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 1h4f_1_C DATA FIRST_RESID 1 DATA SEQUENCE MKRAVITGLG 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 SPAISATRAM 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 0.012 0.000 1.140 1 M CA 0.000 55.308 55.300 0.014 0.000 0.988 1 M CB 0.000 32.611 32.600 0.019 0.000 1.302 2 K N 2.678 123.085 120.400 0.011 0.000 2.401 2 K HA 0.291 4.611 4.320 -0.000 0.000 0.278 2 K C -0.758 175.846 176.600 0.006 0.000 1.018 2 K CA 0.115 56.406 56.287 0.007 0.000 0.981 2 K CB 0.307 32.809 32.500 0.002 0.000 0.933 2 K HN 0.601 nan 8.250 nan 0.000 0.477 3 R N 0.612 121.114 120.500 0.003 0.000 2.474 3 R HA 0.517 4.857 4.340 -0.000 0.000 0.295 3 R C -0.442 175.853 176.300 -0.009 0.000 0.980 3 R CA -0.614 55.487 56.100 0.001 0.000 0.934 3 R CB 1.661 31.961 30.300 0.000 0.000 1.101 3 R HN 0.665 nan 8.270 nan 0.000 0.469 4 A N 2.487 125.300 122.820 -0.013 0.000 2.331 4 A HA 0.647 4.967 4.320 -0.000 0.000 0.320 4 A C -0.421 177.146 177.584 -0.028 0.000 1.138 4 A CA -0.660 51.359 52.037 -0.030 0.000 0.790 4 A CB 1.110 20.085 19.000 -0.041 0.000 1.206 4 A HN 0.523 nan 8.150 nan 0.000 0.470 5 V N -0.174 119.719 119.914 -0.035 0.000 3.074 5 V HA 0.724 4.844 4.120 -0.000 0.000 0.314 5 V C -0.706 175.370 176.094 -0.031 0.000 1.117 5 V CA -1.099 61.185 62.300 -0.027 0.000 1.014 5 V CB 1.778 33.586 31.823 -0.026 0.000 1.057 5 V HN 0.616 nan 8.190 nan 0.000 0.438 6 I N 2.618 123.187 120.570 -0.002 0.000 2.321 6 I HA 0.441 4.611 4.170 -0.000 0.000 0.291 6 I C 1.062 177.248 176.117 0.114 0.000 0.998 6 I CA 0.162 61.473 61.300 0.019 0.000 1.227 6 I CB 1.156 39.160 38.000 0.006 0.000 1.368 6 I HN 1.046 nan 8.210 nan 0.000 0.466 7 T N 1.224 115.832 114.554 0.089 0.000 3.132 7 T HA 0.532 4.882 4.350 -0.000 0.000 0.274 7 T C 0.475 175.316 174.700 0.235 0.000 1.011 7 T CA -0.340 61.834 62.100 0.123 0.000 0.899 7 T CB 0.310 69.197 68.868 0.030 0.000 1.089 7 T HN 0.781 nan 8.240 nan 0.000 0.543 8 G N 1.345 110.302 108.800 0.262 0.000 2.556 8 G HA2 0.535 4.495 3.960 -0.000 0.000 0.294 8 G HA3 0.535 4.495 3.960 -0.000 0.000 0.294 8 G C -2.016 172.931 174.900 0.078 0.000 1.516 8 G CA -0.898 44.357 45.100 0.257 0.000 0.824 8 G HN 0.667 nan 8.290 nan 0.000 0.535 9 L N -1.097 120.147 121.223 0.036 0.000 2.469 9 L HA 1.075 5.415 4.340 -0.000 0.000 0.256 9 L C 0.005 176.848 176.870 -0.045 0.000 1.006 9 L CA -0.857 53.933 54.840 -0.084 0.000 0.832 9 L CB 1.835 43.745 42.059 -0.248 0.000 1.421 9 L HN 1.333 nan 8.230 nan 0.000 0.410 10 G N 0.503 109.263 108.800 -0.067 0.000 2.733 10 G HA2 0.764 4.724 3.960 -0.000 0.000 0.297 10 G HA3 0.764 4.724 3.960 -0.000 0.000 0.297 10 G C -2.101 172.767 174.900 -0.054 0.000 1.422 10 G CA -0.611 44.460 45.100 -0.049 0.000 0.942 10 G HN 1.057 nan 8.290 nan 0.000 0.510 11 I N 0.420 120.971 120.570 -0.031 0.000 2.787 11 I HA 0.617 4.787 4.170 -0.000 0.000 0.294 11 I C -1.622 174.483 176.117 -0.019 0.000 1.365 11 I CA -0.910 60.369 61.300 -0.035 0.000 1.029 11 I CB 2.299 40.276 38.000 -0.040 0.000 1.313 11 I HN 0.382 nan 8.210 nan 0.000 0.431 12 V N 6.251 126.140 119.914 -0.042 0.000 2.419 12 V HA 0.609 4.729 4.120 -0.000 0.000 0.287 12 V C -0.355 175.646 176.094 -0.155 0.000 1.017 12 V CA -0.165 62.086 62.300 -0.081 0.000 0.844 12 V CB 1.387 33.174 31.823 -0.060 0.000 1.011 12 V HN 0.794 nan 8.190 nan 0.000 0.429 13 S N 2.776 118.412 115.700 -0.107 0.000 2.697 13 S HA 0.445 4.915 4.470 -0.000 0.000 0.289 13 S C 1.225 175.767 174.600 -0.096 0.000 1.149 13 S CA 0.179 58.325 58.200 -0.091 0.000 0.850 13 S CB 2.012 65.249 63.200 0.062 0.000 1.151 13 S HN 0.967 nan 8.310 nan 0.000 0.491 14 S N 0.828 116.478 115.700 -0.083 0.000 2.469 14 S HA -0.079 4.391 4.470 -0.000 0.000 0.238 14 S C 1.488 176.063 174.600 -0.042 0.000 0.998 14 S CA 1.174 59.327 58.200 -0.078 0.000 0.957 14 S CB -1.139 62.027 63.200 -0.057 0.000 0.764 14 S HN 1.020 nan 8.310 nan 0.000 0.514 15 I N -2.569 117.985 120.570 -0.027 0.000 3.941 15 I HA 0.660 4.830 4.170 -0.000 0.000 0.335 15 I C 0.608 176.709 176.117 -0.027 0.000 1.402 15 I CA -0.394 60.883 61.300 -0.039 0.000 1.112 15 I CB 0.167 38.115 38.000 -0.086 0.000 1.043 15 I HN 0.297 nan 8.210 nan 0.000 0.395 16 G N 1.100 109.890 108.800 -0.016 0.000 2.386 16 G HA2 0.051 4.011 3.960 -0.000 0.000 0.302 16 G HA3 0.051 4.011 3.960 -0.000 0.000 0.302 16 G C -0.836 174.058 174.900 -0.011 0.000 1.629 16 G CA -0.626 44.468 45.100 -0.010 0.000 0.917 16 G HN -0.009 nan 8.290 nan 0.000 0.676 17 N N 0.041 118.735 118.700 -0.010 0.000 2.336 17 N HA 0.110 4.850 4.740 -0.000 0.000 0.189 17 N C 0.386 175.900 175.510 0.007 0.000 1.113 17 N CA 0.702 53.748 53.050 -0.007 0.000 0.858 17 N CB 0.281 38.768 38.487 0.000 0.000 0.970 17 N HN 0.807 nan 8.380 nan 0.000 0.471 18 N N -1.625 117.081 118.700 0.011 0.000 3.179 18 N HA -0.010 4.730 4.740 -0.000 0.000 0.250 18 N C 0.316 175.841 175.510 0.024 0.000 1.507 18 N CA -0.666 52.394 53.050 0.017 0.000 0.883 18 N CB 0.452 38.949 38.487 0.018 0.000 1.435 18 N HN -0.152 nan 8.380 nan 0.000 0.532 19 Q N -1.312 118.507 119.800 0.031 0.000 2.230 19 Q HA -0.064 4.276 4.340 -0.000 0.000 0.202 19 Q C 0.717 176.729 176.000 0.020 0.000 0.963 19 Q CA 1.319 57.148 55.803 0.044 0.000 0.866 19 Q CB -0.266 28.512 28.738 0.068 0.000 0.931 19 Q HN 0.582 nan 8.270 nan 0.000 0.452 20 Q N 1.470 121.274 119.800 0.006 0.000 2.050 20 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 20 Q C 1.792 177.768 176.000 -0.039 0.000 0.980 20 Q CA 2.039 57.827 55.803 -0.026 0.000 0.840 20 Q CB -0.051 28.677 28.738 -0.017 0.000 0.898 20 Q HN 0.572 nan 8.270 nan 0.000 0.424 21 E N -0.471 119.716 120.200 -0.020 0.000 2.106 21 E HA -0.128 4.222 4.350 -0.000 0.000 0.192 21 E C 1.975 178.559 176.600 -0.028 0.000 0.984 21 E CA 1.154 57.539 56.400 -0.025 0.000 0.806 21 E CB 0.010 29.702 29.700 -0.014 0.000 0.750 21 E HN 0.111 nan 8.360 nan 0.000 0.458 22 V N 1.448 121.360 119.914 -0.002 0.000 2.358 22 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 22 V C 2.298 178.384 176.094 -0.012 0.000 1.047 22 V CA 1.350 63.660 62.300 0.015 0.000 1.035 22 V CB -0.329 31.559 31.823 0.108 0.000 0.658 22 V HN 0.232 nan 8.190 nan 0.000 0.452 23 L N 1.001 122.211 121.223 -0.021 0.000 2.012 23 L HA -0.128 4.212 4.340 -0.000 0.000 0.210 23 L C 2.434 179.211 176.870 -0.156 0.000 1.073 23 L CA 2.546 57.341 54.840 -0.075 0.000 0.748 23 L CB -0.977 40.964 42.059 -0.197 0.000 0.891 23 L HN 0.218 nan 8.230 nan 0.000 0.431 24 A N -1.315 121.422 122.820 -0.139 0.000 1.877 24 A HA -0.206 4.114 4.320 -0.000 0.000 0.216 24 A C 2.398 179.910 177.584 -0.120 0.000 1.186 24 A CA 2.115 54.066 52.037 -0.143 0.000 0.620 24 A CB -1.121 17.819 19.000 -0.101 0.000 0.822 24 A HN 0.548 nan 8.150 nan 0.000 0.443 25 S N -0.175 115.471 115.700 -0.090 0.000 2.370 25 S HA -0.116 4.354 4.470 -0.000 0.000 0.226 25 S C 1.848 176.396 174.600 -0.087 0.000 1.033 25 S CA 1.498 59.648 58.200 -0.082 0.000 1.011 25 S CB -0.490 62.662 63.200 -0.081 0.000 0.852 25 S HN 0.495 nan 8.310 nan 0.000 0.457 26 L N 0.827 122.003 121.223 -0.078 0.000 2.017 26 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 26 L C 2.725 179.613 176.870 0.029 0.000 1.073 26 L CA 1.350 56.190 54.840 -0.001 0.000 0.745 26 L CB -0.429 41.721 42.059 0.153 0.000 0.894 26 L HN 0.228 nan 8.230 nan 0.000 0.432 27 R N 0.013 120.416 120.500 -0.163 0.000 2.115 27 R HA -0.147 4.193 4.340 -0.000 0.000 0.230 27 R C 1.827 178.046 176.300 -0.135 0.000 1.111 27 R CA 1.230 57.156 56.100 -0.290 0.000 0.976 27 R CB -0.134 29.867 30.300 -0.499 0.000 0.870 27 R HN 0.464 nan 8.270 nan 0.000 0.445 28 E N -0.666 119.471 120.200 -0.106 0.000 2.489 28 E HA 0.076 4.426 4.350 -0.000 0.000 0.193 28 E C 0.631 177.205 176.600 -0.043 0.000 1.057 28 E CA 0.286 56.644 56.400 -0.070 0.000 0.866 28 E CB 0.602 30.262 29.700 -0.068 0.000 0.916 28 E HN 0.448 nan 8.360 nan 0.000 0.500 29 G N 2.781 111.559 108.800 -0.036 0.000 2.249 29 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.273 29 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.273 29 G C 0.072 174.953 174.900 -0.033 0.000 1.036 29 G CA 0.471 45.555 45.100 -0.027 0.000 0.824 29 G HN 0.243 nan 8.290 nan 0.000 0.504 30 R N 0.380 120.854 120.500 -0.043 0.000 2.267 30 R HA 0.469 4.809 4.340 -0.000 0.000 0.319 30 R C 0.814 177.093 176.300 -0.035 0.000 1.067 30 R CA 0.226 56.305 56.100 -0.035 0.000 0.936 30 R CB 0.465 30.742 30.300 -0.037 0.000 1.006 30 R HN 0.237 nan 8.270 nan 0.000 0.452 31 S N 2.328 118.017 115.700 -0.018 0.000 2.549 31 S HA 0.154 4.624 4.470 -0.000 0.000 0.283 31 S C 1.008 175.609 174.600 0.001 0.000 1.320 31 S CA -0.083 58.112 58.200 -0.008 0.000 1.058 31 S CB 1.013 64.219 63.200 0.009 0.000 0.882 31 S HN 0.803 nan 8.310 nan 0.000 0.498 32 G N 4.409 113.210 108.800 0.001 0.000 3.233 32 G HA2 0.221 4.181 3.960 -0.000 0.000 0.234 32 G HA3 0.221 4.181 3.960 -0.000 0.000 0.234 32 G C 0.230 175.159 174.900 0.048 0.000 1.137 32 G CA -0.262 44.844 45.100 0.010 0.000 0.763 32 G HN 0.625 nan 8.290 nan 0.000 0.549 33 I N 2.395 123.008 120.570 0.072 0.000 2.428 33 I HA 0.391 4.561 4.170 -0.000 0.000 0.289 33 I C 0.630 176.848 176.117 0.167 0.000 1.019 33 I CA -0.229 61.150 61.300 0.131 0.000 1.351 33 I CB 0.600 38.671 38.000 0.117 0.000 1.412 33 I HN 0.072 nan 8.210 nan 0.000 0.513 34 T N 2.244 116.952 114.554 0.256 0.000 2.865 34 T HA 0.522 4.872 4.350 -0.000 0.000 0.294 34 T C -0.592 174.256 174.700 0.246 0.000 1.119 34 T CA -0.735 61.522 62.100 0.261 0.000 1.007 34 T CB 1.785 70.823 68.868 0.283 0.000 1.225 34 T HN 0.225 nan 8.240 nan 0.000 0.515 35 F N 1.712 121.709 119.950 0.079 0.000 2.443 35 F HA 0.576 5.103 4.527 -0.000 0.000 0.353 35 F C 0.439 176.139 175.800 -0.166 0.000 1.101 35 F CA -0.237 57.754 58.000 -0.016 0.000 1.226 35 F CB 0.948 39.948 39.000 -0.000 0.000 1.140 35 F HN 0.678 nan 8.300 nan 0.000 0.557 36 S N 4.900 119.743 115.700 -1.427 0.000 2.498 36 S HA 0.193 4.663 4.470 -0.000 0.000 0.324 36 S C 0.537 174.264 174.600 -1.456 0.000 1.071 36 S CA -0.648 56.625 58.200 -1.544 0.000 1.113 36 S CB 1.284 63.096 63.200 -2.314 0.000 0.976 36 S HN 0.886 nan 8.310 nan 0.000 0.462 37 Q N 3.467 122.746 119.800 -0.867 0.000 2.230 37 Q HA -0.034 4.306 4.340 -0.000 0.000 0.202 37 Q C 1.761 177.518 176.000 -0.405 0.000 0.963 37 Q CA 1.983 57.520 55.803 -0.444 0.000 0.866 37 Q CB -0.103 28.588 28.738 -0.078 0.000 0.931 37 Q HN 0.909 nan 8.270 nan 0.000 0.452 38 E N -0.385 119.559 120.200 -0.426 0.000 2.031 38 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 38 E C 1.811 178.225 176.600 -0.309 0.000 0.994 38 E CA 1.246 57.491 56.400 -0.258 0.000 0.800 38 E CB -0.201 29.462 29.700 -0.061 0.000 0.752 38 E HN 0.444 nan 8.360 nan 0.000 0.447 39 L N 0.779 121.715 121.223 -0.479 0.000 2.042 39 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 39 L C 2.906 179.602 176.870 -0.290 0.000 1.076 39 L CA 1.608 56.276 54.840 -0.287 0.000 0.749 39 L CB -0.544 41.326 42.059 -0.315 0.000 0.893 39 L HN 0.195 nan 8.230 nan 0.000 0.432 40 K N 0.231 120.330 120.400 -0.502 0.000 2.026 40 K HA -0.200 4.120 4.320 -0.000 0.000 0.208 40 K C 1.621 178.005 176.600 -0.360 0.000 1.048 40 K CA 1.801 57.707 56.287 -0.635 0.000 0.929 40 K CB -0.002 32.022 32.500 -0.793 0.000 0.713 40 K HN 0.202 nan 8.250 nan 0.000 0.439 41 D N 0.318 120.535 120.400 -0.306 0.000 2.265 41 D HA -0.125 4.515 4.640 -0.000 0.000 0.208 41 D C 1.793 177.909 176.300 -0.307 0.000 0.977 41 D CA 1.395 55.244 54.000 -0.252 0.000 0.871 41 D CB -0.109 40.558 40.800 -0.222 0.000 0.925 41 D HN 0.343 nan 8.370 nan 0.000 0.485 42 S N -0.988 114.493 115.700 -0.364 0.000 2.561 42 S HA 0.170 4.640 4.470 -0.000 0.000 0.225 42 S C 1.748 176.183 174.600 -0.275 0.000 0.977 42 S CA 0.787 58.694 58.200 -0.488 0.000 0.926 42 S CB 0.144 63.035 63.200 -0.515 0.000 0.769 42 S HN 0.316 nan 8.310 nan 0.000 0.533 43 G N 0.495 109.194 108.800 -0.169 0.000 2.157 43 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.239 43 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.239 43 G C -0.001 174.902 174.900 0.006 0.000 0.982 43 G CA 0.195 45.249 45.100 -0.076 0.000 0.650 43 G HN 0.502 nan 8.290 nan 0.000 0.527 44 M N -0.570 119.048 119.600 0.031 0.000 2.202 44 M HA 0.445 4.925 4.480 -0.000 0.000 0.316 44 M C 1.865 178.277 176.300 0.187 0.000 1.138 44 M CA -0.080 55.282 55.300 0.104 0.000 1.151 44 M CB 0.577 33.248 32.600 0.118 0.000 1.422 44 M HN 0.156 nan 8.290 nan 0.000 0.471 45 R N -0.417 120.136 120.500 0.089 0.000 2.189 45 R HA 0.111 4.451 4.340 -0.000 0.000 0.203 45 R C 0.393 176.564 176.300 -0.215 0.000 1.012 45 R CA 0.201 56.283 56.100 -0.030 0.000 1.015 45 R CB 0.262 30.541 30.300 -0.034 0.000 0.938 45 R HN 0.553 nan 8.270 nan 0.000 0.472 46 S N 0.312 115.978 115.700 -0.058 0.000 2.489 46 S HA 0.125 4.595 4.470 -0.000 0.000 0.277 46 S C -0.112 174.524 174.600 0.060 0.000 1.230 46 S CA -0.502 57.659 58.200 -0.065 0.000 1.053 46 S CB 0.358 63.550 63.200 -0.013 0.000 0.955 46 S HN 0.335 nan 8.310 nan 0.000 0.488 47 H N 2.775 121.806 119.070 -0.065 0.000 2.510 47 H HA 0.342 4.898 4.556 -0.000 0.000 0.266 47 H C -0.110 175.018 175.328 -0.334 0.000 1.146 47 H CA -0.612 55.300 56.048 -0.226 0.000 0.993 47 H CB 0.559 30.282 29.762 -0.065 0.000 1.727 47 H HN 0.448 nan 8.280 nan 0.000 0.590 48 V N -1.875 118.005 119.914 -0.056 0.000 3.040 48 V HA 0.648 4.768 4.120 -0.000 0.000 0.312 48 V C -1.399 174.782 176.094 0.146 0.000 1.115 48 V CA -0.976 61.316 62.300 -0.013 0.000 0.998 48 V CB 2.289 34.183 31.823 0.118 0.000 1.042 48 V HN 0.383 nan 8.190 nan 0.000 0.433 49 W N 0.582 121.895 121.300 0.022 0.000 3.059 49 W HA 0.805 5.465 4.660 -0.000 0.000 0.329 49 W C -0.325 176.212 176.519 0.031 0.000 1.246 49 W CA -1.674 55.689 57.345 0.029 0.000 1.190 49 W CB 0.798 30.269 29.460 0.019 0.000 1.423 49 W HN 1.043 nan 8.180 nan 0.000 0.571 50 G N 2.058 110.959 108.800 0.168 0.000 2.857 50 G HA2 0.386 4.346 3.960 -0.000 0.000 0.326 50 G HA3 0.386 4.346 3.960 -0.000 0.000 0.326 50 G C -0.429 174.353 174.900 -0.197 0.000 0.950 50 G CA -0.790 44.321 45.100 0.018 0.000 1.400 50 G HN 0.617 nan 8.290 nan 0.000 0.473 51 N N 0.273 118.785 118.700 -0.313 0.000 2.524 51 N HA 0.409 5.149 4.740 -0.000 0.000 0.283 51 N C -0.315 175.023 175.510 -0.287 0.000 1.142 51 N CA -0.883 51.866 53.050 -0.502 0.000 0.984 51 N CB 2.013 40.111 38.487 -0.649 0.000 1.155 51 N HN -0.001 nan 8.380 nan 0.000 0.467 52 V N 1.244 120.961 119.914 -0.328 0.000 2.508 52 V HA 0.060 4.180 4.120 -0.000 0.000 0.281 52 V C 0.217 176.230 176.094 -0.136 0.000 1.041 52 V CA -0.104 62.030 62.300 -0.276 0.000 1.016 52 V CB 0.687 32.214 31.823 -0.493 0.000 0.984 52 V HN 0.703 nan 8.190 nan 0.000 0.478 53 K N 5.074 125.426 120.400 -0.080 0.000 2.403 53 K HA 0.564 4.884 4.320 -0.000 0.000 0.235 53 K C -1.016 175.581 176.600 -0.005 0.000 1.142 53 K CA -0.031 56.243 56.287 -0.022 0.000 1.114 53 K CB 0.373 32.870 32.500 -0.005 0.000 1.777 53 K HN 0.486 nan 8.250 nan 0.000 0.424 54 L N 0.485 121.714 121.223 0.010 0.000 2.543 54 L HA 0.412 4.752 4.340 -0.000 0.000 0.265 54 L C -1.718 175.185 176.870 0.054 0.000 0.945 54 L CA -0.556 54.303 54.840 0.032 0.000 0.869 54 L CB 1.997 44.077 42.059 0.035 0.000 1.294 54 L HN 0.170 nan 8.230 nan 0.000 0.405 55 D N 2.304 122.732 120.400 0.046 0.000 2.365 55 D HA 0.199 4.839 4.640 -0.000 0.000 0.237 55 D C 0.951 177.279 176.300 0.047 0.000 1.190 55 D CA 0.435 54.462 54.000 0.044 0.000 0.867 55 D CB 1.398 42.217 40.800 0.033 0.000 1.050 55 D HN 0.718 nan 8.370 nan 0.000 0.491 56 T N 0.099 114.685 114.554 0.054 0.000 3.148 56 T HA 0.009 4.359 4.350 -0.000 0.000 0.253 56 T C 0.890 175.595 174.700 0.008 0.000 1.134 56 T CA -0.199 61.929 62.100 0.046 0.000 1.051 56 T CB -0.428 68.473 68.868 0.055 0.000 0.959 56 T HN 0.257 nan 8.240 nan 0.000 0.525 57 T N 2.486 117.042 114.554 0.003 0.000 2.866 57 T HA 0.376 4.726 4.350 -0.000 0.000 0.293 57 T C 1.554 176.244 174.700 -0.017 0.000 1.005 57 T CA 1.034 63.125 62.100 -0.015 0.000 1.162 57 T CB -0.083 68.780 68.868 -0.007 0.000 0.968 57 T HN 0.748 nan 8.240 nan 0.000 0.530 58 G N 2.748 111.526 108.800 -0.037 0.000 2.189 58 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.267 58 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.267 58 G C 0.872 175.758 174.900 -0.023 0.000 0.975 58 G CA 0.428 45.507 45.100 -0.034 0.000 0.644 58 G HN 0.699 nan 8.290 nan 0.000 0.537 59 L N -0.432 120.783 121.223 -0.014 0.000 2.478 59 L HA 0.354 4.694 4.340 -0.000 0.000 0.223 59 L C 1.191 178.067 176.870 0.010 0.000 1.140 59 L CA 0.651 55.503 54.840 0.020 0.000 0.842 59 L CB -0.061 42.031 42.059 0.054 0.000 0.953 59 L HN 0.297 nan 8.230 nan 0.000 0.452 60 I N -1.258 119.262 120.570 -0.084 0.000 2.608 60 I HA 0.213 4.383 4.170 -0.000 0.000 0.295 60 I C -0.593 175.412 176.117 -0.187 0.000 1.049 60 I CA -1.026 60.155 61.300 -0.198 0.000 1.063 60 I CB 2.062 39.784 38.000 -0.462 0.000 1.248 60 I HN -0.189 nan 8.210 nan 0.000 0.424 61 D N 3.997 124.294 120.400 -0.171 0.000 2.525 61 D HA -0.038 4.602 4.640 -0.000 0.000 0.235 61 D C 1.199 177.397 176.300 -0.170 0.000 1.137 61 D CA 0.314 54.234 54.000 -0.133 0.000 0.868 61 D CB 0.889 41.627 40.800 -0.103 0.000 1.180 61 D HN 0.478 nan 8.370 nan 0.000 0.465 62 R N 2.672 123.087 120.500 -0.142 0.000 2.119 62 R HA -0.213 4.127 4.340 -0.000 0.000 0.246 62 R C 1.738 177.913 176.300 -0.208 0.000 1.146 62 R CA 1.474 57.471 56.100 -0.170 0.000 0.962 62 R CB 0.109 30.331 30.300 -0.131 0.000 0.863 62 R HN 0.343 nan 8.270 nan 0.000 0.442 63 K N 0.026 120.337 120.400 -0.147 0.000 2.432 63 K HA -0.005 4.315 4.320 -0.000 0.000 0.196 63 K C 1.613 178.177 176.600 -0.059 0.000 1.038 63 K CA 0.833 57.049 56.287 -0.119 0.000 0.986 63 K CB 0.164 32.648 32.500 -0.026 0.000 0.782 63 K HN 0.198 nan 8.250 nan 0.000 0.485 64 V N 0.853 120.699 119.914 -0.114 0.000 2.436 64 V HA -0.065 4.055 4.120 -0.000 0.000 0.240 64 V C 2.245 178.234 176.094 -0.176 0.000 1.040 64 V CA 0.828 63.068 62.300 -0.099 0.000 1.052 64 V CB 0.016 31.691 31.823 -0.247 0.000 0.707 64 V HN 0.120 nan 8.190 nan 0.000 0.469 65 V N 2.442 122.174 119.914 -0.304 0.000 2.913 65 V HA -0.187 3.933 4.120 -0.000 0.000 0.260 65 V C 2.711 178.579 176.094 -0.376 0.000 1.098 65 V CA 2.025 64.128 62.300 -0.330 0.000 1.121 65 V CB -0.712 30.919 31.823 -0.320 0.000 0.714 65 V HN 0.711 nan 8.190 nan 0.000 0.487 66 R N -1.058 119.134 120.500 -0.513 0.000 2.241 66 R HA -0.114 4.226 4.340 -0.000 0.000 0.224 66 R C 1.671 177.408 176.300 -0.938 0.000 1.101 66 R CA 1.998 57.581 56.100 -0.862 0.000 0.995 66 R CB -0.640 28.924 30.300 -1.227 0.000 0.870 66 R HN 0.522 nan 8.270 nan 0.000 0.463 67 F N 0.651 120.376 119.950 -0.374 0.000 2.727 67 F HA 0.362 4.889 4.527 -0.000 0.000 0.302 67 F C 0.846 176.499 175.800 -0.245 0.000 1.097 67 F CA -0.464 57.404 58.000 -0.220 0.000 1.330 67 F CB 0.332 39.269 39.000 -0.104 0.000 1.084 67 F HN -0.127 nan 8.300 nan 0.000 0.578 68 M N 0.139 119.640 119.600 -0.165 0.000 2.367 68 M HA 0.314 4.794 4.480 -0.000 0.000 0.339 68 M C 0.405 176.516 176.300 -0.315 0.000 1.177 68 M CA -0.606 54.577 55.300 -0.196 0.000 1.068 68 M CB 1.610 34.096 32.600 -0.189 0.000 1.602 68 M HN -0.012 nan 8.290 nan 0.000 0.457 69 S N -0.145 115.423 115.700 -0.219 0.000 2.730 69 S HA 0.329 4.799 4.470 -0.000 0.000 0.284 69 S C 0.328 174.850 174.600 -0.129 0.000 1.153 69 S CA -0.817 57.306 58.200 -0.129 0.000 0.995 69 S CB 1.075 64.292 63.200 0.029 0.000 1.058 69 S HN 0.662 nan 8.310 nan 0.000 0.552 70 D N 1.069 121.398 120.400 -0.119 0.000 2.149 70 D HA -0.049 4.591 4.640 -0.000 0.000 0.198 70 D C 2.204 178.198 176.300 -0.510 0.000 0.990 70 D CA 1.758 55.503 54.000 -0.426 0.000 0.839 70 D CB -0.903 39.638 40.800 -0.431 0.000 0.948 70 D HN 0.680 nan 8.370 nan 0.000 0.460 71 A N 0.492 123.204 122.820 -0.181 0.000 1.917 71 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 71 A C 2.462 180.033 177.584 -0.022 0.000 1.182 71 A CA 2.100 54.116 52.037 -0.034 0.000 0.633 71 A CB -0.627 18.392 19.000 0.032 0.000 0.819 71 A HN 0.186 nan 8.150 nan 0.000 0.448 72 S N -0.529 115.144 115.700 -0.045 0.000 2.387 72 S HA -0.029 4.441 4.470 -0.000 0.000 0.226 72 S C 1.787 176.402 174.600 0.026 0.000 1.026 72 S CA 1.174 59.381 58.200 0.012 0.000 0.972 72 S CB -0.433 62.763 63.200 -0.006 0.000 0.814 72 S HN 0.539 nan 8.310 nan 0.000 0.477 73 I N 0.436 120.938 120.570 -0.114 0.000 2.179 73 I HA -0.218 3.952 4.170 -0.000 0.000 0.242 73 I C 1.967 178.130 176.117 0.077 0.000 1.088 73 I CA 1.365 62.605 61.300 -0.100 0.000 1.357 73 I CB -0.409 37.435 38.000 -0.259 0.000 1.051 73 I HN 0.284 nan 8.210 nan 0.000 0.409 74 Y N 0.713 121.052 120.300 0.067 0.000 2.242 74 Y HA -0.111 4.439 4.550 -0.000 0.000 0.291 74 Y C 2.632 178.574 175.900 0.070 0.000 1.137 74 Y CA 0.648 58.780 58.100 0.055 0.000 1.181 74 Y CB -1.272 37.196 38.460 0.012 0.000 0.989 74 Y HN 0.106 nan 8.280 nan 0.000 0.527 75 A N -0.456 122.498 122.820 0.224 0.000 1.930 75 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 75 A C 2.181 179.860 177.584 0.158 0.000 1.175 75 A CA 1.242 53.366 52.037 0.144 0.000 0.627 75 A CB -1.282 17.786 19.000 0.114 0.000 0.815 75 A HN 0.462 nan 8.150 nan 0.000 0.443 76 F N 0.570 120.571 119.950 0.085 0.000 2.113 76 F HA -0.114 4.413 4.527 -0.000 0.000 0.297 76 F C 1.898 177.783 175.800 0.142 0.000 1.103 76 F CA 1.681 59.773 58.000 0.153 0.000 1.248 76 F CB -0.147 38.927 39.000 0.123 0.000 0.999 76 F HN 0.134 nan 8.300 nan 0.000 0.475 77 L N -0.563 120.885 121.223 0.374 0.000 2.046 77 L HA -0.229 4.111 4.340 -0.000 0.000 0.208 77 L C 2.514 179.415 176.870 0.052 0.000 1.077 77 L CA 1.423 56.401 54.840 0.230 0.000 0.747 77 L CB -0.952 41.250 42.059 0.237 0.000 0.896 77 L HN 0.090 nan 8.230 nan 0.000 0.432 78 S N -0.334 115.391 115.700 0.040 0.000 2.382 78 S HA -0.224 4.246 4.470 -0.000 0.000 0.228 78 S C 1.923 176.444 174.600 -0.132 0.000 1.027 78 S CA 1.614 59.796 58.200 -0.030 0.000 0.991 78 S CB -0.243 62.946 63.200 -0.018 0.000 0.823 78 S HN 0.360 nan 8.310 nan 0.000 0.469 79 M N 1.517 120.978 119.600 -0.233 0.000 2.132 79 M HA -0.106 4.374 4.480 -0.000 0.000 0.263 79 M C 1.972 177.934 176.300 -0.564 0.000 1.065 79 M CA 1.442 56.442 55.300 -0.500 0.000 1.122 79 M CB -0.161 31.944 32.600 -0.826 0.000 1.365 79 M HN 0.222 nan 8.290 nan 0.000 0.411 80 E N -0.115 119.836 120.200 -0.414 0.000 2.058 80 E HA -0.277 4.073 4.350 -0.000 0.000 0.194 80 E C 2.055 178.569 176.600 -0.144 0.000 0.997 80 E CA 1.807 58.069 56.400 -0.230 0.000 0.801 80 E CB -0.209 29.447 29.700 -0.073 0.000 0.746 80 E HN 0.684 nan 8.360 nan 0.000 0.450 81 Q N 0.019 119.760 119.800 -0.099 0.000 2.084 81 Q HA -0.159 4.181 4.340 -0.000 0.000 0.202 81 Q C 2.210 178.178 176.000 -0.053 0.000 0.978 81 Q CA 1.379 57.154 55.803 -0.046 0.000 0.844 81 Q CB -0.173 28.552 28.738 -0.022 0.000 0.898 81 Q HN 0.235 nan 8.270 nan 0.000 0.426 82 A N 0.684 123.446 122.820 -0.096 0.000 1.933 82 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 82 A C 2.013 179.575 177.584 -0.038 0.000 1.175 82 A CA 1.154 53.159 52.037 -0.052 0.000 0.628 82 A CB -0.557 18.409 19.000 -0.056 0.000 0.814 82 A HN 0.308 nan 8.150 nan 0.000 0.444 83 I N -0.422 120.063 120.570 -0.143 0.000 2.252 83 I HA -0.240 3.930 4.170 -0.000 0.000 0.245 83 I C 2.932 179.027 176.117 -0.036 0.000 1.102 83 I CA 1.005 62.219 61.300 -0.143 0.000 1.385 83 I CB -0.218 37.559 38.000 -0.373 0.000 1.064 83 I HN 0.348 nan 8.210 nan 0.000 0.414 84 A N 0.147 122.952 122.820 -0.024 0.000 1.898 84 A HA -0.276 4.044 4.320 -0.000 0.000 0.216 84 A C 2.001 179.605 177.584 0.034 0.000 1.181 84 A CA 2.180 54.228 52.037 0.018 0.000 0.620 84 A CB -0.667 18.344 19.000 0.019 0.000 0.819 84 A HN 0.423 nan 8.150 nan 0.000 0.442 85 D N -0.066 120.359 120.400 0.043 0.000 2.117 85 D HA -0.023 4.617 4.640 -0.000 0.000 0.197 85 D C 1.870 178.231 176.300 0.102 0.000 0.987 85 D CA 1.526 55.577 54.000 0.085 0.000 0.829 85 D CB -0.183 40.694 40.800 0.128 0.000 0.961 85 D HN 0.328 nan 8.370 nan 0.000 0.460 86 A N -0.753 122.121 122.820 0.090 0.000 2.167 86 A HA 0.357 4.677 4.320 -0.000 0.000 0.214 86 A C 1.820 179.444 177.584 0.067 0.000 1.151 86 A CA 1.137 53.227 52.037 0.088 0.000 0.735 86 A CB -0.640 18.398 19.000 0.062 0.000 0.802 86 A HN 0.494 nan 8.150 nan 0.000 0.467 87 G N -0.989 107.846 108.800 0.059 0.000 2.198 87 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.257 87 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.257 87 G C -0.057 174.891 174.900 0.080 0.000 1.042 87 G CA 0.362 45.496 45.100 0.058 0.000 0.791 87 G HN 0.464 nan 8.290 nan 0.000 0.502 88 L N 1.062 122.345 121.223 0.100 0.000 2.292 88 L HA 0.502 4.842 4.340 -0.000 0.000 0.284 88 L C 0.679 177.708 176.870 0.265 0.000 1.065 88 L CA -0.522 54.424 54.840 0.177 0.000 0.806 88 L CB 1.594 43.756 42.059 0.172 0.000 1.175 88 L HN 0.153 nan 8.230 nan 0.000 0.431 89 S N 3.743 119.592 115.700 0.250 0.000 2.554 89 S HA 0.256 4.726 4.470 -0.000 0.000 0.278 89 S C -1.662 173.029 174.600 0.152 0.000 1.242 89 S CA -1.107 57.208 58.200 0.191 0.000 1.051 89 S CB 1.644 64.900 63.200 0.092 0.000 0.986 89 S HN 0.437 nan 8.310 nan 0.000 0.502 90 P HA -0.132 nan 4.420 nan 0.000 0.217 90 P C 0.798 177.907 177.300 -0.319 0.000 1.148 90 P CA 1.042 63.879 63.100 -0.439 0.000 0.828 90 P CB 0.148 31.712 31.700 -0.227 0.000 0.783 91 E N -0.633 119.496 120.200 -0.119 0.000 2.160 91 E HA -0.138 4.212 4.350 -0.000 0.000 0.195 91 E C 2.063 178.632 176.600 -0.052 0.000 0.991 91 E CA 1.563 57.917 56.400 -0.077 0.000 0.810 91 E CB -0.766 28.918 29.700 -0.027 0.000 0.742 91 E HN 0.227 nan 8.360 nan 0.000 0.466 92 A N -0.039 122.783 122.820 0.003 0.000 1.911 92 A HA -0.058 4.262 4.320 -0.000 0.000 0.212 92 A C 1.962 179.615 177.584 0.114 0.000 1.189 92 A CA 1.060 53.145 52.037 0.080 0.000 0.639 92 A CB -0.483 18.607 19.000 0.149 0.000 0.839 92 A HN 0.478 nan 8.150 nan 0.000 0.449 93 Y N -0.391 119.957 120.300 0.079 0.000 2.509 93 Y HA 0.383 4.933 4.550 -0.000 0.000 0.270 93 Y C 0.845 176.784 175.900 0.064 0.000 1.103 93 Y CA -0.397 57.763 58.100 0.099 0.000 1.278 93 Y CB -0.305 38.277 38.460 0.203 0.000 1.087 93 Y HN 0.229 nan 8.280 nan 0.000 0.542 94 Q N 1.469 120.965 119.800 -0.506 0.000 2.306 94 Q HA 0.140 4.480 4.340 -0.000 0.000 0.241 94 Q C -0.318 175.501 176.000 -0.301 0.000 0.948 94 Q CA -0.347 55.234 55.803 -0.371 0.000 0.886 94 Q CB 0.537 29.001 28.738 -0.457 0.000 1.227 94 Q HN 0.388 nan 8.270 nan 0.000 0.457 95 N N 1.393 119.796 118.700 -0.495 0.000 2.710 95 N HA -0.200 4.540 4.740 -0.000 0.000 0.249 95 N C -1.259 174.020 175.510 -0.385 0.000 1.059 95 N CA 0.768 53.282 53.050 -0.894 0.000 0.720 95 N CB -0.997 37.226 38.487 -0.440 0.000 0.983 95 N HN 0.465 nan 8.380 nan 0.000 0.544 96 N N -0.259 118.326 118.700 -0.193 0.000 2.518 96 N HA 0.336 5.076 4.740 -0.000 0.000 0.254 96 N C -1.989 173.572 175.510 0.085 0.000 0.979 96 N CA -2.122 50.926 53.050 -0.004 0.000 0.930 96 N CB 1.439 39.938 38.487 0.021 0.000 1.152 96 N HN -0.145 nan 8.380 nan 0.000 0.505 97 P HA -0.049 nan 4.420 nan 0.000 0.221 97 P C 0.470 177.810 177.300 0.067 0.000 1.145 97 P CA 1.098 64.272 63.100 0.123 0.000 0.795 97 P CB 0.313 32.068 31.700 0.091 0.000 0.775 98 R N -0.883 119.639 120.500 0.038 0.000 2.356 98 R HA 0.213 4.553 4.340 -0.000 0.000 0.234 98 R C -0.341 175.933 176.300 -0.044 0.000 0.929 98 R CA -0.000 56.094 56.100 -0.010 0.000 1.084 98 R CB 0.333 30.616 30.300 -0.028 0.000 1.105 98 R HN 0.080 nan 8.270 nan 0.000 0.515 99 V N 0.247 120.166 119.914 0.010 0.000 2.444 99 V HA 0.571 4.691 4.120 -0.000 0.000 0.294 99 V C 0.354 176.485 176.094 0.062 0.000 1.022 99 V CA -0.766 61.541 62.300 0.012 0.000 0.850 99 V CB 1.710 33.604 31.823 0.118 0.000 0.992 99 V HN 0.309 nan 8.190 nan 0.000 0.426 100 G N 3.687 112.492 108.800 0.008 0.000 3.042 100 G HA2 0.792 4.752 3.960 -0.000 0.000 0.278 100 G HA3 0.792 4.752 3.960 -0.000 0.000 0.278 100 G C -1.734 173.208 174.900 0.069 0.000 1.371 100 G CA -0.632 44.481 45.100 0.022 0.000 1.009 100 G HN 0.551 nan 8.290 nan 0.000 0.523 101 L N 0.339 121.561 121.223 -0.002 0.000 2.516 101 L HA 0.638 4.978 4.340 -0.000 0.000 0.267 101 L C -1.563 175.226 176.870 -0.135 0.000 0.957 101 L CA -0.556 54.292 54.840 0.013 0.000 0.860 101 L CB 1.369 43.461 42.059 0.054 0.000 1.265 101 L HN 0.513 nan 8.230 nan 0.000 0.403 102 I N 4.965 125.461 120.570 -0.124 0.000 2.468 102 I HA 0.693 4.863 4.170 -0.000 0.000 0.284 102 I C -0.401 175.689 176.117 -0.045 0.000 1.038 102 I CA -0.312 60.888 61.300 -0.166 0.000 1.083 102 I CB 1.867 39.748 38.000 -0.199 0.000 1.223 102 I HN 0.752 nan 8.210 nan 0.000 0.443 103 A N 4.300 127.119 122.820 -0.002 0.000 2.566 103 A HA 0.939 5.259 4.320 -0.000 0.000 0.297 103 A C -0.763 176.854 177.584 0.055 0.000 