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 2byw_1_C DATA FIRST_RESID 1 DATA SEQUENCE MKRVVITGLG IVSSIGNNQQ EVLASLREGR SGITFSQELK DSGMRSHVWG DATA SEQUENCE NVKLDTTGLI DRKVVRFMSD ASIYAFLSME QAIADAGLSP EAYQNNPRVG DATA SEQUENCE LIAGSGGGSP RFQVFGADAM RGPRGLKAVG PYVVTKAMAS GVSACLATPF DATA SEQUENCE KIHGVNYSIS SACATSAHCI GNAVEQIQLG KQDIVFAGGG EELCWEMACE DATA SEQUENCE FDAMGALSTK YNDTPEKASR TYDAHRDGFV IAGGGGMVVV EELEHALARG DATA SEQUENCE AHIYAEIVGY GATSDGADMV APSGEGAVRC MKMAMHGVDT PIDYLNSHGT DATA SEQUENCE STPVGDVKEL AAIREVFGDK SPAISATAAM TGHSLGAAGV QEAIYSLLML DATA SEQUENCE EHGFIAPSIN IEELDEQAAG LNIVTETTDR ELTTVMSNSF GFGGTNATLV DATA SEQUENCE MRKLKD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.307 176.300 0.011 0.000 1.140 1 M CA 0.000 55.308 55.300 0.013 0.000 0.988 1 M CB 0.000 32.609 32.600 0.014 0.000 1.302 2 K N 2.037 122.443 120.400 0.009 0.000 2.382 2 K HA 0.343 4.663 4.320 -0.000 0.000 0.275 2 K C -0.581 176.022 176.600 0.005 0.000 1.009 2 K CA 0.164 56.454 56.287 0.006 0.000 0.970 2 K CB 0.340 32.841 32.500 0.001 0.000 0.934 2 K HN 0.485 nan 8.250 nan 0.000 0.479 3 R N 0.650 121.152 120.500 0.004 0.000 2.457 3 R HA 0.426 4.766 4.340 -0.000 0.000 0.284 3 R C -0.332 175.964 176.300 -0.007 0.000 1.024 3 R CA -0.734 55.367 56.100 0.002 0.000 1.025 3 R CB 1.035 31.337 30.300 0.003 0.000 1.063 3 R HN 0.221 nan 8.270 nan 0.000 0.493 4 V N 2.939 122.846 119.914 -0.011 0.000 2.656 4 V HA 0.483 4.603 4.120 -0.000 0.000 0.307 4 V C -0.170 175.908 176.094 -0.027 0.000 1.051 4 V CA -0.795 61.488 62.300 -0.027 0.000 0.893 4 V CB 1.727 33.528 31.823 -0.037 0.000 0.999 4 V HN 0.627 nan 8.190 nan 0.000 0.426 5 V N 1.933 121.827 119.914 -0.035 0.000 3.126 5 V HA 0.702 4.822 4.120 -0.000 0.000 0.314 5 V C -0.901 175.175 176.094 -0.030 0.000 1.138 5 V CA -0.944 61.341 62.300 -0.026 0.000 1.034 5 V CB 2.512 34.321 31.823 -0.024 0.000 1.075 5 V HN 0.568 nan 8.190 nan 0.000 0.442 6 I N 2.571 123.143 120.570 0.003 0.000 2.339 6 I HA 0.459 4.629 4.170 -0.000 0.000 0.290 6 I C 1.050 177.247 176.117 0.133 0.000 0.994 6 I CA 0.152 61.469 61.300 0.027 0.000 1.191 6 I CB 1.245 39.255 38.000 0.016 0.000 1.343 6 I HN 1.050 nan 8.210 nan 0.000 0.458 7 T N 1.108 115.730 114.554 0.113 0.000 3.040 7 T HA 0.499 4.849 4.350 -0.000 0.000 0.266 7 T C 0.520 175.387 174.700 0.278 0.000 1.005 7 T CA -0.303 61.892 62.100 0.159 0.000 0.906 7 T CB 0.500 69.397 68.868 0.049 0.000 1.082 7 T HN 0.762 nan 8.240 nan 0.000 0.531 8 G N 1.379 110.347 108.800 0.281 0.000 2.616 8 G HA2 0.549 4.509 3.960 -0.000 0.000 0.294 8 G HA3 0.549 4.509 3.960 -0.000 0.000 0.294 8 G C -2.047 172.886 174.900 0.056 0.000 1.489 8 G CA -0.925 44.331 45.100 0.261 0.000 0.836 8 G HN 0.647 nan 8.290 nan 0.000 0.527 9 L N -1.102 120.120 121.223 -0.001 0.000 2.469 9 L HA 1.067 5.407 4.340 -0.000 0.000 0.256 9 L C -0.036 176.794 176.870 -0.068 0.000 1.006 9 L CA -0.908 53.860 54.840 -0.120 0.000 0.832 9 L CB 1.904 43.779 42.059 -0.306 0.000 1.421 9 L HN 1.264 nan 8.230 nan 0.000 0.410 10 G N 0.743 109.492 108.800 -0.085 0.000 2.719 10 G HA2 0.762 4.722 3.960 -0.000 0.000 0.298 10 G HA3 0.762 4.722 3.960 -0.000 0.000 0.298 10 G C -2.071 172.787 174.900 -0.071 0.000 1.411 10 G CA -0.618 44.444 45.100 -0.063 0.000 0.991 10 G HN 1.012 nan 8.290 nan 0.000 0.509 11 I N 0.721 121.263 120.570 -0.047 0.000 2.787 11 I HA 0.621 4.791 4.170 -0.000 0.000 0.294 11 I C -1.553 174.544 176.117 -0.033 0.000 1.365 11 I CA -0.937 60.331 61.300 -0.053 0.000 1.029 11 I CB 2.355 40.319 38.000 -0.060 0.000 1.313 11 I HN 0.359 nan 8.210 nan 0.000 0.431 12 V N 6.309 126.188 119.914 -0.059 0.000 2.419 12 V HA 0.601 4.721 4.120 -0.000 0.000 0.287 12 V C -0.345 175.649 176.094 -0.168 0.000 1.017 12 V CA -0.185 62.060 62.300 -0.092 0.000 0.844 12 V CB 1.367 33.144 31.823 -0.076 0.000 1.011 12 V HN 0.825 nan 8.190 nan 0.000 0.429 13 S N 2.366 117.998 115.700 -0.114 0.000 2.697 13 S HA 0.453 4.923 4.470 -0.000 0.000 0.289 13 S C 1.166 175.704 174.600 -0.103 0.000 1.149 13 S CA 0.106 58.244 58.200 -0.104 0.000 0.850 13 S CB 1.785 65.016 63.200 0.052 0.000 1.151 13 S HN 0.940 nan 8.310 nan 0.000 0.491 14 S N 0.508 116.153 115.700 -0.092 0.000 2.440 14 S HA -0.110 4.360 4.470 -0.000 0.000 0.238 14 S C 1.465 176.037 174.600 -0.047 0.000 1.010 14 S CA 1.194 59.344 58.200 -0.083 0.000 0.972 14 S CB -1.173 61.990 63.200 -0.061 0.000 0.774 14 S HN 1.054 nan 8.310 nan 0.000 0.501 15 I N -2.491 118.059 120.570 -0.033 0.000 3.941 15 I HA 0.662 4.832 4.170 -0.000 0.000 0.335 15 I C 0.583 176.684 176.117 -0.027 0.000 1.402 15 I CA -0.373 60.902 61.300 -0.041 0.000 1.112 15 I CB 0.145 38.092 38.000 -0.088 0.000 1.043 15 I HN 0.300 nan 8.210 nan 0.000 0.395 16 G N 1.100 109.889 108.800 -0.018 0.000 2.378 16 G HA2 0.045 4.005 3.960 -0.000 0.000 0.302 16 G HA3 0.045 4.005 3.960 -0.000 0.000 0.302 16 G C -0.798 174.095 174.900 -0.013 0.000 1.669 16 G CA -0.646 44.448 45.100 -0.010 0.000 0.920 16 G HN 0.004 nan 8.290 nan 0.000 0.697 17 N N 0.137 118.830 118.700 -0.012 0.000 2.336 17 N HA 0.095 4.835 4.740 -0.000 0.000 0.189 17 N C 0.375 175.887 175.510 0.003 0.000 1.113 17 N CA 0.694 53.738 53.050 -0.009 0.000 0.858 17 N CB 0.284 38.770 38.487 -0.001 0.000 0.970 17 N HN 0.815 nan 8.380 nan 0.000 0.471 18 N N -1.654 117.051 118.700 0.007 0.000 3.116 18 N HA -0.012 4.728 4.740 -0.000 0.000 0.244 18 N C 0.348 175.871 175.510 0.022 0.000 1.485 18 N CA -0.685 52.372 53.050 0.013 0.000 0.884 18 N CB 0.480 38.976 38.487 0.014 0.000 1.415 18 N HN -0.154 nan 8.380 nan 0.000 0.524 19 Q N -1.211 118.607 119.800 0.030 0.000 2.224 19 Q HA -0.106 4.234 4.340 -0.000 0.000 0.203 19 Q C 0.699 176.719 176.000 0.033 0.000 0.970 19 Q CA 1.413 57.245 55.803 0.049 0.000 0.865 19 Q CB -0.271 28.510 28.738 0.071 0.000 0.922 19 Q HN 0.599 nan 8.270 nan 0.000 0.445 20 Q N 1.419 121.227 119.800 0.014 0.000 2.050 20 Q HA -0.131 4.209 4.340 -0.000 0.000 0.202 20 Q C 1.817 177.797 176.000 -0.034 0.000 0.980 20 Q CA 2.070 57.863 55.803 -0.017 0.000 0.840 20 Q CB -0.049 28.682 28.738 -0.012 0.000 0.898 20 Q HN 0.585 nan 8.270 nan 0.000 0.424 21 E N -0.390 119.799 120.200 -0.018 0.000 2.072 21 E HA -0.130 4.220 4.350 -0.000 0.000 0.191 21 E C 2.019 178.604 176.600 -0.025 0.000 0.985 21 E CA 1.223 57.608 56.400 -0.024 0.000 0.801 21 E CB -0.048 29.644 29.700 -0.014 0.000 0.750 21 E HN 0.103 nan 8.360 nan 0.000 0.452 22 V N 1.631 121.547 119.914 0.004 0.000 2.295 22 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 22 V C 2.333 178.426 176.094 -0.001 0.000 1.049 22 V CA 1.486 63.800 62.300 0.024 0.000 1.024 22 V CB -0.410 31.487 31.823 0.123 0.000 0.648 22 V HN 0.233 nan 8.190 nan 0.000 0.447 23 L N 1.049 122.267 121.223 -0.008 0.000 2.012 23 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 23 L C 2.446 179.222 176.870 -0.156 0.000 1.073 23 L CA 2.537 57.337 54.840 -0.066 0.000 0.748 23 L CB -1.079 40.870 42.059 -0.183 0.000 0.891 23 L HN 0.222 nan 8.230 nan 0.000 0.431 24 A N -1.362 121.374 122.820 -0.140 0.000 1.883 24 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 24 A C 2.394 179.904 177.584 -0.122 0.000 1.186 24 A CA 2.147 54.097 52.037 -0.145 0.000 0.624 24 A CB -1.079 17.860 19.000 -0.102 0.000 0.822 24 A HN 0.560 nan 8.150 nan 0.000 0.444 25 S N -0.156 115.490 115.700 -0.090 0.000 2.368 25 S HA -0.096 4.374 4.470 -0.000 0.000 0.225 25 S C 1.842 176.391 174.600 -0.086 0.000 1.030 25 S CA 1.463 59.613 58.200 -0.083 0.000 0.999 25 S CB -0.484 62.668 63.200 -0.080 0.000 0.844 25 S HN 0.502 nan 8.310 nan 0.000 0.459 26 L N 0.848 122.026 121.223 -0.075 0.000 2.017 26 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 26 L C 2.699 179.588 176.870 0.031 0.000 1.073 26 L CA 1.350 56.192 54.840 0.003 0.000 0.745 26 L CB -0.436 41.722 42.059 0.165 0.000 0.894 26 L HN 0.214 nan 8.230 nan 0.000 0.432 27 R N -0.036 120.371 120.500 -0.156 0.000 2.115 27 R HA -0.133 4.207 4.340 -0.000 0.000 0.230 27 R C 1.815 178.033 176.300 -0.136 0.000 1.111 27 R CA 1.131 57.063 56.100 -0.281 0.000 0.976 27 R CB -0.081 29.916 30.300 -0.504 0.000 0.870 27 R HN 0.461 nan 8.270 nan 0.000 0.445 28 E N -0.765 119.371 120.200 -0.106 0.000 2.474 28 E HA 0.089 4.439 4.350 -0.000 0.000 0.194 28 E C 0.589 177.162 176.600 -0.045 0.000 1.041 28 E CA 0.272 56.628 56.400 -0.072 0.000 0.874 28 E CB 0.723 30.380 29.700 -0.071 0.000 0.914 28 E HN 0.428 nan 8.360 nan 0.000 0.498 29 G N 2.887 111.664 108.800 -0.038 0.000 2.273 29 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.280 29 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.280 29 G C 0.072 174.952 174.900 -0.033 0.000 1.047 29 G CA 0.566 45.650 45.100 -0.027 0.000 0.869 29 G HN 0.234 nan 8.290 nan 0.000 0.502 30 R N 0.268 120.742 120.500 -0.043 0.000 2.298 30 R HA 0.504 4.844 4.340 -0.000 0.000 0.310 30 R C 0.854 177.132 176.300 -0.037 0.000 1.068 30 R CA 0.257 56.336 56.100 -0.036 0.000 0.957 30 R CB 0.553 30.830 30.300 -0.038 0.000 1.003 30 R HN 0.275 nan 8.270 nan 0.000 0.454 31 S N 2.162 117.850 115.700 -0.020 0.000 2.564 31 S HA 0.236 4.706 4.470 -0.000 0.000 0.278 31 S C 0.886 175.485 174.600 -0.001 0.000 1.333 31 S CA -0.145 58.048 58.200 -0.011 0.000 1.048 31 S CB 1.178 64.382 63.200 0.005 0.000 0.900 31 S HN 0.806 nan 8.310 nan 0.000 0.505 32 G N 3.794 112.595 108.800 0.001 0.000 3.277 32 G HA2 0.241 4.201 3.960 -0.000 0.000 0.243 32 G HA3 0.241 4.201 3.960 -0.000 0.000 0.243 32 G C 0.102 175.032 174.900 0.050 0.000 1.107 32 G CA -0.275 44.830 45.100 0.010 0.000 0.771 32 G HN 0.611 nan 8.290 nan 0.000 0.544 33 I N 2.642 123.255 120.570 0.072 0.000 2.428 33 I HA 0.382 4.552 4.170 -0.000 0.000 0.289 33 I C 0.601 176.817 176.117 0.165 0.000 1.019 33 I CA -0.262 61.116 61.300 0.130 0.000 1.351 33 I CB 0.495 38.562 38.000 0.112 0.000 1.412 33 I HN 0.082 nan 8.210 nan 0.000 0.513 34 T N 2.669 117.377 114.554 0.256 0.000 2.883 34 T HA 0.526 4.876 4.350 -0.000 0.000 0.296 34 T C -0.543 174.307 174.700 0.251 0.000 1.117 34 T CA -0.744 61.513 62.100 0.261 0.000 1.006 34 T CB 1.800 70.837 68.868 0.281 0.000 1.191 34 T HN 0.213 nan 8.240 nan 0.000 0.508 35 F N 1.802 121.797 119.950 0.075 0.000 2.484 35 F HA 0.553 5.080 4.527 -0.000 0.000 0.360 35 F C 0.466 176.175 175.800 -0.152 0.000 1.101 35 F CA -0.147 57.840 58.000 -0.021 0.000 1.251 35 F CB 0.889 39.888 39.000 -0.003 0.000 1.132 35 F HN 0.696 nan 8.300 nan 0.000 0.570 36 S N 4.974 119.852 115.700 -1.371 0.000 2.566 36 S HA 0.198 4.668 4.470 -0.000 0.000 0.324 36 S C 0.530 174.261 174.600 -1.449 0.000 1.081 36 S CA -0.675 56.638 58.200 -1.478 0.000 1.105 36 S CB 1.274 63.078 63.200 -2.326 0.000 0.981 36 S HN 0.885 nan 8.310 nan 0.000 0.464 37 Q N 3.456 122.729 119.800 -0.879 0.000 2.119 37 Q HA -0.078 4.262 4.340 -0.000 0.000 0.201 37 Q C 1.771 177.523 176.000 -0.412 0.000 0.972 37 Q CA 2.210 57.733 55.803 -0.466 0.000 0.847 37 Q CB -0.176 28.516 28.738 -0.077 0.000 0.903 37 Q HN 0.914 nan 8.270 nan 0.000 0.433 38 E N -0.454 119.508 120.200 -0.397 0.000 2.058 38 E HA -0.206 4.144 4.350 -0.000 0.000 0.194 38 E C 1.837 178.261 176.600 -0.292 0.000 0.997 38 E CA 1.385 57.643 56.400 -0.237 0.000 0.801 38 E CB -0.200 29.482 29.700 -0.029 0.000 0.746 38 E HN 0.453 nan 8.360 nan 0.000 0.450 39 L N 0.601 121.538 121.223 -0.477 0.000 2.046 39 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 39 L C 2.877 179.572 176.870 -0.292 0.000 1.077 39 L CA 1.541 56.205 54.840 -0.292 0.000 0.747 39 L CB -0.523 41.326 42.059 -0.350 0.000 0.896 39 L HN 0.165 nan 8.230 nan 0.000 0.432 40 K N 0.258 120.355 120.400 -0.506 0.000 2.026 40 K HA -0.206 4.114 4.320 -0.000 0.000 0.208 40 K C 1.629 178.008 176.600 -0.369 0.000 1.048 40 K CA 1.832 57.730 56.287 -0.648 0.000 0.929 40 K CB 0.006 32.057 32.500 -0.749 0.000 0.713 40 K HN 0.199 nan 8.250 nan 0.000 0.439 41 D N 0.164 120.379 120.400 -0.308 0.000 2.263 41 D HA -0.119 4.521 4.640 -0.000 0.000 0.208 41 D C 1.828 177.944 176.300 -0.308 0.000 0.971 41 D CA 1.390 55.239 54.000 -0.253 0.000 0.867 41 D CB -0.083 40.587 40.800 -0.217 0.000 0.929 41 D HN 0.350 nan 8.370 nan 0.000 0.492 42 S N -1.025 114.456 115.700 -0.366 0.000 2.522 42 S HA 0.161 4.631 4.470 -0.000 0.000 0.227 42 S C 1.765 176.197 174.600 -0.279 0.000 0.986 42 S CA 0.855 58.755 58.200 -0.500 0.000 0.929 42 S CB 0.228 63.122 63.200 -0.510 0.000 0.769 42 S HN 0.309 nan 8.310 nan 0.000 0.529 43 G N 0.552 109.249 108.800 -0.171 0.000 2.176 43 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.232 43 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.232 43 G C 0.028 174.933 174.900 0.009 0.000 0.986 43 G CA 0.085 45.138 45.100 -0.078 0.000 0.643 43 G HN 0.486 nan 8.290 nan 0.000 0.522 44 M N -0.349 119.272 119.600 0.035 0.000 2.226 44 M HA 0.373 4.853 4.480 -0.000 0.000 0.324 44 M C 1.871 178.290 176.300 0.199 0.000 1.112 44 M CA 0.149 55.516 55.300 0.112 0.000 1.176 44 M CB 0.483 33.159 32.600 0.126 0.000 1.430 44 M HN 0.173 nan 8.290 nan 0.000 0.462 45 R N -0.290 120.269 120.500 0.097 0.000 2.173 45 R HA 0.093 4.433 4.340 -0.000 0.000 0.208 45 R C 0.453 176.621 176.300 -0.221 0.000 1.035 45 R CA 0.235 56.322 56.100 -0.022 0.000 1.004 45 R CB 0.242 30.524 30.300 -0.030 0.000 0.917 45 R HN 0.560 nan 8.270 nan 0.000 0.462 46 S N 0.359 116.024 115.700 -0.058 0.000 2.452 46 S HA 0.136 4.606 4.470 -0.000 0.000 0.284 46 S C -0.104 174.529 174.600 0.055 0.000 1.171 46 S CA -0.573 57.580 58.200 -0.078 0.000 1.064 46 S CB 0.360 63.543 63.200 -0.028 0.000 0.967 46 S HN 0.337 nan 8.310 nan 0.000 0.484 47 H N 2.857 121.883 119.070 -0.072 0.000 2.512 47 H HA 0.337 4.893 4.556 -0.000 0.000 0.276 47 H C -0.023 175.112 175.328 -0.322 0.000 1.126 47 H CA -0.599 55.313 56.048 -0.227 0.000 1.060 47 H CB 0.553 30.280 29.762 -0.057 0.000 1.646 47 H HN 0.455 nan 8.280 nan 0.000 0.571 48 V N -1.774 118.102 119.914 -0.063 0.000 2.914 48 V HA 0.646 4.766 4.120 -0.000 0.000 0.314 48 V C -1.379 174.786 176.094 0.118 0.000 1.084 48 V CA -0.947 61.344 62.300 -0.015 0.000 0.963 48 V CB 2.212 34.101 31.823 0.110 0.000 1.025 48 V HN 0.390 nan 8.190 nan 0.000 0.432 49 W N 0.899 122.214 121.300 0.026 0.000 3.059 49 W HA 0.806 5.466 4.660 -0.000 0.000 0.329 49 W C -0.329 176.207 176.519 0.029 0.000 1.246 49 W CA -1.685 55.677 57.345 0.029 0.000 1.190 49 W CB 0.808 30.282 29.460 0.023 0.000 1.423 49 W HN 1.038 nan 8.180 nan 0.000 0.571 50 G N 2.043 110.952 108.800 0.183 0.000 2.857 50 G HA2 0.389 4.349 3.960 -0.000 0.000 0.326 50 G