REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1h4f_1_D DATA FIRST_RESID 1 DATA SEQUENCE MKRAVITGLG IVSSIGNNQQ EVLASLREGR SGITFSQELK DSGMRSHVWG DATA SEQUENCE NVKLDTTGLI DRKVVRFMSD ASIYAFLSME QAIADAGLSP EAYQNNPRVG DATA SEQUENCE LIAGSGGGSP RFQVFGADAM RGPRGLKAVG PYVVTKAMAS GVSACLATPF DATA SEQUENCE KIHGVNYSIS SACATSAHCI GNAVEQIQLG KQDIVFAGGG EELCWEMACE DATA SEQUENCE FDAMGALSTK YNDTPEKASR TYDAHRDGFV IAGGGGMVVV EELEHALARG DATA SEQUENCE AHIYAEIVGY GATSDGADMV APSGEGAVRC MKMAMHGVDT PIDYLNSHGT DATA SEQUENCE STPVGDVKEL AAIREVFGDK SPAISATRAM TGHSLGAAGV QEAIYSLLML DATA SEQUENCE EHGFIAPSIN IEELDEQAAG LNIVTETTDR ELTTVMSNSF GFGGTNATLV DATA SEQUENCE MRKLKD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.309 176.300 0.015 0.000 1.140 1 M CA 0.000 55.311 55.300 0.018 0.000 0.988 1 M CB 0.000 32.609 32.600 0.015 0.000 1.302 2 K N 2.440 122.848 120.400 0.013 0.000 2.319 2 K HA 0.300 4.620 4.320 -0.000 0.000 0.265 2 K C -0.342 176.262 176.600 0.008 0.000 1.000 2 K CA 0.166 56.459 56.287 0.009 0.000 0.943 2 K CB 0.457 32.959 32.500 0.004 0.000 0.950 2 K HN 0.407 nan 8.250 nan 0.000 0.485 3 R N 0.106 120.608 120.500 0.004 0.000 2.604 3 R HA 0.577 4.917 4.340 -0.000 0.000 0.287 3 R C -0.522 175.772 176.300 -0.009 0.000 0.970 3 R CA -0.740 55.361 56.100 0.001 0.000 0.946 3 R CB 1.745 32.046 30.300 0.001 0.000 1.127 3 R HN 0.660 nan 8.270 nan 0.000 0.473 4 A N 1.858 124.669 122.820 -0.014 0.000 2.342 4 A HA 0.674 4.994 4.320 -0.000 0.000 0.323 4 A C -0.509 177.057 177.584 -0.029 0.000 1.125 4 A CA -0.678 51.341 52.037 -0.031 0.000 0.785 4 A CB 1.254 20.227 19.000 -0.045 0.000 1.221 4 A HN 0.528 nan 8.150 nan 0.000 0.463 5 V N -0.266 119.627 119.914 -0.035 0.000 3.102 5 V HA 0.727 4.847 4.120 -0.000 0.000 0.312 5 V C -0.802 175.275 176.094 -0.027 0.000 1.135 5 V CA -1.054 61.230 62.300 -0.025 0.000 1.022 5 V CB 1.826 33.635 31.823 -0.023 0.000 1.056 5 V HN 0.630 nan 8.190 nan 0.000 0.436 6 I N 2.988 123.561 120.570 0.005 0.000 2.312 6 I HA 0.418 4.588 4.170 -0.000 0.000 0.290 6 I C 1.109 177.312 176.117 0.144 0.000 1.008 6 I CA 0.180 61.497 61.300 0.027 0.000 1.226 6 I CB 1.213 39.220 38.000 0.010 0.000 1.371 6 I HN 1.039 nan 8.210 nan 0.000 0.468 7 T N 1.269 115.890 114.554 0.112 0.000 3.129 7 T HA 0.524 4.874 4.350 -0.000 0.000 0.267 7 T C 0.512 175.369 174.700 0.262 0.000 1.018 7 T CA -0.379 61.819 62.100 0.163 0.000 0.903 7 T CB 0.344 69.245 68.868 0.055 0.000 1.067 7 T HN 0.778 nan 8.240 nan 0.000 0.549 8 G N 1.346 110.309 108.800 0.271 0.000 2.556 8 G HA2 0.525 4.485 3.960 -0.000 0.000 0.294 8 G HA3 0.525 4.485 3.960 -0.000 0.000 0.294 8 G C -2.111 172.814 174.900 0.043 0.000 1.516 8 G CA -0.885 44.355 45.100 0.233 0.000 0.824 8 G HN 0.669 nan 8.290 nan 0.000 0.535 9 L N -1.284 119.937 121.223 -0.003 0.000 2.469 9 L HA 1.068 5.408 4.340 -0.000 0.000 0.256 9 L C -0.038 176.796 176.870 -0.061 0.000 1.006 9 L CA -0.804 53.971 54.840 -0.107 0.000 0.832 9 L CB 1.730 43.623 42.059 -0.276 0.000 1.421 9 L HN 1.452 nan 8.230 nan 0.000 0.410 10 G N 0.588 109.343 108.800 -0.075 0.000 2.733 10 G HA2 0.771 4.731 3.960 -0.000 0.000 0.297 10 G HA3 0.771 4.731 3.960 -0.000 0.000 0.297 10 G C -2.084 172.782 174.900 -0.056 0.000 1.422 10 G CA -0.594 44.474 45.100 -0.053 0.000 0.942 10 G HN 1.076 nan 8.290 nan 0.000 0.510 11 I N 0.308 120.859 120.570 -0.032 0.000 2.828 11 I HA 0.580 4.750 4.170 -0.000 0.000 0.295 11 I C -1.641 174.465 176.117 -0.017 0.000 1.459 11 I CA -0.910 60.370 61.300 -0.034 0.000 1.015 11 I CB 2.272 40.248 38.000 -0.039 0.000 1.345 11 I HN 0.395 nan 8.210 nan 0.000 0.449 12 V N 6.096 125.987 119.914 -0.040 0.000 2.462 12 V HA 0.568 4.688 4.120 -0.000 0.000 0.288 12 V C -0.300 175.703 176.094 -0.151 0.000 1.020 12 V CA -0.180 62.070 62.300 -0.083 0.000 0.857 12 V CB 1.400 33.177 31.823 -0.076 0.000 1.013 12 V HN 0.830 nan 8.190 nan 0.000 0.431 13 S N 2.354 117.995 115.700 -0.099 0.000 2.732 13 S HA 0.467 4.937 4.470 -0.000 0.000 0.293 13 S C 1.083 175.627 174.600 -0.092 0.000 1.159 13 S CA 0.082 58.232 58.200 -0.083 0.000 0.847 13 S CB 1.787 65.028 63.200 0.069 0.000 1.169 13 S HN 0.866 nan 8.310 nan 0.000 0.501 14 S N 0.179 115.834 115.700 -0.074 0.000 2.507 14 S HA -0.041 4.429 4.470 -0.000 0.000 0.235 14 S C 1.325 175.902 174.600 -0.039 0.000 0.988 14 S CA 0.950 59.107 58.200 -0.072 0.000 0.944 14 S CB -1.145 62.026 63.200 -0.047 0.000 0.762 14 S HN 1.016 nan 8.310 nan 0.000 0.526 15 I N -2.933 117.621 120.570 -0.027 0.000 3.936 15 I HA 0.692 4.862 4.170 -0.000 0.000 0.330 15 I C 0.453 176.556 176.117 -0.024 0.000 1.509 15 I CA -0.527 60.751 61.300 -0.037 0.000 1.126 15 I CB 0.488 38.438 38.000 -0.084 0.000 1.115 15 I HN 0.228 nan 8.210 nan 0.000 0.424 16 G N 0.956 109.748 108.800 -0.014 0.000 2.405 16 G HA2 0.082 4.042 3.960 -0.000 0.000 0.303 16 G HA3 0.082 4.042 3.960 -0.000 0.000 0.303 16 G C -0.941 173.954 174.900 -0.009 0.000 1.644 16 G CA -0.608 44.489 45.100 -0.005 0.000 0.899 16 G HN -0.016 nan 8.290 nan 0.000 0.667 17 N N 0.049 118.744 118.700 -0.009 0.000 2.230 17 N HA 0.129 4.869 4.740 -0.000 0.000 0.202 17 N C 0.274 175.787 175.510 0.006 0.000 1.119 17 N CA 0.505 53.550 53.050 -0.009 0.000 0.851 17 N CB 0.407 38.892 38.487 -0.004 0.000 0.990 17 N HN 0.818 nan 8.380 nan 0.000 0.497 18 N N -1.785 116.921 118.700 0.011 0.000 3.116 18 N HA -0.015 4.725 4.740 -0.000 0.000 0.244 18 N C 0.324 175.850 175.510 0.026 0.000 1.485 18 N CA -0.686 52.375 53.050 0.017 0.000 0.884 18 N CB 0.495 38.992 38.487 0.016 0.000 1.415 18 N HN -0.156 nan 8.380 nan 0.000 0.524 19 Q N -0.870 118.949 119.800 0.032 0.000 2.291 19 Q HA -0.101 4.239 4.340 -0.000 0.000 0.205 19 Q C 0.831 176.850 176.000 0.032 0.000 0.970 19 Q CA 1.344 57.177 55.803 0.049 0.000 0.876 19 Q CB -0.247 28.530 28.738 0.065 0.000 0.935 19 Q HN 0.694 nan 8.270 nan 0.000 0.455 20 Q N 0.925 120.732 119.800 0.011 0.000 2.049 20 Q HA -0.129 4.211 4.340 -0.000 0.000 0.198 20 Q C 1.901 177.884 176.000 -0.029 0.000 0.971 20 Q CA 1.554 57.345 55.803 -0.020 0.000 0.833 20 Q CB 0.046 28.773 28.738 -0.018 0.000 0.896 20 Q HN 0.566 nan 8.270 nan 0.000 0.434 21 E N 0.215 120.407 120.200 -0.014 0.000 2.077 21 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 21 E C 2.141 178.729 176.600 -0.019 0.000 0.989 21 E CA 1.197 57.586 56.400 -0.020 0.000 0.800 21 E CB 0.024 29.718 29.700 -0.011 0.000 0.746 21 E HN 0.089 nan 8.360 nan 0.000 0.452 22 V N 1.518 121.438 119.914 0.010 0.000 2.295 22 V HA -0.255 3.865 4.120 -0.000 0.000 0.246 22 V C 2.329 178.429 176.094 0.010 0.000 1.049 22 V CA 1.535 63.852 62.300 0.029 0.000 1.024 22 V CB -0.441 31.460 31.823 0.131 0.000 0.648 22 V HN 0.245 nan 8.190 nan 0.000 0.447 23 L N 0.963 122.194 121.223 0.013 0.000 2.013 23 L HA -0.183 4.157 4.340 -0.000 0.000 0.212 23 L C 2.406 179.208 176.870 -0.113 0.000 1.073 23 L CA 2.598 57.426 54.840 -0.021 0.000 0.753 23 L CB -1.037 40.944 42.059 -0.130 0.000 0.890 23 L HN 0.241 nan 8.230 nan 0.000 0.432 24 A N -1.645 121.106 122.820 -0.116 0.000 1.873 24 A HA -0.166 4.154 4.320 -0.000 0.000 0.215 24 A C 2.373 179.891 177.584 -0.110 0.000 1.186 24 A CA 1.889 53.847 52.037 -0.132 0.000 0.616 24 A CB -0.992 17.950 19.000 -0.097 0.000 0.823 24 A HN 0.533 nan 8.150 nan 0.000 0.442 25 S N -0.045 115.606 115.700 -0.080 0.000 2.382 25 S HA -0.103 4.367 4.470 -0.000 0.000 0.228 25 S C 1.833 176.385 174.600 -0.081 0.000 1.027 25 S CA 1.421 59.574 58.200 -0.077 0.000 0.991 25 S CB -0.460 62.693 63.200 -0.078 0.000 0.823 25 S HN 0.498 nan 8.310 nan 0.000 0.469 26 L N 0.904 122.088 121.223 -0.064 0.000 1.994 26 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 26 L C 2.741 179.631 176.870 0.034 0.000 1.071 26 L CA 1.357 56.206 54.840 0.016 0.000 0.745 26 L CB -0.509 41.667 42.059 0.196 0.000 0.892 26 L HN 0.227 nan 8.230 nan 0.000 0.431 27 R N 0.251 120.658 120.500 -0.155 0.000 2.117 27 R HA -0.209 4.131 4.340 -0.000 0.000 0.243 27 R C 1.860 178.070 176.300 -0.151 0.000 1.143 27 R CA 1.743 57.646 56.100 -0.327 0.000 0.968 27 R CB -0.255 29.759 30.300 -0.477 0.000 0.863 27 R HN 0.478 nan 8.270 nan 0.000 0.444 28 E N -0.988 119.147 120.200 -0.109 0.000 2.479 28 E HA 0.101 4.451 4.350 -0.000 0.000 0.193 28 E C 0.650 177.223 176.600 -0.044 0.000 1.049 28 E CA 0.328 56.684 56.400 -0.072 0.000 0.870 28 E CB 0.728 30.387 29.700 -0.068 0.000 0.944 28 E HN 0.469 nan 8.360 nan 0.000 0.492 29 G N 2.659 111.438 108.800 -0.035 0.000 2.273 29 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.280 29 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.280 29 G C 0.027 174.908 174.900 -0.032 0.000 1.047 29 G CA 0.398 45.483 45.100 -0.026 0.000 0.869 29 G HN 0.240 nan 8.290 nan 0.000 0.502 30 R N 0.363 120.837 120.500 -0.043 0.000 2.267 30 R HA 0.468 4.808 4.340 -0.000 0.000 0.319 30 R C 0.784 177.063 176.300 -0.035 0.000 1.067 30 R CA 0.249 56.328 56.100 -0.035 0.000 0.936 30 R CB 0.478 30.755 30.300 -0.039 0.000 1.006 30 R HN 0.255 nan 8.270 nan 0.000 0.452 31 S N 2.157 117.847 115.700 -0.017 0.000 2.564 31 S HA 0.219 4.689 4.470 -0.000 0.000 0.278 31 S C 0.927 175.529 174.600 0.003 0.000 1.333 31 S CA -0.115 58.080 58.200 -0.007 0.000 1.048 31 S CB 1.175 64.381 63.200 0.009 0.000 0.900 31 S HN 0.795 nan 8.310 nan 0.000 0.505 32 G N 3.896 112.700 108.800 0.006 0.000 3.277 32 G HA2 0.228 4.188 3.960 -0.000 0.000 0.243 32 G HA3 0.228 4.188 3.960 -0.000 0.000 0.243 32 G C 0.093 175.026 174.900 0.055 0.000 1.107 32 G CA -0.254 44.855 45.100 0.015 0.000 0.771 32 G HN 0.595 nan 8.290 nan 0.000 0.544 33 I N 2.664 123.279 120.570 0.076 0.000 2.474 33 I HA 0.373 4.543 4.170 -0.000 0.000 0.287 33 I C 0.732 176.949 176.117 0.167 0.000 1.048 33 I CA -0.541 60.839 61.300 0.133 0.000 1.383 33 I CB 0.480 38.547 38.000 0.112 0.000 1.412 33 I HN 0.080 nan 8.210 nan 0.000 0.531 34 T N 2.731 117.439 114.554 0.256 0.000 2.887 34 T HA 0.562 4.912 4.350 -0.000 0.000 0.292 34 T C -0.507 174.341 174.700 0.247 0.000 1.087 34 T CA -0.754 61.503 62.100 0.262 0.000 1.009 34 T CB 1.729 70.773 68.868 0.294 0.000 1.203 34 T HN 0.228 nan 8.240 nan 0.000 0.518 35 F N 1.526 121.526 119.950 0.082 0.000 2.429 35 F HA 0.577 5.104 4.527 -0.000 0.000 0.348 35 F C 0.425 176.150 175.800 -0.124 0.000 1.109 35 F CA -0.212 57.786 58.000 -0.004 0.000 1.232 35 F CB 1.023 40.029 39.000 0.010 0.000 1.157 35 F HN 0.686 nan 8.300 nan 0.000 0.564 36 S N 4.744 119.632 115.700 -1.354 0.000 2.594 36 S HA 0.187 4.657 4.470 -0.000 0.000 0.322 36 S C 0.533 174.339 174.600 -1.324 0.000 1.085 36 S CA -0.681 56.701 58.200 -1.363 0.000 1.116 36 S CB 1.212 63.151 63.200 -2.102 0.000 0.979 36 S HN 0.891 nan 8.310 nan 0.000 0.465 37 Q N 3.485 122.863 119.800 -0.704 0.000 2.124 37 Q HA -0.113 4.227 4.340 -0.000 0.000 0.202 37 Q C 1.741 177.517 176.000 -0.374 0.000 0.977 37 Q CA 2.324 57.922 55.803 -0.341 0.000 0.850 37 Q CB -0.194 28.543 28.738 -0.000 0.000 0.901 37 Q HN 0.915 nan 8.270 nan 0.000 0.429 38 E N -0.514 119.461 120.200 -0.375 0.000 2.038 38 E HA -0.206 4.144 4.350 -0.000 0.000 0.195 38 E C 1.857 178.268 176.600 -0.315 0.000 1.000 38 E CA 1.451 57.701 56.400 -0.249 0.000 0.803 38 E CB -0.216 29.437 29.700 -0.079 0.000 0.750 38 E HN 0.466 nan 8.360 nan 0.000 0.448 39 L N 0.659 121.583 121.223 -0.499 0.000 2.017 39 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 39 L C 2.897 179.569 176.870 -0.331 0.000 1.073 39 L CA 1.520 56.168 54.840 -0.321 0.000 0.745 39 L CB -0.567 41.282 42.059 -0.350 0.000 0.894 39 L HN 0.157 nan 8.230 nan 0.000 0.432 40 K N 0.193 120.257 120.400 -0.559 0.000 2.063 40 K HA -0.216 4.104 4.320 -0.000 0.000 0.208 40 K C 1.674 178.043 176.600 -0.385 0.000 1.048 40 K CA 1.826 57.686 56.287 -0.712 0.000 0.928 40 K CB -0.014 32.001 32.500 -0.809 0.000 0.713 40 K HN 0.246 nan 8.250 nan 0.000 0.442 41 D N 0.164 120.375 120.400 -0.316 0.000 2.178 41 D HA -0.125 4.515 4.640 -0.000 0.000 0.201 41 D C 1.880 177.992 176.300 -0.314 0.000 0.980 41 D CA 1.485 55.330 54.000 -0.259 0.000 0.842 41 D CB -0.165 40.502 40.800 -0.221 0.000 0.948 41 D HN 0.339 nan 8.370 nan 0.000 0.472 42 S N -0.748 114.719 115.700 -0.388 0.000 2.507 42 S HA 0.090 4.560 4.470 -0.000 0.000 0.235 42 S C 1.746 176.162 174.600 -0.307 0.000 0.988 42 S CA 1.086 58.970 58.200 -0.526 0.000 0.944 42 S CB 0.059 62.919 63.200 -0.565 0.000 0.762 42 S HN 0.337 nan 8.310 nan 0.000 0.526 43 G N 0.345 109.030 108.800 -0.192 0.000 2.159 43 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.227 43 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.227 43 G C 0.004 174.896 174.900 -0.013 0.000 0.986 43 G CA 0.108 45.150 45.100 -0.097 0.000 0.651 43 G HN 0.496 nan 8.290 nan 0.000 0.523 44 M N -0.423 119.184 119.600 0.012 0.000 2.202 44 M HA 0.419 4.899 4.480 -0.000 0.000 0.316 44 M C 1.861 178.266 176.300 0.175 0.000 1.138 44 M CA -0.005 55.348 55.300 0.087 0.000 1.151 44 M CB 0.553 33.211 32.600 0.097 0.000 1.422 44 M HN 0.164 nan 8.290 nan 0.000 0.471 45 R N -0.341 120.207 120.500 0.080 0.000 2.173 45 R HA 0.099 4.439 4.340 -0.000 0.000 0.208 45 R C 0.470 176.635 176.300 -0.225 0.000 1.035 45 R CA 0.230 56.313 56.100 -0.029 0.000 1.004 45 R CB 0.212 30.491 30.300 -0.035 0.000 0.917 45 R HN 0.560 nan 8.270 nan 0.000 0.462 46 S N 0.315 115.971 115.700 -0.074 