1.059 103 A CA -0.366 51.686 52.037 0.024 0.000 0.691 103 A CB 1.830 20.839 19.000 0.016 0.000 1.282 103 A HN 0.780 nan 8.150 nan 0.000 0.401 104 G N -0.215 108.621 108.800 0.060 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 -0.553 174.384 174.900 0.062 0.000 1.362 104 G CA 0.188 45.331 45.100 0.072 0.000 0.809 104 G HN 1.864 nan 8.290 nan 0.000 0.522 105 S N -1.861 113.878 115.700 0.065 0.000 2.599 105 S HA 0.658 5.128 4.470 -0.000 0.000 0.287 105 S C 0.979 175.617 174.600 0.063 0.000 1.105 105 S CA 0.173 58.407 58.200 0.058 0.000 0.899 105 S CB 1.643 64.877 63.200 0.058 0.000 1.100 105 S HN 1.447 nan 8.310 nan 0.000 0.482 106 G N -0.097 108.736 108.800 0.056 0.000 2.430 106 G HA2 0.319 4.279 3.960 -0.000 0.000 0.216 106 G HA3 0.319 4.279 3.960 -0.000 0.000 0.216 106 G C 0.848 175.798 174.900 0.082 0.000 1.146 106 G CA 0.391 45.534 45.100 0.072 0.000 0.793 106 G HN 1.148 nan 8.290 nan 0.000 0.537 107 G N -1.366 107.480 108.800 0.077 0.000 3.342 107 G HA2 0.466 4.426 3.960 -0.000 0.000 0.252 107 G HA3 0.466 4.426 3.960 -0.000 0.000 0.252 107 G C 1.007 175.943 174.900 0.061 0.000 1.011 107 G CA 0.824 45.969 45.100 0.075 0.000 0.869 107 G HN 1.111 nan 8.290 nan 0.000 0.514 108 G N 0.386 109.223 108.800 0.062 0.000 2.543 108 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.286 108 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.286 108 G C 0.324 175.266 174.900 0.070 0.000 1.153 108 G CA 0.663 45.801 45.100 0.063 0.000 0.968 108 G HN 1.420 nan 8.290 nan 0.000 0.544 109 S N 1.424 117.174 115.700 0.083 0.000 2.383 109 S HA 0.648 5.118 4.470 -0.000 0.000 0.196 109 S C -1.398 173.246 174.600 0.074 0.000 1.364 109 S CA 0.041 58.304 58.200 0.106 0.000 1.212 109 S CB 1.729 65.054 63.200 0.209 0.000 1.171 109 S HN 0.295 nan 8.310 nan 0.000 0.456 110 P HA -0.082 nan 4.420 nan 0.000 0.218 110 P C 1.502 178.737 177.300 -0.109 0.000 1.149 110 P CA 0.615 63.686 63.100 -0.049 0.000 0.817 110 P CB 0.146 31.797 31.700 -0.081 0.000 0.785 111 R N -0.772 119.642 120.500 -0.144 0.000 2.070 111 R HA -0.124 4.216 4.340 -0.000 0.000 0.233 111 R C 1.905 178.037 176.300 -0.280 0.000 1.137 111 R CA 1.723 57.658 56.100 -0.275 0.000 0.945 111 R CB -1.049 29.047 30.300 -0.341 0.000 0.845 111 R HN 0.080 nan 8.270 nan 0.000 0.430 112 F N 0.594 120.559 119.950 0.025 0.000 2.407 112 F HA -0.060 4.467 4.527 -0.000 0.000 0.299 112 F C 2.555 178.450 175.800 0.158 0.000 1.097 112 F CA 0.946 59.011 58.000 0.110 0.000 1.422 112 F CB -0.159 38.873 39.000 0.053 0.000 1.067 112 F HN 0.192 nan 8.300 nan 0.000 0.539 113 Q N 0.589 120.497 119.800 0.180 0.000 2.046 113 Q HA -0.123 4.217 4.340 -0.000 0.000 0.200 113 Q C 2.153 178.193 176.000 0.067 0.000 0.975 113 Q CA 1.813 57.686 55.803 0.117 0.000 0.836 113 Q CB -0.638 28.136 28.738 0.060 0.000 0.896 113 Q HN 0.255 nan 8.270 nan 0.000 0.428 114 V N 0.674 120.596 119.914 0.013 0.000 2.427 114 V HA -0.166 3.954 4.120 -0.000 0.000 0.248 114 V C 2.015 178.116 176.094 0.011 0.000 1.051 114 V CA 1.647 63.937 62.300 -0.017 0.000 1.048 114 V CB -0.790 30.976 31.823 -0.093 0.000 0.666 114 V HN 0.440 nan 8.190 nan 0.000 0.456 115 F N 2.154 122.059 119.950 -0.075 0.000 2.134 115 F HA -0.022 4.505 4.527 0.000 0.000 0.299 115 F C 2.145 177.962 175.800 0.029 0.000 1.097 115 F CA 1.684 59.658 58.000 -0.044 0.000 1.264 115 F CB -0.851 38.083 39.000 -0.110 0.000 1.001 115 F HN 0.125 nan 8.300 nan 0.000 0.479 116 G N 0.074 108.860 108.800 -0.023 0.000 2.459 116 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.217 116 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.217 116 G C 1.833 176.630 174.900 -0.171 0.000 1.183 116 G CA 1.053 46.096 45.100 -0.095 0.000 0.776 116 G HN 0.633 nan 8.290 nan 0.000 0.552 117 A N 0.707 123.473 122.820 -0.089 0.000 1.933 117 A HA -0.028 4.292 4.320 -0.000 0.000 0.218 117 A C 2.106 179.626 177.584 -0.107 0.000 1.175 117 A CA 2.167 54.160 52.037 -0.073 0.000 0.628 117 A CB -0.384 18.597 19.000 -0.032 0.000 0.814 117 A HN 0.293 nan 8.150 nan 0.000 0.444 118 D N -0.047 120.266 120.400 -0.145 0.000 2.117 118 D HA 0.009 4.649 4.640 -0.000 0.000 0.198 118 D C 2.248 178.430 176.300 -0.197 0.000 0.982 118 D CA 1.482 55.403 54.000 -0.133 0.000 0.828 118 D CB -0.364 40.373 40.800 -0.104 0.000 0.967 118 D HN 0.402 nan 8.370 nan 0.000 0.464 119 A N 0.473 123.067 122.820 -0.375 0.000 1.898 119 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 119 A C 2.115 179.590 177.584 -0.182 0.000 1.181 119 A CA 1.519 53.345 52.037 -0.352 0.000 0.620 119 A CB -0.526 18.101 19.000 -0.622 0.000 0.819 119 A HN 0.155 nan 8.150 nan 0.000 0.442 120 M N 0.002 119.506 119.600 -0.160 0.000 2.202 120 M HA -0.090 4.390 4.480 -0.000 0.000 0.262 120 M C 1.846 178.109 176.300 -0.062 0.000 1.063 120 M CA 1.503 56.751 55.300 -0.087 0.000 1.097 120 M CB -0.462 32.098 32.600 -0.066 0.000 1.382 120 M HN 0.366 nan 8.290 nan 0.000 0.413 121 R N -0.161 120.300 120.500 -0.065 0.000 2.307 121 R HA 0.172 4.512 4.340 -0.000 0.000 0.199 121 R C 1.060 177.337 176.300 -0.037 0.000 1.000 121 R CA 0.349 56.423 56.100 -0.042 0.000 1.023 121 R CB -0.440 29.839 30.300 -0.035 0.000 0.908 121 R HN 0.468 nan 8.270 nan 0.000 0.473 122 G N 0.969 109.740 108.800 -0.049 0.000 2.580 122 G HA2 0.149 4.109 3.960 -0.000 0.000 0.278 122 G HA3 0.149 4.109 3.960 -0.000 0.000 0.278 122 G C -1.759 173.126 174.900 -0.025 0.000 1.212 122 G CA -1.112 43.967 45.100 -0.035 0.000 0.939 122 G HN -0.130 nan 8.290 nan 0.000 0.513 123 P HA -0.073 nan 4.420 nan 0.000 0.216 123 P C 1.755 179.049 177.300 -0.010 0.000 1.150 123 P CA 0.968 64.062 63.100 -0.010 0.000 0.843 123 P CB 0.175 31.872 31.700 -0.005 0.000 0.787 124 R N -1.287 119.207 120.500 -0.011 0.000 2.275 124 R HA 0.154 4.494 4.340 -0.000 0.000 0.199 124 R C 1.672 177.964 176.300 -0.013 0.000 0.989 124 R CA 0.533 56.629 56.100 -0.007 0.000 1.016 124 R CB -0.697 29.603 30.300 0.001 0.000 0.918 124 R HN 0.177 nan 8.270 nan 0.000 0.473 125 G N 1.850 110.636 108.800 -0.024 0.000 2.672 125 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.324 125 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.324 125 G C 0.863 175.748 174.900 -0.025 0.000 1.286 125 G CA 0.584 45.668 45.100 -0.027 0.000 1.004 125 G HN 0.236 nan 8.290 nan 0.000 0.548 126 L N 0.475 121.688 121.223 -0.016 0.000 2.081 126 L HA -0.137 4.203 4.340 -0.000 0.000 0.212 126 L C 3.027 179.897 176.870 -0.001 0.000 1.080 126 L CA 2.275 57.109 54.840 -0.009 0.000 0.754 126 L CB -0.552 41.503 42.059 -0.008 0.000 0.893 126 L HN 0.522 nan 8.230 nan 0.000 0.433 127 K N 0.005 120.406 120.400 0.001 0.000 2.147 127 K HA -0.116 4.204 4.320 -0.000 0.000 0.205 127 K C 2.195 178.812 176.600 0.030 0.000 1.049 127 K CA 1.282 57.576 56.287 0.012 0.000 0.936 127 K CB -0.175 32.331 32.500 0.010 0.000 0.722 127 K HN 0.314 nan 8.250 nan 0.000 0.446 128 A N 0.917 123.747 122.820 0.015 0.000 1.970 128 A HA -0.046 4.274 4.320 -0.000 0.000 0.216 128 A C 2.296 179.910 177.584 0.050 0.000 1.170 128 A CA 0.790 52.842 52.037 0.026 0.000 0.645 128 A CB -0.290 18.692 19.000 -0.029 0.000 0.816 128 A HN 0.038 nan 8.150 nan 0.000 0.447 129 V N -0.435 119.487 119.914 0.014 0.000 2.358 129 V HA 0.168 4.288 4.120 -0.000 0.000 0.246 129 V C 1.595 177.810 176.094 0.200 0.000 1.047 129 V CA 1.124 63.463 62.300 0.065 0.000 1.035 129 V CB -1.870 29.966 31.823 0.021 0.000 0.658 129 V HN 1.199 nan 8.190 nan 0.000 0.452 130 G N 0.591 109.457 108.800 0.110 0.000 2.787 130 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.685 130 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.685 130 G C -1.582 173.314 174.900 -0.008 0.000 1.437 130 G CA -0.088 45.057 45.100 0.077 0.000 0.872 130 G HN 0.309 nan 8.290 nan 0.000 0.566 131 P HA 0.195 nan 4.420 nan 0.000 0.257 131 P C 0.316 177.384 177.300 -0.386 0.000 1.281 131 P CA 0.687 63.605 63.100 -0.302 0.000 0.826 131 P CB 0.037 31.495 31.700 -0.404 0.000 1.237 132 Y N -1.339 118.965 120.300 0.007 0.000 2.467 132 Y HA 0.082 4.632 4.550 0.000 0.000 0.250 132 Y C 2.308 178.199 175.900 -0.014 0.000 1.155 132 Y CA -0.044 58.038 58.100 -0.031 0.000 1.249 132 Y CB -0.420 37.923 38.460 -0.196 0.000 1.146 132 Y HN -0.276 nan 8.280 nan 0.000 0.524 133 V N -1.009 119.002 119.914 0.162 0.000 2.490 133 V HA -0.252 3.868 4.120 -0.000 0.000 0.250 133 V C 2.089 178.259 176.094 0.126 0.000 1.061 133 V CA 1.635 64.036 62.300 0.169 0.000 1.064 133 V CB -0.834 31.148 31.823 0.265 0.000 0.670 133 V HN 0.239 nan 8.190 nan 0.000 0.461 134 V N 1.134 121.114 119.914 0.110 0.000 2.343 134 V HA -0.260 3.860 4.120 -0.000 0.000 0.247 134 V C 2.765 178.908 176.094 0.082 0.000 1.051 134 V CA 2.551 64.904 62.300 0.088 0.000 1.036 134 V CB -1.338 30.525 31.823 0.068 0.000 0.654 134 V HN 0.818 nan 8.190 nan 0.000 0.451 135 T N -2.277 112.342 114.554 0.108 0.000 3.023 135 T HA -0.105 4.245 4.350 -0.000 0.000 0.266 135 T C 1.758 176.482 174.700 0.040 0.000 1.093 135 T CA 1.024 63.176 62.100 0.085 0.000 1.129 135 T CB -0.184 68.779 68.868 0.158 0.000 0.899 135 T HN 0.455 nan 8.240 nan 0.000 0.491 136 K N 1.102 121.499 120.400 -0.006 0.000 2.076 136 K HA 0.306 4.626 4.320 -0.000 0.000 0.204 136 K C 2.632 179.256 176.600 0.039 0.000 1.051 136 K CA 1.054 57.279 56.287 -0.103 0.000 0.949 136 K CB -0.194 32.043 32.500 -0.439 0.000 0.726 136 K HN 0.415 nan 8.250 nan 0.000 0.443 137 A N 1.754 124.631 122.820 0.096 0.000 2.081 137 A HA 0.076 4.396 4.320 -0.000 0.000 0.214 137 A C 1.210 178.843 177.584 0.082 0.000 1.158 137 A CA -0.059 52.052 52.037 0.122 0.000 0.724 137 A CB -0.424 18.666 19.000 0.150 0.000 0.826 137 A HN 0.329 nan 8.150 nan 0.000 0.463 138 M N -1.771 117.868 119.600 0.065 0.000 2.250 138 M HA 0.486 4.966 4.480 -0.000 0.000 0.325 138 M C 0.956 177.288 176.300 0.052 0.000 1.084 138 M CA 0.437 55.769 55.300 0.053 0.000 1.161 138 M CB 0.506 33.133 32.600 0.045 0.000 1.481 138 M HN 0.040 nan 8.290 nan 0.000 0.449 139 A N 1.749 124.599 122.820 0.049 0.000 2.019 139 A HA -0.093 4.227 4.320 -0.000 0.000 0.219 139 A C 2.029 179.648 177.584 0.058 0.000 1.164 139 A CA 1.808 53.876 52.037 0.053 0.000 0.644 139 A CB -0.950 18.079 19.000 0.049 0.000 0.805 139 A HN 1.006 nan 8.150 nan 0.000 0.449 140 S N -0.963 114.771 115.700 0.056 0.000 2.634 140 S HA 0.275 4.745 4.470 -0.000 0.000 0.221 140 S C 1.668 176.301 174.600 0.054 0.000 0.952 140 S CA 0.579 58.818 58.200 0.064 0.000 0.930 140 S CB -0.350 62.890 63.200 0.066 0.000 0.780 140 S HN 0.573 nan 8.310 nan 0.000 0.498 141 G N 2.136 110.964 108.800 0.047 0.000 2.505 141 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.220 141 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.220 141 G C 1.286 176.211 174.900 0.042 0.000 1.145 141 G CA 1.279 46.401 45.100 0.037 0.000 0.761 141 G HN 0.493 nan 8.290 nan 0.000 0.571 142 V N 1.617 121.563 119.914 0.053 0.000 2.358 142 V HA -0.186 3.934 4.120 -0.000 0.000 0.246 142 V C 3.239 179.375 176.094 0.071 0.000 1.047 142 V CA 2.385 64.722 62.300 0.063 0.000 1.035 142 V CB -0.319 31.542 31.823 0.063 0.000 0.658 142 V HN 0.633 nan 8.190 nan 0.000 0.452 143 S N 0.902 116.640 115.700 0.063 0.000 2.377 143 S HA -0.035 4.435 4.470 -0.000 0.000 0.223 143 S C 2.135 176.770 174.600 0.059 0.000 1.030 143 S CA 1.056 59.291 58.200 0.058 0.000 0.970 143 S CB -0.479 62.754 63.200 0.055 0.000 0.830 143 S HN 0.521 nan 8.310 nan 0.000 0.473 144 A N 0.853 123.701 122.820 0.045 0.000 1.902 144 A HA -0.047 4.273 4.320 -0.000 0.000 0.217 144 A C 2.361 179.951 177.584 0.010 0.000 1.181 144 A CA 1.474 53.522 52.037 0.018 0.000 0.623 144 A CB -1.461 17.536 19.000 -0.006 0.000 0.818 144 A HN 0.688 nan 8.150 nan 0.000 0.443 145 C N -1.211 118.107 119.300 0.031 0.000 2.472 145 C HA 0.138 4.598 4.460 -0.000 0.000 0.278 145 C C 2.239 177.307 174.990 0.130 0.000 1.447 145 C CA 0.685 59.727 59.018 0.041 0.000 1.773 145 C CB -1.222 26.543 27.740 0.041 0.000 1.793 145 C HN 0.530 nan 8.230 nan 0.000 0.544 146 L N 0.241 121.572 121.223 0.179 0.000 2.388 146 L HA 0.263 4.603 4.340 -0.000 0.000 0.209 146 L C 2.604 179.646 176.870 0.286 0.000 1.061 146 L CA 1.428 56.463 54.840 0.325 0.000 0.834 146 L CB -1.096 41.133 42.059 0.283 0.000 1.029 146 L HN 0.164 nan 8.230 nan 0.000 0.473 147 A N -0.719 122.198 122.820 0.161 0.000 1.908 147 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 147 A C 2.314 179.975 177.584 0.128 0.000 1.181 147 A CA 2.506 54.627 52.037 0.140 0.000 0.627 147 A CB -0.992 18.061 19.000 0.088 0.000 0.818 147 A HN 0.394 nan 8.150 nan 0.000 0.445 148 T N 0.460 115.055 114.554 0.069 0.000 2.614 148 T HA -0.080 4.270 4.350 -0.000 0.000 0.263 148 T C -0.007 174.704 174.700 0.018 0.000 1.055 148 T CA 1.737 63.853 62.100 0.027 0.000 1.162 148 T CB -1.140 67.698 68.868 -0.050 0.000 0.863 148 T HN 0.520 nan 8.240 nan 0.000 0.414 149 P HA -0.035 nan 4.420 nan 0.000 0.217 149 P C 0.936 178.108 177.300 -0.213 0.000 1.150 149 P CA 1.186 64.217 63.100 -0.116 0.000 0.832 149 P CB -0.294 31.337 31.700 -0.115 0.000 0.787 150 F N 0.358 120.355 119.950 0.078 0.000 2.811 150 F HA 0.153 4.680 4.527 -0.000 0.000 0.301 150 F C 0.984 176.827 175.800 0.071 0.000 1.151 150 F CA 0.108 58.145 58.000 0.062 0.000 1.412 150 F CB -0.532 38.434 39.000 -0.057 0.000 1.113 150 F HN -0.184 nan 8.300 nan 0.000 0.579 151 K N 0.906 121.390 120.400 0.140 0.000 3.148 151 K HA -0.195 4.125 4.320 -0.000 0.000 0.267 151 K C -0.522 176.131 176.600 0.089 0.000 0.996 151 K CA -0.014 56.318 56.287 0.075 0.000 0.737 151 K CB -1.749 30.728 32.500 -0.039 0.000 1.308 151 K HN 0.145 nan 8.250 nan 0.000 0.470 152 I N 1.034 121.718 120.570 0.190 0.000 2.496 152 I HA 0.007 4.177 4.170 -0.000 0.000 0.285 152 I C 1.787 178.078 176.117 0.290 0.000 1.080 152 I CA 0.480 61.906 61.300 0.210 0.000 1.404 152 I CB 0.607 38.726 38.000 0.198 0.000 1.403 152 I HN 0.289 nan 8.210 nan 0.000 0.539 153 H N 3.216 122.334 119.070 0.079 0.000 2.750 153 H HA 0.169 4.725 4.556 0.000 0.000 0.263 153 H C 1.373 176.724 175.328 0.037 0.000 0.964 153 H CA 0.033 56.110 56.048 0.048 0.000 1.205 153 H CB 1.345 31.130 29.762 0.038 0.000 1.454 153 H HN 0.770 nan 8.280 nan 0.000 0.503 154 G N 1.060 109.952 108.800 0.154 0.000 2.624 154 G HA2 0.214 4.174 3.960 -0.000 0.000 0.217 154 G HA3 0.214 4.174 3.960 -0.000 0.000 0.217 154 G C 0.146 175.069 174.900 0.038 0.000 1.506 154 G CA 0.067 45.212 45.100 0.075 0.000 1.072 154 G HN 0.131 nan 