HA3 0.389 4.349 3.960 -0.000 0.000 0.326 50 G C -0.434 174.344 174.900 -0.203 0.000 0.950 50 G CA -0.800 44.311 45.100 0.019 0.000 1.400 50 G HN 0.613 nan 8.290 nan 0.000 0.473 51 N N 0.186 118.681 118.700 -0.342 0.000 2.524 51 N HA 0.397 5.137 4.740 -0.000 0.000 0.283 51 N C -0.299 175.029 175.510 -0.303 0.000 1.142 51 N CA -0.886 51.834 53.050 -0.550 0.000 0.984 51 N CB 1.982 40.031 38.487 -0.729 0.000 1.155 51 N HN -0.004 nan 8.380 nan 0.000 0.467 52 V N 1.342 121.057 119.914 -0.332 0.000 2.508 52 V HA 0.034 4.154 4.120 -0.000 0.000 0.281 52 V C 0.301 176.316 176.094 -0.132 0.000 1.041 52 V CA -0.196 61.943 62.300 -0.269 0.000 1.016 52 V CB 0.444 31.998 31.823 -0.449 0.000 0.984 52 V HN 0.725 nan 8.190 nan 0.000 0.478 53 K N 5.770 126.121 120.400 -0.080 0.000 2.363 53 K HA 0.552 4.872 4.320 -0.000 0.000 0.240 53 K C -0.891 175.705 176.600 -0.006 0.000 1.169 53 K CA -0.206 56.067 56.287 -0.024 0.000 1.131 53 K CB 0.396 32.892 32.500 -0.008 0.000 1.771 53 K HN 0.438 nan 8.250 nan 0.000 0.380 54 L N 0.386 121.615 121.223 0.010 0.000 2.526 54 L HA 0.311 4.651 4.340 -0.000 0.000 0.263 54 L C -1.733 175.167 176.870 0.051 0.000 0.943 54 L CA -0.520 54.339 54.840 0.031 0.000 0.859 54 L CB 1.941 44.022 42.059 0.036 0.000 1.313 54 L HN 0.177 nan 8.230 nan 0.000 0.406 55 D N 2.351 122.776 120.400 0.042 0.000 2.365 55 D HA 0.187 4.827 4.640 -0.000 0.000 0.237 55 D C 0.855 177.180 176.300 0.040 0.000 1.190 55 D CA 0.418 54.441 54.000 0.039 0.000 0.867 55 D CB 1.489 42.306 40.800 0.029 0.000 1.050 55 D HN 0.747 nan 8.370 nan 0.000 0.491 56 T N -0.177 114.404 114.554 0.044 0.000 3.129 56 T HA 0.016 4.366 4.350 -0.000 0.000 0.251 56 T C 0.833 175.533 174.700 -0.000 0.000 1.117 56 T CA -0.200 61.921 62.100 0.035 0.000 1.034 56 T CB -0.258 68.633 68.868 0.039 0.000 0.968 56 T HN 0.210 nan 8.240 nan 0.000 0.526 57 T N 2.500 117.051 114.554 -0.004 0.000 2.871 57 T HA 0.413 4.763 4.350 -0.000 0.000 0.296 57 T C 1.515 176.202 174.700 -0.022 0.000 0.998 57 T CA 0.740 62.828 62.100 -0.021 0.000 1.162 57 T CB 0.095 68.955 68.868 -0.014 0.000 0.947 57 T HN 0.732 nan 8.240 nan 0.000 0.536 58 G N 2.687 111.463 108.800 -0.041 0.000 2.162 58 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.260 58 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.260 58 G C 0.783 175.667 174.900 -0.026 0.000 0.976 58 G CA 0.268 45.346 45.100 -0.037 0.000 0.655 58 G HN 0.698 nan 8.290 nan 0.000 0.533 59 L N -0.478 120.734 121.223 -0.019 0.000 2.492 59 L HA 0.402 4.742 4.340 -0.000 0.000 0.223 59 L C 1.126 178.000 176.870 0.008 0.000 1.132 59 L CA 0.612 55.461 54.840 0.015 0.000 0.850 59 L CB 0.034 42.121 42.059 0.047 0.000 0.966 59 L HN 0.282 nan 8.230 nan 0.000 0.454 60 I N -0.997 119.523 120.570 -0.083 0.000 2.582 60 I HA 0.175 4.345 4.170 -0.000 0.000 0.292 60 I C -0.517 175.483 176.117 -0.195 0.000 1.066 60 I CA -0.922 60.258 61.300 -0.200 0.000 1.053 60 I CB 2.286 40.015 38.000 -0.451 0.000 1.241 60 I HN -0.188 nan 8.210 nan 0.000 0.421 61 D N 3.794 124.087 120.400 -0.178 0.000 2.571 61 D HA -0.068 4.572 4.640 -0.000 0.000 0.231 61 D C 1.383 177.578 176.300 -0.175 0.000 1.133 61 D CA 0.318 54.234 54.000 -0.140 0.000 0.862 61 D CB 0.955 41.690 40.800 -0.110 0.000 1.179 61 D HN 0.342 nan 8.370 nan 0.000 0.474 62 R N 3.407 123.819 120.500 -0.146 0.000 2.113 62 R HA -0.215 4.125 4.340 -0.000 0.000 0.244 62 R C 1.782 177.957 176.300 -0.210 0.000 1.142 62 R CA 2.187 58.182 56.100 -0.175 0.000 0.953 62 R CB -0.465 29.754 30.300 -0.136 0.000 0.860 62 R HN 0.715 nan 8.270 nan 0.000 0.438 63 K N -0.612 119.702 120.400 -0.143 0.000 2.360 63 K HA -0.040 4.280 4.320 -0.000 0.000 0.201 63 K C 1.805 178.381 176.600 -0.039 0.000 1.046 63 K CA 1.404 57.632 56.287 -0.097 0.000 0.945 63 K CB -0.023 32.466 32.500 -0.017 0.000 0.750 63 K HN 0.016 nan 8.250 nan 0.000 0.464 64 V N 0.713 120.563 119.914 -0.108 0.000 2.436 64 V HA -0.105 4.015 4.120 -0.000 0.000 0.240 64 V C 2.077 178.068 176.094 -0.171 0.000 1.040 64 V CA 0.775 63.016 62.300 -0.098 0.000 1.052 64 V CB 0.464 32.133 31.823 -0.257 0.000 0.707 64 V HN 0.221 nan 8.190 nan 0.000 0.469 65 V N 2.413 122.145 119.914 -0.303 0.000 2.913 65 V HA -0.193 3.927 4.120 -0.000 0.000 0.260 65 V C 2.742 178.612 176.094 -0.374 0.000 1.098 65 V CA 2.067 64.168 62.300 -0.331 0.000 1.121 65 V CB -0.682 30.949 31.823 -0.319 0.000 0.714 65 V HN 0.707 nan 8.190 nan 0.000 0.487 66 R N -0.948 119.246 120.500 -0.509 0.000 2.193 66 R HA -0.131 4.209 4.340 -0.000 0.000 0.229 66 R C 1.744 177.486 176.300 -0.930 0.000 1.110 66 R CA 2.088 57.670 56.100 -0.864 0.000 0.988 66 R CB -0.680 28.861 30.300 -1.264 0.000 0.871 66 R HN 0.519 nan 8.270 nan 0.000 0.458 67 F N 0.849 120.572 119.950 -0.378 0.000 2.749 67 F HA 0.349 4.876 4.527 -0.000 0.000 0.300 67 F C 0.838 176.487 175.800 -0.252 0.000 1.103 67 F CA -0.402 57.465 58.000 -0.222 0.000 1.342 67 F CB 0.244 39.180 39.000 -0.107 0.000 1.098 67 F HN -0.126 nan 8.300 nan 0.000 0.586 68 M N 0.040 119.534 119.600 -0.176 0.000 2.367 68 M HA 0.339 4.819 4.480 -0.000 0.000 0.339 68 M C 0.403 176.500 176.300 -0.339 0.000 1.177 68 M CA -0.647 54.528 55.300 -0.209 0.000 1.068 68 M CB 1.566 34.051 32.600 -0.193 0.000 1.602 68 M HN -0.020 nan 8.290 nan 0.000 0.457 69 S N -0.330 115.221 115.700 -0.249 0.000 2.745 69 S HA 0.331 4.801 4.470 -0.000 0.000 0.292 69 S C 0.319 174.837 174.600 -0.136 0.000 1.133 69 S CA -0.783 57.317 58.200 -0.166 0.000 0.998 69 S CB 1.105 64.302 63.200 -0.005 0.000 1.087 69 S HN 0.671 nan 8.310 nan 0.000 0.551 70 D N 1.040 121.373 120.400 -0.112 0.000 2.149 70 D HA -0.045 4.595 4.640 -0.000 0.000 0.198 70 D C 2.180 178.156 176.300 -0.539 0.000 0.990 70 D CA 1.775 55.521 54.000 -0.422 0.000 0.839 70 D CB -0.850 39.709 40.800 -0.402 0.000 0.948 70 D HN 0.677 nan 8.370 nan 0.000 0.460 71 A N 0.413 123.123 122.820 -0.183 0.000 1.908 71 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 71 A C 2.450 180.024 177.584 -0.017 0.000 1.181 71 A CA 2.014 54.037 52.037 -0.023 0.000 0.627 71 A CB -0.591 18.435 19.000 0.042 0.000 0.818 71 A HN 0.183 nan 8.150 nan 0.000 0.445 72 S N -0.346 115.327 115.700 -0.045 0.000 2.383 72 S HA -0.058 4.412 4.470 -0.000 0.000 0.227 72 S C 1.796 176.409 174.600 0.023 0.000 1.026 72 S CA 1.268 59.473 58.200 0.008 0.000 0.981 72 S CB -0.454 62.739 63.200 -0.012 0.000 0.818 72 S HN 0.538 nan 8.310 nan 0.000 0.472 73 I N 0.449 120.948 120.570 -0.118 0.000 2.179 73 I HA -0.221 3.949 4.170 -0.000 0.000 0.242 73 I C 2.060 178.220 176.117 0.072 0.000 1.088 73 I CA 1.378 62.618 61.300 -0.100 0.000 1.357 73 I CB -0.458 37.384 38.000 -0.264 0.000 1.051 73 I HN 0.264 nan 8.210 nan 0.000 0.409 74 Y N 0.864 121.199 120.300 0.058 0.000 2.181 74 Y HA -0.200 4.350 4.550 -0.000 0.000 0.288 74 Y C 2.673 178.606 175.900 0.055 0.000 1.146 74 Y CA 0.817 58.943 58.100 0.042 0.000 1.164 74 Y CB -1.374 37.087 38.460 0.001 0.000 0.982 74 Y HN 0.129 nan 8.280 nan 0.000 0.515 75 A N -0.456 122.495 122.820 0.217 0.000 1.898 75 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 75 A C 2.204 179.870 177.584 0.137 0.000 1.181 75 A CA 1.337 53.451 52.037 0.129 0.000 0.620 75 A CB -1.341 17.718 19.000 0.098 0.000 0.819 75 A HN 0.440 nan 8.150 nan 0.000 0.442 76 F N 0.665 120.661 119.950 0.076 0.000 2.102 76 F HA -0.161 4.366 4.527 -0.000 0.000 0.298 76 F C 1.944 177.825 175.800 0.135 0.000 1.105 76 F CA 1.868 59.955 58.000 0.144 0.000 1.239 76 F CB -0.200 38.861 39.000 0.101 0.000 0.991 76 F HN 0.140 nan 8.300 nan 0.000 0.474 77 L N -0.730 120.690 121.223 0.329 0.000 2.083 77 L HA -0.232 4.108 4.340 -0.000 0.000 0.209 77 L C 2.509 179.404 176.870 0.042 0.000 1.083 77 L CA 1.383 56.343 54.840 0.200 0.000 0.752 77 L CB -0.954 41.234 42.059 0.216 0.000 0.899 77 L HN 0.093 nan 8.230 nan 0.000 0.433 78 S N -0.337 115.380 115.700 0.029 0.000 2.368 78 S HA -0.219 4.251 4.470 -0.000 0.000 0.225 78 S C 1.935 176.456 174.600 -0.132 0.000 1.030 78 S CA 1.575 59.752 58.200 -0.038 0.000 0.999 78 S CB -0.226 62.956 63.200 -0.030 0.000 0.844 78 S HN 0.358 nan 8.310 nan 0.000 0.459 79 M N 1.394 120.856 119.600 -0.229 0.000 2.175 79 M HA -0.103 4.377 4.480 -0.000 0.000 0.264 79 M C 1.928 177.918 176.300 -0.516 0.000 1.063 79 M CA 1.408 56.419 55.300 -0.480 0.000 1.119 79 M CB -0.142 31.970 32.600 -0.813 0.000 1.377 79 M HN 0.244 nan 8.290 nan 0.000 0.415 80 E N -0.186 119.808 120.200 -0.343 0.000 2.077 80 E HA -0.256 4.094 4.350 -0.000 0.000 0.193 80 E C 2.042 178.569 176.600 -0.122 0.000 0.989 80 E CA 1.560 57.850 56.400 -0.183 0.000 0.800 80 E CB -0.172 29.491 29.700 -0.062 0.000 0.746 80 E HN 0.682 nan 8.360 nan 0.000 0.452 81 Q N 0.154 119.899 119.800 -0.091 0.000 2.050 81 Q HA -0.152 4.188 4.340 -0.000 0.000 0.202 81 Q C 2.247 178.217 176.000 -0.050 0.000 0.980 81 Q CA 1.371 57.146 55.803 -0.046 0.000 0.840 81 Q CB -0.178 28.543 28.738 -0.028 0.000 0.898 81 Q HN 0.226 nan 8.270 nan 0.000 0.424 82 A N 0.801 123.568 122.820 -0.088 0.000 1.933 82 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 82 A C 2.026 179.594 177.584 -0.028 0.000 1.175 82 A CA 1.113 53.121 52.037 -0.048 0.000 0.628 82 A CB -0.596 18.371 19.000 -0.055 0.000 0.814 82 A HN 0.301 nan 8.150 nan 0.000 0.444 83 I N -0.364 120.130 120.570 -0.125 0.000 2.179 83 I HA -0.273 3.897 4.170 -0.000 0.000 0.242 83 I C 2.988 179.095 176.117 -0.017 0.000 1.088 83 I CA 1.080 62.309 61.300 -0.118 0.000 1.357 83 I CB -0.329 37.474 38.000 -0.328 0.000 1.051 83 I HN 0.360 nan 8.210 nan 0.000 0.409 84 A N 0.282 123.094 122.820 -0.013 0.000 1.902 84 A HA -0.295 4.025 4.320 -0.000 0.000 0.217 84 A C 2.000 179.602 177.584 0.031 0.000 1.181 84 A CA 2.292 54.342 52.037 0.021 0.000 0.623 84 A CB -0.731 18.280 19.000 0.018 0.000 0.818 84 A HN 0.441 nan 8.150 nan 0.000 0.443 85 D N -0.179 120.242 120.400 0.036 0.000 2.144 85 D HA -0.024 4.616 4.640 -0.000 0.000 0.199 85 D C 1.859 178.210 176.300 0.084 0.000 0.984 85 D CA 1.502 55.541 54.000 0.065 0.000 0.834 85 D CB -0.174 40.690 40.800 0.107 0.000 0.955 85 D HN 0.338 nan 8.370 nan 0.000 0.465 86 A N -0.744 122.127 122.820 0.085 0.000 2.167 86 A HA 0.361 4.681 4.320 -0.000 0.000 0.214 86 A C 1.841 179.468 177.584 0.072 0.000 1.151 86 A CA 1.122 53.213 52.037 0.090 0.000 0.735 86 A CB -0.602 18.439 19.000 0.069 0.000 0.802 86 A HN 0.487 nan 8.150 nan 0.000 0.467 87 G N -0.978 107.859 108.800 0.063 0.000 2.198 87 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.257 87 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.257 87 G C -0.062 174.891 174.900 0.089 0.000 1.042 87 G CA 0.337 45.474 45.100 0.062 0.000 0.791 87 G HN 0.459 nan 8.290 nan 0.000 0.502 88 L N 1.693 122.986 121.223 0.117 0.000 2.265 88 L HA 0.522 4.862 4.340 -0.000 0.000 0.288 88 L C 1.171 178.205 176.870 0.273 0.000 1.058 88 L CA -0.198 54.761 54.840 0.199 0.000 0.809 88 L CB 1.437 43.632 42.059 0.227 0.000 1.179 88 L HN 0.419 nan 8.230 nan 0.000 0.429 89 S N 2.461 118.298 115.700 0.228 0.000 2.646 89 S HA 0.412 4.882 4.470 -0.000 0.000 0.276 89 S C -2.003 172.672 174.600 0.124 0.000 1.222 89 S CA -1.344 56.958 58.200 0.170 0.000 1.014 89 S CB 1.576 64.824 63.200 0.080 0.000 0.991 89 S HN 0.346 nan 8.310 nan 0.000 0.533 90 P HA -0.109 nan 4.420 nan 0.000 0.216 90 P C 0.881 177.971 177.300 -0.350 0.000 1.150 90 P CA 1.286 64.151 63.100 -0.392 0.000 0.843 90 P CB -0.041 31.546 31.700 -0.189 0.000 0.787 91 E N -0.747 119.366 120.200 -0.144 0.000 2.265 91 E HA -0.118 4.232 4.350 -0.000 0.000 0.196 91 E C 1.972 178.531 176.600 -0.070 0.000 0.996 91 E CA 1.358 57.699 56.400 -0.098 0.000 0.832 91 E CB -0.712 28.962 29.700 -0.043 0.000 0.756 91 E HN 0.233 nan 8.360 nan 0.000 0.491 92 A N 0.117 122.921 122.820 -0.027 0.000 1.911 92 A HA -0.051 4.269 4.320 -0.000 0.000 0.212 92 A C 1.854 179.506 177.584 0.113 0.000 1.189 92 A CA 1.018 53.097 52.037 0.070 0.000 0.639 92 A CB -0.368 18.720 19.000 0.146 0.000 0.839 92 A HN 0.483 nan 8.150 nan 0.000 0.449 93 Y N -1.017 119.331 120.300 0.081 0.000 2.462 93 Y HA 0.440 4.990 4.550 -0.000 0.000 0.253 93 Y C 0.748 176.687 175.900 0.065 0.000 1.095 93 Y CA -0.583 57.580 58.100 0.105 0.000 1.283 93 Y CB -0.255 38.342 38.460 0.229 0.000 1.138 93 Y HN 0.193 nan 8.280 nan 0.000 0.522 94 Q N 1.562 121.043 119.800 -0.531 0.000 2.299 94 Q HA 0.154 4.494 4.340 -0.000 0.000 0.246 94 Q C -0.352 175.466 176.000 -0.304 0.000 0.935 94 Q CA -0.367 55.207 55.803 -0.382 0.000 0.887 94 Q CB 0.577 29.036 28.738 -0.465 0.000 1.223 94 Q HN 0.382 nan 8.270 nan 0.000 0.439 95 N N 1.517 119.918 118.700 -0.497 0.000 2.716 95 N HA -0.202 4.538 4.740 -0.000 0.000 0.250 95 N C -1.359 173.946 175.510 -0.342 0.000 1.033 95 N CA 0.710 53.234 53.050 -0.877 0.000 0.727 95 N CB -0.876 37.346 38.487 -0.442 0.000 0.950 95 N HN 0.448 nan 8.380 nan 0.000 0.541 96 N N -0.430 118.171 118.700 -0.165 0.000 2.483 96 N HA 0.358 5.098 4.740 -0.000 0.000 0.267 96 N C -2.095 173.474 175.510 0.098 0.000 0.998 96 N CA -2.133 50.925 53.050 0.012 0.000 0.918 96 N CB 1.531 40.034 38.487 0.028 0.000 1.215 96 N HN -0.147 nan 8.380 nan 0.000 0.500 97 P HA -0.020 nan 4.420 nan 0.000 0.223 97 P C 0.671 178.013 177.300 0.068 0.000 1.144 97 P CA 0.899 64.074 63.100 0.124 0.000 0.783 97 P CB 0.382 32.138 31.700 0.095 0.000 0.771 98 R N -1.004 119.521 120.500 0.042 0.000 2.334 98 R HA 0.191 4.531 4.340 -0.000 0.000 0.220 98 R C -0.066 176.212 176.300 -0.037 0.000 0.917 98 R CA 0.104 56.202 56.100 -0.004 0.000 1.073 98 R CB -0.079 30.210 30.300 -0.018 0.000 1.056 98 R HN 0.147 nan 8.270 nan 0.000 0.506 99 V N 0.320 120.242 119.914 0.013 0.000 2.444 99 V HA 0.615 4.735 4.120 -0.000 0.000 0.294 99 V C 0.461 176.592 176.094 0.061 0.000 1.022 99 V CA -0.784 61.525 62.300 0.014 0.000 0.850 99 V CB 1.726 33.620 31.823 0.118 0.000 0.992 99 V HN 0.277 nan 8.190 nan 0.000 0.426 100 G N 3.220 112.022 108.800 0.005 0.000 3.013 100 G HA2 0.805 4.765 3.960 -0.000 0.000 0.278 100 G HA3 0.805 4.765 3.960 -0.000 0.000 0.278 100 G C -1.796 173.132 174.900 0.047 0.000 1.353 100 G CA -0.745 44.362 45.100 0.013 0.000 1.043 100 G HN 0.659 nan 8.290 nan 0.000 0.523 101 L N -0.378 120.827 121.223 -0.030 0.000 2.505 101 L HA 0.711 5.051 4.340 -0.000 0.000 0.266 101 L C -1.428 175.335 176.870 -0.179 0.000 0.954 101 L CA -0.491 54.334 54.840 -0.025 0.000 0.852 101 L CB 1.717 43.788 42.059 0.020 0.000 1.282 101 L HN 0.436 nan 8.230 nan 0.000 0.403 102 I N 5.336 125.806 120.570 -0.167 0.000 2.476 102 I HA 0.811 