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 2byy_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 PIDYLNSEGT DATA SEQUENCE STPVGDVKEL AAIREVFGDK SPAISATKAM 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 0.000 176.308 176.300 0.014 0.000 1.140 1 M CA 0.000 55.310 55.300 0.016 0.000 0.988 1 M CB 0.000 32.612 32.600 0.020 0.000 1.302 2 K N 2.105 122.512 120.400 0.011 0.000 2.350 2 K HA 0.391 4.712 4.320 0.003 0.000 0.279 2 K C -0.756 175.848 176.600 0.005 0.000 1.027 2 K CA 0.111 56.402 56.287 0.007 0.000 0.969 2 K CB 0.447 32.948 32.500 0.002 0.000 0.954 2 K HN 0.472 nan 8.250 nan 0.000 0.474 3 R N 0.740 121.242 120.500 0.002 0.000 2.428 3 R HA 0.504 4.845 4.340 0.003 0.000 0.294 3 R C -0.300 175.993 176.300 -0.012 0.000 1.000 3 R CA -0.628 55.471 56.100 -0.000 0.000 0.960 3 R CB 1.422 31.722 30.300 0.001 0.000 1.076 3 R HN 0.592 nan 8.270 nan 0.000 0.475 4 A N 2.500 125.309 122.820 -0.018 0.000 2.330 4 A HA 0.650 4.972 4.320 0.003 0.000 0.327 4 A C -0.276 177.285 177.584 -0.038 0.000 1.155 4 A CA -0.678 51.337 52.037 -0.038 0.000 0.803 4 A CB 1.047 20.018 19.000 -0.049 0.000 1.208 4 A HN 0.551 nan 8.150 nan 0.000 0.477 5 V N -0.105 119.780 119.914 -0.048 0.000 3.102 5 V HA 0.711 4.833 4.120 0.003 0.000 0.312 5 V C -0.698 175.365 176.094 -0.050 0.000 1.135 5 V CA -1.066 61.209 62.300 -0.042 0.000 1.022 5 V CB 1.822 33.622 31.823 -0.038 0.000 1.056 5 V HN 0.620 nan 8.190 nan 0.000 0.436 6 I N 2.778 123.333 120.570 -0.025 0.000 2.312 6 I HA 0.435 4.606 4.170 0.003 0.000 0.290 6 I C 1.034 177.197 176.117 0.076 0.000 1.008 6 I CA 0.149 61.445 61.300 -0.006 0.000 1.226 6 I CB 1.124 39.113 38.000 -0.018 0.000 1.371 6 I HN 1.041 nan 8.210 nan 0.000 0.468 7 T N 1.118 115.708 114.554 0.059 0.000 3.084 7 T HA 0.494 4.846 4.350 0.003 0.000 0.270 7 T C 0.524 175.347 174.700 0.205 0.000 1.008 7 T CA -0.335 61.820 62.100 0.091 0.000 0.900 7 T CB 0.518 69.390 68.868 0.007 0.000 1.084 7 T HN 0.736 nan 8.240 nan 0.000 0.538 8 G N 1.384 110.316 108.800 0.220 0.000 2.632 8 G HA2 0.591 4.552 3.960 0.003 0.000 0.292 8 G HA3 0.591 4.552 3.960 0.003 0.000 0.292 8 G C -2.176 172.763 174.900 0.065 0.000 1.465 8 G CA -0.870 44.362 45.100 0.220 0.000 0.824 8 G HN 0.711 nan 8.290 nan 0.000 0.509 9 L N -1.733 119.506 121.223 0.026 0.000 2.622 9 L HA 1.037 5.379 4.340 0.003 0.000 0.258 9 L C -0.192 176.647 176.870 -0.051 0.000 0.996 9 L CA -0.689 54.093 54.840 -0.096 0.000 0.858 9 L CB 1.642 43.528 42.059 -0.287 0.000 1.449 9 L HN 1.458 nan 8.230 nan 0.000 0.411 10 G N 0.664 109.420 108.800 -0.072 0.000 2.718 10 G HA2 0.777 4.739 3.960 0.003 0.000 0.295 10 G HA3 0.777 4.739 3.960 0.003 0.000 0.295 10 G C -2.123 172.744 174.900 -0.056 0.000 1.421 10 G CA -0.575 44.496 45.100 -0.049 0.000 0.902 10 G HN 1.131 nan 8.290 nan 0.000 0.501 11 I N 0.256 120.808 120.570 -0.031 0.000 2.828 11 I HA 0.579 4.750 4.170 0.003 0.000 0.295 11 I C -1.586 174.524 176.117 -0.011 0.000 1.459 11 I CA -0.925 60.354 61.300 -0.036 0.000 1.015 11 I CB 2.292 40.259 38.000 -0.055 0.000 1.345 11 I HN 0.372 nan 8.210 nan 0.000 0.449 12 V N 6.250 126.147 119.914 -0.028 0.000 2.385 12 V HA 0.482 4.603 4.120 0.003 0.000 0.277 12 V C -0.272 175.746 176.094 -0.127 0.000 1.012 12 V CA -0.212 62.057 62.300 -0.052 0.000 0.832 12 V CB 1.167 32.984 31.823 -0.009 0.000 1.028 12 V HN 0.793 nan 8.190 nan 0.000 0.436 13 S N 2.049 117.703 115.700 -0.077 0.000 2.671 13 S HA 0.478 4.950 4.470 0.003 0.000 0.299 13 S C 1.300 175.853 174.600 -0.078 0.000 1.116 13 S CA 0.092 58.251 58.200 -0.069 0.000 0.912 13 S CB 1.876 65.121 63.200 0.075 0.000 1.130 13 S HN 0.859 nan 8.310 nan 0.000 0.501 14 S N 0.750 116.403 115.700 -0.078 0.000 2.420 14 S HA -0.162 4.309 4.470 0.003 0.000 0.237 14 S C 1.500 176.075 174.600 -0.041 0.000 1.023 14 S CA 1.354 59.510 58.200 -0.074 0.000 0.991 14 S CB -1.182 61.986 63.200 -0.054 0.000 0.792 14 S HN 1.045 nan 8.310 nan 0.000 0.488 15 I N -2.206 118.348 120.570 -0.027 0.000 3.904 15 I HA 0.640 4.811 4.170 0.003 0.000 0.333 15 I C 0.592 176.697 176.117 -0.020 0.000 1.361 15 I CA -0.360 60.918 61.300 -0.037 0.000 1.116 15 I CB -0.011 37.940 38.000 -0.083 0.000 1.028 15 I HN 0.316 nan 8.210 nan 0.000 0.398 16 G N 0.858 109.654 108.800 -0.006 0.000 2.498 16 G HA2 0.109 4.071 3.960 0.003 0.000 0.301 16 G HA3 0.109 4.071 3.960 0.003 0.000 0.301 16 G C -0.744 174.156 174.900 0.000 0.000 1.577 16 G CA -0.549 44.553 45.100 0.002 0.000 0.868 16 G HN -0.044 nan 8.290 nan 0.000 0.599 17 N N -0.155 118.546 118.700 0.002 0.000 2.373 17 N HA 0.068 4.810 4.740 0.003 0.000 0.181 17 N C 0.514 176.035 175.510 0.017 0.000 1.082 17 N CA 0.874 53.927 53.050 0.006 0.000 0.885 17 N CB 0.265 38.759 38.487 0.012 0.000 0.977 17 N HN 0.796 nan 8.380 nan 0.000 0.462 18 N N -1.556 117.155 118.700 0.019 0.000 3.243 18 N HA 0.026 4.768 4.740 0.003 0.000 0.280 18 N C 0.299 175.827 175.510 0.029 0.000 1.545 18 N CA -0.632 52.431 53.050 0.023 0.000 0.854 18 N CB 0.369 38.870 38.487 0.025 0.000 1.612 18 N HN -0.146 nan 8.380 nan 0.000 0.577 19 Q N -1.245 118.576 119.800 0.035 0.000 2.291 19 Q HA -0.066 4.275 4.340 0.003 0.000 0.205 19 Q C 0.718 176.736 176.000 0.030 0.000 0.970 19 Q CA 1.434 57.266 55.803 0.047 0.000 0.876 19 Q CB -0.289 28.491 28.738 0.069 0.000 0.935 19 Q HN 0.633 nan 8.270 nan 0.000 0.455 20 Q N 1.130 120.940 119.800 0.016 0.000 2.096 20 Q HA -0.066 4.276 4.340 0.003 0.000 0.197 20 Q C 1.690 177.673 176.000 -0.028 0.000 0.964 20 Q CA 1.600 57.395 55.803 -0.014 0.000 0.838 20 Q CB 0.174 28.909 28.738 -0.006 0.000 0.906 20 Q HN 0.525 nan 8.270 nan 0.000 0.444 21 E N -0.216 119.977 120.200 -0.011 0.000 2.072 21 E HA -0.134 4.217 4.350 0.003 0.000 0.191 21 E C 2.008 178.597 176.600 -0.018 0.000 0.985 21 E CA 1.175 57.565 56.400 -0.017 0.000 0.801 21 E CB 0.029 29.725 29.700 -0.006 0.000 0.750 21 E HN 0.104 nan 8.360 nan 0.000 0.452 22 V N 1.649 121.569 119.914 0.010 0.000 2.295 22 V HA -0.250 3.871 4.120 0.003 0.000 0.246 22 V C 2.348 178.448 176.094 0.010 0.000 1.049 22 V CA 1.553 63.874 62.300 0.035 0.000 1.024 22 V CB -0.400 31.499 31.823 0.126 0.000 0.648 22 V HN 0.242 nan 8.190 nan 0.000 0.447 23 L N 1.093 122.314 121.223 -0.004 0.000 2.012 23 L HA -0.134 4.208 4.340 0.003 0.000 0.210 23 L C 2.429 179.214 176.870 -0.143 0.000 1.073 23 L CA 2.610 57.415 54.840 -0.059 0.000 0.748 23 L CB -1.066 40.885 42.059 -0.180 0.000 0.891 23 L HN 0.214 nan 8.230 nan 0.000 0.431 24 A N -1.282 121.461 122.820 -0.129 0.000 1.908 24 A HA -0.192 4.130 4.320 0.003 0.000 0.218 24 A C 2.374 179.885 177.584 -0.121 0.000 1.181 24 A CA 2.073 54.027 52.037 -0.138 0.000 0.627 24 A CB -1.019 17.923 19.000 -0.097 0.000 0.818 24 A HN 0.581 nan 8.150 nan 0.000 0.445 25 S N -0.098 115.549 115.700 -0.089 0.000 2.355 25 S HA -0.084 4.388 4.470 0.003 0.000 0.222 25 S C 1.827 176.372 174.600 -0.091 0.000 1.031 25 S CA 1.450 59.600 58.200 -0.083 0.000 0.993 25 S CB -0.479 62.675 63.200 -0.078 0.000 0.859 25 S HN 0.508 nan 8.310 nan 0.000 0.453 26 L N 1.062 122.237 121.223 -0.080 0.000 2.083 26 L HA -0.103 4.239 4.340 0.003 0.000 0.209 26 L C 2.735 179.594 176.870 -0.017 0.000 1.083 26 L CA 1.037 55.867 54.840 -0.016 0.000 0.752 26 L CB -0.440 41.701 42.059 0.136 0.000 0.899 26 L HN 0.174 nan 8.230 nan 0.000 0.433 27 R N 0.790 121.164 120.500 -0.209 0.000 2.115 27 R HA -0.126 4.216 4.340 0.003 0.000 0.230 27 R C 1.467 177.664 176.300 -0.172 0.000 1.111 27 R CA 1.238 57.126 56.100 -0.353 0.000 0.976 27 R CB -0.362 29.649 30.300 -0.483 0.000 0.870 27 R HN 0.617 nan 8.270 nan 0.000 0.445 28 E N -0.182 119.943 120.200 -0.124 0.000 2.437 28 E HA 0.143 4.495 4.350 0.003 0.000 0.195 28 E C 0.257 176.822 176.600 -0.058 0.000 1.029 28 E CA 0.179 56.528 56.400 -0.084 0.000 0.948 28 E CB 0.102 29.755 29.700 -0.078 0.000 1.082 28 E HN 0.160 nan 8.360 nan 0.000 0.456 29 G N 2.538 111.308 108.800 -0.050 0.000 2.421 29 G HA2 -0.370 3.592 3.960 0.003 0.000 0.300 29 G HA3 -0.370 3.592 3.960 0.003 0.000 0.300 29 G C -0.024 174.850 174.900 -0.044 0.000 0.974 29 G CA 0.781 45.857 45.100 -0.040 0.000 1.062 29 G HN 0.408 nan 8.290 nan 0.000 0.514 30 R N -0.111 120.357 120.500 -0.054 0.000 2.357 30 R HA 0.480 4.822 4.340 0.003 0.000 0.296 30 R C 0.584 176.858 176.300 -0.044 0.000 1.052 30 R CA 0.051 56.124 56.100 -0.044 0.000 0.988 30 R CB 0.679 30.951 30.300 -0.046 0.000 1.025 30 R HN 0.261 nan 8.270 nan 0.000 0.469 31 S N 1.650 117.335 115.700 -0.025 0.000 2.537 31 S HA 0.301 4.772 4.470 0.003 0.000 0.275 31 S C 0.808 175.406 174.600 -0.004 0.000 1.272 31 S CA -0.399 57.792 58.200 -0.016 0.000 1.050 31 S CB 1.423 64.623 63.200 0.001 0.000 0.961 31 S HN 0.779 nan 8.310 nan 0.000 0.496 32 G N 3.929 112.727 108.800 -0.003 0.000 3.233 32 G HA2 0.215 4.177 3.960 0.003 0.000 0.234 32 G HA3 0.215 4.177 3.960 0.003 0.000 0.234 32 G C 0.175 175.103 174.900 0.048 0.000 1.137 32 G CA -0.236 44.868 45.100 0.007 0.000 0.763 32 G HN 0.628 nan 8.290 nan 0.000 0.549 33 I N 2.783 123.396 120.570 0.071 0.000 2.416 33 I HA 0.328 4.500 4.170 0.003 0.000 0.288 33 I C 0.781 177.002 176.117 0.173 0.000 1.051 33 I CA -0.212 61.167 61.300 0.132 0.000 1.375 33 I CB 0.241 38.310 38.000 0.115 0.000 1.407 33 I HN 0.080 nan 8.210 nan 0.000 0.516 34 T N 3.021 117.738 114.554 0.272 0.000 2.831 34 T HA 0.571 4.923 4.350 0.003 0.000 0.287 34 T C -0.550 174.338 174.700 0.313 0.000 1.070 34 T CA -0.740 61.531 62.100 0.284 0.000 1.010 34 T CB 1.777 70.820 68.868 0.292 0.000 1.264 34 T HN 0.204 nan 8.240 nan 0.000 0.532 35 F N 1.346 121.358 119.950 0.103 0.000 2.384 35 F HA 0.638 5.167 4.527 0.003 0.000 0.338 35 F C 0.251 175.973 175.800 -0.130 0.000 1.103 35 F CA -0.423 57.576 58.000 -0.001 0.000 1.157 35 F CB 1.276 40.281 39.000 0.009 0.000 1.167 35 F HN 0.670 nan 8.300 nan 0.000 0.529 36 S N 4.626 119.557 115.700 -1.281 0.000 2.530 36 S HA 0.197 4.669 4.470 0.003 0.000 0.322 36 S C 0.466 174.176 174.600 -1.482 0.000 1.085 36 S CA -0.625 56.690 58.200 -1.476 0.000 1.096 36 S CB 1.362 63.105 63.200 -2.429 0.000 0.988 36 S HN 0.877 nan 8.310 nan 0.000 0.466 37 Q N 3.296 122.532 119.800 -0.940 0.000 2.230 37 Q HA -0.022 4.320 4.340 0.003 0.000 0.202 37 Q C 1.722 177.450 176.000 -0.452 0.000 0.963 37 Q CA 1.896 57.364 55.803 -0.559 0.000 0.866 37 Q CB -0.065 28.581 28.738 -0.153 0.000 0.931 37 Q HN 0.907 nan 8.270 nan 0.000 0.452 38 E N -0.661 119.261 120.200 -0.462 0.000 2.072 38 E HA -0.151 4.201 4.350 0.003 0.000 0.191 38 E C 1.696 178.101 176.600 -0.325 0.000 0.985 38 E CA 0.929 57.156 56.400 -0.288 0.000 0.801 38 E CB -0.072 29.578 29.700 -0.083 0.000 0.750 38 E HN 0.431 nan 8.360 nan 0.000 0.452 39 L N 0.818 121.740 121.223 -0.503 0.000 2.027 39 L HA -0.139 4.202 4.340 0.003 0.000 0.206 39 L C 2.880 179.577 176.870 -0.288 0.000 1.074 39 L CA 1.369 56.033 54.840 -0.293 0.000 0.745 39 L CB -0.534 41.333 42.059 -0.320 0.000 0.898 39 L HN 0.143 nan 8.230 nan 0.000 0.433 40 K N 0.250 120.330 120.400 -0.534 0.000 2.057 40 K HA -0.218 4.104 4.320 0.003 0.000 0.207 40 K C 1.578 177.934 176.600 -0.406 0.000 1.049 40 K CA 1.815 57.650 56.287 -0.754 0.000 0.931 40 K CB -0.016 31.888 32.500 -0.993 0.000 0.714 40 K HN 0.224 nan 8.250 nan 0.000 0.440 41 D N 0.203 120.398 120.400 -0.343 0.000 2.264 41 D HA -0.109 4.533 4.640 0.003 0.000 0.208 41 D C 1.854 177.974 176.300 -0.301 0.000 0.966 41 D CA 1.313 55.152 54.000 -0.268 0.000 0.864 41 D CB -0.004 40.654 40.800 -0.237 0.000 0.933 41 D HN 0.350 nan 8.370 nan 0.000 0.499 42 S N -0.888 114.605 115.700 -0.344 0.000 2.522 42 S HA 0.145 4.617 4.470 0.003 0.000 0.227 42 S C 1.701 176.154 174.600 -0.246 0.000 0.986 42 S CA 1.098 59.030 58.200 -0.447 0.000 0.929 42 S CB 0.308 63.229 63.200 -0.465 0.000 0.769 42 S HN 0.293 nan 8.310 nan 0.000 0.529 43 G N 0.406 109.119 108.800 -0.144 0.000 2.179 43 G HA2 -0.208 3.754 3.960 0.003 0.000 0.220 43 G HA3 -0.208 3.754 3.960 0.003 0.000 0.220 43 G C 0.050 174.967 174.900 0.028 0.000 0.990 43 G CA 0.060 45.126 45.100 -0.056 0.000 0.646 43 G HN 0.483 nan 8.290 nan 0.000 0.517 44 M N -0.356 119.279 119.600 0.058 0.000 2.167 44 M HA 0.398 4.879 4.480 0.003 0.000 0.300 44 M C 1.872 178.277 176.300 0.176 0.000 1.171 44 M CA 0.259 55.629 55.300 0.117 0.000 1.171 44 M CB 0.447 33.126 32.600 0.131 0.000 1.396 44 M HN 0.173 nan 8.290 nan 0.000 0.466 45 R N -0.493 120.046 120.500 0.065 0.000 2.206 45 R HA 0.117 4.458 4.340 0.003 0.000 0.198 45 R C 0.447 176.592 176.300 -0.258 0.000 0.986 45 R CA 0.146 56.203 56.100 -0.073 0.000 1.029 45 R CB 0.275 30.542 30.300 -0.054 0.000 0.966 45 R HN 0.568 nan 8.270 nan 0.000 0.487 46 S N 0.625 116.276 115.700 -0.081 0.000 2.439 46 S HA 0.109 4.580 4.470 0.003 0.000 0.282 46 S C -0.077 174.548 174.600 0.042 0.000 1.170 46 S CA -0.491 57.669 58.200 -0.068 0.000 1.054 46 S CB 0.236 63.428 63.200 -0.013 0.000 0.956 46 S HN 0.347 nan 8.310 nan 0.000 0.490 47 H N 2.877 121.924 119.070 -0.039 0.000 2.512 47 H HA 0.321 4.879 4.556 0.003 0.000 0.276 47 H C 0.033 175.219 175.328 -0.235 0.000 1.126 47 H CA -0.616 55.330 56.048 -0.171 0.000 1.060 47 H CB 0.573 30.327 29.762 -0.013 0.000 1.646 47 H HN 0.475 nan 8.280 nan 0.000 0.571 48 V N -1.702 118.213 119.914 0.002 0.000 2.960 48 V HA 0.649 4.771 4.120 0.003 0.000 0.315 48 V C -1.267 174.928 176.094 0.168 0.000 1.087 48 V CA -0.925 61.406 62.300 0.051 0.000 0.982 48 V CB 2.234 34.151 31.823 0.156 0.000 1.039 48 V HN 0.401 nan 8.190 nan 0.000 0.437 49 W N 0.703 122.036 121.300 0.055 0.000 3.153 49 W HA 0.765 5.426 4.660 0.003 0.000 0.316 49 W C -0.390 176.157 176.519 0.046 0.000 1.255 49 W CA -1.583 55.792 57.345 0.050 0.000 1.192 49 W CB 0.764 30.247 29.460 0.039 0.000 1.400 49 W HN 1.044 nan 8.180 nan 0.000 0.568 50 G N 2.191 111.095 108.800 0.174 0.000 2.857 50 G HA2 0.392 4.353 3.960 0.003 0.000 0.326 50 G HA3 0.392 4.353 3.960 0.003 0.000 0.326 50 G C -0.411 174.363 174.900 -0.209 0.000 0.950 50 G CA -0.717 44.389 45.100 0.010 0.000 1.400 50 G HN 0.625 nan 8.290 nan 0.000 0.473 51 N N 0.228 118.714 118.700 -0.356 0.000 2.508 51 N HA 0.444 5.185 4.740 0.003 0.000 0.285 51 N C -0.269 175.065 175.510 -0.294 0.000 1.144 51 N CA -0.910 51.823 53.050 -0.529 0.000 0.978 51 N CB 2.000 40.024 38.487 -0.773 0.000 1.180 