 0.300 316 H C 2.109 177.331 175.328 -0.178 0.000 1.090 316 H CA 2.208 58.118 56.048 -0.228 0.000 1.327 316 H CB 0.168 29.806 29.762 -0.207 0.000 1.383 316 H HN 0.513 nan 8.280 nan 0.000 0.508 317 E N -0.447 119.706 120.200 -0.079 0.000 2.106 317 E HA -0.139 4.211 4.350 -0.001 0.000 0.192 317 E C 2.086 178.451 176.600 -0.393 0.000 0.984 317 E CA 0.958 57.268 56.400 -0.149 0.000 0.806 317 E CB -0.047 29.648 29.700 -0.008 0.000 0.750 317 E HN 0.360 nan 8.360 nan 0.000 0.458 318 L N 0.573 121.431 121.223 -0.609 0.000 2.056 318 L HA -0.127 4.213 4.340 -0.001 0.000 0.207 318 L C 2.160 178.823 176.870 -0.345 0.000 1.078 318 L CA 1.207 55.676 54.840 -0.619 0.000 0.749 318 L CB -0.191 41.502 42.059 -0.610 0.000 0.901 318 L HN -0.068 nan 8.230 nan 0.000 0.433 319 V N -0.425 119.302 119.914 -0.312 0.000 2.332 319 V HA -0.330 3.790 4.120 -0.001 0.000 0.248 319 V C 2.505 178.451 176.094 -0.247 0.000 1.055 319 V CA 2.278 64.419 62.300 -0.264 0.000 1.038 319 V CB -1.064 30.583 31.823 -0.294 0.000 0.651 319 V HN 0.567 nan 8.190 nan 0.000 0.450 320 T N 0.341 114.725 114.554 -0.283 0.000 2.652 320 T HA -0.202 4.147 4.350 -0.001 0.000 0.267 320 T C 1.892 176.510 174.700 -0.136 0.000 1.039 320 T CA 1.762 63.743 62.100 -0.197 0.000 1.153 320 T CB -0.362 68.408 68.868 -0.163 0.000 0.863 320 T HN 0.299 nan 8.240 nan 0.000 0.428 321 L N 0.571 121.707 121.223 -0.144 0.000 2.043 321 L HA -0.198 4.142 4.340 -0.001 0.000 0.212 321 L C 3.000 179.815 176.870 -0.091 0.000 1.075 321 L CA 1.452 56.232 54.840 -0.101 0.000 0.752 321 L CB -0.660 41.334 42.059 -0.107 0.000 0.891 321 L HN 0.281 nan 8.230 nan 0.000 0.432 322 A N -0.147 122.604 122.820 -0.115 0.000 1.898 322 A HA -0.142 4.178 4.320 -0.001 0.000 0.216 322 A C 2.186 179.724 177.584 -0.076 0.000 1.181 322 A CA 1.251 53.232 52.037 -0.092 0.000 0.620 322 A CB -0.623 18.313 19.000 -0.106 0.000 0.819 322 A HN 0.380 nan 8.150 nan 0.000 0.442 323 L N -0.834 120.336 121.223 -0.088 0.000 2.201 323 L HA -0.190 4.150 4.340 -0.001 0.000 0.212 323 L C 2.505 179.344 176.870 -0.051 0.000 1.105 323 L CA 1.061 55.859 54.840 -0.070 0.000 0.775 323 L CB -0.412 41.597 42.059 -0.082 0.000 0.913 323 L HN 0.488 nan 8.230 nan 0.000 0.440 324 Q N -0.156 119.613 119.800 -0.051 0.000 2.451 324 Q HA 0.054 4.393 4.340 -0.001 0.000 0.206 324 Q C 1.326 177.309 176.000 -0.028 0.000 0.947 324 Q CA 0.537 56.320 55.803 -0.035 0.000 0.937 324 Q CB 0.282 29.002 28.738 -0.031 0.000 1.025 324 Q HN 0.571 nan 8.270 