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 2ox4_1_F DATA FIRST_RESID 0 DATA SEQUENCE SLKITKIEIF HVHTRPQSGQ RPILVKVSTD EGIYGLGEAG IAYGVGGSAA DATA SEQUENCE AGILKDYAAL LIGEDPFNTE AIWEKLFKKT FWGQGGGTVI FSGISAFDIA DATA SEQUENCE FWDIKGKALN LPVYKLLGGK NREDLRVYAS QLQFGWGKER KSKGRKEEYA DATA SEQUENCE EEALKAVAEG YDAVKVDVLA HDRNGSREGV FLEGPLPSET IKIGVERVEA DATA SEQUENCE IRNAVGPDVD IIVENHGHTD LVSAIQFAKA IEEFNIFFYE EINTPLNPRL DATA SEQUENCE LKEAKKKIDI PLASGERIYS RWGFLPFLED RSIDVIQPDL GTCGGFTEFK DATA SEQUENCE KIADMAHIFE VTVQAHVAGT GVAEAASLHA EIAIPNFCIH EHHQKTLLPE DATA SEQUENCE YEELCVHNYQ PVKGRYKVPE LPGIGQDITE KLYQISDYVS IEA 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 0 S HA 0.000 nan 4.470 nan 0.000 0.327 0 S C 0.000 174.580 174.600 -0.033 0.000 1.055 0 S CA 0.000 58.166 58.200 -0.056 0.000 1.107 0 S CB 0.000 63.138 63.200 -0.104 0.000 0.593 1 L N 2.960 124.164 121.223 -0.032 0.000 2.462 1 L HA 0.518 4.858 4.340 0.001 0.000 0.272 1 L C -0.325 176.555 176.870 0.017 0.000 1.166 1 L CA 1.004 55.853 54.840 0.016 0.000 0.880 1 L CB -0.270 41.830 42.059 0.069 0.000 1.142 1 L HN 0.573 nan 8.230 nan 0.000 0.473 2 K N 5.309 125.726 120.400 0.028 0.000 2.427 2 K HA 0.468 4.788 4.320 0.001 0.000 0.252 2 K C -0.849 175.779 176.600 0.046 0.000 0.931 2 K CA -0.813 55.486 56.287 0.020 0.000 0.793 2 K CB 1.917 34.425 32.500 0.014 0.000 1.211 2 K HN 0.448 nan 8.250 nan 0.000 0.426 3 I N 2.647 123.241 120.570 0.041 0.000 2.598 3 I HA -0.079 4.092 4.170 0.001 0.000 0.284 3 I C 1.495 177.656 176.117 0.075 0.000 1.140 3 I CA 0.523 61.873 61.300 0.083 0.000 1.420 3 I CB 0.765 38.821 38.000 0.094 0.000 1.387 3 I HN 0.814 nan 8.210 nan 0.000 0.553 4 T N 1.989 116.600 114.554 0.095 0.000 2.990 4 T HA 0.191 4.541 4.350 0.001 0.000 0.249 4 T C 0.456 175.208 174.700 0.086 0.000 1.039 4 T CA -0.125 62.023 62.100 0.080 0.000 1.036 4 T CB 0.456 69.372 68.868 0.080 0.000 0.994 4 T HN 0.536 nan 8.240 nan 0.000 0.489 5 K N 0.293 120.760 120.400 0.112 0.000 2.557 5 K HA 0.598 4.918 4.320 0.001 0.000 0.261 5 K C -2.260 174.423 176.600 0.139 0.000 0.932 5 K CA -0.801 55.550 56.287 0.108 0.000 0.829 5 K CB 2.232 34.796 32.500 0.107 0.000 1.358 5 K HN 0.186 nan 8.250 nan 0.000 0.430 6 I N 2.860 123.498 120.570 0.113 0.000 2.499 6 I HA 0.278 4.449 4.170 0.001 0.000 0.288 6 I C -0.875 175.245 176.117 0.005 0.000 1.048 6 I CA -0.586 60.798 61.300 0.140 0.000 1.062 6 I CB 2.207 40.353 38.000 0.243 0.000 1.238 6 I HN 0.509 nan 8.210 nan 0.000 0.426 7 E N 6.799 126.977 120.200 -0.036 0.000 2.187 7 E HA 0.632 4.983 4.350 0.001 0.000 0.268 7 E C -1.176 175.179 176.600 -0.408 0.000 0.896 7 E CA -0.638 55.577 56.400 -0.309 0.000 0.766 7 E CB 2.822 32.411 29.700 -0.186 0.000 1.142 7 E HN 0.396 nan 8.360 nan 0.000 0.408 8 I N 2.931 123.120 120.570 -0.635 0.000 2.406 8 I HA 0.323 4.493 4.170 0.001 0.000 0.290 8 I C -1.031 174.746 176.117 -0.567 0.000 0.999 8 I CA -0.687 60.351 61.300 -0.437 0.000 1.124 8 I CB 0.864 38.697 38.000 -0.278 0.000 1.289 8 I HN 0.402 nan 8.210 nan 0.000 0.441 9 F N 4.335 124.229 119.950 -0.092 0.000 2.325 9 F HA 0.294 4.822 4.527 0.001 0.000 0.369 9 F C 0.454 176.258 175.800 0.007 0.000 1.095 9 F CA -0.532 57.439 58.000 -0.047 0.000 1.082 9 F CB 0.501 39.441 39.000 -0.100 0.000 1.289 9 F HN 0.471 nan 8.300 nan 0.000 0.462 10 H N 3.774 122.860 119.070 0.026 0.000 2.872 10 H HA 0.402 4.958 4.556 0.001 0.000 0.273 10 H C -0.507 174.826 175.328 0.007 0.000 1.205 10 H CA -0.629 55.427 56.048 0.013 0.000 1.342 10 H CB 0.634 30.394 29.762 -0.003 0.000 1.469 10 H HN 0.380 nan 8.280 nan 0.000 0.487 11 V N 5.639 125.605 119.914 0.087 0.000 2.655 11 V HA -0.067 4.053 4.120 0.001 0.000 0.300 11 V C 0.619 176.651 176.094 -0.103 0.000 1.044 11 V CA 0.035 62.293 62.300 -0.071 0.000 1.095 11 V CB 0.242 32.031 31.823 -0.058 0.000 0.952 11 V HN 0.872 nan 8.190 nan 0.000 0.485 12 H N 1.953 120.955 119.070 -0.113 0.000 2.929 12 H HA 0.048 4.605 4.556 0.001 0.000 0.358 12 H C 0.770 176.020 175.328 -0.129 0.000 1.111 12 H CA -0.286 55.681 56.048 -0.135 0.000 1.409 12 H CB 0.332 30.040 29.762 -0.090 0.000 1.373 12 H HN 0.701 nan 8.280 nan 0.000 0.610 13 T N 4.419 118.980 114.554 0.011 0.000 2.819 13 T HA -0.088 4.263 4.350 0.001 0.000 0.282 13 T C 0.544 175.216 174.700 -0.046 0.000 1.013 13 T CA 0.040 62.121 62.100 -0.031 0.000 1.159 13 T CB -0.037 68.808 68.868 -0.039 0.000 1.007 13 T HN 0.313 nan 8.240 nan 0.000 0.514 14 R N 5.066 125.517 120.500 -0.081 0.000 2.267 14 R HA 0.156 4.496 4.340 0.001 0.000 0.319 14 R C -1.931 174.333 176.300 -0.060 0.000 1.067 14 R CA -2.306 53.725 56.100 -0.116 0.000 0.936 14 R CB 0.398 30.553 30.300 -0.241 0.000 1.006 14 R HN 0.413 nan 8.270 nan 0.000 0.452 15 P HA -0.181 nan 4.420 nan 0.000 0.214 15 P C 1.055 178.342 177.300 -0.022 0.000 1.163 15 P CA 1.397 64.479 63.100 -0.031 0.000 0.889 15 P CB 0.310 31.994 31.700 -0.028 0.000 0.790 16 Q N -0.744 119.046 119.800 -0.018 0.000 2.083 16 Q HA -0.077 4.264 4.340 0.001 0.000 0.198 16 Q C 2.246 178.233 176.000 -0.022 0.000 0.969 16 Q CA 1.954 57.748 55.803 -0.015 0.000 0.838 16 Q CB -0.414 28.319 28.738 -0.009 0.000 0.900 16 Q HN 0.337 nan 8.270 nan 0.000 0.436 17 S N -1.405 114.292 115.700 -0.005 0.000 2.478 17 S HA 0.133 4.603 4.470 0.001 0.000 0.222 17 S C 1.561 176.158 174.600 -0.004 0.000 1.008 17 S CA 0.549 58.743 58.200 -0.010 0.000 0.928 17 S CB 0.448 63.699 63.200 0.085 0.000 0.781 17 S HN 0.510 nan 8.310 nan 0.000 0.518 18 G N 0.900 109.701 108.800 0.001 0.000 2.168 18 G HA2 -0.281 3.679 3.960 0.001 0.000 0.263 18 G HA3 -0.281 3.679 3.960 0.001 0.000 0.263 18 G C -0.077 174.842 174.900 0.032 0.000 0.977 18 G CA 0.504 45.609 45.100 0.008 0.000 0.659 18 G HN 0.633 nan 8.290 nan 0.000 0.533 19 Q N -0.725 119.108 119.800 0.055 0.000 2.256 19 Q HA 0.699 5.039 4.340 0.001 0.000 0.232 19 Q C 0.449 176.480 176.000 0.052 0.000 0.965 19 Q CA -0.361 55.507 55.803 0.107 0.000 0.908 19 Q CB 0.814 29.689 28.738 0.228 0.000 1.209 19 Q HN 0.344 nan 8.270 nan 0.000 0.489 20 R N 1.487 122.048 120.500 0.102 0.000 2.680 20 R HA 0.324 4.664 4.340 0.001 0.000 0.278 20 R C -2.661 173.744 176.300 0.174 0.000 1.582 20 R CA -1.818 54.334 56.100 0.086 0.000 1.177 20 R CB 1.343 31.689 30.300 0.077 0.000 1.232 20 R HN 0.428 nan 8.270 nan 0.000 0.528 21 P HA 0.120 nan 4.420 nan 0.000 0.270 21 P C -0.554 176.841 177.300 0.157 0.000 1.223 21 P CA -0.133 63.056 63.100 0.149 0.000 0.785 21 P CB 0.671 32.446 31.700 0.126 0.000 0.923 22 I N 1.618 122.244 120.570 0.092 0.000 2.439 22 I HA 0.340 4.510 4.170 0.001 0.000 0.285 22 I C -0.371 175.758 176.117 0.019 0.000 1.021 22 I CA -0.054 61.270 61.300 0.040 0.000 1.091 22 I CB 1.038 38.983 38.000 -0.091 0.000 1.242 22 I HN 0.058 nan 8.210 nan 0.000 0.439 23 L N 6.076 127.339 121.223 0.067 0.000 2.342 23 L HA 0.794 5.134 4.340 0.001 0.000 0.271 23 L C -0.632 176.301 176.870 0.105 0.000 1.008 23 L CA -1.156 53.724 54.840 0.066 0.000 0.818 23 L CB 2.319 44.404 42.059 0.043 0.000 1.296 23 L HN 0.330 nan 8.230 nan 0.000 0.427 24 V N 2.494 122.418 119.914 0.017 0.000 2.656 24 V HA 0.479 4.599 4.120 0.001 0.000 0.307 24 V C -0.942 175.201 176.094 0.082 0.000 1.051 24 V CA -0.541 61.739 62.300 -0.033 0.000 0.893 24 V CB 2.119 33.719 31.823 -0.371 0.000 0.999 24 V HN 0.778 nan 8.190 nan 0.000 0.426 25 K N 5.274 125.781 120.400 0.178 0.000 2.358 25 K HA 0.718 5.038 4.320 0.001 0.000 0.260 25 K C -1.797 174.929 176.600 0.212 0.000 0.956 25 K CA -0.528 55.887 56.287 0.213 0.000 0.834 25 K CB 1.898 34.557 32.500 0.265 0.000 1.102 25 K HN 0.533 nan 8.250 nan 0.000 0.431 26 V N 3.303 123.376 119.914 0.264 0.000 2.384 26 V HA 0.326 4.447 4.120 0.001 0.000 0.287 26 V C -0.468 175.817 176.094 0.319 0.000 1.020 26 V CA -0.621 61.868 62.300 0.315 0.000 0.850 26 V CB 1.551 33.618 31.823 0.407 0.000 0.987 26 V HN 0.803 nan 8.190 nan 0.000 0.436 27 S N 2.956 118.817 115.700 0.268 0.000 2.578 27 S HA 0.794 5.265 4.470 0.001 0.000 0.301 27 S C 0.156 174.882 174.600 0.210 0.000 1.091 27 S CA -0.620 57.736 58.200 0.261 0.000 1.032 27 S CB 2.008 65.335 63.200 0.213 0.000 1.064 27 S HN 0.960 nan 8.310 nan 0.000 0.508 28 T N -1.698 112.972 114.554 0.193 0.000 2.926 28 T HA 0.400 4.751 4.350 0.001 0.000 0.289 28 T C 0.302 175.070 174.700 0.114 0.000 1.054 28 T CA -0.801 61.385 62.100 0.143 0.000 1.015 28 T CB 1.122 70.072 68.868 0.136 0.000 1.167 28 T HN 0.515 nan 8.240 nan 0.000 0.526 29 D N -0.541 119.910 120.400 0.084 0.000 2.392 29 D HA -0.061 4.580 4.640 0.001 0.000 0.228 29 D C 0.822 177.159 176.300 0.061 0.000 1.003 29 D CA 0.517 54.557 54.000 0.066 0.000 0.917 29 D CB -0.142 40.686 40.800 0.046 0.000 0.890 29 D HN 0.824 nan 8.370 nan 0.000 0.532 30 E N -0.835 119.407 120.200 0.071 0.000 2.538 30 E HA 0.301 4.651 4.350 0.001 0.000 0.207 30 E C 1.056 177.701 176.600 0.075 0.000 1.002 30 E CA 0.152 56.589 56.400 0.061 0.000 0.952 30 E CB 0.564 30.295 29.700 0.052 0.000 1.031 30 E HN 0.353 nan 8.360 nan 0.000 0.476 31 G N 1.802 110.663 108.800 0.102 0.000 2.179 31 G HA2 -0.297 3.663 3.960 0.001 0.000 0.260 31 G HA3 -0.297 3.663 3.960 0.001 0.000 0.260 31 G C 0.270 175.256 174.900 0.144 0.000 0.977 31 G CA 0.060 45.238 45.100 0.129 0.000 0.641 31 G HN 0.244 nan 8.290 nan 0.000 0.533 32 I N 1.126 121.764 120.570 0.112 0.000 2.395 32 I HA 0.542 4.712 4.170 0.001 0.000 0.289 32 I C 0.597 176.806 176.117 0.153 0.000 1.023 32 I CA -1.167 60.168 61.300 0.059 0.000 1.350 32 I CB 0.613 38.645 38.000 0.053 0.000 1.409 32 I HN 0.290 nan 8.210 nan 0.000 0.507 33 Y N 3.718 124.092 120.300 0.123 0.000 2.562 33 Y HA 0.932 5.482 4.550 0.001 0.000 0.343 33 Y C -0.102 175.884 175.900 0.144 0.000 1.025 33 Y CA -1.161 57.025 58.100 0.144 0.000 1.082 33 Y CB 1.505 40.056 38.460 0.151 0.000 1.264 33 Y HN 0.515 nan 8.280 nan 0.000 0.478 34 G N 2.459 111.495 108.800 0.394 0.000 2.519 34 G HA2 0.610 4.570 3.960 0.001 0.000 0.307 34 G HA3 0.610 4.570 3.960 0.001 0.000 0.307 34 G C -2.031 173.052 174.900 0.306 0.000 1.266 34 G CA -1.000 44.277 45.100 0.295 0.000 0.970 34 G HN 0.580 nan 8.290 nan 0.000 0.481 35 L N 0.866 122.233 121.223 0.240 0.000 2.329 35 L HA 0.798 5.138 4.340 0.001 0.000 0.279 35 L C 0.677 177.610 176.870 0.105 0.000 1.014 35 L CA -0.223 54.719 54.840 0.170 0.000 0.814 35 L CB 1.239 43.398 42.059 0.167 0.000 1.257 35 L HN 0.760 nan 8.230 nan 0.000 0.424 36 G N 1.808 110.626 108.800 0.031 0.000 2.733 36 G HA2 0.634 4.594 3.960 0.001 0.000 0.288 36 G HA3 0.634 4.594 3.960 0.001 0.000 0.288 36 G C -1.629 173.242 174.900 -0.049 0.000 1.373 36 G CA -0.289 44.795 45.100 -0.026 0.000 0.895 36 G HN 0.510 nan 8.290 nan 0.000 0.479 37 E N -0.849 119.314 120.200 -0.061 0.000 2.321 37 E HA 0.582 4.932 4.350 0.001 0.000 0.278 37 E C -0.669 175.901 176.600 -0.050 0.000 0.902 37 E CA -0.905 55.471 56.400 -0.039 0.000 0.758 37 E CB 2.046 31.750 29.700 0.006 0.000 1.213 37 E HN 0.758 nan 8.360 nan 0.000 0.426 38 A N 2.511 125.296 122.820 -0.058 0.000 2.301 38 A HA 0.566 4.886 4.320 0.001 0.000 0.298 38 A C 0.608 178.188 177.584 -0.007 0.000 1.185 38 A CA 0.035 52.041 52.037 -0.052 0.000 0.830 38 A CB 0.916 19.853 19.000 -0.106 0.000 1.112 38 A HN 0.658 nan 8.150 nan 0.000 0.508 39 G N 1.618 110.432 108.800 0.023 0.000 3.530 39 G HA2 0.422 4.382 3.960 0.001 0.000 0.269 39 G HA3 0.422 4.382 3.960 0.001 0.000 0.269 39 G C 0.090 174.997 174.900 0.013 0.000 1.314 39 G CA -0.007 45.143 45.100 0.082 0.000 1.441 39 G HN 0.542 nan 8.290 nan 0.000 0.595 40 I N 1.063 121.602 120.570 -0.052 0.000 3.283 40 I HA 0.222 4.393 4.170 0.001 0.000 0.342 40 I C 1.579 177.638 176.117 -0.095 0.000 1.510 40 I CA -0.831 60.375 61.300 -0.157 0.000 1.006 40 I CB 0.118 38.027 38.000 -0.151 0.000 1.596 40 I HN 0.203 nan 8.210 nan 0.000 0.509 41 A N 1.195 124.033 122.820 0.030 0.000 2.066 41 A HA -0.022 4.298 4.320 0.001 0.000 0.218 41 A C 0.861 178.581 177.584 0.226 0.000 1.157 41 A CA 1.030 53.171 52.037 0.175 0.000 0.670 41 A CB -0.266 18.908 19.000 0.289 0.000 0.804 41 A HN 0.519 nan 8.150 nan 0.000 0.453 42 Y N -4.335 116.021 120.300 0.092 0.000 2.659 42 Y HA 0.636 5.186 4.550 0.001 0.000 0.333 42 Y C 0.824 176.767 175.900 0.071 0.000 1.064 42 Y CA -1.308 56.838 58.100 0.077 0.000 1.141 42 Y CB 0.246 38.747 38.460 0.068 0.000 1.316 42 Y HN 0.735 nan 8.280 nan 0.000 0.509 43 G N 0.003 108.906 108.800 0.171 0.000 2.601 43 G HA2 -0.149 3.811 3.960 0.001 0.000 0.252 43 G HA3 -0.149 3.811 3.960 0.001 0.000 0.252 43 G C -1.494 173.420 174.900 0.023 0.000 1.294 43 G CA -0.301 44.839 45.100 0.068 0.000 0.912 43 G HN 1.130 nan 8.290 nan 0.000 0.574 44 V N 0.876 120.792 119.914 0.003 0.000 2.334 44 V HA 0.704 4.824 4.120 0.001 0.000 0.281 44 V C 1.090 177.170 176.094 -0.024 0.000 1.016 44 V CA 1.059 63.362 62.300 0.005 0.000 0.832 44 V CB 0.496 32.328 31.823 0.015 0.000 0.999 44 V HN 2.578 nan 8.190 nan 0.000 0.439 45 G N 3.352 112.137 108.800 -0.026 0.000 3.288 45 G HA2 -0.079 3.881 3.960 0.001 0.000 0.219 45 G HA3 -0.079 3.881 3.960 0.001 0.000 0.219 45 G C 0.930 175.777 174.900 -0.088 0.000 0.944 45 G CA 0.231 45.296 45.100 -0.058 0.000 0.854 45 G HN 1.009 nan 8.290 nan 0.000 0.632 46 G N 1.431 110.199 108.800 -0.054 0.000 2.503 46 G HA2 -0.146 3.814 3.960 0.001 0.000 0.221 46 G HA3 -0.146 3.814 3.960 0.001 0.000 0.221 46 G C 1.881 176.553 174.900 -0.380 0.000 1.131 46 G CA 2.200 47.220 45.100 -0.134 0.000 0.756 46 G HN 0.726 nan 8.290 nan 0.000 0.572 47 S N 0.927 116.536 115.700 -0.151 0.000 2.423 47 S HA 0.069 4.540 4.470 0.001 0.000 0.231 47 S C 2.709 177.201 174.600 -0.180 0.000 1.014 47 S CA 1.024 59.137 58.200 -0.145 0.000 0.965 47 S CB -0.237 62.991 63.200 0.046 0.000 0.785 47 S HN 0.621 nan 8.310 nan 0.000 0.495 48 A N 1.653 124.378 122.820 -0.159 0.000 1.930 48 A HA 0.195 4.516 4.320 0.001 0.000 0.217 