51 N HN -0.006 nan 8.380 nan 0.000 0.484 52 V N 1.178 120.901 119.914 -0.318 0.000 2.572 52 V HA 0.025 4.146 4.120 0.003 0.000 0.291 52 V C 0.316 176.339 176.094 -0.119 0.000 1.039 52 V CA -0.000 62.151 62.300 -0.247 0.000 1.055 52 V CB 0.592 32.183 31.823 -0.387 0.000 0.969 52 V HN 0.723 nan 8.190 nan 0.000 0.482 53 K N 4.970 125.329 120.400 -0.069 0.000 2.778 53 K HA 0.513 4.834 4.320 0.003 0.000 0.238 53 K C -0.893 175.708 176.600 0.001 0.000 1.233 53 K CA -0.002 56.274 56.287 -0.019 0.000 1.195 53 K CB 0.240 32.737 32.500 -0.005 0.000 1.743 53 K HN 0.469 nan 8.250 nan 0.000 0.418 54 L N 0.020 121.252 121.223 0.016 0.000 2.505 54 L HA 0.413 4.755 4.340 0.003 0.000 0.266 54 L C -1.649 175.255 176.870 0.058 0.000 0.954 54 L CA -0.617 54.247 54.840 0.039 0.000 0.852 54 L CB 1.956 44.043 42.059 0.048 0.000 1.282 54 L HN 0.071 nan 8.230 nan 0.000 0.403 55 D N 2.112 122.540 120.400 0.046 0.000 2.336 55 D HA 0.220 4.861 4.640 0.003 0.000 0.249 55 D C 1.087 177.413 176.300 0.042 0.000 1.213 55 D CA 0.587 54.612 54.000 0.042 0.000 0.870 55 D CB 1.408 42.226 40.800 0.030 0.000 1.076 55 D HN 0.740 nan 8.370 nan 0.000 0.483 56 T N -0.163 114.417 114.554 0.044 0.000 3.067 56 T HA -0.019 4.333 4.350 0.003 0.000 0.261 56 T C 0.950 175.648 174.700 -0.004 0.000 1.110 56 T CA -0.069 62.049 62.100 0.030 0.000 1.113 56 T CB -0.447 68.433 68.868 0.021 0.000 0.917 56 T HN 0.306 nan 8.240 nan 0.000 0.499 57 T N 2.434 116.983 114.554 -0.008 0.000 2.819 57 T HA 0.330 4.682 4.350 0.003 0.000 0.282 57 T C 1.572 176.258 174.700 -0.024 0.000 1.013 57 T CA 1.114 63.200 62.100 -0.024 0.000 1.159 57 T CB -0.294 68.566 68.868 -0.014 0.000 1.007 57 T HN 0.815 nan 8.240 nan 0.000 0.514 58 G N 2.683 111.457 108.800 -0.043 0.000 2.189 58 G HA2 -0.283 3.679 3.960 0.003 0.000 0.267 58 G HA3 -0.283 3.679 3.960 0.003 0.000 0.267 58 G C 0.803 175.684 174.900 -0.031 0.000 0.975 58 G CA 0.389 45.465 45.100 -0.040 0.000 0.644 58 G HN 0.711 nan 8.290 nan 0.000 0.537 59 L N -0.310 120.898 121.223 -0.025 0.000 2.599 59 L HA 0.407 4.749 4.340 0.003 0.000 0.230 59 L C 1.026 177.887 176.870 -0.015 0.000 1.141 59 L CA 0.587 55.428 54.840 0.002 0.000 0.877 59 L CB -0.083 41.997 42.059 0.034 0.000 1.009 59 L HN 0.297 nan 8.230 nan 0.000 0.447 60 I N -1.448 119.066 120.570 -0.093 0.000 2.722 60 I HA 0.199 4.371 4.170 0.003 0.000 0.295 60 I C -0.645 175.360 176.117 -0.186 0.000 1.161 60 I CA -0.962 60.223 61.300 -0.193 0.000 1.032 60 I CB 2.512 40.269 38.000 -0.404 0.000 1.244 60 I HN -0.154 nan 8.210 nan 0.000 0.421 61 D N 4.392 124.685 120.400 -0.179 0.000 2.506 61 D HA -0.030 4.612 4.640 0.003 0.000 0.234 61 D C 1.216 177.411 176.300 -0.176 0.000 1.143 61 D CA 0.225 54.140 54.000 -0.142 0.000 0.871 61 D CB 0.961 41.690 40.800 -0.118 0.000 1.190 61 D HN 0.589 nan 8.370 nan 0.000 0.459 62 R N 2.017 122.428 120.500 -0.148 0.000 2.148 62 R HA -0.076 4.266 4.340 0.003 0.000 0.227 62 R C 1.071 177.242 176.300 -0.214 0.000 1.103 62 R CA 0.599 56.589 56.100 -0.183 0.000 0.983 62 R CB -0.009 30.201 30.300 -0.150 0.000 0.874 62 R HN 0.171 nan 8.270 nan 0.000 0.451 63 K N 0.912 121.224 120.400 -0.147 0.000 2.288 63 K HA 0.022 4.344 4.320 0.003 0.000 0.201 63 K C 1.877 178.440 176.600 -0.063 0.000 1.048 63 K CA 0.795 57.019 56.287 -0.105 0.000 0.956 63 K CB 0.235 32.720 32.500 -0.025 0.000 0.746 63 K HN 0.159 nan 8.250 nan 0.000 0.461 64 V N 0.025 119.871 119.914 -0.114 0.000 2.795 64 V HA -0.013 4.109 4.120 0.003 0.000 0.243 64 V C 2.071 178.048 176.094 -0.196 0.000 1.069 64 V CA 0.499 62.741 62.300 -0.098 0.000 1.089 64 V CB 0.315 32.013 31.823 -0.210 0.000 0.756 64 V HN -0.043 nan 8.190 nan 0.000 0.471 65 V N 2.367 122.104 119.914 -0.295 0.000 2.809 65 V HA -0.140 3.981 4.120 0.003 0.000 0.256 65 V C 2.714 178.587 176.094 -0.367 0.000 1.080 65 V CA 1.867 63.972 62.300 -0.326 0.000 1.102 65 V CB -0.532 31.107 31.823 -0.308 0.000 0.705 65 V HN 0.710 nan 8.190 nan 0.000 0.475 66 R N -1.049 119.150 120.500 -0.502 0.000 2.241 66 R HA -0.101 4.241 4.340 0.003 0.000 0.224 66 R C 1.732 177.500 176.300 -0.887 0.000 1.101 66 R CA 1.963 57.559 56.100 -0.841 0.000 0.995 66 R CB -0.628 28.908 30.300 -1.274 0.000 0.870 66 R HN 0.509 nan 8.270 nan 0.000 0.463 67 F N 0.738 120.484 119.950 -0.340 0.000 2.749 67 F HA 0.343 4.872 4.527 0.003 0.000 0.300 67 F C 0.920 176.590 175.800 -0.217 0.000 1.103 67 F CA -0.428 57.470 58.000 -0.170 0.000 1.342 67 F CB 0.285 39.245 39.000 -0.067 0.000 1.098 67 F HN -0.116 nan 8.300 nan 0.000 0.586 68 M N -0.323 119.186 119.600 -0.151 0.000 2.444 68 M HA 0.347 4.828 4.480 0.003 0.000 0.319 68 M C 0.365 176.474 176.300 -0.319 0.000 1.183 68 M CA -0.598 54.590 55.300 -0.186 0.000 1.032 68 M CB 1.569 34.062 32.600 -0.178 0.000 1.569 68 M HN -0.058 nan 8.290 nan 0.000 0.468 69 S N -1.024 114.546 115.700 -0.218 0.000 2.766 69 S HA 0.388 4.860 4.470 0.003 0.000 0.307 69 S C 0.233 174.761 174.600 -0.120 0.000 1.121 69 S CA -0.897 57.218 58.200 -0.141 0.000 0.980 69 S CB 1.126 64.340 63.200 0.024 0.000 1.159 69 S HN 0.668 nan 8.310 nan 0.000 0.546 70 D N 1.066 121.410 120.400 -0.094 0.000 2.123 70 D HA -0.080 4.562 4.640 0.003 0.000 0.196 70 D C 2.203 178.220 176.300 -0.473 0.000 0.992 70 D CA 1.775 55.525 54.000 -0.417 0.000 0.833 70 D CB -0.872 39.696 40.800 -0.388 0.000 0.954 70 D HN 0.667 nan 8.370 nan 0.000 0.455 71 A N 0.859 123.608 122.820 -0.118 0.000 1.892 71 A HA -0.218 4.104 4.320 0.003 0.000 0.218 71 A C 2.489 180.082 177.584 0.015 0.000 1.188 71 A CA 2.293 54.349 52.037 0.031 0.000 0.631 71 A CB -0.667 18.380 19.000 0.078 0.000 0.822 71 A HN 0.215 nan 8.150 nan 0.000 0.447 72 S N -0.202 115.488 115.700 -0.017 0.000 2.383 72 S HA -0.089 4.383 4.470 0.003 0.000 0.227 72 S C 1.808 176.432 174.600 0.040 0.000 1.026 72 S CA 1.377 59.597 58.200 0.032 0.000 0.981 72 S CB -0.521 62.685 63.200 0.009 0.000 0.818 72 S HN 0.536 nan 8.310 nan 0.000 0.472 73 I N 0.515 121.019 120.570 -0.109 0.000 2.127 73 I HA -0.240 3.932 4.170 0.003 0.000 0.241 73 I C 2.175 178.324 176.117 0.053 0.000 1.075 73 I CA 1.491 62.725 61.300 -0.110 0.000 1.334 73 I CB -0.543 37.288 38.000 -0.283 0.000 1.040 73 I HN 0.242 nan 8.210 nan 0.000 0.405 74 Y N 0.915 121.260 120.300 0.075 0.000 2.128 74 Y HA -0.229 4.322 4.550 0.003 0.000 0.284 74 Y C 2.679 178.625 175.900 0.077 0.000 1.154 74 Y CA 0.921 59.058 58.100 0.062 0.000 1.149 74 Y CB -1.403 37.072 38.460 0.026 0.000 0.976 74 Y HN 0.139 nan 8.280 nan 0.000 0.505 75 A N -0.494 122.466 122.820 0.233 0.000 1.898 75 A HA -0.197 4.125 4.320 0.003 0.000 0.216 75 A C 2.212 179.888 177.584 0.153 0.000 1.181 75 A CA 1.349 53.475 52.037 0.148 0.000 0.620 75 A CB -1.370 17.702 19.000 0.119 0.000 0.819 75 A HN 0.458 nan 8.150 nan 0.000 0.442 76 F N 0.514 120.514 119.950 0.083 0.000 2.134 76 F HA -0.158 4.371 4.527 0.003 0.000 0.299 76 F C 1.896 177.780 175.800 0.141 0.000 1.097 76 F CA 1.815 59.899 58.000 0.140 0.000 1.264 76 F CB -0.138 38.915 39.000 0.089 0.000 1.001 76 F HN 0.145 nan 8.300 nan 0.000 0.479 77 L N -0.784 120.652 121.223 0.355 0.000 2.093 77 L HA -0.199 4.143 4.340 0.003 0.000 0.208 77 L C 2.466 179.381 176.870 0.075 0.000 1.085 77 L CA 1.280 56.262 54.840 0.236 0.000 0.755 77 L CB -0.830 41.367 42.059 0.230 0.000 0.904 77 L HN 0.040 nan 8.230 nan 0.000 0.435 78 S N -0.363 115.368 115.700 0.052 0.000 2.382 78 S HA -0.209 4.263 4.470 0.003 0.000 0.228 78 S C 1.924 176.454 174.600 -0.116 0.000 1.027 78 S CA 1.461 59.650 58.200 -0.019 0.000 0.991 78 S CB -0.229 62.963 63.200 -0.013 0.000 0.823 78 S HN 0.350 nan 8.310 nan 0.000 0.469 79 M N 1.428 120.898 119.600 -0.216 0.000 2.175 79 M HA -0.094 4.388 4.480 0.003 0.000 0.264 79 M C 2.001 177.994 176.300 -0.510 0.000 1.063 79 M CA 1.376 56.389 55.300 -0.479 0.000 1.119 79 M CB -0.119 32.005 32.600 -0.793 0.000 1.377 79 M HN 0.236 nan 8.290 nan 0.000 0.415 80 E N -0.171 119.843 120.200 -0.309 0.000 2.051 80 E HA -0.264 4.087 4.350 0.003 0.000 0.192 80 E C 2.027 178.566 176.600 -0.102 0.000 0.991 80 E CA 1.757 58.071 56.400 -0.143 0.000 0.799 80 E CB -0.191 29.512 29.700 0.005 0.000 0.748 80 E HN 0.674 nan 8.360 nan 0.000 0.449 81 Q N 0.225 119.986 119.800 -0.066 0.000 2.050 81 Q HA -0.145 4.197 4.340 0.003 0.000 0.202 81 Q C 2.211 178.185 176.000 -0.043 0.000 0.980 81 Q CA 1.420 57.206 55.803 -0.028 0.000 0.840 81 Q CB -0.204 28.529 28.738 -0.008 0.000 0.898 81 Q HN 0.226 nan 8.270 nan 0.000 0.424 82 A N 0.875 123.644 122.820 -0.086 0.000 1.940 82 A HA -0.183 4.139 4.320 0.003 0.000 0.219 82 A C 2.046 179.597 177.584 -0.055 0.000 1.176 82 A CA 1.219 53.220 52.037 -0.059 0.000 0.631 82 A CB -0.641 18.314 19.000 -0.075 0.000 0.814 82 A HN 0.327 nan 8.150 nan 0.000 0.446 83 I N -0.576 119.891 120.570 -0.173 0.000 2.315 83 I HA -0.243 3.929 4.170 0.003 0.000 0.248 83 I C 2.885 178.962 176.117 -0.067 0.000 1.117 83 I CA 0.982 62.167 61.300 -0.192 0.000 1.404 83 I CB -0.236 37.517 38.000 -0.412 0.000 1.071 83 I HN 0.375 nan 8.210 nan 0.000 0.419 84 A N 0.139 122.937 122.820 -0.037 0.000 1.898 84 A HA -0.234 4.088 4.320 0.003 0.000 0.214 84 A C 1.981 179.584 177.584 0.032 0.000 1.183 84 A CA 1.844 53.887 52.037 0.010 0.000 0.622 84 A CB -0.549 18.461 19.000 0.017 0.000 0.824 84 A HN 0.384 nan 8.150 nan 0.000 0.444 85 D N -0.007 120.420 120.400 0.045 0.000 2.178 85 D HA -0.012 4.629 4.640 0.003 0.000 0.201 85 D C 1.846 178.215 176.300 0.115 0.000 0.980 85 D CA 1.417 55.474 54.000 0.094 0.000 0.842 85 D CB -0.111 40.774 40.800 0.141 0.000 0.948 85 D HN 0.330 nan 8.370 nan 0.000 0.472 86 A N -0.744 122.130 122.820 0.089 0.000 2.072 86 A HA 0.386 4.708 4.320 0.003 0.000 0.216 86 A C 1.841 179.463 177.584 0.063 0.000 1.156 86 A CA 1.108 53.196 52.037 0.085 0.000 0.701 86 A CB -0.447 18.586 19.000 0.054 0.000 0.816 86 A HN 0.487 nan 8.150 nan 0.000 0.458 87 G N -1.081 107.750 108.800 0.052 0.000 2.171 87 G HA2 -0.179 3.782 3.960 0.003 0.000 0.238 87 G HA3 -0.179 3.782 3.960 0.003 0.000 0.238 87 G C -0.130 174.811 174.900 0.069 0.000 1.039 87 G CA 0.201 45.332 45.100 0.052 0.000 0.759 87 G HN 0.435 nan 8.290 nan 0.000 0.501 88 L N 1.768 123.035 121.223 0.072 0.000 2.276 88 L HA 0.588 4.930 4.340 0.003 0.000 0.286 88 L C 1.117 178.123 176.870 0.226 0.000 1.061 88 L CA -0.206 54.715 54.840 0.134 0.000 0.807 88 L CB 1.596 43.701 42.059 0.076 0.000 1.177 88 L HN 0.425 nan 8.230 nan 0.000 0.429 89 S N 2.547 118.395 115.700 0.248 0.000 2.654 89 S HA 0.473 4.945 4.470 0.003 0.000 0.283 89 S C -2.020 172.743 174.600 0.271 0.000 1.180 89 S CA -1.348 56.986 58.200 0.224 0.000 1.021 89 S CB 1.728 64.998 63.200 0.117 0.000 1.018 89 S HN 0.332 nan 8.310 nan 0.000 0.532 90 P HA -0.171 nan 4.420 nan 0.000 0.215 90 P C 1.468 178.623 177.300 -0.242 0.000 1.153 90 P CA 1.368 64.313 63.100 -0.258 0.000 0.853 90 P CB -0.093 31.526 31.700 -0.135 0.000 0.788 91 E N -0.113 120.039 120.200 -0.079 0.000 2.267 91 E HA -0.155 4.196 4.350 0.003 0.000 0.197 91 E C 1.622 178.206 176.600 -0.027 0.000 0.998 91 E CA 1.676 58.042 56.400 -0.057 0.000 0.830 91 E CB -0.966 28.723 29.700 -0.017 0.000 0.751 91 E HN 0.245 nan 8.360 nan 0.000 0.491 92 A N 0.460 123.297 122.820 0.029 0.000 2.115 92 A HA 0.077 4.399 4.320 0.003 0.000 0.211 92 A C 1.594 179.269 177.584 0.151 0.000 1.169 92 A CA 0.477 52.572 52.037 0.097 0.000 0.787 92 A CB -0.271 18.815 19.000 0.144 0.000 0.858 92 A HN 0.426 nan 8.150 nan 0.000 0.474 93 Y N -1.339 119.002 120.300 0.068 0.000 2.426 93 Y HA 0.455 5.007 4.550 0.003 0.000 0.249 93 Y C 0.493 176.428 175.900 0.059 0.000 1.103 93 Y CA -0.622 57.530 58.100 0.087 0.000 1.256 93 Y CB -0.085 38.480 38.460 0.175 0.000 1.208 93 Y HN 0.168 nan 8.280 nan 0.000 0.519 94 Q N 1.861 121.325 119.800 -0.559 0.000 2.230 94 Q HA 0.231 4.573 4.340 0.003 0.000 0.248 94 Q C -0.186 175.622 176.000 -0.320 0.000 0.915 94 Q CA -0.568 54.967 55.803 -0.447 0.000 0.900 94 Q CB 0.618 29.052 28.738 -0.507 0.000 1.229 94 Q HN 0.352 nan 8.270 nan 0.000 0.439 95 N N 1.664 120.061 118.700 -0.505 0.000 2.721 95 N HA -0.199 4.542 4.740 0.003 0.000 0.249 95 N C -1.022 174.325 175.510 -0.271 0.000 1.072 95 N CA 0.654 53.228 53.050 -0.794 0.000 0.710 95 N CB -0.892 37.378 38.487 -0.362 0.000 0.993 95 N HN 0.570 nan 8.380 nan 0.000 0.547 96 N N 0.418 119.029 118.700 -0.147 0.000 2.476 96 N HA 0.295 5.036 4.740 0.003 0.000 0.257 96 N C -1.854 173.714 175.510 0.096 0.000 0.970 96 N CA -1.921 51.140 53.050 0.017 0.000 0.938 96 N CB 1.517 40.018 38.487 0.024 0.000 1.144 96 N HN -0.140 nan 8.380 nan 0.000 0.500 97 P HA -0.019 nan 4.420 nan 0.000 0.221 97 P C 0.464 177.801 177.300 0.063 0.000 1.145 97 P CA 1.058 64.227 63.100 0.115 0.000 0.795 97 P CB 0.327 32.078 31.700 0.085 0.000 0.775 98 R N -0.899 119.624 120.500 0.038 0.000 2.388 98 R HA 0.195 4.536 4.340 0.003 0.000 0.247 98 R C -0.349 175.923 176.300 -0.046 0.000 0.931 98 R CA 0.072 56.169 56.100 -0.006 0.000 1.082 98 R CB 0.353 30.646 30.300 -0.012 0.000 1.135 98 R HN 0.086 nan 8.270 nan 0.000 0.525 99 V N 0.362 120.274 119.914 -0.002 0.000 2.444 99 V HA 0.587 4.709 4.120 0.003 0.000 0.294 99 V C 0.358 176.477 176.094 0.040 0.000 1.022 99 V CA -0.809 61.485 62.300 -0.010 0.000 0.850 99 V CB 1.606 33.481 31.823 0.086 0.000 0.992 99 V HN 0.291 nan 8.190 nan 0.000 0.426 100 G N 3.106 111.896 108.800 -0.016 0.000 3.015 100 G HA2 0.831 4.793 3.960 0.003 0.000 0.281 100 G HA3 0.831 4.793 3.960 0.003 0.000 0.281 100 G C -1.847 173.075 174.900 0.038 0.000 1.386 100 G CA -0.796 44.310 45.100 0.010 0.000 0.959 100 G HN 0.697 nan 8.290 nan 0.000 0.522 101 L N -0.248 120.970 121.223 -0.008 0.000 2.436 101 L HA 0.758 5.100 4.340 0.003 0.000 0.268 101 L C -1.430 175.355 176.870 -0.141 0.000 0.974 101 L CA -0.758 54.085 54.840 0.005 0.000 0.826 101 L CB 1.804 43.902 42.059 0.065 0.000 1.291 101 L HN 0.434 nan 8.230 nan 0.000 0.406 102 I N 5.214 125.707 120.570 -0.128 0.000 2.468 102 I HA 0.819 4.991 4.170 0.003 0.000 0.285 102 I C -0.627 175.460 176.117 -0.049 0.000 1.039 102 I CA -0.390 60.807 61.300 -0.171 0.000 1.074 102 I CB 1.834 39.713 38.000 -0.202 0.000 1.228 102 I HN 0.734 nan 8.210 nan 0.000 0.436 103 A N 4.248 127.067 122.820 -0.001 0.000 2.594 103 A HA 0.914 5.236 4.320 0.003 0.000 0.296 103 A C -0.874 