8.290 nan 0.000 0.568 155 V N -0.757 119.151 119.914 -0.010 0.000 2.872 155 V HA 0.428 4.548 4.120 -0.000 0.000 0.307 155 V C -0.223 175.787 176.094 -0.140 0.000 1.072 155 V CA -0.168 62.087 62.300 -0.074 0.000 1.148 155 V CB 1.034 32.760 31.823 -0.161 0.000 0.954 155 V HN 0.792 nan 8.190 nan 0.000 0.490 156 N N 3.368 121.971 118.700 -0.160 0.000 2.655 156 N HA 0.546 5.286 4.740 -0.000 0.000 0.277 156 N C -1.172 174.320 175.510 -0.031 0.000 1.177 156 N CA -0.517 52.462 53.050 -0.117 0.000 0.882 156 N CB 1.254 39.748 38.487 0.011 0.000 1.481 156 N HN 1.043 nan 8.380 nan 0.000 0.547 157 Y N -1.117 119.206 120.300 0.038 0.000 2.814 157 Y HA 0.620 5.170 4.550 0.000 0.000 0.348 157 Y C -1.447 174.473 175.900 0.033 0.000 1.245 157 Y CA -1.215 56.903 58.100 0.030 0.000 1.086 157 Y CB 0.418 38.892 38.460 0.023 0.000 1.373 157 Y HN 0.140 nan 8.280 nan 0.000 0.451 158 S N 2.135 118.026 115.700 0.318 0.000 2.472 158 S HA 0.668 5.138 4.470 -0.000 0.000 0.303 158 S C -0.943 173.794 174.600 0.229 0.000 1.099 158 S CA -0.661 57.664 58.200 0.209 0.000 1.077 158 S CB 1.075 64.352 63.200 0.128 0.000 1.031 158 S HN 0.439 nan 8.310 nan 0.000 0.487 159 I N 2.218 122.906 120.570 0.196 0.000 2.498 159 I HA 0.497 4.667 4.170 -0.000 0.000 0.301 159 I C 0.376 176.568 176.117 0.126 0.000 0.984 159 I CA -0.370 61.024 61.300 0.156 0.000 1.204 159 I CB 1.590 39.693 38.000 0.171 0.000 1.362 159 I HN 0.464 nan 8.210 nan 0.000 0.471 160 S N 2.816 118.578 115.700 0.103 0.000 2.557 160 S HA 0.596 5.066 4.470 -0.000 0.000 0.291 160 S C -0.240 174.432 174.600 0.120 0.000 1.116 160 S CA -0.511 57.752 58.200 0.105 0.000 0.992 160 S CB 1.539 64.788 63.200 0.082 0.000 1.028 160 S HN 0.691 nan 8.310 nan 0.000 0.484 161 S N 1.186 116.985 115.700 0.164 0.000 2.589 161 S HA 0.616 5.086 4.470 -0.000 0.000 0.210 161 S C 0.426 175.154 174.600 0.213 0.000 0.803 161 S CA -0.056 58.267 58.200 0.205 0.000 1.061 161 S CB -0.236 63.166 63.200 0.336 0.000 1.637 161 S HN 1.620 nan 8.310 nan 0.000 0.462 162 A N 0.916 123.841 122.820 0.175 0.000 5.391 162 A HA -0.357 3.963 4.320 -0.000 0.000 0.315 162 A C 1.738 179.414 177.584 0.153 0.000 1.874 162 A CA 1.365 53.512 52.037 0.182 0.000 0.714 162 A CB -2.317 16.845 19.000 0.269 0.000 1.335 162 A HN 1.610 nan 8.150 nan 0.000 0.382 163 C N 0.095 119.517 119.300 0.204 0.000 2.430 163 C HA 0.310 4.770 4.460 -0.000 0.000 0.288 163 C C 2.711 177.788 174.990 0.145 0.000 1.448 163 C CA 1.246 60.379 59.018 0.191 0.000 1.784 163 C CB -2.035 25.985 27.740 0.467 0.000 1.776 163 C HN 1.526 nan 8.230 nan 0.000 0.547 164 A N 0.255 123.152 122.820 0.128 0.000 2.308 164 A HA 0.139 4.459 4.320 -0.000 0.000 0.217 164 A C 1.922 179.533 177.584 0.044 0.000 1.216 164 A CA 0.895 52.943 52.037 0.018 0.000 0.864 164 A CB -0.653 18.328 19.000 -0.031 0.000 0.902 164 A HN 0.454 nan 8.150 nan 0.000 0.499 165 T N 1.468 116.096 114.554 0.124 0.000 2.564 165 T HA -0.256 4.094 4.350 -0.000 0.000 0.264 165 T C 2.192 176.949 174.700 0.096 0.000 1.100 165 T CA 2.641 64.824 62.100 0.139 0.000 1.171 165 T CB -0.461 68.464 68.868 0.096 0.000 0.863 165 T HN 0.785 nan 8.240 nan 0.000 0.430 166 S N 1.177 116.895 115.700 0.030 0.000 2.522 166 S HA 0.319 4.789 4.470 -0.000 0.000 0.227 166 S C 2.204 176.784 174.600 -0.034 0.000 0.986 166 S CA 0.583 58.783 58.200 0.000 0.000 0.929 166 S CB -0.266 62.918 63.200 -0.028 0.000 0.769 166 S HN 0.548 nan 8.310 nan 0.000 0.529 167 A N 1.914 124.699 122.820 -0.057 0.000 1.898 167 A HA 0.038 4.358 4.320 -0.000 0.000 0.214 167 A C 1.886 179.422 177.584 -0.080 0.000 1.183 167 A CA 1.168 53.144 52.037 -0.102 0.000 0.622 167 A CB -1.002 17.909 19.000 -0.149 0.000 0.824 167 A HN 0.639 nan 8.150 nan 0.000 0.444 168 H N -1.493 117.612 119.070 0.059 0.000 2.421 168 H HA -0.142 4.414 4.556 0.000 0.000 0.298 168 H C 2.169 177.480 175.328 -0.028 0.000 1.087 168 H CA 1.301 57.403 56.048 0.090 0.000 1.330 168 H CB -0.157 29.694 29.762 0.148 0.000 1.388 168 H HN 0.538 nan 8.280 nan 0.000 0.526 169 C N 0.141 119.496 119.300 0.093 0.000 2.432 169 C HA -0.121 4.339 4.460 -0.000 0.000 0.277 169 C C 2.690 177.633 174.990 -0.078 0.000 1.249 169 C CA 0.698 59.734 59.018 0.029 0.000 1.725 169 C CB -0.782 26.971 27.740 0.021 0.000 2.028 169 C HN 0.529 nan 8.230 nan 0.000 0.477 170 I N 1.111 121.605 120.570 -0.127 0.000 2.179 170 I HA -0.134 4.036 4.170 -0.000 0.000 0.242 170 I C 2.714 178.631 176.117 -0.334 0.000 1.088 170 I CA 1.839 63.026 61.300 -0.190 0.000 1.357 170 I CB -0.902 36.995 38.000 -0.172 0.000 1.051 170 I HN 0.456 nan 8.210 nan 0.000 0.409 171 G N 0.544 108.982 108.800 -0.604 0.000 2.421 171 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.216 171 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.216 171 G C 1.495 175.980 174.900 -0.692 0.000 1.171 171 G CA 0.774 45.021 45.100 -1.422 0.000 0.775 171 G HN 0.332 nan 8.290 nan 0.000 0.543 172 N N 1.180 119.709 118.700 -0.284 0.000 2.223 172 N HA -0.089 4.651 4.740 -0.000 0.000 0.185 172 N C 2.499 177.980 175.510 -0.049 0.000 1.016 172 N CA 1.229 54.266 53.050 -0.023 0.000 0.863 172 N CB -0.150 38.402 38.487 0.108 0.000 0.983 172 N HN 0.267 nan 8.380 nan 0.000 0.429 173 A N 0.591 123.342 122.820 -0.115 0.000 1.873 173 A HA -0.054 4.266 4.320 -0.000 0.000 0.215 173 A C 2.506 180.025 177.584 -0.108 0.000 1.186 173 A CA 1.121 53.089 52.037 -0.115 0.000 0.616 173 A CB -0.800 18.117 19.000 -0.139 0.000 0.823 173 A HN 0.144 nan 8.150 nan 0.000 0.442 174 V N 0.346 120.179 119.914 -0.135 0.000 2.392 174 V HA -0.297 3.823 4.120 -0.000 0.000 0.249 174 V C 2.396 178.471 176.094 -0.031 0.000 1.059 174 V CA 2.369 64.615 62.300 -0.090 0.000 1.051 174 V CB -0.845 30.916 31.823 -0.103 0.000 0.658 174 V HN 0.646 nan 8.190 nan 0.000 0.455 175 E N -0.714 119.481 120.200 -0.007 0.000 2.153 175 E HA -0.232 4.118 4.350 -0.000 0.000 0.194 175 E C 2.381 178.996 176.600 0.025 0.000 0.988 175 E CA 0.999 57.426 56.400 0.045 0.000 0.811 175 E CB -0.117 29.639 29.700 0.094 0.000 0.746 175 E HN 0.556 nan 8.360 nan 0.000 0.466 176 Q N 0.311 120.113 119.800 0.003 0.000 2.079 176 Q HA -0.104 4.236 4.340 -0.000 0.000 0.200 176 Q C 2.268 178.255 176.000 -0.022 0.000 0.974 176 Q CA 1.010 56.810 55.803 -0.005 0.000 0.840 176 Q CB -0.166 28.555 28.738 -0.028 0.000 0.898 176 Q HN 0.402 nan 8.270 nan 0.000 0.430 177 I N 0.738 121.285 120.570 -0.039 0.000 2.202 177 I HA -0.301 3.869 4.170 -0.000 0.000 0.242 177 I C 2.407 178.514 176.117 -0.017 0.000 1.091 177 I CA 1.114 62.388 61.300 -0.043 0.000 1.368 177 I CB -0.179 37.786 38.000 -0.059 0.000 1.058 177 I HN 0.247 nan 8.210 nan 0.000 0.410 178 Q N 0.353 120.153 119.800 -0.001 0.000 2.124 178 Q HA -0.162 4.178 4.340 -0.000 0.000 0.202 178 Q C 2.136 178.146 176.000 0.016 0.000 0.977 178 Q CA 1.263 57.074 55.803 0.014 0.000 0.850 178 Q CB -0.097 28.660 28.738 0.032 0.000 0.901 178 Q HN 0.524 nan 8.270 nan 0.000 0.429 179 L N -0.417 120.817 121.223 0.017 0.000 2.610 179 L HA 0.036 4.376 4.340 -0.000 0.000 0.232 179 L C 1.153 178.030 176.870 0.011 0.000 1.149 179 L CA 0.407 55.258 54.840 0.019 0.000 0.872 179 L CB -0.354 41.720 42.059 0.026 0.000 0.992 179 L HN 0.454 nan 8.230 nan 0.000 0.447 180 G N 0.163 108.965 108.800 0.004 0.000 2.166 180 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.260 180 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.260 180 G C 1.049 175.947 174.900 -0.003 0.000 0.986 180 G CA 0.699 45.799 45.100 -0.000 0.000 0.683 180 G HN 0.411 nan 8.290 nan 0.000 0.527 181 K N -0.882 119.516 120.400 -0.003 0.000 2.305 181 K HA 0.094 4.414 4.320 -0.000 0.000 0.199 181 K C 0.957 177.546 176.600 -0.018 0.000 1.047 181 K CA 0.800 57.086 56.287 -0.001 0.000 0.976 181 K CB 0.067 32.574 32.500 0.011 0.000 0.765 181 K HN 0.435 nan 8.250 nan 0.000 0.474 182 Q N -0.368 119.407 119.800 -0.042 0.000 2.421 182 Q HA 0.138 4.478 4.340 -0.000 0.000 0.280 182 Q C -0.520 175.406 176.000 -0.123 0.000 1.085 182 Q CA -0.372 55.386 55.803 -0.076 0.000 0.807 182 Q CB 1.971 30.656 28.738 -0.088 0.000 1.405 182 Q HN -0.059 nan 8.270 nan 0.000 0.419 183 D N 0.267 120.550 120.400 -0.195 0.000 2.277 183 D HA 0.259 4.899 4.640 -0.000 0.000 0.209 183 D C 0.291 176.355 176.300 -0.393 0.000 0.970 183 D CA 0.890 54.688 54.000 -0.338 0.000 0.874 183 D CB 1.180 41.627 40.800 -0.588 0.000 0.982 183 D HN 0.365 nan 8.370 nan 0.000 0.504 184 I N 0.481 120.843 120.570 -0.347 0.000 2.722 184 I HA 0.264 4.434 4.170 -0.000 0.000 0.295 184 I C -1.211 174.686 176.117 -0.367 0.000 1.161 184 I CA -0.803 60.261 61.300 -0.393 0.000 1.032 184 I CB 3.374 41.088 38.000 -0.477 0.000 1.244 184 I HN -0.420 nan 8.210 nan 0.000 0.421 185 V N 5.534 125.204 119.914 -0.406 0.000 2.569 185 V HA 0.387 4.506 4.120 -0.000 0.000 0.301 185 V C -0.733 175.126 176.094 -0.393 0.000 1.044 185 V CA -0.592 61.518 62.300 -0.318 0.000 0.874 185 V CB 1.782 33.489 31.823 -0.193 0.000 1.002 185 V HN 0.386 nan 8.190 nan 0.000 0.424 186 F N 3.375 123.226 119.950 -0.166 0.000 2.438 186 F HA 0.665 5.192 4.527 -0.000 0.000 0.356 186 F C 0.759 176.462 175.800 -0.163 0.000 1.099 186 F CA 0.057 57.942 58.000 -0.192 0.000 1.185 186 F CB 1.110 39.958 39.000 -0.254 0.000 1.115 186 F HN 0.579 nan 8.300 nan 0.000 0.526 187 A N 2.580 125.393 122.820 -0.011 0.000 2.371 187 A HA 0.932 5.252 4.320 -0.000 0.000 0.311 187 A C -0.059 177.500 177.584 -0.042 0.000 1.068 187 A CA 0.087 52.098 52.037 -0.044 0.000 0.744 187 A CB 1.433 20.380 19.000 -0.089 0.000 1.239 187 A HN 1.001 nan 8.150 nan 0.000 0.435 188 G N -0.252 108.528 108.800 -0.033 0.000 2.441 188 G HA2 0.757 4.717 3.960 -0.000 0.000 0.225 188 G HA3 0.757 4.717 3.960 -0.000 0.000 0.225 188 G C -0.193 174.699 174.900 -0.013 0.000 1.200 188 G CA 0.392 45.471 45.100 -0.036 0.000 0.947 188 G HN 2.273 nan 8.290 nan 0.000 0.484 189 G N -2.178 106.619 108.800 -0.006 0.000 2.349 189 G HA2 0.789 4.749 3.960 -0.000 0.000 0.294 189 G HA3 0.789 4.749 3.960 -0.000 0.000 0.294 189 G C -0.608 174.314 174.900 0.036 0.000 1.380 189 G CA 0.585 45.696 45.100 0.018 0.000 0.811 189 G HN 2.019 nan 8.290 nan 0.000 0.519 190 G N -1.222 107.613 108.800 0.058 0.000 2.692 190 G HA2 0.690 4.650 3.960 -0.000 0.000 0.291 190 G HA3 0.690 4.650 3.960 -0.000 0.000 0.291 190 G C -1.940 173.016 174.900 0.093 0.000 1.423 190 G CA -0.341 44.822 45.100 0.104 0.000 0.843 190 G HN 0.700 nan 8.290 nan 0.000 0.486 191 E N -0.259 120.026 120.200 0.142 0.000 2.321 191 E HA 0.350 4.700 4.350 -0.000 0.000 0.281 191 E C -0.292 176.410 176.600 0.169 0.000 0.910 191 E CA -0.672 55.786 56.400 0.097 0.000 0.770 191 E CB 1.532 31.244 29.700 0.020 0.000 1.225 191 E HN 0.699 nan 8.360 nan 0.000 0.417 192 E N 2.922 123.186 120.200 0.107 0.000 2.345 192 E HA 0.445 4.795 4.350 -0.000 0.000 0.259 192 E C -0.725 175.919 176.600 0.073 0.000 1.117 192 E CA -0.880 55.584 56.400 0.107 0.000 0.913 192 E CB 1.221 30.939 29.700 0.031 0.000 1.057 192 E HN 0.240 nan 8.360 nan 0.000 0.432 193 L N 2.083 123.327 121.223 0.035 0.000 2.349 193 L HA 0.459 4.799 4.340 -0.000 0.000 0.278 193 L C -1.280 175.607 176.870 0.029 0.000 0.996 193 L CA -0.370 54.447 54.840 -0.039 0.000 0.825 193 L CB 0.887 42.769 42.059 -0.295 0.000 1.243 193 L HN 0.931 nan 8.230 nan 0.000 0.412 194 C N 2.321 121.704 119.300 0.138 0.000 3.284 194 C HA 0.422 4.882 4.460 -0.000 0.000 0.338 194 C C 1.041 176.131 174.990 0.166 0.000 1.237 194 C CA -1.003 58.106 59.018 0.151 0.000 1.276 194 C CB 0.606 28.303 27.740 -0.071 0.000 1.601 194 C HN 1.050 nan 8.230 nan 0.000 0.494 195 W N 1.094 122.502 121.300 0.180 0.000 2.374 195 W HA 0.014 4.674 4.660 -0.000 0.000 0.288 195 W C 1.046 177.624 176.519 0.098 0.000 1.218 195 W CA 1.836 59.252 57.345 0.118 0.000 1.245 195 W CB -1.112 28.380 29.460 0.053 0.000 1.126 195 W HN 0.882 nan 8.180 nan 0.000 0.545 196 E N 0.782 120.339 120.200 -1.072 0.000 2.097 196 E HA -0.262 4.088 4.350 -0.000 0.000 0.196 196 E C 2.367 178.787 176.600 -0.300 0.000 1.000 196 E CA 2.683 58.487 56.400 -0.995 0.000 0.804 196 E CB -0.708 28.436 29.700 -0.927 0.000 0.740 196 E HN 0.299 nan 8.360 nan 0.000 0.454 197 M N -0.666 118.858 119.600 -0.125 0.000 2.325 197 M HA 0.085 4.565 4.480 -0.000 0.000 0.265 197 M C 2.118 178.549 176.300 0.219 0.000 1.094 197 M CA 1.092 56.424 55.300 0.053 0.000 1.161 197 M CB 0.084 32.749 32.600 0.109 0.000 1.358 197 M HN 0.197 nan 8.290 nan 0.000 0.446 198 A N 0.414 123.379 122.820 0.241 0.000 1.940 198 A HA -0.241 4.079 4.320 -0.000 0.000 0.219 198 A C 2.284 180.042 177.584 0.290 0.000 1.176 198 A CA 1.855 54.086 52.037 0.325 0.000 0.631 198 A CB -1.681 17.487 19.000 0.280 0.000 0.814 198 A HN 0.854 nan 8.150 nan 0.000 0.446 199 C N -0.556 118.889 119.300 0.243 0.000 2.419 199 C HA -0.047 4.413 4.460 -0.000 0.000 0.281 199 C C 2.134 177.193 174.990 0.116 0.000 1.336 199 C CA 0.919 60.059 59.018 0.203 0.000 1.770 199 C CB -1.560 26.345 27.740 0.275 0.000 1.929 199 C HN 0.663 nan 8.230 nan 0.000 0.509 200 E N 0.570 120.804 120.200 0.058 0.000 2.106 200 E HA -0.103 4.247 4.350 -0.000 0.000 0.192 200 E C 1.732 178.216 176.600 -0.192 0.000 0.984 200 E CA 1.414 57.749 56.400 -0.108 0.000 0.806 200 E CB -0.336 29.217 29.700 -0.245 0.000 0.750 200 E HN 0.773 nan 8.360 nan 0.000 0.458 201 F N 1.180 121.138 119.950 0.013 0.000 2.206 201 F HA -0.108 4.419 4.527 0.000 0.000 0.298 201 F C 2.216 177.999 175.800 -0.028 0.000 1.090 201 F CA 0.914 58.910 58.000 -0.007 0.000 1.323 201 F CB -0.084 38.915 39.000 -0.001 0.000 1.028 201 F HN -0.041 nan 8.300 nan 0.000 0.492 202 D N 0.405 120.890 120.400 0.141 0.000 2.117 202 D HA -0.142 4.497 4.640 -0.000 0.000 0.197 202 D C 2.293 178.628 176.300 0.058 0.000 0.987 202 D CA 1.296 55.340 54.000 0.074 0.000 0.829 202 D CB -0.259 40.589 40.800 0.080 0.000 0.961 202 D HN 0.157 nan 8.370 nan 0.000 0.460 203 A N 0.180 123.030 122.820 0.050 0.000 2.024 203 A HA -0.130 4.190 4.320 -0.000 0.000 0.220 203 A C 2.263 179.868 177.584 0.035 0.000 1.164 203 A CA 1.173 53.231 52.037 0.034 0.000 0.643 203 A CB -0.540 18.471 19.000 0.019 0.000 0.806 203 A HN 0.314 nan 8.150 nan 0.000 0.451 204 M N -1.530 118.094 119.600 0.040 0.000 2.561 204 M HA 0.132 4.612 4.480 -0.000 0.000 0.238 204 M C 1.366 177.732 176.300 0.109 0.000 1.131 204 M CA 0.746 56.093 55.300 0.078 0.000 1.046 204 M CB 0.093 32.757 32.600 0.107 0.000 1.532 204 M HN 0.633 nan 8.290 nan 0.000 0.497 205 G N 0.625 109.474 