4.981 4.170 -0.000 0.000 0.281 102 I C -0.544 175.525 176.117 -0.079 0.000 1.040 102 I CA -0.418 60.752 61.300 -0.217 0.000 1.094 102 I CB 1.668 39.520 38.000 -0.247 0.000 1.219 102 I HN 0.796 nan 8.210 nan 0.000 0.450 103 A N 4.283 127.083 122.820 -0.033 0.000 2.547 103 A HA 0.955 5.275 4.320 -0.000 0.000 0.297 103 A C -0.686 176.918 177.584 0.034 0.000 1.056 103 A CA -0.398 51.638 52.037 -0.001 0.000 0.688 103 A CB 1.890 20.885 19.000 -0.008 0.000 1.282 103 A HN 0.764 nan 8.150 nan 0.000 0.400 104 G N -0.242 108.583 108.800 0.041 0.000 2.827 104 G HA2 0.839 4.799 3.960 -0.000 0.000 0.296 104 G HA3 0.839 4.799 3.960 -0.000 0.000 0.296 104 G C -0.543 174.387 174.900 0.050 0.000 1.362 104 G CA 0.189 45.324 45.100 0.058 0.000 0.809 104 G HN 1.895 nan 8.290 nan 0.000 0.522 105 S N -2.004 113.732 115.700 0.059 0.000 2.627 105 S HA 0.664 5.134 4.470 -0.000 0.000 0.283 105 S C 0.978 175.618 174.600 0.066 0.000 1.127 105 S CA 0.234 58.467 58.200 0.055 0.000 0.863 105 S CB 1.564 64.802 63.200 0.062 0.000 1.121 105 S HN 1.484 nan 8.310 nan 0.000 0.479 106 G N -0.148 108.690 108.800 0.064 0.000 2.430 106 G HA2 0.341 4.301 3.960 -0.000 0.000 0.216 106 G HA3 0.341 4.301 3.960 -0.000 0.000 0.216 106 G C 0.819 175.791 174.900 0.120 0.000 1.146 106 G CA 0.358 45.513 45.100 0.090 0.000 0.793 106 G HN 1.266 nan 8.290 nan 0.000 0.537 107 G N -1.252 107.619 108.800 0.119 0.000 3.829 107 G HA2 0.481 4.441 3.960 -0.000 0.000 0.279 107 G HA3 0.481 4.441 3.960 -0.000 0.000 0.279 107 G C 0.991 175.949 174.900 0.096 0.000 1.008 107 G CA 0.785 45.958 45.100 0.121 0.000 0.840 107 G HN 1.052 nan 8.290 nan 0.000 0.474 108 G N 0.586 109.438 108.800 0.087 0.000 2.620 108 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.315 108 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.315 108 G C 0.454 175.407 174.900 0.088 0.000 1.179 108 G CA 0.818 45.966 45.100 0.080 0.000 0.971 108 G HN 1.511 nan 8.290 nan 0.000 0.544 109 S N 1.401 117.162 115.700 0.100 0.000 2.383 109 S HA 0.639 5.109 4.470 -0.000 0.000 0.196 109 S C -1.405 173.256 174.600 0.102 0.000 1.364 109 S CA 0.078 58.353 58.200 0.126 0.000 1.212 109 S CB 1.720 65.049 63.200 0.216 0.000 1.171 109 S HN 0.268 nan 8.310 nan 0.000 0.456 110 P HA -0.094 nan 4.420 nan 0.000 0.218 110 P C 1.513 178.770 177.300 -0.073 0.000 1.148 110 P CA 0.648 63.741 63.100 -0.012 0.000 0.822 110 P CB 0.138 31.814 31.700 -0.040 0.000 0.784 111 R N -0.837 119.596 120.500 -0.111 0.000 2.083 111 R HA -0.132 4.208 4.340 -0.000 0.000 0.237 111 R C 1.852 178.015 176.300 -0.227 0.000 1.137 111 R CA 1.743 57.696 56.100 -0.246 0.000 0.951 111 R CB -0.953 29.153 30.300 -0.323 0.000 0.851 111 R HN 0.104 nan 8.270 nan 0.000 0.434 112 F N 0.319 120.285 119.950 0.027 0.000 2.456 112 F HA -0.005 4.522 4.527 -0.000 0.000 0.298 112 F C 2.518 178.414 175.800 0.161 0.000 1.104 112 F CA 0.744 58.810 58.000 0.111 0.000 1.435 112 F CB -0.099 38.929 39.000 0.048 0.000 1.078 112 F HN 0.172 nan 8.300 nan 0.000 0.546 113 Q N 0.641 120.568 119.800 0.213 0.000 2.079 113 Q HA -0.115 4.225 4.340 -0.000 0.000 0.200 113 Q C 2.102 178.160 176.000 0.097 0.000 0.974 113 Q CA 1.792 57.680 55.803 0.143 0.000 0.840 113 Q CB -0.609 28.181 28.738 0.087 0.000 0.898 113 Q HN 0.252 nan 8.270 nan 0.000 0.430 114 V N 0.706 120.649 119.914 0.048 0.000 2.427 114 V HA -0.167 3.953 4.120 -0.000 0.000 0.248 114 V C 2.013 178.136 176.094 0.049 0.000 1.051 114 V CA 1.666 63.976 62.300 0.016 0.000 1.048 114 V CB -0.800 30.985 31.823 -0.063 0.000 0.666 114 V HN 0.441 nan 8.190 nan 0.000 0.456 115 F N 2.195 122.115 119.950 -0.050 0.000 2.102 115 F HA -0.052 4.475 4.527 0.000 0.000 0.298 115 F C 2.173 177.996 175.800 0.040 0.000 1.105 115 F CA 1.778 59.763 58.000 -0.026 0.000 1.239 115 F CB -0.898 38.054 39.000 -0.080 0.000 0.991 115 F HN 0.132 nan 8.300 nan 0.000 0.474 116 G N -0.133 108.683 108.800 0.027 0.000 2.446 116 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.217 116 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.217 116 G C 1.818 176.637 174.900 -0.134 0.000 1.168 116 G CA 0.969 46.028 45.100 -0.067 0.000 0.771 116 G HN 0.646 nan 8.290 nan 0.000 0.551 117 A N 0.898 123.681 122.820 -0.061 0.000 1.898 117 A HA -0.023 4.297 4.320 -0.000 0.000 0.216 117 A C 2.112 179.645 177.584 -0.085 0.000 1.181 117 A CA 2.105 54.112 52.037 -0.051 0.000 0.620 117 A CB -0.407 18.586 19.000 -0.011 0.000 0.819 117 A HN 0.277 nan 8.150 nan 0.000 0.442 118 D N 0.141 120.475 120.400 -0.111 0.000 2.097 118 D HA -0.051 4.589 4.640 -0.000 0.000 0.195 118 D C 2.251 178.448 176.300 -0.172 0.000 0.989 118 D CA 1.623 55.559 54.000 -0.107 0.000 0.827 118 D CB -0.452 40.304 40.800 -0.073 0.000 0.966 118 D HN 0.407 nan 8.370 nan 0.000 0.456 119 A N 0.546 123.163 122.820 -0.338 0.000 1.902 119 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 119 A C 2.135 179.611 177.584 -0.180 0.000 1.181 119 A CA 1.703 53.539 52.037 -0.335 0.000 0.623 119 A CB -0.549 18.082 19.000 -0.616 0.000 0.818 119 A HN 0.165 nan 8.150 nan 0.000 0.443 120 M N -0.024 119.484 119.600 -0.153 0.000 2.202 120 M HA -0.086 4.394 4.480 -0.000 0.000 0.262 120 M C 1.826 178.091 176.300 -0.059 0.000 1.063 120 M CA 1.502 56.751 55.300 -0.084 0.000 1.097 120 M CB -0.452 32.112 32.600 -0.060 0.000 1.382 120 M HN 0.366 nan 8.290 nan 0.000 0.413 121 R N -0.137 120.327 120.500 -0.060 0.000 2.299 121 R HA 0.181 4.521 4.340 -0.000 0.000 0.197 121 R C 1.086 177.366 176.300 -0.034 0.000 0.971 121 R CA 0.332 56.409 56.100 -0.037 0.000 1.030 121 R CB -0.409 29.874 30.300 -0.028 0.000 0.932 121 R HN 0.472 nan 8.270 nan 0.000 0.477 122 G N 0.914 109.686 108.800 -0.046 0.000 2.557 122 G HA2 0.158 4.118 3.960 -0.000 0.000 0.292 122 G HA3 0.158 4.118 3.960 -0.000 0.000 0.292 122 G C -1.780 173.105 174.900 -0.025 0.000 1.237 122 G CA -1.064 44.015 45.100 -0.034 0.000 0.978 122 G HN -0.131 nan 8.290 nan 0.000 0.498 123 P HA -0.013 nan 4.420 nan 0.000 0.218 123 P C 1.803 179.096 177.300 -0.011 0.000 1.149 123 P CA 0.824 63.917 63.100 -0.011 0.000 0.817 123 P CB 0.202 31.899 31.700 -0.006 0.000 0.785 124 R N -1.249 119.243 120.500 -0.014 0.000 2.236 124 R HA 0.150 4.490 4.340 -0.000 0.000 0.208 124 R C 1.637 177.927 176.300 -0.017 0.000 1.036 124 R CA 0.625 56.719 56.100 -0.011 0.000 1.001 124 R CB -0.732 29.565 30.300 -0.005 0.000 0.896 124 R HN 0.171 nan 8.270 nan 0.000 0.464 125 G N 1.687 110.470 108.800 -0.027 0.000 2.634 125 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.309 125 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.309 125 G C 0.809 175.691 174.900 -0.031 0.000 1.265 125 G CA 0.455 45.537 45.100 -0.030 0.000 0.998 125 G HN 0.226 nan 8.290 nan 0.000 0.551 126 L N 0.567 121.778 121.223 -0.021 0.000 2.129 126 L HA -0.138 4.202 4.340 -0.000 0.000 0.212 126 L C 3.008 179.873 176.870 -0.009 0.000 1.087 126 L CA 2.315 57.146 54.840 -0.015 0.000 0.757 126 L CB -0.516 41.536 42.059 -0.012 0.000 0.896 126 L HN 0.555 nan 8.230 nan 0.000 0.434 127 K N -0.020 120.376 120.400 -0.006 0.000 2.147 127 K HA -0.117 4.203 4.320 -0.000 0.000 0.205 127 K C 2.183 178.795 176.600 0.019 0.000 1.049 127 K CA 1.298 57.588 56.287 0.004 0.000 0.936 127 K CB -0.217 32.286 32.500 0.004 0.000 0.722 127 K HN 0.313 nan 8.250 nan 0.000 0.446 128 A N 0.905 123.727 122.820 0.003 0.000 2.016 128 A HA -0.035 4.285 4.320 -0.000 0.000 0.217 128 A C 2.293 179.885 177.584 0.013 0.000 1.162 128 A CA 0.760 52.801 52.037 0.006 0.000 0.662 128 A CB -0.260 18.710 19.000 -0.049 0.000 0.812 128 A HN 0.037 nan 8.150 nan 0.000 0.450 129 V N -0.482 119.425 119.914 -0.012 0.000 2.307 129 V HA 0.227 4.347 4.120 -0.000 0.000 0.245 129 V C 1.598 177.802 176.094 0.184 0.000 1.045 129 V CA 1.200 63.520 62.300 0.032 0.000 1.024 129 V CB -1.840 29.986 31.823 0.005 0.000 0.651 129 V HN 1.212 nan 8.190 nan 0.000 0.449 130 G N 0.603 109.458 108.800 0.092 0.000 2.746 130 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.685 130 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.685 130 G C -1.887 172.991 174.900 -0.036 0.000 1.350 130 G CA -0.099 45.032 45.100 0.053 0.000 0.837 130 G HN 0.315 nan 8.290 nan 0.000 0.564 131 P HA 0.258 nan 4.420 nan 0.000 0.258 131 P C 0.068 177.143 177.300 -0.376 0.000 1.416 131 P CA 0.492 63.403 63.100 -0.315 0.000 0.927 131 P CB -0.010 31.448 31.700 -0.403 0.000 1.444 132 Y N -1.553 118.752 120.300 0.010 0.000 2.481 132 Y HA 0.101 4.651 4.550 -0.000 0.000 0.247 132 Y C 2.259 178.148 175.900 -0.019 0.000 1.151 132 Y CA -0.115 57.962 58.100 -0.037 0.000 1.238 132 Y CB -0.318 38.017 38.460 -0.209 0.000 1.179 132 Y HN -0.270 nan 8.280 nan 0.000 0.524 133 V N -1.054 118.958 119.914 0.164 0.000 2.427 133 V HA -0.239 3.881 4.120 -0.000 0.000 0.248 133 V C 2.130 178.297 176.094 0.121 0.000 1.051 133 V CA 1.610 64.010 62.300 0.167 0.000 1.048 133 V CB -0.807 31.166 31.823 0.252 0.000 0.666 133 V HN 0.211 nan 8.190 nan 0.000 0.456 134 V N 1.246 121.227 119.914 0.110 0.000 2.231 134 V HA -0.317 3.803 4.120 -0.000 0.000 0.248 134 V C 2.822 178.965 176.094 0.083 0.000 1.054 134 V CA 2.793 65.147 62.300 0.090 0.000 1.015 134 V CB -1.508 30.360 31.823 0.075 0.000 0.638 134 V HN 0.811 nan 8.190 nan 0.000 0.444 135 T N -1.993 112.626 114.554 0.109 0.000 2.962 135 T HA -0.169 4.181 4.350 -0.000 0.000 0.270 135 T C 1.701 176.423 174.700 0.036 0.000 1.088 135 T CA 1.365 63.518 62.100 0.087 0.000 1.127 135 T CB -0.266 68.698 68.868 0.160 0.000 0.883 135 T HN 0.504 nan 8.240 nan 0.000 0.493 136 K N 0.978 121.370 120.400 -0.012 0.000 2.098 136 K HA 0.348 4.668 4.320 -0.000 0.000 0.203 136 K C 2.678 179.285 176.600 0.012 0.000 1.051 136 K CA 0.926 57.138 56.287 -0.125 0.000 0.957 136 K CB -0.152 32.065 32.500 -0.472 0.000 0.738 136 K HN 0.409 nan 8.250 nan 0.000 0.447 137 A N 1.950 124.817 122.820 0.079 0.000 2.030 137 A HA 0.068 4.388 4.320 -0.000 0.000 0.215 137 A C 1.258 178.893 177.584 0.085 0.000 1.164 137 A CA -0.031 52.076 52.037 0.118 0.000 0.697 137 A CB -0.437 18.651 19.000 0.146 0.000 0.827 137 A HN 0.324 nan 8.150 nan 0.000 0.457 138 M N -1.549 118.092 119.600 0.068 0.000 2.252 138 M HA 0.434 4.914 4.480 -0.000 0.000 0.329 138 M C 0.936 177.271 176.300 0.059 0.000 1.101 138 M CA 0.473 55.809 55.300 0.059 0.000 1.117 138 M CB 0.425 33.055 32.600 0.050 0.000 1.563 138 M HN 0.062 nan 8.290 nan 0.000 0.445 139 A N 2.011 124.866 122.820 0.058 0.000 2.070 139 A HA -0.090 4.230 4.320 -0.000 0.000 0.220 139 A C 2.038 179.660 177.584 0.064 0.000 1.159 139 A CA 1.756 53.830 52.037 0.062 0.000 0.656 139 A CB -0.886 18.151 19.000 0.060 0.000 0.800 139 A HN 1.010 nan 8.150 nan 0.000 0.453 140 S N -1.065 114.671 115.700 0.060 0.000 2.605 140 S HA 0.275 4.745 4.470 -0.000 0.000 0.217 140 S C 1.693 176.326 174.600 0.055 0.000 0.958 140 S CA 0.598 58.838 58.200 0.066 0.000 0.919 140 S CB -0.340 62.901 63.200 0.068 0.000 0.780 140 S HN 0.566 nan 8.310 nan 0.000 0.507 141 G N 2.357 111.186 108.800 0.048 0.000 2.513 141 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.219 141 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.219 141 G C 1.319 176.243 174.900 0.040 0.000 1.160 141 G CA 1.338 46.460 45.100 0.036 0.000 0.767 141 G HN 0.481 nan 8.290 nan 0.000 0.571 142 V N 1.742 121.685 119.914 0.048 0.000 2.332 142 V HA -0.224 3.896 4.120 -0.000 0.000 0.248 142 V C 3.273 179.404 176.094 0.063 0.000 1.055 142 V CA 2.541 64.876 62.300 0.057 0.000 1.038 142 V CB -0.574 31.282 31.823 0.055 0.000 0.651 142 V HN 0.651 nan 8.190 nan 0.000 0.450 143 S N 0.788 116.521 115.700 0.055 0.000 2.377 143 S HA -0.043 4.427 4.470 -0.000 0.000 0.223 143 S C 2.143 176.776 174.600 0.054 0.000 1.030 143 S CA 1.074 59.302 58.200 0.047 0.000 0.970 143 S CB -0.510 62.714 63.200 0.041 0.000 0.830 143 S HN 0.543 nan 8.310 nan 0.000 0.473 144 A N 1.020 123.868 122.820 0.046 0.000 1.877 144 A HA -0.083 4.237 4.320 -0.000 0.000 0.216 144 A C 2.413 180.008 177.584 0.018 0.000 1.186 144 A CA 1.608 53.659 52.037 0.023 0.000 0.620 144 A CB -1.541 17.461 19.000 0.004 0.000 0.822 144 A HN 0.700 nan 8.150 nan 0.000 0.443 145 C N -1.281 118.040 119.300 0.035 0.000 2.437 145 C HA 0.113 4.573 4.460 -0.000 0.000 0.283 145 C C 2.333 177.407 174.990 0.140 0.000 1.424 145 C CA 0.767 59.813 59.018 0.046 0.000 1.782 145 C CB -1.289 26.474 27.740 0.039 0.000 1.833 145 C HN 0.535 nan 8.230 nan 0.000 0.532 146 L N 0.407 121.744 121.223 0.190 0.000 2.362 146 L HA 0.252 4.592 4.340 -0.000 0.000 0.204 146 L C 2.646 179.703 176.870 0.311 0.000 1.060 146 L CA 1.578 56.624 54.840 0.345 0.000 0.827 146 L CB -1.160 41.054 42.059 0.259 0.000 1.027 146 L HN 0.154 nan 8.230 nan 0.000 0.474 147 A N -0.862 122.058 122.820 0.167 0.000 1.940 147 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 147 A C 2.302 179.972 177.584 0.143 0.000 1.176 147 A CA 2.440 54.564 52.037 0.145 0.000 0.631 147 A CB -0.976 18.077 19.000 0.089 0.000 0.814 147 A HN 0.416 nan 8.150 nan 0.000 0.446 148 T N 0.422 115.029 114.554 0.089 0.000 2.668 148 T HA -0.068 4.282 4.350 -0.000 0.000 0.262 148 T C -0.020 174.703 174.700 0.038 0.000 1.045 148 T CA 1.642 63.766 62.100 0.041 0.000 1.152 148 T CB -1.081 67.762 68.868 -0.041 0.000 0.864 148 T HN 0.521 nan 8.240 nan 0.000 0.419 149 P HA -0.010 nan 4.420 nan 0.000 0.219 149 P C 0.847 178.064 177.300 -0.139 0.000 1.150 149 P CA 1.092 64.147 63.100 -0.075 0.000 0.814 149 P CB -0.271 31.376 31.700 -0.087 0.000 0.787 150 F N 0.416 120.416 119.950 0.083 0.000 2.773 150 F HA 0.188 4.715 4.527 -0.000 0.000 0.304 150 F C 0.962 176.813 175.800 0.085 0.000 1.129 150 F CA -0.031 58.016 58.000 0.077 0.000 1.378 150 F CB -0.451 38.522 39.000 -0.045 0.000 1.095 150 F HN -0.208 nan 8.300 nan 0.000 0.565 151 K N 0.887 121.384 120.400 0.160 0.000 3.148 151 K HA -0.198 4.122 4.320 -0.000 0.000 0.267 151 K C -0.478 176.169 176.600 0.078 0.000 0.996 151 K CA 0.003 56.335 56.287 0.075 0.000 0.737 151 K CB -1.691 30.783 32.500 -0.044 0.000 1.308 151 K HN 0.151 nan 8.250 nan 0.000 0.470 152 I N 1.048 121.729 120.570 0.185 0.000 2.496 152 I HA 0.002 4.172 4.170 -0.000 0.000 0.285 152 I C 1.744 178.031 176.117 0.283 0.000 1.080 152 I CA 0.512 61.933 61.300 0.201 0.000 1.404 152 I CB 0.601 38.712 38.000 0.184 0.000 1.403 152 I HN 0.279 nan 8.210 nan 0.000 0.539 153 H N 3.224 122.341 119.070 0.079 0.000 2.874 153 H HA 0.177 4.733 4.556 -0.000 0.000 0.264 153 H C 1.355 176.707 175.328 0.041 0.000 1.007 153 H CA -0.004 56.075 56.048 0.050 