176.745 177.584 0.059 0.000 1.056 103 A CA -0.232 51.821 52.037 0.027 0.000 0.693 103 A CB 1.660 20.670 19.000 0.017 0.000 1.278 103 A HN 0.846 nan 8.150 nan 0.000 0.408 104 G N -0.360 108.479 108.800 0.065 0.000 2.706 104 G HA2 0.872 4.834 3.960 0.003 0.000 0.307 104 G HA3 0.872 4.834 3.960 0.003 0.000 0.307 104 G C -0.476 174.467 174.900 0.072 0.000 1.307 104 G CA 0.340 45.487 45.100 0.078 0.000 0.790 104 G HN 2.048 nan 8.290 nan 0.000 0.503 105 S N -1.899 113.846 115.700 0.076 0.000 2.667 105 S HA 0.691 5.163 4.470 0.003 0.000 0.292 105 S C 1.140 175.784 174.600 0.073 0.000 1.126 105 S CA 0.359 58.603 58.200 0.073 0.000 0.881 105 S CB 1.495 64.743 63.200 0.079 0.000 1.132 105 S HN 1.563 nan 8.310 nan 0.000 0.492 106 G N 0.048 108.888 108.800 0.068 0.000 2.394 106 G HA2 0.279 4.241 3.960 0.003 0.000 0.215 106 G HA3 0.279 4.241 3.960 0.003 0.000 0.215 106 G C 0.926 175.880 174.900 0.089 0.000 1.165 106 G CA 0.499 45.642 45.100 0.073 0.000 0.784 106 G HN 1.216 nan 8.290 nan 0.000 0.535 107 G N -1.397 107.458 108.800 0.093 0.000 3.274 107 G HA2 0.456 4.418 3.960 0.003 0.000 0.250 107 G HA3 0.456 4.418 3.960 0.003 0.000 0.250 107 G C 1.091 176.039 174.900 0.079 0.000 1.024 107 G CA 0.918 46.072 45.100 0.090 0.000 0.840 107 G HN 1.185 nan 8.290 nan 0.000 0.522 108 G N 0.269 109.117 108.800 0.081 0.000 3.377 108 G HA2 -0.199 3.762 3.960 0.003 0.000 0.304 108 G HA3 -0.199 3.762 3.960 0.003 0.000 0.304 108 G C 0.445 175.401 174.900 0.094 0.000 1.366 108 G CA 0.901 46.050 45.100 0.081 0.000 1.020 108 G HN 1.587 nan 8.290 nan 0.000 0.621 109 S N 1.174 116.936 115.700 0.103 0.000 2.548 109 S HA 0.589 5.060 4.470 0.003 0.000 0.168 109 S C -1.786 172.874 174.600 0.101 0.000 1.068 109 S CA 0.449 58.730 58.200 0.133 0.000 1.129 109 S CB 1.443 64.785 63.200 0.237 0.000 1.435 109 S HN 0.249 nan 8.310 nan 0.000 0.410 110 P HA -0.077 nan 4.420 nan 0.000 0.218 110 P C 1.539 178.790 177.300 -0.082 0.000 1.148 110 P CA 0.610 63.694 63.100 -0.028 0.000 0.822 110 P CB 0.137 31.796 31.700 -0.069 0.000 0.784 111 R N -0.466 119.967 120.500 -0.112 0.000 2.088 111 R HA -0.134 4.208 4.340 0.003 0.000 0.232 111 R C 1.886 178.058 176.300 -0.213 0.000 1.136 111 R CA 1.846 57.799 56.100 -0.244 0.000 0.926 111 R CB -1.137 28.952 30.300 -0.351 0.000 0.837 111 R HN 0.066 nan 8.270 nan 0.000 0.429 112 F N 0.570 120.549 119.950 0.049 0.000 2.451 112 F HA -0.076 4.453 4.527 0.003 0.000 0.299 112 F C 2.492 178.396 175.800 0.173 0.000 1.101 112 F CA 0.841 58.919 58.000 0.131 0.000 1.436 112 F CB -0.150 38.890 39.000 0.066 0.000 1.074 112 F HN 0.251 nan 8.300 nan 0.000 0.553 113 Q N 0.396 120.324 119.800 0.212 0.000 2.187 113 Q HA -0.060 4.282 4.340 0.003 0.000 0.199 113 Q C 1.981 178.035 176.000 0.090 0.000 0.957 113 Q CA 1.321 57.211 55.803 0.145 0.000 0.857 113 Q CB -0.358 28.434 28.738 0.090 0.000 0.929 113 Q HN 0.274 nan 8.270 nan 0.000 0.453 114 V N 0.465 120.409 119.914 0.050 0.000 2.488 114 V HA -0.111 4.011 4.120 0.003 0.000 0.246 114 V C 1.927 178.046 176.094 0.042 0.000 1.046 114 V CA 1.408 63.718 62.300 0.015 0.000 1.053 114 V CB -0.746 31.048 31.823 -0.048 0.000 0.679 114 V HN 0.435 nan 8.190 nan 0.000 0.458 115 F N 2.363 122.295 119.950 -0.031 0.000 2.202 115 F HA -0.070 4.459 4.527 0.003 0.000 0.301 115 F C 2.030 177.860 175.800 0.049 0.000 1.082 115 F CA 1.690 59.688 58.000 -0.003 0.000 1.313 115 F CB -0.682 38.297 39.000 -0.034 0.000 1.024 115 F HN 0.122 nan 8.300 nan 0.000 0.495 116 G N -0.157 108.610 108.800 -0.055 0.000 2.404 116 G HA2 -0.154 3.807 3.960 0.003 0.000 0.215 116 G HA3 -0.154 3.807 3.960 0.003 0.000 0.215 116 G C 1.840 176.640 174.900 -0.168 0.000 1.174 116 G CA 0.733 45.755 45.100 -0.129 0.000 0.780 116 G HN 0.603 nan 8.290 nan 0.000 0.537 117 A N 1.149 123.918 122.820 -0.084 0.000 1.902 117 A HA -0.064 4.258 4.320 0.003 0.000 0.217 117 A C 2.088 179.611 177.584 -0.101 0.000 1.181 117 A CA 2.183 54.181 52.037 -0.066 0.000 0.623 117 A CB -0.463 18.522 19.000 -0.024 0.000 0.818 117 A HN 0.274 nan 8.150 nan 0.000 0.443 118 D N -0.093 120.229 120.400 -0.131 0.000 2.144 118 D HA -0.002 4.640 4.640 0.003 0.000 0.200 118 D C 2.183 178.369 176.300 -0.190 0.000 0.978 118 D CA 1.431 55.356 54.000 -0.125 0.000 0.833 118 D CB -0.336 40.415 40.800 -0.083 0.000 0.961 118 D HN 0.432 nan 8.370 nan 0.000 0.470 119 A N 0.539 123.140 122.820 -0.364 0.000 1.872 119 A HA -0.099 4.222 4.320 0.003 0.000 0.214 119 A C 2.105 179.583 177.584 -0.176 0.000 1.187 119 A CA 0.956 52.791 52.037 -0.336 0.000 0.614 119 A CB -0.373 18.272 19.000 -0.591 0.000 0.826 119 A HN 0.060 nan 8.150 nan 0.000 0.442 120 M N -0.193 119.311 119.600 -0.159 0.000 2.202 120 M HA -0.095 4.387 4.480 0.003 0.000 0.262 120 M C 1.965 178.229 176.300 -0.060 0.000 1.063 120 M CA 1.422 56.670 55.300 -0.087 0.000 1.097 120 M CB -1.021 31.539 32.600 -0.067 0.000 1.382 120 M HN 0.389 nan 8.290 nan 0.000 0.413 121 R N -0.663 119.800 120.500 -0.063 0.000 2.307 121 R HA 0.110 4.451 4.340 0.003 0.000 0.199 121 R C 1.102 177.382 176.300 -0.034 0.000 1.000 121 R CA 0.246 56.323 56.100 -0.039 0.000 1.023 121 R CB -0.239 30.042 30.300 -0.032 0.000 0.908 121 R HN 0.320 nan 8.270 nan 0.000 0.473 122 G N 1.127 109.900 108.800 -0.044 0.000 2.528 122 G HA2 0.135 4.097 3.960 0.003 0.000 0.289 122 G HA3 0.135 4.097 3.960 0.003 0.000 0.289 122 G C -1.523 173.364 174.900 -0.022 0.000 1.192 122 G CA -1.118 43.963 45.100 -0.031 0.000 0.921 122 G HN -0.074 nan 8.290 nan 0.000 0.512 123 P HA -0.100 nan 4.420 nan 0.000 0.223 123 P C 1.349 178.645 177.300 -0.007 0.000 1.144 123 P CA 0.645 63.740 63.100 -0.008 0.000 0.783 123 P CB 0.319 32.017 31.700 -0.003 0.000 0.771 124 R N -0.616 119.879 120.500 -0.009 0.000 2.153 124 R HA 0.097 4.439 4.340 0.003 0.000 0.218 124 R C 1.900 178.194 176.300 -0.010 0.000 1.072 124 R CA 1.019 57.117 56.100 -0.005 0.000 0.990 124 R CB -1.178 29.123 30.300 0.002 0.000 0.889 124 R HN 0.267 nan 8.270 nan 0.000 0.452 125 G N 1.424 110.211 108.800 -0.022 0.000 2.591 125 G HA2 -0.377 3.585 3.960 0.003 0.000 0.298 125 G HA3 -0.377 3.585 3.960 0.003 0.000 0.298 125 G C 0.973 175.858 174.900 -0.024 0.000 1.195 125 G CA 0.425 45.510 45.100 -0.025 0.000 0.989 125 G HN 0.262 nan 8.290 nan 0.000 0.551 126 L N 0.965 122.180 121.223 -0.013 0.000 2.079 126 L HA -0.114 4.228 4.340 0.003 0.000 0.210 126 L C 3.118 179.992 176.870 0.005 0.000 1.081 126 L CA 2.033 56.870 54.840 -0.006 0.000 0.752 126 L CB -0.548 41.508 42.059 -0.004 0.000 0.896 126 L HN 0.426 nan 8.230 nan 0.000 0.433 127 K N 0.369 120.773 120.400 0.007 0.000 2.063 127 K HA -0.141 4.181 4.320 0.003 0.000 0.208 127 K C 2.197 178.820 176.600 0.038 0.000 1.048 127 K CA 1.591 57.889 56.287 0.019 0.000 0.928 127 K CB -0.540 31.970 32.500 0.016 0.000 0.713 127 K HN 0.313 nan 8.250 nan 0.000 0.442 128 A N 1.242 124.076 122.820 0.023 0.000 1.930 128 A HA -0.089 4.233 4.320 0.003 0.000 0.217 128 A C 2.552 180.174 177.584 0.063 0.000 1.175 128 A CA 1.359 53.415 52.037 0.033 0.000 0.627 128 A CB -0.568 18.416 19.000 -0.027 0.000 0.815 128 A HN 0.056 nan 8.150 nan 0.000 0.443 129 V N -0.667 119.257 119.914 0.015 0.000 2.237 129 V HA 0.229 4.350 4.120 0.003 0.000 0.245 129 V C 1.599 177.842 176.094 0.248 0.000 1.046 129 V CA 1.344 63.687 62.300 0.070 0.000 1.007 129 V CB -1.893 29.946 31.823 0.026 0.000 0.638 129 V HN 1.358 nan 8.190 nan 0.000 0.445 130 G N 0.146 109.025 108.800 0.132 0.000 2.663 130 G HA2 -0.090 3.872 3.960 0.003 0.000 0.686 130 G HA3 -0.090 3.872 3.960 0.003 0.000 0.686 130 G C -1.932 172.976 174.900 0.014 0.000 1.288 130 G CA -0.111 45.048 45.100 0.098 0.000 0.836 130 G HN 0.300 nan 8.290 nan 0.000 0.584 131 P HA 0.216 nan 4.420 nan 0.000 0.257 131 P C 0.238 177.314 177.300 -0.373 0.000 1.281 131 P CA 0.673 63.606 63.100 -0.278 0.000 0.826 131 P CB 0.011 31.475 31.700 -0.394 0.000 1.237 132 Y N -1.383 118.919 120.300 0.004 0.000 2.481 132 Y HA 0.096 4.647 4.550 0.003 0.000 0.247 132 Y C 2.281 178.177 175.900 -0.006 0.000 1.151 132 Y CA -0.084 57.994 58.100 -0.037 0.000 1.238 132 Y CB -0.290 38.033 38.460 -0.229 0.000 1.179 132 Y HN -0.281 nan 8.280 nan 0.000 0.524 133 V N -1.062 118.952 119.914 0.166 0.000 2.407 133 V HA -0.258 3.864 4.120 0.003 0.000 0.248 133 V C 2.124 178.296 176.094 0.130 0.000 1.055 133 V CA 1.738 64.142 62.300 0.172 0.000 1.049 133 V CB -0.842 31.137 31.823 0.260 0.000 0.662 133 V HN 0.230 nan 8.190 nan 0.000 0.455 134 V N 1.224 121.209 119.914 0.117 0.000 2.332 134 V HA -0.279 3.842 4.120 0.003 0.000 0.248 134 V C 2.705 178.853 176.094 0.089 0.000 1.055 134 V CA 2.611 64.968 62.300 0.095 0.000 1.038 134 V CB -1.373 30.494 31.823 0.074 0.000 0.651 134 V HN 0.823 nan 8.190 nan 0.000 0.450 135 T N -2.529 112.097 114.554 0.119 0.000 3.088 135 T HA -0.040 4.312 4.350 0.003 0.000 0.259 135 T C 1.616 176.345 174.700 0.047 0.000 1.122 135 T CA 0.775 62.932 62.100 0.096 0.000 1.095 135 T CB -0.134 68.828 68.868 0.155 0.000 0.930 135 T HN 0.507 nan 8.240 nan 0.000 0.508 136 K N 1.082 121.480 120.400 -0.003 0.000 2.166 136 K HA 0.388 4.710 4.320 0.003 0.000 0.201 136 K C 2.634 179.248 176.600 0.024 0.000 1.052 136 K CA 0.846 57.066 56.287 -0.112 0.000 0.969 136 K CB -0.114 32.102 32.500 -0.473 0.000 0.761 136 K HN 0.364 nan 8.250 nan 0.000 0.459 137 A N 2.197 125.070 122.820 0.088 0.000 2.072 137 A HA 0.055 4.377 4.320 0.003 0.000 0.216 137 A C 1.312 178.949 177.584 0.089 0.000 1.156 137 A CA 0.057 52.169 52.037 0.125 0.000 0.701 137 A CB -0.503 18.588 19.000 0.152 0.000 0.816 137 A HN 0.332 nan 8.150 nan 0.000 0.458 138 M N -1.767 117.876 119.600 0.071 0.000 2.250 138 M HA 0.485 4.967 4.480 0.003 0.000 0.325 138 M C 0.957 177.294 176.300 0.061 0.000 1.084 138 M CA 0.423 55.759 55.300 0.060 0.000 1.161 138 M CB 0.513 33.144 32.600 0.051 0.000 1.481 138 M HN 0.044 nan 8.290 nan 0.000 0.449 139 A N 1.916 124.771 122.820 0.058 0.000 2.019 139 A HA -0.103 4.219 4.320 0.003 0.000 0.219 139 A C 2.087 179.711 177.584 0.067 0.000 1.164 139 A CA 1.900 53.975 52.037 0.062 0.000 0.644 139 A CB -0.991 18.043 19.000 0.057 0.000 0.805 139 A HN 1.014 nan 8.150 nan 0.000 0.449 140 S N -0.756 114.982 115.700 0.064 0.000 2.593 140 S HA 0.238 4.709 4.470 0.003 0.000 0.217 140 S C 1.776 176.415 174.600 0.066 0.000 0.966 140 S CA 0.663 58.907 58.200 0.073 0.000 0.914 140 S CB -0.594 62.650 63.200 0.074 0.000 0.776 140 S HN 0.658 nan 8.310 nan 0.000 0.523 141 G N 2.690 111.525 108.800 0.058 0.000 2.703 141 G HA2 -0.294 3.668 3.960 0.003 0.000 0.222 141 G HA3 -0.294 3.668 3.960 0.003 0.000 0.222 141 G C 1.338 176.273 174.900 0.058 0.000 1.183 141 G CA 1.577 46.707 45.100 0.051 0.000 0.775 141 G HN 0.503 nan 8.290 nan 0.000 0.615 142 V N 1.703 121.657 119.914 0.067 0.000 2.469 142 V HA -0.216 3.906 4.120 0.003 0.000 0.251 142 V C 3.178 179.322 176.094 0.084 0.000 1.064 142 V CA 2.540 64.887 62.300 0.078 0.000 1.066 142 V CB -0.458 31.412 31.823 0.077 0.000 0.667 142 V HN 0.674 nan 8.190 nan 0.000 0.461 143 S N 0.419 116.165 115.700 0.077 0.000 2.404 143 S HA 0.075 4.547 4.470 0.003 0.000 0.223 143 S C 2.121 176.766 174.600 0.074 0.000 1.040 143 S CA 0.818 59.061 58.200 0.071 0.000 0.957 143 S CB -0.287 62.955 63.200 0.069 0.000 0.826 143 S HN 0.516 nan 8.310 nan 0.000 0.491 144 A N 1.086 123.944 122.820 0.063 0.000 1.902 144 A HA -0.046 4.275 4.320 0.003 0.000 0.217 144 A C 2.340 179.948 177.584 0.039 0.000 1.181 144 A CA 1.499 53.559 52.037 0.039 0.000 0.623 144 A CB -1.489 17.520 19.000 0.013 0.000 0.818 144 A HN 0.677 nan 8.150 nan 0.000 0.443 145 C N -1.235 118.100 119.300 0.057 0.000 2.449 145 C HA 0.117 4.579 4.460 0.003 0.000 0.283 145 C C 2.313 177.404 174.990 0.168 0.000 1.453 145 C CA 0.794 59.857 59.018 0.075 0.000 1.779 145 C CB -1.344 26.438 27.740 0.068 0.000 1.779 145 C HN 0.542 nan 8.230 nan 0.000 0.546 146 L N 0.196 121.542 121.223 0.205 0.000 2.388 146 L HA 0.250 4.592 4.340 0.003 0.000 0.209 146 L C 2.604 179.658 176.870 0.306 0.000 1.061 146 L CA 1.399 56.438 54.840 0.332 0.000 0.834 146 L CB -0.828 41.386 42.059 0.258 0.000 1.029 146 L HN 0.158 nan 8.230 nan 0.000 0.473 147 A N -0.910 122.018 122.820 0.180 0.000 1.898 147 A HA -0.160 4.162 4.320 0.003 0.000 0.216 147 A C 2.278 179.946 177.584 0.139 0.000 1.181 147 A CA 2.317 54.448 52.037 0.157 0.000 0.620 147 A CB -0.917 18.146 19.000 0.104 0.000 0.819 147 A HN 0.379 nan 8.150 nan 0.000 0.442 148 T N 0.615 115.221 114.554 0.088 0.000 2.588 148 T HA -0.082 4.270 4.350 0.003 0.000 0.261 148 T C 0.010 174.733 174.700 0.039 0.000 1.069 148 T CA 1.755 63.882 62.100 0.044 0.000 1.172 148 T CB -1.166 67.686 68.868 -0.027 0.000 0.863 148 T HN 0.494 nan 8.240 nan 0.000 0.408 149 P HA -0.068 nan 4.420 nan 0.000 0.216 149 P C 1.014 178.234 177.300 -0.132 0.000 1.150 149 P CA 1.266 64.331 63.100 -0.059 0.000 0.837 149 P CB -0.323 31.346 31.700 -0.051 0.000 0.786 150 F N 0.395 120.385 119.950 0.067 0.000 2.816 150 F HA 0.092 4.621 4.527 0.003 0.000 0.302 150 F C 0.985 176.795 175.800 0.017 0.000 1.178 150 F CA 0.248 58.269 58.000 0.035 0.000 1.421 150 F CB -0.626 38.348 39.000 -0.043 0.000 1.114 150 F HN -0.148 nan 8.300 nan 0.000 0.573 151 K N 0.514 120.980 120.400 0.110 0.000 3.077 151 K HA -0.205 4.117 4.320 0.003 0.000 0.264 151 K C -0.472 176.125 176.600 -0.004 0.000 1.008 151 K CA -0.041 56.255 56.287 0.016 0.000 0.740 151 K CB -1.799 30.643 32.500 -0.097 0.000 1.273 151 K HN 0.126 nan 8.250 nan 0.000 0.477 152 I N 1.058 121.711 120.570 0.138 0.000 2.496 152 I HA 0.000 4.172 4.170 0.003 0.000 0.285 152 I C 1.723 177.995 176.117 0.258 0.000 1.080 152 I CA 0.504 61.906 61.300 0.169 0.000 1.404 152 I CB 0.602 38.717 38.000 0.191 0.000 1.403 152 I HN 0.281 nan 8.210 nan 0.000 0.539 153 H N 3.155 122.267 119.070 0.070 0.000 2.874 153 H HA 0.175 4.733 4.556 0.003 0.000 0.264 153 H C 1.382 176.730 175.328 0.033 0.000 1.007 153 H CA 0.006 56.079 56.048 0.042 0.000 1.207 153 H CB 1.284 31.065 29.762 0.032 0.000 1.487 153 H HN 0.770 nan 8.280 nan 0.000 0.505 154 G N 0.850 109.741 108.800 0.151 0.000 2.679 154 G HA2 0.097 4.058 3.960 0.003 0.000 0.202 154 G HA3 0.097 4.058 3.960 0.003 0.000 0.202 154 G C -0.158 174.764 174.900 0.037 0.000 1.566 154 G CA -0.293 44.850 45.100 0.071 