0.000 2.489 46 S HA 0.127 4.597 4.470 -0.000 0.000 0.277 46 S C -0.095 174.523 174.600 0.029 0.000 1.230 46 S CA -0.523 57.620 58.200 -0.094 0.000 1.053 46 S CB 0.370 63.542 63.200 -0.046 0.000 0.955 46 S HN 0.342 nan 8.310 nan 0.000 0.488 47 H N 2.679 121.680 119.070 -0.115 0.000 2.567 47 H HA 0.327 4.883 4.556 -0.000 0.000 0.267 47 H C -0.199 174.888 175.328 -0.402 0.000 1.148 47 H CA -0.599 55.265 56.048 -0.306 0.000 1.031 47 H CB 0.619 30.258 29.762 -0.206 0.000 1.691 47 H HN 0.447 nan 8.280 nan 0.000 0.588 48 V N -1.515 118.336 119.914 -0.105 0.000 2.823 48 V HA 0.627 4.747 4.120 -0.000 0.000 0.312 48 V C -1.237 174.913 176.094 0.092 0.000 1.072 48 V CA -0.937 61.337 62.300 -0.042 0.000 0.937 48 V CB 2.087 33.961 31.823 0.085 0.000 1.013 48 V HN 0.387 nan 8.190 nan 0.000 0.430 49 W N 1.106 122.415 121.300 0.015 0.000 3.066 49 W HA 0.814 5.474 4.660 -0.000 0.000 0.330 49 W C -0.279 176.259 176.519 0.031 0.000 1.253 49 W CA -1.739 55.621 57.345 0.025 0.000 1.187 49 W CB 0.884 30.356 29.460 0.019 0.000 1.434 49 W HN 1.010 nan 8.180 nan 0.000 0.572 50 G N 2.089 111.011 108.800 0.203 0.000 3.058 50 G HA2 0.371 4.331 3.960 -0.000 0.000 0.316 50 G HA3 0.371 4.331 3.960 -0.000 0.000 0.316 50 G C -0.357 174.422 174.900 -0.202 0.000 0.951 50 G CA -0.814 44.305 45.100 0.031 0.000 1.535 50 G HN 0.604 nan 8.290 nan 0.000 0.500 51 N N -0.014 118.469 118.700 -0.362 0.000 2.515 51 N HA 0.397 5.137 4.740 -0.000 0.000 0.279 51 N C -0.435 174.887 175.510 -0.313 0.000 1.164 51 N CA -0.901 51.801 53.050 -0.581 0.000 0.982 51 N CB 1.928 39.963 38.487 -0.753 0.000 1.170 51 N HN -0.027 nan 8.380 nan 0.000 0.474 52 V N 1.183 120.893 119.914 -0.340 0.000 2.408 52 V HA 0.081 4.201 4.120 -0.000 0.000 0.267 52 V C 0.009 176.015 176.094 -0.146 0.000 1.047 52 V CA -0.285 61.844 62.300 -0.285 0.000 0.937 52 V CB 0.519 32.043 31.823 -0.498 0.000 0.999 52 V HN 0.663 nan 8.190 nan 0.000 0.472 53 K N 5.400 125.747 120.400 -0.088 0.000 2.180 53 K HA 0.598 4.918 4.320 -0.000 0.000 0.250 53 K C -0.926 175.668 176.600 -0.010 0.000 1.135 53 K CA 0.010 56.281 56.287 -0.026 0.000 1.037 53 K CB 0.282 32.778 32.500 -0.007 0.000 1.624 53 K HN 0.499 nan 8.250 nan 0.000 0.382 54 L N 0.781 122.009 121.223 0.009 0.000 2.565 54 L HA 0.367 4.707 4.340 -0.000 0.000 0.261 54 L C -1.803 175.098 176.870 0.052 0.000 0.932 54 L CA -0.534 54.324 54.840 0.030 0.000 0.878 54 L CB 2.171 44.249 42.059 0.032 0.000 1.333 54 L HN 0.234 nan 8.230 nan 0.000 0.409 55 D N 1.870 122.296 120.400 0.044 0.000 2.339 55 D HA 0.298 4.938 4.640 -0.000 0.000 0.241 55 D C 0.934 177.261 176.300 0.045 0.000 1.183 55 D CA 0.480 54.506 54.000 0.043 0.000 0.859 55 D CB 1.366 42.185 40.800 0.033 0.000 1.067 55 D HN 0.695 nan 8.370 nan 0.000 0.484 56 T N -0.636 113.949 114.554 0.051 0.000 3.100 56 T HA 0.002 4.352 4.350 -0.000 0.000 0.253 56 T C 0.964 175.671 174.700 0.012 0.000 1.118 56 T CA -0.099 62.029 62.100 0.046 0.000 1.058 56 T CB -0.635 68.267 68.868 0.057 0.000 0.953 56 T HN 0.429 nan 8.240 nan 0.000 0.515 57 T N 0.252 114.810 114.554 0.005 0.000 2.831 57 T HA 0.401 4.751 4.350 -0.000 0.000 0.291 57 T C 1.654 176.347 174.700 -0.012 0.000 0.981 57 T CA 0.178 62.270 62.100 -0.012 0.000 1.174 57 T CB 0.110 68.974 68.868 -0.007 0.000 0.929 57 T HN 0.960 nan 8.240 nan 0.000 0.532 58 G N 2.744 111.527 108.800 -0.029 0.000 2.179 58 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.260 58 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.260 58 G C 0.696 175.588 174.900 -0.014 0.000 0.977 58 G CA 0.282 45.367 45.100 -0.025 0.000 0.641 58 G HN 0.742 nan 8.290 nan 0.000 0.533 59 L N -0.222 120.999 121.223 -0.004 0.000 2.395 59 L HA 0.363 4.703 4.340 -0.000 0.000 0.218 59 L C 1.198 178.080 176.870 0.020 0.000 1.130 59 L CA 0.731 55.588 54.840 0.028 0.000 0.826 59 L CB -0.063 42.032 42.059 0.060 0.000 0.941 59 L HN 0.287 nan 8.230 nan 0.000 0.451 60 I N -1.035 119.497 120.570 -0.063 0.000 2.545 60 I HA 0.211 4.381 4.170 -0.000 0.000 0.292 60 I C -0.720 175.294 176.117 -0.172 0.000 1.040 60 I CA -1.029 60.169 61.300 -0.171 0.000 1.068 60 I CB 2.087 39.861 38.000 -0.377 0.000 1.251 60 I HN -0.184 nan 8.210 nan 0.000 0.424 61 D N 5.173 125.474 120.400 -0.164 0.000 2.525 61 D HA -0.006 4.634 4.640 -0.000 0.000 0.235 61 D C 1.248 177.452 176.300 -0.159 0.000 1.137 61 D CA 0.048 53.971 54.000 -0.129 0.000 0.868 61 D CB 0.824 41.562 40.800 -0.104 0.000 1.180 61 D HN 0.324 nan 8.370 nan 0.000 0.465 62 R N 2.858 123.280 120.500 -0.131 0.000 2.113 62 R HA -0.165 4.175 4.340 -0.000 0.000 0.244 62 R C 1.665 177.853 176.300 -0.185 0.000 1.142 62 R CA 1.153 57.159 56.100 -0.156 0.000 0.953 62 R CB -0.405 29.822 30.300 -0.121 0.000 0.860 62 R HN 0.457 nan 8.270 nan 0.000 0.438 63 K N 0.396 120.721 120.400 -0.126 0.000 2.209 63 K HA -0.034 4.286 4.320 -0.000 0.000 0.204 63 K C 2.146 178.730 176.600 -0.027 0.000 1.048 63 K CA 0.828 57.068 56.287 -0.079 0.000 0.940 63 K CB -0.148 32.343 32.500 -0.014 0.000 0.729 63 K HN 0.081 nan 8.250 nan 0.000 0.451 64 V N 0.226 120.083 119.914 -0.095 0.000 2.436 64 V HA -0.069 4.051 4.120 -0.000 0.000 0.240 64 V C 2.173 178.164 176.094 -0.171 0.000 1.040 64 V CA 0.748 62.987 62.300 -0.102 0.000 1.052 64 V CB -0.063 31.602 31.823 -0.264 0.000 0.707 64 V HN -0.015 nan 8.190 nan 0.000 0.469 65 V N 0.619 120.358 119.914 -0.291 0.000 2.867 65 V HA -0.230 3.890 4.120 -0.000 0.000 0.260 65 V C 2.578 178.471 176.094 -0.335 0.000 1.099 65 V CA 2.161 64.273 62.300 -0.314 0.000 1.122 65 V CB -0.644 31.003 31.823 -0.293 0.000 0.708 65 V HN 0.508 nan 8.190 nan 0.000 0.490 66 R N -0.560 119.685 120.500 -0.424 0.000 2.119 66 R HA -0.201 4.139 4.340 -0.000 0.000 0.246 66 R C 1.754 177.502 176.300 -0.920 0.000 1.146 66 R CA 2.451 58.072 56.100 -0.799 0.000 0.962 66 R CB -0.319 29.361 30.300 -1.033 0.000 0.863 66 R HN 0.591 nan 8.270 nan 0.000 0.442 67 F N -0.272 119.445 119.950 -0.389 0.000 2.765 67 F HA 0.212 4.739 4.527 -0.000 0.000 0.302 67 F C 0.402 176.054 175.800 -0.248 0.000 1.111 67 F CA -0.077 57.785 58.000 -0.229 0.000 1.359 67 F CB 0.251 39.186 39.000 -0.108 0.000 1.097 67 F HN -0.095 nan 8.300 nan 0.000 0.577 68 M N -0.303 119.192 119.600 -0.175 0.000 2.472 68 M HA 0.381 4.861 4.480 -0.000 0.000 0.331 68 M C 0.358 176.466 176.300 -0.320 0.000 1.170 68 M CA -0.739 54.440 55.300 -0.202 0.000 1.009 68 M CB 1.649 34.144 32.600 -0.174 0.000 1.672 68 M HN -0.049 nan 8.290 nan 0.000 0.453 69 S N -0.263 115.292 115.700 -0.243 0.000 2.713 69 S HA 0.310 4.780 4.470 -0.000 0.000 0.277 69 S C 0.280 174.799 174.600 -0.136 0.000 1.168 69 S CA -0.714 57.391 58.200 -0.157 0.000 0.994 69 S CB 0.854 64.059 63.200 0.008 0.000 1.054 69 S HN 0.674 nan 8.310 nan 0.000 0.555 70 D N 0.914 121.242 120.400 -0.120 0.000 2.178 70 D HA 0.010 4.650 4.640 -0.000 0.000 0.201 70 D C 2.138 178.122 176.300 -0.527 0.000 0.980 70 D CA 1.571 55.319 54.000 -0.420 0.000 0.842 70 D CB -0.852 39.700 40.800 -0.414 0.000 0.948 70 D HN 0.649 nan 8.370 nan 0.000 0.472 71 A N 0.421 123.128 122.820 -0.188 0.000 1.908 71 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 71 A C 2.414 179.980 177.584 -0.029 0.000 1.181 71 A CA 1.872 53.883 52.037 -0.043 0.000 0.627 71 A CB -0.564 18.457 19.000 0.035 0.000 0.818 71 A HN 0.174 nan 8.150 nan 0.000 0.445 72 S N -0.489 115.182 115.700 -0.048 0.000 2.406 72 S HA -0.022 4.448 4.470 -0.000 0.000 0.228 72 S C 1.751 176.368 174.600 0.028 0.000 1.020 72 S CA 1.176 59.383 58.200 0.012 0.000 0.965 72 S CB -0.414 62.783 63.200 -0.005 0.000 0.798 72 S HN 0.538 nan 8.310 nan 0.000 0.488 73 I N 0.344 120.846 120.570 -0.112 0.000 2.202 73 I HA -0.180 3.990 4.170 -0.000 0.000 0.242 73 I C 1.969 178.140 176.117 0.090 0.000 1.091 73 I CA 1.217 62.467 61.300 -0.084 0.000 1.368 73 I CB -0.395 37.460 38.000 -0.241 0.000 1.058 73 I HN 0.247 nan 8.210 nan 0.000 0.410 74 Y N 0.862 121.204 120.300 0.070 0.000 2.181 74 Y HA -0.183 4.367 4.550 -0.000 0.000 0.288 74 Y C 2.649 178.593 175.900 0.074 0.000 1.146 74 Y CA 0.758 58.893 58.100 0.059 0.000 1.164 74 Y CB -1.402 37.071 38.460 0.021 0.000 0.982 74 Y HN 0.120 nan 8.280 nan 0.000 0.515 75 A N -0.575 122.384 122.820 0.232 0.000 1.930 75 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 75 A C 2.177 179.855 177.584 0.156 0.000 1.175 75 A CA 1.176 53.301 52.037 0.147 0.000 0.627 75 A CB -1.278 17.790 19.000 0.114 0.000 0.815 75 A HN 0.437 nan 8.150 nan 0.000 0.443 76 F N 0.641 120.647 119.950 0.094 0.000 2.102 76 F HA -0.127 4.400 4.527 -0.000 0.000 0.298 76 F C 1.914 177.805 175.800 0.152 0.000 1.105 76 F CA 1.759 59.857 58.000 0.164 0.000 1.239 76 F CB -0.173 38.900 39.000 0.122 0.000 0.991 76 F HN 0.133 nan 8.300 nan 0.000 0.474 77 L N -0.762 120.670 121.223 0.349 0.000 2.131 77 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 77 L C 2.446 179.351 176.870 0.058 0.000 1.092 77 L CA 1.295 56.265 54.840 0.217 0.000 0.759 77 L CB -0.895 41.300 42.059 0.225 0.000 0.903 77 L HN 0.087 nan 8.230 nan 0.000 0.435 78 S N -0.370 115.355 115.700 0.042 0.000 2.383 78 S HA -0.181 4.289 4.470 -0.000 0.000 0.227 78 S C 1.918 176.447 174.600 -0.119 0.000 1.026 78 S CA 1.398 59.583 58.200 -0.025 0.000 0.981 78 S CB -0.171 63.022 63.200 -0.013 0.000 0.818 78 S HN 0.372 nan 8.310 nan 0.000 0.472 79 M N 1.343 120.810 119.600 -0.220 0.000 2.254 79 M HA -0.052 4.428 4.480 -0.000 0.000 0.265 79 M C 1.906 177.889 176.300 -0.528 0.000 1.066 79 M CA 1.276 56.292 55.300 -0.473 0.000 1.123 79 M CB -0.087 32.025 32.600 -0.813 0.000 1.388 79 M HN 0.234 nan 8.290 nan 0.000 0.425 80 E N 0.029 120.019 120.200 -0.350 0.000 2.038 80 E HA -0.268 4.082 4.350 -0.000 0.000 0.195 80 E C 2.024 178.546 176.600 -0.130 0.000 1.000 80 E CA 1.745 58.032 56.400 -0.188 0.000 0.803 80 E CB -0.213 29.455 29.700 -0.055 0.000 0.750 80 E HN 0.659 nan 8.360 nan 0.000 0.448 81 Q N 0.076 119.825 119.800 -0.086 0.000 2.077 81 Q HA -0.204 4.136 4.340 -0.000 0.000 0.206 81 Q C 2.214 178.183 176.000 -0.052 0.000 0.989 81 Q CA 1.541 57.318 55.803 -0.043 0.000 0.853 81 Q CB -0.224 28.499 28.738 -0.024 0.000 0.907 81 Q HN 0.243 nan 8.270 nan 0.000 0.418 82 A N 0.623 123.388 122.820 -0.092 0.000 1.933 82 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 82 A C 2.013 179.576 177.584 -0.036 0.000 1.175 82 A CA 1.107 53.112 52.037 -0.053 0.000 0.628 82 A CB -0.554 18.414 19.000 -0.054 0.000 0.814 82 A HN 0.310 nan 8.150 nan 0.000 0.444 83 I N -0.344 120.141 120.570 -0.142 0.000 2.252 83 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 83 I C 2.953 179.053 176.117 -0.029 0.000 1.102 83 I CA 1.012 62.228 61.300 -0.140 0.000 1.385 83 I CB -0.274 37.496 38.000 -0.384 0.000 1.064 83 I HN 0.352 nan 8.210 nan 0.000 0.414 84 A N 0.211 123.018 122.820 -0.022 0.000 1.902 84 A HA -0.292 4.028 4.320 -0.000 0.000 0.217 84 A C 1.984 179.587 177.584 0.031 0.000 1.181 84 A CA 2.289 54.337 52.037 0.018 0.000 0.623 84 A CB -0.699 18.310 19.000 0.016 0.000 0.818 84 A HN 0.435 nan 8.150 nan 0.000 0.443 85 D N -0.296 120.126 120.400 0.037 0.000 2.144 85 D HA 0.010 4.650 4.640 -0.000 0.000 0.200 85 D C 1.851 178.205 176.300 0.090 0.000 0.978 85 D CA 1.394 55.438 54.000 0.072 0.000 0.833 85 D CB -0.150 40.715 40.800 0.109 0.000 0.961 85 D HN 0.340 nan 8.370 nan 0.000 0.470 86 A N -0.605 122.266 122.820 0.084 0.000 2.206 86 A HA 0.371 4.691 4.320 -0.000 0.000 0.211 86 A C 1.696 179.325 177.584 0.074 0.000 1.158 86 A CA 0.953 53.043 52.037 0.088 0.000 0.761 86 A CB -0.644 18.397 19.000 0.068 0.000 0.801 86 A HN 0.437 nan 8.150 nan 0.000 0.473 87 G N -0.633 108.206 108.800 0.064 0.000 2.314 87 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.292 87 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.292 87 G C -0.172 174.781 174.900 0.088 0.000 1.059 87 G CA 0.354 45.492 45.100 0.063 0.000 0.982 87 G HN 0.468 nan 8.290 nan 0.000 0.505 88 L N 1.508 122.801 121.223 0.116 0.000 2.265 88 L HA 0.516 4.856 4.340 -0.000 0.000 0.289 88 L C 1.152 178.174 176.870 0.254 0.000 1.033 88 L CA -0.398 54.558 54.840 0.194 0.000 0.814 88 L CB 1.554 43.748 42.059 0.225 0.000 1.203 88 L HN 0.464 nan 8.230 nan 0.000 0.423 89 S N 3.448 119.272 115.700 0.207 0.000 2.617 89 S HA 0.391 4.861 4.470 -0.000 0.000 0.269 89 S C -1.690 172.995 174.600 0.142 0.000 1.292 89 S CA -1.217 57.078 58.200 0.158 0.000 1.010 89 S CB 1.193 64.440 63.200 0.079 0.000 0.944 89 S HN 0.421 nan 8.310 nan 0.000 0.536 90 P HA -0.203 nan 4.420 nan 0.000 0.215 90 P C 1.245 178.359 177.300 -0.310 0.000 1.157 90 P CA 1.495 64.450 63.100 -0.243 0.000 0.874 90 P CB -0.165 31.459 31.700 -0.125 0.000 0.790 91 E N 0.213 120.334 120.200 -0.131 0.000 2.401 91 E HA -0.095 4.255 4.350 -0.000 0.000 0.199 91 E C 1.872 178.430 176.600 -0.069 0.000 1.023 91 E CA 1.204 57.541 56.400 -0.105 0.000 0.859 91 E CB -1.116 28.554 29.700 -0.050 0.000 0.780 91 E HN 0.240 nan 8.360 nan 0.000 0.523 92 A N 1.297 124.106 122.820 -0.018 0.000 1.874 92 A HA -0.090 4.230 4.320 -0.000 0.000 0.214 92 A C 2.003 179.658 177.584 0.119 0.000 1.189 92 A CA 1.256 53.341 52.037 0.080 0.000 0.615 92 A CB -0.694 18.403 19.000 0.162 0.000 0.830 92 A HN 0.442 nan 8.150 nan 0.000 0.443 93 Y N -0.820 119.531 120.300 0.085 0.000 2.507 93 Y HA 0.411 4.961 4.550 -0.000 