48 A C 2.355 179.813 177.584 -0.209 0.000 1.175 48 A CA 1.490 53.428 52.037 -0.165 0.000 0.627 48 A CB -0.999 17.914 19.000 -0.144 0.000 0.815 48 A HN 0.501 nan 8.150 nan 0.000 0.443 49 A N 0.050 122.729 122.820 -0.234 0.000 1.877 49 A HA 0.149 4.470 4.320 0.001 0.000 0.216 49 A C 2.518 179.942 177.584 -0.267 0.000 1.186 49 A CA 2.101 53.991 52.037 -0.245 0.000 0.620 49 A CB -1.083 17.779 19.000 -0.230 0.000 0.822 49 A HN 1.063 nan 8.150 nan 0.000 0.443 50 A N -0.477 122.147 122.820 -0.327 0.000 1.908 50 A HA 0.055 4.376 4.320 0.001 0.000 0.218 50 A C 2.416 179.883 177.584 -0.194 0.000 1.181 50 A CA 2.111 53.985 52.037 -0.271 0.000 0.627 50 A CB -1.413 17.406 19.000 -0.303 0.000 0.818 50 A HN 0.754 nan 8.150 nan 0.000 0.445 51 G N -0.441 108.248 108.800 -0.185 0.000 2.402 51 G HA2 -0.135 3.825 3.960 0.001 0.000 0.216 51 G HA3 -0.135 3.825 3.960 0.001 0.000 0.216 51 G C 1.464 176.250 174.900 -0.189 0.000 1.162 51 G CA 1.125 46.133 45.100 -0.155 0.000 0.777 51 G HN 0.431 nan 8.290 nan 0.000 0.539 52 I N 0.651 121.062 120.570 -0.264 0.000 2.315 52 I HA -0.009 4.161 4.170 0.001 0.000 0.248 52 I C 2.588 178.447 176.117 -0.431 0.000 1.117 52 I CA 0.757 61.793 61.300 -0.440 0.000 1.404 52 I CB -0.092 37.586 38.000 -0.536 0.000 1.071 52 I HN 0.117 nan 8.210 nan 0.000 0.419 53 L N 0.010 121.101 121.223 -0.220 0.000 2.056 53 L HA -0.232 4.109 4.340 0.001 0.000 0.207 53 L C 2.540 179.485 176.870 0.125 0.000 1.078 53 L CA 1.548 56.387 54.840 -0.002 0.000 0.749 53 L CB -0.770 41.188 42.059 -0.169 0.000 0.901 53 L HN 0.209 nan 8.230 nan 0.000 0.433 54 K N 0.195 120.587 120.400 -0.014 0.000 2.032 54 K HA -0.226 4.094 4.320 0.001 0.000 0.209 54 K C 1.671 178.292 176.600 0.035 0.000 1.048 54 K CA 1.999 58.286 56.287 -0.000 0.000 0.927 54 K CB -0.011 32.455 32.500 -0.057 0.000 0.712 54 K HN 0.228 nan 8.250 nan 0.000 0.441 55 D N -0.262 120.138 120.400 -0.001 0.000 2.117 55 D HA -0.145 4.496 4.640 0.001 0.000 0.198 55 D C 1.812 178.219 176.300 0.178 0.000 0.982 55 D CA 1.187 55.216 54.000 0.048 0.000 0.828 55 D CB -0.356 40.446 40.800 0.004 0.000 0.967 55 D HN 0.408 nan 8.370 nan 0.000 0.464 56 Y N 0.980 121.311 120.300 0.053 0.000 2.293 56 Y HA -0.138 4.413 4.550 0.001 0.000 0.291 56 Y C 2.523 178.341 175.900 -0.136 0.000 1.137 56 Y CA 0.246 58.337 58.100 -0.016 0.000 1.202 56 Y CB 0.013 38.502 38.460 0.049 0.000 0.990 56 Y HN -0.061 nan 8.280 nan 0.000 0.537 57 A N 0.645 123.539 122.820 0.124 0.000 1.940 57 A HA -0.241 4.080 4.320 0.001 0.000 0.219 57 A C 2.398 179.980 177.584 -0.003 0.000 1.176 57 A CA 1.665 53.720 52.037 0.030 0.000 0.631 57 A CB -0.945 18.153 19.000 0.164 0.000 0.814 57 A HN 0.443 nan 8.150 nan 0.000 0.446 58 A N -0.946 121.889 122.820 0.025 0.000 1.978 58 A HA 0.001 4.321 4.320 0.001 0.000 0.220 58 A C 1.833 179.411 177.584 -0.011 0.000 1.170 58 A CA 1.639 53.683 52.037 0.011 0.000 0.636 58 A CB -0.390 18.625 19.000 0.024 0.000 0.810 58 A HN 0.415 nan 8.150 nan 0.000 0.448 59 L N -1.034 120.172 121.223 -0.029 0.000 2.492 59 L HA 0.148 4.489 4.340 0.001 0.000 0.223 59 L C 1.865 178.685 176.870 -0.083 0.000 1.132 59 L CA 0.880 55.686 54.840 -0.056 0.000 0.850 59 L CB -0.119 41.894 42.059 -0.077 0.000 0.966 59 L HN 0.339 nan 8.230 nan 0.000 0.454 60 L N -1.584 119.578 121.223 -0.101 0.000 2.575 60 L HA 0.178 4.518 4.340 0.001 0.000 0.228 60 L C 0.496 177.336 176.870 -0.049 0.000 1.075 60 L CA -0.443 54.331 54.840 -0.111 0.000 0.867 60 L CB 0.246 42.179 42.059 -0.210 0.000 1.097 60 L HN -0.058 nan 8.230 nan 0.000 0.485 61 I N 1.807 122.364 120.570 -0.022 0.000 2.741 61 I HA -0.015 4.155 4.170 0.001 0.000 0.288 61 I C 1.514 177.627 176.117 -0.007 0.000 1.192 61 I CA 1.457 62.760 61.300 0.006 0.000 1.426 61 I CB -0.329 37.679 38.000 0.014 0.000 1.367 61 I HN 0.461 nan 8.210 nan 0.000 0.563 62 G N 5.107 113.907 108.800 0.000 0.000 2.217 62 G HA2 -0.193 3.767 3.960 0.001 0.000 0.246 62 G HA3 -0.193 3.767 3.960 0.001 0.000 0.246 62 G C 0.349 175.232 174.900 -0.029 0.000 0.990 62 G CA -0.319 44.775 45.100 -0.009 0.000 0.627 62 G HN 0.575 nan 8.290 nan 0.000 0.522 63 E N 1.013 121.181 120.200 -0.052 0.000 2.374 63 E HA 0.347 4.698 4.350 0.001 0.000 0.260 63 E C -0.558 175.978 176.600 -0.106 0.000 1.101 63 E CA -0.388 55.956 56.400 -0.094 0.000 0.907 63 E CB 0.943 30.553 29.700 -0.150 0.000 1.014 63 E HN 0.273 nan 8.360 nan 0.000 0.427 64 D N 1.939 122.270 120.400 -0.115 0.000 2.313 64 D HA 0.140 4.780 4.640 0.001 0.000 0.239 64 D C -1.880 174.310 176.300 -0.183 0.000 1.142 64 D CA -2.301 51.649 54.000 -0.085 0.000 0.847 64 D CB 1.254 42.030 40.800 -0.040 0.000 1.082 64 D HN -0.051 nan 8.370 nan 0.000 0.480 65 P HA -0.045 nan 4.420 nan 0.000 0.225 65 P C 1.057 178.162 177.300 -0.324 0.000 1.148 65 P CA 0.588 63.449 63.100 -0.399 0.000 0.779 65 P CB 0.002 31.639 31.700 -0.105 0.000 0.780 66 F N -0.417 119.383 119.950 -0.250 0.000 2.407 66 F HA -0.011 4.517 4.527 0.001 0.000 0.299 66 F C 1.221 176.880 175.800 -0.235 0.000 1.097 66 F CA 0.782 58.636 58.000 -0.243 0.000 1.422 66 F CB -0.769 38.130 39.000 -0.169 0.000 1.067 66 F HN -0.125 nan 8.300 nan 0.000 0.539 67 N N 0.401 119.059 118.700 -0.070 0.000 3.111 67 N HA -0.008 4.732 4.740 0.001 0.000 0.302 67 N C 1.436 176.896 175.510 -0.084 0.000 1.317 67 N CA 0.502 53.512 53.050 -0.067 0.000 1.151 67 N CB -0.410 38.043 38.487 -0.055 0.000 1.456 67 N HN 0.277 nan 8.380 nan 0.000 0.547 68 T N -2.272 112.222 114.554 -0.101 0.000 2.821 68 T HA -0.075 4.275 4.350 0.001 0.000 0.267 68 T C 1.475 176.305 174.700 0.216 0.000 1.046 68 T CA 0.810 62.940 62.100 0.050 0.000 1.139 68 T CB 0.186 69.037 68.868 -0.030 0.000 0.871 68 T HN 0.121 nan 8.240 nan 0.000 0.454 69 E N 1.937 122.228 120.200 0.152 0.000 2.051 69 E HA -0.041 4.309 4.350 0.001 0.000 0.192 69 E C 2.674 179.408 176.600 0.224 0.000 0.991 69 E CA 1.470 57.984 56.400 0.190 0.000 0.799 69 E CB -0.712 29.062 29.700 0.123 0.000 0.748 69 E HN 0.674 nan 8.360 nan 0.000 0.449 70 A N 0.989 123.896 122.820 0.145 0.000 1.930 70 A HA -0.101 4.219 4.320 0.001 0.000 0.217 70 A C 2.320 179.989 177.584 0.142 0.000 1.175 70 A CA 0.896 53.010 52.037 0.128 0.000 0.627 70 A CB -0.553 18.485 19.000 0.063 0.000 0.815 70 A HN 0.150 nan 8.150 nan 0.000 0.443 71 I N -2.796 117.850 120.570 0.127 0.000 2.252 71 I HA -0.252 3.919 4.170 0.001 0.000 0.245 71 I C 2.393 178.642 176.117 0.221 0.000 1.102 71 I CA 1.284 62.650 61.300 0.111 0.000 1.385 71 I CB -0.294 37.730 38.000 0.040 0.000 1.064 71 I HN 0.648 nan 8.210 nan 0.000 0.414 72 W N 1.966 123.371 121.300 0.174 0.000 2.333 72 W HA -0.308 4.352 4.660 0.000 0.000 0.316 72 W C 2.654 179.297 176.519 0.207 0.000 1.215 72 W CA 2.104 59.578 57.345 0.214 0.000 1.278 72 W CB 0.002 29.609 29.460 0.246 0.000 1.154 72 W HN 0.067 nan 8.180 nan 0.000 0.486 73 E N 0.625 121.189 120.200 0.605 0.000 2.110 73 E HA -0.256 4.095 4.350 0.001 0.000 0.193 73 E C 2.082 178.851 176.600 0.281 0.000 0.988 73 E CA 1.838 58.550 56.400 0.521 0.000 0.804 73 E CB -0.378 29.557 29.700 0.392 0.000 0.745 73 E HN 0.192 nan 8.360 nan 0.000 0.458 74 K N 0.036 120.528 120.400 0.153 0.000 2.026 74 K HA -0.131 4.189 4.320 0.001 0.000 0.208 74 K C 2.087 178.649 176.600 -0.064 0.000 1.048 74 K CA 1.474 57.779 56.287 0.029 0.000 0.929 74 K CB -0.213 32.285 32.500 -0.003 0.000 0.713 74 K HN 0.222 nan 8.250 nan 0.000 0.439 75 L N 0.249 121.392 121.223 -0.134 0.000 2.141 75 L HA -0.146 4.194 4.340 0.001 0.000 0.209 75 L C 2.443 179.160 176.870 -0.255 0.000 1.094 75 L CA 0.681 55.305 54.840 -0.360 0.000 0.763 75 L CB -0.413 41.304 42.059 -0.570 0.000 0.908 75 L HN 0.202 nan 8.230 nan 0.000 0.437 76 F N 0.928 120.701 119.950 -0.295 0.000 2.128 76 F HA -0.128 4.400 4.527 0.001 0.000 0.295 76 F C 2.323 178.020 175.800 -0.171 0.000 1.100 76 F CA 1.518 59.379 58.000 -0.232 0.000 1.260 76 F CB -0.001 38.991 39.000 -0.013 0.000 1.009 76 F HN -0.152 nan 8.300 nan 0.000 0.476 77 K N -0.399 119.890 120.400 -0.184 0.000 2.354 77 K HA 0.125 4.445 4.320 0.001 0.000 0.194 77 K C 1.339 177.814 176.600 -0.208 0.000 1.045 77 K CA 0.352 56.465 56.287 -0.291 0.000 1.026 77 K CB 0.229 32.653 32.500 -0.126 0.000 0.866 77 K HN 0.180 nan 8.250 nan 0.000 0.530 78 K N 0.421 120.734 120.400 -0.145 0.000 2.374 78 K HA 0.097 4.417 4.320 0.001 0.000 0.202 78 K C 1.356 177.904 176.600 -0.087 0.000 1.040 78 K CA 0.467 56.694 56.287 -0.100 0.000 1.085 78 K CB 0.890 33.350 32.500 -0.067 0.000 0.873 78 K HN 0.153 nan 8.250 nan 0.000 0.539 79 T N -2.441 112.045 114.554 -0.114 0.000 3.081 79 T HA 0.086 4.436 4.350 0.001 0.000 0.250 79 T C 1.150 175.821 174.700 -0.050 0.000 1.100 79 T CA -0.074 62.004 62.100 -0.036 0.000 1.038 79 T CB -0.307 68.561 68.868 -0.001 0.000 0.962 79 T HN 0.139 nan 8.240 nan 0.000 0.516 80 F N 0.263 119.987 119.950 -0.377 0.000 2.555 80 F HA -0.362 4.165 4.527 0.000 0.000 0.693 80 F C 0.745 176.126 175.800 -0.698 0.000 0.487 80 F CA 1.794 59.405 58.000 -0.650 0.000 0.748 80 F CB -1.460 36.984 39.000 -0.928 0.000 1.624 80 F HN 0.310 nan 8.300 nan 0.000 0.266 81 W N 0.788 122.103 121.300 0.026 0.000 2.519 81 W HA 0.216 4.876 4.660 0.000 0.000 0.266 81 W C 2.381 178.783 176.519 -0.194 0.000 1.253 81 W CA 0.956 58.263 57.345 -0.064 0.000 1.274 81 W CB -1.188 28.282 29.460 0.018 0.000 1.114 81 W HN 0.400 nan 8.180 nan 0.000 0.596 82 G N 0.942 109.683 108.800 -0.098 0.000 2.505 82 G HA2 -0.335 3.625 3.960 0.001 0.000 0.220 82 G HA3 -0.335 3.625 3.960 0.001 0.000 0.220 82 G C 1.366 176.089 174.900 -0.295 0.000 1.145 82 G CA 1.161 46.134 45.100 -0.212 0.000 0.761 82 G HN 0.347 nan 8.290 nan 0.000 0.571 83 Q N -0.127 119.365 119.800 -0.515 0.000 2.436 83 Q HA 0.099 4.439 4.340 0.001 0.000 0.209 83 Q C 2.594 178.430 176.000 -0.273 0.000 0.965 83 Q CA 0.555 56.012 55.803 -0.577 0.000 0.910 83 Q CB 0.069 28.386 28.738 -0.701 0.000 0.980 83 Q HN 0.475 nan 8.270 nan 0.000 0.491 84 G N -0.064 108.640 108.800 -0.160 0.000 2.662 84 G HA2 0.332 4.292 3.960 0.001 0.000 0.212 84 G HA3 0.332 4.292 3.960 0.001 0.000 0.212 84 G C 0.619 175.546 174.900 0.045 0.000 1.141 84 G CA 0.280 45.376 45.100 -0.006 0.000 0.797 84 G HN 0.486 nan 8.290 nan 0.000 0.531 85 G N -1.462 107.321 108.800 -0.030 0.000 2.796 85 G HA2 0.471 4.431 3.960 0.001 0.000 0.571 85 G HA3 0.471 4.431 3.960 0.001 0.000 0.571 85 G C 0.214 175.095 174.900 -0.032 0.000 1.370 85 G CA -0.033 45.055 45.100 -0.020 0.000 0.856 85 G HN 2.108 nan 8.290 nan 0.000 0.538 86 G N -3.149 105.720 108.800 0.115 0.000 2.339 86 G HA2 0.503 4.463 3.960 0.001 0.000 0.381 86 G HA3 0.503 4.463 3.960 0.001 0.000 0.381 86 G C 0.624 175.453 174.900 -0.119 0.000 1.400 86 G CA 0.601 45.758 45.100 0.095 0.000 1.002 86 G HN 1.735 nan 8.290 nan 0.000 0.633 87 T N -0.051 114.323 114.554 -0.300 0.000 2.635 87 T HA -0.145 4.206 4.350 0.001 0.000 0.267 87 T C 2.544 177.007 174.700 -0.395 0.000 1.040 87 T CA 2.386 64.066 62.100 -0.701 0.000 1.156 87 T CB -0.283 68.418 68.868 -0.278 0.000 0.863 87 T HN 0.629 nan 8.240 nan 0.000 0.430 88 V N 1.393 121.165 119.914 -0.236 0.000 2.407 88 V HA -0.065 4.055 4.120 0.001 0.000 0.245 88 V C 2.506 178.490 176.094 -0.184 0.000 1.041 88 V CA 0.815 62.996 62.300 -0.199 0.000 1.040 88 V CB -0.550 31.163 31.823 -0.183 0.000 0.671 88 V HN 0.376 nan 8.190 nan 0.000 0.455 89 I N 0.068 120.525 120.570 -0.187 0.000 2.118 89 I HA -0.266 3.904 4.170 0.001 0.000 0.241 89 I C 2.382 178.406 176.117 -0.155 0.000 1.070 89 I CA 2.106 63.298 61.300 -0.180 0.000 1.327 89 I CB -1.300 36.527 38.000 -0.288 0.000 1.034 89 I HN 0.266 nan 8.210 nan 0.000 0.405 90 F N 1.131 121.058 119.950 -0.039 0.000 2.325 90 F HA -0.162 4.366 4.527 0.001 0.000 0.299 90 F C 2.858 178.652 175.800 -0.009 0.000 1.090 90 F CA 1.067 59.058 58.000 -0.015 0.000 1.392 90 F CB -0.369 38.648 39.000 0.027 0.000 1.053 90 F HN 0.139 nan 8.300 nan 0.000 0.521 91 S N 0.084 115.820 115.700 0.060 0.000 2.382 91 S HA -0.130 4.341 4.470 0.001 0.000 0.228 91 S C 2.287 176.907 174.600 0.033 0.000 1.027 91 S CA 1.290 59.500 58.200 0.017 0.000 0.991 91 S CB -1.196 61.956 63.200 -0.080 0.000 0.823 91 S HN 0.345 nan 8.310 nan 0.000 0.469 92 G N 1.881 110.711 108.800 0.050 0.000 2.404 92 G HA2 -0.001 3.959 3.960 0.001 0.000 0.215 92 G HA3 -0.001 3.959 3.960 0.001 0.000 0.215 92 G C 1.466 176.626 174.900 0.432 0.000 1.174 92 G CA 0.864 46.053 45.100 0.148 0.000 0.780 92 G HN 0.567 nan 8.290 nan 0.000 0.537 93 I N 1.127 121.927 120.570 0.383 0.000 2.208 93 I HA -0.195 3.975 4.170 0.001 0.000 0.245 93 I C 3.012 179.253 176.117 0.207 0.000 1.097 93 I CA 1.180 62.583 61.300 0.171 0.000 1.363 93 I CB -0.358 37.538 38.000 -0.173 0.000 1.051 93 I HN 0.109 nan 8.210 nan 0.000 0.413 94 S N 0.887 116.713 115.700 0.209 0.000 2.348 94 S HA -0.177 4.293 4.470 0.001 0.000 0.221 94 S C 2.288 176.932 174.600 0.074 0.000 1.033 94 S CA 1.487 59.800 58.200 0.189 0.000 1.010 94 S CB -0.404 62.891 63.200 0.158 0.000 0.891 94 S HN 0.558 nan 8.310 nan 0.000 0.442 95 A N 0.723 123.533 122.820 -0.017 0.000 1.902 95 A HA -0.017 4.304 4.320 0.001 0.000 0.217 95 A C 1.910 179.343 177.584 -0.252 0.000 1.181 95 A CA 1.297 53.236 52.037 -0.163 0.000 0.623 95 A CB -0.935 17.897 19.000 -0.280 0.000 0.818 95 A HN 0.486 nan 8.150 nan 0.000 0.443 96 F N -0.150 119.699 119.950 -0.169 0.000 2.134 96 F HA -0.170 4.357 4.527 0.001 0.000 0.299 96 F C 2.171 177.423 175.800 -0.914 0.000 1.097 96 F CA 1.621 59.301 58.000 -0.533 0.000 1.264 96 F CB -0.349 38.414 39.000 -0.396 0.000 1.001 96 F HN 0.341 nan 8.300 nan 0.000 0.479 97 D N 0.616 120.948 120.400 -0.114 0.000 2.104 97 D HA -0.206 4.434 4.640 0.001 0.000 0.194 97 D C 2.101 178.621 176.300 0.367 0.000 0.994 97 D CA 1.544 55.681 54.000 0.229 0.000 0.830 97 D CB -0.185 40.938 40.800 0.538 0.000 0.959 97 D HN 0.238 nan 8.370 nan 0.000 0.452 98 I