0.000 1.074 154 G HN 0.097 nan 8.290 nan 0.000 0.564 155 V N 0.806 120.712 119.914 -0.015 0.000 2.740 155 V HA 0.388 4.510 4.120 0.003 0.000 0.303 155 V C -0.472 175.544 176.094 -0.130 0.000 1.054 155 V CA -0.088 62.171 62.300 -0.069 0.000 1.106 155 V CB 1.099 32.832 31.823 -0.150 0.000 0.957 155 V HN 0.737 nan 8.190 nan 0.000 0.486 156 N N 5.690 124.326 118.700 -0.106 0.000 2.558 156 N HA 0.531 5.273 4.740 0.003 0.000 0.285 156 N C -1.262 174.268 175.510 0.033 0.000 1.112 156 N CA -0.354 52.653 53.050 -0.072 0.000 0.857 156 N CB 1.135 39.641 38.487 0.033 0.000 1.376 156 N HN 0.789 nan 8.380 nan 0.000 0.526 157 Y N -1.119 119.205 120.300 0.040 0.000 2.810 157 Y HA 0.565 5.117 4.550 0.003 0.000 0.355 157 Y C -1.374 174.547 175.900 0.035 0.000 1.211 157 Y CA -1.187 56.933 58.100 0.033 0.000 1.112 157 Y CB 0.166 38.641 38.460 0.026 0.000 1.383 157 Y HN 0.117 nan 8.280 nan 0.000 0.458 158 S N 1.191 117.102 115.700 0.353 0.000 2.681 158 S HA 0.764 5.235 4.470 0.003 0.000 0.299 158 S C -0.957 173.806 174.600 0.271 0.000 1.113 158 S CA -0.838 57.504 58.200 0.236 0.000 1.013 158 S CB 1.353 64.638 63.200 0.141 0.000 1.076 158 S HN 0.518 nan 8.310 nan 0.000 0.534 159 I N 2.083 122.767 120.570 0.190 0.000 2.498 159 I HA 0.386 4.558 4.170 0.003 0.000 0.290 159 I C -0.463 175.721 176.117 0.112 0.000 1.032 159 I CA -0.427 60.962 61.300 0.147 0.000 1.073 159 I CB 2.074 40.173 38.000 0.165 0.000 1.251 159 I HN 0.660 nan 8.210 nan 0.000 0.426 160 S N 3.222 118.972 115.700 0.083 0.000 2.502 160 S HA 0.690 5.162 4.470 0.003 0.000 0.304 160 S C -0.261 174.389 174.600 0.083 0.000 1.097 160 S CA -0.486 57.765 58.200 0.085 0.000 1.045 160 S CB 1.645 64.889 63.200 0.073 0.000 1.019 160 S HN 0.655 nan 8.310 nan 0.000 0.481 161 S N 1.380 117.151 115.700 0.117 0.000 2.607 161 S HA 0.640 5.112 4.470 0.003 0.000 0.196 161 S C 0.644 175.333 174.600 0.147 0.000 0.911 161 S CA -0.233 58.050 58.200 0.139 0.000 1.133 161 S CB -0.474 62.840 63.200 0.190 0.000 1.612 161 S HN 2.261 nan 8.310 nan 0.000 0.437 162 A N 0.847 123.734 122.820 0.111 0.000 5.481 162 A HA -0.348 3.974 4.320 0.003 0.000 0.318 162 A C 1.686 179.285 177.584 0.025 0.000 1.837 162 A CA 1.368 53.445 52.037 0.068 0.000 0.717 162 A CB -2.207 16.837 19.000 0.073 0.000 1.349 162 A HN 1.617 nan 8.150 nan 0.000 0.388 163 C N 0.139 119.415 119.300 -0.039 0.000 2.485 163 C HA 0.361 4.823 4.460 0.003 0.000 0.283 163 C C 2.629 177.633 174.990 0.023 0.000 1.478 163 C CA 1.054 60.061 59.018 -0.018 0.000 1.741 163 C CB -2.031 25.697 27.740 -0.021 0.000 1.675 163 C HN 1.351 nan 8.230 nan 0.000 0.573 164 A N 0.124 122.985 122.820 0.067 0.000 2.252 164 A HA 0.133 4.455 4.320 0.003 0.000 0.213 164 A C 1.925 179.567 177.584 0.096 0.000 1.188 164 A CA 0.894 52.957 52.037 0.043 0.000 0.863 164 A CB -0.640 18.432 19.000 0.121 0.000 0.893 164 A HN 0.420 nan 8.150 nan 0.000 0.495 165 T N 1.617 116.256 114.554 0.142 0.000 2.522 165 T HA -0.300 4.052 4.350 0.003 0.000 0.253 165 T C 2.209 176.972 174.700 0.106 0.000 1.218 165 T CA 2.855 65.041 62.100 0.144 0.000 1.155 165 T CB -0.619 68.304 68.868 0.091 0.000 0.855 165 T HN 0.809 nan 8.240 nan 0.000 0.435 166 S N 1.482 117.205 115.700 0.037 0.000 2.481 166 S HA 0.233 4.705 4.470 0.003 0.000 0.231 166 S C 2.282 176.862 174.600 -0.035 0.000 0.996 166 S CA 0.750 58.950 58.200 0.001 0.000 0.942 166 S CB -0.410 62.772 63.200 -0.029 0.000 0.768 166 S HN 0.590 nan 8.310 nan 0.000 0.520 167 A N 1.953 124.739 122.820 -0.057 0.000 1.873 167 A HA -0.028 4.294 4.320 0.003 0.000 0.215 167 A C 1.924 179.450 177.584 -0.097 0.000 1.186 167 A CA 1.411 53.375 52.037 -0.123 0.000 0.616 167 A CB -1.020 17.861 19.000 -0.198 0.000 0.823 167 A HN 0.682 nan 8.150 nan 0.000 0.442 168 H N -1.857 117.228 119.070 0.024 0.000 2.495 168 H HA -0.068 4.489 4.556 0.003 0.000 0.287 168 H C 2.081 177.386 175.328 -0.038 0.000 1.033 168 H CA 1.028 57.109 56.048 0.055 0.000 1.307 168 H CB -0.122 29.723 29.762 0.139 0.000 1.401 168 H HN 0.531 nan 8.280 nan 0.000 0.555 169 C N 0.187 119.539 119.300 0.086 0.000 2.440 169 C HA -0.097 4.364 4.460 0.003 0.000 0.278 169 C C 2.643 177.587 174.990 -0.076 0.000 1.295 169 C CA 0.631 59.666 59.018 0.028 0.000 1.738 169 C CB -0.721 27.032 27.740 0.021 0.000 1.987 169 C HN 0.552 nan 8.230 nan 0.000 0.492 170 I N 1.080 121.571 120.570 -0.131 0.000 2.252 170 I HA -0.104 4.067 4.170 0.003 0.000 0.245 170 I C 2.735 178.643 176.117 -0.347 0.000 1.102 170 I CA 1.800 62.979 61.300 -0.202 0.000 1.385 170 I CB -0.982 36.906 38.000 -0.187 0.000 1.064 170 I HN 0.439 nan 8.210 nan 0.000 0.414 171 G N 0.754 109.174 108.800 -0.634 0.000 2.421 171 G HA2 -0.300 3.662 3.960 0.003 0.000 0.216 171 G HA3 -0.300 3.662 3.960 0.003 0.000 0.216 171 G C 1.491 176.020 174.900 -0.618 0.000 1.171 171 G CA 0.733 44.984 45.100 -1.414 0.000 0.775 171 G HN 0.315 nan 8.290 nan 0.000 0.543 172 N N 1.227 119.776 118.700 -0.252 0.000 2.149 172 N HA -0.117 4.625 4.740 0.003 0.000 0.188 172 N C 2.489 177.977 175.510 -0.038 0.000 1.019 172 N CA 1.347 54.393 53.050 -0.006 0.000 0.857 172 N CB -0.188 38.365 38.487 0.111 0.000 0.997 172 N HN 0.269 nan 8.380 nan 0.000 0.426 173 A N 0.417 123.173 122.820 -0.106 0.000 1.930 173 A HA -0.036 4.285 4.320 0.003 0.000 0.217 173 A C 2.506 180.025 177.584 -0.109 0.000 1.175 173 A CA 0.994 52.962 52.037 -0.116 0.000 0.627 173 A CB -0.649 18.266 19.000 -0.143 0.000 0.815 173 A HN 0.156 nan 8.150 nan 0.000 0.443 174 V N 0.161 119.997 119.914 -0.130 0.000 2.407 174 V HA -0.248 3.873 4.120 0.003 0.000 0.248 174 V C 2.330 178.406 176.094 -0.030 0.000 1.055 174 V CA 2.231 64.476 62.300 -0.091 0.000 1.049 174 V CB -0.723 31.033 31.823 -0.112 0.000 0.662 174 V HN 0.640 nan 8.190 nan 0.000 0.455 175 E N -0.703 119.496 120.200 -0.002 0.000 2.204 175 E HA -0.204 4.148 4.350 0.003 0.000 0.194 175 E C 2.325 178.941 176.600 0.027 0.000 0.989 175 E CA 0.742 57.173 56.400 0.051 0.000 0.824 175 E CB -0.032 29.732 29.700 0.106 0.000 0.756 175 E HN 0.544 nan 8.360 nan 0.000 0.477 176 Q N -0.055 119.745 119.800 0.000 0.000 2.172 176 Q HA -0.085 4.257 4.340 0.003 0.000 0.200 176 Q C 2.124 178.109 176.000 -0.025 0.000 0.964 176 Q CA 0.818 56.616 55.803 -0.009 0.000 0.855 176 Q CB 0.011 28.729 28.738 -0.034 0.000 0.918 176 Q HN 0.294 nan 8.270 nan 0.000 0.444 177 I N 0.984 121.529 120.570 -0.041 0.000 2.233 177 I HA -0.234 3.938 4.170 0.003 0.000 0.243 177 I C 2.315 178.421 176.117 -0.018 0.000 1.093 177 I CA 1.245 62.518 61.300 -0.045 0.000 1.380 177 I CB -0.368 37.594 38.000 -0.063 0.000 1.067 177 I HN 0.161 nan 8.210 nan 0.000 0.413 178 Q N -0.125 119.674 119.800 -0.003 0.000 2.170 178 Q HA -0.103 4.238 4.340 0.003 0.000 0.203 178 Q C 2.071 178.079 176.000 0.014 0.000 0.976 178 Q CA 1.125 56.935 55.803 0.012 0.000 0.858 178 Q CB -0.192 28.563 28.738 0.029 0.000 0.907 178 Q HN 0.473 nan 8.270 nan 0.000 0.433 179 L N -0.430 120.801 121.223 0.015 0.000 2.599 179 L HA 0.064 4.406 4.340 0.003 0.000 0.230 179 L C 1.158 178.034 176.870 0.010 0.000 1.141 179 L CA 0.401 55.251 54.840 0.017 0.000 0.877 179 L CB -0.243 41.830 42.059 0.024 0.000 1.009 179 L HN 0.464 nan 8.230 nan 0.000 0.447 180 G N 0.106 108.907 108.800 0.003 0.000 2.189 180 G HA2 -0.352 3.610 3.960 0.003 0.000 0.267 180 G HA3 -0.352 3.610 3.960 0.003 0.000 0.267 180 G C 1.113 176.012 174.900 -0.002 0.000 0.975 180 G CA 0.694 45.794 45.100 0.001 0.000 0.644 180 G HN 0.390 nan 8.290 nan 0.000 0.537 181 K N -0.600 119.798 120.400 -0.002 0.000 2.217 181 K HA 0.050 4.372 4.320 0.003 0.000 0.202 181 K C 1.029 177.620 176.600 -0.016 0.000 1.051 181 K CA 1.004 57.290 56.287 -0.002 0.000 0.952 181 K CB 0.003 32.508 32.500 0.009 0.000 0.736 181 K HN 0.500 nan 8.250 nan 0.000 0.453 182 Q N -0.673 119.103 119.800 -0.039 0.000 2.462 182 Q HA 0.142 4.484 4.340 0.003 0.000 0.285 182 Q C -0.558 175.375 176.000 -0.111 0.000 1.035 182 Q CA -0.423 55.337 55.803 -0.072 0.000 0.799 182 Q CB 1.892 30.576 28.738 -0.090 0.000 1.452 182 Q HN -0.066 nan 8.270 nan 0.000 0.404 183 D N 0.011 120.306 120.400 -0.175 0.000 2.379 183 D HA 0.299 4.941 4.640 0.003 0.000 0.218 183 D C 0.243 176.315 176.300 -0.380 0.000 1.006 183 D CA 0.735 54.563 54.000 -0.287 0.000 0.893 183 D CB 1.501 42.041 40.800 -0.434 0.000 1.019 183 D HN 0.332 nan 8.370 nan 0.000 0.503 184 I N 1.102 121.459 120.570 -0.355 0.000 2.569 184 I HA 0.261 4.433 4.170 0.003 0.000 0.290 184 I C -1.235 174.640 176.117 -0.403 0.000 1.088 184 I CA -0.736 60.312 61.300 -0.420 0.000 1.047 184 I CB 3.141 40.844 38.000 -0.495 0.000 1.237 184 I HN -0.399 nan 8.210 nan 0.000 0.421 185 V N 6.077 125.728 119.914 -0.437 0.000 2.623 185 V HA 0.402 4.524 4.120 0.003 0.000 0.304 185 V C -0.676 175.163 176.094 -0.424 0.000 1.054 185 V CA -0.649 61.439 62.300 -0.353 0.000 0.882 185 V CB 1.853 33.549 31.823 -0.211 0.000 1.002 185 V HN 0.382 nan 8.190 nan 0.000 0.424 186 F N 3.113 122.960 119.950 -0.171 0.000 2.438 186 F HA 0.686 5.215 4.527 0.003 0.000 0.356 186 F C 0.737 176.437 175.800 -0.166 0.000 1.099 186 F CA -0.082 57.801 58.000 -0.194 0.000 1.185 186 F CB 1.196 40.044 39.000 -0.253 0.000 1.115 186 F HN 0.583 nan 8.300 nan 0.000 0.526 187 A N 2.650 125.462 122.820 -0.012 0.000 2.356 187 A HA 0.904 5.226 4.320 0.003 0.000 0.310 187 A C -0.023 177.533 177.584 -0.047 0.000 1.075 187 A CA 0.115 52.122 52.037 -0.050 0.000 0.746 187 A CB 1.203 20.145 19.000 -0.096 0.000 1.221 187 A HN 0.983 nan 8.150 nan 0.000 0.443 188 G N 0.147 108.926 108.800 -0.036 0.000 2.539 188 G HA2 0.794 4.756 3.960 0.003 0.000 0.138 188 G HA3 0.794 4.756 3.960 0.003 0.000 0.138 188 G C -0.106 174.787 174.900 -0.012 0.000 1.148 188 G CA 0.383 45.459 45.100 -0.040 0.000 1.057 188 G HN 2.333 nan 8.290 nan 0.000 0.511 189 G N -2.203 106.598 108.800 0.001 0.000 2.320 189 G HA2 0.723 4.685 3.960 0.003 0.000 0.297 189 G HA3 0.723 4.685 3.960 0.003 0.000 0.297 189 G C -0.457 174.473 174.900 0.051 0.000 1.344 189 G CA 0.609 45.728 45.100 0.031 0.000 0.851 189 G HN 1.965 nan 8.290 nan 0.000 0.567 190 G N -1.449 107.399 108.800 0.080 0.000 2.766 190 G HA2 0.781 4.743 3.960 0.003 0.000 0.288 190 G HA3 0.781 4.743 3.960 0.003 0.000 0.288 190 G C -1.667 173.309 174.900 0.128 0.000 1.408 190 G CA -0.176 45.003 45.100 0.131 0.000 0.852 190 G HN 0.921 nan 8.290 nan 0.000 0.487 191 E N -0.333 119.982 120.200 0.192 0.000 2.506 191 E HA 0.276 4.628 4.350 0.003 0.000 0.308 191 E C -0.399 176.338 176.600 0.228 0.000 0.931 191 E CA -0.591 55.899 56.400 0.150 0.000 0.800 191 E CB 1.057 30.804 29.700 0.079 0.000 1.292 191 E HN 0.727 nan 8.360 nan 0.000 0.401 192 E N 3.128 123.434 120.200 0.177 0.000 2.369 192 E HA 0.434 4.786 4.350 0.003 0.000 0.255 192 E C -0.664 176.018 176.600 0.137 0.000 1.172 192 E CA -0.865 55.649 56.400 0.190 0.000 0.932 192 E CB 1.123 30.883 29.700 0.101 0.000 1.040 192 E HN 0.253 nan 8.360 nan 0.000 0.454 193 L N 1.977 123.259 121.223 0.098 0.000 2.349 193 L HA 0.504 4.846 4.340 0.003 0.000 0.278 193 L C -1.299 175.616 176.870 0.075 0.000 0.996 193 L CA -0.444 54.409 54.840 0.021 0.000 0.825 193 L CB 0.990 42.921 42.059 -0.213 0.000 1.243 193 L HN 0.948 nan 8.230 nan 0.000 0.412 194 C N 2.642 122.040 119.300 0.164 0.000 3.302 194 C HA 0.398 4.860 4.460 0.003 0.000 0.347 194 C C 0.988 176.064 174.990 0.144 0.000 1.218 194 C CA -0.928 58.181 59.018 0.151 0.000 1.234 194 C CB 0.467 28.174 27.740 -0.055 0.000 1.551 194 C HN 1.080 nan 8.230 nan 0.000 0.501 195 W N 1.243 122.655 121.300 0.187 0.000 2.374 195 W HA 0.022 4.683 4.660 0.003 0.000 0.288 195 W C 1.072 177.654 176.519 0.105 0.000 1.218 195 W CA 1.872 59.291 57.345 0.124 0.000 1.245 195 W CB -1.086 28.406 29.460 0.054 0.000 1.126 195 W HN 0.897 nan 8.180 nan 0.000 0.545 196 E N 0.877 120.355 120.200 -1.203 0.000 2.086 196 E HA -0.279 4.072 4.350 0.003 0.000 0.200 196 E C 2.358 178.755 176.600 -0.337 0.000 1.012 196 E CA 2.880 58.640 56.400 -1.067 0.000 0.812 196 E CB -0.739 28.422 29.700 -0.899 0.000 0.743 196 E HN 0.361 nan 8.360 nan 0.000 0.453 197 M N -0.476 119.032 119.600 -0.153 0.000 2.216 197 M HA 0.053 4.535 4.480 0.003 0.000 0.264 197 M C 2.156 178.569 176.300 0.190 0.000 1.080 197 M CA 1.311 56.633 55.300 0.036 0.000 1.153 197 M CB 0.041 32.707 32.600 0.110 0.000 1.356 197 M HN 0.166 nan 8.290 nan 0.000 0.432 198 A N 0.652 123.613 122.820 0.234 0.000 1.892 198 A HA -0.277 4.045 4.320 0.003 0.000 0.218 198 A C 2.375 180.133 177.584 0.289 0.000 1.188 198 A CA 2.068 54.300 52.037 0.324 0.000 0.631 198 A CB -1.900 17.276 19.000 0.294 0.000 0.822 198 A HN 0.885 nan 8.150 nan 0.000 0.447 199 C N -0.710 118.735 119.300 0.241 0.000 2.411 199 C HA -0.101 4.361 4.460 0.003 0.000 0.279 199 C C 2.206 177.277 174.990 0.135 0.000 1.288 199 C CA 1.141 60.286 59.018 0.211 0.000 1.764 199 C CB -1.661 26.251 27.740 0.286 0.000 1.974 199 C HN 0.662 nan 8.230 nan 0.000 0.498 200 E N 0.404 120.650 120.200 0.077 0.000 2.077 200 E HA -0.120 4.232 4.350 0.003 0.000 0.193 200 E C 1.815 178.358 176.600 -0.096 0.000 0.989 200 E CA 1.615 57.980 56.400 -0.058 0.000 0.800 200 E CB -0.308 29.281 29.700 -0.185 0.000 0.746 200 E HN 0.790 nan 8.360 nan 0.000 0.452 201 F N 1.002 121.015 119.950 0.105 0.000 2.163 201 F HA -0.133 4.396 4.527 0.003 0.000 0.297 201 F C 2.250 178.068 175.800 0.030 0.000 1.094 201 F CA 1.043 59.105 58.000 0.102 0.000 1.290 201 F CB -0.224 38.819 39.000 0.070 0.000 1.017 201 F HN -0.018 nan 8.300 nan 0.000 0.483 202 D N 0.475 120.993 120.400 0.196 0.000 2.123 202 D HA -0.164 4.478 4.640 0.003 0.000 0.196 202 D C 2.189 178.537 176.300 0.080 0.000 0.992 202 D CA 1.345 55.406 54.000 0.100 0.000 0.833 202 D CB -0.257 40.600 40.800 0.094 0.000 0.954 202 D HN 0.175 nan 8.370 nan 0.000 0.455 203 A N -0.303 122.563 122.820 0.076 0.000 2.172 203 A HA -0.039 4.283 4.320 0.003 0.000 0.216 203 A C 2.213 179.821 177.584 0.040 0.000 1.154 203 A CA 0.756 52.822 52.037 0.049 0.000 0.701 203 A CB -0.475 18.549 19.000 0.040 0.000 0.789 203 A HN 0.319 nan 8.150 nan 0.000 0.465 204 M N -2.056 117.580 119.600 0.061 0.000 2.465 204 M HA 0.181 4.663 4.480 0.003 0.000 0.249 204 M C 1.286 177.635 176.300 0.082 0.000 1.130 204 M CA 0.828 56.166 55.300 0.064 0.000 1.067 204 M CB 0.523 33.186 32.600 0.105 