108.800 0.083 0.000 2.160 205 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.251 205 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.251 205 G C 0.784 175.739 174.900 0.092 0.000 1.008 205 G CA 0.420 45.565 45.100 0.074 0.000 0.724 205 G HN 0.573 nan 8.290 nan 0.000 0.514 206 A N -0.922 121.965 122.820 0.111 0.000 2.081 206 A HA 0.635 4.955 4.320 -0.000 0.000 0.214 206 A C 1.307 178.788 177.584 -0.171 0.000 1.158 206 A CA 0.782 52.892 52.037 0.121 0.000 0.724 206 A CB 0.109 19.322 19.000 0.354 0.000 0.826 206 A HN 0.661 nan 8.150 nan 0.000 0.463 207 L N -0.066 121.024 121.223 -0.223 0.000 2.379 207 L HA 0.352 4.692 4.340 -0.000 0.000 0.269 207 L C 0.717 177.522 176.870 -0.107 0.000 1.084 207 L CA -0.566 54.085 54.840 -0.316 0.000 0.802 207 L CB 1.447 43.361 42.059 -0.242 0.000 1.175 207 L HN 0.154 nan 8.230 nan 0.000 0.448 208 S N 0.111 115.775 115.700 -0.059 0.000 2.533 208 S HA 0.137 4.607 4.470 -0.000 0.000 0.282 208 S C 0.774 175.390 174.600 0.027 0.000 1.304 208 S CA 0.099 58.330 58.200 0.051 0.000 1.063 208 S CB 0.417 63.689 63.200 0.120 0.000 0.881 208 S HN 0.823 nan 8.310 nan 0.000 0.493 209 T N 1.564 116.127 114.554 0.015 0.000 3.016 209 T HA 0.341 4.691 4.350 -0.000 0.000 0.271 209 T C 0.905 175.541 174.700 -0.107 0.000 0.968 209 T CA -0.405 61.654 62.100 -0.068 0.000 0.891 209 T CB -0.082 68.736 68.868 -0.084 0.000 1.149 209 T HN 0.594 nan 8.240 nan 0.000 0.524 210 K N 0.221 120.550 120.400 -0.117 0.000 2.404 210 K HA 0.240 4.560 4.320 -0.000 0.000 0.194 210 K C -0.276 176.010 176.600 -0.522 0.000 1.023 210 K CA 0.345 56.424 56.287 -0.346 0.000 1.094 210 K CB 0.155 32.369 32.500 -0.477 0.000 0.841 210 K HN 0.462 nan 8.250 nan 0.000 0.523 211 Y N -0.210 120.085 120.300 -0.007 0.000 2.716 211 Y HA 0.205 4.755 4.550 0.000 0.000 0.260 211 Y C 0.795 176.716 175.900 0.035 0.000 1.141 211 Y CA -0.682 57.428 58.100 0.016 0.000 1.168 211 Y CB 0.074 38.553 38.460 0.032 0.000 1.189 211 Y HN -0.006 nan 8.280 nan 0.000 0.549 212 N N 0.641 119.407 118.700 0.110 0.000 2.272 212 N HA -0.166 4.574 4.740 -0.000 0.000 0.185 212 N C 0.956 176.579 175.510 0.189 0.000 1.014 212 N CA 1.401 54.550 53.050 0.167 0.000 0.870 212 N CB 0.039 38.586 38.487 0.100 0.000 0.975 212 N HN 0.462 nan 8.380 nan 0.000 0.433 213 D N -0.121 120.338 120.400 0.098 0.000 2.312 213 D HA -0.029 4.611 4.640 -0.000 0.000 0.211 213 D C 0.416 176.757 176.300 0.069 0.000 0.964 213 D CA 0.875 54.901 54.000 0.045 0.000 0.877 213 D CB 0.119 40.925 40.800 0.011 0.000 0.924 213 D HN 0.330 nan 8.370 nan 0.000 0.515 214 T N -2.070 112.561 114.554 0.128 0.000 3.317 214 T HA 0.334 4.684 4.350 -0.000 0.000 0.361 214 T C -2.327 172.461 174.700 0.146 0.000 1.499 214 T CA -1.691 60.483 62.100 0.125 0.000 1.529 214 T CB 1.915 70.864 68.868 0.135 0.000 0.997 214 T HN -0.293 nan 8.240 nan 0.000 0.624 215 P HA -0.181 nan 4.420 nan 0.000 0.217 215 P C 1.346 178.709 177.300 0.105 0.000 1.158 215 P CA 1.381 64.576 63.100 0.158 0.000 0.887 215 P CB 0.123 31.939 31.700 0.194 0.000 0.792 216 E N -0.873 119.374 120.200 0.079 0.000 2.472 216 E HA -0.125 4.225 4.350 -0.000 0.000 0.200 216 E C 1.310 177.909 176.600 -0.002 0.000 1.046 216 E CA 0.605 57.030 56.400 0.041 0.000 0.871 216 E CB -0.182 29.540 29.700 0.037 0.000 0.806 216 E HN 0.296 nan 8.360 nan 0.000 0.533 217 K N -0.283 120.107 120.400 -0.016 0.000 2.353 217 K HA 0.197 4.517 4.320 -0.000 0.000 0.195 217 K C 1.671 178.062 176.600 -0.349 0.000 1.031 217 K CA 0.324 56.533 56.287 -0.130 0.000 1.079 217 K CB 0.641 33.098 32.500 -0.071 0.000 0.857 217 K HN 0.017 nan 8.250 nan 0.000 0.535 218 A N 1.320 124.026 122.820 -0.190 0.000 1.877 218 A HA -0.066 4.254 4.320 -0.000 0.000 0.216 218 A C 1.492 178.966 177.584 -0.183 0.000 1.186 218 A CA 1.148 53.067 52.037 -0.196 0.000 0.620 218 A CB -0.199 18.850 19.000 0.080 0.000 0.822 218 A HN 0.177 nan 8.150 nan 0.000 0.443 219 S N 0.550 116.195 115.700 -0.091 0.000 2.439 219 S HA 0.447 4.917 4.470 -0.000 0.000 0.282 219 S C 0.228 174.761 174.600 -0.112 0.000 1.170 219 S CA -0.615 57.549 58.200 -0.060 0.000 1.054 219 S CB -0.086 63.110 63.200 -0.007 0.000 0.956 219 S HN 0.500 nan 8.310 nan 0.000 0.490 220 R N 2.726 123.151 120.500 -0.125 0.000 2.640 220 R HA 0.176 4.516 4.340 -0.000 0.000 0.240 220 R C -0.826 175.398 176.300 -0.127 0.000 1.519 220 R CA -0.623 55.400 56.100 -0.128 0.000 1.570 220 R CB -1.020 29.175 30.300 -0.175 0.000 1.446 220 R HN 0.447 nan 8.270 nan 0.000 0.738 221 T N 2.099 116.534 114.554 -0.198 0.000 2.891 221 T HA -0.060 4.290 4.350 -0.000 0.000 0.296 221 T C 0.025 174.508 174.700 -0.360 0.000 1.025 221 T CA 1.040 62.898 62.100 -0.404 0.000 1.149 221 T CB -0.075 68.405 68.868 -0.647 0.000 1.007 221 T HN 0.533 nan 8.240 nan 0.000 0.528 222 Y N -1.374 118.919 120.300 -0.012 0.000 4.779 222 Y HA -0.211 4.339 4.550 -0.000 0.000 0.284 222 Y C 0.737 176.616 175.900 -0.035 0.000 0.973 222 Y CA 0.513 58.604 58.100 -0.016 0.000 1.792 222 Y CB -2.201 36.250 38.460 -0.014 0.000 1.120 222 Y HN 0.779 nan 8.280 nan 0.000 0.450 223 D N 0.547 120.981 120.400 0.058 0.000 2.382 223 D HA 0.552 5.192 4.640 -0.000 0.000 0.245 223 D C 1.285 177.544 176.300 -0.070 0.000 1.120 223 D CA 0.799 54.789 54.000 -0.017 0.000 0.890 223 D CB 1.290 42.065 40.800 -0.041 0.000 1.201 223 D HN 0.272 nan 8.370 nan 0.000 0.433 224 A N 3.440 126.136 122.820 -0.207 0.000 2.070 224 A HA -0.167 4.153 4.320 -0.000 0.000 0.220 224 A C 1.100 178.523 177.584 -0.268 0.000 1.159 224 A CA 1.154 53.021 52.037 -0.283 0.000 0.656 224 A CB -0.355 18.388 19.000 -0.427 0.000 0.800 224 A HN 0.694 nan 8.150 nan 0.000 0.453 225 H N 0.013 119.143 119.070 0.099 0.000 2.487 225 H HA 0.136 4.692 4.556 -0.000 0.000 0.290 225 H C 0.367 175.810 175.328 0.191 0.000 1.081 225 H CA -0.161 55.975 56.048 0.148 0.000 1.116 225 H CB -0.380 29.497 29.762 0.192 0.000 1.560 225 H HN 0.684 nan 8.280 nan 0.000 0.548 226 R N 1.586 122.182 120.500 0.159 0.000 2.643 226 R HA 0.077 4.417 4.340 -0.000 0.000 0.270 226 R C -0.414 175.995 176.300 0.182 0.000 1.061 226 R CA 0.185 56.363 56.100 0.129 0.000 1.107 226 R CB 0.482 30.810 30.300 0.046 0.000 0.999 226 R HN 0.052 nan 8.270 nan 0.000 0.460 227 D N 0.870 121.392 120.400 0.204 0.000 2.837 227 D HA 0.236 4.876 4.640 -0.000 0.000 0.340 227 D C 0.025 176.399 176.300 0.123 0.000 1.451 227 D CA -0.047 54.053 54.000 0.168 0.000 0.798 227 D CB 0.440 41.350 40.800 0.182 0.000 1.169 227 D HN 0.920 nan 8.370 nan 0.000 0.449 228 G N 0.414 109.283 108.800 0.114 0.000 2.406 228 G HA2 0.216 4.176 3.960 -0.000 0.000 0.680 228 G HA3 0.216 4.176 3.960 -0.000 0.000 0.680 228 G C -0.553 174.413 174.900 0.110 0.000 1.338 228 G CA -0.713 44.445 45.100 0.096 0.000 0.941 228 G HN 0.325 nan 8.290 nan 0.000 0.633 229 F N -0.358 119.637 119.950 0.075 0.000 2.378 229 F HA 0.789 5.316 4.527 -0.000 0.000 0.319 229 F C 0.295 176.134 175.800 0.065 0.000 1.155 229 F CA -1.367 56.658 58.000 0.042 0.000 1.157 229 F CB 1.126 40.143 39.000 0.029 0.000 1.252 229 F HN 0.395 nan 8.300 nan 0.000 0.550 230 V N 4.419 124.527 119.914 0.323 0.000 2.370 230 V HA 0.261 4.381 4.120 -0.000 0.000 0.283 230 V C 0.244 176.559 176.094 0.368 0.000 1.023 230 V CA -0.857 61.575 62.300 0.219 0.000 0.857 230 V CB 1.089 33.012 31.823 0.167 0.000 0.985 230 V HN 0.859 nan 8.190 nan 0.000 0.443 231 I N 4.695 125.435 120.570 0.285 0.000 2.836 231 I HA 0.538 4.708 4.170 -0.000 0.000 0.285 231 I C 0.465 176.696 176.117 0.190 0.000 1.174 231 I CA 0.565 62.041 61.300 0.292 0.000 1.405 231 I CB 0.907 39.019 38.000 0.186 0.000 1.385 231 I HN 0.798 nan 8.210 nan 0.000 0.594 232 A N 4.546 127.412 122.820 0.076 0.000 2.593 232 A HA 0.863 5.183 4.320 -0.000 0.000 0.290 232 A C -0.703 176.832 177.584 -0.083 0.000 1.126 232 A CA -0.090 51.938 52.037 -0.015 0.000 0.695 232 A CB 1.242 20.241 19.000 -0.002 0.000 1.290 232 A HN 0.860 nan 8.150 nan 0.000 0.414 233 G N -1.722 106.988 108.800 -0.150 0.000 2.730 233 G HA2 0.949 4.909 3.960 -0.000 0.000 0.289 233 G HA3 0.949 4.909 3.960 -0.000 0.000 0.289 233 G C -0.073 174.678 174.900 -0.249 0.000 1.341 233 G CA -0.242 44.784 45.100 -0.124 0.000 0.932 233 G HN 2.290 nan 8.290 nan 0.000 0.481 234 G N -2.121 106.526 108.800 -0.255 0.000 2.350 234 G HA2 0.633 4.593 3.960 -0.000 0.000 0.282 234 G HA3 0.633 4.593 3.960 -0.000 0.000 0.282 234 G C -0.381 174.470 174.900 -0.082 0.000 1.314 234 G CA 0.246 45.065 45.100 -0.469 0.000 0.915 234 G HN 1.949 nan 8.290 nan 0.000 0.499 235 G N -1.958 106.803 108.800 -0.065 0.000 2.682 235 G HA2 1.022 4.982 3.960 -0.000 0.000 0.290 235 G HA3 1.022 4.982 3.960 -0.000 0.000 0.290 235 G C -0.387 174.495 174.900 -0.029 0.000 1.425 235 G CA 0.310 45.431 45.100 0.035 0.000 0.807 235 G HN 2.106 nan 8.290 nan 0.000 0.482 236 G N -1.349 107.431 108.800 -0.033 0.000 2.703 236 G HA2 0.664 4.624 3.960 -0.000 0.000 0.294 236 G HA3 0.664 4.624 3.960 -0.000 0.000 0.294 236 G C -1.730 173.130 174.900 -0.067 0.000 1.451 236 G CA -0.564 44.492 45.100 -0.074 0.000 0.869 236 G HN 0.947 nan 8.290 nan 0.000 0.516 237 M N 1.002 120.554 119.600 -0.081 0.000 2.413 237 M HA 0.685 5.165 4.480 -0.000 0.000 0.287 237 M C -0.991 175.266 176.300 -0.072 0.000 1.186 237 M CA -0.738 54.519 55.300 -0.071 0.000 0.927 237 M CB 2.289 34.836 32.600 -0.089 0.000 1.715 237 M HN 1.221 nan 8.290 nan 0.000 0.478 238 V N 1.568 121.444 119.914 -0.063 0.000 2.914 238 V HA 0.912 5.032 4.120 -0.000 0.000 0.314 238 V C -1.225 174.827 176.094 -0.069 0.000 1.084 238 V CA -0.918 61.335 62.300 -0.078 0.000 0.963 238 V CB 1.893 33.646 31.823 -0.116 0.000 1.025 238 V HN 0.611 nan 8.190 nan 0.000 0.432 239 V N 3.430 123.290 119.914 -0.090 0.000 2.334 239 V HA 0.380 4.500 4.120 -0.000 0.000 0.267 239 V C 0.128 176.102 176.094 -0.201 0.000 1.040 239 V CA -0.371 61.796 62.300 -0.222 0.000 0.866 239 V CB 1.028 32.735 31.823 -0.192 0.000 1.019 239 V HN 0.730 nan 8.190 nan 0.000 0.468 240 V N 5.061 124.827 119.914 -0.248 0.000 2.432 240 V HA 0.482 4.602 4.120 -0.000 0.000 0.275 240 V C 0.074 176.039 176.094 -0.214 0.000 1.043 240 V CA -0.269 61.920 62.300 -0.185 0.000 0.925 240 V CB 1.368 33.089 31.823 -0.170 0.000 0.985 240 V HN 0.978 nan 8.190 nan 0.000 0.466 241 E N 2.797 122.909 120.200 -0.147 0.000 2.340 241 E HA 0.327 4.677 4.350 -0.000 0.000 0.273 241 E C -0.844 175.710 176.600 -0.077 0.000 0.891 241 E CA -0.743 55.574 56.400 -0.138 0.000 0.757 241 E CB 1.850 31.494 29.700 -0.094 0.000 1.231 241 E HN 0.682 nan 8.360 nan 0.000 0.439 242 E N 3.790 123.945 120.200 -0.075 0.000 2.384 242 E HA -0.032 4.318 4.350 -0.000 0.000 0.266 242 E C 0.822 177.438 176.600 0.025 0.000 1.012 242 E CA -0.095 56.291 56.400 -0.023 0.000 0.901 242 E CB 1.110 30.796 29.700 -0.023 0.000 0.967 242 E HN 0.650 nan 8.360 nan 0.000 0.435 243 L N 5.746 126.976 121.223 0.011 0.000 1.997 243 L HA -0.247 4.093 4.340 -0.000 0.000 0.216 243 L C 1.847 178.730 176.870 0.022 0.000 1.074 243 L CA 2.020 56.867 54.840 0.011 0.000 0.763 243 L CB -0.403 41.656 42.059 -0.000 0.000 0.890 243 L HN 0.544 nan 8.230 nan 0.000 0.434 244 E N -1.131 119.086 120.200 0.030 0.000 2.110 244 E HA -0.252 4.098 4.350 -0.000 0.000 0.193 244 E C 2.208 178.825 176.600 0.027 0.000 0.988 244 E CA 1.320 57.733 56.400 0.021 0.000 0.804 244 E CB -0.756 28.957 29.700 0.021 0.000 0.745 244 E HN 0.696 nan 8.360 nan 0.000 0.458 245 H N 0.812 119.868 119.070 -0.024 0.000 2.319 245 H HA -0.066 4.490 4.556 0.000 0.000 0.299 245 H C 1.851 177.163 175.328 -0.026 0.000 1.092 245 H CA 1.883 57.917 56.048 -0.024 0.000 1.302 245 H CB 0.172 29.916 29.762 -0.031 0.000 1.373 245 H HN 0.131 nan 8.280 nan 0.000 0.497 246 A N 1.260 124.131 122.820 0.086 0.000 1.877 246 A HA -0.092 4.228 4.320 -0.000 0.000 0.216 246 A C 2.916 180.479 177.584 -0.035 0.000 1.186 246 A CA 1.263 53.317 52.037 0.028 0.000 0.620 246 A CB -0.875 18.141 19.000 0.026 0.000 0.822 246 A HN 0.422 nan 8.150 nan 0.000 0.443 247 L N -0.744 120.460 121.223 -0.032 0.000 2.083 247 L HA -0.204 4.136 4.340 -0.000 0.000 0.209 247 L C 3.034 179.870 176.870 -0.057 0.000 1.083 247 L CA 1.072 55.888 54.840 -0.040 0.000 0.752 247 L CB -0.595 41.447 42.059 -0.030 0.000 0.899 247 L HN 0.441 nan 8.230 nan 0.000 0.433 248 A N 0.973 123.744 122.820 -0.082 0.000 2.019 248 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 248 A C 2.221 179.738 177.584 -0.112 0.000 1.164 248 A CA 1.538 53.515 52.037 -0.099 0.000 0.644 248 A CB -0.466 18.457 19.000 -0.128 0.000 0.805 248 A HN 0.589 nan 8.150 nan 0.000 0.449 249 R N -1.341 119.078 120.500 -0.135 0.000 2.393 249 R HA 0.367 4.707 4.340 -0.000 0.000 0.244 249 R C 0.883 177.151 176.300 -0.053 0.000 0.920 249 R CA 0.548 56.586 56.100 -0.103 0.000 1.076 249 R CB -0.617 29.604 30.300 -0.131 0.000 1.119 249 R HN 0.661 nan 8.270 nan 0.000 0.524 250 G N 0.944 109.716 108.800 -0.047 0.000 2.295 250 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.287 250 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.287 250 G C 0.278 175.171 174.900 -0.013 0.000 1.055 250 G CA 0.171 45.255 45.100 -0.027 0.000 0.922 250 G HN 0.709 nan 8.290 nan 0.000 0.503 251 A N -0.194 122.616 122.820 -0.017 0.000 2.445 251 A HA 0.548 4.868 4.320 -0.000 0.000 0.242 251 A C 0.450 178.031 177.584 -0.005 0.000 1.075 251 A CA 0.421 52.458 52.037 0.000 0.000 0.777 251 A CB 0.264 19.261 19.000 -0.005 0.000 1.013 251 A HN 1.482 nan 8.150 nan 0.000 0.493 252 H N 1.480 120.499 119.070 -0.085 0.000 2.723 252 H HA 0.509 5.065 4.556 -0.000 0.000 0.294 252 H C -0.690 174.530 175.328 -0.180 0.000 1.079 252 H CA -0.354 55.599 56.048 -0.158 0.000 1.411 252 H CB 0.061 29.691 29.762 -0.221 0.000 1.439 252 H HN 0.439 nan 8.280 nan 0.000 0.474 253 I N 7.048 127.236 120.570 -0.638 0.000 2.312 253 I HA 0.021 4.191 4.170 -0.000 0.000 0.290 253 I C 0.067 175.834 176.117 -0.584 0.000 1.008 253 I CA -0.459 60.574 61.300 -0.445 0.000 1.226 253 I CB 0.893 38.767 38.000 -0.209 0.000 1.371 253 I HN 0.758 nan 8.210 nan 0.000 0.468 254 Y N 5.188 125.282 120.300 -0.343 0.000 2.176 254 Y HA 0.202 4.752 4.550 0.000 0.000 0.291 254 Y C 1.240 177.065 175.900 -0.126 0.000 1.122 254 Y CA 0.968 58.945 58.100 -0.205 0.000 1.128 254 Y CB 0.149 38.567 38.460 -0.071 0.000 1.005 254 Y HN 0.649 nan 8.280 nan 0.000 0.509 255 A N -0.754 122.115 122.820 0.083 0.000 2.586 255 A HA 0.416 4.736 4.320 -0.000 0.000 0.291 255 A C -1.456 176.134 177.584 0.010 0.000 