0.000 0.263 93 Y C 0.858 176.795 175.900 0.062 0.000 1.093 93 Y CA -0.471 57.697 58.100 0.112 0.000 1.285 93 Y CB -0.314 38.289 38.460 0.239 0.000 1.115 93 Y HN 0.230 nan 8.280 nan 0.000 0.533 94 Q N 1.832 121.303 119.800 -0.549 0.000 2.354 94 Q HA 0.128 4.468 4.340 -0.000 0.000 0.244 94 Q C -0.113 175.699 176.000 -0.314 0.000 0.969 94 Q CA -0.318 55.232 55.803 -0.422 0.000 0.885 94 Q CB 0.317 28.745 28.738 -0.516 0.000 1.241 94 Q HN 0.364 nan 8.270 nan 0.000 0.461 95 N N 1.676 120.082 118.700 -0.491 0.000 2.710 95 N HA -0.205 4.535 4.740 -0.000 0.000 0.249 95 N C -1.109 174.154 175.510 -0.412 0.000 1.059 95 N CA 0.818 53.351 53.050 -0.862 0.000 0.720 95 N CB -1.059 37.172 38.487 -0.427 0.000 0.983 95 N HN 0.563 nan 8.380 nan 0.000 0.544 96 N N 0.498 119.071 118.700 -0.213 0.000 2.483 96 N HA 0.262 5.002 4.740 -0.000 0.000 0.267 96 N C -1.791 173.777 175.510 0.098 0.000 0.998 96 N CA -1.932 51.116 53.050 -0.004 0.000 0.918 96 N CB 1.449 39.944 38.487 0.012 0.000 1.215 96 N HN -0.116 nan 8.380 nan 0.000 0.500 97 P HA -0.038 nan 4.420 nan 0.000 0.236 97 P C 0.371 177.716 177.300 0.075 0.000 1.172 97 P CA 0.658 63.840 63.100 0.137 0.000 0.759 97 P CB 0.446 32.210 31.700 0.107 0.000 0.843 98 R N -0.426 120.103 120.500 0.048 0.000 2.393 98 R HA 0.250 4.590 4.340 -0.000 0.000 0.244 98 R C 0.075 176.360 176.300 -0.025 0.000 0.920 98 R CA -0.090 56.012 56.100 0.002 0.000 1.076 98 R CB 0.529 30.820 30.300 -0.016 0.000 1.119 98 R HN 0.126 nan 8.270 nan 0.000 0.524 99 V N 0.395 120.324 119.914 0.026 0.000 2.409 99 V HA 0.620 4.740 4.120 -0.000 0.000 0.291 99 V C 0.482 176.624 176.094 0.080 0.000 1.020 99 V CA -0.761 61.562 62.300 0.038 0.000 0.848 99 V CB 1.691 33.598 31.823 0.141 0.000 0.990 99 V HN 0.277 nan 8.190 nan 0.000 0.430 100 G N 3.219 112.034 108.800 0.025 0.000 3.013 100 G HA2 0.810 4.770 3.960 -0.000 0.000 0.278 100 G HA3 0.810 4.770 3.960 -0.000 0.000 0.278 100 G C -1.782 173.163 174.900 0.074 0.000 1.353 100 G CA -0.745 44.374 45.100 0.032 0.000 1.043 100 G HN 0.669 nan 8.290 nan 0.000 0.523 101 L N -0.463 120.756 121.223 -0.006 0.000 2.505 101 L HA 0.704 5.044 4.340 -0.000 0.000 0.266 101 L C -1.491 175.289 176.870 -0.151 0.000 0.954 101 L CA -0.469 54.371 54.840 -0.000 0.000 0.852 101 L CB 1.753 43.839 42.059 0.046 0.000 1.282 101 L HN 0.438 nan 8.230 nan 0.000 0.403 102 I N 5.332 125.811 120.570 -0.152 0.000 2.493 102 I HA 0.807 4.977 4.170 -0.000 0.000 0.279 102 I C -0.504 175.575 176.117 -0.062 0.000 1.045 102 I CA -0.390 60.788 61.300 -0.204 0.000 1.106 102 I CB 1.638 39.477 38.000 -0.268 0.000 1.216 102 I HN 0.778 nan 8.210 nan 0.000 0.459 103 A N 4.226 127.040 122.820 -0.010 0.000 2.547 103 A HA 0.965 5.285 4.320 -0.000 0.000 0.297 103 A C -0.611 177.009 177.584 0.059 0.000 1.056 103 A CA -0.415 51.637 52.037 0.024 0.000 0.688 103 A CB 1.880 20.891 19.000 0.018 0.000 1.282 103 A HN 0.748 nan 8.150 nan 0.000 0.400 104 G N -0.258 108.583 108.800 0.069 0.000 2.870 104 G HA2 0.852 4.812 3.960 -0.000 0.000 0.299 104 G HA3 0.852 4.812 3.960 -0.000 0.000 0.299 104 G C -0.503 174.444 174.900 0.078 0.000 1.324 104 G CA 0.179 45.329 45.100 0.084 0.000 0.808 104 G HN 1.947 nan 8.290 nan 0.000 0.535 105 S N -2.246 113.504 115.700 0.083 0.000 2.618 105 S HA 0.667 5.137 4.470 -0.000 0.000 0.277 105 S C 0.946 175.600 174.600 0.089 0.000 1.138 105 S CA 0.318 58.566 58.200 0.080 0.000 0.844 105 S CB 1.441 64.687 63.200 0.076 0.000 1.127 105 S HN 1.516 nan 8.310 nan 0.000 0.474 106 G N -0.198 108.656 108.800 0.089 0.000 2.426 106 G HA2 0.339 4.299 3.960 -0.000 0.000 0.214 106 G HA3 0.339 4.299 3.960 -0.000 0.000 0.214 106 G C 0.877 175.840 174.900 0.104 0.000 1.156 106 G CA 0.417 45.582 45.100 0.108 0.000 0.802 106 G HN 1.259 nan 8.290 nan 0.000 0.534 107 G N -1.246 107.610 108.800 0.094 0.000 3.274 107 G HA2 0.463 4.423 3.960 -0.000 0.000 0.250 107 G HA3 0.463 4.423 3.960 -0.000 0.000 0.250 107 G C 1.045 175.986 174.900 0.069 0.000 1.024 107 G CA 0.814 45.962 45.100 0.081 0.000 0.840 107 G HN 1.084 nan 8.290 nan 0.000 0.522 108 G N 0.475 109.319 108.800 0.073 0.000 2.574 108 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.301 108 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.301 108 G C 0.417 175.365 174.900 0.080 0.000 1.166 108 G CA 0.776 45.919 45.100 0.072 0.000 0.971 108 G HN 1.466 nan 8.290 nan 0.000 0.542 109 S N 1.485 117.242 115.700 0.094 0.000 2.383 109 S HA 0.646 5.116 4.470 -0.000 0.000 0.196 109 S C -1.315 173.340 174.600 0.091 0.000 1.364 109 S CA 0.038 58.312 58.200 0.124 0.000 1.212 109 S CB 1.749 65.093 63.200 0.240 0.000 1.171 109 S HN 0.265 nan 8.310 nan 0.000 0.456 110 P HA -0.118 nan 4.420 nan 0.000 0.216 110 P C 1.541 178.783 177.300 -0.096 0.000 1.150 110 P CA 0.752 63.828 63.100 -0.040 0.000 0.837 110 P CB 0.125 31.780 31.700 -0.076 0.000 0.786 111 R N -0.839 119.579 120.500 -0.137 0.000 2.083 111 R HA -0.152 4.188 4.340 -0.000 0.000 0.237 111 R C 1.898 178.028 176.300 -0.283 0.000 1.137 111 R CA 1.801 57.732 56.100 -0.281 0.000 0.951 111 R CB -0.998 29.090 30.300 -0.353 0.000 0.851 111 R HN 0.107 nan 8.270 nan 0.000 0.434 112 F N 0.691 120.663 119.950 0.036 0.000 2.456 112 F HA 0.014 4.541 4.527 -0.000 0.000 0.298 112 F C 2.415 178.297 175.800 0.136 0.000 1.104 112 F CA 0.896 58.971 58.000 0.126 0.000 1.435 112 F CB 0.017 39.062 39.000 0.074 0.000 1.078 112 F HN 0.130 nan 8.300 nan 0.000 0.546 113 Q N -0.236 119.667 119.800 0.173 0.000 2.079 113 Q HA -0.137 4.203 4.340 -0.000 0.000 0.200 113 Q C 2.363 178.398 176.000 0.058 0.000 0.974 113 Q CA 1.638 57.506 55.803 0.109 0.000 0.840 113 Q CB -0.385 28.387 28.738 0.056 0.000 0.898 113 Q HN 0.262 nan 8.270 nan 0.000 0.430 114 V N 0.569 120.486 119.914 0.005 0.000 2.358 114 V HA -0.232 3.888 4.120 -0.000 0.000 0.246 114 V C 1.911 177.995 176.094 -0.017 0.000 1.047 114 V CA 1.653 63.935 62.300 -0.030 0.000 1.035 114 V CB -0.630 31.134 31.823 -0.098 0.000 0.658 114 V HN 0.323 nan 8.190 nan 0.000 0.452 115 F N 2.269 122.161 119.950 -0.097 0.000 2.091 115 F HA -0.123 4.404 4.527 -0.000 0.000 0.299 115 F C 2.182 177.995 175.800 0.022 0.000 1.103 115 F CA 1.769 59.728 58.000 -0.068 0.000 1.228 115 F CB -0.950 37.955 39.000 -0.157 0.000 0.984 115 F HN 0.137 nan 8.300 nan 0.000 0.477 116 G N -0.229 108.545 108.800 -0.042 0.000 2.459 116 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.217 116 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.217 116 G C 1.833 176.629 174.900 -0.174 0.000 1.183 116 G CA 1.124 46.170 45.100 -0.091 0.000 0.776 116 G HN 0.658 nan 8.290 nan 0.000 0.552 117 A N 0.828 123.584 122.820 -0.107 0.000 1.902 117 A HA -0.035 4.285 4.320 -0.000 0.000 0.217 117 A C 2.119 179.626 177.584 -0.128 0.000 1.181 117 A CA 2.136 54.120 52.037 -0.089 0.000 0.623 117 A CB -0.423 18.551 19.000 -0.044 0.000 0.818 117 A HN 0.290 nan 8.150 nan 0.000 0.443 118 D N 0.170 120.467 120.400 -0.173 0.000 2.097 118 D HA -0.063 4.577 4.640 -0.000 0.000 0.195 118 D C 2.273 178.438 176.300 -0.226 0.000 0.989 118 D CA 1.630 55.530 54.000 -0.165 0.000 0.827 118 D CB -0.511 40.201 40.800 -0.146 0.000 0.966 118 D HN 0.405 nan 8.370 nan 0.000 0.456 119 A N 0.654 123.225 122.820 -0.415 0.000 1.877 119 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 119 A C 2.158 179.630 177.584 -0.187 0.000 1.186 119 A CA 1.921 53.734 52.037 -0.372 0.000 0.620 119 A CB -0.579 18.049 19.000 -0.621 0.000 0.822 119 A HN 0.175 nan 8.150 nan 0.000 0.443 120 M N -0.072 119.429 119.600 -0.164 0.000 2.159 120 M HA -0.075 4.405 4.480 -0.000 0.000 0.263 120 M C 1.780 178.039 176.300 -0.068 0.000 1.063 120 M CA 1.504 56.749 55.300 -0.091 0.000 1.110 120 M CB -0.416 32.141 32.600 -0.072 0.000 1.374 120 M HN 0.364 nan 8.290 nan 0.000 0.411 121 R N -0.080 120.377 120.500 -0.072 0.000 2.313 121 R HA 0.214 4.554 4.340 -0.000 0.000 0.199 121 R C 0.958 177.233 176.300 -0.042 0.000 0.958 121 R CA 0.281 56.352 56.100 -0.048 0.000 1.047 121 R CB -0.382 29.893 30.300 -0.042 0.000 0.955 121 R HN 0.455 nan 8.270 nan 0.000 0.481 122 G N 0.912 109.681 108.800 -0.053 0.000 2.557 122 G HA2 0.176 4.136 3.960 -0.000 0.000 0.302 122 G HA3 0.176 4.136 3.960 -0.000 0.000 0.302 122 G C -1.537 173.347 174.900 -0.026 0.000 1.311 122 G CA -1.045 44.033 45.100 -0.038 0.000 1.030 122 G HN -0.109 nan 8.290 nan 0.000 0.509 123 P HA -0.071 nan 4.420 nan 0.000 0.222 123 P C 1.061 178.357 177.300 -0.007 0.000 1.147 123 P CA 0.860 63.955 63.100 -0.008 0.000 0.790 123 P CB 0.353 32.051 31.700 -0.002 0.000 0.780 124 R N -1.050 119.445 120.500 -0.008 0.000 2.334 124 R HA 0.229 4.569 4.340 -0.000 0.000 0.212 124 R C 1.731 178.025 176.300 -0.010 0.000 0.897 124 R CA 0.453 56.552 56.100 -0.002 0.000 1.056 124 R CB -0.235 30.072 30.300 0.010 0.000 1.046 124 R HN 0.150 nan 8.270 nan 0.000 0.513 125 G N 2.292 111.078 108.800 -0.024 0.000 2.685 125 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.329 125 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.329 125 G C 0.876 175.759 174.900 -0.028 0.000 1.271 125 G CA 0.690 45.771 45.100 -0.031 0.000 1.003 125 G HN 0.222 nan 8.290 nan 0.000 0.549 126 L N 0.474 121.685 121.223 -0.019 0.000 2.127 126 L HA -0.089 4.251 4.340 -0.000 0.000 0.211 126 L C 2.980 179.848 176.870 -0.003 0.000 1.089 126 L CA 2.158 56.990 54.840 -0.013 0.000 0.757 126 L CB -0.492 41.560 42.059 -0.013 0.000 0.899 126 L HN 0.509 nan 8.230 nan 0.000 0.434 127 K N 0.073 120.473 120.400 0.001 0.000 2.148 127 K HA -0.083 4.237 4.320 -0.000 0.000 0.204 127 K C 2.243 178.867 176.600 0.039 0.000 1.050 127 K CA 1.218 57.513 56.287 0.012 0.000 0.942 127 K CB -0.208 32.299 32.500 0.011 0.000 0.724 127 K HN 0.280 nan 8.250 nan 0.000 0.446 128 A N 0.935 123.776 122.820 0.036 0.000 1.968 128 A HA -0.064 4.256 4.320 -0.000 0.000 0.217 128 A C 2.321 179.984 177.584 0.133 0.000 1.169 128 A CA 0.939 53.023 52.037 0.078 0.000 0.638 128 A CB -0.459 18.552 19.000 0.018 0.000 0.812 128 A HN 0.043 nan 8.150 nan 0.000 0.446 129 V N -0.424 119.519 119.914 0.049 0.000 2.287 129 V HA 0.120 4.240 4.120 -0.000 0.000 0.248 129 V C 1.674 177.893 176.094 0.210 0.000 1.053 129 V CA 1.290 63.650 62.300 0.100 0.000 1.027 129 V CB -1.960 29.878 31.823 0.026 0.000 0.646 129 V HN 1.278 nan 8.190 nan 0.000 0.447 130 G N 0.364 109.219 108.800 0.092 0.000 2.795 130 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.664 130 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.664 130 G C -1.747 173.091 174.900 -0.104 0.000 1.381 130 G CA -0.064 45.047 45.100 0.017 0.000 0.853 130 G HN 0.338 nan 8.290 nan 0.000 0.545 131 P HA 0.267 nan 4.420 nan 0.000 0.266 131 P C 0.069 177.079 177.300 -0.484 0.000 1.381 131 P CA 0.460 63.307 63.100 -0.421 0.000 0.940 131 P CB 0.055 31.452 31.700 -0.504 0.000 1.435 132 Y N -1.444 118.835 120.300 -0.036 0.000 2.467 132 Y HA 0.117 4.667 4.550 -0.000 0.000 0.250 132 Y C 2.220 178.085 175.900 -0.058 0.000 1.155 132 Y CA -0.150 57.894 58.100 -0.093 0.000 1.249 132 Y CB -0.341 37.954 38.460 -0.275 0.000 1.146 132 Y HN -0.266 nan 8.280 nan 0.000 0.524 133 V N -1.246 118.744 119.914 0.127 0.000 2.453 133 V HA -0.206 3.914 4.120 -0.000 0.000 0.247 133 V C 2.122 178.282 176.094 0.109 0.000 1.048 133 V CA 1.420 63.807 62.300 0.145 0.000 1.049 133 V CB -0.644 31.331 31.823 0.253 0.000 0.672 133 V HN 0.215 nan 8.190 nan 0.000 0.457 134 V N 1.261 121.235 119.914 0.099 0.000 2.287 134 V HA -0.298 3.822 4.120 -0.000 0.000 0.248 134 V C 2.835 178.979 176.094 0.084 0.000 1.053 134 V CA 2.745 65.096 62.300 0.086 0.000 1.027 134 V CB -1.273 30.593 31.823 0.072 0.000 0.646 134 V HN 0.829 nan 8.190 nan 0.000 0.447 135 T N -2.018 112.604 114.554 0.114 0.000 2.915 135 T HA -0.174 4.176 4.350 -0.000 0.000 0.269 135 T C 1.734 176.458 174.700 0.040 0.000 1.071 135 T CA 1.304 63.466 62.100 0.103 0.000 1.132 135 T CB -0.251 68.742 68.868 0.209 0.000 0.878 135 T HN 0.486 nan 8.240 nan 0.000 0.479 136 K N 1.119 121.504 120.400 -0.024 0.000 2.137 136 K HA 0.339 4.659 4.320 -0.000 0.000 0.202 136 K C 2.635 179.242 176.600 0.012 0.000 1.052 136 K CA 0.953 57.153 56.287 -0.144 0.000 0.961 136 K CB -0.149 32.006 32.500 -0.575 0.000 0.741 136 K HN 0.415 nan 8.250 nan 0.000 0.452 137 A N 1.850 124.719 122.820 0.081 0.000 2.081 137 A HA 0.086 4.406 4.320 -0.000 0.000 0.214 137 A C 1.220 178.856 177.584 0.086 0.000 1.158 137 A CA -0.102 52.010 52.037 0.125 0.000 0.724 137 A CB -0.399 18.695 19.000 0.157 0.000 0.826 137 A HN 0.312 nan 8.150 nan 0.000 0.463 138 M N -1.665 117.977 119.600 0.070 0.000 2.250 138 M HA 0.482 4.962 4.480 -0.000 0.000 0.325 138 M C 0.982 177.318 176.300 0.060 0.000 1.084 138 M CA 0.426 55.761 55.300 0.060 0.000 1.161 138 M CB 0.489 33.121 32.600 0.053 0.000 1.481 138 M HN 0.050 nan 8.290 nan 0.000 0.449 139 A N 1.988 124.842 122.820 0.057 0.000 1.978 139 A HA -0.117 4.203 4.320 -0.000 0.000 0.220 139 A C 2.051 179.675 177.584 0.067 0.000 1.170 139 A CA 2.038 54.111 52.037 0.061 0.000 0.636 139 A CB -1.020 18.013 19.000 0.055 0.000 0.810 139 A HN 1.015 nan 8.150 nan 0.000 0.448 140 S N -0.732 115.007 115.700 0.066 0.000 2.671 140 S HA 0.283 4.753 4.470 -0.000 0.000 0.220 140 S C 1.633 176.272 174.600 0.065 0.000 0.951 140 S CA 0.571 58.815 58.200 0.074 0.000 0.932 140 