0.000 1.394 204 M HN 0.609 nan 8.290 nan 0.000 0.483 205 G N 0.317 109.165 108.800 0.079 0.000 2.143 205 G HA2 -0.282 3.680 3.960 0.003 0.000 0.248 205 G HA3 -0.282 3.680 3.960 0.003 0.000 0.248 205 G C 0.717 175.667 174.900 0.084 0.000 0.991 205 G CA 0.419 45.558 45.100 0.065 0.000 0.689 205 G HN 0.549 nan 8.290 nan 0.000 0.522 206 A N -0.811 122.078 122.820 0.115 0.000 2.021 206 A HA 0.632 4.954 4.320 0.003 0.000 0.216 206 A C 1.388 178.876 177.584 -0.161 0.000 1.163 206 A CA 0.879 52.988 52.037 0.119 0.000 0.676 206 A CB 0.065 19.291 19.000 0.377 0.000 0.818 206 A HN 0.681 nan 8.150 nan 0.000 0.453 207 L N -0.062 121.021 121.223 -0.234 0.000 2.421 207 L HA 0.304 4.645 4.340 0.003 0.000 0.263 207 L C 0.807 177.609 176.870 -0.114 0.000 1.122 207 L CA -0.503 54.138 54.840 -0.333 0.000 0.804 207 L CB 1.146 43.051 42.059 -0.256 0.000 1.150 207 L HN 0.156 nan 8.230 nan 0.000 0.457 208 S N -0.179 115.482 115.700 -0.065 0.000 2.549 208 S HA 0.160 4.631 4.470 0.003 0.000 0.283 208 S C 0.755 175.367 174.600 0.019 0.000 1.320 208 S CA 0.134 58.363 58.200 0.049 0.000 1.058 208 S CB 0.500 63.778 63.200 0.130 0.000 0.882 208 S HN 0.838 nan 8.310 nan 0.000 0.498 209 T N 1.552 116.107 114.554 0.001 0.000 2.992 209 T HA 0.299 4.651 4.350 0.003 0.000 0.255 209 T C 0.977 175.600 174.700 -0.129 0.000 0.938 209 T CA -0.386 61.666 62.100 -0.080 0.000 0.895 209 T CB -0.165 68.648 68.868 -0.092 0.000 1.221 209 T HN 0.581 nan 8.240 nan 0.000 0.512 210 K N 0.246 120.541 120.400 -0.176 0.000 2.459 210 K HA 0.181 4.503 4.320 0.003 0.000 0.193 210 K C -0.013 176.255 176.600 -0.552 0.000 1.030 210 K CA 0.563 56.613 56.287 -0.393 0.000 1.026 210 K CB 0.012 32.190 32.500 -0.538 0.000 0.809 210 K HN 0.514 nan 8.250 nan 0.000 0.504 211 Y N -0.229 120.066 120.300 -0.009 0.000 2.660 211 Y HA 0.193 4.745 4.550 0.003 0.000 0.254 211 Y C 0.723 176.636 175.900 0.021 0.000 1.176 211 Y CA -0.566 57.538 58.100 0.007 0.000 1.195 211 Y CB -0.137 38.337 38.460 0.022 0.000 1.190 211 Y HN 0.081 nan 8.280 nan 0.000 0.535 212 N N 0.646 119.405 118.700 0.098 0.000 2.334 212 N HA -0.191 4.551 4.740 0.003 0.000 0.187 212 N C 0.805 176.388 175.510 0.121 0.000 1.016 212 N CA 1.304 54.435 53.050 0.135 0.000 0.879 212 N CB 0.053 38.587 38.487 0.078 0.000 0.965 212 N HN 0.369 nan 8.380 nan 0.000 0.438 213 D N -0.194 120.245 120.400 0.065 0.000 2.289 213 D HA -0.028 4.614 4.640 0.003 0.000 0.207 213 D C 0.537 176.862 176.300 0.040 0.000 0.966 213 D CA 1.016 55.026 54.000 0.017 0.000 0.868 213 D CB 0.161 40.962 40.800 0.001 0.000 0.943 213 D HN 0.300 nan 8.370 nan 0.000 0.514 214 T N -1.241 113.373 114.554 0.100 0.000 3.410 214 T HA 0.323 4.675 4.350 0.003 0.000 0.328 214 T C -2.275 172.494 174.700 0.115 0.000 1.567 214 T CA -1.667 60.489 62.100 0.095 0.000 1.626 214 T CB 1.824 70.755 68.868 0.105 0.000 0.939 214 T HN -0.272 nan 8.240 nan 0.000 0.656 215 P HA -0.190 nan 4.420 nan 0.000 0.217 215 P C 1.391 178.751 177.300 0.101 0.000 1.158 215 P CA 1.344 64.531 63.100 0.145 0.000 0.887 215 P CB 0.135 31.942 31.700 0.179 0.000 0.792 216 E N -0.740 119.502 120.200 0.069 0.000 2.472 216 E HA -0.125 4.226 4.350 0.003 0.000 0.200 216 E C 1.260 177.857 176.600 -0.006 0.000 1.046 216 E CA 0.706 57.127 56.400 0.035 0.000 0.871 216 E CB -0.203 29.513 29.700 0.027 0.000 0.806 216 E HN 0.435 nan 8.360 nan 0.000 0.533 217 K N -0.335 120.048 120.400 -0.028 0.000 2.358 217 K HA 0.229 4.551 4.320 0.003 0.000 0.200 217 K C 1.761 178.186 176.600 -0.292 0.000 1.030 217 K CA 0.260 56.467 56.287 -0.134 0.000 1.097 217 K CB 0.773 33.196 32.500 -0.129 0.000 0.862 217 K HN -0.037 nan 8.250 nan 0.000 0.534 218 A N 1.699 124.435 122.820 -0.139 0.000 1.859 218 A HA -0.125 4.197 4.320 0.003 0.000 0.217 218 A C 1.486 179.008 177.584 -0.103 0.000 1.198 218 A CA 1.432 53.417 52.037 -0.087 0.000 0.629 218 A CB -0.410 18.651 19.000 0.101 0.000 0.830 218 A HN 0.201 nan 8.150 nan 0.000 0.446 219 S N 0.807 116.486 115.700 -0.035 0.000 2.414 219 S HA 0.347 4.819 4.470 0.003 0.000 0.290 219 S C 0.380 174.934 174.600 -0.077 0.000 1.160 219 S CA -0.444 57.746 58.200 -0.017 0.000 1.069 219 S CB -0.302 62.908 63.200 0.017 0.000 1.012 219 S HN 0.471 nan 8.310 nan 0.000 0.510 220 R N 2.947 123.392 120.500 -0.091 0.000 2.674 220 R HA 0.207 4.549 4.340 0.003 0.000 0.270 220 R C -0.696 175.549 176.300 -0.093 0.000 1.492 220 R CA -0.643 55.398 56.100 -0.100 0.000 1.624 220 R CB -0.765 29.448 30.300 -0.146 0.000 1.307 220 R HN 0.396 nan 8.270 nan 0.000 0.683 221 T N 2.200 116.657 114.554 -0.163 0.000 2.905 221 T HA -0.071 4.281 4.350 0.003 0.000 0.299 221 T C -0.094 174.402 174.700 -0.340 0.000 1.024 221 T CA 0.928 62.813 62.100 -0.359 0.000 1.151 221 T CB -0.090 68.430 68.868 -0.581 0.000 0.987 221 T HN 0.543 nan 8.240 nan 0.000 0.535 222 Y N -1.208 119.104 120.300 0.020 0.000 4.936 222 Y HA -0.191 4.360 4.550 0.003 0.000 0.260 222 Y C 0.631 176.537 175.900 0.011 0.000 0.928 222 Y CA 0.350 58.459 58.100 0.016 0.000 1.869 222 Y CB -2.282 36.185 38.460 0.012 0.000 1.344 222 Y HN 0.760 nan 8.280 nan 0.000 0.521 223 D N 0.338 120.798 120.400 0.099 0.000 2.304 223 D HA 0.612 5.253 4.640 0.003 0.000 0.250 223 D C 1.213 177.532 176.300 0.031 0.000 1.107 223 D CA 0.698 54.742 54.000 0.074 0.000 0.885 223 D CB 1.332 42.166 40.800 0.056 0.000 1.192 223 D HN 0.235 nan 8.370 nan 0.000 0.436 224 A N 3.102 125.901 122.820 -0.035 0.000 2.186 224 A HA -0.154 4.168 4.320 0.003 0.000 0.219 224 A C 0.918 178.240 177.584 -0.438 0.000 1.159 224 A CA 1.324 53.225 52.037 -0.226 0.000 0.680 224 A CB -0.531 18.282 19.000 -0.312 0.000 0.787 224 A HN 0.767 nan 8.150 nan 0.000 0.467 225 H N -0.890 118.240 119.070 0.100 0.000 2.581 225 H HA 0.168 4.726 4.556 0.002 0.000 0.275 225 H C 0.516 175.963 175.328 0.198 0.000 1.126 225 H CA -0.401 55.736 56.048 0.149 0.000 1.097 225 H CB 0.209 30.088 29.762 0.195 0.000 1.626 225 H HN 0.573 nan 8.280 nan 0.000 0.565 226 R N 1.667 122.268 120.500 0.170 0.000 2.734 226 R HA 0.010 4.352 4.340 0.003 0.000 0.266 226 R C -0.534 175.881 176.300 0.192 0.000 1.044 226 R CA 0.531 56.723 56.100 0.155 0.000 1.128 226 R CB 0.458 30.801 30.300 0.071 0.000 1.010 226 R HN 0.248 nan 8.270 nan 0.000 0.461 227 D N 0.479 121.008 120.400 0.214 0.000 2.865 227 D HA 0.233 4.875 4.640 0.003 0.000 0.347 227 D C 0.059 176.436 176.300 0.127 0.000 1.498 227 D CA 0.036 54.136 54.000 0.166 0.000 0.787 227 D CB 0.351 41.250 40.800 0.165 0.000 1.190 227 D HN 0.928 nan 8.370 nan 0.000 0.445 228 G N 0.471 109.351 108.800 0.132 0.000 2.459 228 G HA2 0.178 4.139 3.960 0.003 0.000 0.685 228 G HA3 0.178 4.139 3.960 0.003 0.000 0.685 228 G C -0.508 174.477 174.900 0.143 0.000 1.303 228 G CA -0.686 44.487 45.100 0.121 0.000 0.907 228 G HN 0.340 nan 8.290 nan 0.000 0.632 229 F N -0.631 119.365 119.950 0.078 0.000 2.375 229 F HA 0.811 5.340 4.527 0.003 0.000 0.313 229 F C 0.335 176.170 175.800 0.058 0.000 1.176 229 F CA -1.372 56.660 58.000 0.055 0.000 1.142 229 F CB 1.115 40.153 39.000 0.063 0.000 1.275 229 F HN 0.412 nan 8.300 nan 0.000 0.544 230 V N 3.845 123.949 119.914 0.317 0.000 2.347 230 V HA 0.257 4.379 4.120 0.003 0.000 0.280 230 V C 0.326 176.634 176.094 0.356 0.000 1.021 230 V CA -0.867 61.559 62.300 0.210 0.000 0.847 230 V CB 1.075 33.006 31.823 0.179 0.000 0.990 230 V HN 0.828 nan 8.190 nan 0.000 0.444 231 I N 4.334 125.057 120.570 0.256 0.000 2.836 231 I HA 0.499 4.671 4.170 0.003 0.000 0.285 231 I C 0.521 176.769 176.117 0.217 0.000 1.174 231 I CA 0.455 61.925 61.300 0.284 0.000 1.405 231 I CB 1.070 39.179 38.000 0.183 0.000 1.385 231 I HN 0.808 nan 8.210 nan 0.000 0.594 232 A N 4.376 127.270 122.820 0.123 0.000 2.583 232 A HA 0.867 5.188 4.320 0.003 0.000 0.289 232 A C -0.706 176.857 177.584 -0.034 0.000 1.151 232 A CA -0.097 51.958 52.037 0.030 0.000 0.695 232 A CB 1.358 20.381 19.000 0.037 0.000 1.290 232 A HN 0.834 nan 8.150 nan 0.000 0.419 233 G N -1.866 106.857 108.800 -0.128 0.000 2.680 233 G HA2 0.929 4.891 3.960 0.003 0.000 0.290 233 G HA3 0.929 4.891 3.960 0.003 0.000 0.290 233 G C -0.139 174.583 174.900 -0.298 0.000 1.355 233 G CA -0.143 44.876 45.100 -0.135 0.000 0.903 233 G HN 2.287 nan 8.290 nan 0.000 0.474 234 G N -1.934 106.640 108.800 -0.376 0.000 2.339 234 G HA2 0.671 4.633 3.960 0.003 0.000 0.275 234 G HA3 0.671 4.633 3.960 0.003 0.000 0.275 234 G C -0.373 174.428 174.900 -0.165 0.000 1.323 234 G CA 0.305 45.072 45.100 -0.555 0.000 0.927 234 G HN 2.079 nan 8.290 nan 0.000 0.486 235 G N -1.948 106.794 108.800 -0.097 0.000 2.623 235 G HA2 0.955 4.917 3.960 0.003 0.000 0.290 235 G HA3 0.955 4.917 3.960 0.003 0.000 0.290 235 G C -0.442 174.442 174.900 -0.026 0.000 1.437 235 G CA 0.526 45.640 45.100 0.024 0.000 0.798 235 G HN 2.112 nan 8.290 nan 0.000 0.488 236 G N -1.319 107.462 108.800 -0.030 0.000 2.673 236 G HA2 0.709 4.670 3.960 0.003 0.000 0.292 236 G HA3 0.709 4.670 3.960 0.003 0.000 0.292 236 G C -1.688 173.171 174.900 -0.067 0.000 1.450 236 G CA -0.617 44.439 45.100 -0.073 0.000 0.837 236 G HN 1.062 nan 8.290 nan 0.000 0.505 237 M N 0.907 120.456 119.600 -0.084 0.000 2.365 237 M HA 0.606 5.088 4.480 0.003 0.000 0.288 237 M C -0.971 175.283 176.300 -0.076 0.000 1.152 237 M CA -0.636 54.619 55.300 -0.074 0.000 0.948 237 M CB 2.160 34.705 32.600 -0.091 0.000 1.729 237 M HN 1.124 nan 8.290 nan 0.000 0.487 238 V N 1.698 121.572 119.914 -0.067 0.000 2.960 238 V HA 0.914 5.036 4.120 0.003 0.000 0.315 238 V C -1.014 175.048 176.094 -0.053 0.000 1.087 238 V CA -0.935 61.317 62.300 -0.080 0.000 0.982 238 V CB 1.855 33.604 31.823 -0.124 0.000 1.039 238 V HN 0.604 nan 8.190 nan 0.000 0.437 239 V N 3.034 122.904 119.914 -0.073 0.000 2.348 239 V HA 0.355 4.477 4.120 0.003 0.000 0.270 239 V C 0.079 176.049 176.094 -0.207 0.000 1.037 239 V CA -0.338 61.852 62.300 -0.184 0.000 0.872 239 V CB 1.095 32.834 31.823 -0.140 0.000 1.002 239 V HN 0.717 nan 8.190 nan 0.000 0.464 240 V N 5.230 124.979 119.914 -0.274 0.000 2.383 240 V HA 0.455 4.577 4.120 0.003 0.000 0.275 240 V C 0.078 176.026 176.094 -0.243 0.000 1.036 240 V CA -0.293 61.879 62.300 -0.213 0.000 0.889 240 V CB 1.299 33.007 31.823 -0.192 0.000 0.985 240 V HN 0.965 nan 8.190 nan 0.000 0.459 241 E N 3.179 123.274 120.200 -0.175 0.000 2.292 241 E HA 0.303 4.655 4.350 0.003 0.000 0.272 241 E C -0.618 175.920 176.600 -0.103 0.000 0.881 241 E CA -0.713 55.583 56.400 -0.172 0.000 0.754 241 E CB 1.732 31.343 29.700 -0.148 0.000 1.201 241 E HN 0.695 nan 8.360 nan 0.000 0.425 242 E N 3.819 123.957 120.200 -0.104 0.000 2.442 242 E HA -0.074 4.278 4.350 0.003 0.000 0.262 242 E C 0.717 177.320 176.600 0.005 0.000 1.004 242 E CA -0.035 56.340 56.400 -0.041 0.000 0.928 242 E CB 0.973 30.655 29.700 -0.030 0.000 0.937 242 E HN 0.626 nan 8.360 nan 0.000 0.446 243 L N 5.408 126.633 121.223 0.003 0.000 1.955 243 L HA -0.225 4.116 4.340 0.003 0.000 0.213 243 L C 1.997 178.881 176.870 0.025 0.000 1.072 243 L CA 1.955 56.799 54.840 0.008 0.000 0.755 243 L CB -0.609 41.449 42.059 -0.001 0.000 0.888 243 L HN 0.565 nan 8.230 nan 0.000 0.432 244 E N -0.778 119.439 120.200 0.028 0.000 2.070 244 E HA -0.301 4.051 4.350 0.003 0.000 0.197 244 E C 2.265 178.886 176.600 0.036 0.000 1.004 244 E CA 1.597 58.011 56.400 0.024 0.000 0.805 244 E CB -0.803 28.910 29.700 0.021 0.000 0.744 244 E HN 0.660 nan 8.360 nan 0.000 0.451 245 H N 0.367 119.421 119.070 -0.026 0.000 2.387 245 H HA -0.057 4.501 4.556 0.003 0.000 0.299 245 H C 1.780 177.090 175.328 -0.029 0.000 1.099 245 H CA 1.837 57.869 56.048 -0.026 0.000 1.315 245 H CB 0.121 29.864 29.762 -0.033 0.000 1.380 245 H HN 0.133 nan 8.280 nan 0.000 0.513 246 A N 0.924 123.833 122.820 0.148 0.000 1.897 246 A HA -0.023 4.299 4.320 0.003 0.000 0.215 246 A C 2.891 180.476 177.584 0.002 0.000 1.181 246 A CA 0.875 52.961 52.037 0.082 0.000 0.620 246 A CB -0.768 18.256 19.000 0.041 0.000 0.821 246 A HN 0.399 nan 8.150 nan 0.000 0.443 247 L N -0.582 120.635 121.223 -0.009 0.000 2.131 247 L HA -0.195 4.147 4.340 0.003 0.000 0.210 247 L C 2.967 179.812 176.870 -0.040 0.000 1.092 247 L CA 0.989 55.815 54.840 -0.024 0.000 0.759 247 L CB -0.433 41.614 42.059 -0.020 0.000 0.903 247 L HN 0.437 nan 8.230 nan 0.000 0.435 248 A N 0.729 123.509 122.820 -0.066 0.000 2.067 248 A HA -0.158 4.164 4.320 0.003 0.000 0.219 248 A C 2.175 179.699 177.584 -0.099 0.000 1.158 248 A CA 1.308 53.291 52.037 -0.091 0.000 0.661 248 A CB -0.420 18.500 19.000 -0.134 0.000 0.801 248 A HN 0.578 nan 8.150 nan 0.000 0.452 249 R N -1.516 118.925 120.500 -0.099 0.000 2.432 249 R HA 0.369 4.710 4.340 0.003 0.000 0.260 249 R C 0.866 177.148 176.300 -0.030 0.000 0.935 249 R CA 0.544 56.602 56.100 -0.070 0.000 1.080 249 R CB -0.561 29.694 30.300 -0.074 0.000 1.155 249 R HN 0.662 nan 8.270 nan 0.000 0.531 250 G N 0.944 109.728 108.800 -0.027 0.000 2.246 250 G HA2 -0.308 3.654 3.960 0.003 0.000 0.273 250 G HA3 -0.308 3.654 3.960 0.003 0.000 0.273 250 G C 0.251 175.151 174.900 -0.001 0.000 1.055 250 G CA 0.156 45.248 45.100 -0.014 0.000 0.851 250 G HN 0.699 nan 8.290 nan 0.000 0.500 251 A N -0.302 122.517 122.820 -0.002 0.000 2.386 251 A HA 0.580 4.902 4.320 0.003 0.000 0.248 251 A C 0.418 178.001 177.584 -0.003 0.000 1.082 251 A CA 0.280 52.323 52.037 0.010 0.000 0.789 251 A CB 0.298 19.304 19.000 0.010 0.000 1.025 251 A HN 1.434 nan 8.150 nan 0.000 0.490 252 H N 1.929 120.952 119.070 -0.078 0.000 2.911 252 H HA 0.434 4.991 4.556 0.003 0.000 0.273 252 H C -0.507 174.716 175.328 -0.175 0.000 1.157 252 H CA -0.456 55.499 56.048 -0.154 0.000 1.402 252 H CB -0.395 29.236 29.762 -0.218 0.000 1.463 252 H HN 0.429 nan 8.280 nan 0.000 0.475 253 I N 6.692 126.931 120.570 -0.551 0.000 2.337 253 I HA -0.051 4.121 4.170 0.003 0.000 0.291 253 I C 0.292 176.073 176.117 -0.559 0.000 1.046 253 I CA -0.173 60.882 61.300 -0.409 0.000 1.324 253 I CB 0.581 38.463 38.000 -0.196 0.000 1.409 253 I HN 0.728 nan 8.210 nan 0.000 0.494 254 Y N 5.315 125.388 120.300 -0.379 0.000 2.206 254 Y HA 0.184 4.736 4.550 0.003 0.000 0.292 254 Y C 1.232 177.051 175.900 -0.135 0.000 1.123 254 Y CA 1.036 58.994 58.100 -0.236 0.000 1.142 254 Y CB 0.193 38.589 38.460 -0.106 0.000 1.006 254 Y HN 0.695 nan 8.280 nan 0.000 0.518 255 A N -0.878 121.977 122.820 