nan 0.000 0.511 325 G N 1.528 110.308 108.800 -0.033 0.000 2.176 325 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.252 325 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.252 325 G C 0.533 175.420 174.900 -0.023 0.000 1.024 325 G CA 0.541 45.625 45.100 -0.026 0.000 0.755 325 G HN 0.314 nan 8.290 nan 0.000 0.507 326 K N -1.107 119.276 120.400 -0.027 0.000 2.367 326 K HA 0.467 4.787 4.320 -0.001 0.000 0.194 326 K C 0.452 177.038 176.600 -0.024 0.000 1.027 326 K CA 0.584 56.860 56.287 -0.019 0.000 1.075 326 K CB 1.400 33.892 32.500 -0.014 0.000 0.845 326 K HN 0.440 nan 8.250 nan 0.000 0.529 327 V N 0.748 120.640 119.914 -0.036 0.000 2.888 327 V HA 0.447 4.567 4.120 -0.001 0.000 0.309 327 V C -1.895 174.174 176.094 -0.043 0.000 1.114 327 V CA -0.885 61.388 62.300 -0.045 0.000 0.940 327 V CB 2.159 33.945 31.823 -0.061 0.000 1.021 327 V HN 0.079 nan 8.190 nan 0.000 0.426 328 R N 4.363 124.844 120.500 -0.032 0.000 2.533 328 R HA 0.660 5.000 4.340 -0.001 0.000 0.288 328 R C -1.739 174.576 176.300 0.025 0.000 1.039 328 R CA -0.476 55.619 56.100 -0.009 0.000 0.909 328 R CB 2.261 32.562 30.300 0.003 0.000 1.195 328 R HN 0.634 nan 8.270 nan 0.000 0.438 329 V N 2.980 122.920 119.914 0.044 0.000 2.583 329 V HA 0.099 4.219 4.120 -0.001 0.000 0.287 329 V C 0.317 176.528 176.094 0.196 0.000 1.051 329 V CA -0.383 62.018 62.300 0.169 0.000 1.010 329 V CB 1.275 33.161 31.823 0.105 0.000 0.988 329 V HN 0.684 nan 8.190 nan 0.000 0.478 330 E N 4.604 124.998 120.200 0.323 0.000 2.129 330 E HA 0.394 4.744 4.350 -0.001 0.000 0.283 330 E C -0.603 175.972 176.600 -0.043 0.000 1.080 330 E CA -0.307 56.099 56.400 0.009 0.000 0.867 330 E CB 0.894 30.475 29.700 -0.200 0.000 1.056 330 E HN 0.626 nan 8.360 nan 0.000 0.404 331 V N 1.779 121.686 119.914 -0.012 0.000 2.604 331 V HA 0.582 4.701 4.120 -0.001 0.000 0.305 331 V C -0.656 175.433 176.094 -0.008 0.000 1.043 331 V CA -1.073 61.226 62.300 -0.001 0.000 0.888 331 V CB 1.934 33.765 31.823 0.014 0.000 0.995 331 V HN 0.600 nan 8.190 nan 0.000 0.429 332 D N 4.563 124.972 120.400 0.014 0.000 2.441 332 D HA 0.432 5.071 4.640 -0.001 0.000 0.231 332 D C -0.485 175.858 176.300 0.072 0.000 1.073 332 D CA -0.462 53.565 54.000 0.044 0.000 0.850 332 D CB 1.077 41.932 40.800 0.091 0.000 1.062 332 D HN 0.478 nan 8.370 nan 0.000 0.524 333 I N 4.686 125.223 120.570 -0.056 0.000 2.371 333 I HA 0.252 4.422 4.170 -0.001 0.000 0.290 333 I C 0.542 176.469 176.117 -0.316 0.000 1.028 333 I CA -0.201 61.043 61.300 -0.093 0.000 1.345 333 I CB 0.432 38.374 38.000 -0.097 0.000 1.407 333 I HN 0.471 nan 8.210 nan 0.000 0.501 334 H N 4.947 123.997 119.070 -0.033 0.000 2.907 334 H HA 0.468 5.023 4.556 -0.001 0.000 0.361 334 H C -0.311 174.991 175.328 -0.043 0.000 1.194 334 H CA -0.925 55.098 56.048 -0.042 0.000 1.152 334 H CB 2.241 31.968 29.762 -0.057 0.000 1.867 334 H HN 0.273 nan 8.280 nan 0.000 0.561 335 K N 1.425 121.873 120.400 0.079 0.000 2.118 335 K HA 0.052 4.372 4.320 -0.001 0.000 0.264 335 K C 1.142 177.742 176.600 -0.000 0.000 1.000 335 K CA -0.574 55.726 56.287 0.022 0.000 0.929 335 K CB 1.798 34.304 32.500 0.010 0.000 1.021 335 K HN 0.311 nan 8.250 nan 0.000 0.463 336 L N 2.582 123.794 121.223 -0.017 0.000 2.051 336 L HA -0.268 4.071 4.340 -0.001 0.000 0.214 336 L C 1.288 178.113 176.870 -0.074 0.000 1.076 336 L CA 2.339 57.149 54.840 -0.051 0.000 0.758 336 L CB -0.675 41.377 42.059 -0.013 0.000 0.890 336 L HN 0.791 nan 8.230 nan 0.000 0.433 337 D N -1.648 118.727 120.400 -0.041 0.000 2.371 337 D HA -0.169 4.471 4.640 -0.001 0.000 0.221 337 D C 1.404 177.670 176.300 -0.057 0.000 0.986 337 D CA 0.961 54.934 54.000 -0.044 0.000 0.899 337 D CB -0.500 40.286 40.800 -0.023 0.000 0.902 337 D HN 0.589 nan 8.370 nan 0.000 0.530 338 E N -0.291 119.875 120.200 -0.057 0.000 2.465 338 E HA 0.131 4.481 4.350 -0.001 0.000 0.191 338 E C 1.665 178.178 176.600 -0.144 0.000 1.053 338 E CA -0.333 56.023 56.400 -0.073 0.000 0.869 338 E CB 0.040 29.735 29.700 -0.008 0.000 0.977 338 E HN 0.357 nan 8.360 nan 0.000 0.483 339 I N 1.628 122.088 120.570 -0.182 0.000 2.185 339 I HA -0.380 3.789 4.170 -0.001 0.000 0.246 339 I C 1.669 177.654 176.117 -0.220 0.000 1.088 339 I CA 1.374 62.510 61.300 -0.273 0.000 1.347 339 I CB 0.087 37.844 38.000 -0.405 0.000 1.041 339 I HN 0.127 nan 8.210 nan 0.000 0.415 340 N N 0.767 119.371 118.700 -0.160 0.000 2.244 340 N HA -0.171 4.569 4.740 -0.001 0.000 0.183 340 N C 1.413 176.848 175.510 -0.125 0.000 1.016 340 N CA 1.449 54.423 53.050 -0.126 0.000 0.866 340 N CB -0.442 37.990 38.487 -0.092 0.000 0.980 340 N HN 0.444 nan 8.380 nan 0.000 0.430 341 D N 0.585 120.904 120.400 -0.135 0.000 2.117 341 D HA -0.074 4.565 4.640 -0.001 0.000 0.197 341 D C 2.097 178.286 176.300 -0.185 0.000 0.987 341 D CA 0.532 54.446 54.000 -0.143 0.000 0.829 341 D CB -0.234 40.477 40.800 -0.149 0.000 0.961 341 D HN -0.018 nan 8.370 nan 0.000 0.460 342 V N 0.802 120.575 119.914 -0.235 0.000 2.343 342 V HA -0.201 3.919 4.120 -0.001 0.000 0.247 342 V C 2.598 178.583 176.094 -0.181 0.000 1.051 342 V CA 1.091 63.240 62.300 -0.251 0.000 1.036 342 V CB -0.432 31.229 31.823 -0.270 0.000 0.654 342 V HN 0.205 nan 8.190 nan 0.000 0.451 343 L N -0.387 120.736 121.223 -0.166 0.000 2.046 343 L HA -0.213 4.127 4.340 -0.001 0.000 0.208 343 L C 2.581 179.375 176.870 -0.127 0.000 1.077 343 L CA 1.744 56.500 54.840 -0.140 0.000 0.747 343 L CB -0.644 41.344 42.059 -0.118 0.000 0.896 343 L HN 0.385 nan 8.230 nan 0.000 0.432 344 E N -0.119 120.014 120.200 -0.111 0.000 2.085 344 E HA -0.233 4.117 4.350 -0.001 0.000 0.194 344 E C 2.366 178.913 176.600 -0.088 0.000 0.994 344 E CA 1.124 57.471 56.400 -0.088 0.000 0.801 344 E CB -0.052 29.603 29.700 -0.076 0.000 0.743 344 E HN 0.402 nan 8.360 nan 0.000 0.453 345 R N 0.229 120.667 120.500 -0.103 0.000 2.081 345 R HA -0.133 4.207 4.340 -0.001 0.000 0.235 345 R C 2.438 178.687 176.300 -0.085 0.000 1.131 345 R CA 0.821 56.866 56.100 -0.092 0.000 0.960 345 R CB -0.307 29.925 30.300 -0.114 0.000 0.856 345 R HN 0.110 nan 8.270 nan 0.000 0.436 346 L N 1.295 122.451 121.223 -0.112 0.000 2.093 346 L HA -0.151 4.189 4.340 -0.001 0.000 0.208 346 L C 2.155 178.940 176.870 -0.141 0.000 1.085 346 L CA 1.843 56.611 54.840 -0.119 0.000 0.755 346 L CB -0.371 41.593 42.059 -0.157 0.000 0.904 346 L HN 0.051 nan 8.230 nan 0.000 0.435 347 E N 0.012 120.117 120.200 -0.157 0.000 2.153 347 E HA -0.230 4.120 4.350 -0.001 0.000 0.194 347 E C 1.869 178.450 176.600 -0.030 0.000 0.988 347 E CA 1.567 57.895 56.400 -0.120 0.000 0.811 347 E CB -0.085 29.558 29.700 -0.094 0.000 0.746 347 E HN 0.465 nan 8.360 nan 0.000 0.466 348 K N -1.311 119.070 120.400 -0.032 0.000 2.404 348 K HA 0.191 4.511 4.320 -0.001 0.000 0.194 348 K C 0.692 177.294 176.600 0.002 0.000 1.023 348 K CA 0.453 56.734 56.287 -0.010 0.000 1.094 348 K CB 0.493 32.981 32.500 -0.020 0.000 0.841 348 K HN 0.269 nan 8.250 nan 0.000 0.523 349 G N 2.062 110.865 108.800 0.006 0.000 2.147 349 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.244 349 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.244 349 G C 0.054 174.954 174.900 0.001 0.000 1.005 349 G CA 0.099 45.210 45.100 0.019 0.000 0.713 349 G HN 0.459 nan 8.290 nan 0.000 0.515 350 E N -0.629 119.561 120.200 -0.017 0.000 2.437 350 E HA 0.348 4.697 4.350 -0.001 0.000 0.195 350 E C 0.108 176.690 176.600 -0.031 0.000 1.029 350 E CA -0.087 56.298 56.400 -0.024 0.000 0.948 350 E CB 1.000 30.680 