N 0.523 121.211 120.570 0.197 0.000 2.163 98 I HA -0.295 3.876 4.170 0.001 0.000 0.243 98 I C 2.530 178.823 176.117 0.295 0.000 1.085 98 I CA 1.201 62.642 61.300 0.234 0.000 1.347 98 I CB -0.432 37.531 38.000 -0.062 0.000 1.044 98 I HN 0.079 nan 8.210 nan 0.000 0.408 99 A N 0.792 123.660 122.820 0.079 0.000 1.940 99 A HA -0.208 4.112 4.320 0.001 0.000 0.219 99 A C 2.228 179.950 177.584 0.230 0.000 1.176 99 A CA 1.562 53.664 52.037 0.109 0.000 0.631 99 A CB -1.144 17.870 19.000 0.023 0.000 0.814 99 A HN 0.420 nan 8.150 nan 0.000 0.446 100 F N -2.254 117.835 119.950 0.231 0.000 2.102 100 F HA -0.240 4.287 4.527 0.001 0.000 0.298 100 F C 2.289 178.047 175.800 -0.070 0.000 1.105 100 F CA 0.725 58.760 58.000 0.058 0.000 1.239 100 F CB -0.468 38.529 39.000 -0.005 0.000 0.991 100 F HN 0.321 nan 8.300 nan 0.000 0.474 101 W N 0.849 122.279 121.300 0.217 0.000 2.363 101 W HA -0.191 4.469 4.660 0.001 0.000 0.296 101 W C 2.167 178.638 176.519 -0.081 0.000 1.212 101 W CA 1.372 58.713 57.345 -0.006 0.000 1.260 101 W CB -0.664 28.759 29.460 -0.062 0.000 1.131 101 W HN -0.007 nan 8.180 nan 0.000 0.530 102 D N 0.396 120.942 120.400 0.243 0.000 2.104 102 D HA -0.198 4.442 4.640 0.001 0.000 0.194 102 D C 1.908 178.241 176.300 0.054 0.000 0.994 102 D CA 1.628 55.701 54.000 0.121 0.000 0.830 102 D CB -0.379 40.520 40.800 0.165 0.000 0.959 102 D HN 0.100 nan 8.370 nan 0.000 0.452 103 I N 0.255 120.873 120.570 0.080 0.000 2.163 103 I HA -0.273 3.897 4.170 0.001 0.000 0.243 103 I C 2.484 178.571 176.117 -0.050 0.000 1.085 103 I CA 1.163 62.491 61.300 0.046 0.000 1.347 103 I CB -0.175 37.894 38.000 0.116 0.000 1.044 103 I HN 0.010 nan 8.210 nan 0.000 0.408 104 K N 0.585 120.837 120.400 -0.247 0.000 2.032 104 K HA -0.163 4.158 4.320 0.001 0.000 0.209 104 K C 2.183 178.701 176.600 -0.137 0.000 1.048 104 K CA 1.643 57.632 56.287 -0.496 0.000 0.927 104 K CB -0.619 31.385 32.500 -0.826 0.000 0.712 104 K HN 0.480 nan 8.250 nan 0.000 0.441 105 G N 1.866 110.610 108.800 -0.094 0.000 2.421 105 G HA2 -0.263 3.698 3.960 0.001 0.000 0.216 105 G HA3 -0.263 3.698 3.960 0.001 0.000 0.216 105 G C 1.350 176.234 174.900 -0.026 0.000 1.171 105 G CA 0.786 45.849 45.100 -0.062 0.000 0.775 105 G HN 0.235 nan 8.290 nan 0.000 0.543 106 K N 0.594 120.982 120.400 -0.019 0.000 2.057 106 K HA 0.051 4.371 4.320 0.001 0.000 0.207 106 K C 2.927 179.540 176.600 0.022 0.000 1.049 106 K CA 0.955 57.235 56.287 -0.011 0.000 0.931 106 K CB -0.225 32.251 32.500 -0.039 0.000 0.714 106 K HN 0.267 nan 8.250 nan 0.000 0.440 107 A N 1.136 123.996 122.820 0.067 0.000 1.972 107 A HA -0.099 4.221 4.320 0.001 0.000 0.219 107 A C 1.880 179.528 177.584 0.105 0.000 1.169 107 A CA 1.262 53.372 52.037 0.122 0.000 0.635 107 A CB -0.353 18.810 19.000 0.272 0.000 0.810 107 A HN 0.189 nan 8.150 nan 0.000 0.446 108 L N -1.099 120.187 121.223 0.104 0.000 2.640 108 L HA 0.165 4.506 4.340 0.001 0.000 0.230 108 L C 0.721 177.607 176.870 0.026 0.000 1.123 108 L CA 0.094 54.978 54.840 0.074 0.000 0.900 108 L CB -0.349 41.769 42.059 0.098 0.000 1.146 108 L HN 0.608 nan 8.230 nan 0.000 0.484 109 N N 1.474 120.183 118.700 0.015 0.000 2.738 109 N HA -0.190 4.551 4.740 0.001 0.000 0.249 109 N C -0.880 174.619 175.510 -0.018 0.000 1.047 109 N CA 0.128 53.178 53.050 -0.000 0.000 0.707 109 N CB -0.518 37.972 38.487 0.004 0.000 0.937 109 N HN 0.278 nan 8.380 nan 0.000 0.545 110 L N 0.257 121.456 121.223 -0.039 0.000 2.434 110 L HA 0.607 4.947 4.340 0.001 0.000 0.260 110 L C -2.242 174.557 176.870 -0.118 0.000 0.983 110 L CA -1.707 53.081 54.840 -0.086 0.000 0.820 110 L CB 2.332 44.329 42.059 -0.103 0.000 1.361 110 L HN -0.054 nan 8.230 nan 0.000 0.410 111 P HA 0.051 nan 4.420 nan 0.000 0.271 111 P C 0.824 177.940 177.300 -0.306 0.000 1.218 111 P CA -0.239 62.779 63.100 -0.136 0.000 0.780 111 P CB 1.335 33.054 31.700 0.032 0.000 0.901 112 V N 2.445 122.100 119.914 -0.432 0.000 2.392 112 V HA -0.285 3.836 4.120 0.001 0.000 0.249 112 V C 2.352 178.254 176.094 -0.320 0.000 1.059 112 V CA 2.370 64.386 62.300 -0.474 0.000 1.051 112 V CB -1.829 29.509 31.823 -0.808 0.000 0.658 112 V HN 0.629 nan 8.190 nan 0.000 0.455 113 Y N 0.838 121.144 120.300 0.010 0.000 2.315 113 Y HA -0.162 4.388 4.550 0.001 0.000 0.288 113 Y C 2.172 178.039 175.900 -0.054 0.000 1.154 113 Y CA 1.346 59.433 58.100 -0.022 0.000 1.229 113 Y CB -0.779 37.697 38.460 0.027 0.000 0.980 113 Y HN 0.107 nan 8.280 nan 0.000 0.540 114 K N 0.647 120.624 120.400 -0.705 0.000 2.283 114 K HA 0.007 4.328 4.320 0.001 0.000 0.202 114 K C 1.600 178.106 176.600 -0.157 0.000 1.048 114 K CA 1.240 57.275 56.287 -0.420 0.000 0.948 114 K CB -0.134 32.075 32.500 -0.485 0.000 0.742 114 K HN 0.463 nan 8.250 nan 0.000 0.458 115 L N 0.344 121.494 121.223 -0.122 0.000 2.529 115 L HA 0.057 4.398 4.340 0.001 0.000 0.223 115 L C 1.496 178.397 176.870 0.052 0.000 1.113 115 L CA 0.209 55.075 54.840 0.043 0.000 0.861 115 L CB 0.093 42.257 42.059 0.174 0.000 1.012 115 L HN 0.083 nan 8.230 nan 0.000 0.461 116 L N -0.448 120.707 121.223 -0.114 0.000 2.640 116 L HA 0.323 4.663 4.340 0.001 0.000 0.230 116 L C 1.192 178.034 176.870 -0.048 0.000 1.123 116 L CA 0.485 55.219 54.840 -0.176 0.000 0.900 116 L CB 0.205 42.079 42.059 -0.308 0.000 1.146 116 L HN 0.388 nan 8.230 nan 0.000 0.484 117 G N -0.719 108.080 108.800 -0.002 0.000 2.175 117 G HA2 0.034 3.995 3.960 0.001 0.000 0.182 117 G HA3 0.034 3.995 3.960 0.001 0.000 0.182 117 G C 0.544 175.472 174.900 0.047 0.000 1.003 117 G CA -0.258 44.855 45.100 0.022 0.000 0.666 117 G HN 0.735 nan 8.290 nan 0.000 0.506 118 G N -0.614 108.242 108.800 0.092 0.000 2.660 118 G HA2 0.040 4.000 3.960 0.001 0.000 0.247 118 G HA3 0.040 4.000 3.960 0.001 0.000 0.247 118 G C -0.285 174.730 174.900 0.191 0.000 1.328 118 G CA 0.012 45.222 45.100 0.183 0.000 0.884 118 G HN 0.795 nan 8.290 nan 0.000 0.531 119 K N 0.434 120.913 120.400 0.132 0.000 2.174 119 K HA 0.334 4.654 4.320 0.001 0.000 0.275 119 K C 0.818 177.396 176.600 -0.037 0.000 1.015 119 K CA -0.522 55.736 56.287 -0.050 0.000 0.933 119 K CB 0.715 33.142 32.500 -0.121 0.000 1.025 119 K HN 0.493 nan 8.250 nan 0.000 0.463 120 N N 2.571 121.230 118.700 -0.069 0.000 2.205 120 N HA 0.015 4.755 4.740 0.001 0.000 0.201 120 N C -0.384 175.104 175.510 -0.038 0.000 1.128 120 N CA 0.209 53.237 53.050 -0.038 0.000 0.867 120 N CB 0.671 39.142 38.487 -0.026 0.000 0.996 120 N HN 0.563 nan 8.380 nan 0.000 0.503 121 R N -0.697 119.756 120.500 -0.078 0.000 2.690 121 R HA 0.296 4.637 4.340 0.001 0.000 0.269 121 R C -0.439 175.794 176.300 -0.111 0.000 1.037 121 R CA -0.626 55.435 56.100 -0.065 0.000 0.877 121 R CB 0.763 31.040 30.300 -0.039 0.000 1.255 121 R HN -0.311 nan 8.270 nan 0.000 0.467 122 E N 0.682 120.833 120.200 -0.083 0.000 2.299 122 E HA 0.004 4.355 4.350 0.001 0.000 0.193 122 E C -0.222 176.303 176.600 -0.126 0.000 0.998 122 E CA 1.369 57.709 56.400 -0.100 0.000 0.851 122 E CB 0.044 29.707 29.700 -0.061 0.000 0.795 122 E HN 0.674 nan 8.360 nan 0.000 0.492 123 D N -1.322 119.014 120.400 -0.108 0.000 2.692 123 D HA 0.268 4.909 4.640 0.001 0.000 0.303 123 D C -0.802 175.448 176.300 -0.085 0.000 1.278 123 D CA -0.693 53.242 54.000 -0.109 0.000 0.852 123 D CB 0.734 41.496 40.800 -0.065 0.000 1.375 123 D HN -0.145 nan 8.370 nan 0.000 0.453 124 L N 0.101 121.292 121.223 -0.053 0.000 2.356 124 L HA 0.519 4.859 4.340 0.001 0.000 0.277 124 L C 0.577 177.576 176.870 0.215 0.000 0.996 124 L CA -1.051 53.817 54.840 0.046 0.000 0.822 124 L CB 2.016 43.998 42.059 -0.128 0.000 1.256 124 L HN 0.345 nan 8.230 nan 0.000 0.413 125 R N 1.977 122.690 120.500 0.355 0.000 2.570 125 R HA 0.386 4.726 4.340 0.001 0.000 0.277 125 R C -1.141 175.374 176.300 0.359 0.000 1.039 125 R CA -0.088 56.178 56.100 0.277 0.000 1.065 125 R CB 0.687 31.129 30.300 0.236 0.000 0.964 125 R HN 0.450 nan 8.270 nan 0.000 0.428 126 V N 5.542 125.617 119.914 0.268 0.000 2.735 126 V HA 0.346 4.466 4.120 0.001 0.000 0.310 126 V C -0.987 175.329 176.094 0.370 0.000 1.061 126 V CA -0.884 61.622 62.300 0.344 0.000 0.913 126 V CB 1.492 33.479 31.823 0.273 0.000 1.005 126 V HN 0.773 nan 8.190 nan 0.000 0.428 127 Y N 1.705 122.147 120.300 0.236 0.000 2.457 127 Y HA 0.896 5.446 4.550 0.001 0.000 0.333 127 Y C 0.115 175.930 175.900 -0.141 0.000 1.119 127 Y CA -1.383 56.741 58.100 0.041 0.000 1.143 127 Y CB 1.396 39.811 38.460 -0.075 0.000 1.230 127 Y HN 0.716 nan 8.280 nan 0.000 0.469 128 A N 2.595 125.159 122.820 -0.427 0.000 2.347 128 A HA 0.470 4.790 4.320 0.001 0.000 0.287 128 A C -0.088 177.253 177.584 -0.405 0.000 1.199 128 A CA -0.314 51.084 52.037 -1.065 0.000 0.851 128 A CB -0.269 17.449 19.000 -2.137 0.000 1.118 128 A HN 0.740 nan 8.150 nan 0.000 0.525 129 S N 2.402 118.049 115.700 -0.088 0.000 2.451 129 S HA 0.488 4.959 4.470 0.001 0.000 0.301 129 S C -0.386 174.198 174.600 -0.028 0.000 1.116 129 S CA -0.298 57.937 58.200 0.058 0.000 1.093 129 S CB 0.256 63.456 63.200 0.001 0.000 1.017 129 S HN 0.774 nan 8.310 nan 0.000 0.482 130 Q N 2.852 122.640 119.800 -0.021 0.000 2.451 130 Q HA -0.122 4.218 4.340 0.001 0.000 0.292 130 Q C 0.402 176.424 176.000 0.036 0.000 1.390 130 Q CA 0.147 55.955 55.803 0.007 0.000 0.753 130 Q CB -2.289 26.476 28.738 0.044 0.000 1.128 130 Q HN 0.706 nan 8.270 nan 0.000 0.402 131 L N 1.280 122.495 121.223 -0.014 0.000 2.137 131 L HA -0.229 4.111 4.340 0.001 0.000 0.213 131 L C 2.816 179.587 176.870 -0.164 0.000 1.085 131 L CA 2.726 57.542 54.840 -0.040 0.000 0.760 131 L CB -0.555 41.451 42.059 -0.088 0.000 0.893 131 L HN 0.583 nan 8.230 nan 0.000 0.434 132 Q N -1.554 118.094 119.800 -0.255 0.000 2.439 132 Q HA -0.205 4.135 4.340 0.001 0.000 0.211 132 Q C 1.416 177.087 176.000 -0.548 0.000 0.978 132 Q CA 1.560 57.073 55.803 -0.483 0.000 0.897 132 Q CB -0.563 28.009 28.738 -0.276 0.000 0.956 132 Q HN 0.429 nan 8.270 nan 0.000 0.483 133 F N 0.811 120.718 119.950 -0.072 0.000 2.695 133 F HA 0.486 5.014 4.527 0.001 0.000 0.303 133 F C 1.064 176.829 175.800 -0.058 0.000 1.091 133 F CA 0.215 58.180 58.000 -0.059 0.000 1.300 133 F CB 0.455 39.467 39.000 0.020 0.000 1.071 133 F HN 0.194 nan 8.300 nan 0.000 0.578 134 G N 0.069 108.909 108.800 0.067 0.000 3.055 134 G HA2 -0.228 3.732 3.960 0.001 0.000 0.686 134 G HA3 -0.228 3.732 3.960 0.001 0.000 0.686 134 G C -0.936 174.052 174.900 0.148 0.000 1.087 134 G CA -1.105 44.032 45.100 0.061 0.000 0.779 134 G HN 0.272 nan 8.290 nan 0.000 0.599 135 W N 3.022 124.288 121.300 -0.058 0.000 2.316 135 W HA 0.548 5.209 4.660 0.001 0.000 0.339 135 W C 0.475 176.983 176.519 -0.019 0.000 1.002 135 W CA -0.251 57.064 57.345 -0.050 0.000 1.465 135 W CB 0.925 30.341 29.460 -0.073 0.000 1.300 135 W HN 1.499 nan 8.180 nan 0.000 0.378 136 G N 4.391 112.942 108.800 -0.415 0.000 4.377 136 G HA2 -0.041 3.920 3.960 0.001 0.000 0.251 136 G HA3 -0.041 3.920 3.960 0.001 0.000 0.251 136 G C 0.059 174.824 174.900 -0.226 0.000 2.912 136 G CA -0.551 44.414 45.100 -0.225 0.000 0.606 136 G HN 0.512 nan 8.290 nan 0.000 0.282 137 K N 0.182 120.485 120.400 -0.161 0.000 2.305 137 K HA 0.112 4.432 4.320 0.001 0.000 0.199 137 K C 0.747 177.312 176.600 -0.058 0.000 1.047 137 K CA 0.499 56.724 56.287 -0.104 0.000 0.976 137 K CB 0.345 32.798 32.500 -0.079 0.000 0.765 137 K HN 0.395 nan 8.250 nan 0.000 0.474 138 E N 1.166 121.337 120.200 -0.047 0.000 2.113 138 E HA 0.097 4.448 4.350 0.001 0.000 0.273 138 E C -1.213 175.378 176.600 -0.014 0.000 0.924 138 E CA -0.652 55.733 56.400 -0.025 0.000 0.764 138 E CB 1.067 30.758 29.700 -0.016 0.000 1.104 138 E HN 0.041 nan 8.360 nan 0.000 0.406 139 R N 4.119 124.614 120.500 -0.008 0.000 2.316 139 R HA 0.168 4.509 4.340 0.001 0.000 0.314 139 R C -0.758 175.560 176.300 0.031 0.000 1.069 139 R CA 0.150 56.257 56.100 0.012 0.000 0.959 139 R CB 0.443 30.725 30.300 -0.030 0.000 0.987 139 R HN 0.354 nan 8.270 nan 0.000 0.446 140 K N 2.597 123.041 120.400 0.074 0.000 2.587 140 K HA 0.117 4.437 4.320 0.001 0.000 0.256 140 K C -1.237 175.399 176.600 0.059 0.000 0.974 140 K CA -0.524 55.797 56.287 0.058 0.000 0.855 140 K CB 1.351 33.859 32.500 0.015 0.000 1.292 140 K HN 0.715 nan 8.250 nan 0.000 0.444 141 S N 3.496 119.232 115.700 0.059 0.000 2.549 141 S HA 0.319 4.789 4.470 0.001 0.000 0.279 141 S C -0.189 174.270 174.600 -0.235 0.000 1.321 141 S CA -0.529 57.584 58.200 -0.145 0.000 1.054 141 S CB 0.766 63.818 63.200 -0.247 0.000 0.899 141 S HN 0.406 nan 8.310 nan 0.000 0.497 142 K N 1.917 122.089 120.400 -0.379 0.000 2.123 142 K HA 0.527 4.847 4.320 0.001 0.000 0.259 142 K C 1.009 177.589 176.600 -0.033 0.000 0.960 142 K CA -0.430 55.680 56.287 -0.296 0.000 0.872 142 K CB 1.540 33.650 32.500 -0.650 0.000 1.079 142 K HN 0.829 nan 8.250 nan 0.000 0.440 143 G N 1.573 110.432 108.800 0.098 0.000 2.884 143 G HA2 0.043 4.003 3.960 0.001 0.000 0.198 143 G HA3 0.043 4.003 3.960 0.001 0.000 0.198 143 G C 0.194 175.226 174.900 0.221 0.000 1.083 143 G CA -0.095 45.116 45.100 0.185 0.000 0.740 143 G HN 0.346 nan 8.290 nan 0.000 0.690 144 R N 1.069 121.669 120.500 0.166 0.000 2.441 144 R HA 0.271 4.611 4.340 0.001 0.000 0.284 144 R C 1.580 178.003 176.300 0.205 0.000 1.070 144 R CA -0.098 56.080 56.100 0.129 0.000 1.047 144 R CB 1.284 31.628 30.300 0.074 0.000 1.016 144 R HN 0.363 nan 8.270 nan 0.000 0.477 145 K N 1.401 121.865 120.400 0.107 0.000 2.147 145 K HA -0.196 4.124 4.320 0.001 0.000 0.205 145 K C 0.750 177.422 176.600 0.120 0.000 1.049 145 K CA 1.599 57.935 56.287 0.081 0.000 0.936 145 K CB 0.067 32.553 32.500 -0.022 0.000 0.722 145 K HN 0.438 nan 8.250 nan 0.000 0.446 146 E N 1.514 121.761 120.200 0.079 0.000 2.153 146 E HA -0.148 4.202 4.350 0.001 0.000 0.194 146 E C 1.782 178.418 176.600 0.059 0.000 0.988 146 E CA 1.540 57.973 56.400 0.054 0.000 0.811 146 E CB -0.032 29.687 29.700 