0.057 0.000 2.544 255 A HA 0.378 4.700 4.320 0.003 0.000 0.291 255 A C -1.476 176.106 177.584 -0.002 0.000 1.055 255 A CA -0.846 51.201 52.037 0.018 0.000 0.651 255 A CB 0.590 19.611 19.000 0.034 0.000 1.296 255 A HN 0.050 nan 8.150 nan 0.000 0.431 256 E N 0.436 120.632 120.200 -0.006 0.000 2.216 256 E HA 0.593 4.945 4.350 0.003 0.000 0.279 256 E C -1.097 175.501 176.600 -0.004 0.000 0.997 256 E CA -0.570 55.825 56.400 -0.009 0.000 0.817 256 E CB 0.821 30.517 29.700 -0.006 0.000 1.096 256 E HN 0.474 nan 8.360 nan 0.000 0.393 257 I N 5.818 126.382 120.570 -0.010 0.000 2.281 257 I HA 0.035 4.207 4.170 0.003 0.000 0.293 257 I C 1.062 177.192 176.117 0.020 0.000 1.085 257 I CA -0.296 61.003 61.300 -0.002 0.000 1.257 257 I CB 0.881 38.867 38.000 -0.025 0.000 1.430 257 I HN 0.481 nan 8.210 nan 0.000 0.489 258 V N 2.551 122.483 119.914 0.031 0.000 3.647 258 V HA 0.485 4.606 4.120 0.003 0.000 0.279 258 V C 0.727 176.860 176.094 0.064 0.000 1.314 258 V CA 0.138 62.463 62.300 0.041 0.000 1.125 258 V CB -0.142 31.699 31.823 0.031 0.000 0.907 258 V HN 0.704 nan 8.190 nan 0.000 0.434 259 G N -0.424 108.424 108.800 0.081 0.000 2.753 259 G HA2 0.542 4.503 3.960 0.003 0.000 0.297 259 G HA3 0.542 4.503 3.960 0.003 0.000 0.297 259 G C -2.294 172.713 174.900 0.179 0.000 1.430 259 G CA -0.568 44.599 45.100 0.111 0.000 1.040 259 G HN 0.296 nan 8.290 nan 0.000 0.530 260 Y N 1.315 121.632 120.300 0.030 0.000 2.361 260 Y HA 0.702 5.254 4.550 0.003 0.000 0.328 260 Y C -0.221 175.704 175.900 0.042 0.000 1.044 260 Y CA -1.316 56.801 58.100 0.028 0.000 1.085 260 Y CB 1.873 40.350 38.460 0.028 0.000 1.194 260 Y HN 0.843 nan 8.280 nan 0.000 0.438 261 G N 3.118 111.822 108.800 -0.161 0.000 2.513 261 G HA2 0.762 4.724 3.960 0.003 0.000 0.317 261 G HA3 0.762 4.724 3.960 0.003 0.000 0.317 261 G C -1.789 172.937 174.900 -0.290 0.000 1.277 261 G CA -0.640 44.297 45.100 -0.270 0.000 0.955 261 G HN 1.132 nan 8.290 nan 0.000 0.484 262 A N 1.636 124.293 122.820 -0.272 0.000 2.446 262 A HA 0.856 5.178 4.320 0.003 0.000 0.282 262 A C 0.049 177.639 177.584 0.010 0.000 1.102 262 A CA -0.094 51.949 52.037 0.011 0.000 0.737 262 A CB 1.195 20.214 19.000 0.032 0.000 1.212 262 A HN 1.469 nan 8.150 nan 0.000 0.434 263 T N -1.424 113.176 114.554 0.076 0.000 2.693 263 T HA 0.870 5.222 4.350 0.003 0.000 0.278 263 T C -0.173 174.555 174.700 0.046 0.000 0.994 263 T CA -0.597 61.519 62.100 0.025 0.000 1.033 263 T CB 1.734 70.599 68.868 -0.006 0.000 1.342 263 T HN 1.278 nan 8.240 nan 0.000 0.538 264 S N -1.020 114.688 115.700 0.013 0.000 2.548 264 S HA 0.432 4.904 4.470 0.003 0.000 0.276 264 S C -0.277 174.321 174.600 -0.003 0.000 1.129 264 S CA -0.592 57.619 58.200 0.018 0.000 0.931 264 S CB 1.598 64.806 63.200 0.013 0.000 1.068 264 S HN 0.684 nan 8.310 nan 0.000 0.480 265 D N 2.960 123.359 120.400 -0.001 0.000 2.123 265 D HA 0.143 4.785 4.640 0.003 0.000 0.200 265 D C 1.571 177.866 176.300 -0.008 0.000 0.976 265 D CA 1.609 55.599 54.000 -0.016 0.000 0.831 265 D CB -0.415 40.378 40.800 -0.012 0.000 0.974 265 D HN 1.050 nan 8.370 nan 0.000 0.469 266 G N -0.161 108.641 108.800 0.004 0.000 2.283 266 G HA2 -0.150 3.812 3.960 0.003 0.000 0.280 266 G HA3 -0.150 3.812 3.960 0.003 0.000 0.280 266 G C 0.676 175.576 174.900 0.000 0.000 1.029 266 G CA 0.977 46.078 45.100 0.002 0.000 0.840 266 G HN 0.616 nan 8.290 nan 0.000 0.505 267 A N -0.890 121.932 122.820 0.003 0.000 1.857 267 A HA 0.671 4.993 4.320 0.003 0.000 0.192 267 A C 0.515 178.102 177.584 0.004 0.000 2.203 267 A CA 1.104 53.141 52.037 0.001 0.000 1.377 267 A CB 0.277 19.276 19.000 -0.002 0.000 0.976 267 A HN 0.497 nan 8.150 nan 0.000 0.594 268 D N -1.223 119.182 120.400 0.008 0.000 2.181 268 D HA 0.455 5.097 4.640 0.003 0.000 0.248 268 D C 1.069 177.372 176.300 0.006 0.000 1.020 268 D CA -0.484 53.518 54.000 0.004 0.000 0.891 268 D CB 0.820 41.623 40.800 0.006 0.000 1.187 268 D HN 0.105 nan 8.370 nan 0.000 0.443 269 M N 2.044 121.632 119.600 -0.021 0.000 2.229 269 M HA -0.014 4.468 4.480 0.003 0.000 0.264 269 M C 0.996 177.239 176.300 -0.094 0.000 1.063 269 M CA 1.100 56.376 55.300 -0.039 0.000 1.114 269 M CB -0.205 32.355 32.600 -0.065 0.000 1.387 269 M HN 0.497 nan 8.290 nan 0.000 0.420 270 V N -3.973 115.856 119.914 -0.143 0.000 3.355 270 V HA 0.651 4.772 4.120 0.003 0.000 0.330 270 V C -0.018 176.075 176.094 -0.002 0.000 1.479 270 V CA -0.326 61.792 62.300 -0.303 0.000 1.150 270 V CB -0.585 30.800 31.823 -0.731 0.000 1.044 270 V HN 0.121 nan 8.190 nan 0.000 0.501 271 A N 0.810 123.668 122.820 0.063 0.000 2.374 271 A HA 0.959 5.280 4.320 0.003 0.000 0.305 271 A C -3.153 174.490 177.584 0.098 0.000 1.053 271 A CA -1.676 50.424 52.037 0.105 0.000 0.726 271 A CB 1.447 20.484 19.000 0.061 0.000 1.229 271 A HN 0.222 nan 8.150 nan 0.000 0.431 272 P HA 0.119 nan 4.420 nan 0.000 0.268 272 P C 0.841 178.147 177.300 0.009 0.000 1.204 272 P CA 0.206 63.336 63.100 0.049 0.000 0.768 272 P CB 1.073 32.812 31.700 0.065 0.000 0.842 273 S N 1.609 117.290 115.700 -0.031 0.000 2.517 273 S HA 0.222 4.694 4.470 0.003 0.000 0.214 273 S C 1.695 176.264 174.600 -0.052 0.000 0.991 273 S CA 0.546 58.728 58.200 -0.030 0.000 0.906 273 S CB -0.705 62.478 63.200 -0.029 0.000 0.789 273 S HN 0.663 nan 8.310 nan 0.000 0.513 274 G N 2.271 111.010 108.800 -0.101 0.000 2.609 274 G HA2 -0.438 3.524 3.960 0.003 0.000 0.235 274 G HA3 -0.438 3.524 3.960 0.003 0.000 0.235 274 G C 0.972 175.801 174.900 -0.117 0.000 1.177 274 G CA 0.648 45.681 45.100 -0.111 0.000 0.707 274 G HN 0.482 nan 8.290 nan 0.000 0.513 275 E N 1.751 121.901 120.200 -0.083 0.000 2.085 275 E HA -0.105 4.247 4.350 0.003 0.000 0.194 275 E C 2.657 179.202 176.600 -0.091 0.000 0.994 275 E CA 2.402 58.760 56.400 -0.070 0.000 0.801 275 E CB -1.044 28.627 29.700 -0.048 0.000 0.743 275 E HN 0.680 nan 8.360 nan 0.000 0.453 276 G N 0.480 109.210 108.800 -0.116 0.000 2.408 276 G HA2 -0.148 3.814 3.960 0.003 0.000 0.217 276 G HA3 -0.148 3.814 3.960 0.003 0.000 0.217 276 G C 1.730 176.522 174.900 -0.180 0.000 1.150 276 G CA 1.195 46.222 45.100 -0.122 0.000 0.776 276 G HN 0.431 nan 8.290 nan 0.000 0.542 277 A N 0.346 122.976 122.820 -0.317 0.000 1.873 277 A HA 0.077 4.398 4.320 0.003 0.000 0.215 277 A C 2.595 180.102 177.584 -0.128 0.000 1.186 277 A CA 1.789 53.577 52.037 -0.414 0.000 0.616 277 A CB -0.680 17.913 19.000 -0.678 0.000 0.823 277 A HN 0.241 nan 8.150 nan 0.000 0.442 278 V N 0.167 120.020 119.914 -0.101 0.000 2.332 278 V HA -0.293 3.828 4.120 0.003 0.000 0.248 278 V C 2.654 178.712 176.094 -0.059 0.000 1.055 278 V CA 2.319 64.583 62.300 -0.060 0.000 1.038 278 V CB -0.874 30.914 31.823 -0.058 0.000 0.651 278 V HN 0.512 nan 8.190 nan 0.000 0.450 279 R N -1.080 119.384 120.500 -0.061 0.000 2.075 279 R HA -0.158 4.184 4.340 0.003 0.000 0.232 279 R C 2.425 178.702 176.300 -0.038 0.000 1.126 279 R CA 1.643 57.712 56.100 -0.051 0.000 0.963 279 R CB -0.917 29.352 30.300 -0.051 0.000 0.858 279 R HN 0.536 nan 8.270 nan 0.000 0.435 280 C N 0.881 120.166 119.300 -0.025 0.000 2.413 280 C HA -0.105 4.357 4.460 0.003 0.000 0.276 280 C C 2.653 177.663 174.990 0.033 0.000 1.236 280 C CA 0.973 60.000 59.018 0.014 0.000 1.735 280 C CB -0.683 27.103 27.740 0.076 0.000 2.031 280 C HN 0.459 nan 8.230 nan 0.000 0.474 281 M N -0.021 119.608 119.600 0.048 0.000 2.132 281 M HA -0.134 4.348 4.480 0.003 0.000 0.263 281 M C 2.294 178.581 176.300 -0.021 0.000 1.065 281 M CA 1.774 57.102 55.300 0.047 0.000 1.122 281 M CB -0.417 32.222 32.600 0.065 0.000 1.365 281 M HN 0.373 nan 8.290 nan 0.000 0.411 282 K N 0.058 120.422 120.400 -0.059 0.000 2.063 282 K HA -0.182 4.139 4.320 0.003 0.000 0.208 282 K C 1.993 178.589 176.600 -0.006 0.000 1.048 282 K CA 1.555 57.802 56.287 -0.067 0.000 0.928 282 K CB -0.342 32.117 32.500 -0.068 0.000 0.713 282 K HN 0.362 nan 8.250 nan 0.000 0.442 283 M N 0.866 120.461 119.600 -0.010 0.000 2.106 283 M HA -0.213 4.269 4.480 0.003 0.000 0.259 283 M C 2.166 178.482 176.300 0.026 0.000 1.068 283 M CA 1.940 57.235 55.300 -0.008 0.000 1.100 283 M CB -0.166 32.396 32.600 -0.062 0.000 1.351 283 M HN 0.210 nan 8.290 nan 0.000 0.404 284 A N 0.145 122.978 122.820 0.022 0.000 2.019 284 A HA -0.136 4.185 4.320 0.003 0.000 0.219 284 A C 1.917 179.541 177.584 0.068 0.000 1.164 284 A CA 1.586 53.656 52.037 0.054 0.000 0.644 284 A CB -0.626 18.415 19.000 0.069 0.000 0.805 284 A HN 0.677 nan 8.150 nan 0.000 0.449 285 M N -1.224 118.405 119.600 0.049 0.000 2.556 285 M HA 0.044 4.525 4.480 0.003 0.000 0.245 285 M C 0.544 176.861 176.300 0.027 0.000 1.128 285 M CA 0.074 55.393 55.300 0.032 0.000 1.069 285 M CB -0.241 32.347 32.600 -0.019 0.000 1.469 285 M HN 0.526 nan 8.290 nan 0.000 0.494 286 H N 0.735 119.794 119.070 -0.018 0.000 3.191 286 H HA 0.227 4.785 4.556 0.003 0.000 0.261 286 H C 1.038 176.363 175.328 -0.004 0.000 1.013 286 H CA 1.678 57.716 56.048 -0.017 0.000 1.457 286 H CB -0.001 29.747 29.762 -0.022 0.000 1.535 286 H HN 0.476 nan 8.280 nan 0.000 0.518 287 G N 3.090 111.705 108.800 -0.310 0.000 2.259 287 G HA2 -0.267 3.695 3.960 0.003 0.000 0.217 287 G HA3 -0.267 3.695 3.960 0.003 0.000 0.217 287 G C -0.006 174.851 174.900 -0.072 0.000 1.001 287 G CA -0.037 44.964 45.100 -0.165 0.000 0.627 287 G HN 0.639 nan 8.290 nan 0.000 0.501 288 V N 3.269 123.159 119.914 -0.041 0.000 2.403 288 V HA 0.309 4.431 4.120 0.003 0.000 0.265 288 V C 1.460 177.542 176.094 -0.020 0.000 1.034 288 V CA 0.958 63.252 62.300 -0.010 0.000 1.036 288 V CB 0.796 32.630 31.823 0.018 0.000 1.032 288 V HN 0.589 nan 8.190 nan 0.000 0.478 289 D N 2.650 123.039 120.400 -0.018 0.000 2.317 289 D HA -0.062 4.580 4.640 0.003 0.000 0.211 289 D C 1.004 177.304 176.300 -0.000 0.000 0.966 289 D CA 0.582 54.572 54.000 -0.017 0.000 0.876 289 D CB -0.169 40.621 40.800 -0.017 0.000 0.927 289 D HN 0.616 nan 8.370 nan 0.000 0.519 290 T N -2.086 112.475 114.554 0.011 0.000 2.928 290 T HA 0.523 4.874 4.350 0.003 0.000 0.284 290 T C -2.460 172.263 174.700 0.038 0.000 1.008 290 T CA -1.870 60.242 62.100 0.021 0.000 1.057 290 T CB 1.892 70.772 68.868 0.020 0.000 1.018 290 T HN -0.122 nan 8.240 nan 0.000 0.493 291 P HA 0.306 nan 4.420 nan 0.000 0.277 291 P C -0.404 176.935 177.300 0.066 0.000 1.240 291 P CA -0.708 62.434 63.100 0.071 0.000 0.798 291 P CB 0.580 32.314 31.700 0.057 0.000 0.979 292 I N 3.226 123.852 120.570 0.093 0.000 2.421 292 I HA -0.010 4.161 4.170 0.003 0.000 0.291 292 I C 1.215 177.313 176.117 -0.030 0.000 1.089 292 I CA 0.420 61.742 61.300 0.036 0.000 1.354 292 I CB -0.170 37.856 38.000 0.043 0.000 1.413 292 I HN 0.308 nan 8.210 nan 0.000 0.513 293 D N 5.208 125.610 120.400 0.004 0.000 2.194 293 D HA -0.100 4.542 4.640 0.003 0.000 0.204 293 D C 0.137 176.475 176.300 0.063 0.000 0.964 293 D CA 1.429 55.441 54.000 0.021 0.000 0.846 293 D CB 0.206 41.030 40.800 0.040 0.000 0.962 293 D HN 0.514 nan 8.370 nan 0.000 0.490 294 Y N 0.047 120.291 120.300 -0.093 0.000 2.513 294 Y HA 0.493 5.045 4.550 0.003 0.000 0.340 294 Y C -2.013 173.824 175.900 -0.105 0.000 1.055 294 Y CA -1.346 56.691 58.100 -0.106 0.000 1.020 294 Y CB 1.379 39.780 38.460 -0.099 0.000 1.301 294 Y HN -0.207 nan 8.280 nan 0.000 0.453 295 L N 6.930 127.564 121.223 -0.982 0.000 2.406 295 L HA 0.491 4.832 4.340 0.003 0.000 0.272 295 L C -1.306 174.919 176.870 -1.075 0.000 0.980 295 L CA -0.565 53.774 54.840 -0.835 0.000 0.831 295 L CB 1.123 42.917 42.059 -0.441 0.000 1.253 295 L HN 0.805 nan 8.230 nan 0.000 0.406 296 N N 3.710 121.896 118.700 -0.857 0.000 2.469 296 N HA 0.143 4.884 4.740 0.003 0.000 0.239 296 N C -0.349 175.022 175.510 -0.232 0.000 1.053 296 N CA -0.187 52.624 53.050 -0.397 0.000 0.937 296 N CB 1.068 39.468 38.487 -0.145 0.000 1.163 296 N HN 0.728 nan 8.380 nan 0.000 0.509 297 S N 2.467 118.086 115.700 -0.135 0.000 2.617 297 S HA 0.038 4.509 4.470 0.003 0.000 0.259 297 S C 1.232 175.730 174.600 -0.170 0.000 1.301 297 S CA -0.388 57.754 58.200 -0.097 0.000 0.984 297 S CB 1.280 64.523 63.200 0.072 0.000 0.954 297 S HN 0.628 nan 8.310 nan 0.000 0.572 298 E N 1.548 121.603 120.200 -0.242 0.000 2.072 298 E HA 0.044 4.396 4.350 0.003 0.000 0.191 298 E C 1.364 177.823 176.600 -0.236 0.000 0.985 298 E CA 1.175 57.373 56.400 -0.336 0.000 0.801 298 E CB -1.324 28.104 29.700 -0.454 0.000 0.750 298 E HN 1.167 nan 8.360 nan 0.000 0.452 299 G N 0.929 109.646 108.800 -0.139 0.000 2.158 299 G HA2 -0.310 3.652 3.960 0.003 0.000 0.257 299 G HA3 -0.310 3.652 3.960 0.003 0.000 0.257 299 G C 0.616 175.363 174.900 -0.254 0.000 0.811 299 G CA 0.831 45.790 45.100 -0.236 0.000 1.178 299 G HN 0.360 nan 8.290 nan 0.000 0.389 300 T N -0.453 113.988 114.554 -0.188 0.000 2.962 300 T HA 0.113 4.465 4.350 0.003 0.000 0.270 300 T C 1.652 176.328 174.700 -0.039 0.000 1.088 300 T CA 1.527 63.524 62.100 -0.172 0.000 1.127 300 T CB 0.012 68.823 68.868 -0.094 0.000 0.883 300 T HN 1.777 nan 8.240 nan 0.000 0.493 301 S N 0.987 116.645 115.700 -0.070 0.000 3.672 301 S HA -0.139 4.332 4.470 0.003 0.000 0.294 301 S C 0.239 174.885 174.600 0.077 0.000 1.200 301 S CA 0.608 58.788 58.200 -0.033 0.000 0.837 301 S CB -2.048 61.150 63.200 -0.005 0.000 0.972 301 S HN 0.921 nan 8.310 nan 0.000 0.583 302 T N -1.432 113.184 114.554 0.102 0.000 2.918 302 T HA 0.736 5.087 4.350 0.003 0.000 0.286 302 T C -1.572 173.197 174.700 0.114 0.000 1.026 302 T CA -1.481 60.710 62.100 0.150 0.000 1.031 302 T CB 1.696 70.697 68.868 0.222 0.000 1.046 302 T HN -0.049 nan 8.240 nan 0.000 0.479 303 P HA -0.081 nan 4.420 nan 0.000 0.214 303 P C 1.655 179.014 177.300 0.097 0.000 1.163 303 P CA 0.651 63.807 63.100 0.093 0.000 0.883 303 P CB -0.046 31.704 31.700 0.084 0.000 0.788 304 V N -0.491 119.487 119.914 0.108 0.000 2.407 304 V HA -0.070 4.052 4.120 0.003 0.000 0.245 304 V C 2.556 178.723 176.094 0.123 0.000 1.041 304 V CA 2.250 64.614 62.300 0.106 0.000 1.040 304 V CB -1.893 29.992 31.823 0.104 0.000 0.671 304 V HN 0.162 nan 8.190 nan 0.000 0.455 305 G N 0.351 109.238 108.800 0.145 0.000 2.480 305 G HA2 -0.283 3.679 3.960 0.003 0.000 0.216 305 G HA3 -0.283 3.679 3.960 0.003 0.000 0.216 305 G C 1.172 176.164 174.900 0.153 0.000 1.200 305 G CA 1.281 46.476 45.100 0.159 0.000 0.782 305 G HN 0.497 nan 8.290 nan 0.000 0.554 306 D N 