29.700 -0.033 0.000 1.082 350 E HN 0.296 nan 8.360 nan 0.000 0.456 351 V N 2.092 121.989 119.914 -0.029 0.000 2.407 351 V HA 0.189 4.309 4.120 -0.001 0.000 0.291 351 V C -0.518 175.554 176.094 -0.038 0.000 1.018 351 V CA -0.886 61.395 62.300 -0.033 0.000 0.842 351 V CB 1.604 33.405 31.823 -0.037 0.000 0.996 351 V HN 0.168 nan 8.190 nan 0.000 0.426 352 L N 6.403 127.597 121.223 -0.049 0.000 2.325 352 L HA 0.739 5.079 4.340 -0.001 0.000 0.284 352 L C 0.939 177.713 176.870 -0.160 0.000 1.089 352 L CA 1.893 56.682 54.840 -0.085 0.000 0.836 352 L CB 0.112 42.130 42.059 -0.068 0.000 1.184 352 L HN 0.983 nan 8.230 nan 0.000 0.444 353 G N 3.961 112.607 108.800 -0.257 0.000 2.536 353 G HA2 -0.313 3.646 3.960 -0.001 0.000 0.277 353 G HA3 -0.313 3.646 3.960 -0.001 0.000 0.277 353 G C -0.356 174.441 174.900 -0.171 0.000 1.155 353 G CA 0.261 45.060 45.100 -0.503 0.000 0.960 353 G HN 0.820 nan 8.290 nan 0.000 0.544 354 R N 0.950 121.398 120.500 -0.088 0.000 2.480 354 R HA 0.738 5.078 4.340 -0.001 0.000 0.306 354 R C 0.308 176.621 176.300 0.021 0.000 0.958 354 R CA 0.393 56.507 56.100 0.023 0.000 0.861 354 R CB 1.160 31.517 30.300 0.096 0.000 1.171 354 R HN 1.464 nan 8.270 nan 0.000 0.445 355 A N 3.295 126.131 122.820 0.027 0.000 2.401 355 A HA 0.570 4.890 4.320 -0.001 0.000 0.259 355 A C -0.760 176.858 177.584 0.055 0.000 1.103 355 A CA -0.373 51.691 52.037 0.046 0.000 0.789 355 A CB 0.764 19.771 19.000 0.011 0.000 1.035 355 A HN 0.467 nan 8.150 nan 0.000 0.491 356 V N 3.720 123.674 119.914 0.066 0.000 2.588 356 V HA 0.359 4.478 4.120 -0.001 0.000 0.304 356 V C -0.312 175.820 176.094 0.064 0.000 1.042 356 V CA -0.368 61.969 62.300 0.062 0.000 0.877 356 V CB 1.573 33.419 31.823 0.037 0.000 0.996 356 V HN 0.780 nan 8.190 nan 0.000 0.425 357 L N 5.901 127.167 121.223 0.072 0.000 2.307 357 L HA 0.677 5.017 4.340 -0.001 0.000 0.282 357 L C -0.237 176.661 176.870 0.047 0.000 1.051 357 L CA -0.521 54.348 54.840 0.049 0.000 0.804 357 L CB 1.510 43.571 42.059 0.004 0.000 1.197 357 L HN 0.645 nan 8.230 nan 0.000 0.431 358 I N 0.480 121.065 120.570 0.024 0.000 2.603 358 I HA 0.647 4.816 4.170 -0.001 0.000 0.300 358 I C -2.379 173.742 176.117 0.006 0.000 1.017 358 I CA -2.380 58.929 61.300 0.014 0.000 1.098 358 I CB 1.911 39.914 38.000 0.004 0.000 1.279 358 I HN 0.320 nan 8.210 nan 0.000 0.437 359 P HA 0.000 nan 4.420 nan 0.000 0.216 359 P CA 0.000 63.091 63.100 -0.015 0.000 0.800 359 P CB 0.000 31.675 31.700 -0.042 0.000 0.726