0.032 0.000 0.746 146 E HN 0.494 nan 8.360 nan 0.000 0.466 147 E N -0.558 119.686 120.200 0.073 0.000 2.110 147 E HA -0.178 4.172 4.350 0.001 0.000 0.193 147 E C 1.656 178.219 176.600 -0.061 0.000 0.988 147 E CA 0.875 57.272 56.400 -0.005 0.000 0.804 147 E CB -0.174 29.495 29.700 -0.053 0.000 0.745 147 E HN 0.404 nan 8.360 nan 0.000 0.458 148 Y N 0.719 120.995 120.300 -0.041 0.000 2.163 148 Y HA -0.209 4.341 4.550 0.001 0.000 0.288 148 Y C 2.512 178.377 175.900 -0.059 0.000 1.136 148 Y CA 0.993 59.061 58.100 -0.054 0.000 1.147 148 Y CB -0.328 38.094 38.460 -0.063 0.000 0.987 148 Y HN 0.053 nan 8.280 nan 0.000 0.509 149 A N 0.272 123.149 122.820 0.094 0.000 1.883 149 A HA -0.261 4.059 4.320 0.001 0.000 0.217 149 A C 2.008 179.591 177.584 -0.001 0.000 1.186 149 A CA 2.055 54.105 52.037 0.022 0.000 0.624 149 A CB -0.745 18.262 19.000 0.010 0.000 0.822 149 A HN 0.529 nan 8.150 nan 0.000 0.444 150 E N -0.516 119.684 120.200 0.001 0.000 2.058 150 E HA -0.209 4.141 4.350 0.001 0.000 0.194 150 E C 2.083 178.679 176.600 -0.005 0.000 0.997 150 E CA 1.375 57.773 56.400 -0.003 0.000 0.801 150 E CB -0.118 29.579 29.700 -0.004 0.000 0.746 150 E HN 0.526 nan 8.360 nan 0.000 0.450 151 E N 0.247 120.431 120.200 -0.027 0.000 2.106 151 E HA -0.151 4.199 4.350 0.001 0.000 0.192 151 E C 2.006 178.577 176.600 -0.049 0.000 0.984 151 E CA 1.008 57.401 56.400 -0.011 0.000 0.806 151 E CB -0.351 29.317 29.700 -0.053 0.000 0.750 151 E HN 0.269 nan 8.360 nan 0.000 0.458 152 A N 1.272 124.046 122.820 -0.078 0.000 1.902 152 A HA -0.142 4.178 4.320 0.001 0.000 0.217 152 A C 2.403 179.924 177.584 -0.105 0.000 1.181 152 A CA 1.164 53.126 52.037 -0.124 0.000 0.623 152 A CB -0.759 18.185 19.000 -0.093 0.000 0.818 152 A HN 0.197 nan 8.150 nan 0.000 0.443 153 L N -0.710 120.483 121.223 -0.050 0.000 2.083 153 L HA -0.215 4.126 4.340 0.001 0.000 0.209 153 L C 2.575 179.447 176.870 0.003 0.000 1.083 153 L CA 1.622 56.448 54.840 -0.023 0.000 0.752 153 L CB -0.434 41.621 42.059 -0.007 0.000 0.899 153 L HN 0.379 nan 8.230 nan 0.000 0.433 154 K N 0.033 120.451 120.400 0.030 0.000 2.063 154 K HA -0.193 4.127 4.320 0.001 0.000 0.208 154 K C 2.233 178.909 176.600 0.127 0.000 1.048 154 K CA 1.513 57.870 56.287 0.116 0.000 0.928 154 K CB -0.283 32.339 32.500 0.204 0.000 0.713 154 K HN 0.310 nan 8.250 nan 0.000 0.442 155 A N 1.004 123.759 122.820 -0.109 0.000 1.873 155 A HA -0.110 4.210 4.320 0.001 0.000 0.215 155 A C 2.373 179.970 177.584 0.021 0.000 1.186 155 A CA 1.336 53.172 52.037 -0.335 0.000 0.616 155 A CB -0.636 17.817 19.000 -0.912 0.000 0.823 155 A HN 0.076 nan 8.150 nan 0.000 0.442 156 V N -0.050 119.847 119.914 -0.029 0.000 2.490 156 V HA -0.236 3.884 4.120 0.001 0.000 0.250 156 V C 2.980 179.096 176.094 0.037 0.000 1.061 156 V CA 1.772 64.077 62.300 0.009 0.000 1.064 156 V CB -1.085 30.721 31.823 -0.027 0.000 0.670 156 V HN 0.612 nan 8.190 nan 0.000 0.461 157 A N -0.489 122.362 122.820 0.052 0.000 2.015 157 A HA -0.199 4.122 4.320 0.001 0.000 0.219 157 A C 2.061 179.689 177.584 0.074 0.000 1.163 157 A CA 1.539 53.610 52.037 0.057 0.000 0.646 157 A CB -0.355 18.685 19.000 0.067 0.000 0.806 157 A HN 0.630 nan 8.150 nan 0.000 0.448 158 E N -1.704 118.578 120.200 0.138 0.000 2.489 158 E HA 0.259 4.609 4.350 0.001 0.000 0.193 158 E C 1.052 177.625 176.600 -0.046 0.000 1.057 158 E CA 0.289 56.766 56.400 0.129 0.000 0.866 158 E CB -0.009 29.903 29.700 0.354 0.000 0.916 158 E HN 0.729 nan 8.360 nan 0.000 0.500 159 G N 0.651 109.425 108.800 -0.043 0.000 2.163 159 G HA2 -0.258 3.702 3.960 0.001 0.000 0.213 159 G HA3 -0.258 3.702 3.960 0.001 0.000 0.213 159 G C -0.247 174.543 174.900 -0.182 0.000 0.991 159 G CA -0.486 44.537 45.100 -0.128 0.000 0.653 159 G HN 0.204 nan 8.290 nan 0.000 0.518 160 Y N 1.698 121.955 120.300 -0.071 0.000 2.425 160 Y HA 0.381 4.931 4.550 0.001 0.000 0.331 160 Y C 1.326 177.160 175.900 -0.110 0.000 1.157 160 Y CA 0.399 58.439 58.100 -0.100 0.000 1.372 160 Y CB 0.831 39.191 38.460 -0.168 0.000 1.253 160 Y HN 0.255 nan 8.280 nan 0.000 0.536 161 D N 0.343 120.767 120.400 0.040 0.000 2.501 161 D HA 0.446 5.087 4.640 0.001 0.000 0.226 161 D C -0.475 175.762 176.300 -0.104 0.000 1.198 161 D CA -0.163 53.813 54.000 -0.040 0.000 0.830 161 D CB 0.044 40.811 40.800 -0.056 0.000 1.014 161 D HN 0.455 nan 8.370 nan 0.000 0.496 162 A N -0.175 122.598 122.820 -0.079 0.000 2.594 162 A HA 0.656 4.976 4.320 0.001 0.000 0.296 162 A C -1.081 176.405 177.584 -0.164 0.000 1.061 162 A CA -0.454 51.470 52.037 -0.189 0.000 0.689 162 A CB 1.623 20.474 19.000 -0.249 0.000 1.280 162 A HN 0.517 nan 8.150 nan 0.000 0.406 163 V N -1.234 118.525 119.914 -0.258 0.000 3.078 163 V HA 0.909 5.029 4.120 0.001 0.000 0.311 163 V C -0.738 175.171 176.094 -0.309 0.000 1.138 163 V CA -0.891 61.249 62.300 -0.267 0.000 1.007 163 V CB 1.877 33.534 31.823 -0.277 0.000 1.045 163 V HN 1.128 nan 8.190 nan 0.000 0.432 164 K N 1.398 121.667 120.400 -0.217 0.000 2.378 164 K HA 0.850 5.170 4.320 0.001 0.000 0.252 164 K C -2.078 174.462 176.600 -0.100 0.000 0.931 164 K CA -0.704 55.450 56.287 -0.222 0.000 0.794 164 K CB 2.419 34.788 32.500 -0.218 0.000 1.181 164 K HN 0.949 nan 8.250 nan 0.000 0.425 165 V N 2.783 122.656 119.914 -0.068 0.000 2.888 165 V HA 0.326 4.447 4.120 0.001 0.000 0.309 165 V C -1.806 174.313 176.094 0.041 0.000 1.114 165 V CA -0.720 61.584 62.300 0.007 0.000 0.940 165 V CB 2.002 33.860 31.823 0.057 0.000 1.021 165 V HN 0.930 nan 8.190 nan 0.000 0.426 166 D N 4.139 124.584 120.400 0.074 0.000 2.347 166 D HA 0.282 4.922 4.640 0.001 0.000 0.235 166 D C 0.721 177.109 176.300 0.147 0.000 1.149 166 D CA 0.234 54.303 54.000 0.115 0.000 0.850 166 D CB 1.794 42.714 40.800 0.199 0.000 1.061 166 D HN 0.545 nan 8.370 nan 0.000 0.487 167 V N 2.131 122.091 119.914 0.077 0.000 3.650 167 V HA 0.169 4.290 4.120 0.001 0.000 0.271 167 V C 1.591 177.620 176.094 -0.109 0.000 1.281 167 V CA 0.248 62.521 62.300 -0.046 0.000 1.120 167 V CB -0.378 31.408 31.823 -0.061 0.000 0.856 167 V HN 0.478 nan 8.190 nan 0.000 0.443 168 L N 0.373 121.536 121.223 -0.099 0.000 2.463 168 L HA 0.422 4.762 4.340 0.001 0.000 0.219 168 L C 2.769 179.590 176.870 -0.083 0.000 1.088 168 L CA 0.883 55.617 54.840 -0.175 0.000 0.849 168 L CB -0.391 41.492 42.059 -0.293 0.000 1.012 168 L HN 0.319 nan 8.230 nan 0.000 0.468 169 A N -0.530 122.280 122.820 -0.017 0.000 1.969 169 A HA -0.100 4.220 4.320 0.001 0.000 0.218 169 A C 0.419 177.803 177.584 -0.334 0.000 1.169 169 A CA 1.056 52.998 52.037 -0.157 0.000 0.635 169 A CB -0.548 18.368 19.000 -0.139 0.000 0.810 169 A HN 0.388 nan 8.150 nan 0.000 0.445 170 H N -0.302 118.784 119.070 0.026 0.000 2.492 170 H HA 0.432 4.989 4.556 0.001 0.000 0.345 170 H C -0.279 175.062 175.328 0.021 0.000 1.136 170 H CA -0.609 55.464 56.048 0.041 0.000 1.202 170 H CB 1.018 30.832 29.762 0.086 0.000 1.524 170 H HN 0.456 nan 8.280 nan 0.000 0.506 171 D N 0.672 121.151 120.400 0.131 0.000 2.380 171 D HA 0.001 4.641 4.640 0.001 0.000 0.254 171 D C 0.878 177.237 176.300 0.097 0.000 1.288 171 D CA -0.520 53.528 54.000 0.080 0.000 1.008 171 D CB 0.749 41.582 40.800 0.055 0.000 1.099 171 D HN 0.469 nan 8.370 nan 0.000 0.537 172 R N -0.992 119.545 120.500 0.062 0.000 2.285 172 R HA -0.014 4.326 4.340 0.001 0.000 0.213 172 R C 0.799 177.141 176.300 0.070 0.000 1.068 172 R CA 0.724 56.860 56.100 0.061 0.000 1.004 172 R CB -0.522 29.800 30.300 0.037 0.000 0.873 172 R HN 0.531 nan 8.270 nan 0.000 0.467 173 N N -0.581 118.161 118.700 0.071 0.000 2.336 173 N HA 0.054 4.794 4.740 0.001 0.000 0.189 173 N C 0.558 176.113 175.510 0.074 0.000 1.113 173 N CA 0.331 53.419 53.050 0.064 0.000 0.858 173 N CB 1.100 39.620 38.487 0.054 0.000 0.970 173 N HN 0.214 nan 8.380 nan 0.000 0.471 174 G N 0.771 109.632 108.800 0.103 0.000 2.143 174 G HA2 -0.282 3.679 3.960 0.001 0.000 0.248 174 G HA3 -0.282 3.679 3.960 0.001 0.000 0.248 174 G C -0.049 174.965 174.900 0.190 0.000 0.991 174 G CA 0.421 45.570 45.100 0.082 0.000 0.689 174 G HN 0.370 nan 8.290 nan 0.000 0.522 175 S N -1.262 114.564 115.700 0.210 0.000 2.509 175 S HA 0.661 5.132 4.470 0.001 0.000 0.297 175 S C 1.403 176.106 174.600 0.171 0.000 1.118 175 S CA -0.514 57.804 58.200 0.196 0.000 1.074 175 S CB 1.125 64.389 63.200 0.107 0.000 1.038 175 S HN 0.337 nan 8.310 nan 0.000 0.498 176 R N 1.300 121.870 120.500 0.118 0.000 2.275 176 R HA 0.139 4.479 4.340 0.001 0.000 0.199 176 R C -0.184 176.109 176.300 -0.011 0.000 0.989 176 R CA 0.078 56.160 56.100 -0.030 0.000 1.016 176 R CB 0.015 30.267 30.300 -0.080 0.000 0.918 176 R HN 0.539 nan 8.270 nan 0.000 0.473 177 E N 0.407 120.624 120.200 0.027 0.000 2.415 177 E HA 0.036 4.386 4.350 0.001 0.000 0.260 177 E C 0.862 177.473 176.600 0.019 0.000 1.016 177 E CA 1.069 57.482 56.400 0.022 0.000 0.924 177 E CB 0.468 30.186 29.700 0.031 0.000 0.961 177 E HN 0.383 nan 8.360 nan 0.000 0.459 178 G N 2.570 111.381 108.800 0.018 0.000 2.184 178 G HA2 -0.266 3.694 3.960 0.001 0.000 0.264 178 G HA3 -0.266 3.694 3.960 0.001 0.000 0.264 178 G C 0.126 175.052 174.900 0.044 0.000 0.975 178 G CA 0.219 45.333 45.100 0.024 0.000 0.642 178 G HN 0.481 nan 8.290 nan 0.000 0.536 179 V N 0.826 120.756 119.914 0.027 0.000 2.432 179 V HA 0.655 4.775 4.120 0.001 0.000 0.271 179 V C -0.109 176.031 176.094 0.077 0.000 1.046 179 V CA -0.137 62.172 62.300 0.016 0.000 0.945 179 V CB 1.145 32.929 31.823 -0.065 0.000 0.992 179 V HN 0.380 nan 8.190 nan 0.000 0.471 180 F N 5.601 125.510 119.950 -0.069 0.000 2.561 180 F HA 0.612 5.139 4.527 0.001 0.000 0.313 180 F C -0.100 175.676 175.800 -0.040 0.000 1.126 180 F CA -0.689 57.278 58.000 -0.055 0.000 0.918 180 F CB 1.775 40.755 39.000 -0.034 0.000 1.199 180 F HN 0.297 nan 8.300 nan 0.000 0.444 181 L N 4.563 125.384 121.223 -0.669 0.000 3.333 181 L HA 0.328 4.669 4.340 0.001 0.000 0.299 181 L C -0.460 176.167 176.870 -0.405 0.000 1.256 181 L CA -0.026 54.592 54.840 -0.370 0.000 1.037 181 L CB 0.620 42.548 42.059 -0.218 0.000 1.423 181 L HN 0.520 nan 8.230 nan 0.000 0.605 182 E N 0.553 120.315 120.200 -0.729 0.000 2.231 182 E HA 0.593 4.943 4.350 0.001 0.000 0.277 182 E C 0.501 177.053 176.600 -0.079 0.000 0.999 182 E CA 0.097 56.276 56.400 -0.367 0.000 0.827 182 E CB 1.552 31.019 29.700 -0.389 0.000 1.101 182 E HN 0.157 nan 8.360 nan 0.000 0.393 183 G N 2.874 111.671 108.800 -0.004 0.000 2.828 183 G HA2 -0.193 3.768 3.960 0.001 0.000 0.463 183 G HA3 -0.193 3.768 3.960 0.001 0.000 0.463 183 G C -2.647 172.282 174.900 0.047 0.000 1.394 183 G CA -1.297 43.834 45.100 0.052 0.000 0.862 183 G HN 0.416 nan 8.290 nan 0.000 0.540 184 P HA 0.361 nan 4.420 nan 0.000 0.265 184 P C 0.255 177.589 177.300 0.056 0.000 1.193 184 P CA 0.010 63.142 63.100 0.054 0.000 0.765 184 P CB 0.381 32.111 31.700 0.051 0.000 0.823 185 L N 5.557 126.811 121.223 0.051 0.000 2.343 185 L HA 0.449 4.789 4.340 0.001 0.000 0.275 185 L C -1.876 175.022 176.870 0.046 0.000 1.056 185 L CA -2.314 52.551 54.840 0.043 0.000 0.804 185 L CB 0.691 42.766 42.059 0.028 0.000 1.203 185 L HN 0.216 nan 8.230 nan 0.000 0.440 186 P HA 0.007 nan 4.420 nan 0.000 0.269 186 P C 0.530 177.853 177.300 0.038 0.000 1.215 186 P CA -0.154 62.969 63.100 0.038 0.000 0.780 186 P CB 0.847 32.568 31.700 0.034 0.000 0.898 187 S N 1.214 116.937 115.700 0.038 0.000 2.383 187 S HA -0.239 4.232 4.470 0.001 0.000 0.229 187 S C 1.749 176.373 174.600 0.039 0.000 1.030 187 S CA 1.800 60.026 58.200 0.042 0.000 1.002 187 S CB -0.512 62.709 63.200 0.035 0.000 0.829 187 S HN 0.512 nan 8.310 nan 0.000 0.467 188 E N 0.453 120.671 120.200 0.029 0.000 2.150 188 E HA -0.033 4.317 4.350 0.001 0.000 0.193 188 E C 2.033 178.641 176.600 0.013 0.000 0.985 188 E CA 1.657 58.070 56.400 0.021 0.000 0.814 188 E CB -0.700 29.011 29.700 0.017 0.000 0.752 188 E HN 0.575 nan 8.360 nan 0.000 0.466 189 T N 1.169 115.727 114.554 0.007 0.000 2.737 189 T HA -0.081 4.269 4.350 0.001 0.000 0.265 189 T C 1.699 176.382 174.700 -0.028 0.000 1.038 189 T CA 1.130 63.215 62.100 -0.025 0.000 1.144 189 T CB -0.121 68.726 68.868 -0.035 0.000 0.866 189 T HN 0.119 nan 8.240 nan 0.000 0.434 190 I N 1.345 121.936 120.570 0.036 0.000 2.151 190 I HA -0.151 4.020 4.170 0.001 0.000 0.243 190 I C 2.537 178.751 176.117 0.162 0.000 1.080 190 I CA 1.423 62.811 61.300 0.148 0.000 1.339 190 I CB -0.982 37.120 38.000 0.171 0.000 1.039 190 I HN 0.173 nan 8.210 nan 0.000 0.409 191 K N 1.093 121.544 120.400 0.086 0.000 2.032 191 K HA -0.131 4.190 4.320 0.001 0.000 0.209 191 K C 2.161 178.781 176.600 0.034 0.000 1.048 191 K CA 1.325 57.649 56.287 0.063 0.000 0.927 191 K CB -0.429 32.093 32.500 0.037 0.000 0.712 191 K HN 0.297 nan 8.250 nan 0.000 0.441 192 I N 0.155 120.726 120.570 0.002 0.000 2.118 192 I HA -0.274 3.897 4.170 0.001 0.000 0.241 192 I C 2.441 178.516 176.117 -0.069 0.000 1.070 192 I CA 1.656 62.928 61.300 -0.047 0.000 1.327 192 I CB -0.684 37.281 38.000 -0.059 0.000 1.034 192 I HN 0.274 nan 8.210 nan 0.000 0.405 193 G N 0.222 109.007 108.800 -0.026 0.000 2.421 193 G HA2 -0.195 3.765 3.960 0.001 0.000 0.216 193 G HA3 -0.195 3.765 3.960 0.001 0.000 0.216 193 G C 1.716 176.755 174.900 0.232 0.000 1.171 193 G CA 0.959 46.108 45.100 0.082 0.000 0.775 193 G HN 0.248 nan 8.290 nan 0.000 0.543 194 V N 2.059 122.122 119.914 0.248 0.000 2.295 194 V HA -0.215 3.906 4.120 0.001 0.000 0.246 194 V C 2.846 178.878 176.094 -0.102 0.000 1.049 194 V CA 2.461 64.808 62.300 0.078 0.000 1.024 194 V CB -0.572 31.329 31.823 0.130 0.000 0.648 194 V HN 0.819 nan 8.190 nan 0.000 0.447 195 E N 0.433 120.590 120.200 -0.072 0.000 2.153 195 E HA -0.265 4.085 4.350 0.001 0.000 0.194 195 E C 2.231 178.720 176.600 -0.184 0.000 0.988 195 E CA 1.394 57.725 56.400 -0.115 0.000 0.811 195 E CB -0.297 29.362 29.700 -0.068 0.000 0.746 195 E