S CB -0.401 62.846 63.200 0.077 0.000 0.777 140 S HN 0.601 nan 8.310 nan 0.000 0.508 141 G N 2.158 110.992 108.800 0.057 0.000 2.469 141 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.219 141 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.219 141 G C 1.302 176.233 174.900 0.051 0.000 1.150 141 G CA 1.221 46.349 45.100 0.047 0.000 0.763 141 G HN 0.483 nan 8.290 nan 0.000 0.561 142 V N 1.752 121.702 119.914 0.060 0.000 2.295 142 V HA -0.222 3.898 4.120 -0.000 0.000 0.246 142 V C 3.290 179.430 176.094 0.078 0.000 1.049 142 V CA 2.548 64.890 62.300 0.070 0.000 1.024 142 V CB -0.578 31.288 31.823 0.071 0.000 0.648 142 V HN 0.637 nan 8.190 nan 0.000 0.447 143 S N 0.772 116.516 115.700 0.072 0.000 2.387 143 S HA -0.066 4.404 4.470 -0.000 0.000 0.226 143 S C 2.115 176.757 174.600 0.070 0.000 1.026 143 S CA 1.137 59.378 58.200 0.068 0.000 0.972 143 S CB -0.502 62.738 63.200 0.066 0.000 0.814 143 S HN 0.552 nan 8.310 nan 0.000 0.477 144 A N 0.971 123.825 122.820 0.057 0.000 1.877 144 A HA -0.056 4.264 4.320 -0.000 0.000 0.216 144 A C 2.408 180.003 177.584 0.019 0.000 1.186 144 A CA 1.498 53.553 52.037 0.030 0.000 0.620 144 A CB -1.489 17.517 19.000 0.010 0.000 0.822 144 A HN 0.688 nan 8.150 nan 0.000 0.443 145 C N -1.215 118.106 119.300 0.036 0.000 2.437 145 C HA 0.093 4.553 4.460 -0.000 0.000 0.283 145 C C 2.321 177.389 174.990 0.129 0.000 1.424 145 C CA 0.776 59.818 59.018 0.039 0.000 1.782 145 C CB -1.233 26.531 27.740 0.040 0.000 1.833 145 C HN 0.531 nan 8.230 nan 0.000 0.532 146 L N 0.349 121.685 121.223 0.188 0.000 2.388 146 L HA 0.255 4.595 4.340 -0.000 0.000 0.209 146 L C 2.626 179.685 176.870 0.314 0.000 1.061 146 L CA 1.509 56.558 54.840 0.348 0.000 0.834 146 L CB -1.158 41.074 42.059 0.288 0.000 1.029 146 L HN 0.164 nan 8.230 nan 0.000 0.473 147 A N -0.816 122.109 122.820 0.175 0.000 1.940 147 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 147 A C 2.292 179.961 177.584 0.142 0.000 1.176 147 A CA 2.443 54.571 52.037 0.152 0.000 0.631 147 A CB -0.933 18.127 19.000 0.099 0.000 0.814 147 A HN 0.416 nan 8.150 nan 0.000 0.446 148 T N 0.328 114.930 114.554 0.080 0.000 2.698 148 T HA -0.046 4.304 4.350 -0.000 0.000 0.260 148 T C -0.034 174.681 174.700 0.026 0.000 1.044 148 T CA 1.673 63.789 62.100 0.027 0.000 1.149 148 T CB -1.249 67.578 68.868 -0.068 0.000 0.864 148 T HN 0.396 nan 8.240 nan 0.000 0.419 149 P HA -0.009 nan 4.420 nan 0.000 0.215 149 P C 0.798 178.016 177.300 -0.136 0.000 1.153 149 P CA 0.993 64.041 63.100 -0.086 0.000 0.853 149 P CB -0.221 31.427 31.700 -0.087 0.000 0.788 150 F N -0.436 119.570 119.950 0.093 0.000 2.804 150 F HA 0.136 4.663 4.527 -0.000 0.000 0.303 150 F C 0.763 176.614 175.800 0.085 0.000 1.154 150 F CA 0.084 58.139 58.000 0.092 0.000 1.401 150 F CB -0.700 38.287 39.000 -0.022 0.000 1.106 150 F HN -0.220 nan 8.300 nan 0.000 0.568 151 K N 0.791 121.284 120.400 0.156 0.000 3.148 151 K HA -0.202 4.118 4.320 -0.000 0.000 0.267 151 K C -0.395 176.253 176.600 0.081 0.000 0.996 151 K CA 0.008 56.339 56.287 0.074 0.000 0.737 151 K CB -1.679 30.788 32.500 -0.055 0.000 1.308 151 K HN 0.165 nan 8.250 nan 0.000 0.470 152 I N 0.903 121.588 120.570 0.191 0.000 2.529 152 I HA 0.004 4.174 4.170 -0.000 0.000 0.284 152 I C 1.751 178.047 176.117 0.299 0.000 1.082 152 I CA 0.506 61.931 61.300 0.209 0.000 1.406 152 I CB 0.641 38.758 38.000 0.195 0.000 1.405 152 I HN 0.284 nan 8.210 nan 0.000 0.548 153 H N 3.028 122.145 119.070 0.078 0.000 3.046 153 H HA 0.180 4.736 4.556 -0.000 0.000 0.262 153 H C 1.296 176.649 175.328 0.042 0.000 1.044 153 H CA -0.014 56.065 56.048 0.050 0.000 1.209 153 H CB 1.429 31.215 29.762 0.039 0.000 1.507 153 H HN 0.767 nan 8.280 nan 0.000 0.507 154 G N 1.099 109.996 108.800 0.161 0.000 2.624 154 G HA2 0.224 4.184 3.960 -0.000 0.000 0.217 154 G HA3 0.224 4.184 3.960 -0.000 0.000 0.217 154 G C 0.137 175.069 174.900 0.053 0.000 1.506 154 G CA 0.026 45.176 45.100 0.084 0.000 1.072 154 G HN 0.121 nan 8.290 nan 0.000 0.568 155 V N -0.687 119.233 119.914 0.010 0.000 2.788 155 V HA 0.395 4.515 4.120 -0.000 0.000 0.307 155 V C -0.214 175.825 176.094 -0.091 0.000 1.069 155 V CA -0.296 61.987 62.300 -0.027 0.000 1.173 155 V CB 0.965 32.721 31.823 -0.111 0.000 0.925 155 V HN 0.743 nan 8.190 nan 0.000 0.492 156 N N 3.690 122.358 118.700 -0.054 0.000 2.549 156 N HA 0.596 5.336 4.740 -0.000 0.000 0.290 156 N C -1.164 174.393 175.510 0.079 0.000 1.122 156 N CA -0.572 52.456 53.050 -0.038 0.000 0.885 156 N CB 1.400 39.916 38.487 0.049 0.000 1.455 156 N HN 1.025 nan 8.380 nan 0.000 0.521 157 Y N -1.029 119.296 120.300 0.041 0.000 2.810 157 Y HA 0.605 5.155 4.550 -0.000 0.000 0.355 157 Y C -1.437 174.487 175.900 0.039 0.000 1.211 157 Y CA -1.188 56.933 58.100 0.035 0.000 1.112 157 Y CB 0.290 38.767 38.460 0.028 0.000 1.383 157 Y HN 0.169 nan 8.280 nan 0.000 0.458 158 S N 1.403 117.297 115.700 0.325 0.000 2.578 158 S HA 0.778 5.248 4.470 -0.000 0.000 0.301 158 S C -0.883 173.867 174.600 0.250 0.000 1.091 158 S CA -0.770 57.562 58.200 0.219 0.000 1.032 158 S CB 1.457 64.739 63.200 0.137 0.000 1.064 158 S HN 0.539 nan 8.310 nan 0.000 0.508 159 I N 1.429 122.119 120.570 0.201 0.000 2.603 159 I HA 0.489 4.659 4.170 -0.000 0.000 0.300 159 I C -0.355 175.846 176.117 0.139 0.000 1.017 159 I CA -0.344 61.057 61.300 0.169 0.000 1.098 159 I CB 2.193 40.307 38.000 0.189 0.000 1.279 159 I HN 0.452 nan 8.210 nan 0.000 0.437 160 S N 2.175 117.946 115.700 0.118 0.000 2.557 160 S HA 0.542 5.012 4.470 -0.000 0.000 0.291 160 S C -0.459 174.223 174.600 0.137 0.000 1.116 160 S CA -0.604 57.670 58.200 0.124 0.000 0.992 160 S CB 1.709 64.969 63.200 0.100 0.000 1.028 160 S HN 0.702 nan 8.310 nan 0.000 0.484 161 S N 0.750 116.562 115.700 0.187 0.000 2.589 161 S HA 0.625 5.095 4.470 -0.000 0.000 0.210 161 S C 0.473 175.219 174.600 0.243 0.000 0.803 161 S CA -0.138 58.194 58.200 0.220 0.000 1.061 161 S CB -0.171 63.230 63.200 0.336 0.000 1.637 161 S HN 1.584 nan 8.310 nan 0.000 0.462 162 A N 0.936 123.886 122.820 0.217 0.000 5.308 162 A HA -0.366 3.954 4.320 -0.000 0.000 0.321 162 A C 1.803 179.533 177.584 0.243 0.000 1.849 162 A CA 1.534 53.723 52.037 0.254 0.000 0.713 162 A CB -2.294 16.927 19.000 0.368 0.000 1.360 162 A HN 1.503 nan 8.150 nan 0.000 0.384 163 C N 0.076 119.568 119.300 0.320 0.000 2.419 163 C HA 0.311 4.771 4.460 -0.000 0.000 0.283 163 C C 2.858 177.967 174.990 0.199 0.000 1.373 163 C CA 1.308 60.513 59.018 0.311 0.000 1.781 163 C CB -1.905 26.130 27.740 0.491 0.000 1.886 163 C HN 1.441 nan 8.230 nan 0.000 0.520 164 A N 0.338 123.257 122.820 0.165 0.000 2.275 164 A HA 0.118 4.438 4.320 -0.000 0.000 0.212 164 A C 1.918 179.550 177.584 0.080 0.000 1.201 164 A CA 1.003 53.068 52.037 0.046 0.000 0.843 164 A CB -0.670 18.331 19.000 0.001 0.000 0.873 164 A HN 0.483 nan 8.150 nan 0.000 0.492 165 T N 1.423 116.079 114.554 0.170 0.000 2.531 165 T HA -0.261 4.089 4.350 -0.000 0.000 0.261 165 T C 2.259 177.034 174.700 0.124 0.000 1.141 165 T CA 2.672 64.878 62.100 0.177 0.000 1.176 165 T CB -0.510 68.439 68.868 0.135 0.000 0.863 165 T HN 0.800 nan 8.240 nan 0.000 0.424 166 S N 1.455 117.190 115.700 0.059 0.000 2.481 166 S HA 0.225 4.695 4.470 -0.000 0.000 0.231 166 S C 2.279 176.867 174.600 -0.020 0.000 0.996 166 S CA 0.707 58.918 58.200 0.019 0.000 0.942 166 S CB -0.391 62.804 63.200 -0.008 0.000 0.768 166 S HN 0.556 nan 8.310 nan 0.000 0.520 167 A N 1.809 124.601 122.820 -0.046 0.000 1.897 167 A HA 0.005 4.325 4.320 -0.000 0.000 0.215 167 A C 1.911 179.445 177.584 -0.083 0.000 1.181 167 A CA 1.294 53.273 52.037 -0.098 0.000 0.620 167 A CB -1.009 17.908 19.000 -0.139 0.000 0.821 167 A HN 0.656 nan 8.150 nan 0.000 0.443 168 H N -1.528 117.585 119.070 0.071 0.000 2.387 168 H HA -0.142 4.414 4.556 -0.000 0.000 0.299 168 H C 2.215 177.537 175.328 -0.011 0.000 1.090 168 H CA 1.370 57.481 56.048 0.104 0.000 1.332 168 H CB -0.177 29.680 29.762 0.159 0.000 1.386 168 H HN 0.537 nan 8.280 nan 0.000 0.516 169 C N 0.225 119.589 119.300 0.107 0.000 2.413 169 C HA -0.156 4.304 4.460 -0.000 0.000 0.276 169 C C 2.697 177.640 174.990 -0.078 0.000 1.236 169 C CA 0.914 59.950 59.018 0.031 0.000 1.735 169 C CB -0.851 26.903 27.740 0.023 0.000 2.031 169 C HN 0.521 nan 8.230 nan 0.000 0.474 170 I N 0.959 121.452 120.570 -0.127 0.000 2.226 170 I HA -0.111 4.059 4.170 -0.000 0.000 0.245 170 I C 2.683 178.598 176.117 -0.336 0.000 1.100 170 I CA 1.790 62.974 61.300 -0.194 0.000 1.374 170 I CB -0.788 37.108 38.000 -0.173 0.000 1.057 170 I HN 0.453 nan 8.210 nan 0.000 0.413 171 G N 0.258 108.700 108.800 -0.597 0.000 2.408 171 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.217 171 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.217 171 G C 1.504 175.983 174.900 -0.702 0.000 1.150 171 G CA 0.503 44.774 45.100 -1.381 0.000 0.776 171 G HN 0.309 nan 8.290 nan 0.000 0.542 172 N N 0.938 119.469 118.700 -0.281 0.000 2.270 172 N HA -0.038 4.702 4.740 -0.000 0.000 0.181 172 N C 2.553 178.029 175.510 -0.057 0.000 1.016 172 N CA 0.996 54.029 53.050 -0.027 0.000 0.870 172 N CB -0.062 38.489 38.487 0.107 0.000 0.979 172 N HN 0.254 nan 8.380 nan 0.000 0.431 173 A N 0.676 123.423 122.820 -0.123 0.000 1.902 173 A HA -0.076 4.244 4.320 -0.000 0.000 0.217 173 A C 2.481 179.996 177.584 -0.114 0.000 1.181 173 A CA 1.147 53.107 52.037 -0.128 0.000 0.623 173 A CB -0.757 18.150 19.000 -0.155 0.000 0.818 173 A HN 0.132 nan 8.150 nan 0.000 0.443 174 V N 0.134 119.965 119.914 -0.139 0.000 2.295 174 V HA -0.297 3.823 4.120 -0.000 0.000 0.246 174 V C 2.422 178.495 176.094 -0.034 0.000 1.049 174 V CA 2.390 64.632 62.300 -0.095 0.000 1.024 174 V CB -0.872 30.882 31.823 -0.115 0.000 0.648 174 V HN 0.654 nan 8.190 nan 0.000 0.447 175 E N -0.607 119.589 120.200 -0.007 0.000 2.085 175 E HA -0.258 4.092 4.350 -0.000 0.000 0.194 175 E C 2.404 179.020 176.600 0.027 0.000 0.994 175 E CA 1.213 57.642 56.400 0.049 0.000 0.801 175 E CB -0.171 29.591 29.700 0.103 0.000 0.743 175 E HN 0.531 nan 8.360 nan 0.000 0.453 176 Q N 0.252 120.057 119.800 0.007 0.000 2.096 176 Q HA -0.180 4.159 4.340 -0.000 0.000 0.204 176 Q C 2.277 178.266 176.000 -0.017 0.000 0.982 176 Q CA 1.033 56.835 55.803 -0.001 0.000 0.850 176 Q CB -0.240 28.481 28.738 -0.028 0.000 0.901 176 Q HN 0.331 nan 8.270 nan 0.000 0.422 177 I N 1.119 121.667 120.570 -0.037 0.000 2.142 177 I HA -0.261 3.909 4.170 -0.000 0.000 0.240 177 I C 2.347 178.455 176.117 -0.014 0.000 1.078 177 I CA 1.392 62.668 61.300 -0.041 0.000 1.343 177 I CB -1.347 36.620 38.000 -0.055 0.000 1.046 177 I HN 0.313 nan 8.210 nan 0.000 0.405 178 Q N 0.231 120.031 119.800 -0.000 0.000 2.152 178 Q HA -0.172 4.168 4.340 -0.000 0.000 0.206 178 Q C 2.214 178.224 176.000 0.017 0.000 0.985 178 Q CA 1.262 57.074 55.803 0.015 0.000 0.863 178 Q CB -0.217 28.540 28.738 0.033 0.000 0.904 178 Q HN 0.487 nan 8.270 nan 0.000 0.422 179 L N -0.833 120.401 121.223 0.019 0.000 2.552 179 L HA 0.077 4.417 4.340 -0.000 0.000 0.227 179 L C 1.197 178.075 176.870 0.013 0.000 1.146 179 L CA 0.419 55.271 54.840 0.020 0.000 0.858 179 L CB -0.137 41.938 42.059 0.027 0.000 0.969 179 L HN 0.425 nan 8.230 nan 0.000 0.451 180 G N 0.209 109.013 108.800 0.005 0.000 2.143 180 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.248 180 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.248 180 G C 0.958 175.858 174.900 0.000 0.000 0.991 180 G CA 0.571 45.672 45.100 0.002 0.000 0.689 180 G HN 0.403 nan 8.290 nan 0.000 0.522 181 K N -0.959 119.440 120.400 -0.001 0.000 2.314 181 K HA 0.122 4.442 4.320 -0.000 0.000 0.198 181 K C 0.973 177.565 176.600 -0.012 0.000 1.045 181 K CA 0.736 57.024 56.287 0.003 0.000 0.988 181 K CB 0.106 32.615 32.500 0.016 0.000 0.783 181 K HN 0.424 nan 8.250 nan 0.000 0.484 182 Q N -0.339 119.440 119.800 -0.036 0.000 2.421 182 Q HA 0.150 4.490 4.340 -0.000 0.000 0.280 182 Q C -0.515 175.418 176.000 -0.112 0.000 1.085 182 Q CA -0.366 55.396 55.803 -0.069 0.000 0.807 182 Q CB 1.967 30.656 28.738 -0.082 0.000 1.405 182 Q HN -0.062 nan 8.270 nan 0.000 0.419 183 D N 0.111 120.402 120.400 -0.181 0.000 2.324 183 D HA 0.296 4.936 4.640 -0.000 0.000 0.212 183 D C 0.243 176.315 176.300 -0.380 0.000 0.984 183 D CA 0.760 54.571 54.000 -0.315 0.000 0.885 183 D CB 1.340 41.817 40.800 -0.538 0.000 0.996 183 D HN 0.350 nan 8.370 nan 0.000 0.505 184 I N 0.540 120.912 120.570 -0.330 0.000 2.722 184 I HA 0.271 4.441 4.170 -0.000 0.000 0.295 184 I C -1.266 174.647 176.117 -0.341 0.000 1.161 184 I CA -0.808 60.273 61.300 -0.365 0.000 1.032 184 I CB 3.390 41.138 38.000 -0.420 0.000 1.244 184 I HN -0.421 nan 8.210 nan 0.000 0.421 185 V N 5.526 125.200 119.914 -0.399 0.000 2.612 185 V HA 0.377 4.497 4.120 -0.000 0.000 0.301 185 V C -0.719 175.118 176.094 -0.429 0.000 1.059 185 V CA -0.597 61.507 62.300 -0.327 0.000 0.886 185 V CB 1.756 33.455 31.823 -0.208 0.000 1.007 185 V HN 0.385 nan 8.190 nan 0.000 0.426 186 F N 3.311 123.158 119.950 -0.172 0.000 2.467 186 F HA 0.651 5.178 4.527 -0.000 0.000 0.362 186 F C 0.767 176.464 175.800 -0.173 0.000 1.090 186 F CA 0.140 58.019 58.000 -0.201 0.000 1.202 186 F CB 1.100 39.939 39.000 -0.270 0.000 1.113 186 F HN 0.587 nan 8.300 nan 0.000 0.541 187 A N 2.557 125.353 122.820 -0.041 