0.000 1.207 153 H CB 1.371 31.157 29.762 0.041 0.000 1.487 153 H HN 0.772 nan 8.280 nan 0.000 0.505 154 G N 1.052 109.947 108.800 0.159 0.000 2.783 154 G HA2 0.214 4.174 3.960 -0.000 0.000 0.182 154 G HA3 0.214 4.174 3.960 -0.000 0.000 0.182 154 G C 0.127 175.057 174.900 0.049 0.000 1.516 154 G CA 0.054 45.203 45.100 0.083 0.000 1.079 154 G HN 0.122 nan 8.290 nan 0.000 0.573 155 V N -0.627 119.291 119.914 0.006 0.000 2.763 155 V HA 0.443 4.563 4.120 -0.000 0.000 0.306 155 V C -0.265 175.754 176.094 -0.125 0.000 1.059 155 V CA -0.271 62.005 62.300 -0.039 0.000 1.138 155 V CB 1.027 32.786 31.823 -0.107 0.000 0.940 155 V HN 0.749 nan 8.190 nan 0.000 0.489 156 N N 3.594 122.225 118.700 -0.115 0.000 2.599 156 N HA 0.548 5.288 4.740 -0.000 0.000 0.283 156 N C -1.166 174.351 175.510 0.013 0.000 1.160 156 N CA -0.560 52.432 53.050 -0.097 0.000 0.869 156 N CB 1.239 39.740 38.487 0.022 0.000 1.448 156 N HN 1.018 nan 8.380 nan 0.000 0.535 157 Y N -1.097 119.223 120.300 0.032 0.000 2.814 157 Y HA 0.635 5.185 4.550 -0.000 0.000 0.348 157 Y C -1.419 174.497 175.900 0.027 0.000 1.245 157 Y CA -1.207 56.909 58.100 0.026 0.000 1.086 157 Y CB 0.419 38.892 38.460 0.020 0.000 1.373 157 Y HN 0.130 nan 8.280 nan 0.000 0.451 158 S N 2.064 117.949 115.700 0.308 0.000 2.482 158 S HA 0.667 5.137 4.470 -0.000 0.000 0.303 158 S C -1.041 173.695 174.600 0.227 0.000 1.091 158 S CA -0.681 57.639 58.200 0.200 0.000 1.057 158 S CB 1.134 64.407 63.200 0.121 0.000 1.031 158 S HN 0.452 nan 8.310 nan 0.000 0.485 159 I N 3.253 123.938 120.570 0.192 0.000 2.392 159 I HA 0.431 4.601 4.170 -0.000 0.000 0.295 159 I C 0.410 176.596 176.117 0.115 0.000 0.985 159 I CA -0.469 60.923 61.300 0.153 0.000 1.221 159 I CB 1.370 39.472 38.000 0.170 0.000 1.366 159 I HN 0.718 nan 8.210 nan 0.000 0.467 160 S N 2.977 118.731 115.700 0.090 0.000 2.532 160 S HA 0.711 5.181 4.470 -0.000 0.000 0.299 160 S C -0.227 174.430 174.600 0.095 0.000 1.105 160 S CA -0.535 57.720 58.200 0.092 0.000 1.018 160 S CB 1.627 64.874 63.200 0.080 0.000 1.021 160 S HN 0.636 nan 8.310 nan 0.000 0.483 161 S N 1.065 116.843 115.700 0.132 0.000 2.589 161 S HA 0.640 5.110 4.470 -0.000 0.000 0.210 161 S C 0.660 175.356 174.600 0.159 0.000 0.803 161 S CA -0.140 58.155 58.200 0.159 0.000 1.061 161 S CB -0.560 62.795 63.200 0.258 0.000 1.637 161 S HN 2.308 nan 8.310 nan 0.000 0.462 162 A N 0.787 123.684 122.820 0.129 0.000 5.391 162 A HA -0.338 3.982 4.320 -0.000 0.000 0.315 162 A C 1.694 179.309 177.584 0.052 0.000 1.874 162 A CA 1.221 53.319 52.037 0.102 0.000 0.714 162 A CB -2.240 16.826 19.000 0.110 0.000 1.335 162 A HN 1.506 nan 8.150 nan 0.000 0.382 163 C N 0.235 119.548 119.300 0.021 0.000 2.430 163 C HA 0.314 4.774 4.460 -0.000 0.000 0.288 163 C C 2.707 177.723 174.990 0.043 0.000 1.448 163 C CA 1.279 60.333 59.018 0.060 0.000 1.784 163 C CB -1.934 25.947 27.740 0.235 0.000 1.776 163 C HN 1.423 nan 8.230 nan 0.000 0.547 164 A N -0.081 122.765 122.820 0.044 0.000 2.348 164 A HA 0.141 4.461 4.320 -0.000 0.000 0.224 164 A C 1.886 179.501 177.584 0.051 0.000 1.227 164 A CA 0.792 52.821 52.037 -0.012 0.000 0.885 164 A CB -0.578 18.425 19.000 0.005 0.000 0.933 164 A HN 0.439 nan 8.150 nan 0.000 0.506 165 T N 1.511 116.125 114.554 0.101 0.000 2.531 165 T HA -0.269 4.081 4.350 -0.000 0.000 0.261 165 T C 2.283 177.027 174.700 0.074 0.000 1.141 165 T CA 2.748 64.917 62.100 0.116 0.000 1.176 165 T CB -0.530 68.379 68.868 0.069 0.000 0.863 165 T HN 0.810 nan 8.240 nan 0.000 0.424 166 S N 1.550 117.252 115.700 0.003 0.000 2.474 166 S HA 0.153 4.623 4.470 -0.000 0.000 0.235 166 S C 2.271 176.834 174.600 -0.061 0.000 0.997 166 S CA 0.815 58.998 58.200 -0.030 0.000 0.949 166 S CB -0.446 62.716 63.200 -0.064 0.000 0.766 166 S HN 0.564 nan 8.310 nan 0.000 0.517 167 A N 1.759 124.527 122.820 -0.087 0.000 1.897 167 A HA 0.015 4.335 4.320 -0.000 0.000 0.215 167 A C 1.927 179.440 177.584 -0.118 0.000 1.181 167 A CA 1.305 53.260 52.037 -0.137 0.000 0.620 167 A CB -1.023 17.859 19.000 -0.197 0.000 0.821 167 A HN 0.670 nan 8.150 nan 0.000 0.443 168 H N -1.663 117.426 119.070 0.031 0.000 2.423 168 H HA -0.116 4.440 4.556 -0.000 0.000 0.297 168 H C 2.167 177.475 175.328 -0.034 0.000 1.075 168 H CA 1.265 57.355 56.048 0.070 0.000 1.342 168 H CB -0.145 29.692 29.762 0.125 0.000 1.395 168 H HN 0.534 nan 8.280 nan 0.000 0.530 169 C N 0.170 119.517 119.300 0.079 0.000 2.432 169 C HA -0.130 4.330 4.460 -0.000 0.000 0.277 169 C C 2.682 177.619 174.990 -0.088 0.000 1.249 169 C CA 0.794 59.821 59.018 0.015 0.000 1.725 169 C CB -0.786 26.955 27.740 0.002 0.000 2.028 169 C HN 0.530 nan 8.230 nan 0.000 0.477 170 I N 1.014 121.499 120.570 -0.142 0.000 2.179 170 I HA -0.118 4.052 4.170 -0.000 0.000 0.242 170 I C 2.727 178.634 176.117 -0.350 0.000 1.088 170 I CA 1.830 63.006 61.300 -0.207 0.000 1.357 170 I CB -0.939 36.946 38.000 -0.192 0.000 1.051 170 I HN 0.449 nan 8.210 nan 0.000 0.409 171 G N 0.411 108.840 108.800 -0.618 0.000 2.422 171 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.218 171 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.218 171 G C 1.409 175.884 174.900 -0.708 0.000 1.146 171 G CA 1.160 45.397 45.100 -1.438 0.000 0.769 171 G HN 0.326 nan 8.290 nan 0.000 0.547 172 N N 0.616 119.147 118.700 -0.281 0.000 2.188 172 N HA 0.037 4.777 4.740 -0.000 0.000 0.184 172 N C 2.412 177.890 175.510 -0.054 0.000 1.018 172 N CA 1.299 54.331 53.050 -0.029 0.000 0.858 172 N CB -0.238 38.313 38.487 0.106 0.000 0.989 172 N HN 0.255 nan 8.380 nan 0.000 0.426 173 A N -0.165 122.584 122.820 -0.119 0.000 1.902 173 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 173 A C 2.330 179.845 177.584 -0.116 0.000 1.181 173 A CA 1.394 53.357 52.037 -0.123 0.000 0.623 173 A CB -0.885 18.024 19.000 -0.151 0.000 0.818 173 A HN 0.155 nan 8.150 nan 0.000 0.443 174 V N 0.147 119.972 119.914 -0.148 0.000 2.287 174 V HA -0.301 3.819 4.120 -0.000 0.000 0.248 174 V C 2.425 178.493 176.094 -0.043 0.000 1.053 174 V CA 2.409 64.646 62.300 -0.106 0.000 1.027 174 V CB -0.875 30.870 31.823 -0.131 0.000 0.646 174 V HN 0.657 nan 8.190 nan 0.000 0.447 175 E N -0.620 119.570 120.200 -0.017 0.000 2.110 175 E HA -0.244 4.106 4.350 -0.000 0.000 0.193 175 E C 2.394 179.007 176.600 0.021 0.000 0.988 175 E CA 1.117 57.540 56.400 0.039 0.000 0.804 175 E CB -0.166 29.589 29.700 0.091 0.000 0.745 175 E HN 0.541 nan 8.360 nan 0.000 0.458 176 Q N 0.266 120.069 119.800 0.005 0.000 2.135 176 Q HA -0.144 4.196 4.340 -0.000 0.000 0.204 176 Q C 2.258 178.247 176.000 -0.019 0.000 0.981 176 Q CA 1.140 56.944 55.803 0.001 0.000 0.856 176 Q CB -0.151 28.578 28.738 -0.017 0.000 0.902 176 Q HN 0.436 nan 8.270 nan 0.000 0.425 177 I N 0.474 121.020 120.570 -0.039 0.000 2.286 177 I HA -0.255 3.915 4.170 -0.000 0.000 0.245 177 I C 2.314 178.419 176.117 -0.021 0.000 1.104 177 I CA 0.869 62.142 61.300 -0.046 0.000 1.397 177 I CB -0.247 37.713 38.000 -0.068 0.000 1.072 177 I HN 0.213 nan 8.210 nan 0.000 0.417 178 Q N 0.627 120.423 119.800 -0.007 0.000 2.170 178 Q HA -0.135 4.205 4.340 -0.000 0.000 0.203 178 Q C 2.169 178.175 176.000 0.009 0.000 0.976 178 Q CA 1.215 57.022 55.803 0.006 0.000 0.858 178 Q CB -0.076 28.674 28.738 0.020 0.000 0.907 178 Q HN 0.528 nan 8.270 nan 0.000 0.433 179 L N -0.523 120.706 121.223 0.011 0.000 2.610 179 L HA 0.052 4.391 4.340 -0.000 0.000 0.232 179 L C 1.184 178.058 176.870 0.008 0.000 1.149 179 L CA 0.436 55.284 54.840 0.013 0.000 0.872 179 L CB -0.241 41.829 42.059 0.020 0.000 0.992 179 L HN 0.432 nan 8.230 nan 0.000 0.447 180 G N 0.124 108.925 108.800 0.001 0.000 2.155 180 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.257 180 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.257 180 G C 1.021 175.919 174.900 -0.003 0.000 0.983 180 G CA 0.651 45.750 45.100 -0.002 0.000 0.676 180 G HN 0.404 nan 8.290 nan 0.000 0.528 181 K N -0.917 119.482 120.400 -0.002 0.000 2.243 181 K HA 0.100 4.420 4.320 -0.000 0.000 0.201 181 K C 0.967 177.559 176.600 -0.013 0.000 1.051 181 K CA 0.779 57.066 56.287 0.001 0.000 0.970 181 K CB 0.077 32.586 32.500 0.014 0.000 0.755 181 K HN 0.429 nan 8.250 nan 0.000 0.465 182 Q N -0.283 119.495 119.800 -0.036 0.000 2.421 182 Q HA 0.151 4.491 4.340 -0.000 0.000 0.280 182 Q C -0.450 175.481 176.000 -0.114 0.000 1.085 182 Q CA -0.355 55.406 55.803 -0.070 0.000 0.807 182 Q CB 2.017 30.706 28.738 -0.082 0.000 1.405 182 Q HN -0.046 nan 8.270 nan 0.000 0.419 183 D N 0.219 120.509 120.400 -0.182 0.000 2.324 183 D HA 0.277 4.917 4.640 -0.000 0.000 0.212 183 D C 0.251 176.315 176.300 -0.392 0.000 0.984 183 D CA 0.794 54.604 54.000 -0.316 0.000 0.885 183 D CB 1.301 41.791 40.800 -0.517 0.000 0.996 183 D HN 0.362 nan 8.370 nan 0.000 0.505 184 I N 0.718 121.077 120.570 -0.352 0.000 2.619 184 I HA 0.264 4.434 4.170 -0.000 0.000 0.292 184 I C -1.189 174.706 176.117 -0.370 0.000 1.100 184 I CA -0.768 60.294 61.300 -0.397 0.000 1.043 184 I CB 3.359 41.074 38.000 -0.475 0.000 1.239 184 I HN -0.408 nan 8.210 nan 0.000 0.420 185 V N 5.776 125.443 119.914 -0.411 0.000 2.569 185 V HA 0.394 4.514 4.120 -0.000 0.000 0.301 185 V C -0.764 175.089 176.094 -0.401 0.000 1.044 185 V CA -0.591 61.517 62.300 -0.320 0.000 0.874 185 V CB 1.880 33.583 31.823 -0.201 0.000 1.002 185 V HN 0.381 nan 8.190 nan 0.000 0.424 186 F N 3.455 123.292 119.950 -0.188 0.000 2.438 186 F HA 0.691 5.218 4.527 -0.000 0.000 0.356 186 F C 0.721 176.408 175.800 -0.189 0.000 1.099 186 F CA 0.022 57.892 58.000 -0.218 0.000 1.185 186 F CB 1.217 40.042 39.000 -0.291 0.000 1.115 186 F HN 0.578 nan 8.300 nan 0.000 0.526 187 A N 2.508 125.309 122.820 -0.032 0.000 2.386 187 A HA 0.944 5.264 4.320 -0.000 0.000 0.311 187 A C -0.051 177.493 177.584 -0.066 0.000 1.068 187 A CA 0.075 52.072 52.037 -0.067 0.000 0.743 187 A CB 1.525 20.460 19.000 -0.108 0.000 1.258 187 A HN 1.025 nan 8.150 nan 0.000 0.429 188 G N -0.380 108.385 108.800 -0.059 0.000 2.512 188 G HA2 0.725 4.685 3.960 -0.000 0.000 0.181 188 G HA3 0.725 4.685 3.960 -0.000 0.000 0.181 188 G C -0.097 174.780 174.900 -0.038 0.000 1.173 188 G CA 0.478 45.540 45.100 -0.063 0.000 0.988 188 G HN 2.402 nan 8.290 nan 0.000 0.485 189 G N -2.112 106.670 108.800 -0.030 0.000 2.320 189 G HA2 0.788 4.748 3.960 -0.000 0.000 0.296 189 G HA3 0.788 4.748 3.960 -0.000 0.000 0.296 189 G C -0.531 174.378 174.900 0.015 0.000 1.306 189 G CA 0.702 45.800 45.100 -0.002 0.000 0.836 189 G HN 2.091 nan 8.290 nan 0.000 0.517 190 G N -1.290 107.535 108.800 0.042 0.000 2.692 190 G HA2 0.691 4.651 3.960 -0.000 0.000 0.291 190 G HA3 0.691 4.651 3.960 -0.000 0.000 0.291 190 G C -1.940 173.013 174.900 0.087 0.000 1.423 190 G CA -0.298 44.857 45.100 0.093 0.000 0.843 190 G HN 0.710 nan 8.290 nan 0.000 0.486 191 E N -0.261 120.025 120.200 0.143 0.000 2.321 191 E HA 0.355 4.705 4.350 -0.000 0.000 0.281 191 E C -0.329 176.385 176.600 0.191 0.000 0.910 191 E CA -0.664 55.799 56.400 0.104 0.000 0.770 191 E CB 1.508 31.216 29.700 0.014 0.000 1.225 191 E HN 0.703 nan 8.360 nan 0.000 0.417 192 E N 3.009 123.290 120.200 0.135 0.000 2.345 192 E HA 0.441 4.791 4.350 -0.000 0.000 0.259 192 E C -0.755 175.904 176.600 0.099 0.000 1.117 192 E CA -0.868 55.613 56.400 0.135 0.000 0.913 192 E CB 1.222 30.954 29.700 0.054 0.000 1.057 192 E HN 0.243 nan 8.360 nan 0.000 0.432 193 L N 2.513 123.771 121.223 0.058 0.000 2.343 193 L HA 0.460 4.800 4.340 -0.000 0.000 0.278 193 L C -1.312 175.585 176.870 0.044 0.000 0.996 193 L CA -0.343 54.487 54.840 -0.016 0.000 0.831 193 L CB 0.852 42.743 42.059 -0.279 0.000 1.232 193 L HN 0.938 nan 8.230 nan 0.000 0.413 194 C N 2.156 121.554 119.300 0.164 0.000 3.284 194 C HA 0.418 4.878 4.460 -0.000 0.000 0.338 194 C C 1.051 176.157 174.990 0.192 0.000 1.237 194 C CA -1.024 58.096 59.018 0.169 0.000 1.276 194 C CB 0.610 28.314 27.740 -0.061 0.000 1.601 194 C HN 1.046 nan 8.230 nan 0.000 0.494 195 W N 1.004 122.430 121.300 0.209 0.000 2.374 195 W HA 0.011 4.671 4.660 -0.000 0.000 0.288 195 W C 1.034 177.629 176.519 0.127 0.000 1.218 195 W CA 1.828 59.259 57.345 0.143 0.000 1.245 195 W CB -1.052 28.450 29.460 0.069 0.000 1.126 195 W HN 0.876 nan 8.180 nan 0.000 0.545 196 E N 0.839 120.454 120.200 -0.974 0.000 2.097 196 E HA -0.264 4.086 4.350 -0.000 0.000 0.196 196 E C 2.333 178.792 176.600 -0.234 0.000 1.000 196 E CA 2.773 58.622 56.400 -0.919 0.000 0.804 196 E CB -0.677 28.507 29.700 -0.860 0.000 0.740 196 E HN 0.386 nan 8.360 nan 0.000 0.454 197 M N -0.764 118.797 119.600 -0.065 0.000 2.429 197 M HA 0.130 4.610 4.480 -0.000 0.000 0.265 197 M C 2.070 178.548 176.300 0.298 0.000 1.120 197 M CA 1.096 56.468 55.300 0.120 0.000 1.173 197 M CB 0.145 32.849 32.600 0.174 0.000 1.343 197 M HN 0.151 nan 8.290 nan 0.000 0.464 198 A N 0.522 123.534 122.820 0.320 0.000 1.940 198 A HA -0.244 4.076 4.320 -0.000 0.000 0.219 198 A C 2.332 180.130 177.584 0.356 0.000 1.176 198 A CA 1.888 54.166 52.037 0.402 0.000 0.631 198 A CB -1.790 17.412 19.000 0.336 0.000 0.814 198 A HN 0.874 nan 8.150 nan 0.000 0.446 199 C N -0.475 119.003 119.300 0.296 0.000 2.419 199 C HA -0.073 4.386 4.460 -0.000 0.000 0.281 199 C C 2.164 177.257 174.990 0.172 0.000 1.336 199 C CA 1.034 60.202 59.018 0.249 0.000 1.770 199 C CB -1.578 26.350 27.740 0.313 0.000 1.929 199 C HN 0.661 nan 8.230 nan 0.000 0.509 200 E N 0.494 120.765 120.200 0.119 0.000 2.110 200 E HA -0.116 4.234 4.350 -0.000 0.000 0.193 200 E C 1.772 178.325 176.600 -0.079 0.000 0.988 200 E CA 1.486 57.865 56.400 -0.035 0.000 0.804 200 E CB -0.337 29.256 29.700 -0.179 0.000 0.745 200 E HN 0.781 nan 8.360 nan 0.000 0.458 201 F N 1.154 121.210 119.950 0.177 0.000 2.206 201 F HA -0.109 4.418 4.527 0.000 0.000 0.298 201 F C 2.231 178.086 175.800 0.093 0.000 1.090 201 F CA 0.937 59.054 58.000 0.195 0.000 1.323 201 F CB -0.154 38.976 39.000 0.217 0.000 1.028 201 F HN -0.045 nan 8.300 nan 0.000 0.492 202 D N 0.394 120.929 120.400 0.225 0.000 2.144 202 D HA -0.144 4.496 4.640 -0.000 0.000 0.199 202 D C 2.268 178.627 176.300 0.098 0.000 0.984 202 D CA 1.248 55.321 54.000 0.122 0.000 0.834 202 D CB -0.222 40.646 40.800 0.113 0.000 0.955 202 D HN 0.170 nan 8.370 nan 0.000 0.465 203 A N 0.780 123.656 122.820 0.094 0.000 2.024 203 A HA -0.138 4.182 4.320 -0.000 0.000 0.220 203 A C 2.182 179.797 177.584 0.052 0.000 1.164 203 A CA 1.752 53.827 52.037 0.062 0.000 0.643 203 A CB -0.743 18.286 19.000 0.049 0.000 0.806 203 A HN 0.521 nan 8.150 nan 0.000 0.451 204 M N -2.925 116.718 119.600 0.072 0.000 2.453 204 M HA 0.458 4.938 4.480 -0.000 0.000 0.239 204 M C 1.011 177.367 176.300 0.092 0.000 1.151 204 M CA 0.559 55.899 55.300 0.066 0.000 0.989 204 M CB -0.090 32.544 32.600 0.057 0.000 1.548 204 M HN 0.541 nan 8.290 nan 0.000 0.479 205 G N 1.043 109.896 108.800 0.089 0.000 2.198 205 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.260 205 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.260 205 G C 0.763 175.723 174.900 0.101 0.000 1.025 205 G CA 0.439 45.584 45.100 0.076 0.000 0.769 205 G HN 0.778 nan 8.290 nan 0.000 0.507 206 A N -1.033 121.876 122.820 0.149 0.000 2.132 206 A HA 0.628 4.948 4.320 -0.000 0.000 0.213 206 A C 1.300 178.821 177.584 -0.104 0.000 1.154 206 A CA 0.678 52.828 52.037 0.189 0.000 0.753 206 A CB 0.150 19.460 19.000 0.517 0.000 0.826 206 A HN 0.636 nan 8.150 nan 0.000 0.469 207 L N 0.062 121.167 121.223 -0.198 0.000 2.379 207 L HA 0.335 4.675 4.340 -0.000 0.000 0.269 207 L C 0.740 177.536 176.870 -0.123 0.000 1.084 207 L CA -0.553 54.083 54.840 -0.340 0.000 0.802 207 L CB 1.489 43.384 42.059 -0.272 0.000 1.175 207 L HN 0.162 nan 8.230 nan 0.000 0.448 208 S N 0.199 115.847 115.700 -0.087 0.000 2.533 208 S HA 0.145 4.615 4.470 -0.000 0.000 0.282 208 S C 0.742 175.347 174.600 0.008 0.000 1.304 208 S CA 0.130 58.347 58.200 0.029 0.000 1.063 208 S CB 0.402 63.659 63.200 0.095 0.000 0.881 208 S HN 0.823 nan 8.310 nan 0.000 0.493 209 T N 1.399 115.955 114.554 0.003 0.000 3.087 209 T HA 0.342 4.692 4.350 -0.000 0.000 0.283 209 T C 0.767 175.397 174.700 -0.116 0.000 0.956 209 T CA -0.462 61.590 62.100 -0.080 0.000 0.894 209 T CB -0.068 68.745 68.868 -0.091 0.000 1.160 209 T HN 0.611 nan 8.240 nan 0.000 0.532 210 K N 0.257 120.587 120.400 -0.118 0.000 2.374 210 K HA 0.251 4.571 4.320 -0.000 0.000 0.196 210 K C -0.331 175.941 176.600 -0.547 0.000 1.023 210 K CA 0.236 56.319 56.287 -0.341 0.000 1.103 210 K CB 0.213 32.441 32.500 -0.454 0.000 0.848 210 K HN 0.447 nan 8.250 nan 0.000 0.528 211 Y N 0.016 120.307 120.300 -0.016 0.000 2.716 211 Y HA 0.209 4.759 4.550 -0.000 0.000 0.260 211 Y C 0.844 176.756 175.900 0.020 0.000 1.141 211 Y CA -0.667 57.435 58.100 0.004 0.000 1.168 211 Y CB 0.103 38.573 38.460 0.016 0.000 1.189 211 Y HN 0.003 nan 8.280 nan 0.000 0.549 212 N N 0.607 119.359 118.700 0.087 0.000 2.364 212 N HA -0.157 4.583 4.740 -0.000 0.000 0.183 212 N C 0.859 176.463 175.510 0.156 0.000 1.022 212 N CA 1.332 54.466 53.050 0.141 0.000 0.883 212 N CB 0.069 38.603 38.487 0.079 0.000 0.965 212 N HN 0.493 nan 8.380 nan 0.000 0.438 213 D N -0.093 120.354 120.400 0.078 0.000 2.317 213 D HA -0.025 4.615 4.640 -0.000 0.000 0.211 213 D C 0.470 176.802 176.300 0.053 0.000 0.966 213 D CA 0.854 54.872 54.000 0.030 0.000 0.876 213 D CB 0.178 40.979 40.800 0.000 0.000 0.927 213 D HN 0.317 nan 8.370 nan 0.000 0.519 214 T N -1.933 112.687 114.554 0.111 0.000 3.418 214 T HA 0.326 4.676 4.350 -0.000 0.000 0.315 214 T C -2.353 172.427 174.700 0.133 0.000 1.447 214 T CA -1.667 60.500 62.100 0.111 0.000 1.641 214 T CB 1.877 70.819 68.868 0.123 0.000 0.904 214 T HN -0.297 nan 8.240 nan 0.000 0.640 215 P HA -0.182 nan 4.420 nan 0.000 0.217 215 P C 1.384 178.743 177.300 0.097 0.000 1.158 215 P CA 1.391 64.578 63.100 0.146 0.000 0.887 215 P CB 0.124 31.932 31.700 0.180 0.000 0.792 216 E N -0.734 119.510 120.200 0.072 0.000 2.472 216 E HA -0.138 4.212 4.350 -0.000 0.000 0.200 216 E C 1.338 177.936 176.600 -0.004 0.000 1.046 216 E CA 0.742 57.165 56.400 0.037 0.000 0.871 216 E CB -0.266 29.453 29.700 0.031 0.000 0.806 216 E HN 0.410 nan 8.360 nan 0.000 0.533 217 K N -0.303 120.086 120.400 -0.019 0.000 2.358 217 K HA 0.210 4.530 4.320 -0.000 0.000 0.200 217 K C 1.737 178.152 176.600 -0.308 0.000 1.030 217 K CA 0.229 56.441 56.287 -0.124 0.000 1.097 217 K CB 0.705 33.153 32.500 -0.087 0.000 0.862 217 K HN -0.022 nan 8.250 nan 0.000 0.534 218 A N 1.214 123.943 122.820 -0.150 0.000 1.877 218 A HA -0.072 4.248 4.320 -0.000 0.000 0.216 218 A C 1.385 178.873 177.584 -0.159 0.000 1.186 218 A CA 1.189 53.142 52.037 -0.140 0.000 0.620 218 A CB -0.122 18.930 19.000 0.086 0.000 0.822 218 A HN 0.160 nan 8.150 nan 0.000 0.443 219 S N 0.611 116.261 115.700 -0.082 0.000 2.416 219 S HA 0.431 4.901 4.470 -0.000 0.000 0.287 219 S C 0.242 174.779 174.600 -0.105 0.000 1.139 219 S CA -0.651 57.516 58.200 -0.056 0.000 1.058 219 S CB -0.123 63.074 63.200 -0.004 0.000 0.967 219 S HN 0.488 nan 8.310 nan 0.000 0.495 220 R N 2.831 123.259 120.500 -0.120 0.000 2.627 220 R HA 0.191 4.531 4.340 -0.000 0.000 0.251 220 R C -0.769 175.471 176.300 -0.100 0.000 1.524 220 R CA -0.637 55.396 56.100 -0.112 0.000 1.606 220 R CB -0.920 29.283 30.300 -0.161 0.000 1.396 220 R HN 0.432 nan 8.270 nan 0.000 0.724 221 T N 2.097 116.550 114.554 -0.168 0.000 2.891 221 T HA -0.080 4.270 4.350 -0.000 0.000 0.296 221 T C -0.010 174.505 174.700 -0.308 0.000 1.025 221 T CA 0.999 62.872 62.100 -0.379 0.000 1.149 221 T CB -0.122 68.394 68.868 -0.588 0.000 1.007 221 T HN 0.550 nan 8.240 nan 0.000 0.528 222 Y N -1.292 119.021 120.300 0.020 0.000 4.894 222 Y HA -0.213 4.337 4.550 -0.000 0.000 0.270 222 Y C 0.719 176.636 175.900 0.027 0.000 0.930 222 Y CA 0.501 58.616 58.100 0.024 0.000 1.814 222 Y CB -2.234 36.239 38.460 0.021 0.000 1.235 222 Y HN 0.777 nan 8.280 nan 0.000 0.480 223 D N 0.585 121.061 120.400 0.126 0.000 2.350 223 D HA 0.555 5.195 4.640 -0.000 0.000 0.249 223 D C 1.271 177.635 176.300 0.106 0.000 1.119 223 D CA 0.775 54.844 54.000 0.115 0.000 0.886 223 D CB 1.305 42.152 40.800 0.079 0.000 1.195 223 D HN 0.272 nan 8.370 nan 0.000 0.437 224 A N 3.188 126.069 122.820 0.102 0.000 2.076 224 A HA -0.174 4.146 4.320 -0.000 0.000 0.220 224 A C 1.057 178.539 177.584 -0.169 0.000 1.160 224 A CA 1.355 53.374 52.037 -0.029 0.000 0.653 224 A CB -0.540 18.413 19.000 -0.078 0.000 0.801 224 A HN 0.760 nan 8.150 nan 0.000 0.455 225 H N -0.516 118.610 119.070 0.093 0.000 2.487 225 H HA 0.189 4.745 4.556 -0.000 0.000 0.290 225 H C 0.550 175.985 175.328 0.178 0.000 1.081 225 H CA -0.277 55.856 56.048 0.142 0.000 1.116 225 H CB 0.041 29.919 29.762 0.193 0.000 1.560 225 H HN 0.606 nan 8.280 nan 0.000 0.548 226 R N 1.288 121.886 120.500 0.164 0.000 2.694 226 R HA 0.055 4.395 4.340 -0.000 0.000 0.268 226 R C -0.447 175.950 176.300 0.162 0.000 1.061 226 R CA 0.303 56.476 56.100 0.121 0.000 1.133 226 R CB 0.520 30.846 30.300 0.044 0.000 1.020 226 R HN 0.226 nan 8.270 nan 0.000 0.475 227 D N 0.243 120.750 120.400 0.179 0.000 2.785 227 D HA 0.221 4.861 4.640 -0.000 0.000 0.324 227 D C -0.005 176.361 176.300 0.110 0.000 1.523 227 D CA 0.032 54.123 54.000 0.152 0.000 0.789 227 D CB 0.409 41.319 40.800 0.183 0.000 1.171 227 D HN 0.915 nan 8.370 nan 0.000 0.447 228 G N 0.499 109.360 108.800 0.102 0.000 2.406 228 G HA2 0.225 4.185 3.960 -0.000 0.000 0.680 228 G HA3 0.225 4.185 3.960 -0.000 0.000 0.680 228 G C -0.574 174.383 174.900 0.096 0.000 1.338 228 G CA -0.703 44.450 45.100 0.089 0.000 0.941 228 G HN 0.315 nan 8.290 nan 0.000 0.633 229 F N -0.368 119.599 119.950 0.028 0.000 2.378 229 F HA 0.799 5.326 4.527 -0.000 0.000 0.319 229 F C 0.273 176.094 175.800 0.034 0.000 1.155 229 F CA -1.344 56.651 58.000 -0.008 0.000 1.157 229 F CB 1.188 40.145 39.000 -0.070 0.000 1.252 229 F HN 0.389 nan 8.300 nan 0.000 0.550 230 V N 4.275 124.346 119.914 0.262 0.000 2.347 230 V HA 0.254 4.374 4.120 -0.000 0.000 0.280 230 V C 0.231 176.519 176.094 0.323 0.000 1.021 230 V CA -0.874 61.525 62.300 0.164 0.000 0.847 230 V CB 1.108 33.018 31.823 0.145 0.000 0.990 230 V HN 0.848 nan 8.190 nan 0.000 0.444 231 I N 4.721 125.428 120.570 0.228 0.000 2.692 231 I HA 0.487 4.657 4.170 -0.000 0.000 0.284 231 I C 0.510 176.749 176.117 0.204 0.000 1.159 231 I CA 0.576 62.051 61.300 0.292 0.000 1.423 231 I CB 0.817 38.938 38.000 0.201 0.000 1.380 231 I HN 0.800 nan 8.210 nan 0.000 0.580 232 A N 4.867 127.739 122.820 0.088 0.000 2.569 232 A HA 0.895 5.215 4.320 -0.000 0.000 0.290 232 A C -0.596 176.933 177.584 -0.092 0.000 1.136 232 A CA -0.115 51.911 52.037 -0.018 0.000 0.710 232 A CB 1.366 20.351 19.000 -0.025 0.000 1.303 232 A HN 0.831 nan 8.150 nan 0.000 0.413 233 G N -1.832 106.867 108.800 -0.168 0.000 2.730 233 G HA2 0.922 4.882 3.960 -0.000 0.000 0.289 233 G HA3 0.922 4.882 3.960 -0.000 0.000 0.289 233 G C -0.073 174.643 174.900 -0.306 0.000 1.341 233 G CA -0.240 44.765 45.100 -0.158 0.000 0.932 233 G HN 2.280 nan 8.290 nan 0.000 0.481 234 G N -2.137 106.445 108.800 -0.365 0.000 2.340 234 G HA2 0.618 4.578 3.960 -0.000 0.000 0.282 234 G HA3 0.618 4.578 3.960 -0.000 0.000 0.282 234 G C -0.366 174.438 174.900 -0.161 0.000 1.312 234 G CA 0.211 44.958 45.100 -0.587 0.000 0.942 234 G HN 1.982 nan 8.290 nan 0.000 0.495 235 G N -1.866 106.860 108.800 -0.124 0.000 2.684 235 G HA2 1.008 4.968 3.960 -0.000 0.000 0.290 235 G HA3 1.008 4.968 3.960 -0.000 0.000 0.290 235 G C -0.388 174.476 174.900 -0.060 0.000 1.425 235 G CA 0.339 45.439 45.100 0.001 0.000 0.822 235 G HN 2.089 nan 8.290 nan 0.000 0.482 236 G N -1.233 107.531 108.800 -0.061 0.000 2.703 236 G HA2 0.672 4.632 3.960 -0.000 0.000 0.294 236 G HA3 0.672 4.632 3.960 -0.000 0.000 0.294 236 G C -1.695 173.151 174.900 -0.089 0.000 1.451 236 G CA -0.605 44.435 45.100 -0.101 0.000 0.869 236 G HN 0.943 nan 8.290 nan 0.000 0.516 237 M N 1.150 120.690 119.600 -0.101 0.000 2.365 237 M HA 0.671 5.151 4.480 -0.000 0.000 0.287 237 M C -1.042 175.203 176.300 -0.092 0.000 1.154 237 M CA -0.771 54.475 55.300 -0.090 0.000 0.941 237 M CB 2.246 34.783 32.600 -0.106 0.000 1.704 237 M HN 1.168 nan 8.290 nan 0.000 0.479 238 V N 1.750 121.615 119.914 -0.083 0.000 2.914 238 V HA 0.895 5.015 4.120 -0.000 0.000 0.314 238 V C -1.117 174.927 176.094 -0.085 0.000 1.084 238 V CA -0.935 61.307 62.300 -0.095 0.000 0.963 238 V CB 1.820 33.564 31.823 -0.131 0.000 1.025 238 V HN 0.607 nan 8.190 nan 0.000 0.432 239 V N 3.779 123.633 119.914 -0.100 0.000 2.334 239 V HA 0.346 4.466 4.120 -0.000 0.000 0.267 239 V C 0.167 176.135 176.094 -0.211 0.000 1.040 239 V CA -0.312 61.850 62.300 -0.230 0.000 0.866 239 V CB 1.036 32.746 31.823 -0.187 0.000 1.019 239 V HN 0.728 nan 8.190 nan 0.000 0.468 240 V N 5.266 125.021 119.914 -0.265 0.000 2.407 240 V HA 0.481 4.601 4.120 -0.000 0.000 0.278 240 V C 0.073 176.031 176.094 -0.226 0.000 1.037 240 V CA -0.259 61.922 62.300 -0.199 0.000 0.900 240 V CB 1.350 33.062 31.823 -0.184 0.000 0.983 240 V HN 0.973 nan 8.190 nan 0.000 0.459 241 E N 2.733 122.839 120.200 -0.157 0.000 2.356 241 E HA 0.328 4.678 4.350 -0.000 0.000 0.275 241 E C -0.867 175.680 176.600 -0.088 0.000 0.904 241 E CA -0.744 55.565 56.400 -0.151 0.000 0.757 241 E CB 1.888 31.520 29.700 -0.114 0.000 1.232 241 E HN 0.684 nan 8.360 nan 0.000 0.442 242 E N 3.498 123.646 120.200 -0.086 0.000 2.384 242 E HA -0.032 4.318 4.350 -0.000 0.000 0.266 242 E C 0.813 177.424 176.600 0.019 0.000 1.012 242 E CA -0.090 56.293 56.400 -0.029 0.000 0.901 242 E CB 1.107 30.794 29.700 -0.021 0.000 0.967 242 E HN 0.619 nan 8.360 nan 0.000 0.435 243 L N 5.597 126.825 121.223 0.009 0.000 1.971 243 L HA -0.243 4.097 4.340 -0.000 0.000 0.215 243 L C 1.907 178.790 176.870 0.023 0.000 1.072 243 L CA 1.998 56.844 54.840 0.010 0.000 0.758 243 L CB -0.464 41.595 42.059 0.000 0.000 0.889 243 L HN 0.557 nan 8.230 nan 0.000 0.433 244 E N -1.010 119.208 120.200 0.029 0.000 2.085 244 E HA -0.270 4.080 4.350 -0.000 0.000 0.194 244 E C 2.239 178.858 176.600 0.033 0.000 0.994 244 E CA 1.422 57.836 56.400 0.023 0.000 0.801 244 E CB -0.733 28.980 29.700 0.022 0.000 0.743 244 E HN 0.681 nan 8.360 nan 0.000 0.453 245 H N 0.546 119.601 119.070 -0.024 0.000 2.353 245 H HA -0.037 4.519 4.556 -0.000 0.000 0.300 245 H C 1.839 177.151 175.328 -0.027 0.000 1.090 245 H CA 1.769 57.803 56.048 -0.025 0.000 1.327 245 H CB 0.174 29.918 29.762 -0.031 0.000 1.383 245 H HN 0.129 nan 8.280 nan 0.000 0.508 246 A N 1.135 124.025 122.820 0.117 0.000 1.873 246 A HA -0.082 4.238 4.320 -0.000 0.000 0.215 246 A C 2.896 180.473 177.584 -0.012 0.000 1.186 246 A CA 1.184 53.254 52.037 0.054 0.000 0.616 246 A CB -0.851 18.167 19.000 0.031 0.000 0.823 246 A HN 0.407 nan 8.150 nan 0.000 0.442 247 L N -0.708 120.504 121.223 -0.020 0.000 2.046 247 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 247 L C 3.067 179.908 176.870 -0.048 0.000 1.077 247 L CA 1.029 55.849 54.840 -0.033 0.000 0.747 247 L CB -0.578 41.465 42.059 -0.027 0.000 0.896 247 L HN 0.436 nan 8.230 nan 0.000 0.432 248 A N 1.002 123.779 122.820 -0.071 0.000 1.978 248 A HA -0.203 4.117 4.320 -0.000 0.000 0.220 248 A C 2.235 179.756 177.584 -0.104 0.000 1.170 248 A CA 1.764 53.744 52.037 -0.095 0.000 0.636 248 A CB -0.515 18.403 19.000 -0.137 0.000 0.810 248 A HN 0.591 nan 8.150 nan 0.000 0.448 249 R N -1.347 119.084 120.500 -0.114 0.000 2.359 249 R HA 0.356 4.696 4.340 -0.000 0.000 0.231 249 R C 0.936 177.213 176.300 -0.038 0.000 0.913 249 R CA 0.611 56.661 56.100 -0.083 0.000 1.075 249 R CB -0.617 29.627 30.300 -0.093 0.000 1.087 249 R HN 0.714 nan 8.270 nan 0.000 0.515 250 G N 0.900 109.679 108.800 -0.035 0.000 2.246 250 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.273 250 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.273 250 G C 0.315 175.211 174.900 -0.007 0.000 1.055 250 G CA 0.197 45.284 45.100 -0.021 0.000 0.851 250 G HN 0.718 nan 8.290 nan 0.000 0.500 251 A N 0.059 122.875 122.820 -0.006 0.000 2.406 251 A HA 0.519 4.839 4.320 -0.000 0.000 0.243 251 A C 0.682 178.267 177.584 0.001 0.000 1.082 251 A CA 0.160 52.205 52.037 0.014 0.000 0.786 251 A CB 0.221 19.232 19.000 0.018 0.000 1.029 251 A HN 1.014 nan 8.150 nan 0.000 0.495 252 H N 1.946 120.967 119.070 -0.081 0.000 2.723 252 H HA 0.398 4.954 4.556 -0.000 0.000 0.294 252 H C -1.005 174.215 175.328 -0.181 0.000 1.079 252 H CA -0.129 55.824 56.048 -0.157 0.000 1.411 252 H CB 0.306 29.938 29.762 -0.217 0.000 1.439 252 H HN 0.470 nan 8.280 nan 0.000 0.474 253 I N 6.779 126.980 120.570 -0.615 0.000 2.312 253 I HA -0.022 4.148 4.170 -0.000 0.000 0.290 253 I C 0.221 176.002 176.117 -0.561 0.000 1.008 253 I CA -0.567 60.485 61.300 -0.413 0.000 1.226 253 I CB 0.977 38.853 38.000 -0.206 0.000 1.371 253 I HN 0.658 nan 8.210 nan 0.000 0.468 254 Y N 5.184 125.310 120.300 -0.289 0.000 2.184 254 Y HA 0.181 4.731 4.550 -0.000 0.000 0.290 254 Y C 1.263 177.095 175.900 -0.114 0.000 1.129 254 Y CA 1.047 59.050 58.100 -0.162 0.000 1.144 254 Y