1.062 255 A CA -0.822 51.235 52.037 0.033 0.000 0.666 255 A CB 0.868 19.897 19.000 0.048 0.000 1.281 255 A HN 0.089 nan 8.150 nan 0.000 0.421 256 E N 0.660 120.861 120.200 0.002 0.000 2.216 256 E HA 0.578 4.928 4.350 -0.000 0.000 0.279 256 E C -1.151 175.452 176.600 0.004 0.000 0.997 256 E CA -0.554 55.844 56.400 -0.002 0.000 0.817 256 E CB 0.828 30.526 29.700 -0.003 0.000 1.096 256 E HN 0.485 nan 8.360 nan 0.000 0.393 257 I N 5.839 126.409 120.570 -0.001 0.000 2.294 257 I HA 0.016 4.186 4.170 -0.000 0.000 0.295 257 I C 1.089 177.222 176.117 0.026 0.000 1.098 257 I CA -0.261 61.044 61.300 0.008 0.000 1.277 257 I CB 0.917 38.910 38.000 -0.011 0.000 1.434 257 I HN 0.508 nan 8.210 nan 0.000 0.498 258 V N 2.737 122.673 119.914 0.036 0.000 3.608 258 V HA 0.472 4.592 4.120 -0.000 0.000 0.269 258 V C 0.759 176.891 176.094 0.063 0.000 1.245 258 V CA 0.238 62.563 62.300 0.041 0.000 1.138 258 V CB -0.331 31.510 31.823 0.030 0.000 0.841 258 V HN 0.702 nan 8.190 nan 0.000 0.451 259 G N -0.570 108.282 108.800 0.086 0.000 2.759 259 G HA2 0.541 4.501 3.960 -0.000 0.000 0.297 259 G HA3 0.541 4.501 3.960 -0.000 0.000 0.297 259 G C -2.293 172.720 174.900 0.189 0.000 1.434 259 G CA -0.585 44.585 45.100 0.116 0.000 0.980 259 G HN 0.343 nan 8.290 nan 0.000 0.531 260 Y N 1.211 121.533 120.300 0.038 0.000 2.307 260 Y HA 0.661 5.211 4.550 -0.000 0.000 0.323 260 Y C -0.139 175.791 175.900 0.050 0.000 1.100 260 Y CA -1.145 56.978 58.100 0.037 0.000 1.140 260 Y CB 1.594 40.077 38.460 0.037 0.000 1.159 260 Y HN 0.844 nan 8.280 nan 0.000 0.436 261 G N 3.125 111.812 108.800 -0.188 0.000 2.388 261 G HA2 0.739 4.699 3.960 -0.000 0.000 0.330 261 G HA3 0.739 4.699 3.960 -0.000 0.000 0.330 261 G C -1.577 173.106 174.900 -0.362 0.000 1.142 261 G CA -0.587 44.341 45.100 -0.286 0.000 0.908 261 G HN 1.164 nan 8.290 nan 0.000 0.473 262 A N 1.618 124.245 122.820 -0.322 0.000 2.476 262 A HA 0.826 5.146 4.320 -0.000 0.000 0.280 262 A C 0.038 177.610 177.584 -0.021 0.000 1.081 262 A CA -0.086 51.918 52.037 -0.055 0.000 0.753 262 A CB 1.147 20.119 19.000 -0.046 0.000 1.248 262 A HN 1.460 nan 8.150 nan 0.000 0.424 263 T N -1.459 113.123 114.554 0.047 0.000 2.742 263 T HA 0.875 5.225 4.350 -0.000 0.000 0.282 263 T C -0.204 174.514 174.700 0.030 0.000 1.025 263 T CA -0.559 61.544 62.100 0.005 0.000 1.020 263 T CB 1.769 70.621 68.868 -0.027 0.000 1.317 263 T HN 1.292 nan 8.240 nan 0.000 0.538 264 S N -1.052 114.644 115.700 -0.007 0.000 2.548 264 S HA 0.453 4.923 4.470 -0.000 0.000 0.276 264 S C -0.313 174.267 174.600 -0.033 0.000 1.129 264 S CA -0.607 57.590 58.200 -0.005 0.000 0.931 264 S CB 1.672 64.868 63.200 -0.007 0.000 1.068 264 S HN 0.698 nan 8.310 nan 0.000 0.480 265 D N 2.693 123.069 120.400 -0.040 0.000 2.120 265 D HA 0.160 4.800 4.640 -0.000 0.000 0.202 265 D C 1.401 177.675 176.300 -0.043 0.000 0.972 265 D CA 1.549 55.512 54.000 -0.061 0.000 0.837 265 D CB -0.511 40.244 40.800 -0.075 0.000 0.989 265 D HN 1.062 nan 8.370 nan 0.000 0.469 266 G N 0.143 108.927 108.800 -0.028 0.000 2.338 266 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.296 266 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.296 266 G C 0.568 175.454 174.900 -0.023 0.000 1.040 266 G CA 0.882 45.970 45.100 -0.020 0.000 1.004 266 G HN 0.632 nan 8.290 nan 0.000 0.509 267 A N -0.949 121.856 122.820 -0.025 0.000 1.702 267 A HA 0.591 4.911 4.320 -0.000 0.000 0.151 267 A C 0.211 177.783 177.584 -0.021 0.000 1.611 267 A CA 0.665 52.687 52.037 -0.025 0.000 1.414 267 A CB 0.530 19.509 19.000 -0.036 0.000 1.183 267 A HN 0.287 nan 8.150 nan 0.000 0.917 268 D N -0.105 120.276 120.400 -0.031 0.000 2.192 268 D HA 0.436 5.076 4.640 -0.000 0.000 0.246 268 D C 0.488 176.771 176.300 -0.028 0.000 1.042 268 D CA -0.422 53.562 54.000 -0.026 0.000 0.847 268 D CB 1.799 42.578 40.800 -0.036 0.000 1.186 268 D HN 0.204 nan 8.370 nan 0.000 0.461 269 M N 2.557 122.157 119.600 -0.000 0.000 2.296 269 M HA -0.129 4.351 4.480 -0.000 0.000 0.265 269 M C 1.358 177.664 176.300 0.010 0.000 1.064 269 M CA 1.408 56.728 55.300 0.033 0.000 1.109 269 M CB 0.101 32.741 32.600 0.066 0.000 1.396 269 M HN 0.401 nan 8.290 nan 0.000 0.430 270 V N -3.561 116.319 119.914 -0.057 0.000 3.013 270 V HA 0.565 4.685 4.120 -0.000 0.000 0.238 270 V C 0.958 176.832 176.094 -0.367 0.000 1.161 270 V CA 0.177 62.357 62.300 -0.200 0.000 1.170 270 V CB -1.186 30.651 31.823 0.023 0.000 0.917 270 V HN 0.226 nan 8.190 nan 0.000 0.478 271 A N 1.491 124.204 122.820 -0.179 0.000 2.294 271 A HA 0.894 5.214 4.320 -0.000 0.000 0.330 271 A C -2.747 174.755 177.584 -0.136 0.000 1.133 271 A CA -1.788 50.162 52.037 -0.145 0.000 0.836 271 A CB 0.388 19.352 19.000 -0.060 0.000 1.190 271 A HN 0.395 nan 8.150 nan 0.000 0.492 272 P HA 0.215 nan 4.420 nan 0.000 0.274 272 P C 0.620 177.851 177.300 -0.115 0.000 1.231 272 P CA -0.081 62.939 63.100 -0.133 0.000 0.790 272 P CB 1.124 32.747 31.700 -0.130 0.000 0.951 273 S N 0.253 115.871 115.700 -0.136 0.000 2.492 273 S HA 0.240 4.710 4.470 -0.000 0.000 0.218 273 S C 1.626 176.155 174.600 -0.118 0.000 1.016 273 S CA 0.659 58.795 58.200 -0.107 0.000 0.916 273 S CB -0.791 62.352 63.200 -0.095 0.000 0.791 273 S HN 0.695 nan 8.310 nan 0.000 0.513 274 G N 2.009 110.702 108.800 -0.178 0.000 2.498 274 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.229 274 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.229 274 G C 0.943 175.741 174.900 -0.170 0.000 1.156 274 G CA 0.561 45.557 45.100 -0.174 0.000 0.680 274 G HN 0.467 nan 8.290 nan 0.000 0.512 275 E N 1.724 121.844 120.200 -0.132 0.000 2.077 275 E HA -0.062 4.288 4.350 -0.000 0.000 0.193 275 E C 2.665 179.185 176.600 -0.134 0.000 0.989 275 E CA 2.134 58.467 56.400 -0.112 0.000 0.800 275 E CB -0.925 28.724 29.700 -0.084 0.000 0.746 275 E HN 0.619 nan 8.360 nan 0.000 0.452 276 G N 0.910 109.614 108.800 -0.160 0.000 2.418 276 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.217 276 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.217 276 G C 1.748 176.515 174.900 -0.222 0.000 1.158 276 G CA 1.442 46.444 45.100 -0.163 0.000 0.771 276 G HN 0.428 nan 8.290 nan 0.000 0.545 277 A N 0.149 122.738 122.820 -0.386 0.000 1.908 277 A HA 0.037 4.357 4.320 -0.000 0.000 0.218 277 A C 2.620 180.093 177.584 -0.185 0.000 1.181 277 A CA 1.951 53.669 52.037 -0.531 0.000 0.627 277 A CB -0.659 17.813 19.000 -0.880 0.000 0.818 277 A HN 0.275 nan 8.150 nan 0.000 0.445 278 V N -0.122 119.703 119.914 -0.148 0.000 2.295 278 V HA -0.268 3.852 4.120 -0.000 0.000 0.246 278 V C 2.631 178.674 176.094 -0.084 0.000 1.049 278 V CA 2.239 64.483 62.300 -0.093 0.000 1.024 278 V CB -0.827 30.942 31.823 -0.089 0.000 0.648 278 V HN 0.516 nan 8.190 nan 0.000 0.447 279 R N -0.993 119.454 120.500 -0.088 0.000 2.081 279 R HA -0.204 4.136 4.340 -0.000 0.000 0.235 279 R C 2.436 178.700 176.300 -0.060 0.000 1.131 279 R CA 1.804 57.857 56.100 -0.077 0.000 0.960 279 R CB -0.891 29.363 30.300 -0.078 0.000 0.856 279 R HN 0.567 nan 8.270 nan 0.000 0.436 280 C N 0.704 119.980 119.300 -0.040 0.000 2.432 280 C HA -0.096 4.364 4.460 -0.000 0.000 0.277 280 C C 2.645 177.652 174.990 0.028 0.000 1.249 280 C CA 0.936 59.960 59.018 0.011 0.000 1.725 280 C CB -0.683 27.120 27.740 0.105 0.000 2.028 280 C HN 0.466 nan 8.230 nan 0.000 0.477 281 M N -0.075 119.553 119.600 0.046 0.000 2.175 281 M HA -0.132 4.348 4.480 -0.000 0.000 0.264 281 M C 2.269 178.548 176.300 -0.036 0.000 1.063 281 M CA 1.666 56.989 55.300 0.038 0.000 1.119 281 M CB -0.457 32.174 32.600 0.052 0.000 1.377 281 M HN 0.378 nan 8.290 nan 0.000 0.415 282 K N 0.102 120.459 120.400 -0.072 0.000 2.057 282 K HA -0.133 4.187 4.320 -0.000 0.000 0.207 282 K C 2.014 178.598 176.600 -0.027 0.000 1.049 282 K CA 1.330 57.569 56.287 -0.080 0.000 0.931 282 K CB -0.185 32.262 32.500 -0.088 0.000 0.714 282 K HN 0.348 nan 8.250 nan 0.000 0.440 283 M N 0.492 120.070 119.600 -0.037 0.000 2.132 283 M HA -0.146 4.334 4.480 -0.000 0.000 0.263 283 M C 2.129 178.438 176.300 0.016 0.000 1.065 283 M CA 1.641 56.919 55.300 -0.036 0.000 1.122 283 M CB -0.100 32.450 32.600 -0.084 0.000 1.365 283 M HN 0.157 nan 8.290 nan 0.000 0.411 284 A N 0.341 123.169 122.820 0.014 0.000 1.933 284 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 284 A C 1.930 179.555 177.584 0.067 0.000 1.175 284 A CA 1.784 53.851 52.037 0.051 0.000 0.628 284 A CB -0.634 18.405 19.000 0.066 0.000 0.814 284 A HN 0.649 nan 8.150 nan 0.000 0.444 285 M N -1.360 118.270 119.600 0.050 0.000 2.541 285 M HA 0.050 4.530 4.480 -0.000 0.000 0.252 285 M C 0.621 176.951 176.300 0.051 0.000 1.125 285 M CA -0.008 55.317 55.300 0.042 0.000 1.091 285 M CB -0.086 32.510 32.600 -0.007 0.000 1.420 285 M HN 0.499 nan 8.290 nan 0.000 0.486 286 H N 0.539 119.597 119.070 -0.021 0.000 3.157 286 H HA 0.163 4.719 4.556 0.000 0.000 0.299 286 H C 1.190 176.516 175.328 -0.004 0.000 0.961 286 H CA 1.443 57.479 56.048 -0.019 0.000 1.428 286 H CB 0.114 29.862 29.762 -0.023 0.000 1.459 286 H HN 0.468 nan 8.280 nan 0.000 0.566 287 G N 3.256 111.797 108.800 -0.432 0.000 2.184 287 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.264 287 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.264 287 G C -0.011 174.819 174.900 -0.116 0.000 0.975 287 G CA 0.320 45.242 45.100 -0.296 0.000 0.642 287 G HN 0.669 nan 8.290 nan 0.000 0.536 288 V N 2.263 122.139 119.914 -0.064 0.000 2.389 288 V HA 0.354 4.474 4.120 -0.000 0.000 0.264 288 V C 1.103 177.187 176.094 -0.016 0.000 1.049 288 V CA 0.388 62.679 62.300 -0.016 0.000 0.932 288 V CB 1.333 33.167 31.823 0.019 0.000 1.011 288 V HN 0.485 nan 8.190 nan 0.000 0.475 289 D N 2.293 122.684 120.400 -0.015 0.000 2.336 289 D HA -0.003 4.637 4.640 -0.000 0.000 0.229 289 D C 0.745 177.049 176.300 0.007 0.000 1.061 289 D CA 0.100 54.094 54.000 -0.010 0.000 0.875 289 D CB -0.076 40.714 40.800 -0.016 0.000 0.904 289 D HN 0.586 nan 8.370 nan 0.000 0.525 290 T N -2.764 111.802 114.554 0.020 0.000 2.924 290 T HA 0.618 4.968 4.350 -0.000 0.000 0.291 290 T C -2.711 172.019 174.700 0.051 0.000 1.045 290 T CA -1.810 60.307 62.100 0.029 0.000 1.015 290 T CB 2.310 71.194 68.868 0.026 0.000 1.103 290 T HN -0.157 nan 8.240 nan 0.000 0.496 291 P HA 0.402 nan 4.420 nan 0.000 0.278 291 P C -0.569 176.775 177.300 0.073 0.000 1.258 291 P CA -0.744 62.407 63.100 0.085 0.000 0.811 291 P CB 0.654 32.393 31.700 0.065 0.000 1.063 292 I N 2.502 123.126 120.570 0.090 0.000 2.396 292 I HA 0.032 4.202 4.170 -0.000 0.000 0.289 292 I C 1.230 177.318 176.117 -0.047 0.000 1.056 292 I CA 0.329 61.642 61.300 0.022 0.000 1.365 292 I CB 0.143 38.144 38.000 0.003 0.000 1.407 292 I HN 0.319 nan 8.210 nan 0.000 0.509 293 D N 5.141 125.539 120.400 -0.002 0.000 2.305 293 D HA -0.048 4.592 4.640 -0.000 0.000 0.206 293 D C -0.063 176.274 176.300 0.063 0.000 0.974 293 D CA 1.084 55.093 54.000 0.015 0.000 0.871 293 D CB 0.543 41.367 40.800 0.039 0.000 0.947 293 D HN 0.524 nan 8.370 nan 0.000 0.516 294 Y N 0.328 120.573 120.300 -0.092 0.000 2.521 294 Y HA 0.440 4.990 4.550 0.000 0.000 0.332 294 Y C -2.219 173.629 175.900 -0.087 0.000 1.121 294 Y CA -1.160 56.882 58.100 -0.097 0.000 1.037 294 Y CB 1.227 39.631 38.460 -0.092 0.000 1.330 294 Y HN -0.222 nan 8.280 nan 0.000 0.452 295 L N 7.025 127.555 121.223 -1.155 0.000 2.372 295 L HA 0.505 4.845 4.340 -0.000 0.000 0.274 295 L C -1.322 174.935 176.870 -1.022 0.000 0.988 295 L CA -0.548 53.800 54.840 -0.820 0.000 0.833 295 L CB 1.100 42.905 42.059 -0.422 0.000 1.236 295 L HN 0.824 nan 8.230 nan 0.000 0.410 296 N N 3.591 121.871 118.700 -0.700 0.000 2.437 296 N HA 0.148 4.888 4.740 -0.000 0.000 0.243 296 N C -0.379 175.044 175.510 -0.146 0.000 1.041 296 N CA -0.200 52.687 53.050 -0.272 0.000 0.940 296 N CB 1.098 39.593 38.487 0.013 0.000 1.133 296 N HN 0.738 nan 8.380 nan 0.000 0.506 297 S N 2.655 118.312 115.700 -0.071 0.000 2.624 297 S HA 0.014 4.484 4.470 -0.000 0.000 0.263 297 S C 1.253 175.831 174.600 -0.036 0.000 1.287 297 S CA -0.256 57.940 58.200 -0.006 0.000 0.990 297 S CB 1.173 64.456 63.200 0.139 0.000 0.950 297 S HN 0.773 nan 8.310 nan 0.000 0.561 298 H N 1.564 120.544 119.070 -0.150 0.000 2.363 298 H HA 0.191 4.747 4.556 -0.000 0.000 0.301 298 H C 1.457 176.682 175.328 -0.171 0.000 1.074 298 H CA 0.975 56.890 56.048 -0.221 0.000 1.354 298 H CB -1.067 28.506 29.762 -0.315 0.000 1.397 298 H HN 0.967 nan 8.280 nan 0.000 0.516 299 G N 0.988 109.702 108.800 -0.143 0.000 2.816 299 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.341 299 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.341 299 G C 0.949 175.578 174.900 -0.451 0.000 0.171 299 G CA 0.992 45.919 45.100 -0.287 0.000 1.218 299 G HN 0.746 nan 8.290 nan 0.000 0.433 300 T N -0.946 113.327 114.554 -0.468 0.000 3.107 300 T HA 0.394 4.744 4.350 -0.000 0.000 0.249 300 T C 1.244 175.853 174.700 -0.152 0.000 1.096 300 T CA 0.842 62.680 62.100 -0.437 0.000 1.012 300 T CB 0.362 68.873 68.868 -0.594 0.000 0.977 300 T HN 1.624 nan 8.240 nan 0.000 0.527 301 S N 0.715 116.325 115.700 -0.149 0.000 3.536 301 S HA -0.118 4.352 4.470 -0.000 0.000 0.281 301 S C 0.202 174.824 174.600 0.037 0.000 1.248 301 S CA 0.493 58.652 58.200 -0.070 0.000 0.809 301 S CB -2.059 61.120 63.200 -0.034 0.000 0.997 301 S HN 1.203 nan 8.310 nan 0.000 0.641 302 T N -0.331 114.257 114.554 0.056 0.000 2.859 302 T HA 0.676 5.026 4.350 -0.000 0.000 0.281 302 T C -1.107 173.645 174.700 0.086 0.000 1.005 302 T CA -1.320 60.849 62.100 0.114 0.000 1.025 302 T CB 1.842 70.812 68.868 0.171 0.000 0.977 302 T HN 0.006 nan 8.240 nan 0.000 0.458 303 P HA -0.179 nan 4.420 nan 0.000 0.213 303 P C 1.885 179.233 177.300 0.080 0.000 1.170 303 P CA 1.683 64.834 63.100 0.084 0.000 0.902 303 P CB -0.367 31.384 31.700 0.084 0.000 0.789 304 V N -1.490 118.472 119.914 0.079 0.000 2.244 304 V HA -0.039 4.081 4.120 -0.000 0.000 0.244 304 V C 2.727 178.866 176.094 0.075 0.000 1.042 304 V CA 2.269 64.610 62.300 0.068 0.000 1.006 304 V CB -2.529 29.328 31.823 0.056 0.000 0.641 304 V HN 0.130 nan 8.190 nan 0.000 0.446 305 G N 0.350 109.203 108.800 0.089 0.000 2.476 305 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.218 305 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.218 305 G C 1.170 176.154 174.900 0.139 0.000 1.164 305 G CA 1.298 46.467 45.100 0.114 0.000 0.768 305 G HN 0.553 nan 8.290 nan 0.000 0.560 306 D N 0.120 120.588 120.400 