0.000 2.393 187 A HA 0.911 5.231 4.320 -0.000 0.000 0.306 187 A C -0.102 177.451 177.584 -0.051 0.000 1.050 187 A CA 0.115 52.115 52.037 -0.062 0.000 0.724 187 A CB 1.414 20.350 19.000 -0.106 0.000 1.248 187 A HN 1.009 nan 8.150 nan 0.000 0.424 188 G N -0.100 108.679 108.800 -0.035 0.000 2.498 188 G HA2 0.782 4.742 3.960 -0.000 0.000 0.181 188 G HA3 0.782 4.742 3.960 -0.000 0.000 0.181 188 G C -0.145 174.753 174.900 -0.003 0.000 1.169 188 G CA 0.407 45.488 45.100 -0.032 0.000 0.992 188 G HN 2.310 nan 8.290 nan 0.000 0.490 189 G N -2.185 106.620 108.800 0.008 0.000 2.322 189 G HA2 0.773 4.733 3.960 -0.000 0.000 0.295 189 G HA3 0.773 4.733 3.960 -0.000 0.000 0.295 189 G C -0.591 174.341 174.900 0.055 0.000 1.369 189 G CA 0.596 45.718 45.100 0.036 0.000 0.821 189 G HN 2.012 nan 8.290 nan 0.000 0.536 190 G N -1.252 107.595 108.800 0.078 0.000 2.692 190 G HA2 0.692 4.652 3.960 -0.000 0.000 0.291 190 G HA3 0.692 4.652 3.960 -0.000 0.000 0.291 190 G C -1.912 173.059 174.900 0.118 0.000 1.423 190 G CA -0.333 44.842 45.100 0.124 0.000 0.843 190 G HN 0.690 nan 8.290 nan 0.000 0.486 191 E N -0.298 120.004 120.200 0.170 0.000 2.304 191 E HA 0.364 4.714 4.350 -0.000 0.000 0.277 191 E C -0.307 176.411 176.600 0.196 0.000 0.898 191 E CA -0.680 55.797 56.400 0.129 0.000 0.764 191 E CB 1.584 31.320 29.700 0.061 0.000 1.216 191 E HN 0.689 nan 8.360 nan 0.000 0.419 192 E N 3.045 123.319 120.200 0.123 0.000 2.345 192 E HA 0.419 4.769 4.350 -0.000 0.000 0.259 192 E C -0.742 175.915 176.600 0.094 0.000 1.117 192 E CA -0.870 55.599 56.400 0.116 0.000 0.913 192 E CB 1.141 30.865 29.700 0.040 0.000 1.057 192 E HN 0.233 nan 8.360 nan 0.000 0.432 193 L N 2.549 123.806 121.223 0.056 0.000 2.319 193 L HA 0.419 4.759 4.340 -0.000 0.000 0.281 193 L C -1.212 175.702 176.870 0.073 0.000 1.005 193 L CA -0.513 54.324 54.840 -0.005 0.000 0.828 193 L CB 0.554 42.446 42.059 -0.278 0.000 1.227 193 L HN 0.915 nan 8.230 nan 0.000 0.415 194 C N 2.150 121.548 119.300 0.163 0.000 3.239 194 C HA 0.441 4.901 4.460 -0.000 0.000 0.329 194 C C 1.130 176.219 174.990 0.165 0.000 1.252 194 C CA -1.083 58.026 59.018 0.153 0.000 1.323 194 C CB 0.767 28.459 27.740 -0.079 0.000 1.663 194 C HN 1.019 nan 8.230 nan 0.000 0.487 195 W N 0.969 122.376 121.300 0.179 0.000 2.402 195 W HA 0.008 4.668 4.660 -0.000 0.000 0.286 195 W C 1.011 177.583 176.519 0.089 0.000 1.221 195 W CA 1.804 59.215 57.345 0.109 0.000 1.257 195 W CB -0.944 28.540 29.460 0.040 0.000 1.120 195 W HN 0.865 nan 8.180 nan 0.000 0.551 196 E N 0.919 120.508 120.200 -1.019 0.000 2.085 196 E HA -0.255 4.095 4.350 -0.000 0.000 0.194 196 E C 2.316 178.735 176.600 -0.301 0.000 0.994 196 E CA 2.639 58.439 56.400 -0.999 0.000 0.801 196 E CB -0.648 28.490 29.700 -0.936 0.000 0.743 196 E HN 0.380 nan 8.360 nan 0.000 0.453 197 M N -0.451 119.070 119.600 -0.131 0.000 2.248 197 M HA 0.089 4.569 4.480 -0.000 0.000 0.265 197 M C 2.073 178.496 176.300 0.205 0.000 1.079 197 M CA 1.332 56.658 55.300 0.042 0.000 1.150 197 M CB 0.111 32.777 32.600 0.110 0.000 1.366 197 M HN 0.131 nan 8.290 nan 0.000 0.433 198 A N 0.349 123.314 122.820 0.242 0.000 1.902 198 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 198 A C 2.357 180.104 177.584 0.271 0.000 1.181 198 A CA 1.764 53.992 52.037 0.318 0.000 0.623 198 A CB -1.766 17.398 19.000 0.273 0.000 0.818 198 A HN 0.879 nan 8.150 nan 0.000 0.443 199 C N -0.571 118.871 119.300 0.238 0.000 2.419 199 C HA -0.047 4.413 4.460 -0.000 0.000 0.281 199 C C 2.149 177.205 174.990 0.110 0.000 1.336 199 C CA 1.015 60.151 59.018 0.197 0.000 1.770 199 C CB -1.558 26.349 27.740 0.279 0.000 1.929 199 C HN 0.653 nan 8.230 nan 0.000 0.509 200 E N 0.441 120.668 120.200 0.045 0.000 2.110 200 E HA -0.094 4.256 4.350 -0.000 0.000 0.193 200 E C 1.773 178.269 176.600 -0.173 0.000 0.988 200 E CA 1.463 57.796 56.400 -0.111 0.000 0.804 200 E CB -0.309 29.238 29.700 -0.255 0.000 0.745 200 E HN 0.769 nan 8.360 nan 0.000 0.458 201 F N 1.128 121.073 119.950 -0.008 0.000 2.206 201 F HA -0.143 4.384 4.527 -0.000 0.000 0.298 201 F C 2.231 178.006 175.800 -0.042 0.000 1.090 201 F CA 1.088 59.069 58.000 -0.032 0.000 1.323 201 F CB -0.166 38.809 39.000 -0.041 0.000 1.028 201 F HN -0.022 nan 8.300 nan 0.000 0.492 202 D N 0.232 120.716 120.400 0.141 0.000 2.144 202 D HA -0.134 4.506 4.640 -0.000 0.000 0.199 202 D C 2.243 178.577 176.300 0.057 0.000 0.984 202 D CA 1.233 55.274 54.000 0.069 0.000 0.834 202 D CB -0.236 40.605 40.800 0.069 0.000 0.955 202 D HN 0.168 nan 8.370 nan 0.000 0.465 203 A N 0.627 123.476 122.820 0.048 0.000 2.070 203 A HA -0.117 4.203 4.320 -0.000 0.000 0.220 203 A C 2.161 179.764 177.584 0.031 0.000 1.159 203 A CA 1.623 53.678 52.037 0.031 0.000 0.656 203 A CB -0.733 18.276 19.000 0.016 0.000 0.800 203 A HN 0.513 nan 8.150 nan 0.000 0.453 204 M N -3.173 116.451 119.600 0.039 0.000 2.431 204 M HA 0.471 4.950 4.480 -0.000 0.000 0.237 204 M C 1.014 177.376 176.300 0.103 0.000 1.130 204 M CA 0.601 55.940 55.300 0.065 0.000 1.002 204 M CB 0.061 32.700 32.600 0.066 0.000 1.524 204 M HN 0.540 nan 8.290 nan 0.000 0.482 205 G N 0.950 109.801 108.800 0.086 0.000 2.160 205 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.251 205 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.251 205 G C 0.725 175.689 174.900 0.107 0.000 1.008 205 G CA 0.345 45.495 45.100 0.082 0.000 0.724 205 G HN 0.779 nan 8.290 nan 0.000 0.514 206 A N -0.982 121.918 122.820 0.134 0.000 2.178 206 A HA 0.666 4.986 4.320 -0.000 0.000 0.211 206 A C 1.192 178.711 177.584 -0.109 0.000 1.157 206 A CA 0.702 52.844 52.037 0.175 0.000 0.780 206 A CB 0.149 19.425 19.000 0.461 0.000 0.828 206 A HN 0.657 nan 8.150 nan 0.000 0.476 207 L N -0.434 120.672 121.223 -0.195 0.000 2.344 207 L HA 0.390 4.730 4.340 -0.000 0.000 0.272 207 L C 0.694 177.502 176.870 -0.103 0.000 1.035 207 L CA -0.693 53.953 54.840 -0.323 0.000 0.807 207 L CB 1.633 43.503 42.059 -0.315 0.000 1.237 207 L HN 0.113 nan 8.230 nan 0.000 0.442 208 S N 0.002 115.666 115.700 -0.061 0.000 2.525 208 S HA 0.109 4.579 4.470 -0.000 0.000 0.285 208 S C 0.765 175.382 174.600 0.029 0.000 1.283 208 S CA 0.164 58.395 58.200 0.051 0.000 1.072 208 S CB 0.304 63.559 63.200 0.092 0.000 0.867 208 S HN 0.824 nan 8.310 nan 0.000 0.492 209 T N 1.609 116.184 114.554 0.034 0.000 3.016 209 T HA 0.346 4.696 4.350 -0.000 0.000 0.271 209 T C 0.838 175.495 174.700 -0.072 0.000 0.968 209 T CA -0.422 61.647 62.100 -0.052 0.000 0.891 209 T CB -0.039 68.785 68.868 -0.072 0.000 1.149 209 T HN 0.605 nan 8.240 nan 0.000 0.524 210 K N 0.238 120.614 120.400 -0.039 0.000 2.374 210 K HA 0.241 4.561 4.320 -0.000 0.000 0.196 210 K C -0.388 175.941 176.600 -0.451 0.000 1.023 210 K CA 0.197 56.327 56.287 -0.261 0.000 1.103 210 K CB 0.249 32.526 32.500 -0.373 0.000 0.848 210 K HN 0.449 nan 8.250 nan 0.000 0.528 211 Y N -0.152 120.140 120.300 -0.014 0.000 2.716 211 Y HA 0.200 4.750 4.550 -0.000 0.000 0.260 211 Y C 0.868 176.783 175.900 0.024 0.000 1.141 211 Y CA -0.658 57.446 58.100 0.007 0.000 1.168 211 Y CB 0.108 38.580 38.460 0.020 0.000 1.189 211 Y HN -0.006 nan 8.280 nan 0.000 0.549 212 N N 0.925 119.685 118.700 0.101 0.000 2.289 212 N HA -0.159 4.581 4.740 -0.000 0.000 0.184 212 N C 1.227 176.847 175.510 0.183 0.000 1.016 212 N CA 1.766 54.909 53.050 0.154 0.000 0.872 212 N CB -0.134 38.412 38.487 0.098 0.000 0.973 212 N HN 0.605 nan 8.380 nan 0.000 0.433 213 D N -0.259 120.199 120.400 0.096 0.000 2.347 213 D HA -0.060 4.580 4.640 -0.000 0.000 0.215 213 D C 0.370 176.712 176.300 0.070 0.000 0.976 213 D CA 0.615 54.645 54.000 0.049 0.000 0.884 213 D CB -0.537 40.266 40.800 0.006 0.000 0.915 213 D HN 0.185 nan 8.370 nan 0.000 0.526 214 T N -3.050 111.578 114.554 0.123 0.000 3.504 214 T HA 0.405 4.755 4.350 -0.000 0.000 0.286 214 T C -2.252 172.537 174.700 0.148 0.000 1.530 214 T CA -1.685 60.491 62.100 0.127 0.000 1.652 214 T CB 1.554 70.508 68.868 0.143 0.000 0.895 214 T HN -0.278 nan 8.240 nan 0.000 0.674 215 P HA -0.205 nan 4.420 nan 0.000 0.217 215 P C 1.347 178.707 177.300 0.101 0.000 1.158 215 P CA 1.458 64.649 63.100 0.152 0.000 0.887 215 P CB 0.121 31.932 31.700 0.184 0.000 0.792 216 E N -0.943 119.305 120.200 0.079 0.000 2.409 216 E HA -0.122 4.228 4.350 -0.000 0.000 0.198 216 E C 1.233 177.835 176.600 0.004 0.000 1.024 216 E CA 0.619 57.045 56.400 0.043 0.000 0.861 216 E CB -0.183 29.540 29.700 0.038 0.000 0.788 216 E HN 0.260 nan 8.360 nan 0.000 0.521 217 K N -0.325 120.072 120.400 -0.005 0.000 2.358 217 K HA 0.215 4.535 4.320 -0.000 0.000 0.197 217 K C 1.456 177.874 176.600 -0.303 0.000 1.025 217 K CA 0.191 56.420 56.287 -0.096 0.000 1.104 217 K CB 0.759 33.244 32.500 -0.024 0.000 0.855 217 K HN 0.017 nan 8.250 nan 0.000 0.531 218 A N 1.087 123.798 122.820 -0.182 0.000 1.898 218 A HA -0.050 4.270 4.320 -0.000 0.000 0.216 218 A C 1.445 178.885 177.584 -0.239 0.000 1.181 218 A CA 1.044 52.928 52.037 -0.255 0.000 0.620 218 A CB -0.130 18.891 19.000 0.035 0.000 0.819 218 A HN 0.170 nan 8.150 nan 0.000 0.442 219 S N 0.699 116.330 115.700 -0.115 0.000 2.416 219 S HA 0.426 4.896 4.470 -0.000 0.000 0.287 219 S C 0.228 174.758 174.600 -0.117 0.000 1.139 219 S CA -0.664 57.493 58.200 -0.073 0.000 1.058 219 S CB -0.117 63.075 63.200 -0.013 0.000 0.967 219 S HN 0.486 nan 8.310 nan 0.000 0.495 220 R N 2.887 123.309 120.500 -0.129 0.000 2.638 220 R HA 0.192 4.532 4.340 -0.000 0.000 0.261 220 R C -0.775 175.460 176.300 -0.109 0.000 1.515 220 R CA -0.637 55.393 56.100 -0.117 0.000 1.623 220 R CB -0.914 29.296 30.300 -0.150 0.000 1.347 220 R HN 0.436 nan 8.270 nan 0.000 0.705 221 T N 2.237 116.681 114.554 -0.184 0.000 2.849 221 T HA -0.089 4.261 4.350 -0.000 0.000 0.289 221 T C 0.025 174.535 174.700 -0.316 0.000 1.010 221 T CA 1.028 62.893 62.100 -0.393 0.000 1.161 221 T CB -0.135 68.357 68.868 -0.628 0.000 0.989 221 T HN 0.557 nan 8.240 nan 0.000 0.523 222 Y N -1.234 119.065 120.300 -0.002 0.000 4.545 222 Y HA -0.224 4.325 4.550 -0.000 0.000 0.306 222 Y C 0.782 176.685 175.900 0.006 0.000 1.060 222 Y CA 0.575 58.677 58.100 0.003 0.000 1.834 222 Y CB -2.180 36.281 38.460 0.002 0.000 1.008 222 Y HN 0.785 nan 8.280 nan 0.000 0.436 223 D N 0.714 121.185 120.400 0.117 0.000 2.414 223 D HA 0.513 5.153 4.640 -0.000 0.000 0.242 223 D C 1.312 177.648 176.300 0.059 0.000 1.129 223 D CA 0.841 54.897 54.000 0.093 0.000 0.885 223 D CB 1.230 42.076 40.800 0.078 0.000 1.198 223 D HN 0.306 nan 8.370 nan 0.000 0.437 224 A N 3.182 126.009 122.820 0.012 0.000 2.076 224 A HA -0.194 4.126 4.320 -0.000 0.000 0.220 224 A C 1.252 178.662 177.584 -0.290 0.000 1.160 224 A CA 1.437 53.383 52.037 -0.152 0.000 0.653 224 A CB -0.606 18.240 19.000 -0.257 0.000 0.801 224 A HN 0.795 nan 8.150 nan 0.000 0.455 225 H N -0.483 118.642 119.070 0.093 0.000 2.505 225 H HA 0.176 4.732 4.556 -0.000 0.000 0.289 225 H C 0.668 176.098 175.328 0.169 0.000 1.052 225 H CA -0.148 55.984 56.048 0.140 0.000 1.156 225 H CB 0.030 29.906 29.762 0.190 0.000 1.507 225 H HN 0.619 nan 8.280 nan 0.000 0.548 226 R N 1.553 122.139 120.500 0.143 0.000 2.756 226 R HA 0.002 4.342 4.340 -0.000 0.000 0.264 226 R C -0.388 176.005 176.300 0.155 0.000 1.026 226 R CA 0.580 56.737 56.100 0.096 0.000 1.121 226 R CB 0.401 30.722 30.300 0.034 0.000 0.999 226 R HN 0.255 nan 8.270 nan 0.000 0.449 227 D N 0.148 120.649 120.400 0.167 0.000 2.914 227 D HA 0.223 4.863 4.640 -0.000 0.000 0.349 227 D C -0.028 176.347 176.300 0.126 0.000 1.540 227 D CA 0.099 54.199 54.000 0.166 0.000 0.778 227 D CB 0.312 41.248 40.800 0.227 0.000 1.213 227 D HN 0.925 nan 8.370 nan 0.000 0.451 228 G N 0.380 109.251 108.800 0.118 0.000 2.392 228 G HA2 0.229 4.189 3.960 -0.000 0.000 0.677 228 G HA3 0.229 4.189 3.960 -0.000 0.000 0.677 228 G C -0.624 174.365 174.900 0.148 0.000 1.334 228 G CA -0.661 44.512 45.100 0.122 0.000 0.961 228 G HN 0.341 nan 8.290 nan 0.000 0.616 229 F N -0.720 119.277 119.950 0.078 0.000 2.380 229 F HA 0.847 5.374 4.527 -0.000 0.000 0.319 229 F C 0.205 176.039 175.800 0.058 0.000 1.113 229 F CA -1.464 56.565 58.000 0.048 0.000 1.056 229 F CB 1.336 40.376 39.000 0.066 0.000 1.289 229 F HN 0.414 nan 8.300 nan 0.000 0.515 230 V N 3.585 123.701 119.914 0.336 0.000 2.370 230 V HA 0.281 4.401 4.120 -0.000 0.000 0.283 230 V C 0.111 176.421 176.094 0.360 0.000 1.023 230 V CA -0.840 61.581 62.300 0.201 0.000 0.857 230 V CB 1.225 33.141 31.823 0.155 0.000 0.985 230 V HN 0.822 nan 8.190 nan 0.000 0.443 231 I N 4.683 125.399 120.570 0.243 0.000 2.696 231 I HA 0.548 4.718 4.170 -0.000 0.000 0.284 231 I C 0.495 176.738 176.117 0.210 0.000 1.129 231 I CA 0.567 62.033 61.300 0.277 0.000 1.410 231 I CB 0.950 39.053 38.000 0.171 0.000 1.399 231 I HN 0.800 nan 8.210 nan 0.000 0.579 232 A N 4.531 127.414 122.820 0.105 0.000 2.564 232 A HA 0.927 5.247 4.320 -0.000 0.000 0.288 232 A C -0.608 176.946 177.584 -0.050 0.000 1.164 232 A CA -0.048 51.997 52.037 0.013 0.000 0.712 232 A CB 1.298 20.312 19.000 0.024 0.000 1.303 232 A HN 0.847 nan 8.150 nan 0.000 0.418 233 G N -2.171 106.559 108.800 -0.117 0.000 2.921 233 G HA2 0.927 4.887 3.960 -0.000 0.000 0.291 233 G HA3 0.927 4.887 3.960 -0.000 0.000 0.291 233 G C 0.018 174.800 174.900 -0.197 0.000 1.370 233 G CA -0.117 44.931 45.100 -0.086 0.000 0.847 233 G HN 2.454 nan 8.290 nan 0.000 0.532 234 G N -2.300 106.369 108.800 -0.217 0.000 2.298 234 G HA2 0.594 4.554 3.960 -0.000 0.000 0.309 234 G HA3 0.594 4.554 3.960 -0.000 0.000 0.309 234 G C -0.149 174.735 174.900 -0.027 0.000 1.279 234 G CA 0.279 45.077 45.100 -0.503 0.000 1.042 234 G HN 2.153 nan 8.290 nan 0.000 0.480 235 G N -1.846 106.933 108.800 -0.036 0.000 2.682 235 G HA2 1.031 4.991 3.960 -0.000 0.000 0.290 235 G HA3 1.031 4.991 3.960 -0.000 0.000 0.290 235 G C -0.305 174.587 174.900 -0.012 0.000 1.425 235 G CA 0.466 45.600 45.100 0.056 0.000 0.807 235 G HN 2.186 nan 8.290 nan 0.000 0.482 236 G N -1.358 107.431 108.800 -0.018 0.000 2.703 236 G HA2 0.673 4.633 3.960 -0.000 0.000 0.294 236 G HA3 0.673 4.633 3.960 -0.000 0.000 0.294 236 G C -1.706 173.159 174.900 -0.059 0.000 1.451 236 G CA -0.577 44.485 45.100 -0.063 0.000 0.869 236 G HN 0.938 nan 8.290 nan 0.000 0.516 237 M N 0.951 120.505 119.600 -0.076 0.000 2.413 237 M HA 0.679 5.159 4.480 -0.000 0.000 0.287 237 M C -1.108 175.145 176.300 -0.078 0.000 1.186 237 M CA -0.729 54.530 55.300 -0.069 0.000 0.927 237 M CB 2.302 34.854 32.600 -0.080 0.000 1.715 237 M HN 1.288 nan 8.290 nan 0.000 0.478 238 V N 1.586 121.455 119.914 -0.074 0.000 2.962 238 V HA 0.898 5.018 4.120 -0.000 0.000 0.313 238 V C -1.355 174.677 176.094 -0.103 0.000 1.099 238 V CA -0.893 61.350 62.300 -0.095 0.000 0.971 238 V CB 1.948 33.693 31.823 -0.129 0.000 1.028 238 V HN 0.616 nan 8.190 nan 0.000 0.430 239 V N 3.850 123.692 119.914 -0.120 0.000 2.334 239 V HA 0.357 4.477 4.120 -0.000 0.000 0.267 239 V C 0.161 176.123 176.094 -0.221 0.000 1.040 239 V CA -0.319 61.828 62.300 -0.255 0.000 0.866 239 V CB 1.057 32.756 31.823 -0.206 0.000 1.019 239 V HN 0.735 nan 8.190 nan 0.000 0.468 240 V N 5.266 125.018 119.914 -0.269 0.000 2.406 240 V HA 0.442 4.562 4.120 -0.000 0.000 0.272 240 V C 0.097 176.058 176.094 -0.221 0.000 1.043 240 V CA -0.271 61.911 62.300 -0.198 0.000 0.915 240 V CB 1.321 33.036 31.823 -0.180 0.000 0.988 240 V HN 0.960 nan 8.190 nan 0.000 0.466 241 E N 2.951 123.059 120.200 -0.152 0.000 2.293 241 E HA 0.333 4.683 4.350 -0.000 0.000 0.270 241 E C -0.745 175.806 176.600 -0.081 0.000 0.879 241 E CA -0.737 55.578 56.400 -0.141 0.000 0.756 241 E CB 1.752 31.395 29.700 -0.094 0.000 1.208 241 E HN 0.682 nan 8.360 nan 0.000 0.428 242 E N 3.962 124.114 120.200 -0.079 0.000 2.384 242 E HA -0.031 4.319 4.350 -0.000 0.000 0.266 242 E C 0.796 177.410 176.600 0.023 0.000 1.012 242 E CA -0.093 56.291 56.400 -0.027 0.000 0.901 242 E CB 1.120 30.805 29.700 -0.025 0.000 0.967 242 E HN 0.653 nan 8.360 nan 0.000 0.435 243 L N 5.809 127.038 121.223 0.011 0.000 1.978 243 L HA -0.258 4.082 4.340 -0.000 0.000 0.218 243 L C 1.898 178.783 176.870 0.025 0.000 1.075 243 L CA 2.036 56.882 54.840 0.011 0.000 0.767 243 L CB -0.459 41.600 42.059 -0.000 0.000 0.890 243 L HN 0.559 nan 8.230 nan 0.000 0.434 244 E N -0.893 119.325 120.200 0.030 0.000 2.085 244 E HA -0.288 4.062 4.350 -0.000 0.000 0.194 244 E C 2.248 178.868 176.600 0.034 0.000 0.994 244 E CA 1.554 57.968 56.400 0.024 0.000 0.801 244 E CB -0.816 28.899 29.700 0.024 0.000 0.743 244 E HN 0.695 nan 8.360 nan 0.000 0.453 245 H N 0.526 119.583 119.070 -0.022 0.000 2.352 245 H HA -0.067 4.489 4.556 -0.000 0.000 0.299 245 H C 1.835 177.149 175.328 -0.023 0.000 1.097 245 H CA 1.828 57.864 56.048 -0.021 0.000 1.311 245 H CB 0.147 29.894 29.762 -0.026 0.000 1.377 245 H HN 0.135 nan 8.280 nan 0.000 0.504 246 A N 1.098 123.986 122.820 0.114 0.000 1.873 246 A HA -0.075 4.245 4.320 -0.000 0.000 0.215 246 A C 2.929 180.504 177.584 -0.016 0.000 1.186 246 A CA 1.157 53.227 52.037 0.054 0.000 0.616 246 A CB -0.812 18.207 19.000 0.033 0.000 0.823 246 A HN 0.392 nan 8.150 nan 0.000 0.442 247 L N -0.661 120.549 121.223 -0.023 0.000 1.994 247 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 247 L C 3.049 179.888 176.870 -0.051 0.000 1.071 247 L CA 1.191 56.009 54.840 -0.035 0.000 0.745 247 L CB -0.656 41.386 42.059 -0.029 0.000 0.892 247 L HN 0.412 nan 8.230 nan 0.000 0.431 248 A N -0.262 122.516 122.820 -0.070 0.000 2.139 248 A HA -0.240 4.080 4.320 -0.000 0.000 0.221 248 A C 2.381 179.899 177.584 -0.110 0.000 1.159 248 A CA 1.734 53.716 52.037 -0.091 0.000 0.662 248 A CB -0.624 18.308 19.000 -0.113 0.000 0.796 248 A HN 0.416 nan 8.150 nan 0.000 0.463 249 R N -1.291 119.136 120.500 -0.121 0.000 2.312 249 R HA 0.240 4.580 4.340 -0.000 0.000 0.205 249 R C 1.127 177.399 176.300 -0.045 0.000 0.904 249 R CA 0.821 56.861 56.100 -0.101 0.000 1.052 249 R CB -0.142 30.082 30.300 -0.127 0.000 1.014 249 R HN 0.660 nan 8.270 nan 0.000 0.503 250 G N 0.507 109.285 108.800 -0.038 0.000 2.176 250 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.252 250 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.252 250 G C 0.092 174.988 174.900 -0.006 0.000 1.024 250 G CA 0.298 45.386 45.100 -0.021 0.000 0.755 250 G HN 0.568 nan 8.290 nan 0.000 0.507 251 A N -0.519 122.298 122.820 -0.005 0.000 2.366 251 A HA 0.611 4.931 4.320 -0.000 0.000 0.249 251 A C 0.341 177.930 177.584 0.008 0.000 1.084 251 A CA 0.378 52.425 52.037 0.017 0.000 0.794 251 A CB 0.314 19.330 19.000 0.026 0.000 1.034 251 A HN 1.341 nan 8.150 nan 0.000 0.491 252 H N 0.461 119.483 119.070 -0.081 0.000 2.620 252 H HA 0.538 5.094 4.556 -0.000 0.000 0.313 252 H C -0.718 174.508 175.328 -0.171 0.000 1.075 252 H CA -0.190 55.765 56.048 -0.156 0.000 1.397 252 H CB 0.244 29.870 29.762 -0.226 0.000 1.446 252 H HN 0.427 nan 8.280 nan 0.000 0.493 253 I N 6.941 127.123 120.570 -0.646 0.000 2.355 253 I HA 0.030 4.200 4.170 -0.000 0.000 0.288 253 I C -0.063 175.718 176.117 -0.559 0.000 0.999 253 I CA -0.501 60.555 61.300 -0.407 0.000 1.163 253 I CB 1.074 38.942 38.000 -0.220 0.000 1.316 253 I HN 0.779 nan 8.210 nan 0.000 0.454 254 Y N 5.052 125.205 120.300 -0.246 0.000 2.206 254 Y HA 0.240 4.790 4.550 -0.000 0.000 0.292 254 Y C 1.236 177.069 175.900 -0.111 0.000 1.123 254 Y CA 0.899 58.916 58.100 -0.138 0.000 1.142 254 Y CB 0.204 38.656 38.460 -0.015 0.000 1.006 254 Y HN 0.670 nan 8.280 nan 0.000 0.518 255 A N -0.774 122.094 122.820 0.081 0.000 2.567 255 A HA 0.384 4.704 4.320 -0.000 0.000 0.291 255 A C -1.497 176.092 177.584 0.008 0.000 1.048 255 A CA -0.852 51.201 52.037 0.027 0.000 0.661 255 A CB 0.654 19.680 19.000 0.043 0.000 1.288 255 A HN 0.065 nan 8.150 nan 0.000 0.424 256 E N 0.480 120.679 120.200 -0.001 0.000 2.231 256 E HA 0.592 4.942 4.350 -0.000 0.000 0.277 256 E C -1.118 175.484 176.600 0.002 0.000 0.999 256 E CA -0.590 55.807 56.400 -0.005 0.000 0.827 256 E CB 0.838 30.535 29.700 -0.005 0.000 1.101 256 E HN 0.474 nan 8.360 nan 0.000 0.393 257 I N 5.644 126.212 120.570 -0.003 0.000 2.308 257 I HA 0.014 4.184 4.170 -0.000 0.000 0.293 257 I C 1.090 177.221 176.117 0.024 0.000 1.078 257 I CA -0.249 61.054 61.300 0.005 0.000 1.292 257 I CB 0.891 38.881 38.000 -0.016 0.000 1.423 257 I HN 0.487 nan 8.210 nan 0.000 0.493 258 V N 2.727 122.661 119.914 0.034 0.000 3.649 258 V HA 0.490 4.610 4.120 -0.000 0.000 0.275 258 V C 0.728 176.861 176.094 0.065 0.000 1.281 258 V CA 0.209 62.534 62.300 0.041 0.000 1.143 258 V CB -0.352 31.488 31.823 0.029 0.000 0.892 258 V HN 0.715 nan 8.190 nan 0.000 0.441 259 G N -0.491 108.361 108.800 0.088 0.000 2.759 259 G HA2 0.525 4.485 3.960 -0.000 0.000 0.297 259 G HA3 0.525 4.485 3.960 -0.000 0.000 0.297 259 G C -2.303 172.711 174.900 0.190 0.000 1.434 259 G CA -0.547 44.626 45.100 0.121 0.000 0.980 259 G HN 0.328 nan 8.290 nan 0.000 0.531 260 Y N 1.421 121.744 120.300 0.038 0.000 2.332 260 Y HA 0.683 5.233 4.550 -0.000 0.000 0.325 260 Y C -0.082 175.847 175.900 0.049 0.000 1.054 260 Y CA -1.230 56.892 58.100 0.037 0.000 1.119 260 Y CB 1.641 40.123 38.460 0.037 0.000 1.168 260 Y HN 0.836 nan 8.280 nan 0.000 0.439 261 G N 3.004 111.726 108.800 -0.130 0.000 2.400 261 G HA2 0.740 4.700 3.960 -0.000 0.000 0.333 261 G HA3 0.740 4.700 3.960 -0.000 0.000 0.333 261 G C -1.592 173.092 174.900 -0.361 0.000 1.143 261 G CA -0.601 44.350 45.100 -0.247 0.000 0.914 261 G HN 1.147 nan 8.290 nan 0.000 0.480 262 A N 1.306 123.932 122.820 -0.324 0.000 2.476 262 A HA 0.823 5.143 4.320 -0.000 0.000 0.280 262 A C -0.004 177.557 177.584 -0.038 0.000 1.081 262 A CA -0.061 51.921 52.037 -0.091 0.000 0.753 262 A CB 1.179 20.102 19.000 -0.129 0.000 1.248 262 A HN 1.522 nan 8.150 nan 0.000 0.424 263 T N -1.390 113.181 114.554 0.029 0.000 2.716 263 T HA 0.866 5.215 4.350 -0.000 0.000 0.286 263 T C -0.243 174.461 174.700 0.006 0.000 1.052 263 T CA -0.401 61.689 62.100 -0.016 0.000 1.024 263 T CB 1.717 70.552 68.868 -0.055 0.000 1.349 263 T HN 1.451 nan 8.240 nan 0.000 0.525 264 S N -1.001 114.683 115.700 -0.026 0.000 2.536 264 S HA 0.455 4.925 4.470 -0.000 0.000 0.287 264 S C -0.166 174.406 174.600 -0.047 0.000 1.101 264 S CA -0.609 57.579 58.200 -0.020 0.000 0.950 264 S CB 1.613 64.804 63.200 -0.016 0.000 1.056 264 S HN 0.685 nan 8.310 nan 0.000 0.481 265 D N 2.837 123.207 120.400 -0.050 0.000 2.123 265 D HA 0.136 4.776 4.640 -0.000 0.000 0.200 265 D C 1.513 177.787 176.300 -0.043 0.000 0.976 265 D CA 1.593 55.554 54.000 -0.064 0.000 0.831 265 D CB -0.568 40.191 40.800 -0.069 0.000 0.974 265 D HN 1.087 nan 8.370 nan 0.000 0.469 266 G N 0.006 108.790 108.800 -0.025 0.000 2.273 266 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.280 266 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.280 266 G C 0.701 175.591 174.900 -0.016 0.000 1.047 266 G CA 0.983 46.072 45.100 -0.018 0.000 0.869 266 G HN 0.629 nan 8.290 nan 0.000 0.502 267 A N -1.194 121.617 122.820 -0.014 0.000 1.808 267 A HA 0.614 4.934 4.320 -0.000 0.000 0.190 267 A C 0.239 177.824 177.584 0.001 0.000 1.822 267 A CA 1.123 53.153 52.037 -0.012 0.000 1.090 267 A CB 0.670 19.656 19.000 -0.024 0.000 1.004 267 A HN 0.357 nan 8.150 nan 0.000 0.602 268 D N -0.826 119.576 120.400 0.003 0.000 2.646 268 D HA 0.503 5.143 4.640 -0.000 0.000 0.245 268 D C 0.787 177.112 176.300 0.041 0.000 1.099 268 D CA -0.595 53.417 54.000 0.021 0.000 0.849 268 D CB 1.360 42.171 40.800 0.018 0.000 1.448 268 D HN -0.008 nan 8.370 nan 0.000 0.489 269 M N 1.202 120.841 119.600 0.065 0.000 2.149 269 M HA -0.090 4.390 4.480 -0.000 0.000 0.261 269 M C 1.649 178.046 176.300 0.163 0.000 1.064 269 M CA 1.540 56.903 55.300 0.105 0.000 1.102 269 M CB -0.458 32.205 32.600 0.105 0.000 1.369 269 M HN 0.513 nan 8.290 nan 0.000 0.408 270 V N -3.754 116.250 119.914 0.149 0.000 3.151 270 V HA 0.459 4.579 4.120 -0.000 0.000 0.241 270 V C 1.070 177.183 176.094 0.032 0.000 1.173 270 V CA 0.114 62.533 62.300 0.198 0.000 1.154 270 V CB -0.992 31.003 31.823 0.286 0.000 0.898 270 V HN 0.175 nan 8.190 nan 0.000 0.473 271 A N 3.812 126.653 122.820 0.035 0.000 2.328 271 A HA 0.713 5.033 4.320 -0.000 0.000 0.284 271 A C -2.248 175.316 177.584 -0.034 0.000 1.160 271 A CA -1.448 50.589 52.037 0.001 0.000 0.818 271 A CB -0.239 18.775 19.000 0.024 0.000 1.087 271 A HN 0.454 nan 8.150 nan 0.000 0.504 272 P HA 0.111 nan 4.420 nan 0.000 0.275 272 P C 0.665 177.918 177.300 -0.078 0.000 1.227 272 P CA -0.081 62.964 63.100 -0.093 0.000 0.781 272 P CB 1.459 33.095 31.700 -0.107 0.000 0.906 273 S N 1.856 117.498 115.700 -0.097 0.000 2.436 273 S HA 0.097 4.567 4.470 -0.000 0.000 0.228 273 S C 1.613 176.160 174.600 -0.089 0.000 1.014 273 S CA 1.007 59.160 58.200 -0.079 0.000 0.950 273 S CB -1.027 62.126 63.200 -0.079 0.000 0.784 273 S HN 0.739 nan 8.310 nan 0.000 0.504 274 G N 1.660 110.378 108.800 -0.136 0.000 2.659 274 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.212 274 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.212 274 G C 0.869 175.670 174.900 -0.165 0.000 1.226 274 G CA 0.476 45.494 45.100 -0.135 0.000 0.739 274 G HN 0.496 nan 8.290 nan 0.000 0.528 275 E N 1.341 121.463 120.200 -0.130 0.000 2.077 275 E HA -0.031 4.319 4.350 -0.000 0.000 0.193 275 E C 2.600 179.104 176.600 -0.160 0.000 0.989 275 E CA 1.832 58.158 56.400 -0.123 0.000 0.800 275 E CB -0.749 28.897 29.700 -0.089 0.000 0.746 275 E HN 0.614 nan 8.360 nan 0.000 0.452 276 G N 0.773 109.462 108.800 -0.186 0.000 2.442 276 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.219 276 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.219 276 G C 1.655 176.366 174.900 -0.314 0.000 1.141 276 G CA 1.019 45.994 45.100 -0.208 0.000 0.763 276 G HN 0.417 nan 8.290 nan 0.000 0.554 277 A N 0.032 122.547 122.820 -0.508 0.000 1.933 277 A HA 0.105 4.425 4.320 -0.000 0.000 0.218 277 A C 2.603 179.998 177.584 -0.316 0.000 1.175 277 A CA 1.732 53.293 52.037 -0.794 0.000 0.628 277 A CB -0.554 17.769 19.000 -1.129 0.000 0.814 277 A HN 0.249 nan 8.150 nan 0.000 0.444 278 V N -0.023 119.760 119.914 -0.218 0.000 2.295 278 V HA -0.270 3.850 4.120 -0.000 0.000 0.246 278 V C 2.660 178.685 176.094 -0.115 0.000 1.049 278 V CA 2.295 64.516 62.300 -0.132 0.000 1.024 278 V CB -0.763 30.992 31.823 -0.114 0.000 0.648 278 V HN 0.534 nan 8.190 nan 0.000 0.447 279 R N -1.102 119.326 120.500 -0.120 0.000 2.096 279 R HA -0.186 4.154 4.340 -0.000 0.000 0.235 279 R C 2.405 178.656 176.300 -0.082 0.000 1.127 279 R CA 1.691 57.733 56.100 -0.098 0.000 0.968 279 R CB -0.873 29.369 30.300 -0.096 0.000 0.861 279 R HN 