CB 0.149 38.593 38.460 -0.026 0.000 0.995 254 Y HN 0.674 nan 8.280 nan 0.000 0.513 255 A N -0.865 122.003 122.820 0.079 0.000 2.544 255 A HA 0.404 4.724 4.320 -0.000 0.000 0.291 255 A C -1.487 176.103 177.584 0.011 0.000 1.055 255 A CA -0.837 51.217 52.037 0.029 0.000 0.651 255 A CB 0.653 19.681 19.000 0.047 0.000 1.296 255 A HN 0.063 nan 8.150 nan 0.000 0.431 256 E N 0.421 120.623 120.200 0.003 0.000 2.204 256 E HA 0.606 4.956 4.350 -0.000 0.000 0.276 256 E C -1.144 175.459 176.600 0.005 0.000 0.974 256 E CA -0.591 55.809 56.400 -0.001 0.000 0.815 256 E CB 0.894 30.593 29.700 -0.001 0.000 1.119 256 E HN 0.485 nan 8.360 nan 0.000 0.393 257 I N 5.666 126.236 120.570 -0.001 0.000 2.308 257 I HA 0.029 4.199 4.170 -0.000 0.000 0.293 257 I C 1.032 177.164 176.117 0.025 0.000 1.078 257 I CA -0.269 61.035 61.300 0.006 0.000 1.292 257 I CB 0.960 38.950 38.000 -0.016 0.000 1.423 257 I HN 0.506 nan 8.210 nan 0.000 0.493 258 V N 2.724 122.660 119.914 0.038 0.000 3.621 258 V HA 0.535 4.655 4.120 -0.000 0.000 0.285 258 V C 0.651 176.786 176.094 0.067 0.000 1.346 258 V CA 0.156 62.484 62.300 0.047 0.000 1.104 258 V CB -0.019 31.828 31.823 0.040 0.000 0.913 258 V HN 0.720 nan 8.190 nan 0.000 0.432 259 G N -0.432 108.418 108.800 0.084 0.000 2.759 259 G HA2 0.537 4.497 3.960 -0.000 0.000 0.297 259 G HA3 0.537 4.497 3.960 -0.000 0.000 0.297 259 G C -2.328 172.677 174.900 0.175 0.000 1.434 259 G CA -0.568 44.597 45.100 0.109 0.000 0.980 259 G HN 0.408 nan 8.290 nan 0.000 0.531 260 Y N 1.148 121.458 120.300 0.018 0.000 2.330 260 Y HA 0.670 5.220 4.550 -0.000 0.000 0.324 260 Y C -0.194 175.721 175.900 0.025 0.000 1.093 260 Y CA -1.107 57.001 58.100 0.013 0.000 1.103 260 Y CB 1.665 40.133 38.460 0.013 0.000 1.183 260 Y HN 0.872 nan 8.280 nan 0.000 0.433 261 G N 3.089 111.742 108.800 -0.245 0.000 2.416 261 G HA2 0.758 4.718 3.960 -0.000 0.000 0.329 261 G HA3 0.758 4.718 3.960 -0.000 0.000 0.329 261 G C -1.645 173.009 174.900 -0.411 0.000 1.173 261 G CA -0.605 44.300 45.100 -0.326 0.000 0.929 261 G HN 1.179 nan 8.290 nan 0.000 0.475 262 A N 1.542 124.156 122.820 -0.343 0.000 2.476 262 A HA 0.837 5.157 4.320 -0.000 0.000 0.280 262 A C -0.016 177.560 177.584 -0.014 0.000 1.081 262 A CA -0.089 51.906 52.037 -0.070 0.000 0.753 262 A CB 1.184 20.145 19.000 -0.065 0.000 1.248 262 A HN 1.523 nan 8.150 nan 0.000 0.424 263 T N -1.432 113.162 114.554 0.065 0.000 2.804 263 T HA 0.864 5.214 4.350 -0.000 0.000 0.290 263 T C -0.262 174.471 174.700 0.054 0.000 1.099 263 T CA -0.504 61.613 62.100 0.029 0.000 1.011 263 T CB 1.754 70.625 68.868 0.004 0.000 1.291 263 T HN 1.345 nan 8.240 nan 0.000 0.523 264 S N -0.994 114.718 115.700 0.019 0.000 2.536 264 S HA 0.460 4.930 4.470 -0.000 0.000 0.287 264 S C -0.218 174.381 174.600 -0.001 0.000 1.101 264 S CA -0.610 57.603 58.200 0.021 0.000 0.950 264 S CB 1.585 64.792 63.200 0.012 0.000 1.056 264 S HN 0.692 nan 8.310 nan 0.000 0.481 265 D N 2.805 123.204 120.400 -0.002 0.000 2.137 265 D HA 0.150 4.790 4.640 -0.000 0.000 0.202 265 D C 1.521 177.813 176.300 -0.012 0.000 0.970 265 D CA 1.494 55.481 54.000 -0.021 0.000 0.837 265 D CB -0.503 40.282 40.800 -0.024 0.000 0.981 265 D HN 1.039 nan 8.370 nan 0.000 0.475 266 G N 0.093 108.892 108.800 -0.001 0.000 2.305 266 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.287 266 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.287 266 G C 0.661 175.558 174.900 -0.005 0.000 1.036 266 G CA 0.955 46.054 45.100 -0.002 0.000 0.887 266 G HN 0.621 nan 8.290 nan 0.000 0.505 267 A N -0.885 121.933 122.820 -0.004 0.000 1.857 267 A HA 0.683 5.003 4.320 -0.000 0.000 0.192 267 A C 0.448 178.030 177.584 -0.004 0.000 2.203 267 A CA 1.057 53.090 52.037 -0.007 0.000 1.377 267 A CB 0.274 19.267 19.000 -0.012 0.000 0.976 267 A HN 0.496 nan 8.150 nan 0.000 0.594 268 D N -1.132 119.267 120.400 -0.003 0.000 2.181 268 D HA 0.475 5.115 4.640 -0.000 0.000 0.248 268 D C 1.135 177.434 176.300 -0.002 0.000 1.020 268 D CA -0.480 53.517 54.000 -0.006 0.000 0.891 268 D CB 0.820 41.617 40.800 -0.005 0.000 1.187 268 D HN 0.129 nan 8.370 nan 0.000 0.443 269 M N 2.030 121.616 119.600 -0.024 0.000 2.156 269 M HA -0.012 4.468 4.480 -0.000 0.000 0.264 269 M C 1.189 177.434 176.300 -0.092 0.000 1.067 269 M CA 1.121 56.399 55.300 -0.036 0.000 1.131 269 M CB -0.296 32.267 32.600 -0.061 0.000 1.368 269 M HN 0.479 nan 8.290 nan 0.000 0.416 270 V N -2.806 117.007 119.914 -0.167 0.000 2.915 270 V HA 0.745 4.865 4.120 -0.000 0.000 0.364 270 V C -0.131 175.931 176.094 -0.052 0.000 1.354 270 V CA -0.380 61.711 62.300 -0.348 0.000 1.213 270 V CB -0.551 30.905 31.823 -0.612 0.000 1.268 270 V HN 0.172 nan 8.190 nan 0.000 0.557 271 A N 1.314 124.158 122.820 0.040 0.000 2.488 271 A HA 0.877 5.196 4.320 -0.000 0.000 0.295 271 A C -3.214 174.407 177.584 0.062 0.000 1.045 271 A CA -1.317 50.766 52.037 0.077 0.000 0.703 271 A CB 1.658 20.680 19.000 0.038 0.000 1.271 271 A HN 0.207 nan 8.150 nan 0.000 0.400 272 P HA 0.146 nan 4.420 nan 0.000 0.275 272 P C 0.714 177.987 177.300 -0.044 0.000 1.227 272 P CA 0.110 63.196 63.100 -0.023 0.000 0.781 272 P CB 1.530 33.195 31.700 -0.058 0.000 0.906 273 S N 1.598 117.254 115.700 -0.074 0.000 2.478 273 S HA 0.164 4.634 4.470 -0.000 0.000 0.222 273 S C 1.648 176.201 174.600 -0.079 0.000 1.008 273 S CA 0.787 58.951 58.200 -0.060 0.000 0.928 273 S CB -0.895 62.274 63.200 -0.052 0.000 0.781 273 S HN 0.722 nan 8.310 nan 0.000 0.518 274 G N 1.875 110.592 108.800 -0.139 0.000 2.498 274 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.229 274 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.229 274 G C 0.942 175.766 174.900 -0.127 0.000 1.156 274 G CA 0.579 45.596 45.100 -0.140 0.000 0.680 274 G HN 0.472 nan 8.290 nan 0.000 0.512 275 E N 1.717 121.862 120.200 -0.092 0.000 2.077 275 E HA -0.065 4.285 4.350 -0.000 0.000 0.193 275 E C 2.651 179.200 176.600 -0.085 0.000 0.989 275 E CA 2.211 58.569 56.400 -0.071 0.000 0.800 275 E CB -0.962 28.707 29.700 -0.051 0.000 0.746 275 E HN 0.635 nan 8.360 nan 0.000 0.452 276 G N 0.703 109.438 108.800 -0.108 0.000 2.408 276 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.217 276 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.217 276 G C 1.738 176.559 174.900 -0.132 0.000 1.150 276 G CA 1.239 46.278 45.100 -0.102 0.000 0.776 276 G HN 0.421 nan 8.290 nan 0.000 0.542 277 A N 0.205 122.867 122.820 -0.263 0.000 1.902 277 A HA 0.081 4.401 4.320 -0.000 0.000 0.217 277 A C 2.602 180.145 177.584 -0.068 0.000 1.181 277 A CA 1.765 53.619 52.037 -0.306 0.000 0.623 277 A CB -0.611 18.004 19.000 -0.641 0.000 0.818 277 A HN 0.241 nan 8.150 nan 0.000 0.443 278 V N 0.038 119.907 119.914 -0.076 0.000 2.261 278 V HA -0.289 3.831 4.120 -0.000 0.000 0.246 278 V C 2.648 178.718 176.094 -0.041 0.000 1.047 278 V CA 2.337 64.611 62.300 -0.045 0.000 1.015 278 V CB -0.805 30.988 31.823 -0.049 0.000 0.642 278 V HN 0.532 nan 8.190 nan 0.000 0.446 279 R N -1.090 119.386 120.500 -0.041 0.000 2.096 279 R HA -0.186 4.154 4.340 -0.000 0.000 0.235 279 R C 2.398 178.685 176.300 -0.022 0.000 1.127 279 R CA 1.659 57.739 56.100 -0.034 0.000 0.968 279 R CB -0.853 29.426 30.300 -0.034 0.000 0.861 279 R HN 0.581 nan 8.270 nan 0.000 0.440 280 C N 0.686 119.987 119.300 0.001 0.000 2.432 280 C HA -0.055 4.405 4.460 -0.000 0.000 0.277 280 C C 2.592 177.601 174.990 0.033 0.000 1.249 280 C CA 0.818 59.854 59.018 0.030 0.000 1.725 280 C CB -0.641 27.172 27.740 0.121 0.000 2.028 280 C HN 0.457 nan 8.230 nan 0.000 0.477 281 M N 0.126 119.757 119.600 0.052 0.000 2.175 281 M HA -0.131 4.349 4.480 -0.000 0.000 0.264 281 M C 2.255 178.532 176.300 -0.038 0.000 1.063 281 M CA 1.737 57.056 55.300 0.032 0.000 1.119 281 M CB -0.444 32.184 32.600 0.047 0.000 1.377 281 M HN 0.371 nan 8.290 nan 0.000 0.415 282 K N 0.072 120.435 120.400 -0.062 0.000 2.097 282 K HA -0.140 4.180 4.320 -0.000 0.000 0.206 282 K C 1.991 178.589 176.600 -0.003 0.000 1.049 282 K CA 1.350 57.596 56.287 -0.068 0.000 0.933 282 K CB -0.219 32.245 32.500 -0.061 0.000 0.717 282 K HN 0.349 nan 8.250 nan 0.000 0.442 283 M N 0.549 120.146 119.600 -0.005 0.000 2.117 283 M HA -0.151 4.329 4.480 -0.000 0.000 0.262 283 M C 2.110 178.419 176.300 0.016 0.000 1.065 283 M CA 1.709 57.006 55.300 -0.005 0.000 1.114 283 M CB -0.081 32.480 32.600 -0.065 0.000 1.361 283 M HN 0.172 nan 8.290 nan 0.000 0.408 284 A N 0.014 122.839 122.820 0.008 0.000 2.015 284 A HA -0.105 4.215 4.320 -0.000 0.000 0.219 284 A C 1.878 179.496 177.584 0.058 0.000 1.163 284 A CA 1.379 53.438 52.037 0.038 0.000 0.646 284 A CB -0.558 18.472 19.000 0.049 0.000 0.806 284 A HN 0.645 nan 8.150 nan 0.000 0.448 285 M N -0.683 118.940 119.600 0.039 0.000 2.431 285 M HA 0.076 4.556 4.480 -0.000 0.000 0.237 285 M C 0.375 176.694 176.300 0.032 0.000 1.130 285 M CA -0.056 55.261 55.300 0.028 0.000 1.002 285 M CB 0.133 32.718 32.600 -0.024 0.000 1.524 285 M HN 0.394 nan 8.290 nan 0.000 0.482 286 H N 0.622 119.677 119.070 -0.025 0.000 3.026 286 H HA 0.124 4.680 4.556 -0.000 0.000 0.289 286 H C 1.014 176.337 175.328 -0.008 0.000 1.022 286 H CA 1.937 57.971 56.048 -0.023 0.000 1.477 286 H CB 0.383 30.129 29.762 -0.026 0.000 1.510 286 H HN 0.593 nan 8.280 nan 0.000 0.535 287 G N 4.021 112.755 108.800 -0.109 0.000 2.234 287 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.235 287 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.235 287 G C 0.184 175.084 174.900 -0.000 0.000 0.997 287 G CA 0.120 45.217 45.100 -0.005 0.000 0.623 287 G HN 0.613 nan 8.290 nan 0.000 0.514 288 V N 3.366 123.284 119.914 0.006 0.000 2.403 288 V HA 0.324 4.444 4.120 -0.000 0.000 0.265 288 V C 1.097 177.191 176.094 0.001 0.000 1.034 288 V CA 0.633 62.942 62.300 0.016 0.000 1.036 288 V CB 1.051 32.894 31.823 0.034 0.000 1.032 288 V HN 0.526 nan 8.190 nan 0.000 0.478 289 D N 2.557 122.959 120.400 0.003 0.000 2.325 289 D HA 0.006 4.646 4.640 -0.000 0.000 0.234 289 D C 0.685 176.992 176.300 0.011 0.000 1.122 289 D CA -0.010 53.990 54.000 -0.001 0.000 0.850 289 D CB -0.006 40.792 40.800 -0.004 0.000 0.921 289 D HN 0.596 nan 8.370 nan 0.000 0.513 290 T N -2.487 112.081 114.554 0.023 0.000 2.887 290 T HA 0.595 4.945 4.350 -0.000 0.000 0.288 290 T C -2.820 171.911 174.700 0.052 0.000 1.021 290 T CA -1.744 60.375 62.100 0.032 0.000 1.000 290 T CB 2.483 71.370 68.868 0.030 0.000 1.034 290 T HN -0.166 nan 8.240 nan 0.000 0.467 291 P HA 0.347 nan 4.420 nan 0.000 0.277 291 P C -0.477 176.873 177.300 0.082 0.000 1.240 291 P CA -0.696 62.455 63.100 0.085 0.000 0.798 291 P CB 0.604 32.341 31.700 0.063 0.000 0.979 292 I N 3.013 123.651 120.570 0.114 0.000 2.452 292 I HA 0.013 4.183 4.170 -0.000 0.000 0.287 292 I C 1.306 177.411 176.117 -0.019 0.000 1.079 292 I CA 0.362 61.695 61.300 0.055 0.000 1.387 292 I CB 0.003 38.038 38.000 0.057 0.000 1.404 292 I HN 0.326 nan 8.210 nan 0.000 0.522 293 D N 5.173 125.583 120.400 0.016 0.000 2.271 293 D HA -0.065 4.575 4.640 -0.000 0.000 0.206 293 D C -0.026 176.320 176.300 0.077 0.000 0.967 293 D CA 1.183 55.201 54.000 0.030 0.000 0.867 293 D CB 0.460 41.289 40.800 0.048 0.000 0.960 293 D HN 0.525 nan 8.370 nan 0.000 0.509 294 Y N 0.289 120.542 120.300 -0.079 0.000 2.480 294 Y HA 0.435 4.985 4.550 -0.000 0.000 0.329 294 Y C -2.164 173.689 175.900 -0.078 0.000 1.127 294 Y CA -1.114 56.933 58.100 -0.089 0.000 1.037 294 Y CB 1.182 39.590 38.460 -0.086 0.000 1.320 294 Y HN -0.229 nan 8.280 nan 0.000 0.446 295 L N 7.106 127.733 121.223 -0.994 0.000 2.349 295 L HA 0.511 4.851 4.340 -0.000 0.000 0.278 295 L C -1.193 175.068 176.870 -1.016 0.000 0.996 295 L CA -0.559 53.816 54.840 -0.774 0.000 0.825 295 L CB 1.046 42.864 42.059 -0.401 0.000 1.243 295 L HN 0.815 nan 8.230 nan 0.000 0.412 296 N N 3.619 121.884 118.700 -0.725 0.000 2.437 296 N HA 0.137 4.877 4.740 -0.000 0.000 0.243 296 N C -0.415 175.012 175.510 -0.138 0.000 1.041 296 N CA -0.212 52.655 53.050 -0.306 0.000 0.940 296 N CB 1.078 39.559 38.487 -0.009 0.000 1.133 296 N HN 0.729 nan 8.380 nan 0.000 0.506 297 S N 2.707 118.374 115.700 -0.055 0.000 2.614 297 S HA 0.014 4.484 4.470 -0.000 0.000 0.265 297 S C 1.317 175.921 174.600 0.006 0.000 1.303 297 S CA -0.250 57.964 58.200 0.023 0.000 1.000 297 S CB 1.182 64.481 63.200 0.165 0.000 0.935 297 S HN 0.746 nan 8.310 nan 0.000 0.551 298 H N 1.964 120.966 119.070 -0.113 0.000 2.357 298 H HA 0.129 4.685 4.556 -0.000 0.000 0.301 298 H C 1.578 176.825 175.328 -0.135 0.000 1.082 298 H CA 1.322 57.262 56.048 -0.180 0.000 1.342 298 H CB -1.102 28.524 29.762 -0.226 0.000 1.389 298 H HN 1.028 nan 8.280 nan 0.000 0.511 299 G N 0.923 109.658 108.800 -0.109 0.000 2.330 299 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.267 299 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.267 299 G C 0.955 175.618 174.900 -0.395 0.000 0.358 299 G CA 1.009 45.946 45.100 -0.272 0.000 1.074 299 G HN 0.769 nan 8.290 nan 0.000 0.466 300 T N -1.493 112.775 114.554 -0.477 0.000 3.129 300 T HA 0.393 4.743 4.350 -0.000 0.000 0.251 300 T C 1.262 175.862 174.700 -0.165 0.000 1.117 300 T CA 0.907 62.738 62.100 -0.449 0.000 1.034 300 T CB 0.313 68.708 68.868 -0.788 0.000 0.968 300 T HN 1.680 nan 8.240 nan 0.000 0.526 301 S N 0.825 116.421 115.700 -0.174 0.000 3.777 301 S HA -0.130 4.340 4.470 -0.000 0.000 0.296 301 S C 0.232 174.837 174.600 0.009 0.000 1.173 301 S CA 0.520 58.662 58.200 -0.097 0.000 0.824 301 S CB -2.138 61.031 63.200 -0.052 0.000 0.932 301 S HN 1.220 nan 8.310 nan 0.000 0.571 302 T N -0.893 113.675 114.554 0.024 0.000 2.902 302 T HA 0.673 5.023 4.350 -0.000 0.000 0.283 302 T C -1.418 173.328 174.700 0.076 0.000 1.009 302 T CA -1.593 60.565 62.100 0.097 0.000 1.051 302 T CB 1.599 70.559 68.868 0.154 0.000 0.999 302 T HN -0.037 nan 8.240 nan 0.000 0.474 303 P HA -0.115 nan 4.420 nan 0.000 0.213 303 P C 1.618 178.964 177.300 0.077 0.000 1.170 303 P CA 0.705 63.848 63.100 0.073 0.000 0.902 303 P CB -0.023 31.718 31.700 0.069 0.000 0.789 304 V N -0.616 119.350 119.914 0.087 0.000 2.379 304 V HA -0.036 4.084 4.120 -0.000 0.000 0.243 304 V C 2.590 178.743 176.094 0.099 0.000 1.035 304 V CA 2.202 64.552 62.300 0.084 0.000 1.035 304 V CB -1.922 29.948 31.823 0.079 0.000 0.673 304 V HN 0.156 nan 8.190 nan 0.000 0.457 305 G N 0.231 109.104 108.800 0.122 0.000 2.476 305 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.218 305 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.218 305 G C 1.178 176.168 174.900 0.150 