HN 0.549 nan 8.360 nan 0.000 0.466 196 R N 0.671 121.035 120.500 -0.227 0.000 2.062 196 R HA -0.015 4.325 4.340 0.001 0.000 0.229 196 R C 2.567 178.716 176.300 -0.252 0.000 1.128 196 R CA 1.230 57.144 56.100 -0.310 0.000 0.960 196 R CB -0.299 29.639 30.300 -0.602 0.000 0.855 196 R HN 0.038 nan 8.270 nan 0.000 0.432 197 V N 1.371 121.123 119.914 -0.270 0.000 2.287 197 V HA -0.287 3.834 4.120 0.001 0.000 0.248 197 V C 2.281 178.023 176.094 -0.587 0.000 1.053 197 V CA 2.106 64.190 62.300 -0.360 0.000 1.027 197 V CB -0.490 31.112 31.823 -0.369 0.000 0.646 197 V HN 0.399 nan 8.190 nan 0.000 0.447 198 E N 0.095 119.815 120.200 -0.800 0.000 2.058 198 E HA -0.248 4.103 4.350 0.001 0.000 0.194 198 E C 2.261 178.657 176.600 -0.340 0.000 0.997 198 E CA 1.464 57.389 56.400 -0.792 0.000 0.801 198 E CB -0.282 29.085 29.700 -0.555 0.000 0.746 198 E HN 0.561 nan 8.360 nan 0.000 0.450 199 A N 0.886 123.570 122.820 -0.227 0.000 1.908 199 A HA -0.194 4.127 4.320 0.001 0.000 0.218 199 A C 2.160 179.686 177.584 -0.097 0.000 1.181 199 A CA 1.550 53.517 52.037 -0.116 0.000 0.627 199 A CB -0.690 18.270 19.000 -0.067 0.000 0.818 199 A HN 0.337 nan 8.150 nan 0.000 0.445 200 I N -1.056 119.446 120.570 -0.114 0.000 2.127 200 I HA -0.274 3.896 4.170 0.001 0.000 0.241 200 I C 2.675 178.731 176.117 -0.101 0.000 1.075 200 I CA 1.842 63.088 61.300 -0.091 0.000 1.334 200 I CB -0.293 37.657 38.000 -0.084 0.000 1.040 200 I HN 0.296 nan 8.210 nan 0.000 0.405 201 R N 1.684 122.100 120.500 -0.141 0.000 2.083 201 R HA -0.178 4.162 4.340 0.001 0.000 0.237 201 R C 1.934 178.206 176.300 -0.046 0.000 1.137 201 R CA 1.841 57.891 56.100 -0.085 0.000 0.951 201 R CB -0.750 29.512 30.300 -0.063 0.000 0.851 201 R HN 0.333 nan 8.270 nan 0.000 0.434 202 N N 0.311 118.979 118.700 -0.054 0.000 2.149 202 N HA -0.132 4.609 4.740 0.001 0.000 0.188 202 N C 1.502 176.997 175.510 -0.025 0.000 1.019 202 N CA 1.730 54.765 53.050 -0.025 0.000 0.857 202 N CB -0.478 37.993 38.487 -0.027 0.000 0.997 202 N HN 0.395 nan 8.380 nan 0.000 0.426 203 A N 0.542 123.341 122.820 -0.036 0.000 1.898 203 A HA -0.062 4.258 4.320 0.001 0.000 0.216 203 A C 2.304 179.869 177.584 -0.031 0.000 1.181 203 A CA 1.862 53.881 52.037 -0.029 0.000 0.620 203 A CB -0.558 18.425 19.000 -0.029 0.000 0.819 203 A HN 0.219 nan 8.150 nan 0.000 0.442 204 V N -3.735 116.154 119.914 -0.042 0.000 3.354 204 V HA 0.519 4.639 4.120 0.001 0.000 0.258 204 V C 1.259 177.330 176.094 -0.038 0.000 1.159 204 V CA 0.490 62.762 62.300 -0.046 0.000 1.125 204 V CB -1.313 30.469 31.823 -0.068 0.000 0.774 204 V HN 1.715 nan 8.190 nan 0.000 0.464 205 G N 1.414 110.197 108.800 -0.029 0.000 2.741 205 G HA2 -0.171 3.789 3.960 0.001 0.000 0.222 205 G HA3 -0.171 3.789 3.960 0.001 0.000 0.222 205 G C -1.181 173.707 174.900 -0.021 0.000 1.364 205 G CA -0.011 45.078 45.100 -0.019 0.000 0.866 205 G HN 0.378 nan 8.290 nan 0.000 0.555 206 P HA 0.111 nan 4.420 nan 0.000 0.225 206 P C 0.512 177.798 177.300 -0.024 0.000 1.156 206 P CA 1.508 64.602 63.100 -0.011 0.000 0.787 206 P CB 0.162 31.859 31.700 -0.005 0.000 0.802 207 D N -0.337 120.044 120.400 -0.032 0.000 2.342 207 D HA 0.121 4.762 4.640 0.001 0.000 0.221 207 D C 0.054 176.313 176.300 -0.067 0.000 1.101 207 D CA 0.109 54.084 54.000 -0.041 0.000 0.837 207 D CB 0.798 41.580 40.800 -0.030 0.000 0.938 207 D HN 0.056 nan 8.370 nan 0.000 0.508 208 V N 1.596 121.461 119.914 -0.081 0.000 2.409 208 V HA 0.157 4.278 4.120 0.001 0.000 0.291 208 V C 0.098 176.095 176.094 -0.161 0.000 1.020 208 V CA -0.947 61.282 62.300 -0.118 0.000 0.848 208 V CB 2.486 34.250 31.823 -0.099 0.000 0.990 208 V HN -0.089 nan 8.190 nan 0.000 0.430 209 D N 4.216 124.456 120.400 -0.266 0.000 2.304 209 D HA 0.487 5.127 4.640 0.001 0.000 0.247 209 D C -0.364 175.744 176.300 -0.319 0.000 1.089 209 D CA 0.138 53.923 54.000 -0.358 0.000 0.910 209 D CB 2.173 42.471 40.800 -0.837 0.000 1.199 209 D HN 0.333 nan 8.370 nan 0.000 0.426 210 I N 2.559 122.992 120.570 -0.229 0.000 2.418 210 I HA 0.307 4.477 4.170 0.001 0.000 0.287 210 I C -0.120 175.860 176.117 -0.228 0.000 1.008 210 I CA -0.634 60.538 61.300 -0.214 0.000 1.104 210 I CB 1.498 39.416 38.000 -0.136 0.000 1.264 210 I HN 0.063 nan 8.210 nan 0.000 0.438 211 I N 6.556 126.912 120.570 -0.356 0.000 2.359 211 I HA 0.353 4.524 4.170 0.001 0.000 0.294 211 I C -0.315 175.678 176.117 -0.206 0.000 0.987 211 I CA -0.803 60.240 61.300 -0.427 0.000 1.225 211 I CB 1.847 39.347 38.000 -0.832 0.000 1.366 211 I HN 0.184 nan 8.210 nan 0.000 0.466 212 V N 5.097 124.982 119.914 -0.048 0.000 2.398 212 V HA 0.295 4.416 4.120 0.001 0.000 0.286 212 V C -0.171 176.023 176.094 0.167 0.000 1.026 212 V CA -0.567 61.791 62.300 0.098 0.000 0.868 212 V CB 1.579 33.514 31.823 0.186 0.000 0.982 212 V HN 0.722 nan 8.190 nan 0.000 0.443 213 E N 3.720 123.962 120.200 0.070 0.000 2.133 213 E HA 0.321 4.672 4.350 0.001 0.000 0.274 213 E C 0.213 176.786 176.600 -0.045 0.000 0.930 213 E CA 0.014 56.386 56.400 -0.046 0.000 0.770 213 E CB 1.045 30.644 29.700 -0.169 0.000 1.104 213 E HN 0.601 nan 8.360 nan 0.000 0.403 214 N N 2.785 121.435 118.700 -0.083 0.000 2.299 214 N HA 0.003 4.744 4.740 0.001 0.000 0.187 214 N C -0.375 175.064 175.510 -0.120 0.000 1.099 214 N CA -0.013 53.003 53.050 -0.057 0.000 0.867 214 N CB -0.057 38.373 38.487 -0.094 0.000 0.974 214 N HN 0.688 nan 8.380 nan 0.000 0.477 215 H N -0.675 118.281 119.070 -0.191 0.000 2.822 215 H HA -0.175 4.381 4.556 0.001 0.000 0.295 215 H C 1.077 176.145 175.328 -0.432 0.000 1.151 215 H CA 0.316 56.165 56.048 -0.332 0.000 1.151 215 H CB -1.366 28.075 29.762 -0.535 0.000 1.343 215 H HN 0.465 nan 8.280 nan 0.000 0.382 216 G N -0.948 107.751 108.800 -0.168 0.000 2.203 216 G HA2 -0.421 3.539 3.960 0.001 0.000 0.263 216 G HA3 -0.421 3.539 3.960 0.001 0.000 0.263 216 G C 0.562 175.425 174.900 -0.061 0.000 1.012 216 G CA 1.001 46.036 45.100 -0.109 0.000 0.749 216 G HN 0.816 nan 8.290 nan 0.000 0.512 217 H N -0.059 119.006 119.070 -0.009 0.000 2.482 217 H HA 0.133 4.690 4.556 0.001 0.000 0.286 217 H C 2.158 177.400 175.328 -0.143 0.000 1.017 217 H CA 0.858 56.864 56.048 -0.070 0.000 1.322 217 H CB 0.323 30.046 29.762 -0.064 0.000 1.426 217 H HN 0.592 nan 8.280 nan 0.000 0.546 218 T N -0.135 114.416 114.554 -0.005 0.000 2.788 218 T HA 0.225 4.575 4.350 0.001 0.000 0.280 218 T C 0.133 174.797 174.700 -0.060 0.000 0.984 218 T CA -0.794 61.270 62.100 -0.060 0.000 0.972 218 T CB 1.784 70.631 68.868 -0.035 0.000 1.039 218 T HN 0.247 nan 8.240 nan 0.000 0.530 219 D N -0.399 119.972 120.400 -0.050 0.000 2.689 219 D HA 0.319 4.959 4.640 0.001 0.000 0.255 219 D C 1.329 177.627 176.300 -0.004 0.000 1.113 219 D CA -0.937 53.047 54.000 -0.026 0.000 1.115 219 D CB 0.129 40.919 40.800 -0.018 0.000 1.334 219 D HN 0.543 nan 8.370 nan 0.000 0.621 220 L N -0.801 120.427 121.223 0.008 0.000 2.131 220 L HA 0.003 4.343 4.340 0.001 0.000 0.210 220 L C 1.632 178.527 176.870 0.043 0.000 1.092 220 L CA 1.211 56.065 54.840 0.024 0.000 0.759 220 L CB -0.838 41.235 42.059 0.024 0.000 0.903 220 L HN 0.281 nan 8.230 nan 0.000 0.435 221 V N 0.963 120.899 119.914 0.037 0.000 2.261 221 V HA -0.248 3.872 4.120 0.001 0.000 0.246 221 V C 2.939 179.070 176.094 0.063 0.000 1.047 221 V CA 2.062 64.390 62.300 0.047 0.000 1.015 221 V CB -1.070 30.776 31.823 0.039 0.000 0.642 221 V HN 0.788 nan 8.190 nan 0.000 0.446 222 S N 1.076 116.807 115.700 0.051 0.000 2.402 222 S HA -0.099 4.371 4.470 0.001 0.000 0.229 222 S C 2.099 176.785 174.600 0.142 0.000 1.021 222 S CA 1.198 59.439 58.200 0.068 0.000 0.974 222 S CB -0.563 62.642 63.200 0.010 0.000 0.800 222 S HN 0.569 nan 8.310 nan 0.000 0.484 223 A N 2.145 125.044 122.820 0.132 0.000 1.902 223 A HA 0.080 4.400 4.320 0.001 0.000 0.217 223 A C 2.214 179.987 177.584 0.314 0.000 1.181 223 A CA 1.422 53.598 52.037 0.231 0.000 0.623 223 A CB -0.819 18.226 19.000 0.075 0.000 0.818 223 A HN 0.553 nan 8.150 nan 0.000 0.443 224 I N -0.814 119.870 120.570 0.189 0.000 2.179 224 I HA -0.298 3.873 4.170 0.001 0.000 0.242 224 I C 2.833 179.029 176.117 0.131 0.000 1.088 224 I CA 1.772 63.161 61.300 0.149 0.000 1.357 224 I CB -0.377 37.678 38.000 0.093 0.000 1.051 224 I HN 0.520 nan 8.210 nan 0.000 0.409 225 Q N 0.476 120.359 119.800 0.138 0.000 2.061 225 Q HA -0.270 4.071 4.340 0.001 0.000 0.204 225 Q C 2.289 178.397 176.000 0.180 0.000 0.984 225 Q CA 2.013 57.894 55.803 0.130 0.000 0.846 225 Q CB -0.143 28.669 28.738 0.124 0.000 0.902 225 Q HN 0.413 nan 8.270 nan 0.000 0.421 226 F N 0.501 120.491 119.950 0.067 0.000 2.146 226 F HA -0.043 4.484 4.527 0.001 0.000 0.298 226 F C 2.077 177.865 175.800 -0.020 0.000 1.096 226 F CA 1.169 59.200 58.000 0.052 0.000 1.275 226 F CB -0.665 38.400 39.000 0.108 0.000 1.008 226 F HN 0.144 nan 8.300 nan 0.000 0.480 227 A N -0.068 122.705 122.820 -0.078 0.000 1.908 227 A HA -0.270 4.050 4.320 0.001 0.000 0.218 227 A C 2.192 179.626 177.584 -0.250 0.000 1.181 227 A CA 1.998 53.845 52.037 -0.318 0.000 0.627 227 A CB -0.806 18.125 19.000 -0.116 0.000 0.818 227 A HN 0.339 nan 8.150 nan 0.000 0.445 228 K N 0.024 120.351 120.400 -0.121 0.000 2.103 228 K HA -0.059 4.262 4.320 0.001 0.000 0.207 228 K C 1.870 178.384 176.600 -0.143 0.000 1.048 228 K CA 1.641 57.867 56.287 -0.102 0.000 0.930 228 K CB -0.435 32.043 32.500 -0.037 0.000 0.716 228 K HN 0.377 nan 8.250 nan 0.000 0.444 229 A N 0.317 123.036 122.820 -0.167 0.000 2.016 229 A HA 0.057 4.377 4.320 0.001 0.000 0.217 229 A C 1.918 179.383 177.584 -0.197 0.000 1.162 229 A CA 1.229 53.177 52.037 -0.148 0.000 0.662 229 A CB -0.580 18.381 19.000 -0.065 0.000 0.812 229 A HN 0.517 nan 8.150 nan 0.000 0.450 230 I N -4.710 115.649 120.570 -0.351 0.000 4.082 230 I HA 0.262 4.432 4.170 0.001 0.000 0.337 230 I C 1.519 177.524 176.117 -0.186 0.000 1.352 230 I CA 0.511 61.693 61.300 -0.197 0.000 1.097 230 I CB 0.042 37.762 38.000 -0.467 0.000 1.048 230 I HN 0.213 nan 8.210 nan 0.000 0.393 231 E N 2.863 122.905 120.200 -0.264 0.000 2.160 231 E HA -0.274 4.076 4.350 0.001 0.000 0.195 231 E C 1.902 178.353 176.600 -0.248 0.000 0.991 231 E CA 1.959 58.223 56.400 -0.226 0.000 0.810 231 E CB -0.008 29.579 29.700 -0.189 0.000 0.742 231 E HN 0.810 nan 8.360 nan 0.000 0.466 232 E N -0.538 119.418 120.200 -0.408 0.000 2.338 232 E HA -0.173 4.177 4.350 0.001 0.000 0.197 232 E C 1.086 177.359 176.600 -0.544 0.000 1.007 232 E CA 0.686 56.776 56.400 -0.517 0.000 0.849 232 E CB -0.340 28.948 29.700 -0.687 0.000 0.774 232 E HN 0.358 nan 8.360 nan 0.000 0.506 233 F N 1.625 121.503 119.950 -0.120 0.000 2.732 233 F HA 0.170 4.697 4.527 0.001 0.000 0.303 233 F C 0.489 176.234 175.800 -0.092 0.000 1.110 233 F CA -0.015 57.922 58.000 -0.105 0.000 1.355 233 F CB -0.358 38.569 39.000 -0.121 0.000 1.081 233 F HN 0.002 nan 8.300 nan 0.000 0.565 234 N N 2.135 120.841 118.700 0.010 0.000 2.648 234 N HA -0.182 4.559 4.740 0.001 0.000 0.265 234 N C -0.748 174.778 175.510 0.026 0.000 1.100 234 N CA -0.403 52.651 53.050 0.008 0.000 0.715 234 N CB -0.518 37.981 38.487 0.019 0.000 0.881 234 N HN -0.016 nan 8.380 nan 0.000 0.548 235 I N 2.834 123.400 120.570 -0.007 0.000 2.496 235 I HA -0.007 4.163 4.170 0.001 0.000 0.285 235 I C 1.648 177.786 176.117 0.035 0.000 1.080 235 I CA -0.074 61.215 61.300 -0.018 0.000 1.404 235 I CB 0.177 38.117 38.000 -0.100 0.000 1.403 235 I HN 0.301 nan 8.210 nan 0.000 0.539 236 F N 7.568 127.419 119.950 -0.164 0.000 2.060 236 F HA -0.098 4.430 4.527 0.001 0.000 0.295 236 F C 0.649 176.429 175.800 -0.034 0.000 1.120 236 F CA 1.219 59.121 58.000 -0.164 0.000 1.205 236 F CB 0.114 38.908 39.000 -0.345 0.000 0.986 236 F HN 0.460 nan 8.300 nan 0.000 0.470 237 F N -3.457 116.503 119.950 0.017 0.000 2.745 237 F HA 0.469 4.996 4.527 0.001 0.000 0.316 237 F C -1.932 173.928 175.800 0.100 0.000 1.155 237 F CA -2.075 55.909 58.000 -0.026 0.000 0.937 237 F CB 0.619 39.548 39.000 -0.118 0.000 1.361 237 F HN -0.215 nan 8.300 nan 0.000 0.472 238 Y N 1.730 122.207 120.300 0.296 0.000 2.327 238 Y HA 0.467 5.017 4.550 0.001 0.000 0.325 238 Y C -1.093 174.899 175.900 0.153 0.000 0.999 238 Y CA -1.621 56.567 58.100 0.147 0.000 1.195 238 Y CB 1.307 39.817 38.460 0.084 0.000 1.132 238 Y HN 0.874 nan 8.280 nan 0.000 0.455 239 E N 4.663 124.943 120.200 0.132 0.000 2.179 239 E HA 0.311 4.662 4.350 0.001 0.000 0.275 239 E C -0.716 175.799 176.600 -0.142 0.000 0.945 239 E CA -0.354 56.065 56.400 0.032 0.000 0.792 239 E CB 0.794 30.575 29.700 0.135 0.000 1.125 239 E HN 0.720 nan 8.360 nan 0.000 0.397 240 E N 3.203 123.310 120.200 -0.155 0.000 2.240 240 E HA -0.195 4.156 4.350 0.001 0.000 0.194 240 E C 0.775 177.250 176.600 -0.209 0.000 1.385 240 E CA 0.702 57.001 56.400 -0.167 0.000 0.686 240 E CB -1.301 28.323 29.700 -0.127 0.000 1.125 240 E HN 0.646 nan 8.360 nan 0.000 0.359 241 I N -1.878 118.531 120.570 -0.269 0.000 3.578 241 I HA 0.000 4.171 4.170 0.001 0.000 0.295 241 I C 0.854 176.875 176.117 -0.160 0.000 1.280 241 I CA 0.337 61.443 61.300 -0.323 0.000 1.347 241 I CB -0.037 37.648 38.000 -0.525 0.000 1.051 241 I HN 0.228 nan 8.210 nan 0.000 0.460 242 N N 0.239 118.872 118.700 -0.111 0.000 3.522 242 N HA 0.181 4.921 4.740 0.001 0.000 0.328 242 N C -0.892 174.595 175.510 -0.038 0.000 1.623 242 N CA -0.560 52.456 53.050 -0.057 0.000 0.812 242 N CB 0.617 39.087 38.487 -0.028 0.000 2.008 242 N HN -0.143 nan 8.380 nan 0.000 0.601 243 T N 1.833 116.381 114.554 -0.009 0.000 2.794 243 T HA 0.354 4.704 4.350 0.001 0.000 0.296 243 T C -1.605 173.111 174.700 0.027 0.000 0.949 243 T CA -0.800 61.304 62.100 0.006 0.000 1.101 243 T CB 1.160 70.040 68.868 0.019 0.000 0.905 243 T HN 0.422 nan 8.240 nan 0.000 0.516 244 P HA 0.136 nan 4.420 nan 0.000 0.245 244 P C 1.254 178.638 177.300 0.140 0.000 1.212 244 P CA 0.244 63.402 63.100 