0.570 nan 8.270 nan 0.000 0.440 280 C N 0.712 119.963 119.300 -0.080 0.000 2.432 280 C HA -0.058 4.402 4.460 -0.000 0.000 0.277 280 C C 2.609 177.610 174.990 0.018 0.000 1.249 280 C CA 0.814 59.818 59.018 -0.023 0.000 1.725 280 C CB -0.676 27.086 27.740 0.036 0.000 2.028 280 C HN 0.466 nan 8.230 nan 0.000 0.477 281 M N 0.155 119.776 119.600 0.034 0.000 2.117 281 M HA -0.152 4.328 4.480 -0.000 0.000 0.262 281 M C 2.283 178.567 176.300 -0.027 0.000 1.065 281 M CA 1.836 57.161 55.300 0.042 0.000 1.114 281 M CB -0.414 32.216 32.600 0.049 0.000 1.361 281 M HN 0.396 nan 8.290 nan 0.000 0.408 282 K N -0.148 120.211 120.400 -0.067 0.000 2.148 282 K HA -0.134 4.186 4.320 -0.000 0.000 0.204 282 K C 1.954 178.546 176.600 -0.012 0.000 1.050 282 K CA 1.246 57.493 56.287 -0.065 0.000 0.942 282 K CB -0.222 32.232 32.500 -0.078 0.000 0.724 282 K HN 0.386 nan 8.250 nan 0.000 0.446 283 M N 0.699 120.282 119.600 -0.028 0.000 2.117 283 M HA -0.141 4.339 4.480 -0.000 0.000 0.262 283 M C 2.139 178.451 176.300 0.020 0.000 1.065 283 M CA 1.690 56.971 55.300 -0.031 0.000 1.114 283 M CB -0.087 32.464 32.600 -0.081 0.000 1.361 283 M HN 0.149 nan 8.290 nan 0.000 0.408 284 A N 0.227 123.061 122.820 0.023 0.000 1.969 284 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 284 A C 1.944 179.574 177.584 0.076 0.000 1.169 284 A CA 1.587 53.660 52.037 0.060 0.000 0.635 284 A CB -0.621 18.424 19.000 0.075 0.000 0.810 284 A HN 0.653 nan 8.150 nan 0.000 0.445 285 M N -1.298 118.338 119.600 0.060 0.000 2.558 285 M HA 0.041 4.521 4.480 -0.000 0.000 0.255 285 M C 0.641 176.972 176.300 0.052 0.000 1.113 285 M CA 0.012 55.342 55.300 0.049 0.000 1.097 285 M CB -0.130 32.475 32.600 0.008 0.000 1.426 285 M HN 0.524 nan 8.290 nan 0.000 0.488 286 H N 0.591 119.653 119.070 -0.013 0.000 3.157 286 H HA 0.142 4.698 4.556 -0.000 0.000 0.299 286 H C 1.164 176.491 175.328 -0.002 0.000 0.961 286 H CA 1.467 57.507 56.048 -0.014 0.000 1.428 286 H CB 0.083 29.834 29.762 -0.019 0.000 1.459 286 H HN 0.475 nan 8.280 nan 0.000 0.566 287 G N 3.343 111.820 108.800 -0.537 0.000 2.162 287 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.260 287 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.260 287 G C 0.014 174.828 174.900 -0.143 0.000 0.976 287 G CA 0.303 45.180 45.100 -0.371 0.000 0.655 287 G HN 0.668 nan 8.290 nan 0.000 0.533 288 V N 2.578 122.441 119.914 -0.085 0.000 2.356 288 V HA 0.292 4.412 4.120 -0.000 0.000 0.258 288 V C 1.230 177.308 176.094 -0.027 0.000 1.065 288 V CA 0.265 62.548 62.300 -0.029 0.000 0.935 288 V CB 1.164 32.992 31.823 0.008 0.000 1.061 288 V HN 0.492 nan 8.190 nan 0.000 0.484 289 D N 2.749 123.133 120.400 -0.026 0.000 2.358 289 D HA -0.041 4.599 4.640 -0.000 0.000 0.241 289 D C 0.706 177.005 176.300 -0.002 0.000 1.094 289 D CA 0.208 54.197 54.000 -0.019 0.000 0.907 289 D CB -0.152 40.635 40.800 -0.021 0.000 0.893 289 D HN 0.589 nan 8.370 nan 0.000 0.528 290 T N -3.017 111.542 114.554 0.009 0.000 2.907 290 T HA 0.581 4.931 4.350 -0.000 0.000 0.292 290 T C -2.829 171.895 174.700 0.039 0.000 1.043 290 T CA -1.811 60.301 62.100 0.020 0.000 1.003 290 T CB 2.351 71.230 68.868 0.019 0.000 1.084 290 T HN -0.169 nan 8.240 nan 0.000 0.483 291 P HA 0.313 nan 4.420 nan 0.000 0.274 291 P C -0.497 176.845 177.300 0.069 0.000 1.231 291 P CA -0.650 62.492 63.100 0.069 0.000 0.790 291 P CB 0.527 32.259 31.700 0.052 0.000 0.951 292 I N 3.098 123.729 120.570 0.102 0.000 2.363 292 I HA 0.019 4.189 4.170 -0.000 0.000 0.292 292 I C 1.302 177.404 176.117 -0.025 0.000 1.075 292 I CA 0.251 61.584 61.300 0.055 0.000 1.333 292 I CB -0.160 37.895 38.000 0.092 0.000 1.415 292 I HN 0.305 nan 8.210 nan 0.000 0.502 293 D N 5.025 125.429 120.400 0.006 0.000 2.194 293 D HA -0.119 4.521 4.640 -0.000 0.000 0.204 293 D C 0.160 176.487 176.300 0.044 0.000 0.964 293 D CA 1.500 55.508 54.000 0.014 0.000 0.846 293 D CB 0.281 41.104 40.800 0.038 0.000 0.962 293 D HN 0.522 nan 8.370 nan 0.000 0.490 294 Y N 0.189 120.434 120.300 -0.091 0.000 2.470 294 Y HA 0.469 5.019 4.550 -0.000 0.000 0.341 294 Y C -1.934 173.910 175.900 -0.094 0.000 1.021 294 Y CA -1.180 56.859 58.100 -0.102 0.000 1.025 294 Y CB 1.442 39.846 38.460 -0.093 0.000 1.266 294 Y HN -0.222 nan 8.280 nan 0.000 0.448 295 L N 7.261 127.794 121.223 -1.151 0.000 2.372 295 L HA 0.495 4.835 4.340 -0.000 0.000 0.274 295 L C -1.257 174.979 176.870 -1.058 0.000 0.988 295 L CA -0.560 53.772 54.840 -0.847 0.000 0.833 295 L CB 1.030 42.822 42.059 -0.445 0.000 1.236 295 L HN 0.802 nan 8.230 nan 0.000 0.410 296 N N 3.605 121.878 118.700 -0.712 0.000 2.415 296 N HA 0.135 4.875 4.740 -0.000 0.000 0.246 296 N C -0.446 174.967 175.510 -0.162 0.000 1.078 296 N CA -0.205 52.683 53.050 -0.270 0.000 0.942 296 N CB 1.054 39.566 38.487 0.040 0.000 1.140 296 N HN 0.723 nan 8.380 nan 0.000 0.501 297 S N 2.640 118.283 115.700 -0.095 0.000 2.603 297 S HA 0.020 4.490 4.470 -0.000 0.000 0.268 297 S C 1.269 175.813 174.600 -0.093 0.000 1.317 297 S CA -0.348 57.827 58.200 -0.042 0.000 1.012 297 S CB 1.243 64.522 63.200 0.133 0.000 0.926 297 S HN 0.763 nan 8.310 nan 0.000 0.539 298 H N 2.085 121.007 119.070 -0.246 0.000 2.357 298 H HA 0.146 4.702 4.556 -0.000 0.000 0.301 298 H C 1.472 176.647 175.328 -0.255 0.000 1.082 298 H CA 1.090 56.941 56.048 -0.328 0.000 1.342 298 H CB -1.058 28.426 29.762 -0.464 0.000 1.389 298 H HN 0.978 nan 8.280 nan 0.000 0.511 299 G N 0.897 109.553 108.800 -0.241 0.000 2.816 299 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.341 299 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.341 299 G C 1.016 175.601 174.900 -0.525 0.000 0.171 299 G CA 0.971 45.834 45.100 -0.395 0.000 1.218 299 G HN 0.754 nan 8.290 nan 0.000 0.433 300 T N -0.907 113.333 114.554 -0.524 0.000 3.100 300 T HA 0.341 4.691 4.350 -0.000 0.000 0.253 300 T C 1.323 175.927 174.700 -0.161 0.000 1.118 300 T CA 0.929 62.761 62.100 -0.448 0.000 1.058 300 T CB 0.287 68.850 68.868 -0.509 0.000 0.953 300 T HN 1.746 nan 8.240 nan 0.000 0.515 301 S N 0.014 115.614 115.700 -0.167 0.000 3.777 301 S HA -0.118 4.352 4.470 -0.000 0.000 0.296 301 S C -0.011 174.602 174.600 0.023 0.000 1.173 301 S CA 0.457 58.606 58.200 -0.084 0.000 0.824 301 S CB -2.002 61.169 63.200 -0.048 0.000 0.932 301 S HN 0.773 nan 8.310 nan 0.000 0.571 302 T N 2.085 116.657 114.554 0.030 0.000 2.867 302 T HA 0.458 4.808 4.350 -0.000 0.000 0.282 302 T C -1.572 173.170 174.700 0.071 0.000 1.000 302 T CA -1.295 60.861 62.100 0.094 0.000 1.042 302 T CB 1.668 70.613 68.868 0.128 0.000 0.973 302 T HN -0.006 nan 8.240 nan 0.000 0.465 303 P HA -0.116 nan 4.420 nan 0.000 0.214 303 P C 1.481 178.822 177.300 0.067 0.000 1.163 303 P CA 0.759 63.900 63.100 0.069 0.000 0.889 303 P CB 0.132 31.874 31.700 0.070 0.000 0.790 304 V N -0.490 119.467 119.914 0.072 0.000 2.331 304 V HA -0.054 4.066 4.120 -0.000 0.000 0.242 304 V C 2.615 178.749 176.094 0.067 0.000 1.034 304 V CA 2.275 64.613 62.300 0.064 0.000 1.027 304 V CB -1.967 29.892 31.823 0.059 0.000 0.667 304 V HN 0.145 nan 8.190 nan 0.000 0.457 305 G N 0.279 109.121 108.800 0.071 0.000 2.574 305 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.220 305 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.220 305 G C 1.162 176.130 174.900 0.113 0.000 1.173 305 G CA 1.597 46.747 45.100 0.083 0.000 0.772 305 G HN 0.513 nan 8.290 nan 0.000 0.585 306 D N -0.051 120.404 120.400 0.092 0.000 2.092 306 D HA -0.140 4.500 4.640 -0.000 0.000 0.193 306 D C 2.908 179.331 176.300 0.205 0.000 0.994 306 D CA 1.895 55.979 54.000 0.139 0.000 0.828 306 D CB -0.724 40.127 40.800 0.085 0.000 0.963 306 D HN 0.361 nan 8.370 nan 0.000 0.450 307 V N -0.927 119.071 119.914 0.140 0.000 2.490 307 V HA -0.161 3.959 4.120 -0.000 0.000 0.250 307 V C 1.997 178.145 176.094 0.090 0.000 1.061 307 V CA 1.254 63.620 62.300 0.109 0.000 1.064 307 V CB -0.411 31.454 31.823 0.071 0.000 0.670 307 V HN -0.048 nan 8.190 nan 0.000 0.461 308 K N 0.712 121.160 120.400 0.081 0.000 2.032 308 K HA -0.195 4.125 4.320 -0.000 0.000 0.209 308 K C 2.251 178.895 176.600 0.074 0.000 1.048 308 K CA 2.216 58.533 56.287 0.052 0.000 0.927 308 K CB -0.494 32.022 32.500 0.027 0.000 0.712 308 K HN 0.805 nan 8.250 nan 0.000 0.441 309 E N 0.714 121.005 120.200 0.151 0.000 2.077 309 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 309 E C 2.168 178.876 176.600 0.180 0.000 0.989 309 E CA 0.751 57.285 56.400 0.223 0.000 0.800 309 E CB -0.020 29.895 29.700 0.359 0.000 0.746 309 E HN 0.157 nan 8.360 nan 0.000 0.452 310 L N 0.543 121.860 121.223 0.158 0.000 2.042 310 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 310 L C 2.707 179.609 176.870 0.053 0.000 1.076 310 L CA 1.195 56.076 54.840 0.068 0.000 0.749 310 L CB -0.517 41.552 42.059 0.018 0.000 0.893 310 L HN 0.228 nan 8.230 nan 0.000 0.432 311 A N 0.021 122.871 122.820 0.051 0.000 1.877 311 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 311 A C 2.548 180.149 177.584 0.028 0.000 1.186 311 A CA 1.835 53.889 52.037 0.029 0.000 0.620 311 A CB -0.791 18.220 19.000 0.018 0.000 0.822 311 A HN 0.402 nan 8.150 nan 0.000 0.443 312 A N -0.153 122.686 122.820 0.031 0.000 1.902 312 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 312 A C 2.138 179.760 177.584 0.063 0.000 1.181 312 A CA 1.569 53.614 52.037 0.014 0.000 0.623 312 A CB -0.618 18.372 19.000 -0.017 0.000 0.818 312 A HN 0.504 nan 8.150 nan 0.000 0.443 313 I N -1.243 119.408 120.570 0.136 0.000 2.226 313 I HA -0.246 3.924 4.170 -0.000 0.000 0.245 313 I C 2.733 178.989 176.117 0.232 0.000 1.100 313 I CA 1.576 63.025 61.300 0.248 0.000 1.374 313 I CB -0.311 37.814 38.000 0.208 0.000 1.057 313 I HN 0.343 nan 8.210 nan 0.000 0.413 314 R N 0.764 121.336 120.500 0.119 0.000 2.091 314 R HA -0.260 4.080 4.340 -0.000 0.000 0.238 314 R C 2.252 178.587 176.300 0.058 0.000 1.136 314 R CA 1.989 58.140 56.100 0.085 0.000 0.959 314 R CB -0.106 30.217 30.300 0.039 0.000 0.856 314 R HN 0.241 nan 8.270 nan 0.000 0.437 315 E N -0.218 119.995 120.200 0.023 0.000 2.072 315 E HA -0.120 4.230 4.350 -0.000 0.000 0.191 315 E C 1.751 178.313 176.600 -0.063 0.000 0.985 315 E CA 1.441 57.830 56.400 -0.019 0.000 0.801 315 E CB -0.084 29.595 29.700 -0.034 0.000 0.750 315 E HN 0.155 nan 8.360 nan 0.000 0.452 316 V N -0.303 119.542 119.914 -0.114 0.000 2.379 316 V HA -0.140 3.980 4.120 -0.000 0.000 0.245 316 V C 1.712 177.550 176.094 -0.425 0.000 1.044 316 V CA 1.795 63.900 62.300 -0.325 0.000 1.036 316 V CB -0.443 31.057 31.823 -0.537 0.000 0.664 316 V HN 0.282 nan 8.190 nan 0.000 0.453 317 F N -0.447 119.498 119.950 -0.008 0.000 2.731 317 F HA 0.482 5.009 4.527 -0.000 0.000 0.298 317 F C 1.825 177.618 175.800 -0.011 0.000 1.106 317 F CA 0.607 58.601 58.000 -0.010 0.000 1.329 317 F CB -0.283 38.709 39.000 -0.014 0.000 1.100 317 F HN 0.264 nan 8.300 nan 0.000 0.592 318 G N 1.032 109.905 108.800 0.122 0.000 2.629 318 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.313 318 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.313 318 G C 0.633 175.579 174.900 0.078 0.000 1.217 318 G CA 0.739 45.882 45.100 0.072 0.000 0.994 318 G HN 0.268 nan 8.290 nan 0.000 0.549 319 D N 1.376 121.810 120.400 0.057 0.000 2.339 319 D HA 0.134 4.774 4.640 -0.000 0.000 0.217 319 D C 1.178 177.503 176.300 0.041 0.000 1.050 319 D CA 0.464 54.488 54.000 0.039 0.000 0.856 319 D CB 0.261 41.075 40.800 0.024 0.000 0.922 319 D HN 0.437 nan 8.370 nan 0.000 0.518 320 K N 1.039 121.483 120.400 0.075 0.000 3.147 320 K HA 0.129 4.449 4.320 -0.000 0.000 0.214 320 K C 0.176 176.804 176.600 0.047 0.000 1.221 320 K CA -0.212 56.113 56.287 0.064 0.000 1.117 320 K CB 0.972 33.523 32.500 0.085 0.000 1.278 320 K HN -0.135 nan 8.250 nan 0.000 0.479 321 S N 2.324 118.014 115.700 -0.016 0.000 2.563 321 S HA 0.142 4.612 4.470 -0.000 0.000 0.284 321 S C -1.771 172.655 174.600 -0.291 0.000 1.331 321 S CA -0.928 57.167 58.200 -0.176 0.000 1.047 321 S CB 0.348 63.476 63.200 -0.120 0.000 0.859 321 S HN 0.196 nan 8.310 nan 0.000 0.514 322 P HA 0.386 nan 4.420 nan 0.000 0.281 322 P C -0.952 176.205 177.300 -0.239 0.000 1.281 322 P CA -0.724 62.149 63.100 -0.378 0.000 0.811 322 P CB 0.547 31.919 31.700 -0.548 0.000 1.154 323 A N 0.856 123.612 122.820 -0.107 0.000 2.477 323 A HA 0.414 4.734 4.320 -0.000 0.000 0.246 323 A C 0.219 177.774 177.584 -0.048 0.000 1.078 323 A CA 0.038 52.067 52.037 -0.013 0.000 0.770 323 A CB -0.827 18.232 19.000 0.099 0.000 1.011 323 A HN 0.445 nan 8.150 nan 0.000 0.494 324 I N 1.830 122.374 120.570 -0.042 0.000 2.545 324 I HA 0.484 4.653 4.170 -0.000 0.000 0.292 324 I C -0.007 176.155 176.117 0.076 0.000 1.040 324 I CA -0.185 61.056 61.300 -0.097 0.000 1.068 324 I CB 2.482 40.393 38.000 -0.148 0.000 1.251 324 I HN 0.762 nan 8.210 nan 0.000 0.424 325 S N 3.873 119.663 115.700 0.151 0.000 2.536 325 S HA 0.827 5.297 4.470 -0.000 0.000 0.271 325 S C -0.865 173.848 174.600 0.188 0.000 1.134 325 S CA -0.853 57.482 58.200 0.225 0.000 0.897 325 S CB 2.001 65.353 63.200 0.253 0.000 1.094 325 S HN 0.735 nan 8.310 nan 0.000 0.473 326 A N 2.089 125.004 122.820 0.158 0.000 2.294 326 A HA 0.570 4.890 4.320 -0.000 0.000 0.316 326 A C 1.220 178.808 177.584 0.007 0.000 1.359 326 A CA -0.257 51.797 52.037 0.027 0.000 0.956 