0.000 1.164 305 G CA 1.358 46.546 45.100 0.148 0.000 0.768 305 G HN 0.489 nan 8.290 nan 0.000 0.560 306 D N 0.132 120.597 120.400 0.109 0.000 2.103 306 D HA -0.153 4.487 4.640 -0.000 0.000 0.190 306 D C 2.921 179.368 176.300 0.244 0.000 0.997 306 D CA 2.056 56.130 54.000 0.122 0.000 0.833 306 D CB -0.739 40.073 40.800 0.019 0.000 0.961 306 D HN 0.357 nan 8.370 nan 0.000 0.447 307 V N -1.433 118.592 119.914 0.184 0.000 2.667 307 V HA -0.051 4.069 4.120 -0.000 0.000 0.252 307 V C 2.067 178.230 176.094 0.115 0.000 1.065 307 V CA 1.050 63.442 62.300 0.154 0.000 1.083 307 V CB -0.361 31.527 31.823 0.109 0.000 0.692 307 V HN -0.055 nan 8.190 nan 0.000 0.468 308 K N 0.857 121.318 120.400 0.102 0.000 2.026 308 K HA -0.196 4.124 4.320 -0.000 0.000 0.208 308 K C 2.258 178.897 176.600 0.065 0.000 1.048 308 K CA 2.173 58.497 56.287 0.061 0.000 0.929 308 K CB -0.315 32.211 32.500 0.042 0.000 0.713 308 K HN 0.787 nan 8.250 nan 0.000 0.439 309 E N 0.602 120.878 120.200 0.128 0.000 2.106 309 E HA -0.133 4.217 4.350 -0.000 0.000 0.192 309 E C 2.120 178.821 176.600 0.169 0.000 0.984 309 E CA 0.642 57.151 56.400 0.181 0.000 0.806 309 E CB 0.027 29.935 29.700 0.346 0.000 0.750 309 E HN 0.182 nan 8.360 nan 0.000 0.458 310 L N 0.408 121.727 121.223 0.160 0.000 2.083 310 L HA -0.143 4.197 4.340 -0.000 0.000 0.209 310 L C 2.705 179.619 176.870 0.074 0.000 1.083 310 L CA 0.982 55.881 54.840 0.098 0.000 0.752 310 L CB -0.524 41.569 42.059 0.055 0.000 0.899 310 L HN 0.231 nan 8.230 nan 0.000 0.433 311 A N 0.155 123.014 122.820 0.066 0.000 1.902 311 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 311 A C 2.534 180.146 177.584 0.047 0.000 1.181 311 A CA 1.773 53.837 52.037 0.045 0.000 0.623 311 A CB -0.628 18.391 19.000 0.032 0.000 0.818 311 A HN 0.406 nan 8.150 nan 0.000 0.443 312 A N -0.155 122.694 122.820 0.048 0.000 1.898 312 A HA -0.047 4.273 4.320 -0.000 0.000 0.216 312 A C 2.111 179.752 177.584 0.095 0.000 1.181 312 A CA 1.435 53.496 52.037 0.040 0.000 0.620 312 A CB -0.578 18.426 19.000 0.006 0.000 0.819 312 A HN 0.493 nan 8.150 nan 0.000 0.442 313 I N -0.787 119.875 120.570 0.154 0.000 2.226 313 I HA -0.288 3.882 4.170 -0.000 0.000 0.245 313 I C 2.777 179.060 176.117 0.276 0.000 1.100 313 I CA 1.392 62.853 61.300 0.269 0.000 1.374 313 I CB -0.329 37.790 38.000 0.198 0.000 1.057 313 I HN 0.302 nan 8.210 nan 0.000 0.413 314 R N 0.366 120.953 120.500 0.145 0.000 2.081 314 R HA -0.224 4.116 4.340 -0.000 0.000 0.235 314 R C 2.239 178.596 176.300 0.095 0.000 1.131 314 R CA 1.643 57.810 56.100 0.113 0.000 0.960 314 R CB -0.379 29.956 30.300 0.059 0.000 0.856 314 R HN 0.436 nan 8.270 nan 0.000 0.436 315 E N 0.503 120.739 120.200 0.059 0.000 2.110 315 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 315 E C 1.857 178.445 176.600 -0.019 0.000 0.988 315 E CA 1.155 57.565 56.400 0.017 0.000 0.804 315 E CB 0.236 29.936 29.700 0.000 0.000 0.745 315 E HN 0.106 nan 8.360 nan 0.000 0.458 316 V N 0.020 119.908 119.914 -0.045 0.000 2.323 316 V HA -0.186 3.934 4.120 -0.000 0.000 0.244 316 V C 1.717 177.599 176.094 -0.352 0.000 1.041 316 V CA 1.607 63.761 62.300 -0.244 0.000 1.025 316 V CB -0.415 31.170 31.823 -0.397 0.000 0.656 316 V HN 0.277 nan 8.190 nan 0.000 0.451 317 F N -0.173 119.776 119.950 -0.002 0.000 2.746 317 F HA 0.478 5.005 4.527 -0.000 0.000 0.297 317 F C 1.884 177.680 175.800 -0.007 0.000 1.113 317 F CA 0.643 58.640 58.000 -0.005 0.000 1.367 317 F CB -0.424 38.572 39.000 -0.008 0.000 1.111 317 F HN 0.265 nan 8.300 nan 0.000 0.590 318 G N 0.984 109.870 108.800 0.143 0.000 2.620 318 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.315 318 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.315 318 G C 0.362 175.311 174.900 0.082 0.000 1.179 318 G CA 0.818 45.967 45.100 0.082 0.000 0.971 318 G HN 0.269 nan 8.290 nan 0.000 0.544 319 D N 1.551 121.989 120.400 0.064 0.000 2.427 319 D HA 0.321 4.961 4.640 -0.000 0.000 0.224 319 D C 0.926 177.256 176.300 0.049 0.000 1.157 319 D CA 0.218 54.245 54.000 0.045 0.000 0.828 319 D CB 0.508 41.325 40.800 0.028 0.000 0.974 319 D HN 0.285 nan 8.370 nan 0.000 0.498 320 K N 0.545 120.997 120.400 0.087 0.000 2.972 320 K HA 0.137 4.457 4.320 -0.000 0.000 0.209 320 K C -0.072 176.567 176.600 0.065 0.000 1.128 320 K CA -0.204 56.133 56.287 0.084 0.000 1.024 320 K CB 0.746 33.318 32.500 0.119 0.000 0.754 320 K HN 0.030 nan 8.250 nan 0.000 0.454 321 S N 2.040 117.740 115.700 0.001 0.000 2.560 321 S HA 0.266 4.736 4.470 -0.000 0.000 0.284 321 S C -1.617 172.817 174.600 -0.278 0.000 1.327 321 S CA -0.740 57.355 58.200 -0.175 0.000 1.055 321 S CB 0.254 63.392 63.200 -0.103 0.000 0.868 321 S HN 0.132 nan 8.310 nan 0.000 0.506 322 P HA 0.424 nan 4.420 nan 0.000 0.280 322 P C -0.555 176.611 177.300 -0.225 0.000 1.272 322 P CA -0.731 62.158 63.100 -0.352 0.000 0.819 322 P CB 0.676 32.076 31.700 -0.500 0.000 1.122 323 A N 1.131 123.888 122.820 -0.106 0.000 2.498 323 A HA 0.411 4.731 4.320 -0.000 0.000 0.239 323 A C 0.257 177.818 177.584 -0.038 0.000 1.068 323 A CA 0.073 52.100 52.037 -0.016 0.000 0.766 323 A CB -0.752 18.300 19.000 0.087 0.000 1.003 323 A HN 0.470 nan 8.150 nan 0.000 0.497 324 I N 1.409 121.965 120.570 -0.024 0.000 2.647 324 I HA 0.535 4.705 4.170 -0.000 0.000 0.295 324 I C 0.022 176.199 176.117 0.101 0.000 1.078 324 I CA -0.217 61.043 61.300 -0.066 0.000 1.048 324 I CB 2.571 40.492 38.000 -0.132 0.000 1.239 324 I HN 0.779 nan 8.210 nan 0.000 0.421 325 S N 3.746 119.557 115.700 0.185 0.000 2.537 325 S HA 0.847 5.317 4.470 -0.000 0.000 0.270 325 S C -1.107 173.636 174.600 0.238 0.000 1.142 325 S CA -0.777 57.584 58.200 0.268 0.000 0.870 325 S CB 2.012 65.398 63.200 0.309 0.000 1.112 325 S HN 0.795 nan 8.310 nan 0.000 0.466 326 A N 2.199 125.148 122.820 0.216 0.000 2.316 326 A HA 0.591 4.911 4.320 -0.000 0.000 0.324 326 A C 1.156 178.769 177.584 0.049 0.000 1.375 326 A CA -0.213 51.882 52.037 0.096 0.000 0.882 326 A CB -0.169 18.803 19.000 -0.045 0.000 1.152 326 A HN 1.367 nan 8.150 nan 0.000 0.512 327 T N -0.393 114.201 114.554 0.067 0.000 2.977 327 T HA -0.074 4.276 4.350 -0.000 0.000 0.271 327 T C 1.672 176.360 174.700 -0.020 0.000 1.105 327 T CA 1.367 63.469 62.100 0.004 0.000 1.116 327 T CB -0.219 68.645 68.868 -0.007 0.000 0.878 327 T HN 0.838 nan 8.240 nan 0.000 0.509 328 A N 1.518 124.333 122.820 -0.007 0.000 2.070 328 A HA 0.356 4.676 4.320 -0.000 0.000 0.220 328 A C 2.737 180.303 177.584 -0.030 0.000 1.159 328 A CA 1.385 53.413 52.037 -0.015 0.000 0.656 328 A CB -1.171 17.786 19.000 -0.071 0.000 0.800 328 A HN 0.712 nan 8.150 nan 0.000 0.453 329 A N -0.731 122.059 122.820 -0.049 0.000 1.972 329 A HA -0.088 4.232 4.320 -0.000 0.000 0.219 329 A C 2.183 179.747 177.584 -0.033 0.000 1.169 329 A CA 1.792 53.800 52.037 -0.047 0.000 0.635 329 A CB -0.400 18.575 19.000 -0.043 0.000 0.810 329 A HN 0.557 nan 8.150 nan 0.000 0.446 330 M N -1.245 118.330 119.600 -0.041 0.000 2.412 330 M HA -0.047 4.433 4.480 -0.000 0.000 0.263 330 M C 2.356 178.632 176.300 -0.039 0.000 1.122 330 M CA 1.714 56.984 55.300 -0.050 0.000 1.179 330 M CB -0.112 32.433 32.600 -0.092 0.000 1.335 330 M HN 0.593 nan 8.290 nan 0.000 0.465 331 T N -2.262 112.266 114.554 -0.043 0.000 3.054 331 T HA 0.408 4.758 4.350 -0.000 0.000 0.259 331 T C 1.030 175.748 174.700 0.031 0.000 1.092 331 T CA 0.439 62.532 62.100 -0.010 0.000 1.121 331 T CB -0.140 68.740 68.868 0.019 0.000 0.912 331 T HN 0.565 nan 8.240 nan 0.000 0.489 332 G N 0.949 109.778 108.800 0.048 0.000 2.728 332 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.294 332 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.294 332 G C -0.852 174.114 174.900 0.110 0.000 1.342 332 G CA -0.331 44.827 45.100 0.097 0.000 0.866 332 G HN 0.922 nan 8.290 nan 0.000 0.534 333 H N 0.005 119.081 119.070 0.010 0.000 2.581 333 H HA 0.622 5.178 4.556 -0.000 0.000 0.308 333 H C 1.386 176.635 175.328 -0.132 0.000 1.040 333 H CA 0.328 56.286 56.048 -0.150 0.000 1.231 333 H CB 0.941 30.446 29.762 -0.429 0.000 1.396 333 H HN 0.897 nan 8.280 nan 0.000 0.467 334 S N 5.278 120.726 115.700 -0.419 0.000 2.763 334 S HA 0.137 4.607 4.470 -0.000 0.000 0.237 334 S C 1.089 175.400 174.600 -0.482 0.000 0.966 334 S CA -0.049 57.941 58.200 -0.351 0.000 1.017 334 S CB -0.946 62.129 63.200 -0.208 0.000 0.780 334 S HN 0.766 nan 8.310 nan 0.000 0.476 335 L N -0.104 120.553 121.223 -0.943 0.000 4.990 335 L HA -0.361 3.979 4.340 -0.000 0.000 0.053 335 L C 2.294 178.963 176.870 -0.336 0.000 3.174 335 L CA 1.527 55.970 54.840 -0.663 0.000 1.483 335 L CB -2.029 39.833 42.059 -0.328 0.000 2.968 335 L HN 0.457 nan 8.230 nan 0.000 0.908 336 G N -1.147 107.560 108.800 -0.155 0.000 2.470 336 G HA2 0.047 4.007 3.960 -0.000 0.000 0.220 336 G HA3 0.047 4.007 3.960 -0.000 0.000 0.220 336 G C 1.250 176.101 174.900 -0.082 0.000 1.121 336 G CA 1.212 46.271 45.100 -0.069 0.000 0.766 336 G HN 0.847 nan 8.290 nan 0.000 0.553 337 A N 0.268 123.016 122.820 -0.122 0.000 2.238 337 A HA 0.656 4.976 4.320 -0.000 0.000 0.210 337 A C 2.537 180.025 177.584 -0.160 0.000 1.179 337 A CA 1.248 53.216 52.037 -0.116 0.000 0.827 337 A CB -0.187 18.755 19.000 -0.097 0.000 0.856 337 A HN 0.506 nan 8.150 nan 0.000 0.488 338 A N 0.179 122.880 122.820 -0.197 0.000 1.908 338 A HA 0.079 4.399 4.320 -0.000 0.000 0.218 338 A C 2.346 179.850 177.584 -0.133 0.000 1.181 338 A CA 1.937 53.872 52.037 -0.169 0.000 0.627 338 A CB -1.321 17.573 19.000 -0.176 0.000 0.818 338 A HN 0.681 nan 8.150 nan 0.000 0.445 339 G N -0.834 107.898 108.800 -0.115 0.000 2.491 339 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.218 339 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.218 339 G C 1.665 176.473 174.900 -0.154 0.000 1.180 339 G CA 1.423 46.451 45.100 -0.121 0.000 0.774 339 G HN 0.636 nan 8.290 nan 0.000 0.562 340 V N 0.105 119.923 119.914 -0.160 0.000 2.453 340 V HA -0.094 4.026 4.120 -0.000 0.000 0.247 340 V C 2.731 178.659 176.094 -0.277 0.000 1.048 340 V CA 2.419 64.608 62.300 -0.185 0.000 1.049 340 V CB -0.225 31.509 31.823 -0.148 0.000 0.672 340 V HN 0.519 nan 8.190 nan 0.000 0.457 341 Q N -0.404 119.194 119.800 -0.338 0.000 2.084 341 Q HA -0.250 4.090 4.340 -0.000 0.000 0.202 341 Q C 2.165 177.569 176.000 -0.992 0.000 0.978 341 Q CA 2.136 57.568 55.803 -0.619 0.000 0.844 341 Q CB -0.126 28.308 28.738 -0.506 0.000 0.898 341 Q HN 0.703 nan 8.270 nan 0.000 0.426 342 E N 0.375 120.254 120.200 -0.536 0.000 2.208 342 E HA -0.114 4.236 4.350 -0.000 0.000 0.193 342 E C 1.848 178.343 176.600 -0.174 0.000 0.988 342 E CA 0.759 56.994 56.400 -0.274 0.000 0.828 342 E CB -0.011 29.664 29.700 -0.041 0.000 0.763 342 E HN 0.342 nan 8.360 nan 0.000 0.478 343 A N 0.828 123.527 122.820 -0.201 0.000 1.898 343 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 343 A C 2.124 179.619 177.584 -0.149 0.000 1.181 343 A CA 0.959 52.914 52.037 -0.136 0.000 0.620 343 A CB -0.445 18.470 19.000 -0.143 0.000 0.819 343 A HN 0.158 nan 8.150 nan 0.000 0.442 344 I N -1.483 118.937 120.570 -0.251 0.000 2.315 344 I HA -0.246 3.924 4.170 -0.000 0.000 0.248 344 I C 2.257 178.328 176.117 -0.077 0.000 1.117 344 I CA 1.120 62.286 61.300 -0.224 0.000 1.404 344 I CB -0.372 37.459 38.000 -0.281 0.000 1.071 344 I HN 0.372 nan 8.210 nan 0.000 0.419 345 Y N 0.728 121.010 120.300 -0.030 0.000 2.181 345 Y HA -0.189 4.361 4.550 -0.000 0.000 0.288 345 Y C 2.925 178.810 175.900 -0.024 0.000 1.146 345 Y CA 0.814 58.910 58.100 -0.007 0.000 1.164 345 Y CB -1.323 37.142 38.460 0.008 0.000 0.982 345 Y HN 0.101 nan 8.280 nan 0.000 0.515 346 S N 0.077 115.867 115.700 0.149 0.000 2.383 346 S HA -0.130 4.340 4.470 -0.000 0.000 0.227 346 S C 2.159 176.786 174.600 0.044 0.000 1.026 346 S CA 1.072 59.347 58.200 0.125 0.000 0.981 346 S CB -0.604 62.681 63.200 0.141 0.000 0.818 346 S HN 0.352 nan 8.310 nan 0.000 0.472 347 L N 0.948 122.180 121.223 0.014 0.000 2.093 347 L HA -0.048 4.292 4.340 -0.000 0.000 0.208 347 L C 2.181 179.098 176.870 0.078 0.000 1.085 347 L CA 0.915 55.758 54.840 0.005 0.000 0.755 347 L CB -0.502 41.480 42.059 -0.129 0.000 0.904 347 L HN 0.290 nan 8.230 nan 0.000 0.435 348 L N -1.140 120.151 121.223 0.113 0.000 2.093 348 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 348 L C 2.627 179.665 176.870 0.280 0.000 1.085 348 L CA 1.216 56.239 54.840 0.305 0.000 0.755 348 L CB -0.326 41.932 42.059 0.331 0.000 0.904 348 L HN 0.309 nan 8.230 nan 0.000 0.435 349 M N -0.813 118.734 119.600 -0.089 0.000 2.117 349 M HA -0.229 4.251 4.480 -0.000 0.000 0.262 349 M C 2.301 178.488 176.300 -0.189 0.000 1.065 349 M CA 1.604 56.570 55.300 -0.557 0.000 1.114 349 M CB -0.302 31.807 32.600 -0.819 0.000 1.361 349 M HN 0.217 nan 8.290 nan 0.000 0.408 350 L N 0.578 121.767 121.223 -0.057 0.000 2.027 350 L HA -0.163 4.177 4.340 -0.000 0.000 0.206 350 L C 2.234 179.129 176.870 0.041 0.000 1.074 350 L CA 2.019 56.862 54.840 0.005 0.000 0.745 350 L CB -0.595 41.486 42.059 0.037 0.000 0.898 350 L HN 0.216 nan 8.230 nan 0.000 0.433 351 E N -1.256 118.992 120.200 0.079 0.000 2.106 351 E HA -0.209 4.141 4.350 -0.000 0.000 0.192 351 E C 1.775 178.279 176.600 -0.160 0.000 0.984 351 E CA 1.537 57.935 56.400 -0.003 0.000 0.806 351 E CB -0.124 29.630 29.700 0.090 0.000 0.750 351 E HN 0.640 nan 8.360 nan 0.000 0.458 352 H N -1.229 117.970 119.070 0.214 0.000 2.586 352 H HA 0.276 4.832 4.556 -0.000 0.000 0.273 352 H C 0.539 176.024 175.328 0.262 0.000 0.997 352 H CA 0.544 56.738 56.048 0.244 0.000 1.177 352 H CB 0.591 30.544 29.762 0.319 0.000 1.471 352 H HN 0.270 nan 8.280 nan 0.000 0.538 353 G N 2.025 110.970 108.800 0.243 0.000 2.367 353 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.295 353 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.295 353 G C -0.226 174.819 174.900 0.243 0.000 1.019 353 G CA 0.761 45.958 45.100 0.161 0.000 1.224 353 G HN 0.522 nan 8.290 nan 0.000 0.510 354 F N -1.710 118.228 119.950 -0.020 0.000 2.713 354 F HA 0.809 5.336 4.527 -0.000 0.000 0.311 354 F C -0.912 174.791 175.800 -0.161 0.000 1.141 354 F CA -2.183 55.779 58.000 -0.063 0.000 0.939 354 F CB 1.172 40.149 39.000 -0.039 0.000 1.325 354 F HN 0.074 nan 8.300 nan 0.000 0.453 355 I N 2.695 123.088 120.570 -0.295 0.000 2.389 355 I HA 0.610 4.780 4.170 -0.000 0.000 0.288 355 I C 0.057 176.032 176.117 -0.236 0.000 0.999 355 I CA -1.119 59.851 61.300 -0.550 0.000 1.129 355 I CB 1.727 39.522 38.000 -0.342 0.000 1.288 355 I HN 0.967 nan 8.210 nan 0.000 