0.193 120.671 120.400 0.129 0.000 2.106 306 D HA -0.124 4.518 4.640 0.003 0.000 0.191 306 D C 2.778 179.213 176.300 0.224 0.000 0.997 306 D CA 1.152 55.256 54.000 0.174 0.000 0.834 306 D CB -0.832 40.044 40.800 0.128 0.000 0.956 306 D HN 0.181 nan 8.370 nan 0.000 0.448 307 V N 1.275 121.287 119.914 0.164 0.000 2.252 307 V HA -0.277 3.845 4.120 0.003 0.000 0.249 307 V C 2.420 178.581 176.094 0.111 0.000 1.056 307 V CA 1.683 64.059 62.300 0.127 0.000 1.022 307 V CB -0.406 31.472 31.823 0.092 0.000 0.641 307 V HN 0.152 nan 8.190 nan 0.000 0.445 308 K N -0.030 120.433 120.400 0.105 0.000 2.001 308 K HA -0.256 4.066 4.320 0.003 0.000 0.214 308 K C 2.181 178.838 176.600 0.094 0.000 1.050 308 K CA 2.100 58.435 56.287 0.080 0.000 0.934 308 K CB -0.635 31.905 32.500 0.068 0.000 0.718 308 K HN 0.672 nan 8.250 nan 0.000 0.443 309 E N 0.843 121.139 120.200 0.159 0.000 2.085 309 E HA -0.181 4.171 4.350 0.003 0.000 0.194 309 E C 2.211 178.915 176.600 0.174 0.000 0.994 309 E CA 0.962 57.495 56.400 0.221 0.000 0.801 309 E CB -0.057 29.854 29.700 0.351 0.000 0.743 309 E HN 0.194 nan 8.360 nan 0.000 0.453 310 L N 0.290 121.607 121.223 0.155 0.000 2.042 310 L HA -0.207 4.135 4.340 0.003 0.000 0.210 310 L C 2.705 179.616 176.870 0.067 0.000 1.076 310 L CA 1.202 56.093 54.840 0.085 0.000 0.749 310 L CB -0.544 41.542 42.059 0.046 0.000 0.893 310 L HN 0.254 nan 8.230 nan 0.000 0.432 311 A N -0.181 122.679 122.820 0.065 0.000 1.930 311 A HA -0.128 4.194 4.320 0.003 0.000 0.217 311 A C 2.509 180.121 177.584 0.048 0.000 1.175 311 A CA 1.601 53.666 52.037 0.047 0.000 0.627 311 A CB -0.581 18.441 19.000 0.037 0.000 0.815 311 A HN 0.415 nan 8.150 nan 0.000 0.443 312 A N 0.017 122.870 122.820 0.054 0.000 1.930 312 A HA -0.043 4.279 4.320 0.003 0.000 0.217 312 A C 2.099 179.735 177.584 0.087 0.000 1.175 312 A CA 1.438 53.500 52.037 0.042 0.000 0.627 312 A CB -0.559 18.452 19.000 0.018 0.000 0.815 312 A HN 0.500 nan 8.150 nan 0.000 0.443 313 I N -1.270 119.386 120.570 0.145 0.000 2.202 313 I HA -0.222 3.950 4.170 0.003 0.000 0.242 313 I C 2.671 178.935 176.117 0.244 0.000 1.091 313 I CA 1.609 63.059 61.300 0.250 0.000 1.368 313 I CB -0.310 37.807 38.000 0.195 0.000 1.058 313 I HN 0.249 nan 8.210 nan 0.000 0.410 314 R N 1.398 121.976 120.500 0.130 0.000 2.091 314 R HA -0.247 4.095 4.340 0.003 0.000 0.238 314 R C 2.108 178.456 176.300 0.080 0.000 1.136 314 R CA 1.958 58.115 56.100 0.095 0.000 0.959 314 R CB -0.373 29.957 30.300 0.049 0.000 0.856 314 R HN 0.399 nan 8.270 nan 0.000 0.437 315 E N -0.931 119.300 120.200 0.052 0.000 2.072 315 E HA -0.104 4.248 4.350 0.003 0.000 0.191 315 E C 1.664 178.245 176.600 -0.030 0.000 0.985 315 E CA 1.536 57.942 56.400 0.011 0.000 0.801 315 E CB -0.038 29.662 29.700 -0.001 0.000 0.750 315 E HN 0.176 nan 8.360 nan 0.000 0.452 316 V N -0.242 119.637 119.914 -0.059 0.000 2.346 316 V HA -0.124 3.998 4.120 0.003 0.000 0.244 316 V C 1.705 177.557 176.094 -0.404 0.000 1.037 316 V CA 1.660 63.800 62.300 -0.266 0.000 1.029 316 V CB -0.468 31.107 31.823 -0.414 0.000 0.663 316 V HN 0.290 nan 8.190 nan 0.000 0.454 317 F N 0.062 120.011 119.950 -0.002 0.000 2.754 317 F HA 0.459 4.987 4.527 0.003 0.000 0.297 317 F C 1.923 177.720 175.800 -0.006 0.000 1.122 317 F CA 0.603 58.600 58.000 -0.005 0.000 1.400 317 F CB -0.597 38.399 39.000 -0.008 0.000 1.117 317 F HN 0.257 nan 8.300 nan 0.000 0.587 318 G N 1.756 110.631 108.800 0.125 0.000 2.646 318 G HA2 -0.453 3.509 3.960 0.003 0.000 0.324 318 G HA3 -0.453 3.509 3.960 0.003 0.000 0.324 318 G C 0.995 175.943 174.900 0.081 0.000 1.195 318 G CA 0.911 46.056 45.100 0.074 0.000 0.976 318 G HN 0.406 nan 8.290 nan 0.000 0.546 319 D N 0.824 121.263 120.400 0.064 0.000 2.349 319 D HA 0.095 4.737 4.640 0.003 0.000 0.214 319 D C 1.304 177.639 176.300 0.059 0.000 1.063 319 D CA 0.793 54.823 54.000 0.049 0.000 0.847 319 D CB 0.310 41.129 40.800 0.032 0.000 0.933 319 D HN 0.501 nan 8.370 nan 0.000 0.513 320 K N 1.753 122.214 120.400 0.101 0.000 3.045 320 K HA 0.137 4.459 4.320 0.003 0.000 0.214 320 K C -0.394 176.290 176.600 0.141 0.000 1.213 320 K CA -0.339 56.014 56.287 0.110 0.000 1.111 320 K CB 0.424 33.000 32.500 0.125 0.000 1.454 320 K HN 0.032 nan 8.250 nan 0.000 0.498 321 S N 0.883 116.611 115.700 0.047 0.000 2.565 321 S HA 0.468 4.940 4.470 0.003 0.000 0.274 321 S C -1.885 172.573 174.600 -0.236 0.000 1.309 321 S CA -1.130 56.996 58.200 -0.124 0.000 1.043 321 S CB 0.955 64.112 63.200 -0.072 0.000 0.939 321 S HN 0.265 nan 8.310 nan 0.000 0.504 322 P HA 0.418 nan 4.420 nan 0.000 0.279 322 P C -0.597 176.589 177.300 -0.191 0.000 1.276 322 P CA -0.680 62.234 63.100 -0.310 0.000 0.801 322 P CB 0.589 32.020 31.700 -0.447 0.000 1.127 323 A N 0.831 123.608 122.820 -0.072 0.000 2.462 323 A HA 0.437 4.759 4.320 0.003 0.000 0.243 323 A C 0.308 177.919 177.584 0.045 0.000 1.076 323 A CA -0.100 51.946 52.037 0.016 0.000 0.773 323 A CB -0.697 18.355 19.000 0.086 0.000 1.010 323 A HN 0.450 nan 8.150 nan 0.000 0.493 324 I N 1.095 121.689 120.570 0.040 0.000 2.608 324 I HA 0.576 4.748 4.170 0.003 0.000 0.295 324 I C 0.081 176.303 176.117 0.175 0.000 1.049 324 I CA -0.344 60.977 61.300 0.035 0.000 1.063 324 I CB 2.330 40.285 38.000 -0.076 0.000 1.248 324 I HN 0.610 nan 8.210 nan 0.000 0.424 325 S N 3.626 119.480 115.700 0.257 0.000 2.543 325 S HA 0.776 5.248 4.470 0.003 0.000 0.271 325 S C -1.317 173.413 174.600 0.216 0.000 1.148 325 S CA -0.473 57.892 58.200 0.274 0.000 0.914 325 S CB 1.762 65.160 63.200 0.329 0.000 1.096 325 S HN 0.736 nan 8.310 nan 0.000 0.471 326 A N 3.377 126.295 122.820 0.164 0.000 2.511 326 A HA 0.507 4.829 4.320 0.003 0.000 0.340 326 A C 1.178 178.755 177.584 -0.012 0.000 1.396 326 A CA -0.058 51.999 52.037 0.033 0.000 0.887 326 A CB -0.375 18.550 19.000 -0.124 0.000 1.145 326 A HN 1.174 nan 8.150 nan 0.000 0.497 327 T N -0.390 114.165 114.554 0.002 0.000 2.977 327 T HA -0.132 4.220 4.350 0.003 0.000 0.271 327 T C 1.365 176.015 174.700 -0.084 0.000 1.105 327 T CA 1.360 63.425 62.100 -0.059 0.000 1.116 327 T CB -0.347 68.463 68.868 -0.097 0.000 0.878 327 T HN 0.609 nan 8.240 nan 0.000 0.509 328 K N 1.108 121.459 120.400 -0.082 0.000 2.442 328 K HA 0.161 4.483 4.320 0.003 0.000 0.198 328 K C 2.521 179.079 176.600 -0.070 0.000 1.044 328 K CA 0.780 57.013 56.287 -0.090 0.000 0.948 328 K CB -0.314 32.088 32.500 -0.164 0.000 0.762 328 K HN 0.511 nan 8.250 nan 0.000 0.472 329 A N 1.459 124.233 122.820 -0.078 0.000 2.015 329 A HA -0.143 4.178 4.320 0.003 0.000 0.219 329 A C 2.033 179.588 177.584 -0.048 0.000 1.163 329 A CA 1.365 53.364 52.037 -0.064 0.000 0.646 329 A CB -0.367 18.595 19.000 -0.064 0.000 0.806 329 A HN 0.401 nan 8.150 nan 0.000 0.448 330 M N -2.446 117.118 119.600 -0.060 0.000 2.491 330 M HA 0.124 4.606 4.480 0.003 0.000 0.259 330 M C 1.646 177.913 176.300 -0.054 0.000 1.163 330 M CA 1.367 56.632 55.300 -0.058 0.000 1.109 330 M CB -0.316 32.237 32.600 -0.078 0.000 1.353 330 M HN 0.228 nan 8.290 nan 0.000 0.500 331 T N -1.987 112.530 114.554 -0.061 0.000 3.037 331 T HA 0.562 4.914 4.350 0.003 0.000 0.252 331 T C 1.120 175.831 174.700 0.019 0.000 1.073 331 T CA 0.522 62.604 62.100 -0.030 0.000 1.091 331 T CB -0.065 68.791 68.868 -0.021 0.000 0.935 331 T HN 0.762 nan 8.240 nan 0.000 0.488 332 G N 1.063 109.880 108.800 0.030 0.000 2.698 332 G HA2 -0.075 3.887 3.960 0.003 0.000 0.225 332 G HA3 -0.075 3.887 3.960 0.003 0.000 0.225 332 G C -0.999 173.951 174.900 0.082 0.000 1.345 332 G CA -0.352 44.801 45.100 0.089 0.000 0.871 332 G HN 0.800 nan 8.290 nan 0.000 0.540 333 H N 0.709 119.777 119.070 -0.003 0.000 2.638 333 H HA 0.619 5.177 4.556 0.003 0.000 0.303 333 H C 1.521 176.767 175.328 -0.137 0.000 1.034 333 H CA 0.017 55.967 56.048 -0.163 0.000 1.225 333 H CB 0.853 30.321 29.762 -0.491 0.000 1.394 333 H HN 0.873 nan 8.280 nan 0.000 0.477 334 S N 4.828 120.648 115.700 0.200 0.000 2.701 334 S HA 0.098 4.569 4.470 0.003 0.000 0.220 334 S C 1.366 175.965 174.600 -0.002 0.000 0.954 334 S CA 0.057 58.289 58.200 0.054 0.000 0.936 334 S CB -0.597 62.611 63.200 0.013 0.000 0.777 334 S HN 0.710 nan 8.310 nan 0.000 0.518 335 L N 0.037 121.201 121.223 -0.098 0.000 4.990 335 L HA -0.357 3.985 4.340 0.003 0.000 0.053 335 L C 2.281 179.123 176.870 -0.047 0.000 3.174 335 L CA 1.520 56.187 54.840 -0.290 0.000 1.483 335 L CB -2.091 39.782 42.059 -0.309 0.000 2.968 335 L HN 0.434 nan 8.230 nan 0.000 0.908 336 G N -1.081 107.705 108.800 -0.024 0.000 2.501 336 G HA2 0.040 4.002 3.960 0.003 0.000 0.220 336 G HA3 0.040 4.002 3.960 0.003 0.000 0.220 336 G C 1.209 176.118 174.900 0.015 0.000 1.114 336 G CA 1.259 46.370 45.100 0.018 0.000 0.757 336 G HN 0.854 nan 8.290 nan 0.000 0.559 337 A N 0.047 122.871 122.820 0.006 0.000 2.267 337 A HA 0.690 5.012 4.320 0.003 0.000 0.213 337 A C 2.484 180.038 177.584 -0.050 0.000 1.192 337 A CA 1.197 53.225 52.037 -0.015 0.000 0.851 337 A CB -0.114 18.881 19.000 -0.009 0.000 0.881 337 A HN 0.493 nan 8.150 nan 0.000 0.494 338 A N 0.252 123.056 122.820 -0.027 0.000 1.908 338 A HA 0.088 4.409 4.320 0.003 0.000 0.218 338 A C 2.316 179.822 177.584 -0.129 0.000 1.181 338 A CA 1.982 53.981 52.037 -0.064 0.000 0.627 338 A CB -1.291 17.686 19.000 -0.038 0.000 0.818 338 A HN 0.669 nan 8.150 nan 0.000 0.445 339 G N -0.766 107.967 108.800 -0.113 0.000 2.511 339 G HA2 -0.202 3.760 3.960 0.003 0.000 0.216 339 G HA3 -0.202 3.760 3.960 0.003 0.000 0.216 339 G C 1.667 176.468 174.900 -0.165 0.000 1.218 339 G CA 1.441 46.457 45.100 -0.140 0.000 0.788 339 G HN 0.659 nan 8.290 nan 0.000 0.560 340 V N 0.318 120.143 119.914 -0.148 0.000 2.407 340 V HA -0.167 3.954 4.120 0.003 0.000 0.248 340 V C 2.772 178.707 176.094 -0.265 0.000 1.055 340 V CA 2.711 64.907 62.300 -0.174 0.000 1.049 340 V CB -0.339 31.405 31.823 -0.130 0.000 0.662 340 V HN 0.547 nan 8.190 nan 0.000 0.455 341 Q N -0.459 119.155 119.800 -0.310 0.000 2.050 341 Q HA -0.249 4.093 4.340 0.003 0.000 0.202 341 Q C 2.217 177.629 176.000 -0.980 0.000 0.980 341 Q CA 2.227 57.687 55.803 -0.572 0.000 0.840 341 Q CB -0.156 28.317 28.738 -0.442 0.000 0.898 341 Q HN 0.724 nan 8.270 nan 0.000 0.424 342 E N 0.324 120.187 120.200 -0.562 0.000 2.150 342 E HA -0.144 4.208 4.350 0.003 0.000 0.193 342 E C 1.920 178.382 176.600 -0.230 0.000 0.985 342 E CA 0.756 56.970 56.400 -0.310 0.000 0.814 342 E CB -0.069 29.568 29.700 -0.106 0.000 0.752 342 E HN 0.341 nan 8.360 nan 0.000 0.466 343 A N 1.122 123.797 122.820 -0.241 0.000 1.902 343 A HA -0.185 4.137 4.320 0.003 0.000 0.217 343 A C 2.155 179.626 177.584 -0.189 0.000 1.181 343 A CA 1.096 53.029 52.037 -0.174 0.000 0.623 343 A CB -0.550 18.349 19.000 -0.169 0.000 0.818 343 A HN 0.150 nan 8.150 nan 0.000 0.443 344 I N -1.509 118.883 120.570 -0.297 0.000 2.226 344 I HA -0.272 3.900 4.170 0.003 0.000 0.245 344 I C 2.343 178.376 176.117 -0.139 0.000 1.100 344 I CA 1.221 62.360 61.300 -0.268 0.000 1.374 344 I CB -0.417 37.394 38.000 -0.316 0.000 1.057 344 I HN 0.385 nan 8.210 nan 0.000 0.413 345 Y N 0.855 121.127 120.300 -0.048 0.000 2.128 345 Y HA -0.238 4.314 4.550 0.003 0.000 0.284 345 Y C 2.949 178.826 175.900 -0.038 0.000 1.154 345 Y CA 1.100 59.185 58.100 -0.025 0.000 1.149 345 Y CB -1.422 37.031 38.460 -0.012 0.000 0.976 345 Y HN 0.119 nan 8.280 nan 0.000 0.505 346 S N 0.119 115.899 115.700 0.134 0.000 2.382 346 S HA -0.141 4.330 4.470 0.003 0.000 0.228 346 S C 2.142 176.760 174.600 0.031 0.000 1.027 346 S CA 1.211 59.478 58.200 0.111 0.000 0.991 346 S CB -0.642 62.620 63.200 0.103 0.000 0.823 346 S HN 0.360 nan 8.310 nan 0.000 0.469 347 L N 0.853 122.070 121.223 -0.011 0.000 2.141 347 L HA -0.021 4.320 4.340 0.003 0.000 0.209 347 L C 2.141 179.043 176.870 0.054 0.000 1.094 347 L CA 0.844 55.673 54.840 -0.018 0.000 0.763 347 L CB -0.534 41.436 42.059 -0.147 0.000 0.908 347 L HN 0.279 nan 8.230 nan 0.000 0.437 348 L N -1.118 120.151 121.223 0.076 0.000 2.141 348 L HA -0.177 4.165 4.340 0.003 0.000 0.209 348 L C 2.590 179.564 176.870 0.174 0.000 1.094 348 L CA 1.125 56.106 54.840 0.236 0.000 0.763 348 L CB -0.291 41.919 42.059 0.251 0.000 0.908 348 L HN 0.303 nan 8.230 nan 0.000 0.437 349 M N -0.897 118.598 119.600 -0.175 0.000 2.175 349 M HA -0.206 4.276 4.480 0.003 0.000 0.264 349 M C 2.228 178.382 176.300 -0.244 0.000 1.063 349 M CA 1.541 56.446 55.300 -0.659 0.000 1.119 349 M CB -0.141 31.993 32.600 -0.777 0.000 1.377 349 M HN 0.218 nan 8.290 nan 0.000 0.415 350 L N 0.390 121.575 121.223 -0.065 0.000 2.023 350 L HA -0.130 4.212 4.340 0.003 0.000 0.205 350 L C 2.264 179.169 176.870 0.059 0.000 1.073 350 L CA 1.938 56.783 54.840 0.008 0.000 0.745 350 L CB -0.555 41.526 42.059 0.037 0.000 0.900 350 L HN 0.174 nan 8.230 nan 0.000 0.435 351 E N -1.098 119.175 120.200 0.122 0.000 2.110 351 E HA -0.227 4.125 4.350 0.003 0.000 0.193 351 E C 1.800 178.357 176.600 -0.072 0.000 0.988 351 E CA 1.657 58.113 56.400 0.093 0.000 0.804 351 E CB -0.151 29.718 29.700 0.281 0.000 0.745 351 E HN 0.642 nan 8.360 nan 0.000 0.458 352 H N -1.496 117.695 119.070 0.201 0.000 2.586 352 H HA 0.281 4.838 4.556 0.003 0.000 0.273 352 H C 0.532 176.018 175.328 0.264 0.000 0.997 352 H CA 0.507 56.703 56.048 0.247 0.000 1.177 352 H CB 0.688 30.661 29.762 0.352 0.000 1.471 352 H HN 0.265 nan 8.280 nan 0.000 0.538 353 G N 1.948 110.891 108.800 0.238 0.000 2.353 353 G HA2 -0.239 3.723 3.960 0.003 0.000 0.294 353 G HA3 -0.239 3.723 3.960 0.003 0.000 0.294 353 G C -0.256 174.788 174.900 0.241 0.000 1.077 353 G CA 0.621 45.819 45.100 0.163 0.000 1.098 353 G HN 0.500 nan 8.290 nan 0.000 0.511 354 F N -1.945 117.991 119.950 -0.024 0.000 2.741 354 F HA 0.799 5.328 4.527 0.003 0.000 0.311 354 F C -0.990 174.704 175.800 -0.177 0.000 1.149 354 F CA -2.203 55.753 58.000 -0.073 0.000 0.930 354 F CB 1.078 40.049 39.000 -0.047 0.000 1.312 354 F HN 0.083 nan 8.300 nan 0.000 0.450 355 I N 2.640 123.062 120.570 -0.246 0.000 2.406 355 I HA 0.632 4.803 4.170 0.003 0.000 0.290 355 I C 0.047 176.062 176.117 -0.170 0.000 0.999 355 I CA -1.126 59.869 61.300 -0.509 0.000 1.124 355 I CB 1.723 39.492 38.000 -0.385 0.000 1.289 355 I HN 0.966 nan 8.210 nan 0.000 0.441 356 A N 9.224 131.887 122.820 -0.262 0.000 2.425 356 A HA 0.531 4.853 4.320 0.003 