0.096 0.000 0.774 244 P CB 0.230 31.895 31.700 -0.059 0.000 0.999 245 L N -0.746 120.517 121.223 0.066 0.000 2.217 245 L HA -0.006 4.335 4.340 0.001 0.000 0.211 245 L C 1.100 177.983 176.870 0.022 0.000 1.107 245 L CA 0.858 55.728 54.840 0.050 0.000 0.783 245 L CB -0.483 41.603 42.059 0.046 0.000 0.919 245 L HN 0.046 nan 8.230 nan 0.000 0.442 246 N N 0.014 118.720 118.700 0.010 0.000 2.816 246 N HA 0.164 4.905 4.740 0.001 0.000 0.236 246 N C -1.924 173.536 175.510 -0.084 0.000 1.076 246 N CA -2.043 50.987 53.050 -0.033 0.000 0.902 246 N CB 1.261 39.739 38.487 -0.016 0.000 1.149 246 N HN -0.163 nan 8.380 nan 0.000 0.506 247 P HA -0.113 nan 4.420 nan 0.000 0.218 247 P C 1.285 178.368 177.300 -0.362 0.000 1.148 247 P CA 0.880 63.639 63.100 -0.568 0.000 0.822 247 P CB 0.345 31.388 31.700 -1.096 0.000 0.784 248 R N -0.095 120.269 120.500 -0.227 0.000 2.159 248 R HA -0.112 4.228 4.340 0.001 0.000 0.237 248 R C 2.054 178.314 176.300 -0.066 0.000 1.131 248 R CA 1.005 57.024 56.100 -0.134 0.000 0.982 248 R CB -0.791 29.453 30.300 -0.093 0.000 0.868 248 R HN 0.210 nan 8.270 nan 0.000 0.453 249 L N 0.214 121.412 121.223 -0.042 0.000 2.127 249 L HA -0.217 4.123 4.340 0.001 0.000 0.211 249 L C 2.312 179.194 176.870 0.020 0.000 1.089 249 L CA 0.641 55.480 54.840 -0.003 0.000 0.757 249 L CB -0.423 41.640 42.059 0.008 0.000 0.899 249 L HN 0.237 nan 8.230 nan 0.000 0.434 250 L N 0.325 121.578 121.223 0.051 0.000 2.083 250 L HA -0.208 4.133 4.340 0.001 0.000 0.209 250 L C 2.603 179.506 176.870 0.055 0.000 1.083 250 L CA 1.695 56.586 54.840 0.086 0.000 0.752 250 L CB -0.564 41.624 42.059 0.215 0.000 0.899 250 L HN 0.160 nan 8.230 nan 0.000 0.433 251 K N -0.809 119.606 120.400 0.025 0.000 2.057 251 K HA -0.190 4.131 4.320 0.001 0.000 0.207 251 K C 1.856 178.463 176.600 0.012 0.000 1.049 251 K CA 1.436 57.729 56.287 0.010 0.000 0.931 251 K CB -0.002 32.486 32.500 -0.019 0.000 0.714 251 K HN 0.310 nan 8.250 nan 0.000 0.440 252 E N 0.485 120.690 120.200 0.008 0.000 2.077 252 E HA -0.181 4.170 4.350 0.001 0.000 0.193 252 E C 2.009 178.623 176.600 0.024 0.000 0.989 252 E CA 1.202 57.609 56.400 0.012 0.000 0.800 252 E CB -0.322 29.384 29.700 0.009 0.000 0.746 252 E HN 0.446 nan 8.360 nan 0.000 0.452 253 A N 1.800 124.639 122.820 0.031 0.000 1.883 253 A HA -0.235 4.085 4.320 0.001 0.000 0.217 253 A C 2.180 179.795 177.584 0.050 0.000 1.186 253 A CA 2.029 54.093 52.037 0.044 0.000 0.624 253 A CB -0.508 18.518 19.000 0.043 0.000 0.822 253 A HN 0.196 nan 8.150 nan 0.000 0.444 254 K N 0.034 120.460 120.400 0.044 0.000 2.152 254 K HA -0.169 4.151 4.320 0.001 0.000 0.206 254 K C 1.851 178.469 176.600 0.031 0.000 1.048 254 K CA 1.623 57.935 56.287 0.041 0.000 0.933 254 K CB -0.162 32.358 32.500 0.034 0.000 0.721 254 K HN 0.477 nan 8.250 nan 0.000 0.447 255 K N 0.047 120.462 120.400 0.025 0.000 2.218 255 K HA -0.118 4.202 4.320 0.001 0.000 0.205 255 K C 1.134 177.745 176.600 0.019 0.000 1.046 255 K CA 1.148 57.445 56.287 0.018 0.000 0.933 255 K CB 0.132 32.641 32.500 0.014 0.000 0.728 255 K HN 0.046 nan 8.250 nan 0.000 0.454 256 K N -0.043 120.373 120.400 0.027 0.000 2.447 256 K HA 0.270 4.590 4.320 0.001 0.000 0.205 256 K C -0.144 176.476 176.600 0.032 0.000 1.059 256 K CA 0.106 56.408 56.287 0.026 0.000 1.065 256 K CB 1.045 33.564 32.500 0.031 0.000 0.885 256 K HN 0.071 nan 8.250 nan 0.000 0.545 257 I N 1.451 122.046 120.570 0.041 0.000 2.447 257 I HA 0.179 4.349 4.170 0.001 0.000 0.287 257 I C -0.446 175.689 176.117 0.029 0.000 1.023 257 I CA -0.442 60.889 61.300 0.051 0.000 1.083 257 I CB 2.009 40.084 38.000 0.124 0.000 1.245 257 I HN -0.157 nan 8.210 nan 0.000 0.434 258 D N 7.426 127.825 120.400 -0.001 0.000 2.755 258 D HA 0.374 5.014 4.640 0.001 0.000 0.257 258 D C -0.034 176.251 176.300 -0.025 0.000 1.291 258 D CA 0.279 54.271 54.000 -0.014 0.000 0.836 258 D CB 0.583 41.366 40.800 -0.029 0.000 1.059 258 D HN 0.298 nan 8.370 nan 0.000 0.486 259 I N 0.976 121.543 120.570 -0.006 0.000 2.441 259 I HA 0.270 4.441 4.170 0.001 0.000 0.295 259 I C -2.315 173.836 176.117 0.056 0.000 0.994 259 I CA -2.453 58.847 61.300 0.001 0.000 1.144 259 I CB 2.113 40.088 38.000 -0.042 0.000 1.314 259 I HN -0.379 nan 8.210 nan 0.000 0.445 260 P HA 0.101 nan 4.420 nan 0.000 0.265 260 P C -0.946 176.414 177.300 0.100 0.000 1.187 260 P CA 0.186 63.304 63.100 0.032 0.000 0.766 260 P CB 0.395 32.081 31.700 -0.024 0.000 0.820 261 L N 1.988 123.233 121.223 0.036 0.000 2.322 261 L HA 0.743 5.083 4.340 0.001 0.000 0.279 261 L C 0.376 177.187 176.870 -0.099 0.000 1.036 261 L CA -0.802 54.054 54.840 0.027 0.000 0.807 261 L CB 1.576 43.641 42.059 0.010 0.000 1.226 261 L HN 0.344 nan 8.230 nan 0.000 0.433 262 A N 2.016 124.770 122.820 -0.109 0.000 2.386 262 A HA 0.840 5.161 4.320 0.001 0.000 0.311 262 A C -0.699 176.783 177.584 -0.171 0.000 1.068 262 A CA -0.434 51.460 52.037 -0.238 0.000 0.743 262 A CB 2.072 20.831 19.000 -0.402 0.000 1.258 262 A HN 0.573 nan 8.150 nan 0.000 0.429 263 S N -0.542 115.042 115.700 -0.193 0.000 2.567 263 S HA 0.709 5.180 4.470 0.001 0.000 0.270 263 S C 0.120 174.647 174.600 -0.122 0.000 1.152 263 S CA 0.557 58.635 58.200 -0.203 0.000 0.835 263 S CB 1.413 64.393 63.200 -0.367 0.000 1.115 263 S HN 2.364 nan 8.310 nan 0.000 0.459 264 G N 1.800 110.531 108.800 -0.114 0.000 3.942 264 G HA2 -0.045 3.916 3.960 0.001 0.000 0.219 264 G HA3 -0.045 3.916 3.960 0.001 0.000 0.219 264 G C 0.612 175.504 174.900 -0.013 0.000 0.869 264 G CA 0.564 45.686 45.100 0.037 0.000 0.851 264 G HN 0.766 nan 8.290 nan 0.000 0.560 265 E N 0.620 120.768 120.200 -0.086 0.000 2.268 265 E HA 0.012 4.362 4.350 0.001 0.000 0.195 265 E C 1.585 178.111 176.600 -0.123 0.000 0.995 265 E CA 0.380 56.681 56.400 -0.165 0.000 0.836 265 E CB -0.053 29.304 29.700 -0.571 0.000 0.763 265 E HN 0.386 nan 8.360 nan 0.000 0.491 266 R N 0.605 120.953 120.500 -0.253 0.000 2.700 266 R HA 0.419 4.760 4.340 0.001 0.000 0.377 266 R C -0.543 175.209 176.300 -0.913 0.000 1.130 266 R CA -0.167 55.702 56.100 -0.384 0.000 1.055 266 R CB 0.541 30.759 30.300 -0.137 0.000 1.387 266 R HN 0.138 nan 8.270 nan 0.000 0.580 267 I N 0.527 120.461 120.570 -1.061 0.000 2.498 267 I HA 0.357 4.527 4.170 0.001 0.000 0.290 267 I C -1.165 174.348 176.117 -1.007 0.000 1.032 267 I CA -1.119 59.475 61.300 -1.177 0.000 1.073 267 I CB 1.697 38.877 38.000 -1.367 0.000 1.251 267 I HN -0.042 nan 8.210 nan 0.000 0.426 268 Y N 3.771 123.957 120.300 -0.191 0.000 2.406 268 Y HA 0.620 5.170 4.550 0.001 0.000 0.340 268 Y C 0.344 176.133 175.900 -0.185 0.000 0.975 268 Y CA -1.106 56.954 58.100 -0.066 0.000 1.056 268 Y CB 1.823 40.321 38.460 0.063 0.000 1.210 268 Y HN 0.778 nan 8.280 nan 0.000 0.448 269 S N 1.042 116.748 115.700 0.009 0.000 3.832 269 S HA -0.213 4.257 4.470 0.001 0.000 0.719 269 S C 0.696 175.433 174.600 0.228 0.000 1.382 269 S CA 0.179 58.384 58.200 0.008 0.000 1.406 269 S CB -0.312 62.699 63.200 -0.316 0.000 0.425 269 S HN 0.911 nan 8.310 nan 0.000 0.834 270 R N 0.185 120.756 120.500 0.118 0.000 2.133 270 R HA -0.120 4.220 4.340 0.001 0.000 0.247 270 R C 2.056 178.347 176.300 -0.014 0.000 1.151 270 R CA 2.582 58.645 56.100 -0.062 0.000 0.971 270 R CB -0.351 29.682 30.300 -0.444 0.000 0.866 270 R HN 0.753 nan 8.270 nan 0.000 0.447 271 W N -0.398 120.931 121.300 0.048 0.000 2.388 271 W HA -0.027 4.633 4.660 0.000 0.000 0.294 271 W C 2.177 178.738 176.519 0.070 0.000 1.212 271 W CA 1.115 58.512 57.345 0.087 0.000 1.271 271 W CB -0.544 29.012 29.460 0.161 0.000 1.126 271 W HN 0.306 nan 8.180 nan 0.000 0.535 272 G N -0.210 108.746 108.800 0.259 0.000 2.394 272 G HA2 -0.237 3.724 3.960 0.001 0.000 0.215 272 G HA3 -0.237 3.724 3.960 0.001 0.000 0.215 272 G C 1.237 176.122 174.900 -0.024 0.000 1.165 272 G CA 0.487 45.614 45.100 0.046 0.000 0.784 272 G HN 0.115 nan 8.290 nan 0.000 0.535 273 F N 0.150 120.152 119.950 0.088 0.000 2.367 273 F HA 0.158 4.685 4.527 0.001 0.000 0.298 273 F C 2.315 178.151 175.800 0.058 0.000 1.094 273 F CA 0.256 58.306 58.000 0.084 0.000 1.409 273 F CB -0.301 38.660 39.000 -0.064 0.000 1.064 273 F HN 0.096 nan 8.300 nan 0.000 0.528 274 L N 2.316 123.613 121.223 0.124 0.000 1.997 274 L HA -0.182 4.158 4.340 0.001 0.000 0.216 274 L C -0.542 176.280 176.870 -0.079 0.000 1.074 274 L CA 2.356 57.185 54.840 -0.018 0.000 0.763 274 L CB -1.895 40.134 42.059 -0.049 0.000 0.890 274 L HN -0.076 nan 8.230 nan 0.000 0.434 275 P HA -0.185 nan 4.420 nan 0.000 0.218 275 P C 1.705 178.817 177.300 -0.314 0.000 1.149 275 P CA 1.682 64.635 63.100 -0.245 0.000 0.817 275 P CB -0.282 31.199 31.700 -0.365 0.000 0.785 276 F N -0.300 119.576 119.950 -0.124 0.000 2.186 276 F HA -0.071 4.456 4.527 0.001 0.000 0.299 276 F C 2.577 178.253 175.800 -0.207 0.000 1.090 276 F CA 1.040 58.962 58.000 -0.128 0.000 1.307 276 F CB -1.336 37.611 39.000 -0.089 0.000 1.019 276 F HN -0.234 nan 8.300 nan 0.000 0.489 277 L N -0.403 120.727 121.223 -0.156 0.000 2.044 277 L HA -0.148 4.192 4.340 0.001 0.000 0.205 277 L C 2.331 178.766 176.870 -0.726 0.000 1.075 277 L CA 1.289 55.741 54.840 -0.647 0.000 0.747 277 L CB -0.758 40.705 42.059 -0.993 0.000 0.903 277 L HN 0.121 nan 8.230 nan 0.000 0.435 278 E N 0.277 120.226 120.200 -0.419 0.000 2.118 278 E HA -0.236 4.114 4.350 0.001 0.000 0.195 278 E C 1.353 177.898 176.600 -0.091 0.000 0.992 278 E CA 1.368 57.666 56.400 -0.170 0.000 0.804 278 E CB -0.087 29.558 29.700 -0.092 0.000 0.741 278 E HN 0.488 nan 8.360 nan 0.000 0.458 279 D N -0.116 120.214 120.400 -0.115 0.000 2.347 279 D HA -0.044 4.597 4.640 0.001 0.000 0.213 279 D C 0.476 176.759 176.300 -0.028 0.000 0.985 279 D CA 0.225 54.187 54.000 -0.063 0.000 0.879 279 D CB 0.051 40.801 40.800 -0.083 0.000 0.919 279 D HN -0.097 nan 8.370 nan 0.000 0.526 280 R N 0.442 120.910 120.500 -0.053 0.000 3.405 280 R HA -0.198 4.142 4.340 0.001 0.000 0.258 280 R C 0.637 176.944 176.300 0.011 0.000 1.030 280 R CA 0.675 56.767 56.100 -0.013 0.000 0.691 280 R CB -2.609 27.727 30.300 0.059 0.000 1.093 280 R HN 0.209 nan 8.270 nan 0.000 0.448 281 S N -1.980 113.740 115.700 0.033 0.000 2.524 281 S HA 0.271 4.741 4.470 0.001 0.000 0.216 281 S C 0.885 175.518 174.600 0.054 0.000 0.987 281 S CA 0.093 58.330 58.200 0.063 0.000 0.909 281 S CB 0.363 63.629 63.200 0.110 0.000 0.781 281 S HN 0.355 nan 8.310 nan 0.000 0.521 282 I N 2.107 122.695 120.570 0.030 0.000 2.406 282 I HA 0.351 4.522 4.170 0.001 0.000 0.290 282 I C 0.002 176.078 176.117 -0.068 0.000 0.999 282 I CA -0.586 60.689 61.300 -0.042 0.000 1.124 282 I CB 1.956 39.907 38.000 -0.082 0.000 1.289 282 I HN -0.001 nan 8.210 nan 0.000 0.441 283 D N 4.207 124.544 120.400 -0.105 0.000 2.277 283 D HA 0.072 4.713 4.640 0.001 0.000 0.209 283 D C 0.196 176.378 176.300 -0.196 0.000 0.970 283 D CA 1.297 55.223 54.000 -0.122 0.000 0.874 283 D CB 0.969 41.701 40.800 -0.114 0.000 0.982 283 D HN 0.146 nan 8.370 nan 0.000 0.504 284 V N 3.206 122.936 119.914 -0.307 0.000 2.409 284 V HA 0.276 4.396 4.120 0.001 0.000 0.290 284 V C 0.165 176.060 176.094 -0.332 0.000 1.017 284 V CA -0.881 61.177 62.300 -0.404 0.000 0.841 284 V CB 1.718 33.046 31.823 -0.825 0.000 1.003 284 V HN 0.006 nan 8.190 nan 0.000 0.426 285 I N 2.303 122.725 120.570 -0.247 0.000 2.532 285 I HA 0.588 4.758 4.170 0.001 0.000 0.292 285 I C 0.045 176.070 176.117 -0.154 0.000 1.014 285 I CA -0.147 61.033 61.300 -0.200 0.000 1.340 285 I CB 0.958 38.753 38.000 -0.343 0.000 1.422 285 I HN 0.603 nan 8.210 nan 0.000 0.528 286 Q N 4.744 124.531 119.800 -0.022 0.000 2.656 286 Q HA 0.359 4.699 4.340 0.001 0.000 0.389 286 Q C -2.507 173.616 176.000 0.206 0.000 0.883 286 Q CA -1.781 54.078 55.803 0.094 0.000 1.056 286 Q CB 0.658 29.473 28.738 0.129 0.000 1.391 286 Q HN 0.537 nan 8.270 nan 0.000 0.399 287 P HA -0.087 nan 4.420 nan 0.000 0.268 287 P C -0.527 177.003 177.300 0.383 0.000 1.205 287 P CA 0.216 63.489 63.100 0.289 0.000 0.771 287 P CB 0.991 32.712 31.700 0.034 0.000 0.858 288 D N 2.632 123.260 120.400 0.381 0.000 2.249 288 D HA 0.108 4.748 4.640 0.001 0.000 0.246 288 D C 1.470 177.941 176.300 0.285 0.000 1.114 288 D CA -0.450 53.771 54.000 0.368 0.000 0.854 288 D CB 0.995 42.045 40.800 0.417 0.000 1.132 288 D HN 0.236 nan 8.370 nan 0.000 0.461 289 L N 3.014 124.325 121.223 0.148 0.000 2.129 289 L HA -0.142 4.199 4.340 0.001 0.000 0.212 289 L C 2.128 179.021 176.870 0.039 0.000 1.087 289 L CA 1.533 56.372 54.840 -0.003 0.000 0.757 289 L CB -0.106 41.763 42.059 -0.317 0.000 0.896 289 L HN 0.532 nan 8.230 nan 0.000 0.434 290 G N -2.133 106.710 108.800 0.071 0.000 2.985 290 G HA2 -0.065 3.895 3.960 0.001 0.000 0.209 290 G HA3 -0.065 3.895 3.960 0.001 0.000 0.209 290 G C 1.301 176.267 174.900 0.110 0.000 1.165 290 G CA 0.885 46.023 45.100 0.065 0.000 0.776 290 G HN 0.468 nan 8.290 nan 0.000 0.541 291 T N -3.853 110.814 114.554 0.187 0.000 2.992 291 T HA -0.081 4.269 4.350 0.001 0.000 0.255 291 T C 2.209 177.109 174.700 0.333 0.000 0.938 291 T CA 0.900 63.122 62.100 0.204 0.000 0.895 291 T CB -0.531 68.470 68.868 0.223 0.000 1.221 291 T HN 0.357 nan 8.240 nan 0.000 0.512 292 C N 1.669 121.188 119.300 0.365 0.000 2.500 292 C HA 0.687 5.147 4.460 0.001 0.000 0.273 292 C C 2.129 177.312 174.990 0.322 0.000 1.428 292 C CA 0.169 59.412 59.018 0.375 0.000 1.766 292 C CB -1.308 26.660 27.740 0.379 0.000 1.817 292 C HN 1.058 nan 8.230 nan 0.000 0.543 293 G N -0.718 108.319 108.800 0.395 0.000 2.155 293 G HA2 0.443 4.403 3.960 0.001 0.000 0.130 293 G HA3 0.443 4.403 3.960 0.001 0.000 0.130 293 G C 0.721 175.985 174.900 0.606 0.000 1.027 293 G CA 0.250 45.724 45.100 0.623 0.000 0.705 293 G HN 2.317 nan 8.290 nan 0.000 0.496 294 G N -1.205 107.799 108.800 0.339 0.000 2.725 294 G HA2 0.014 3.975 3.960 0.001 0.000 0.220 294 G HA3 0.014 3.975 3.960 0.001 0.000 0.220 294 