0.444 356 A N 9.241 131.847 122.820 -0.357 0.000 2.425 356 A HA 0.465 4.785 4.320 -0.000 0.000 0.249 356 A C -2.322 175.267 177.584 0.007 0.000 1.084 356 A CA -1.018 51.017 52.037 -0.003 0.000 0.781 356 A CB -0.340 18.639 19.000 -0.037 0.000 1.019 356 A HN 0.426 nan 8.150 nan 0.000 0.490 357 P HA 0.115 nan 4.420 nan 0.000 0.275 357 P C -0.328 177.005 177.300 0.055 0.000 1.228 357 P CA -0.188 62.941 63.100 0.048 0.000 0.786 357 P CB 1.154 32.876 31.700 0.038 0.000 0.927 358 S N 2.505 118.254 115.700 0.080 0.000 2.415 358 S HA 0.369 4.839 4.470 -0.000 0.000 0.313 358 S C 0.632 175.274 174.600 0.069 0.000 1.067 358 S CA -0.796 57.465 58.200 0.102 0.000 1.099 358 S CB -1.287 62.024 63.200 0.184 0.000 0.991 358 S HN 0.336 nan 8.310 nan 0.000 0.491 359 I N 1.976 122.567 120.570 0.034 0.000 3.244 359 I HA 0.496 4.666 4.170 -0.000 0.000 0.314 359 I C 0.365 176.485 176.117 0.006 0.000 1.043 359 I CA -0.667 60.642 61.300 0.016 0.000 1.099 359 I CB 0.295 38.293 38.000 -0.003 0.000 1.449 359 I HN 0.492 nan 8.210 nan 0.000 0.625 360 N N 0.838 119.534 118.700 -0.007 0.000 2.714 360 N HA -0.180 4.560 4.740 -0.000 0.000 0.250 360 N C -0.611 174.895 175.510 -0.005 0.000 1.117 360 N CA 0.942 53.976 53.050 -0.027 0.000 0.719 360 N CB -1.528 36.915 38.487 -0.073 0.000 1.081 360 N HN 0.596 nan 8.380 nan 0.000 0.557 361 I N 1.130 121.718 120.570 0.029 0.000 2.276 361 I HA 0.059 4.229 4.170 -0.000 0.000 0.290 361 I C 1.410 177.557 176.117 0.051 0.000 1.109 361 I CA -0.124 61.212 61.300 0.059 0.000 1.229 361 I CB 0.424 38.477 38.000 0.089 0.000 1.452 361 I HN 0.024 nan 8.210 nan 0.000 0.497 362 E N 3.846 124.076 120.200 0.051 0.000 2.250 362 E HA -0.006 4.344 4.350 -0.000 0.000 0.192 362 E C 0.494 177.136 176.600 0.071 0.000 0.986 362 E CA 0.548 56.976 56.400 0.047 0.000 0.849 362 E CB 0.528 30.245 29.700 0.029 0.000 0.797 362 E HN 0.524 nan 8.360 nan 0.000 0.482 363 E N 1.239 121.503 120.200 0.106 0.000 2.432 363 E HA 0.134 4.484 4.350 -0.000 0.000 0.272 363 E C -1.438 175.226 176.600 0.107 0.000 0.937 363 E CA -0.529 55.941 56.400 0.116 0.000 0.812 363 E CB 1.046 30.855 29.700 0.182 0.000 1.377 363 E HN -0.068 nan 8.360 nan 0.000 0.399 364 L N 4.048 125.319 121.223 0.079 0.000 2.499 364 L HA 0.094 4.434 4.340 -0.000 0.000 0.273 364 L C 0.228 177.138 176.870 0.066 0.000 1.195 364 L CA 0.606 55.491 54.840 0.075 0.000 0.882 364 L CB 0.620 42.705 42.059 0.043 0.000 1.133 364 L HN 0.557 nan 8.230 nan 0.000 0.483 365 D N 3.452 123.902 120.400 0.082 0.000 2.455 365 D HA -0.082 4.558 4.640 -0.000 0.000 0.241 365 D C 0.975 177.299 176.300 0.039 0.000 1.138 365 D CA 0.476 54.514 54.000 0.063 0.000 0.877 365 D CB 0.941 41.798 40.800 0.095 0.000 1.187 365 D HN 0.819 nan 8.370 nan 0.000 0.451 366 E N 2.241 122.458 120.200 0.027 0.000 2.209 366 E HA -0.258 4.092 4.350 -0.000 0.000 0.196 366 E C 1.058 177.668 176.600 0.016 0.000 0.993 366 E CA 1.053 57.464 56.400 0.018 0.000 0.819 366 E CB -0.139 29.570 29.700 0.015 0.000 0.745 366 E HN 0.556 nan 8.360 nan 0.000 0.477 367 Q N -0.081 119.735 119.800 0.025 0.000 2.482 367 Q HA 0.104 4.444 4.340 -0.000 0.000 0.209 367 Q C 1.350 177.356 176.000 0.010 0.000 0.961 367 Q CA 0.652 56.470 55.803 0.024 0.000 0.945 367 Q CB 0.375 29.137 28.738 0.041 0.000 1.012 367 Q HN 0.449 nan 8.270 nan 0.000 0.515 368 A N 0.289 123.105 122.820 -0.006 0.000 2.390 368 A HA 0.452 4.772 4.320 -0.000 0.000 0.232 368 A C 0.818 178.361 177.584 -0.068 0.000 1.233 368 A CA -0.101 51.895 52.037 -0.070 0.000 0.907 368 A CB 0.281 19.210 19.000 -0.119 0.000 0.967 368 A HN 0.254 nan 8.150 nan 0.000 0.512 369 A N -1.013 121.788 122.820 -0.031 0.000 2.483 369 A HA 0.449 4.769 4.320 -0.000 0.000 0.238 369 A C 1.651 179.217 177.584 -0.029 0.000 1.070 369 A CA 0.694 52.716 52.037 -0.025 0.000 0.770 369 A CB -0.451 18.544 19.000 -0.009 0.000 1.008 369 A HN 1.922 nan 8.150 nan 0.000 0.497 370 G N 0.231 109.015 108.800 -0.028 0.000 2.199 370 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.254 370 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.254 370 G C 0.074 174.951 174.900 -0.039 0.000 0.982 370 G CA 0.500 45.584 45.100 -0.025 0.000 0.632 370 G HN 0.820 nan 8.290 nan 0.000 0.529 371 L N 0.295 121.481 121.223 -0.062 0.000 2.334 371 L HA 0.499 4.839 4.340 -0.000 0.000 0.275 371 L C 0.390 177.207 176.870 -0.088 0.000 1.036 371 L CA -1.090 53.698 54.840 -0.087 0.000 0.807 371 L CB 1.473 43.454 42.059 -0.129 0.000 1.231 371 L HN 0.103 nan 8.230 nan 0.000 0.438 372 N N 3.101 121.750 118.700 -0.084 0.000 2.807 372 N HA 0.147 4.887 4.740 -0.000 0.000 0.259 372 N C -0.761 174.709 175.510 -0.067 0.000 1.149 372 N CA -0.296 52.717 53.050 -0.062 0.000 1.042 372 N CB 0.036 38.496 38.487 -0.045 0.000 1.367 372 N HN 0.304 nan 8.380 nan 0.000 0.516 373 I N 3.492 124.013 120.570 -0.083 0.000 2.308 373 I HA 0.107 4.277 4.170 -0.000 0.000 0.293 373 I C 0.145 176.260 176.117 -0.003 0.000 1.078 373 I CA -0.665 60.588 61.300 -0.078 0.000 1.292 373 I CB 0.385 38.298 38.000 -0.144 0.000 1.423 373 I HN 0.071 nan 8.210 nan 0.000 0.493 374 V N 7.308 127.245 119.914 0.038 0.000 2.446 374 V HA 0.045 4.165 4.120 -0.000 0.000 0.276 374 V C 1.484 177.612 176.094 0.057 0.000 1.030 374 V CA 0.230 62.559 62.300 0.049 0.000 1.033 374 V CB 0.488 32.349 31.823 0.065 0.000 0.993 374 V HN 0.905 nan 8.190 nan 0.000 0.477 375 T N 0.709 115.288 114.554 0.042 0.000 3.054 375 T HA 0.248 4.598 4.350 -0.000 0.000 0.255 375 T C 0.247 174.967 174.700 0.033 0.000 1.035 375 T CA -0.191 61.934 62.100 0.043 0.000 0.941 375 T CB -0.080 68.811 68.868 0.038 0.000 1.026 375 T HN 0.809 nan 8.240 nan 0.000 0.533 376 E N 0.588 120.807 120.200 0.031 0.000 2.314 376 E HA 0.443 4.793 4.350 -0.000 0.000 0.272 376 E C -1.385 175.237 176.600 0.036 0.000 0.884 376 E CA -1.063 55.352 56.400 0.026 0.000 0.753 376 E CB 1.131 30.843 29.700 0.019 0.000 1.213 376 E HN -0.116 nan 8.360 nan 0.000 0.432 377 T N 2.526 117.104 114.554 0.040 0.000 2.866 377 T HA 0.094 4.444 4.350 -0.000 0.000 0.293 377 T C -0.407 174.333 174.700 0.068 0.000 1.005 377 T CA 0.451 62.596 62.100 0.075 0.000 1.162 377 T CB 0.173 69.068 68.868 0.044 0.000 0.968 377 T HN 0.445 nan 8.240 nan 0.000 0.530 378 T N 4.169 118.779 114.554 0.094 0.000 2.840 378 T HA 0.231 4.581 4.350 -0.000 0.000 0.287 378 T C -0.491 174.269 174.700 0.100 0.000 0.991 378 T CA -0.924 61.216 62.100 0.067 0.000 0.964 378 T CB 1.128 70.016 68.868 0.034 0.000 0.954 378 T HN 0.453 nan 8.240 nan 0.000 0.438 379 D N 3.029 123.480 120.400 0.086 0.000 2.348 379 D HA 0.339 4.979 4.640 -0.000 0.000 0.253 379 D C 0.346 176.686 176.300 0.067 0.000 1.161 379 D CA 0.168 54.230 54.000 0.103 0.000 0.876 379 D CB 1.077 41.917 40.800 0.067 0.000 1.160 379 D HN 0.402 nan 8.370 nan 0.000 0.459 380 R N 1.481 122.021 120.500 0.066 0.000 2.579 380 R HA 0.087 4.427 4.340 -0.000 0.000 0.260 380 R C -1.231 175.088 176.300 0.031 0.000 1.103 380 R CA -0.626 55.494 56.100 0.034 0.000 0.942 380 R CB 1.481 31.788 30.300 0.012 0.000 1.251 380 R HN 0.316 nan 8.270 nan 0.000 0.450 381 E N 5.637 125.853 120.200 0.027 0.000 1.932 381 E HA 0.150 4.500 4.350 -0.000 0.000 0.275 381 E C -0.640 175.970 176.600 0.016 0.000 1.159 381 E CA -0.258 56.157 56.400 0.024 0.000 0.905 381 E CB 0.403 30.116 29.700 0.021 0.000 1.059 381 E HN 0.374 nan 8.360 nan 0.000 0.400 382 L N 3.351 124.580 121.223 0.011 0.000 2.399 382 L HA 0.251 4.591 4.340 -0.000 0.000 0.266 382 L C 1.043 177.925 176.870 0.019 0.000 1.114 382 L CA -0.360 54.489 54.840 0.013 0.000 0.804 382 L CB 1.406 43.465 42.059 -0.000 0.000 1.146 382 L HN 0.527 nan 8.230 nan 0.000 0.451 383 T N -1.454 113.116 114.554 0.026 0.000 3.075 383 T HA 0.088 4.438 4.350 -0.000 0.000 0.251 383 T C 0.249 174.968 174.700 0.031 0.000 0.979 383 T CA 0.292 62.406 62.100 0.024 0.000 1.033 383 T CB 0.673 69.553 68.868 0.021 0.000 1.104 383 T HN 0.613 nan 8.240 nan 0.000 0.473 384 T N 2.851 117.430 114.554 0.041 0.000 2.879 384 T HA 0.679 5.029 4.350 -0.000 0.000 0.290 384 T C -0.796 173.941 174.700 0.062 0.000 0.993 384 T CA -0.699 61.430 62.100 0.048 0.000 0.975 384 T CB 2.070 70.967 68.868 0.050 0.000 0.981 384 T HN 0.219 nan 8.240 nan 0.000 0.439 385 V N 1.135 121.089 119.914 0.065 0.000 2.914 385 V HA 0.877 4.997 4.120 -0.000 0.000 0.314 385 V C -0.648 175.466 176.094 0.033 0.000 1.084 385 V CA -1.225 61.120 62.300 0.075 0.000 0.963 385 V CB 2.137 34.049 31.823 0.148 0.000 1.025 385 V HN 0.985 nan 8.190 nan 0.000 0.432 386 M N 2.901 122.485 119.600 -0.026 0.000 2.530 386 M HA 0.772 5.252 4.480 -0.000 0.000 0.307 386 M C -1.013 175.237 176.300 -0.084 0.000 1.161 386 M CA -0.284 55.004 55.300 -0.021 0.000 0.903 386 M CB 2.232 34.851 32.600 0.031 0.000 1.711 386 M HN 0.987 nan 8.290 nan 0.000 0.451 387 S N 3.030 118.696 115.700 -0.057 0.000 2.614 387 S HA 0.580 5.050 4.470 -0.000 0.000 0.288 387 S C -1.547 172.981 174.600 -0.121 0.000 1.137 387 S CA -0.794 57.353 58.200 -0.088 0.000 0.992 387 S CB 1.035 64.197 63.200 -0.063 0.000 1.026 387 S HN 0.851 nan 8.310 nan 0.000 0.486 388 N N 2.097 120.684 118.700 -0.187 0.000 2.443 388 N HA 0.572 5.312 4.740 -0.000 0.000 0.295 388 N C -1.299 173.884 175.510 -0.544 0.000 1.076 388 N CA -0.425 52.376 53.050 -0.415 0.000 0.919 388 N CB 1.863 40.040 38.487 -0.517 0.000 1.176 388 N HN 0.482 nan 8.380 nan 0.000 0.487 389 S N 1.397 116.628 115.700 -0.782 0.000 2.736 389 S HA 0.548 5.018 4.470 -0.000 0.000 0.285 389 S C -1.368 172.778 174.600 -0.757 0.000 1.163 389 S CA -0.599 57.262 58.200 -0.565 0.000 1.025 389 S CB 0.364 63.407 63.200 -0.263 0.000 1.030 389 S HN 0.286 nan 8.310 nan 0.000 0.486 390 F N 1.449 121.006 119.950 -0.656 0.000 2.507 390 F HA 0.752 5.279 4.527 -0.000 0.000 0.328 390 F C 0.737 176.271 175.800 -0.442 0.000 1.136 390 F CA -0.887 56.800 58.000 -0.521 0.000 0.930 390 F CB 1.702 40.397 39.000 -0.509 0.000 1.166 390 F HN 0.639 nan 8.300 nan 0.000 0.436 391 G N 1.774 110.607 108.800 0.055 0.000 2.568 391 G HA2 0.578 4.538 3.960 -0.000 0.000 0.313 391 G HA3 0.578 4.538 3.960 -0.000 0.000 0.313 391 G C -0.826 174.206 174.900 0.221 0.000 1.227 391 G CA -0.853 44.286 45.100 0.065 0.000 0.979 391 G HN 0.454 nan 8.290 nan 0.000 0.486 392 F N -0.151 119.893 119.950 0.157 0.000 2.589 392 F HA 0.272 4.799 4.527 -0.000 0.000 0.352 392 F C 1.705 177.567 175.800 0.104 0.000 1.168 392 F CA 1.244 59.327 58.000 0.138 0.000 1.353 392 F CB 0.797 39.897 39.000 0.166 0.000 1.116 392 F HN 0.828 nan 8.300 nan 0.000 0.608 393 G N 0.935 109.897 108.800 0.271 0.000 2.141 393 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.242 393 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.242 393 G C 0.693 175.665 174.900 0.119 0.000 0.982 393 G CA 0.098 45.290 45.100 0.154 0.000 0.662 393 G HN 1.783 nan 8.290 nan 0.000 0.527 394 G N -1.103 107.777 108.800 0.134 0.000 2.273 394 G HA2 0.053 4.013 3.960 -0.000 0.000 0.280 394 G HA3 0.053 4.013 3.960 -0.000 0.000 0.280 394 G C 0.402 175.357 174.900 0.092 0.000 1.047 394 G CA 1.416 46.567 45.100 0.084 0.000 0.869 394 G HN 1.959 nan 8.290 nan 0.000 0.502 395 T N 0.393 115.034 114.554 0.146 0.000 2.799 395 T HA 0.567 4.917 4.350 -0.000 0.000 0.286 395 T C 0.003 174.858 174.700 0.258 0.000 0.973 395 T CA -0.566 61.649 62.100 0.192 0.000 1.035 395 T CB 0.339 69.337 68.868 0.217 0.000 0.932 395 T HN 0.321 nan 8.240 nan 0.000 0.469 396 N N 2.829 121.700 118.700 0.284 0.000 2.269 396 N HA 0.705 5.445 4.740 -0.000 0.000 0.304 396 N C -1.316 174.319 175.510 0.207 0.000 1.072 396 N CA -0.626 52.634 53.050 0.349 0.000 0.802 396 N CB 2.134 40.802 38.487 0.301 0.000 1.348 396 N HN 0.747 nan 8.380 nan 0.000 0.484 397 A N 0.745 123.571 122.820 0.010 0.000 2.455 397 A HA 0.772 5.092 4.320 -0.000 0.000 0.300 397 A C -0.851 176.673 177.584 -0.100 0.000 1.040 397 A CA -0.483 51.458 52.037 -0.160 0.000 0.697 397 A CB 1.385 20.029 19.000 -0.594 0.000 1.265 397 A HN 0.450 nan 8.150 nan 0.000 0.407 398 T N 2.163 116.720 114.554 0.005 0.000 2.916 398 T HA 0.621 4.971 4.350 -0.000 0.000 0.298 398 T C -0.928 173.828 174.700 0.094 0.000 1.031 398 T CA -0.258 61.849 62.100 0.011 0.000 0.993 398 T CB 0.984 69.882 68.868 0.050 0.000 1.045 398 T HN 0.510 nan 8.240 nan 0.000 0.454 399 L N 2.536 123.788 121.223 0.049 0.000 2.365 399 L HA 0.797 5.137 4.340 -0.000 0.000 0.273 399 L C -0.895 176.002 176.870 0.045 0.000 1.000 399 L CA -1.141 53.739 54.840 0.068 0.000 0.819 399 L CB 2.144 44.207 42.059 0.007 0.000 1.284 399 L HN 0.337 nan 8.230 nan 0.000 0.418 400 V N 3.695 123.645 119.914 0.061 0.000 2.487 400 V HA 0.527 4.647 4.120 -0.000 0.000 0.298 400 V C -0.216 175.903 176.094 0.042 0.000 1.028 400 V CA -0.359 61.973 62.300 0.054 0.000 0.860 400 V CB 1.838 33.702 31.823 0.068 0.000 0.991 400 V HN 0.709 nan 8.190 nan 0.000 0.427 401 M N 5.091 124.712 119.600 0.035 0.000 2.393 401 M HA 0.672 5.152 4.480 -0.000 0.000 0.316 401 M C -0.544 175.776 176.300 0.034 0.000 1.087 401 M CA -0.384 54.932 55.300 0.028 0.000 0.937 401 M CB 2.556 35.167 32.600 0.019 0.000 1.668 401 M HN 0.580 nan 8.290 nan 0.000 0.438 402 R N 1.489 122.005 120.500 0.028 0.000 2.725 402 R HA 0.485 4.825 4.340 -0.000 0.000 0.277 402 R C -1.093 175.216 176.300 0.015 0.000 0.987 402 R CA -0.806 55.309 56.100 0.026 0.000 0.901 402 R CB 2.010 32.325 30.300 0.025 0.000 1.207 402 R HN 0.653 nan 8.270 nan 0.000 0.463 403 K N 2.327 122.734 120.400 0.012 0.000 2.440 403 K HA -0.048 4.272 4.320 -0.000 0.000 0.270 403 K C 0.818 177.410 176.600 -0.012 0.000 0.980 403 K CA -0.152 56.133 56.287 -0.004 0.000 0.953 403 K CB 0.609 33.106 32.500 -0.006 0.000 0.925 403 K HN 0.341 nan 8.250 nan 0.000 0.497 404 L N 2.205 123.410 121.223 -0.029 0.000 2.004 404 L HA 0.051 4.391 4.340 -0.000 0.000 0.205 404 L C 0.169 177.024 176.870 -0.025 0.000 1.089 404 L CA 1.709 56.531 54.840 -0.030 0.000 0.756 404 L CB -0.035 41.994 42.059 -0.049 0.000 0.900 404 L HN 0.658 nan 8.230 nan 0.000 0.440 405 K N -1.453 118.927 120.400 -0.033 0.000 2.625 405 K HA 0.293 4.613 4.320 -0.000 0.000 0.284 405 K C -1.512 175.071 176.600 -0.029 0.000 0.984 405 K CA -0.093 56.179 56.287 -0.025 0.000 0.865 405 K CB 0.926 33.414 32.500 -0.021 0.000 1.468 405 K HN 0.455 nan 8.250 nan 0.000 0.407 406 D N 0.000 120.388 120.400 -0.020 0.000 6.856 406 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 406 D CA 0.000 53.989 54.000 -0.019 0.000 0.868 406 D CB 0.000 40.789 40.800 -0.019 0.000 0.688 406 D HN 0.000 nan 8.370 nan 0.000 0.683