0.113 0.000 2.116 306 D HA -0.143 4.497 4.640 -0.000 0.000 0.193 306 D C 2.919 179.358 176.300 0.230 0.000 0.998 306 D CA 1.841 55.925 54.000 0.141 0.000 0.836 306 D CB -0.614 40.227 40.800 0.068 0.000 0.951 306 D HN 0.378 nan 8.370 nan 0.000 0.449 307 V N -1.409 118.603 119.914 0.163 0.000 2.591 307 V HA -0.037 4.083 4.120 -0.000 0.000 0.249 307 V C 2.066 178.219 176.094 0.098 0.000 1.053 307 V CA 0.980 63.359 62.300 0.131 0.000 1.068 307 V CB -0.374 31.503 31.823 0.090 0.000 0.689 307 V HN -0.055 nan 8.190 nan 0.000 0.462 308 K N 0.788 121.238 120.400 0.083 0.000 2.063 308 K HA -0.243 4.077 4.320 -0.000 0.000 0.208 308 K C 2.265 178.896 176.600 0.052 0.000 1.048 308 K CA 2.266 58.578 56.287 0.043 0.000 0.928 308 K CB -0.228 32.283 32.500 0.018 0.000 0.713 308 K HN 0.814 nan 8.250 nan 0.000 0.442 309 E N 0.717 120.992 120.200 0.126 0.000 2.107 309 E HA -0.126 4.224 4.350 -0.000 0.000 0.191 309 E C 2.135 178.828 176.600 0.155 0.000 0.982 309 E CA 0.512 57.020 56.400 0.180 0.000 0.809 309 E CB 0.009 29.923 29.700 0.357 0.000 0.756 309 E HN 0.186 nan 8.360 nan 0.000 0.459 310 L N 0.564 121.871 121.223 0.140 0.000 2.046 310 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 310 L C 2.720 179.623 176.870 0.055 0.000 1.077 310 L CA 1.158 56.044 54.840 0.077 0.000 0.747 310 L CB -0.523 41.556 42.059 0.035 0.000 0.896 310 L HN 0.250 nan 8.230 nan 0.000 0.432 311 A N -0.108 122.740 122.820 0.047 0.000 1.930 311 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 311 A C 2.513 180.114 177.584 0.028 0.000 1.175 311 A CA 1.562 53.615 52.037 0.028 0.000 0.627 311 A CB -0.553 18.457 19.000 0.015 0.000 0.815 311 A HN 0.401 nan 8.150 nan 0.000 0.443 312 A N -0.057 122.780 122.820 0.028 0.000 1.898 312 A HA -0.025 4.295 4.320 -0.000 0.000 0.216 312 A C 2.077 179.703 177.584 0.069 0.000 1.181 312 A CA 1.383 53.428 52.037 0.014 0.000 0.620 312 A CB -0.563 18.416 19.000 -0.034 0.000 0.819 312 A HN 0.474 nan 8.150 nan 0.000 0.442 313 I N -0.681 119.969 120.570 0.134 0.000 2.226 313 I HA -0.294 3.876 4.170 -0.000 0.000 0.245 313 I C 2.775 179.038 176.117 0.243 0.000 1.100 313 I CA 1.360 62.809 61.300 0.248 0.000 1.374 313 I CB -0.316 37.799 38.000 0.192 0.000 1.057 313 I HN 0.296 nan 8.210 nan 0.000 0.413 314 R N 0.402 120.977 120.500 0.125 0.000 2.080 314 R HA -0.205 4.135 4.340 -0.000 0.000 0.236 314 R C 2.280 178.626 176.300 0.076 0.000 1.137 314 R CA 1.615 57.772 56.100 0.095 0.000 0.943 314 R CB -0.453 29.875 30.300 0.046 0.000 0.846 314 R HN 0.414 nan 8.270 nan 0.000 0.431 315 E N 0.232 120.454 120.200 0.037 0.000 2.070 315 E HA -0.200 4.150 4.350 -0.000 0.000 0.197 315 E C 2.053 178.630 176.600 -0.038 0.000 1.004 315 E CA 1.695 58.093 56.400 -0.003 0.000 0.805 315 E CB 0.060 29.747 29.700 -0.023 0.000 0.744 315 E HN 0.127 nan 8.360 nan 0.000 0.451 316 V N 0.011 119.883 119.914 -0.071 0.000 2.307 316 V HA -0.218 3.902 4.120 -0.000 0.000 0.245 316 V C 1.845 177.725 176.094 -0.357 0.000 1.045 316 V CA 1.706 63.847 62.300 -0.264 0.000 1.024 316 V CB -0.405 31.158 31.823 -0.433 0.000 0.651 316 V HN 0.211 nan 8.190 nan 0.000 0.449 317 F N -0.227 119.722 119.950 -0.002 0.000 2.619 317 F HA 0.451 4.978 4.527 -0.000 0.000 0.293 317 F C 1.845 177.642 175.800 -0.005 0.000 1.119 317 F CA 0.714 58.712 58.000 -0.004 0.000 1.445 317 F CB -0.499 38.496 39.000 -0.007 0.000 1.119 317 F HN 0.289 nan 8.300 nan 0.000 0.573 318 G N 1.742 110.624 108.800 0.138 0.000 2.591 318 G HA2 -0.453 3.507 3.960 -0.000 0.000 0.298 318 G HA3 -0.453 3.507 3.960 -0.000 0.000 0.298 318 G C 0.380 175.331 174.900 0.084 0.000 1.195 318 G CA 0.685 45.833 45.100 0.080 0.000 0.989 318 G HN 0.438 nan 8.290 nan 0.000 0.551 319 D N 0.432 120.870 120.400 0.063 0.000 2.325 319 D HA 0.287 4.927 4.640 -0.000 0.000 0.225 319 D C 1.160 177.492 176.300 0.053 0.000 1.096 319 D CA 0.593 54.621 54.000 0.046 0.000 0.844 319 D CB 0.234 41.051 40.800 0.029 0.000 0.925 319 D HN 0.537 nan 8.370 nan 0.000 0.513 320 K N 0.278 120.736 120.400 0.096 0.000 2.861 320 K HA 0.233 4.553 4.320 -0.000 0.000 0.210 320 K C -0.379 176.265 176.600 0.073 0.000 1.112 320 K CA -0.365 55.978 56.287 0.094 0.000 1.076 320 K CB 0.846 33.423 32.500 0.128 0.000 0.853 320 K HN -0.051 nan 8.250 nan 0.000 0.463 321 S N 3.305 119.010 115.700 0.009 0.000 2.560 321 S HA 0.123 4.593 4.470 -0.000 0.000 0.284 321 S C -1.704 172.721 174.600 -0.293 0.000 1.327 321 S CA -0.740 57.349 58.200 -0.186 0.000 1.055 321 S CB 0.366 63.506 63.200 -0.099 0.000 0.868 321 S HN 0.277 nan 8.310 nan 0.000 0.506 322 P HA 0.429 nan 4.420 nan 0.000 0.284 322 P C -1.084 176.089 177.300 -0.213 0.000 1.287 322 P CA -0.747 62.150 63.100 -0.338 0.000 0.824 322 P CB 0.647 32.071 31.700 -0.459 0.000 1.180 323 A N 0.772 123.532 122.820 -0.100 0.000 2.498 323 A HA 0.411 4.731 4.320 -0.000 0.000 0.239 323 A C 0.210 177.775 177.584 -0.032 0.000 1.068 323 A CA 0.245 52.278 52.037 -0.008 0.000 0.766 323 A CB -0.785 18.272 19.000 0.097 0.000 1.003 323 A HN 0.476 nan 8.150 nan 0.000 0.497 324 I N 0.979 121.546 120.570 -0.006 0.000 2.686 324 I HA 0.509 4.679 4.170 -0.000 0.000 0.295 324 I C -0.124 176.062 176.117 0.116 0.000 1.114 324 I CA -0.123 61.144 61.300 -0.054 0.000 1.038 324 I CB 2.707 40.642 38.000 -0.109 0.000 1.238 324 I HN 0.798 nan 8.210 nan 0.000 0.420 325 S N 3.455 119.275 115.700 0.200 0.000 2.537 325 S HA 0.861 5.331 4.470 -0.000 0.000 0.270 325 S C -1.071 173.659 174.600 0.217 0.000 1.142 325 S CA -0.832 57.521 58.200 0.255 0.000 0.870 325 S CB 1.957 65.318 63.200 0.268 0.000 1.112 325 S HN 0.803 nan 8.310 nan 0.000 0.466 326 A N 1.937 124.862 122.820 0.175 0.000 2.273 326 A HA 0.599 4.919 4.320 -0.000 0.000 0.320 326 A C 1.141 178.736 177.584 0.018 0.000 1.358 326 A CA -0.264 51.800 52.037 0.044 0.000 0.910 326 A CB -0.208 18.713 19.000 -0.131 0.000 1.159 326 A HN 1.265 nan 8.150 nan 0.000 0.526 327 T N 0.281 114.861 114.554 0.043 0.000 3.051 327 T HA -0.115 4.235 4.350 -0.000 0.000 0.269 327 T C 1.562 176.241 174.700 -0.034 0.000 1.127 327 T CA 0.946 63.039 62.100 -0.012 0.000 1.107 327 T CB -0.260 68.600 68.868 -0.015 0.000 0.898 327 T HN 0.652 nan 8.240 nan 0.000 0.517 328 R N 0.937 121.418 120.500 -0.031 0.000 2.200 328 R HA 0.083 4.423 4.340 -0.000 0.000 0.234 328 R C 2.801 179.070 176.300 -0.052 0.000 1.127 328 R CA 1.071 57.143 56.100 -0.048 0.000 0.989 328 R CB -0.559 29.660 30.300 -0.135 0.000 0.869 328 R HN 0.548 nan 8.270 nan 0.000 0.459 329 A N 0.554 123.333 122.820 -0.069 0.000 1.972 329 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 329 A C 2.031 179.590 177.584 -0.042 0.000 1.169 329 A CA 1.303 53.303 52.037 -0.062 0.000 0.635 329 A CB -0.221 18.743 19.000 -0.060 0.000 0.810 329 A HN 0.209 nan 8.150 nan 0.000 0.446 330 M N -1.052 118.520 119.600 -0.047 0.000 2.357 330 M HA -0.044 4.436 4.480 -0.000 0.000 0.266 330 M C 2.300 178.580 176.300 -0.034 0.000 1.095 330 M CA 1.665 56.936 55.300 -0.048 0.000 1.156 330 M CB -0.100 32.449 32.600 -0.085 0.000 1.365 330 M HN 0.618 nan 8.290 nan 0.000 0.447 331 T N -2.408 112.127 114.554 -0.032 0.000 3.044 331 T HA 0.433 4.783 4.350 -0.000 0.000 0.255 331 T C 1.081 175.807 174.700 0.043 0.000 1.073 331 T CA 0.471 62.574 62.100 0.005 0.000 1.125 331 T CB -0.047 68.848 68.868 0.045 0.000 0.908 331 T HN 0.537 nan 8.240 nan 0.000 0.480 332 G N 0.998 109.832 108.800 0.055 0.000 2.728 332 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.294 332 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.294 332 G C -0.944 174.032 174.900 0.126 0.000 1.342 332 G CA -0.325 44.839 45.100 0.107 0.000 0.866 332 G HN 0.888 nan 8.290 nan 0.000 0.534 333 H N 0.240 119.313 119.070 0.005 0.000 2.581 333 H HA 0.635 5.191 4.556 -0.000 0.000 0.308 333 H C 1.420 176.671 175.328 -0.128 0.000 1.040 333 H CA 0.110 56.069 56.048 -0.147 0.000 1.231 333 H CB 0.920 30.421 29.762 -0.435 0.000 1.396 333 H HN 0.917 nan 8.280 nan 0.000 0.467 334 S N 5.039 120.654 115.700 -0.142 0.000 2.710 334 S HA 0.152 4.622 4.470 -0.000 0.000 0.224 334 S C 1.131 175.543 174.600 -0.313 0.000 0.948 334 S CA -0.037 58.045 58.200 -0.196 0.000 0.949 334 S CB -0.769 62.373 63.200 -0.097 0.000 0.778 334 S HN 0.743 nan 8.310 nan 0.000 0.498 335 L N -0.157 120.659 121.223 -0.678 0.000 5.154 335 L HA -0.355 3.985 4.340 -0.000 0.000 0.053 335 L C 2.281 179.026 176.870 -0.207 0.000 3.137 335 L CA 1.479 55.999 54.840 -0.532 0.000 1.466 335 L CB -2.036 39.813 42.059 -0.349 0.000 2.980 335 L HN 0.448 nan 8.230 nan 0.000 0.938 336 G N -1.074 107.670 108.800 -0.094 0.000 2.462 336 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.220 336 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.220 336 G C 1.241 176.124 174.900 -0.028 0.000 1.121 336 G CA 1.345 46.432 45.100 -0.021 0.000 0.758 336 G HN 0.861 nan 8.290 nan 0.000 0.559 337 A N 0.235 123.022 122.820 -0.054 0.000 2.238 337 A HA 0.661 4.981 4.320 -0.000 0.000 0.210 337 A C 2.528 180.063 177.584 -0.081 0.000 1.179 337 A CA 1.259 53.264 52.037 -0.054 0.000 0.827 337 A CB -0.189 18.785 19.000 -0.044 0.000 0.856 337 A HN 0.528 nan 8.150 nan 0.000 0.488 338 A N 0.172 122.946 122.820 -0.078 0.000 1.877 338 A HA 0.094 4.414 4.320 -0.000 0.000 0.216 338 A C 2.355 179.896 177.584 -0.071 0.000 1.186 338 A CA 1.902 53.913 52.037 -0.044 0.000 0.620 338 A CB -1.339 17.694 19.000 0.056 0.000 0.822 338 A HN 0.687 nan 8.150 nan 0.000 0.443 339 G N -0.792 107.973 108.800 -0.058 0.000 2.491 339 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.218 339 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.218 339 G C 1.676 176.501 174.900 -0.124 0.000 1.180 339 G CA 1.511 46.562 45.100 -0.082 0.000 0.774 339 G HN 0.675 nan 8.290 nan 0.000 0.562 340 V N 0.074 119.911 119.914 -0.128 0.000 2.488 340 V HA -0.078 4.042 4.120 -0.000 0.000 0.246 340 V C 2.714 178.657 176.094 -0.251 0.000 1.046 340 V CA 2.375 64.580 62.300 -0.158 0.000 1.053 340 V CB -0.246 31.505 31.823 -0.120 0.000 0.679 340 V HN 0.519 nan 8.190 nan 0.000 0.458 341 Q N -0.379 119.242 119.800 -0.299 0.000 2.124 341 Q HA -0.269 4.071 4.340 -0.000 0.000 0.202 341 Q C 2.128 177.561 176.000 -0.946 0.000 0.977 341 Q CA 2.208 57.672 55.803 -0.564 0.000 0.850 341 Q CB -0.100 28.363 28.738 -0.458 0.000 0.901 341 Q HN 0.710 nan 8.270 nan 0.000 0.429 342 E N 0.250 120.139 120.200 -0.518 0.000 2.216 342 E HA -0.078 4.272 4.350 -0.000 0.000 0.192 342 E C 1.850 178.339 176.600 -0.184 0.000 0.988 342 E CA 0.714 56.930 56.400 -0.306 0.000 0.834 342 E CB 0.000 29.663 29.700 -0.061 0.000 0.772 342 E HN 0.346 nan 8.360 nan 0.000 0.479 343 A N 0.816 123.520 122.820 -0.192 0.000 1.902 343 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 343 A C 2.133 179.631 177.584 -0.143 0.000 1.181 343 A CA 1.059 53.019 52.037 -0.129 0.000 0.623 343 A CB -0.494 18.427 19.000 -0.131 0.000 0.818 343 A HN 0.170 nan 8.150 nan 0.000 0.443 344 I N -1.571 118.856 120.570 -0.239 0.000 2.252 344 I HA -0.243 3.927 4.170 -0.000 0.000 0.245 344 I C 2.292 178.371 176.117 -0.064 0.000 1.102 344 I CA 1.150 62.322 61.300 -0.212 0.000 1.385 344 I CB -0.376 37.465 38.000 -0.265 0.000 1.064 344 I HN 0.387 nan 8.210 nan 0.000 0.414 345 Y N 0.682 120.965 120.300 -0.029 0.000 2.224 345 Y HA -0.196 4.354 4.550 -0.000 0.000 0.289 345 Y C 2.908 178.789 175.900 -0.033 0.000 1.146 345 Y CA 0.845 58.938 58.100 -0.012 0.000 1.182 345 Y CB -1.393 37.069 38.460 0.004 0.000 0.983 345 Y HN 0.106 nan 8.280 nan 0.000 0.524 346 S N 0.081 115.872 115.700 0.150 0.000 2.383 346 S HA -0.120 4.350 4.470 -0.000 0.000 0.227 346 S C 2.140 176.766 174.600 0.042 0.000 1.026 346 S CA 1.056 59.331 58.200 0.124 0.000 0.981 346 S CB -0.594 62.696 63.200 0.150 0.000 0.818 346 S HN 0.359 nan 8.310 nan 0.000 0.472 347 L N 0.957 122.185 121.223 0.009 0.000 2.093 347 L HA -0.048 4.292 4.340 -0.000 0.000 0.208 347 L C 2.200 179.111 176.870 0.069 0.000 1.085 347 L CA 0.918 55.754 54.840 -0.006 0.000 0.755 347 L CB -0.538 41.431 42.059 -0.150 0.000 0.904 347 L HN 0.286 nan 8.230 nan 0.000 0.435 348 L N -1.074 120.211 121.223 0.103 0.000 2.093 348 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 348 L C 2.655 179.688 176.870 0.272 0.000 1.085 348 L CA 1.247 56.263 54.840 0.294 0.000 0.755 348 L CB -0.324 41.910 42.059 0.292 0.000 0.904 348 L HN 0.309 nan 8.230 nan 0.000 0.435 349 M N -0.843 118.698 119.600 -0.098 0.000 2.117 349 M HA -0.238 4.242 4.480 -0.000 0.000 0.262 349 M C 2.308 178.496 176.300 -0.188 0.000 1.065 349 M CA 1.616 56.587 55.300 -0.548 0.000 1.114 349 M CB -0.322 31.805 32.600 -0.788 0.000 1.361 349 M HN 0.216 nan 8.290 nan 0.000 0.408 350 L N 0.559 121.751 121.223 -0.052 0.000 2.056 350 L HA -0.169 4.171 4.340 -0.000 0.000 0.207 350 L C 2.238 179.138 176.870 0.050 0.000 1.078 350 L CA 2.011 56.858 54.840 0.011 0.000 0.749 350 L CB -0.593 41.491 42.059 0.042 0.000 0.901 350 L HN 0.210 nan 8.230 nan 0.000 0.433 351 E N -1.229 119.030 120.200 0.099 0.000 2.072 351 E HA -0.200 4.150 4.350 -0.000 0.000 0.191 351 E C 1.905 178.399 176.600 -0.177 0.000 0.985 351 E CA 1.559 57.972 56.400 0.020 0.000 0.801 351 E CB -0.150 29.640 29.700 0.151 0.000 0.750 351 E HN 0.639 nan 8.360 nan 0.000 0.452 352 H N -1.184 118.015 119.070 0.216 0.000 2.551 352 H HA 0.266 4.822 4.556 -0.000 0.000 0.271 352 H C 0.547 176.030 175.328 0.257 0.000 0.984 352 H CA 0.571 56.764 56.048 0.242 0.000 1.164 352 H CB 0.525 30.473 29.762 0.311 0.000 1.437 352 H HN 0.279 nan 8.280 nan 0.000 0.550 353 G N 1.947 110.890 108.800 0.238 0.000 2.370 353 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.295 353 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.295 353 G C -0.262 174.789 174.900 0.252 0.000 1.045 353 G CA 0.660 45.856 45.100 0.160 0.000 1.199 353 G HN 0.530 nan 8.290 nan 0.000 0.513 354 F N -1.607 118.331 119.950 -0.020 0.000 2.741 354 F HA 0.809 5.336 4.527 -0.000 0.000 0.311 354 F C -0.966 174.740 175.800 -0.158 0.000 1.149 354 F CA -2.154 55.809 58.000 -0.061 0.000 0.930 354 F CB 1.152 40.129 39.000 -0.039 0.000 1.312 354 F HN 0.087 nan 8.300 nan 0.000 0.450 355 I N 2.725 123.129 120.570 -0.278 0.000 2.389 355 I HA 0.634 4.804 4.170 -0.000 0.000 0.288 355 I C 0.090 176.062 176.117 -0.241 0.000 0.999 355 I CA -1.052 59.926 61.300 -0.538 0.000 1.129 355 I CB 1.731 39.536 38.000 -0.325 0.000 1.288 355 I HN 0.974 nan 8.210 nan 0.000 0.444 356 A N 8.988 131.588 122.820 -0.367 