G C 0.644 175.628 174.900 0.140 0.000 1.357 294 G CA 0.123 45.340 45.100 0.193 0.000 0.866 294 G HN 0.888 nan 8.290 nan 0.000 0.548 295 F N 0.408 120.400 119.950 0.069 0.000 2.091 295 F HA -0.153 4.374 4.527 0.001 0.000 0.299 295 F C 3.268 179.031 175.800 -0.062 0.000 1.103 295 F CA 2.424 60.309 58.000 -0.192 0.000 1.228 295 F CB -0.525 38.004 39.000 -0.784 0.000 0.984 295 F HN 0.553 nan 8.300 nan 0.000 0.477 296 T N -0.938 113.837 114.554 0.368 0.000 2.652 296 T HA -0.268 4.082 4.350 0.001 0.000 0.267 296 T C 1.727 176.466 174.700 0.065 0.000 1.039 296 T CA 1.861 64.139 62.100 0.296 0.000 1.153 296 T CB -0.311 68.797 68.868 0.400 0.000 0.863 296 T HN 0.168 nan 8.240 nan 0.000 0.428 297 E N 0.156 120.404 120.200 0.080 0.000 2.170 297 E HA 0.071 4.421 4.350 0.001 0.000 0.191 297 E C 1.708 178.347 176.600 0.065 0.000 0.981 297 E CA 0.386 56.772 56.400 -0.023 0.000 0.830 297 E CB -0.410 29.363 29.700 0.121 0.000 0.775 297 E HN 0.514 nan 8.360 nan 0.000 0.470 298 F N 1.387 121.345 119.950 0.013 0.000 2.091 298 F HA -0.228 4.299 4.527 0.001 0.000 0.299 298 F C 2.130 177.894 175.800 -0.060 0.000 1.103 298 F CA 1.953 59.939 58.000 -0.025 0.000 1.228 298 F CB -0.042 38.955 39.000 -0.006 0.000 0.984 298 F HN -0.057 nan 8.300 nan 0.000 0.477 299 K N 0.456 120.993 120.400 0.229 0.000 2.032 299 K HA -0.227 4.094 4.320 0.001 0.000 0.209 299 K C 2.098 178.657 176.600 -0.068 0.000 1.048 299 K CA 1.866 58.203 56.287 0.083 0.000 0.927 299 K CB -0.114 32.425 32.500 0.065 0.000 0.712 299 K HN 0.266 nan 8.250 nan 0.000 0.441 300 K N 0.330 120.677 120.400 -0.088 0.000 2.057 300 K HA -0.117 4.203 4.320 0.001 0.000 0.207 300 K C 2.124 178.616 176.600 -0.180 0.000 1.049 300 K CA 1.596 57.802 56.287 -0.136 0.000 0.931 300 K CB -0.162 32.230 32.500 -0.181 0.000 0.714 300 K HN 0.164 nan 8.250 nan 0.000 0.440 301 I N 1.127 121.552 120.570 -0.241 0.000 2.142 301 I HA -0.302 3.868 4.170 0.001 0.000 0.240 301 I C 2.559 178.445 176.117 -0.384 0.000 1.078 301 I CA 1.279 62.371 61.300 -0.348 0.000 1.343 301 I CB -0.440 37.253 38.000 -0.512 0.000 1.046 301 I HN 0.157 nan 8.210 nan 0.000 0.405 302 A N 0.524 123.071 122.820 -0.455 0.000 1.908 302 A HA -0.249 4.071 4.320 0.001 0.000 0.218 302 A C 1.946 179.432 177.584 -0.163 0.000 1.181 302 A CA 2.204 54.023 52.037 -0.365 0.000 0.627 302 A CB -0.635 18.130 19.000 -0.391 0.000 0.818 302 A HN 0.378 nan 8.150 nan 0.000 0.445 303 D N -0.845 119.484 120.400 -0.118 0.000 2.117 303 D HA -0.145 4.495 4.640 0.001 0.000 0.198 303 D C 1.907 178.217 176.300 0.017 0.000 0.982 303 D CA 1.501 55.482 54.000 -0.033 0.000 0.828 303 D CB -0.391 40.388 40.800 -0.036 0.000 0.967 303 D HN 0.543 nan 8.370 nan 0.000 0.464 304 M N 0.586 120.176 119.600 -0.016 0.000 2.117 304 M HA -0.138 4.342 4.480 0.001 0.000 0.262 304 M C 1.991 178.402 176.300 0.185 0.000 1.065 304 M CA 1.570 56.907 55.300 0.062 0.000 1.114 304 M CB 0.106 32.715 32.600 0.014 0.000 1.361 304 M HN -0.002 nan 8.290 nan 0.000 0.408 305 A N -1.019 121.842 122.820 0.068 0.000 1.972 305 A HA -0.246 4.074 4.320 0.001 0.000 0.219 305 A C 1.801 179.498 177.584 0.189 0.000 1.169 305 A CA 2.028 54.124 52.037 0.099 0.000 0.635 305 A CB -1.171 17.769 19.000 -0.100 0.000 0.810 305 A HN 0.720 nan 8.150 nan 0.000 0.446 306 H N 0.586 119.663 119.070 0.012 0.000 2.387 306 H HA -0.090 4.466 4.556 0.001 0.000 0.299 306 H C 1.605 176.920 175.328 -0.021 0.000 1.099 306 H CA 1.916 57.960 56.048 -0.007 0.000 1.315 306 H CB -0.383 29.363 29.762 -0.026 0.000 1.380 306 H HN 0.504 nan 8.280 nan 0.000 0.513 307 I N -1.085 119.445 120.570 -0.066 0.000 2.567 307 I HA -0.223 3.948 4.170 0.001 0.000 0.257 307 I C 0.983 176.839 176.117 -0.436 0.000 1.184 307 I CA 0.967 62.076 61.300 -0.318 0.000 1.451 307 I CB -0.274 37.467 38.000 -0.433 0.000 1.089 307 I HN 0.115 nan 8.210 nan 0.000 0.441 308 F N 0.661 120.563 119.950 -0.080 0.000 2.641 308 F HA 0.211 4.738 4.527 0.001 0.000 0.302 308 F C 0.591 176.353 175.800 -0.063 0.000 1.098 308 F CA -0.344 57.619 58.000 -0.062 0.000 1.318 308 F CB -0.348 38.629 39.000 -0.039 0.000 1.035 308 F HN -0.016 nan 8.300 nan 0.000 0.551 309 E N 0.422 120.641 120.200 0.031 0.000 2.252 309 E HA -0.166 4.185 4.350 0.001 0.000 0.218 309 E C -0.897 175.729 176.600 0.043 0.000 1.253 309 E CA -0.076 56.329 56.400 0.009 0.000 0.705 309 E CB -1.381 28.306 29.700 -0.021 0.000 1.172 309 E HN 0.088 nan 8.360 nan 0.000 0.369 310 V N 0.752 120.707 119.914 0.068 0.000 2.555 310 V HA 0.494 4.614 4.120 0.001 0.000 0.302 310 V C 0.752 176.845 176.094 -0.001 0.000 1.038 310 V CA 0.023 62.329 62.300 0.011 0.000 0.887 310 V CB 2.042 33.864 31.823 -0.000 0.000 0.991 310 V HN 0.388 nan 8.190 nan 0.000 0.434 311 T N 1.432 115.949 114.554 -0.061 0.000 2.938 311 T HA 0.843 5.193 4.350 0.001 0.000 0.285 311 T C -0.730 173.894 174.700 -0.127 0.000 1.028 311 T CA -0.789 61.272 62.100 -0.066 0.000 1.005 311 T CB 1.939 70.769 68.868 -0.063 0.000 1.157 311 T HN 0.358 nan 8.240 nan 0.000 0.550 312 V N 1.559 121.414 119.914 -0.097 0.000 2.638 312 V HA 0.552 4.673 4.120 0.001 0.000 0.306 312 V C -0.765 175.333 176.094 0.006 0.000 1.052 312 V CA -0.794 61.459 62.300 -0.079 0.000 0.885 312 V CB 1.625 33.408 31.823 -0.067 0.000 0.999 312 V HN 1.007 nan 8.190 nan 0.000 0.424 313 Q N 3.658 123.479 119.800 0.035 0.000 2.339 313 Q HA 0.659 4.999 4.340 0.001 0.000 0.268 313 Q C -0.287 175.858 176.000 0.241 0.000 1.027 313 Q CA -0.568 55.336 55.803 0.167 0.000 0.759 313 Q CB 1.945 30.804 28.738 0.202 0.000 1.244 313 Q HN 0.959 nan 8.270 nan 0.000 0.464 314 A N 4.107 127.135 122.820 0.346 0.000 2.540 314 A HA -0.011 4.310 4.320 0.001 0.000 0.239 314 A C -0.115 177.599 177.584 0.217 0.000 1.061 314 A CA 0.040 52.285 52.037 0.347 0.000 0.758 314 A CB -0.006 19.143 19.000 0.248 0.000 0.991 314 A HN 0.840 nan 8.150 nan 0.000 0.502 315 H N 2.324 121.502 119.070 0.180 0.000 2.819 315 H HA 0.419 4.975 4.556 0.001 0.000 0.303 315 H C -1.311 174.086 175.328 0.116 0.000 1.058 315 H CA 0.156 56.298 56.048 0.155 0.000 1.471 315 H CB 0.519 30.399 29.762 0.196 0.000 1.480 315 H HN 0.295 nan 8.280 nan 0.000 0.517 316 V N 4.530 124.169 119.914 -0.459 0.000 2.447 316 V HA 0.489 4.610 4.120 0.001 0.000 0.292 316 V C -0.149 175.725 176.094 -0.367 0.000 1.021 316 V CA -0.286 61.837 62.300 -0.296 0.000 0.850 316 V CB 1.114 32.840 31.823 -0.162 0.000 1.005 316 V HN 0.916 nan 8.190 nan 0.000 0.426 317 A N 3.376 126.017 122.820 -0.298 0.000 3.411 317 A HA 0.813 5.133 4.320 0.001 0.000 0.238 317 A C 0.133 177.600 177.584 -0.194 0.000 1.140 317 A CA 0.328 52.153 52.037 -0.355 0.000 0.980 317 A CB 0.356 19.104 19.000 -0.421 0.000 1.371 317 A HN 1.183 nan 8.150 nan 0.000 0.700 318 G N -0.342 108.354 108.800 -0.173 0.000 2.894 318 G HA2 0.666 4.626 3.960 0.001 0.000 0.164 318 G HA3 0.666 4.626 3.960 0.001 0.000 0.164 318 G C 0.282 175.140 174.900 -0.070 0.000 1.180 318 G CA 0.549 45.611 45.100 -0.063 0.000 0.997 318 G HN 1.058 nan 8.290 nan 0.000 0.572 319 T N -1.687 112.968 114.554 0.168 0.000 2.732 319 T HA 0.450 4.800 4.350 0.001 0.000 0.287 319 T C 1.837 176.622 174.700 0.141 0.000 0.993 319 T CA 0.984 63.221 62.100 0.227 0.000 0.966 319 T CB 0.895 69.892 68.868 0.215 0.000 1.047 319 T HN 1.263 nan 8.240 nan 0.000 0.527 320 G N -0.349 108.552 108.800 0.169 0.000 2.498 320 G HA2 -0.088 3.872 3.960 0.001 0.000 0.219 320 G HA3 -0.088 3.872 3.960 0.001 0.000 0.219 320 G C 1.342 176.350 174.900 0.179 0.000 1.119 320 G CA 0.706 45.921 45.100 0.192 0.000 0.766 320 G HN 0.589 nan 8.290 nan 0.000 0.552 321 V N 1.428 121.423 119.914 0.135 0.000 2.244 321 V HA -0.120 4.001 4.120 0.001 0.000 0.244 321 V C 3.307 179.446 176.094 0.076 0.000 1.042 321 V CA 2.018 64.385 62.300 0.112 0.000 1.006 321 V CB -1.010 30.861 31.823 0.080 0.000 0.641 321 V HN 0.451 nan 8.190 nan 0.000 0.446 322 A N -0.353 122.500 122.820 0.054 0.000 1.903 322 A HA -0.353 3.967 4.320 0.001 0.000 0.219 322 A C 2.238 179.834 177.584 0.020 0.000 1.191 322 A CA 2.572 54.620 52.037 0.019 0.000 0.638 322 A CB -0.646 18.372 19.000 0.030 0.000 0.823 322 A HN 0.656 nan 8.150 nan 0.000 0.451 323 E N -0.593 119.642 120.200 0.059 0.000 2.047 323 E HA -0.034 4.316 4.350 0.001 0.000 0.191 323 E C 2.187 178.764 176.600 -0.038 0.000 0.987 323 E CA 1.066 57.503 56.400 0.062 0.000 0.799 323 E CB -0.302 29.487 29.700 0.149 0.000 0.752 323 E HN 0.537 nan 8.360 nan 0.000 0.449 324 A N 1.179 123.995 122.820 -0.007 0.000 1.883 324 A HA -0.184 4.137 4.320 0.001 0.000 0.217 324 A C 2.430 180.034 177.584 0.033 0.000 1.186 324 A CA 2.053 54.026 52.037 -0.108 0.000 0.624 324 A CB -1.047 17.968 19.000 0.025 0.000 0.822 324 A HN 0.421 nan 8.150 nan 0.000 0.444 325 A N 0.357 123.238 122.820 0.103 0.000 1.883 325 A HA -0.160 4.161 4.320 0.001 0.000 0.217 325 A C 2.550 180.182 177.584 0.081 0.000 1.186 325 A CA 2.708 54.850 52.037 0.176 0.000 0.624 325 A CB -1.153 17.811 19.000 -0.060 0.000 0.822 325 A HN 1.143 nan 8.150 nan 0.000 0.444 326 S N 0.131 115.792 115.700 -0.066 0.000 2.383 326 S HA -0.137 4.334 4.470 0.001 0.000 0.229 326 S C 1.884 176.419 174.600 -0.107 0.000 1.030 326 S CA 1.523 59.654 58.200 -0.115 0.000 1.002 326 S CB -0.828 62.365 63.200 -0.011 0.000 0.829 326 S HN 0.466 nan 8.310 nan 0.000 0.467 327 L N 0.870 121.974 121.223 -0.199 0.000 2.046 327 L HA -0.127 4.214 4.340 0.001 0.000 0.208 327 L C 3.054 179.713 176.870 -0.351 0.000 1.077 327 L CA 1.691 56.293 54.840 -0.398 0.000 0.747 327 L CB -0.944 40.720 42.059 -0.659 0.000 0.896 327 L HN 0.432 nan 8.230 nan 0.000 0.432 328 H N -0.192 118.797 119.070 -0.134 0.000 2.353 328 H HA -0.102 4.455 4.556 0.001 0.000 0.300 328 H C 2.324 177.607 175.328 -0.075 0.000 1.090 328 H CA 1.536 57.546 56.048 -0.063 0.000 1.327 328 H CB -0.028 29.718 29.762 -0.026 0.000 1.383 328 H HN 0.383 nan 8.280 nan 0.000 0.508 329 A N 1.261 124.130 122.820 0.082 0.000 1.902 329 A HA -0.173 4.147 4.320 0.001 0.000 0.217 329 A C 2.304 179.855 177.584 -0.055 0.000 1.181 329 A CA 1.643 53.626 52.037 -0.091 0.000 0.623 329 A CB -0.338 18.300 19.000 -0.604 0.000 0.818 329 A HN 0.447 nan 8.150 nan 0.000 0.443 330 E N -0.868 119.270 120.200 -0.104 0.000 2.107 330 E HA -0.080 4.271 4.350 0.001 0.000 0.191 330 E C 1.840 178.283 176.600 -0.261 0.000 0.982 330 E CA 0.926 57.283 56.400 -0.073 0.000 0.809 330 E CB -0.182 29.425 29.700 -0.155 0.000 0.756 330 E HN 0.663 nan 8.360 nan 0.000 0.459 331 I N 0.578 120.956 120.570 -0.320 0.000 2.614 331 I HA -0.171 3.999 4.170 0.001 0.000 0.258 331 I C 1.905 177.918 176.117 -0.174 0.000 1.189 331 I CA 0.591 61.688 61.300 -0.338 0.000 1.462 331 I CB 0.156 37.886 38.000 -0.450 0.000 1.092 331 I HN 0.007 nan 8.210 nan 0.000 0.442 332 A N 0.582 123.356 122.820 -0.076 0.000 2.251 332 A HA 0.245 4.566 4.320 0.001 0.000 0.209 332 A C 0.949 178.538 177.584 0.008 0.000 1.187 332 A CA -0.082 51.952 52.037 -0.005 0.000 0.823 332 A CB -0.619 18.390 19.000 0.016 0.000 0.846 332 A HN 0.497 nan 8.150 nan 0.000 0.486 333 I N -4.355 116.228 120.570 0.022 0.000 2.493 333 I HA 0.478 4.649 4.170 0.001 0.000 0.298 333 I C -2.033 174.078 176.117 -0.011 0.000 0.998 333 I CA -2.627 58.686 61.300 0.021 0.000 1.137 333 I CB 1.972 40.026 38.000 0.089 0.000 1.310 333 I HN -0.179 nan 8.210 nan 0.000 0.445 334 P HA -0.125 nan 4.420 nan 0.000 0.219 334 P C 0.195 177.443 177.300 -0.087 0.000 1.150 334 P CA 1.181 64.209 63.100 -0.121 0.000 0.814 334 P CB -0.163 31.390 31.700 -0.245 0.000 0.787 335 N N 0.003 118.616 118.700 -0.145 0.000 2.758 335 N HA 0.030 4.770 4.740 0.001 0.000 0.293 335 N C -0.674 174.886 175.510 0.084 0.000 1.273 335 N CA -0.796 52.230 53.050 -0.040 0.000 1.022 335 N CB -1.117 37.337 38.487 -0.055 0.000 1.334 335 N HN 0.038 nan 8.380 nan 0.000 0.519 336 F N 0.541 120.495 119.950 0.007 0.000 2.412 336 F HA 0.289 4.817 4.527 0.001 0.000 0.348 336 F C 1.300 177.157 175.800 0.095 0.000 1.102 336 F CA -1.004 57.033 58.000 0.063 0.000 1.196 336 F CB 1.232 40.276 39.000 0.074 0.000 1.144 336 F HN 0.198 nan 8.300 nan 0.000 0.541 337 C N 6.559 125.442 119.300 -0.695 0.000 2.664 337 C HA 0.551 5.011 4.460 0.001 0.000 0.285 337 C C 0.371 174.908 174.990 -0.756 0.000 1.386 337 C CA 0.041 58.770 59.018 -0.482 0.000 1.753 337 C CB -0.598 27.039 27.740 -0.172 0.000 2.115 337 C HN 0.812 nan 8.230 nan 0.000 0.577 338 I N -1.108 118.907 120.570 -0.925 0.000 2.897 338 I HA 0.308 4.479 4.170 0.001 0.000 0.299 338 I C -1.694 174.528 176.117 0.175 0.000 1.527 338 I CA -0.621 60.544 61.300 -0.225 0.000 0.979 338 I CB 1.636 39.804 38.000 0.281 0.000 1.360 338 I HN 0.519 nan 8.210 nan 0.000 0.495 339 H N 4.425 123.743 119.070 0.414 0.000 2.457 339 H HA 0.389 4.946 4.556 0.001 0.000 0.335 339 H C -0.886 174.433 175.328 -0.015 0.000 1.115 339 H CA -0.339 55.927 56.048 0.363 0.000 1.219 339 H CB 1.441 31.463 29.762 0.433 0.000 1.471 339 H HN 0.524 nan 8.280 nan 0.000 0.491 340 E N 3.832 123.624 120.200 -0.680 0.000 2.180 340 E HA 0.047 4.397 4.350 0.001 0.000 0.283 340 E C -1.095 175.291 176.600 -0.356 0.000 1.061 340 E CA -0.638 55.219 56.400 -0.904 0.000 0.861 340 E CB 0.287 29.675 29.700 -0.521 0.000 1.056 340 E HN 0.622 nan 8.360 nan 0.000 0.407 341 H N 4.512 123.452 119.070 -0.215 0.000 2.638 341 H HA 0.170 4.726 4.556 0.001 0.000 0.303 341 H C -0.986 174.457 175.328 0.192 0.000 1.034 341 H CA -0.551 55.605 56.048 0.181 0.000 1.225 341 H CB 0.126 30.119 29.762 0.385 0.000 1.394 341 H HN 0.485 nan 8.280 nan 0.000 0.477 342 H N 3.381 122.332 119.070 -0.199 0.000 2.652 342 H HA -0.006 4.550 4.556 0.001 0.000 0.349 342 H C 0.923 176.095 175.328 -0.260 0.000 1.099 342 H CA 0.107 56.066 56.048 -0.149 0.000 1.417 342 H CB 1.280 30.923 29.762 -0.198 0.000 1.457 342 H HN 0.847 nan 8.280 nan 0.000 0.568 343 Q N 4.396 124.176 119.800 -0.034 0.000 2.234 343 