0.000 0.249 356 A C -2.296 175.284 177.584 -0.007 0.000 1.084 356 A CA -1.070 50.983 52.037 0.026 0.000 0.781 356 A CB -0.264 18.735 19.000 -0.002 0.000 1.019 356 A HN 0.430 nan 8.150 nan 0.000 0.490 357 P HA 0.144 nan 4.420 nan 0.000 0.274 357 P C -0.293 177.027 177.300 0.032 0.000 1.256 357 P CA -0.303 62.812 63.100 0.025 0.000 0.795 357 P CB 0.937 32.648 31.700 0.018 0.000 1.038 358 S N 0.570 116.303 115.700 0.054 0.000 2.488 358 S HA 0.413 4.885 4.470 0.003 0.000 0.310 358 S C 0.501 175.128 174.600 0.045 0.000 1.093 358 S CA -0.781 57.461 58.200 0.071 0.000 1.129 358 S CB -1.243 62.050 63.200 0.155 0.000 0.989 358 S HN 0.329 nan 8.310 nan 0.000 0.479 359 I N 1.792 122.369 120.570 0.012 0.000 3.276 359 I HA 0.467 4.639 4.170 0.003 0.000 0.306 359 I C 0.482 176.595 176.117 -0.008 0.000 1.060 359 I CA -0.499 60.801 61.300 0.000 0.000 1.133 359 I CB 0.160 38.151 38.000 -0.016 0.000 1.473 359 I HN 0.760 nan 8.210 nan 0.000 0.649 360 N N 0.175 118.865 118.700 -0.016 0.000 2.714 360 N HA -0.178 4.564 4.740 0.003 0.000 0.250 360 N C -0.705 174.798 175.510 -0.011 0.000 1.117 360 N CA 0.407 53.437 53.050 -0.034 0.000 0.719 360 N CB -1.302 37.140 38.487 -0.075 0.000 1.081 360 N HN 0.468 nan 8.380 nan 0.000 0.557 361 I N 0.922 121.505 120.570 0.022 0.000 2.316 361 I HA 0.066 4.238 4.170 0.003 0.000 0.286 361 I C 1.159 177.307 176.117 0.051 0.000 1.107 361 I CA -0.067 61.263 61.300 0.051 0.000 1.219 361 I CB 0.673 38.720 38.000 0.079 0.000 1.455 361 I HN 0.155 nan 8.210 nan 0.000 0.498 362 E N 3.342 123.577 120.200 0.059 0.000 2.170 362 E HA -0.022 4.329 4.350 0.003 0.000 0.191 362 E C 0.530 177.181 176.600 0.086 0.000 0.981 362 E CA 0.607 57.046 56.400 0.066 0.000 0.830 362 E CB 0.493 30.233 29.700 0.067 0.000 0.775 362 E HN 0.497 nan 8.360 nan 0.000 0.470 363 E N 1.013 121.277 120.200 0.107 0.000 2.528 363 E HA 0.138 4.490 4.350 0.003 0.000 0.277 363 E C -1.388 175.252 176.600 0.067 0.000 0.980 363 E CA -0.504 55.953 56.400 0.096 0.000 0.796 363 E CB 0.826 30.616 29.700 0.150 0.000 1.427 363 E HN -0.053 nan 8.360 nan 0.000 0.394 364 L N 3.603 124.860 121.223 0.057 0.000 2.525 364 L HA 0.121 4.463 4.340 0.003 0.000 0.278 364 L C -0.021 176.873 176.870 0.040 0.000 1.218 364 L CA 0.719 55.594 54.840 0.058 0.000 0.878 364 L CB 0.689 42.770 42.059 0.037 0.000 1.127 364 L HN 0.562 nan 8.230 nan 0.000 0.492 365 D N 2.192 122.627 120.400 0.058 0.000 2.414 365 D HA -0.001 4.641 4.640 0.003 0.000 0.242 365 D C 0.951 177.265 176.300 0.023 0.000 1.129 365 D CA 0.286 54.310 54.000 0.040 0.000 0.885 365 D CB 0.842 41.690 40.800 0.079 0.000 1.198 365 D HN 0.698 nan 8.370 nan 0.000 0.437 366 E N 1.156 121.365 120.200 0.014 0.000 2.187 366 E HA -0.299 4.053 4.350 0.003 0.000 0.199 366 E C 1.714 178.317 176.600 0.007 0.000 1.004 366 E CA 0.969 57.375 56.400 0.009 0.000 0.813 366 E CB 0.053 29.759 29.700 0.010 0.000 0.736 366 E HN 0.541 nan 8.360 nan 0.000 0.468 367 Q N 0.052 119.861 119.800 0.015 0.000 2.084 367 Q HA -0.091 4.251 4.340 0.003 0.000 0.202 367 Q C 1.945 177.932 176.000 -0.022 0.000 0.978 367 Q CA 1.426 57.235 55.803 0.010 0.000 0.844 367 Q CB -0.306 28.453 28.738 0.034 0.000 0.898 367 Q HN 0.289 nan 8.270 nan 0.000 0.426 368 A N 0.716 123.505 122.820 -0.052 0.000 2.276 368 A HA 0.361 4.682 4.320 0.003 0.000 0.212 368 A C 2.052 179.585 177.584 -0.084 0.000 1.230 368 A CA 0.752 52.714 52.037 -0.125 0.000 0.844 368 A CB -0.408 18.430 19.000 -0.269 0.000 0.860 368 A HN 0.289 nan 8.150 nan 0.000 0.486 369 A N -0.308 122.486 122.820 -0.042 0.000 1.958 369 A HA -0.038 4.283 4.320 0.003 0.000 0.221 369 A C 2.144 179.710 177.584 -0.030 0.000 1.178 369 A CA 2.097 54.117 52.037 -0.027 0.000 0.642 369 A CB -0.752 18.241 19.000 -0.012 0.000 0.816 369 A HN 0.761 nan 8.150 nan 0.000 0.453 370 G N -1.355 107.424 108.800 -0.034 0.000 2.656 370 G HA2 0.367 4.328 3.960 0.003 0.000 0.211 370 G HA3 0.367 4.328 3.960 0.003 0.000 0.211 370 G C 0.594 175.469 174.900 -0.042 0.000 1.137 370 G CA -0.159 44.924 45.100 -0.029 0.000 0.802 370 G HN 0.392 nan 8.290 nan 0.000 0.527 371 L N 1.040 122.223 121.223 -0.067 0.000 2.467 371 L HA 0.203 4.544 4.340 0.003 0.000 0.270 371 L C 0.337 177.155 176.870 -0.087 0.000 1.205 371 L CA -0.641 54.146 54.840 -0.088 0.000 0.828 371 L CB 0.542 42.519 42.059 -0.136 0.000 1.101 371 L HN 0.019 nan 8.230 nan 0.000 0.479 372 N N 3.016 121.670 118.700 -0.078 0.000 2.807 372 N HA 0.160 4.902 4.740 0.003 0.000 0.259 372 N C -0.804 174.673 175.510 -0.055 0.000 1.149 372 N CA -0.296 52.721 53.050 -0.055 0.000 1.042 372 N CB 0.048 38.512 38.487 -0.039 0.000 1.367 372 N HN 0.315 nan 8.380 nan 0.000 0.516 373 I N 3.522 124.052 120.570 -0.067 0.000 2.322 373 I HA 0.124 4.295 4.170 0.003 0.000 0.292 373 I C 0.150 176.273 176.117 0.010 0.000 1.060 373 I CA -0.711 60.561 61.300 -0.047 0.000 1.309 373 I CB 0.562 38.507 38.000 -0.091 0.000 1.415 373 I HN 0.102 nan 8.210 nan 0.000 0.492 374 V N 7.190 127.128 119.914 0.041 0.000 2.479 374 V HA 0.083 4.205 4.120 0.003 0.000 0.281 374 V C 1.431 177.552 176.094 0.044 0.000 1.031 374 V CA 0.086 62.408 62.300 0.037 0.000 1.038 374 V CB 0.612 32.455 31.823 0.033 0.000 0.981 374 V HN 0.916 nan 8.190 nan 0.000 0.478 375 T N 0.716 115.289 114.554 0.031 0.000 3.054 375 T HA 0.259 4.611 4.350 0.003 0.000 0.255 375 T C 0.231 174.943 174.700 0.021 0.000 1.035 375 T CA -0.126 61.992 62.100 0.032 0.000 0.941 375 T CB -0.047 68.839 68.868 0.030 0.000 1.026 375 T HN 0.808 nan 8.240 nan 0.000 0.533 376 E N 0.593 120.803 120.200 0.017 0.000 2.331 376 E HA 0.481 4.833 4.350 0.003 0.000 0.275 376 E C -1.365 175.245 176.600 0.017 0.000 0.895 376 E CA -1.098 55.309 56.400 0.012 0.000 0.753 376 E CB 0.876 30.580 29.700 0.007 0.000 1.216 376 E HN -0.119 nan 8.360 nan 0.000 0.434 377 T N 2.546 117.111 114.554 0.018 0.000 2.800 377 T HA 0.081 4.433 4.350 0.003 0.000 0.283 377 T C -0.399 174.325 174.700 0.041 0.000 0.999 377 T CA 0.406 62.532 62.100 0.043 0.000 1.176 377 T CB -0.044 68.825 68.868 0.002 0.000 0.973 377 T HN 0.464 nan 8.240 nan 0.000 0.519 378 T N 4.179 118.773 114.554 0.067 0.000 2.840 378 T HA 0.247 4.598 4.350 0.003 0.000 0.287 378 T C -0.395 174.354 174.700 0.082 0.000 0.991 378 T CA -0.931 61.197 62.100 0.047 0.000 0.964 378 T CB 1.205 70.083 68.868 0.016 0.000 0.954 378 T HN 0.444 nan 8.240 nan 0.000 0.438 379 D N 2.807 123.250 120.400 0.072 0.000 2.351 379 D HA 0.411 5.053 4.640 0.003 0.000 0.251 379 D C 0.348 176.682 176.300 0.057 0.000 1.137 379 D CA 0.135 54.190 54.000 0.092 0.000 0.879 379 D CB 1.003 41.839 40.800 0.060 0.000 1.181 379 D HN 0.414 nan 8.370 nan 0.000 0.448 380 R N 1.253 121.788 120.500 0.058 0.000 2.633 380 R HA 0.058 4.400 4.340 0.003 0.000 0.255 380 R C -1.242 175.072 176.300 0.023 0.000 1.106 380 R CA -0.578 55.538 56.100 0.026 0.000 0.959 380 R CB 1.107 31.408 30.300 0.002 0.000 1.259 380 R HN 0.261 nan 8.270 nan 0.000 0.453 381 E N 5.645 125.858 120.200 0.021 0.000 2.029 381 E HA 0.109 4.461 4.350 0.003 0.000 0.276 381 E C -0.162 176.445 176.600 0.011 0.000 1.163 381 E CA 0.006 56.417 56.400 0.019 0.000 0.909 381 E CB 0.530 30.241 29.700 0.017 0.000 1.046 381 E HN 0.318 nan 8.360 nan 0.000 0.406 382 L N 1.846 123.073 121.223 0.006 0.000 2.399 382 L HA 0.209 4.550 4.340 0.003 0.000 0.266 382 L C 1.141 178.020 176.870 0.016 0.000 1.114 382 L CA -0.152 54.693 54.840 0.009 0.000 0.804 382 L CB 0.977 43.035 42.059 -0.003 0.000 1.146 382 L HN 0.468 nan 8.230 nan 0.000 0.451 383 T N -1.696 112.871 114.554 0.022 0.000 3.010 383 T HA 0.102 4.454 4.350 0.003 0.000 0.252 383 T C 0.188 174.903 174.700 0.025 0.000 0.963 383 T CA 0.210 62.322 62.100 0.020 0.000 0.952 383 T CB 0.709 69.587 68.868 0.017 0.000 1.182 383 T HN 0.608 nan 8.240 nan 0.000 0.495 384 T N 2.567 117.141 114.554 0.032 0.000 2.991 384 T HA 0.662 5.013 4.350 0.003 0.000 0.303 384 T C -0.997 173.728 174.700 0.041 0.000 1.015 384 T CA -0.699 61.422 62.100 0.034 0.000 1.007 384 T CB 2.213 71.102 68.868 0.035 0.000 1.034 384 T HN 0.216 nan 8.240 nan 0.000 0.446 385 V N 0.998 120.935 119.914 0.037 0.000 2.962 385 V HA 0.893 5.015 4.120 0.003 0.000 0.313 385 V C -0.808 175.274 176.094 -0.019 0.000 1.099 385 V CA -1.198 61.118 62.300 0.026 0.000 0.971 385 V CB 2.269 34.151 31.823 0.098 0.000 1.028 385 V HN 0.975 nan 8.190 nan 0.000 0.430 386 M N 2.572 122.114 119.600 -0.097 0.000 2.530 386 M HA 0.746 5.228 4.480 0.003 0.000 0.307 386 M C -1.061 175.149 176.300 -0.151 0.000 1.161 386 M CA -0.268 54.985 55.300 -0.078 0.000 0.903 386 M CB 2.283 34.871 32.600 -0.019 0.000 1.711 386 M HN 0.923 nan 8.290 nan 0.000 0.451 387 S N 2.829 118.465 115.700 -0.107 0.000 2.594 387 S HA 0.575 5.046 4.470 0.003 0.000 0.296 387 S C -1.328 173.176 174.600 -0.160 0.000 1.124 387 S CA -0.783 57.328 58.200 -0.148 0.000 1.011 387 S CB 0.940 64.062 63.200 -0.129 0.000 1.016 387 S HN 0.807 nan 8.310 nan 0.000 0.485 388 N N 2.029 120.580 118.700 -0.247 0.000 2.430 388 N HA 0.506 5.248 4.740 0.003 0.000 0.292 388 N C -1.288 173.838 175.510 -0.641 0.000 1.051 388 N CA -0.343 52.447 53.050 -0.432 0.000 0.917 388 N CB 1.784 39.946 38.487 -0.541 0.000 1.164 388 N HN 0.424 nan 8.380 nan 0.000 0.484 389 S N 1.933 117.215 115.700 -0.697 0.000 2.789 389 S HA 0.502 4.974 4.470 0.003 0.000 0.286 389 S C -1.139 173.253 174.600 -0.346 0.000 1.153 389 S CA -0.640 57.248 58.200 -0.520 0.000 1.084 389 S CB 0.148 63.178 63.200 -0.284 0.000 1.036 389 S HN 0.268 nan 8.310 nan 0.000 0.484 390 F N 1.209 121.142 119.950 -0.029 0.000 2.492 390 F HA 0.915 5.443 4.527 0.003 0.000 0.327 390 F C 0.881 176.699 175.800 0.031 0.000 1.079 390 F CA -1.044 56.969 58.000 0.021 0.000 0.967 390 F CB 1.542 40.565 39.000 0.038 0.000 1.169 390 F HN 0.628 nan 8.300 nan 0.000 0.472 391 G N 0.338 109.303 108.800 0.275 0.000 2.866 391 G HA2 0.586 4.547 3.960 0.003 0.000 0.289 391 G HA3 0.586 4.547 3.960 0.003 0.000 0.289 391 G C -1.660 173.419 174.900 0.300 0.000 1.396 391 G CA -0.738 44.461 45.100 0.164 0.000 0.848 391 G HN 0.177 nan 8.290 nan 0.000 0.515 392 F N 0.452 120.499 119.950 0.162 0.000 2.506 392 F HA 0.452 4.980 4.527 0.003 0.000 0.351 392 F C 1.616 177.480 175.800 0.108 0.000 1.136 392 F CA 0.587 58.669 58.000 0.136 0.000 1.298 392 F CB 0.862 39.946 39.000 0.140 0.000 1.145 392 F HN 1.131 nan 8.300 nan 0.000 0.593 393 G N 0.704 109.665 108.800 0.268 0.000 2.141 393 G HA2 0.035 3.997 3.960 0.003 0.000 0.242 393 G HA3 0.035 3.997 3.960 0.003 0.000 0.242 393 G C 0.878 175.855 174.900 0.129 0.000 0.982 393 G CA 0.310 45.501 45.100 0.152 0.000 0.662 393 G HN 1.850 nan 8.290 nan 0.000 0.527 394 G N -1.102 107.791 108.800 0.155 0.000 2.273 394 G HA2 0.048 4.009 3.960 0.003 0.000 0.280 394 G HA3 0.048 4.009 3.960 0.003 0.000 0.280 394 G C 0.383 175.354 174.900 0.118 0.000 1.047 394 G CA 1.345 46.513 45.100 0.113 0.000 0.869 394 G HN 1.917 nan 8.290 nan 0.000 0.502 395 T N 0.515 115.175 114.554 0.176 0.000 2.771 395 T HA 0.534 4.886 4.350 0.003 0.000 0.291 395 T C 0.029 174.905 174.700 0.293 0.000 0.954 395 T CA -0.583 61.645 62.100 0.213 0.000 1.045 395 T CB 0.225 69.223 68.868 0.216 0.000 0.917 395 T HN 0.311 nan 8.240 nan 0.000 0.484 396 N N 3.250 122.131 118.700 0.302 0.000 2.314 396 N HA 0.659 5.401 4.740 0.003 0.000 0.294 396 N C -1.171 174.514 175.510 0.292 0.000 1.029 396 N CA -0.534 52.723 53.050 0.346 0.000 0.845 396 N CB 2.046 40.633 38.487 0.167 0.000 1.321 396 N HN 0.728 nan 8.380 nan 0.000 0.481 397 A N 1.156 124.057 122.820 0.135 0.000 2.414 397 A HA 0.813 5.135 4.320 0.003 0.000 0.306 397 A C -0.633 176.957 177.584 0.011 0.000 1.054 397 A CA -0.462 51.503 52.037 -0.119 0.000 0.724 397 A CB 1.464 20.010 19.000 -0.756 0.000 1.267 397 A HN 0.447 nan 8.150 nan 0.000 0.418 398 T N 1.686 116.286 114.554 0.077 0.000 2.933 398 T HA 0.654 5.006 4.350 0.003 0.000 0.305 398 T C -1.041 173.732 174.700 0.123 0.000 1.092 398 T CA -0.272 61.871 62.100 0.072 0.000 1.008 398 T CB 1.077 70.010 68.868 0.109 0.000 1.102 398 T HN 0.531 nan 8.240 nan 0.000 0.469 399 L N 2.044 123.302 121.223 0.057 0.000 2.422 399 L HA 0.827 5.169 4.340 0.003 0.000 0.264 399 L C -1.132 175.758 176.870 0.033 0.000 0.984 399 L CA -1.097 53.780 54.840 0.062 0.000 0.819 399 L CB 2.369 44.423 42.059 -0.009 0.000 1.330 399 L HN 0.342 nan 8.230 nan 0.000 0.410 400 V N 3.238 123.180 119.914 0.047 0.000 2.577 400 V HA 0.542 4.664 4.120 0.003 0.000 0.303 400 V C -0.357 175.752 176.094 0.025 0.000 1.042 400 V CA -0.328 61.994 62.300 0.036 0.000 0.872 400 V CB 1.969 33.826 31.823 0.057 0.000 0.998 400 V HN 0.701 nan 8.190 nan 0.000 0.423 401 M N 4.761 124.370 119.600 0.014 0.000 2.535 401 M HA 0.729 5.210 4.480 0.003 0.000 0.314 401 M C -0.539 175.772 176.300 0.018 0.000 1.153 401 M CA -0.465 54.841 55.300 0.010 0.000 0.924 401 M CB 2.636 35.234 32.600 -0.002 0.000 1.710 401 M HN 0.604 nan 8.290 nan 0.000 0.451 402 R N 0.956 121.465 120.500 0.016 0.000 2.668 402 R HA 0.480 4.821 4.340 0.003 0.000 0.272 402 R C -1.284 175.023 176.300 0.011 0.000 1.019 402 R CA -0.804 55.307 56.100 0.017 0.000 0.894 402 R CB 2.079 32.389 30.300 0.017 0.000 1.228 402 R HN 0.688 nan 8.270 nan 0.000 0.460 403 K N 1.889 122.296 120.400 0.011 0.000 2.286 403 K HA 0.145 4.467 4.320 0.003 0.000 0.256 403 K C -0.206 176.391 176.600 -0.005 0.000 0.999 403 K CA -0.053 56.235 56.287 0.002 0.000 0.908 403 K CB 0.419 32.921 32.500 0.003 0.000 0.981 403 K HN 0.402 nan 8.250 nan 0.000 0.500 404 L N 2.552 123.765 121.223 -0.016 0.000 2.312 404 L HA 0.092 4.434 4.340 0.003 0.000 0.281 404 L C 0.648 177.510 176.870 -0.013 0.000 1.070 404 L CA -0.407 54.422 54.840 -0.018 0.000 0.805 404 L CB 1.162 43.203 42.059 -0.030 0.000 1.174 404 L HN 0.633 nan 8.230 nan 0.000 0.434 405 K N 2.386 122.781 120.400 -0.010 0.000 2.981 405 K HA 0.613 4.935 4.320 0.003 0.000 0.308 405 K C 0.132 176.727 176.600 -0.009 0.000 1.089 405 K CA 0.474 56.756 56.287 -0.007 0.000 1.362 405 K CB -0.373 32.124 32.500 -0.005 0.000 1.631 405 K HN 0.634 nan 8.250 nan 0.000 0.547 406 D N 0.000 120.395 120.400 -0.008 0.000 6.856 406 D HA 0.000 4.642 4.640 0.003 0.000 0.175 406 D CA 0.000 nan 54.000 nan 0.000 0.868 406 D CB 0.000 nan 40.800 nan 0.000 0.688 406 D HN 0.000 nan 8.370 nan 0.000 0.683