0.000 2.386 356 A HA 0.547 4.867 4.320 -0.000 0.000 0.248 356 A C -2.384 175.202 177.584 0.002 0.000 1.082 356 A CA -1.064 50.974 52.037 0.001 0.000 0.789 356 A CB -0.256 18.733 19.000 -0.019 0.000 1.025 356 A HN 0.426 nan 8.150 nan 0.000 0.490 357 P HA 0.150 nan 4.420 nan 0.000 0.278 357 P C -0.390 176.936 177.300 0.044 0.000 1.238 357 P CA -0.260 62.864 63.100 0.040 0.000 0.794 357 P CB 1.220 32.939 31.700 0.032 0.000 0.955 358 S N 2.528 118.269 115.700 0.068 0.000 2.473 358 S HA 0.332 4.802 4.470 -0.000 0.000 0.312 358 S C 0.713 175.344 174.600 0.051 0.000 1.087 358 S CA -0.757 57.493 58.200 0.084 0.000 1.077 358 S CB -1.485 61.811 63.200 0.160 0.000 1.065 358 S HN 0.331 nan 8.310 nan 0.000 0.510 359 I N 1.791 122.371 120.570 0.018 0.000 3.156 359 I HA 0.448 4.618 4.170 -0.000 0.000 0.306 359 I C 0.439 176.552 176.117 -0.007 0.000 1.048 359 I CA -0.582 60.721 61.300 0.004 0.000 1.207 359 I CB 0.261 38.256 38.000 -0.010 0.000 1.456 359 I HN 0.470 nan 8.210 nan 0.000 0.616 360 N N 0.824 119.516 118.700 -0.014 0.000 2.741 360 N HA -0.179 4.561 4.740 -0.000 0.000 0.250 360 N C -0.621 174.877 175.510 -0.021 0.000 1.115 360 N CA 0.948 53.979 53.050 -0.031 0.000 0.724 360 N CB -1.558 36.885 38.487 -0.073 0.000 1.090 360 N HN 0.601 nan 8.380 nan 0.000 0.558 361 I N 1.195 121.769 120.570 0.007 0.000 2.269 361 I HA 0.054 4.224 4.170 -0.000 0.000 0.293 361 I C 1.424 177.549 176.117 0.013 0.000 1.106 361 I CA -0.084 61.227 61.300 0.019 0.000 1.248 361 I CB 0.474 38.506 38.000 0.052 0.000 1.444 361 I HN 0.026 nan 8.210 nan 0.000 0.497 362 E N 3.985 124.191 120.200 0.010 0.000 2.250 362 E HA 0.009 4.359 4.350 -0.000 0.000 0.192 362 E C 0.465 177.075 176.600 0.016 0.000 0.986 362 E CA 0.519 56.935 56.400 0.027 0.000 0.849 362 E CB 0.532 30.270 29.700 0.063 0.000 0.797 362 E HN 0.525 nan 8.360 nan 0.000 0.482 363 E N 1.266 121.452 120.200 -0.023 0.000 2.432 363 E HA 0.138 4.488 4.350 -0.000 0.000 0.272 363 E C -1.406 175.162 176.600 -0.054 0.000 0.937 363 E CA -0.526 55.847 56.400 -0.045 0.000 0.812 363 E CB 1.096 30.738 29.700 -0.096 0.000 1.377 363 E HN -0.057 nan 8.360 nan 0.000 0.399 364 L N 3.852 125.064 121.223 -0.018 0.000 2.490 364 L HA 0.100 4.440 4.340 -0.000 0.000 0.274 364 L C 0.252 177.115 176.870 -0.011 0.000 1.201 364 L CA 0.594 55.432 54.840 -0.003 0.000 0.869 364 L CB 0.641 42.695 42.059 -0.009 0.000 1.123 364 L HN 0.553 nan 8.230 nan 0.000 0.484 365 D N 3.217 123.626 120.400 0.015 0.000 2.443 365 D HA -0.074 4.566 4.640 -0.000 0.000 0.239 365 D C 0.917 177.218 176.300 0.002 0.000 1.136 365 D CA 0.483 54.492 54.000 0.015 0.000 0.879 365 D CB 0.939 41.777 40.800 0.063 0.000 1.195 365 D HN 0.828 nan 8.370 nan 0.000 0.443 366 E N 2.152 122.354 120.200 0.003 0.000 2.209 366 E HA -0.258 4.092 4.350 -0.000 0.000 0.196 366 E C 0.981 177.579 176.600 -0.002 0.000 0.993 366 E CA 1.079 57.479 56.400 0.001 0.000 0.819 366 E CB -0.130 29.574 29.700 0.007 0.000 0.745 366 E HN 0.552 nan 8.360 nan 0.000 0.477 367 Q N -0.056 119.748 119.800 0.007 0.000 2.444 367 Q HA 0.151 4.491 4.340 -0.000 0.000 0.206 367 Q C 1.318 177.304 176.000 -0.024 0.000 0.948 367 Q CA 0.536 56.341 55.803 0.003 0.000 0.946 367 Q CB 0.482 29.233 28.738 0.023 0.000 1.027 367 Q HN 0.432 nan 8.270 nan 0.000 0.513 368 A N 0.471 123.261 122.820 -0.051 0.000 2.348 368 A HA 0.433 4.753 4.320 -0.000 0.000 0.224 368 A C 0.878 178.405 177.584 -0.095 0.000 1.227 368 A CA -0.133 51.829 52.037 -0.125 0.000 0.885 368 A CB 0.241 19.108 19.000 -0.222 0.000 0.933 368 A HN 0.261 nan 8.150 nan 0.000 0.506 369 A N -0.511 122.277 122.820 -0.053 0.000 2.546 369 A HA 0.425 4.745 4.320 -0.000 0.000 0.243 369 A C 1.645 179.205 177.584 -0.039 0.000 1.063 369 A CA 0.823 52.836 52.037 -0.039 0.000 0.757 369 A CB -0.628 18.359 19.000 -0.021 0.000 0.991 369 A HN 1.957 nan 8.150 nan 0.000 0.503 370 G N 1.115 109.893 108.800 -0.038 0.000 2.195 370 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.246 370 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.246 370 G C 0.089 174.963 174.900 -0.044 0.000 0.984 370 G CA 0.386 45.467 45.100 -0.032 0.000 0.633 370 G HN 0.822 nan 8.290 nan 0.000 0.525 371 L N 0.452 121.635 121.223 -0.067 0.000 2.360 371 L HA 0.422 4.762 4.340 -0.000 0.000 0.271 371 L C 0.793 177.610 176.870 -0.088 0.000 1.057 371 L CA -0.766 54.023 54.840 -0.086 0.000 0.803 371 L CB 1.463 43.448 42.059 -0.124 0.000 1.207 371 L HN 0.236 nan 8.230 nan 0.000 0.445 372 N N 2.796 121.446 118.700 -0.082 0.000 2.807 372 N HA 0.147 4.887 4.740 -0.000 0.000 0.259 372 N C -0.808 174.664 175.510 -0.063 0.000 1.149 372 N CA -0.627 52.386 53.050 -0.060 0.000 1.042 372 N CB 0.354 38.815 38.487 -0.043 0.000 1.367 372 N HN 0.359 nan 8.380 nan 0.000 0.516 373 I N 3.685 124.207 120.570 -0.080 0.000 2.363 373 I HA 0.089 4.259 4.170 -0.000 0.000 0.292 373 I C 0.462 176.579 176.117 0.000 0.000 1.075 373 I CA -0.414 60.846 61.300 -0.067 0.000 1.333 373 I CB 0.725 38.648 38.000 -0.129 0.000 1.415 373 I HN 0.106 nan 8.210 nan 0.000 0.502 374 V N 7.212 127.151 119.914 0.042 0.000 2.470 374 V HA 0.091 4.211 4.120 -0.000 0.000 0.276 374 V C 1.375 177.500 176.094 0.052 0.000 1.040 374 V CA 0.147 62.475 62.300 0.047 0.000 1.008 374 V CB 0.821 32.682 31.823 0.063 0.000 0.990 374 V HN 0.917 nan 8.190 nan 0.000 0.477 375 T N 0.535 115.111 114.554 0.036 0.000 3.084 375 T HA 0.290 4.640 4.350 -0.000 0.000 0.270 375 T C 0.141 174.857 174.700 0.028 0.000 1.008 375 T CA -0.232 61.889 62.100 0.036 0.000 0.900 375 T CB -0.144 68.742 68.868 0.030 0.000 1.084 375 T HN 0.814 nan 8.240 nan 0.000 0.538 376 E N 0.369 120.585 120.200 0.027 0.000 2.308 376 E HA 0.427 4.777 4.350 -0.000 0.000 0.275 376 E C -1.376 175.245 176.600 0.034 0.000 0.890 376 E CA -1.021 55.394 56.400 0.024 0.000 0.754 376 E CB 1.085 30.796 29.700 0.017 0.000 1.207 376 E HN -0.099 nan 8.360 nan 0.000 0.426 377 T N 2.602 117.180 114.554 0.040 0.000 2.866 377 T HA 0.080 4.430 4.350 -0.000 0.000 0.293 377 T C -0.397 174.345 174.700 0.070 0.000 1.005 377 T CA 0.521 62.667 62.100 0.076 0.000 1.162 377 T CB 0.169 69.063 68.868 0.044 0.000 0.968 377 T HN 0.455 nan 8.240 nan 0.000 0.530 378 T N 4.254 118.867 114.554 0.098 0.000 2.847 378 T HA 0.213 4.563 4.350 -0.000 0.000 0.291 378 T C -0.481 174.281 174.700 0.102 0.000 0.998 378 T CA -0.930 61.211 62.100 0.069 0.000 0.967 378 T CB 0.989 69.877 68.868 0.035 0.000 0.954 378 T HN 0.450 nan 8.240 nan 0.000 0.441 379 D N 3.131 123.585 120.400 0.090 0.000 2.417 379 D HA 0.284 4.924 4.640 -0.000 0.000 0.250 379 D C 0.409 176.751 176.300 0.069 0.000 1.166 379 D CA 0.323 54.387 54.000 0.107 0.000 0.881 379 D CB 0.913 41.754 40.800 0.069 0.000 1.164 379 D HN 0.411 nan 8.370 nan 0.000 0.467 380 R N 1.560 122.101 120.500 0.069 0.000 2.579 380 R HA 0.101 4.441 4.340 -0.000 0.000 0.260 380 R C -1.111 175.207 176.300 0.030 0.000 1.103 380 R CA -0.573 55.547 56.100 0.034 0.000 0.942 380 R CB 1.424 31.732 30.300 0.012 0.000 1.251 380 R HN 0.267 nan 8.270 nan 0.000 0.450 381 E N 4.338 124.554 120.200 0.026 0.000 2.265 381 E HA 0.140 4.490 4.350 -0.000 0.000 0.272 381 E C -0.432 176.176 176.600 0.014 0.000 1.067 381 E CA 0.121 56.535 56.400 0.022 0.000 0.900 381 E CB 0.744 30.455 29.700 0.019 0.000 1.017 381 E HN 0.309 nan 8.360 nan 0.000 0.431 382 L N 2.011 123.239 121.223 0.010 0.000 2.332 382 L HA 0.377 4.717 4.340 -0.000 0.000 0.269 382 L C 1.026 177.907 176.870 0.018 0.000 1.016 382 L CA -0.421 54.426 54.840 0.012 0.000 0.809 382 L CB 1.739 43.798 42.059 0.001 0.000 1.280 382 L HN 0.516 nan 8.230 nan 0.000 0.447 383 T N -1.926 112.643 114.554 0.025 0.000 3.115 383 T HA 0.103 4.453 4.350 -0.000 0.000 0.256 383 T C 0.118 174.835 174.700 0.029 0.000 0.970 383 T CA 0.255 62.368 62.100 0.023 0.000 1.010 383 T CB 0.753 69.632 68.868 0.019 0.000 1.151 383 T HN 0.583 nan 8.240 nan 0.000 0.479 384 T N 2.836 117.413 114.554 0.037 0.000 2.879 384 T HA 0.695 5.045 4.350 -0.000 0.000 0.290 384 T C -0.813 173.919 174.700 0.054 0.000 0.993 384 T CA -0.671 61.455 62.100 0.043 0.000 0.975 384 T CB 2.080 70.974 68.868 0.043 0.000 0.981 384 T HN 0.243 nan 8.240 nan 0.000 0.439 385 V N 1.119 121.068 119.914 0.059 0.000 3.001 385 V HA 0.887 5.007 4.120 -0.000 0.000 0.314 385 V C -0.733 175.378 176.094 0.029 0.000 1.099 385 V CA -1.251 61.089 62.300 0.067 0.000 0.989 385 V CB 2.202 34.113 31.823 0.147 0.000 1.040 385 V HN 0.984 nan 8.190 nan 0.000 0.434 386 M N 2.791 122.372 119.600 -0.031 0.000 2.518 386 M HA 0.775 5.255 4.480 -0.000 0.000 0.300 386 M C -1.117 175.132 176.300 -0.085 0.000 1.175 386 M CA -0.278 55.008 55.300 -0.024 0.000 0.890 386 M CB 2.226 34.843 32.600 0.028 0.000 1.710 386 M HN 1.013 nan 8.290 nan 0.000 0.453 387 S N 3.057 118.724 115.700 -0.054 0.000 2.614 387 S HA 0.593 5.063 4.470 -0.000 0.000 0.288 387 S C -1.577 172.955 174.600 -0.114 0.000 1.137 387 S CA -0.786 57.363 58.200 -0.086 0.000 0.992 387 S CB 1.130 64.295 63.200 -0.058 0.000 1.026 387 S HN 0.856 nan 8.310 nan 0.000 0.486 388 N N 2.211 120.796 118.700 -0.193 0.000 2.405 388 N HA 0.527 5.267 4.740 -0.000 0.000 0.299 388 N C -1.353 173.851 175.510 -0.511 0.000 1.075 388 N CA -0.450 52.347 53.050 -0.422 0.000 0.884 388 N CB 1.895 40.015 38.487 -0.613 0.000 1.194 388 N HN 0.493 nan 8.380 nan 0.000 0.491 389 S N 1.632 116.945 115.700 -0.646 0.000 2.779 389 S HA 0.485 4.955 4.470 -0.000 0.000 0.293 389 S C -1.228 173.045 174.600 -0.544 0.000 1.150 389 S CA -0.605 57.361 58.200 -0.391 0.000 1.057 389 S CB 0.221 63.319 63.200 -0.171 0.000 1.021 389 S HN 0.283 nan 8.310 nan 0.000 0.485 390 F N 2.000 121.639 119.950 -0.519 0.000 2.366 390 F HA 0.629 5.156 4.527 0.000 0.000 0.366 390 F C 0.867 176.428 175.800 -0.399 0.000 1.096 390 F CA -1.063 56.625 58.000 -0.521 0.000 1.060 390 F CB 1.076 39.708 39.000 -0.614 0.000 1.282 390 F HN 0.618 nan 8.300 nan 0.000 0.450 391 G N 1.288 110.155 108.800 0.113 0.000 2.491 391 G HA2 0.500 4.460 3.960 -0.000 0.000 0.327 391 G HA3 0.500 4.460 3.960 -0.000 0.000 0.327 391 G C -0.834 174.227 174.900 0.269 0.000 1.189 391 G CA -0.616 44.636 45.100 0.253 0.000 0.956 391 G HN 0.219 nan 8.290 nan 0.000 0.491 392 F N 0.107 120.162 119.950 0.176 0.000 2.628 392 F HA 0.321 4.848 4.527 -0.000 0.000 0.362 392 F C 1.656 177.526 175.800 0.116 0.000 1.148 392 F CA 1.932 60.025 58.000 0.156 0.000 1.352 392 F CB 0.941 40.051 39.000 0.184 0.000 1.081 392 F HN 0.874 nan 8.300 nan 0.000 0.605 393 G N 1.101 110.022 108.800 0.201 0.000 2.157 393 G HA2 0.043 4.003 3.960 -0.000 0.000 0.239 393 G HA3 0.043 4.003 3.960 -0.000 0.000 0.239 393 G C 0.884 175.828 174.900 0.074 0.000 0.982 393 G CA 0.231 45.414 45.100 0.138 0.000 0.650 393 G HN 1.913 nan 8.290 nan 0.000 0.527 394 G N -1.229 107.592 108.800 0.035 0.000 2.198 394 G HA2 0.033 3.993 3.960 -0.000 0.000 0.260 394 G HA3 0.033 3.993 3.960 -0.000 0.000 0.260 394 G C 0.449 175.374 174.900 0.042 0.000 1.025 394 G CA 1.442 46.544 45.100 0.003 0.000 0.769 394 G HN 1.982 nan 8.290 nan 0.000 0.507 395 T N 0.641 115.259 114.554 0.107 0.000 2.744 395 T HA 0.550 4.900 4.350 -0.000 0.000 0.291 395 T C 0.037 174.872 174.700 0.226 0.000 0.957 395 T CA -0.524 61.680 62.100 0.173 0.000 1.002 395 T CB 0.253 69.254 68.868 0.222 0.000 0.919 395 T HN 0.305 nan 8.240 nan 0.000 0.468 396 N N 3.012 121.856 118.700 0.239 0.000 2.314 396 N HA 0.727 5.467 4.740 -0.000 0.000 0.304 396 N C -1.192 174.445 175.510 0.212 0.000 1.073 396 N CA -0.619 52.609 53.050 0.297 0.000 0.822 396 N CB 2.066 40.682 38.487 0.216 0.000 1.280 396 N HN 0.749 nan 8.380 nan 0.000 0.489 397 A N 0.676 123.539 122.820 0.072 0.000 2.455 397 A HA 0.754 5.074 4.320 -0.000 0.000 0.300 397 A C -0.874 176.692 177.584 -0.030 0.000 1.040 397 A CA -0.503 51.490 52.037 -0.073 0.000 0.697 397 A CB 1.336 20.041 19.000 -0.492 0.000 1.265 397 A HN 0.453 nan 8.150 nan 0.000 0.407 398 T N 2.174 116.762 114.554 0.056 0.000 2.916 398 T HA 0.616 4.966 4.350 -0.000 0.000 0.298 398 T C -0.911 173.858 174.700 0.115 0.000 1.031 398 T CA -0.269 61.859 62.100 0.047 0.000 0.993 398 T CB 0.997 69.916 68.868 0.085 0.000 1.045 398 T HN 0.505 nan 8.240 nan 0.000 0.454 399 L N 2.619 123.881 121.223 0.065 0.000 2.362 399 L HA 0.771 5.111 4.340 -0.000 0.000 0.275 399 L C -0.820 176.084 176.870 0.056 0.000 0.998 399 L CA -1.121 53.768 54.840 0.081 0.000 0.820 399 L CB 2.024 44.095 42.059 0.021 0.000 1.270 399 L HN 0.331 nan 8.230 nan 0.000 0.415 400 V N 4.046 124.003 119.914 0.071 0.000 2.448 400 V HA 0.525 4.645 4.120 -0.000 0.000 0.295 400 V C -0.144 175.977 176.094 0.045 0.000 1.025 400 V CA -0.348 61.987 62.300 0.059 0.000 0.859 400 V CB 1.838 33.705 31.823 0.073 0.000 0.988 400 V HN 0.713 nan 8.190 nan 0.000 0.431 401 M N 5.273 124.895 119.600 0.036 0.000 2.393 401 M HA 0.662 5.142 4.480 -0.000 0.000 0.316 401 M C -0.575 175.744 176.300 0.033 0.000 1.087 401 M CA -0.416 54.901 55.300 0.028 0.000 0.937 401 M CB 2.559 35.171 32.600 0.019 0.000 1.668 401 M HN 0.577 nan 8.290 nan 0.000 0.438 402 R N 1.705 122.220 120.500 0.026 0.000 2.673 402 R HA 0.391 4.731 4.340 -0.000 0.000 0.281 402 R C 0.332 176.641 176.300 0.015 0.000 0.991 402 R CA -0.609 55.505 56.100 0.024 0.000 0.896 402 R CB 1.693 32.006 30.300 0.022 0.000 1.201 402 R HN 0.842 nan 8.270 nan 0.000 0.457 403 K N 5.239 125.647 120.400 0.013 0.000 2.243 403 K HA 0.026 4.346 4.320 -0.000 0.000 0.201 403 K C 1.189 177.783 176.600 -0.010 0.000 1.051 403 K CA 0.474 56.761 56.287 0.000 0.000 0.970 403 K CB -0.474 32.025 32.500 -0.001 0.000 0.755 403 K HN 0.496 nan 8.250 nan 0.000 0.465 404 L N -0.290 120.931 121.223 -0.004 0.000 6.083 404 L HA -0.359 3.981 4.340 -0.000 0.000 0.054 404 L C 0.143 177.004 176.870 -0.015 0.000 1.643 404 L CA 1.987 56.822 54.840 -0.007 0.000 1.886 404 L CB -2.118 39.938 42.059 -0.005 0.000 2.480 404 L HN 0.750 nan 8.230 nan 0.000 0.940 405 K N 1.511 121.902 120.400 -0.015 0.000 4.823 405 K HA -0.145 4.175 4.320 -0.000 0.000 0.357 405 K C -0.597 175.993 176.600 -0.017 0.000 1.055 405 K CA 1.140 57.415 56.287 -0.020 0.000 1.110 405 K CB -1.222 31.259 32.500 -0.031 0.000 1.617 405 K HN 0.992 nan 8.250 nan 0.000 0.424 406 D N 0.000 120.393 120.400 -0.012 0.000 6.856 406 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 406 D CA 0.000 53.994 54.000 -0.010 0.000 0.868 406 D CB 0.000 40.796 40.800 -0.007 0.000 0.688 406 D HN 0.000 nan 8.370 nan 0.000 0.683