Q HA -0.214 4.127 4.340 0.001 0.000 0.206 343 Q C 1.756 177.684 176.000 -0.120 0.000 0.980 343 Q CA 2.162 57.850 55.803 -0.190 0.000 0.869 343 Q CB -0.300 28.422 28.738 -0.027 0.000 0.912 343 Q HN 0.738 nan 8.270 nan 0.000 0.436 344 K N 0.780 121.244 120.400 0.107 0.000 2.103 344 K HA -0.188 4.132 4.320 0.001 0.000 0.207 344 K C 1.938 178.394 176.600 -0.240 0.000 1.048 344 K CA 1.878 58.067 56.287 -0.164 0.000 0.930 344 K CB -0.959 31.251 32.500 -0.484 0.000 0.716 344 K HN 0.424 nan 8.250 nan 0.000 0.444 345 T N 0.016 114.408 114.554 -0.270 0.000 2.977 345 T HA -0.058 4.293 4.350 0.001 0.000 0.271 345 T C 1.829 176.478 174.700 -0.085 0.000 1.105 345 T CA 0.969 62.977 62.100 -0.154 0.000 1.116 345 T CB -0.405 68.397 68.868 -0.110 0.000 0.878 345 T HN 0.265 nan 8.240 nan 0.000 0.509 346 L N -0.084 121.027 121.223 -0.187 0.000 2.395 346 L HA 0.322 4.662 4.340 0.001 0.000 0.218 346 L C 0.793 177.606 176.870 -0.096 0.000 1.130 346 L CA 0.125 54.853 54.840 -0.187 0.000 0.826 346 L CB -0.494 41.322 42.059 -0.404 0.000 0.941 346 L HN 0.260 nan 8.230 nan 0.000 0.451 347 L N 0.344 121.544 121.223 -0.039 0.000 2.326 347 L HA 0.181 4.521 4.340 0.001 0.000 0.278 347 L C -1.339 175.561 176.870 0.050 0.000 1.092 347 L CA -1.733 53.114 54.840 0.013 0.000 0.810 347 L CB 0.234 42.328 42.059 0.059 0.000 1.153 347 L HN -0.235 nan 8.230 nan 0.000 0.439 348 P HA -0.180 nan 4.420 nan 0.000 0.220 348 P C 1.146 178.453 177.300 0.010 0.000 1.148 348 P CA 0.984 64.093 63.100 0.015 0.000 0.803 348 P CB 0.115 31.813 31.700 -0.003 0.000 0.782 349 E N -1.615 118.586 120.200 0.001 0.000 2.204 349 E HA -0.209 4.141 4.350 0.001 0.000 0.194 349 E C 1.330 177.841 176.600 -0.148 0.000 0.989 349 E CA 1.106 57.462 56.400 -0.075 0.000 0.824 349 E CB -0.946 28.692 29.700 -0.102 0.000 0.756 349 E HN 0.301 nan 8.360 nan 0.000 0.477 350 Y N 1.185 121.470 120.300 -0.025 0.000 2.301 350 Y HA 0.024 4.574 4.550 0.001 0.000 0.295 350 Y C 2.503 178.398 175.900 -0.008 0.000 1.119 350 Y CA 0.774 58.863 58.100 -0.018 0.000 1.162 350 Y CB 0.238 38.684 38.460 -0.023 0.000 1.046 350 Y HN -0.025 nan 8.280 nan 0.000 0.538 351 E N 1.109 121.395 120.200 0.142 0.000 2.147 351 E HA -0.284 4.066 4.350 0.001 0.000 0.199 351 E C 1.532 178.154 176.600 0.036 0.000 1.005 351 E CA 1.890 58.337 56.400 0.079 0.000 0.810 351 E CB -0.032 29.697 29.700 0.048 0.000 0.736 351 E HN 0.765 nan 8.360 nan 0.000 0.460 352 E N -0.241 119.964 120.200 0.008 0.000 2.482 352 E HA -0.075 4.275 4.350 0.001 0.000 0.196 352 E C 2.049 178.630 176.600 -0.032 0.000 1.047 352 E CA 0.226 56.615 56.400 -0.019 0.000 0.869 352 E CB -0.151 29.530 29.700 -0.031 0.000 0.836 352 E HN 0.269 nan 8.360 nan 0.000 0.520 353 L N 0.282 121.490 121.223 -0.024 0.000 2.341 353 L HA 0.143 4.483 4.340 0.001 0.000 0.214 353 L C 0.642 177.490 176.870 -0.036 0.000 1.115 353 L CA -0.093 54.720 54.840 -0.046 0.000 0.820 353 L CB 0.191 42.225 42.059 -0.043 0.000 0.944 353 L HN 0.223 nan 8.230 nan 0.000 0.452 354 C N -1.720 117.577 119.300 -0.004 0.000 2.614 354 C HA 0.308 4.768 4.460 0.001 0.000 0.320 354 C C 1.876 176.838 174.990 -0.048 0.000 1.200 354 C CA -0.863 58.156 59.018 0.000 0.000 1.700 354 C CB 2.248 30.028 27.740 0.066 0.000 2.275 354 C HN 0.013 nan 8.230 nan 0.000 0.492 355 V N 0.970 120.823 119.914 -0.102 0.000 2.358 355 V HA -0.103 4.017 4.120 0.001 0.000 0.246 355 V C 0.796 176.647 176.094 -0.406 0.000 1.047 355 V CA 1.623 63.759 62.300 -0.273 0.000 1.035 355 V CB -0.654 30.944 31.823 -0.376 0.000 0.658 355 V HN 0.740 nan 8.190 nan 0.000 0.452 356 H N 0.325 119.351 119.070 -0.073 0.000 2.457 356 H HA 0.379 4.935 4.556 0.001 0.000 0.335 356 H C -0.568 174.605 175.328 -0.259 0.000 1.115 356 H CA -0.602 55.289 56.048 -0.262 0.000 1.219 356 H CB 1.101 30.553 29.762 -0.517 0.000 1.471 356 H HN 0.103 nan 8.280 nan 0.000 0.491 357 N N 3.422 122.040 118.700 -0.136 0.000 2.955 357 N HA 0.053 4.794 4.740 0.001 0.000 0.242 357 N C -1.274 174.221 175.510 -0.025 0.000 1.123 357 N CA -0.395 52.636 53.050 -0.030 0.000 0.949 357 N CB -0.357 38.141 38.487 0.017 0.000 1.214 357 N HN 0.332 nan 8.380 nan 0.000 0.504 358 Y N 1.342 121.750 120.300 0.179 0.000 2.496 358 Y HA 0.200 4.750 4.550 0.001 0.000 0.334 358 Y C 0.701 176.785 175.900 0.306 0.000 1.080 358 Y CA 0.259 58.481 58.100 0.204 0.000 1.355 358 Y CB 0.517 39.055 38.460 0.129 0.000 1.193 358 Y HN 0.236 nan 8.280 nan 0.000 0.523 359 Q N 4.684 124.679 119.800 0.324 0.000 2.397 359 Q HA 0.435 4.776 4.340 0.001 0.000 0.275 359 Q C -2.610 173.197 176.000 -0.321 0.000 1.090 359 Q CA -2.391 53.431 55.803 0.032 0.000 0.809 359 Q CB 2.069 30.844 28.738 0.061 0.000 1.362 359 Q HN 0.378 nan 8.270 nan 0.000 0.431 360 P HA 0.118 nan 4.420 nan 0.000 0.269 360 P C -0.773 176.290 177.300 -0.396 0.000 1.215 360 P CA -0.184 62.415 63.100 -0.835 0.000 0.780 360 P CB 0.562 31.766 31.700 -0.826 0.000 0.898 361 V N 3.490 123.217 119.914 -0.311 0.000 2.487 361 V HA 0.239 4.360 4.120 0.001 0.000 0.298 361 V C 0.301 176.259 176.094 -0.227 0.000 1.028 361 V CA -0.742 61.431 62.300 -0.211 0.000 0.860 361 V CB 1.186 32.936 31.823 -0.121 0.000 0.991 361 V HN 0.578 nan 8.190 nan 0.000 0.427 362 K N 3.678 123.941 120.400 -0.229 0.000 3.156 362 K HA -0.242 4.078 4.320 0.001 0.000 0.266 362 K C 1.072 177.500 176.600 -0.287 0.000 0.966 362 K CA 0.700 56.855 56.287 -0.220 0.000 0.719 362 K CB -1.347 31.074 32.500 -0.132 0.000 1.333 362 K HN 1.596 nan 8.250 nan 0.000 0.468 363 G N -0.152 108.341 108.800 -0.511 0.000 2.155 363 G HA2 -0.334 3.626 3.960 0.001 0.000 0.257 363 G HA3 -0.334 3.626 3.960 0.001 0.000 0.257 363 G C -0.288 174.456 174.900 -0.259 0.000 0.983 363 G CA 0.543 45.328 45.100 -0.525 0.000 0.676 363 G HN 0.264 nan 8.290 nan 0.000 0.528 364 R N -0.754 119.592 120.500 -0.257 0.000 2.621 364 R HA 0.589 4.929 4.340 0.001 0.000 0.292 364 R C -1.044 175.144 176.300 -0.186 0.000 0.969 364 R CA -0.945 55.071 56.100 -0.140 0.000 0.887 364 R CB 1.134 31.380 30.300 -0.090 0.000 1.180 364 R HN 0.248 nan 8.270 nan 0.000 0.450 365 Y N 1.073 121.288 120.300 -0.142 0.000 2.360 365 Y HA 0.357 4.907 4.550 0.001 0.000 0.337 365 Y C 0.479 176.247 175.900 -0.219 0.000 1.039 365 Y CA -0.620 57.353 58.100 -0.212 0.000 1.109 365 Y CB 2.059 40.314 38.460 -0.343 0.000 1.201 365 Y HN 0.163 nan 8.280 nan 0.000 0.458 366 K N 2.703 123.131 120.400 0.047 0.000 2.138 366 K HA 0.367 4.688 4.320 0.001 0.000 0.263 366 K C -1.032 175.414 176.600 -0.257 0.000 0.965 366 K CA -0.891 55.328 56.287 -0.114 0.000 0.868 366 K CB 2.490 34.943 32.500 -0.078 0.000 1.083 366 K HN 0.376 nan 8.250 nan 0.000 0.443 367 V N 3.979 123.658 119.914 -0.393 0.000 2.715 367 V HA 0.107 4.227 4.120 0.001 0.000 0.299 367 V C -2.198 173.635 176.094 -0.434 0.000 1.054 367 V CA -1.650 60.308 62.300 -0.569 0.000 1.077 367 V CB 0.741 32.119 31.823 -0.743 0.000 0.972 367 V HN 0.601 nan 8.190 nan 0.000 0.484 368 P HA 0.169 nan 4.420 nan 0.000 0.269 368 P C -0.156 177.148 177.300 0.007 0.000 1.209 368 P CA 0.119 63.071 63.100 -0.247 0.000 0.776 368 P CB 0.386 31.902 31.700 -0.307 0.000 0.876 369 E N 1.144 121.388 120.200 0.073 0.000 2.538 369 E HA 0.153 4.503 4.350 0.001 0.000 0.207 369 E C 0.523 177.184 176.600 0.102 0.000 1.002 369 E CA -0.082 56.401 56.400 0.137 0.000 0.952 369 E CB 0.208 29.966 29.700 0.097 0.000 1.031 369 E HN 0.422 nan 8.360 nan 0.000 0.476 370 L N 1.920 123.197 121.223 0.090 0.000 2.476 370 L HA 0.196 4.536 4.340 0.001 0.000 0.255 370 L C -2.051 174.851 176.870 0.055 0.000 1.218 370 L CA -1.787 53.092 54.840 0.065 0.000 0.819 370 L CB -0.299 41.799 42.059 0.065 0.000 1.119 370 L HN -0.226 nan 8.230 nan 0.000 0.485 371 P HA 0.119 nan 4.420 nan 0.000 0.268 371 P C 0.302 177.595 177.300 -0.011 0.000 1.205 371 P CA 0.686 63.785 63.100 -0.002 0.000 0.771 371 P CB 0.638 32.337 31.700 -0.003 0.000 0.858 372 G N 2.888 111.653 108.800 -0.058 0.000 2.539 372 G HA2 -0.302 3.659 3.960 0.001 0.000 0.256 372 G HA3 -0.302 3.659 3.960 0.001 0.000 0.256 372 G C 0.846 175.638 174.900 -0.180 0.000 1.233 372 G CA 0.137 45.186 45.100 -0.085 0.000 0.936 372 G HN 0.604 nan 8.290 nan 0.000 0.571 373 I N -0.886 119.621 120.570 -0.106 0.000 2.928 373 I HA 0.426 4.597 4.170 0.001 0.000 0.266 373 I C 1.796 178.011 176.117 0.163 0.000 1.234 373 I CA 1.244 62.482 61.300 -0.104 0.000 1.483 373 I CB -0.355 37.704 38.000 0.099 0.000 1.097 373 I HN 2.421 nan 8.210 nan 0.000 0.455 374 G N 1.206 110.099 108.800 0.154 0.000 2.149 374 G HA2 -0.249 3.711 3.960 0.001 0.000 0.235 374 G HA3 -0.249 3.711 3.960 0.001 0.000 0.235 374 G C -0.211 174.909 174.900 0.367 0.000 1.018 374 G CA 0.379 45.608 45.100 0.215 0.000 0.728 374 G HN 0.648 nan 8.290 nan 0.000 0.508 375 Q N -0.423 119.578 119.800 0.335 0.000 2.418 375 Q HA 0.709 5.049 4.340 0.001 0.000 0.282 375 Q C -1.615 174.547 176.000 0.271 0.000 1.044 375 Q CA -0.674 55.363 55.803 0.389 0.000 0.813 375 Q CB 2.214 31.152 28.738 0.334 0.000 1.428 375 Q HN 0.183 nan 8.270 nan 0.000 0.402 376 D N 0.627 121.154 120.400 0.212 0.000 2.599 376 D HA 0.436 5.076 4.640 0.001 0.000 0.252 376 D C -0.908 175.434 176.300 0.070 0.000 1.232 376 D CA -0.524 53.575 54.000 0.164 0.000 0.819 376 D CB 1.455 42.367 40.800 0.187 0.000 1.401 376 D HN 0.651 nan 8.370 nan 0.000 0.429 377 I N -1.052 119.532 120.570 0.024 0.000 2.713 377 I HA 0.517 4.687 4.170 0.001 0.000 0.300 377 I C 0.869 176.955 176.117 -0.052 0.000 1.009 377 I CA -0.583 60.675 61.300 -0.070 0.000 1.305 377 I CB 1.143 39.004 38.000 -0.232 0.000 1.430 377 I HN 0.270 nan 8.210 nan 0.000 0.546 378 T N 0.359 114.871 114.554 -0.069 0.000 2.828 378 T HA 0.245 4.595 4.350 0.001 0.000 0.290 378 T C 0.694 175.388 174.700 -0.011 0.000 1.019 378 T CA -0.395 61.680 62.100 -0.043 0.000 1.031 378 T CB 1.208 70.047 68.868 -0.048 0.000 1.001 378 T HN 0.728 nan 8.240 nan 0.000 0.531 379 E N -0.112 120.085 120.200 -0.004 0.000 2.204 379 E HA -0.072 4.278 4.350 0.001 0.000 0.195 379 E C 2.016 178.643 176.600 0.044 0.000 0.990 379 E CA 0.664 57.067 56.400 0.004 0.000 0.821 379 E CB -0.122 29.546 29.700 -0.054 0.000 0.750 379 E HN 0.634 nan 8.360 nan 0.000 0.477 380 K N 0.517 120.923 120.400 0.010 0.000 2.218 380 K HA -0.185 4.135 4.320 0.001 0.000 0.205 380 K C 1.902 178.518 176.600 0.027 0.000 1.046 380 K CA 0.692 56.983 56.287 0.007 0.000 0.933 380 K CB -0.126 32.360 32.500 -0.022 0.000 0.728 380 K HN 0.125 nan 8.250 nan 0.000 0.454 381 L N 0.499 121.726 121.223 0.006 0.000 2.042 381 L HA -0.221 4.119 4.340 0.001 0.000 0.210 381 L C 1.826 178.684 176.870 -0.020 0.000 1.076 381 L CA 1.662 56.429 54.840 -0.122 0.000 0.749 381 L CB -0.475 41.325 42.059 -0.431 0.000 0.893 381 L HN 0.192 nan 8.230 nan 0.000 0.432 382 Y N -0.423 119.861 120.300 -0.028 0.000 2.256 382 Y HA -0.287 4.264 4.550 0.001 0.000 0.288 382 Y C 2.549 178.412 175.900 -0.063 0.000 1.155 382 Y CA 1.605 59.705 58.100 -0.000 0.000 1.203 382 Y CB -0.637 37.742 38.460 -0.134 0.000 0.980 382 Y HN 0.374 nan 8.280 nan 0.000 0.530 383 Q N -0.326 119.530 119.800 0.093 0.000 2.354 383 Q HA 0.102 4.443 4.340 0.001 0.000 0.203 383 Q C 1.126 177.126 176.000 -0.000 0.000 0.933 383 Q CA 0.934 56.760 55.803 0.039 0.000 0.901 383 Q CB 0.093 28.849 28.738 0.030 0.000 1.007 383 Q HN 0.687 nan 8.270 nan 0.000 0.495 384 I N -2.312 118.208 120.570 -0.083 0.000 3.762 384 I HA 0.342 4.513 4.170 0.001 0.000 0.333 384 I C -0.221 175.496 176.117 -0.667 0.000 1.566 384 I CA -0.663 60.521 61.300 -0.193 0.000 1.129 384 I CB 0.572 38.529 38.000 -0.073 0.000 1.218 384 I HN -0.140 nan 8.210 nan 0.000 0.456 385 S N -1.218 114.063 115.700 -0.697 0.000 2.588 385 S HA 0.476 4.946 4.470 0.001 0.000 0.275 385 S C -0.995 173.411 174.600 -0.322 0.000 1.130 385 S CA -0.874 56.962 58.200 -0.605 0.000 0.855 385 S CB 1.788 64.953 63.200 -0.058 0.000 1.116 385 S HN 0.092 nan 8.310 nan 0.000 0.472 386 D N 1.872 122.232 120.400 -0.068 0.000 2.358 386 D HA 0.233 4.874 4.640 0.001 0.000 0.258 386 D C -0.996 175.350 176.300 0.076 0.000 1.223 386 D CA 0.509 54.572 54.000 0.104 0.000 0.886 386 D CB 0.169 41.046 40.800 0.128 0.000 1.120 386 D HN 0.572 nan 8.370 nan 0.000 0.482 387 Y N 2.367 122.616 120.300 -0.084 0.000 2.341 387 Y HA 0.453 5.004 4.550 0.001 0.000 0.338 387 Y C -1.267 174.526 175.900 -0.179 0.000 0.965 387 Y CA -0.722 57.247 58.100 -0.217 0.000 1.108 387 Y CB 1.113 39.462 38.460 -0.185 0.000 1.180 387 Y HN 0.108 nan 8.280 nan 0.000 0.458 388 V N 5.234 124.654 119.914 -0.823 0.000 2.588 388 V HA 0.514 4.634 4.120 0.001 0.000 0.304 388 V C -0.795 174.760 176.094 -0.897 0.000 1.042 388 V CA -0.712 61.199 62.300 -0.648 0.000 0.877 388 V CB 1.853 33.476 31.823 -0.332 0.000 0.996 388 V HN 0.781 nan 8.190 nan 0.000 0.425 389 S N 4.851 120.179 115.700 -0.620 0.000 2.502 389 S HA 0.829 5.299 4.470 0.001 0.000 0.304 389 S C -1.079 173.421 174.600 -0.166 0.000 1.097 389 S CA -0.415 57.548 58.200 -0.395 0.000 1.045 389 S CB 0.963 64.028 63.200 -0.225 0.000 1.019 389 S HN 0.505 nan 8.310 nan 0.000 0.481 390 I N 3.884 124.400 120.570 -0.089 0.000 2.436 390 I HA 0.519 4.689 4.170 0.001 0.000 0.289 390 I C 0.154 176.277 176.117 0.011 0.000 1.010 390 I CA -0.193 61.091 61.300 -0.027 0.000 1.098 390 I CB 1.944 39.942 38.000 -0.004 0.000 1.266 390 I HN 0.686 nan 8.210 nan 0.000 0.434 391 E N 3.106 123.315 120.200 0.016 0.000 2.458 391 E HA 0.843 5.193 4.350 0.001 0.000 0.250 391 E C -0.802 175.813 176.600 0.024 0.000 0.883 391 E CA -1.187 55.231 56.400 0.030 0.000 0.868 391 E CB 1.741 31.462 29.700 0.035 0.000 1.593 391 E HN 0.561 nan 8.360 nan 0.000 0.410 392 A N 0.000 122.836 122.820 0.026 0.000 2.254 392 A HA 0.000 4.320 4.320 0.001 0.000 0.244 392 A CA 0.000 52.055 52.037 0.029 0.000 0.836 392 A CB 0.000 19.021 19.000 0.035 0.000 0.831 392 A HN 0.000 nan 8.150 nan 0.000 0.486