326 A CB -0.396 18.516 19.000 -0.147 0.000 1.155 326 A HN 1.235 nan 8.150 nan 0.000 0.544 327 T N 0.357 114.931 114.554 0.033 0.000 3.051 327 T HA -0.125 4.225 4.350 -0.000 0.000 0.269 327 T C 1.503 176.179 174.700 -0.041 0.000 1.127 327 T CA 0.981 63.073 62.100 -0.014 0.000 1.107 327 T CB -0.278 68.577 68.868 -0.022 0.000 0.898 327 T HN 0.670 nan 8.240 nan 0.000 0.517 328 R N 0.984 121.455 120.500 -0.047 0.000 2.241 328 R HA 0.158 4.498 4.340 -0.000 0.000 0.224 328 R C 2.733 179.000 176.300 -0.056 0.000 1.101 328 R CA 0.960 57.026 56.100 -0.057 0.000 0.995 328 R CB -0.487 29.728 30.300 -0.141 0.000 0.870 328 R HN 0.540 nan 8.270 nan 0.000 0.463 329 A N 0.509 123.285 122.820 -0.072 0.000 2.015 329 A HA -0.087 4.233 4.320 -0.000 0.000 0.219 329 A C 1.999 179.558 177.584 -0.042 0.000 1.163 329 A CA 1.028 53.027 52.037 -0.063 0.000 0.646 329 A CB -0.160 18.803 19.000 -0.062 0.000 0.806 329 A HN 0.181 nan 8.150 nan 0.000 0.448 330 M N -1.041 118.530 119.600 -0.048 0.000 2.429 330 M HA -0.042 4.438 4.480 -0.000 0.000 0.265 330 M C 2.219 178.496 176.300 -0.039 0.000 1.120 330 M CA 1.721 56.989 55.300 -0.052 0.000 1.173 330 M CB -0.100 32.444 32.600 -0.093 0.000 1.343 330 M HN 0.593 nan 8.290 nan 0.000 0.464 331 T N -2.605 111.928 114.554 -0.034 0.000 3.037 331 T HA 0.443 4.793 4.350 -0.000 0.000 0.251 331 T C 1.021 175.750 174.700 0.049 0.000 1.079 331 T CA 0.387 62.490 62.100 0.005 0.000 1.067 331 T CB 0.120 69.011 68.868 0.040 0.000 0.948 331 T HN 0.533 nan 8.240 nan 0.000 0.496 332 G N 1.187 110.022 108.800 0.060 0.000 2.760 332 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.246 332 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.246 332 G C -0.889 174.097 174.900 0.144 0.000 1.359 332 G CA -0.327 44.843 45.100 0.117 0.000 0.861 332 G HN 0.884 nan 8.290 nan 0.000 0.541 333 H N 0.268 119.358 119.070 0.033 0.000 2.638 333 H HA 0.631 5.187 4.556 -0.000 0.000 0.303 333 H C 1.461 176.750 175.328 -0.065 0.000 1.034 333 H CA 0.007 55.995 56.048 -0.100 0.000 1.225 333 H CB 0.844 30.388 29.762 -0.363 0.000 1.394 333 H HN 0.890 nan 8.280 nan 0.000 0.477 334 S N 4.802 120.480 115.700 -0.036 0.000 2.710 334 S HA 0.121 4.591 4.470 -0.000 0.000 0.224 334 S C 1.252 175.726 174.600 -0.212 0.000 0.948 334 S CA 0.102 58.236 58.200 -0.109 0.000 0.949 334 S CB -0.689 62.494 63.200 -0.028 0.000 0.778 334 S HN 0.742 nan 8.310 nan 0.000 0.498 335 L N -0.011 120.870 121.223 -0.569 0.000 4.782 335 L HA -0.359 3.981 4.340 -0.000 0.000 0.053 335 L C 2.294 179.117 176.870 -0.078 0.000 3.426 335 L CA 1.537 56.115 54.840 -0.437 0.000 1.357 335 L CB -2.049 39.844 42.059 -0.276 0.000 3.081 335 L HN 0.439 nan 8.230 nan 0.000 0.912 336 G N -1.154 107.637 108.800 -0.015 0.000 2.462 336 G HA2 0.027 3.987 3.960 -0.000 0.000 0.220 336 G HA3 0.027 3.987 3.960 -0.000 0.000 0.220 336 G C 1.229 176.148 174.900 0.031 0.000 1.121 336 G CA 1.283 46.408 45.100 0.042 0.000 0.758 336 G HN 0.848 nan 8.290 nan 0.000 0.559 337 A N 0.176 123.001 122.820 0.009 0.000 2.267 337 A HA 0.677 4.997 4.320 -0.000 0.000 0.213 337 A C 2.504 180.072 177.584 -0.026 0.000 1.192 337 A CA 1.222 53.257 52.037 -0.004 0.000 0.851 337 A CB -0.151 18.849 19.000 0.001 0.000 0.881 337 A HN 0.509 nan 8.150 nan 0.000 0.494 338 A N 0.174 122.996 122.820 0.003 0.000 1.902 338 A HA 0.095 4.415 4.320 -0.000 0.000 0.217 338 A C 2.321 179.885 177.584 -0.034 0.000 1.181 338 A CA 1.924 53.976 52.037 0.025 0.000 0.623 338 A CB -1.268 17.828 19.000 0.160 0.000 0.818 338 A HN 0.661 nan 8.150 nan 0.000 0.443 339 G N -0.801 107.983 108.800 -0.026 0.000 2.459 339 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.217 339 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.217 339 G C 1.666 176.497 174.900 -0.114 0.000 1.183 339 G CA 1.361 46.421 45.100 -0.066 0.000 0.776 339 G HN 0.587 nan 8.290 nan 0.000 0.552 340 V N 0.258 120.105 119.914 -0.112 0.000 2.358 340 V HA -0.158 3.962 4.120 -0.000 0.000 0.246 340 V C 2.783 178.730 176.094 -0.246 0.000 1.047 340 V CA 2.654 64.865 62.300 -0.149 0.000 1.035 340 V CB -0.325 31.432 31.823 -0.109 0.000 0.658 340 V HN 0.529 nan 8.190 nan 0.000 0.452 341 Q N -0.537 119.087 119.800 -0.292 0.000 2.084 341 Q HA -0.268 4.072 4.340 -0.000 0.000 0.202 341 Q C 2.199 177.600 176.000 -0.999 0.000 0.978 341 Q CA 2.217 57.680 55.803 -0.565 0.000 0.844 341 Q CB -0.125 28.364 28.738 -0.414 0.000 0.898 341 Q HN 0.712 nan 8.270 nan 0.000 0.426 342 E N 0.240 120.111 120.200 -0.548 0.000 2.152 342 E HA -0.117 4.233 4.350 -0.000 0.000 0.192 342 E C 1.850 178.320 176.600 -0.217 0.000 0.983 342 E CA 0.822 57.026 56.400 -0.327 0.000 0.818 342 E CB -0.028 29.623 29.700 -0.080 0.000 0.758 342 E HN 0.352 nan 8.360 nan 0.000 0.467 343 A N 0.602 123.296 122.820 -0.210 0.000 1.972 343 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 343 A C 2.084 179.568 177.584 -0.166 0.000 1.169 343 A CA 0.943 52.895 52.037 -0.142 0.000 0.635 343 A CB -0.412 18.507 19.000 -0.136 0.000 0.810 343 A HN 0.175 nan 8.150 nan 0.000 0.446 344 I N -1.651 118.754 120.570 -0.275 0.000 2.353 344 I HA -0.200 3.970 4.170 -0.000 0.000 0.248 344 I C 2.158 178.224 176.117 -0.085 0.000 1.119 344 I CA 0.902 62.060 61.300 -0.237 0.000 1.417 344 I CB -0.282 37.551 38.000 -0.279 0.000 1.078 344 I HN 0.358 nan 8.210 nan 0.000 0.421 345 Y N 0.639 120.918 120.300 -0.034 0.000 2.181 345 Y HA -0.182 4.368 4.550 -0.000 0.000 0.288 345 Y C 2.905 178.770 175.900 -0.059 0.000 1.146 345 Y CA 0.723 58.809 58.100 -0.025 0.000 1.164 345 Y CB -1.331 37.125 38.460 -0.007 0.000 0.982 345 Y HN 0.097 nan 8.280 nan 0.000 0.515 346 S N 0.015 115.791 115.700 0.126 0.000 2.383 346 S HA -0.110 4.360 4.470 -0.000 0.000 0.227 346 S C 2.144 176.752 174.600 0.013 0.000 1.026 346 S CA 0.988 59.244 58.200 0.094 0.000 0.981 346 S CB -0.567 62.717 63.200 0.140 0.000 0.818 346 S HN 0.348 nan 8.310 nan 0.000 0.472 347 L N 0.910 122.126 121.223 -0.011 0.000 2.141 347 L HA -0.008 4.332 4.340 -0.000 0.000 0.209 347 L C 2.075 178.966 176.870 0.035 0.000 1.094 347 L CA 0.816 55.643 54.840 -0.023 0.000 0.763 347 L CB -0.442 41.534 42.059 -0.139 0.000 0.908 347 L HN 0.289 nan 8.230 nan 0.000 0.437 348 L N -1.236 120.031 121.223 0.073 0.000 2.156 348 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 348 L C 2.556 179.560 176.870 0.222 0.000 1.095 348 L CA 1.027 56.022 54.840 0.259 0.000 0.770 348 L CB -0.264 41.977 42.059 0.304 0.000 0.914 348 L HN 0.299 nan 8.230 nan 0.000 0.439 349 M N -0.716 118.796 119.600 -0.146 0.000 2.132 349 M HA -0.199 4.281 4.480 -0.000 0.000 0.263 349 M C 2.256 178.409 176.300 -0.245 0.000 1.065 349 M CA 1.561 56.502 55.300 -0.598 0.000 1.122 349 M CB -0.191 31.879 32.600 -0.883 0.000 1.365 349 M HN 0.226 nan 8.290 nan 0.000 0.411 350 L N 0.364 121.522 121.223 -0.109 0.000 2.109 350 L HA -0.118 4.222 4.340 -0.000 0.000 0.207 350 L C 2.130 178.996 176.870 -0.006 0.000 1.086 350 L CA 1.905 56.722 54.840 -0.038 0.000 0.760 350 L CB -0.500 41.561 42.059 0.003 0.000 0.910 350 L HN 0.189 nan 8.230 nan 0.000 0.437 351 E N -1.140 119.065 120.200 0.009 0.000 2.107 351 E HA -0.190 4.160 4.350 -0.000 0.000 0.191 351 E C 1.633 178.068 176.600 -0.276 0.000 0.982 351 E CA 1.449 57.794 56.400 -0.092 0.000 0.809 351 E CB -0.087 29.597 29.700 -0.025 0.000 0.756 351 E HN 0.646 nan 8.360 nan 0.000 0.459 352 H N -1.300 117.881 119.070 0.185 0.000 2.586 352 H HA 0.294 4.850 4.556 -0.000 0.000 0.273 352 H C 0.573 176.045 175.328 0.241 0.000 0.997 352 H CA 0.507 56.688 56.048 0.222 0.000 1.177 352 H CB 0.710 30.650 29.762 0.297 0.000 1.471 352 H HN 0.268 nan 8.280 nan 0.000 0.538 353 G N 1.958 110.888 108.800 0.216 0.000 2.351 353 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.297 353 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.297 353 G C -0.205 174.844 174.900 0.249 0.000 1.054 353 G CA 0.696 45.891 45.100 0.157 0.000 1.123 353 G HN 0.528 nan 8.290 nan 0.000 0.512 354 F N -1.886 118.049 119.950 -0.024 0.000 2.713 354 F HA 0.825 5.352 4.527 -0.000 0.000 0.311 354 F C -0.910 174.800 175.800 -0.149 0.000 1.141 354 F CA -2.191 55.773 58.000 -0.059 0.000 0.939 354 F CB 1.176 40.153 39.000 -0.038 0.000 1.325 354 F HN 0.062 nan 8.300 nan 0.000 0.453 355 I N 2.517 122.984 120.570 -0.172 0.000 2.406 355 I HA 0.648 4.818 4.170 -0.000 0.000 0.290 355 I C -0.057 175.987 176.117 -0.122 0.000 0.999 355 I CA -1.108 59.940 61.300 -0.421 0.000 1.124 355 I CB 1.829 39.704 38.000 -0.207 0.000 1.289 355 I HN 0.964 nan 8.210 nan 0.000 0.441 356 A N 8.733 131.401 122.820 -0.253 0.000 2.371 356 A HA 0.593 4.913 4.320 -0.000 0.000 0.257 356 A C -2.398 175.210 177.584 0.040 0.000 1.089 356 A CA -1.228 50.839 52.037 0.050 0.000 0.794 356 A CB -0.172 18.830 19.000 0.003 0.000 1.029 356 A HN 0.421 nan 8.150 nan 0.000 0.488 357 P HA 0.122 nan 4.420 nan 0.000 0.278 357 P C -0.340 176.994 177.300 0.055 0.000 1.238 357 P CA -0.182 62.951 63.100 0.056 0.000 0.794 357 P CB 1.177 32.902 31.700 0.041 0.000 0.955 358 S N 2.647 118.392 115.700 0.075 0.000 2.409 358 S HA 0.350 4.820 4.470 -0.000 0.000 0.308 358 S C 0.657 175.292 174.600 0.058 0.000 1.080 358 S CA -0.818 57.433 58.200 0.085 0.000 1.081 358 S CB -1.321 61.973 63.200 0.156 0.000 1.009 358 S HN 0.334 nan 8.310 nan 0.000 0.502 359 I N 1.960 122.546 120.570 0.026 0.000 3.156 359 I HA 0.470 4.640 4.170 -0.000 0.000 0.306 359 I C 0.380 176.500 176.117 0.005 0.000 1.048 359 I CA -0.629 60.679 61.300 0.013 0.000 1.207 359 I CB 0.285 38.283 38.000 -0.003 0.000 1.456 359 I HN 0.500 nan 8.210 nan 0.000 0.616 360 N N 0.883 119.583 118.700 0.000 0.000 2.741 360 N HA -0.170 4.570 4.740 -0.000 0.000 0.251 360 N C -0.642 174.875 175.510 0.011 0.000 1.112 360 N CA 0.923 53.966 53.050 -0.011 0.000 0.750 360 N CB -1.454 36.999 38.487 -0.055 0.000 1.119 360 N HN 0.581 nan 8.380 nan 0.000 0.561 361 I N 0.862 121.455 120.570 0.037 0.000 2.287 361 I HA 0.074 4.244 4.170 -0.000 0.000 0.290 361 I C 1.209 177.364 176.117 0.063 0.000 1.069 361 I CA -0.193 61.145 61.300 0.063 0.000 1.237 361 I CB 1.105 39.156 38.000 0.085 0.000 1.418 361 I HN -0.117 nan 8.210 nan 0.000 0.481 362 E N 3.484 123.732 120.200 0.080 0.000 2.166 362 E HA 0.027 4.377 4.350 -0.000 0.000 0.192 362 E C 0.307 176.965 176.600 0.097 0.000 0.967 362 E CA 0.643 57.092 56.400 0.082 0.000 0.840 362 E CB 0.428 30.181 29.700 0.088 0.000 0.795 362 E HN 0.552 nan 8.360 nan 0.000 0.470 363 E N 0.700 120.974 120.200 0.123 0.000 2.373 363 E HA 0.180 4.530 4.350 -0.000 0.000 0.251 363 E C -1.238 175.409 176.600 0.077 0.000 0.923 363 E CA -0.684 55.779 56.400 0.104 0.000 0.798 363 E CB 0.665 30.451 29.700 0.144 0.000 1.303 363 E HN -0.036 nan 8.360 nan 0.000 0.412 364 L N 4.185 125.444 121.223 0.060 0.000 2.499 364 L HA 0.094 4.434 4.340 -0.000 0.000 0.273 364 L C 0.238 177.131 176.870 0.039 0.000 1.195 364 L CA 0.548 55.420 54.840 0.054 0.000 0.882 364 L CB 0.642 42.718 42.059 0.028 0.000 1.133 364 L HN 0.590 nan 8.230 nan 0.000 0.483 365 D N 3.386 123.819 120.400 0.054 0.000 2.472 365 D HA -0.106 4.534 4.640 -0.000 0.000 0.237 365 D C 0.796 177.105 176.300 0.015 0.000 1.141 365 D CA 0.331 54.354 54.000 0.038 0.000 0.875 365 D CB 0.906 41.753 40.800 0.078 0.000 1.192 365 D HN 0.819 nan 8.370 nan 0.000 0.450 366 E N 1.930 122.135 120.200 0.009 0.000 2.118 366 E HA -0.281 4.069 4.350 -0.000 0.000 0.195 366 E C 1.499 178.099 176.600 -0.001 0.000 0.992 366 E CA 0.953 57.355 56.400 0.003 0.000 0.804 366 E CB 0.129 29.831 29.700 0.004 0.000 0.741 366 E HN 0.381 nan 8.360 nan 0.000 0.458 367 Q N -0.064 119.740 119.800 0.006 0.000 2.508 367 Q HA -0.043 4.297 4.340 -0.000 0.000 0.214 367 Q C 1.285 177.271 176.000 -0.023 0.000 0.979 367 Q CA 1.183 56.988 55.803 0.003 0.000 0.911 367 Q CB -0.062 28.690 28.738 0.023 0.000 0.969 367 Q HN 0.316 nan 8.270 nan 0.000 0.504 368 A N -0.632 122.160 122.820 -0.047 0.000 2.195 368 A HA 0.529 4.849 4.320 -0.000 0.000 0.210 368 A C 1.022 178.558 177.584 -0.080 0.000 1.165 368 A CA 0.362 52.333 52.037 -0.110 0.000 0.806 368 A CB -0.403 18.489 19.000 -0.181 0.000 0.847 368 A HN 0.396 nan 8.150 nan 0.000 0.482 369 A N -0.617 122.176 122.820 -0.044 0.000 2.565 369 A HA 0.407 4.727 4.320 -0.000 0.000 0.237 369 A C 1.625 179.190 177.584 -0.030 0.000 1.053 369 A CA 0.849 52.867 52.037 -0.032 0.000 0.755 369 A CB -0.666 18.325 19.000 -0.016 0.000 0.980 369 A HN 1.993 nan 8.150 nan 0.000 0.506 370 G N 0.849 109.631 108.800 -0.029 0.000 2.175 370 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.244 370 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.244 370 G C 0.012 174.893 174.900 -0.032 0.000 0.982 370 G CA 0.318 45.405 45.100 -0.022 0.000 0.641 370 G HN 0.845 nan 8.290 nan 0.000 0.527 371 L N 0.054 121.244 121.223 -0.055 0.000 2.330 371 L HA 0.556 4.896 4.340 -0.000 0.000 0.271 371 L C 0.123 176.941 176.870 -0.085 0.000 1.013 371 L CA -1.193 53.599 54.840 -0.079 0.000 0.816 371 L CB 1.611 43.600 42.059 -0.117 0.000 1.287 371 L HN 0.066 nan 8.230 nan 0.000 0.435 372 N N 2.439 121.083 118.700 -0.093 0.000 2.868 372 N HA 0.307 5.047 4.740 -0.000 0.000 0.252 372 N C -0.892 174.572 175.510 -0.076 0.000 1.130 372 N CA -0.097 52.909 53.050 -0.073 0.000 1.026 372 N CB -0.076 38.374 38.487 -0.063 0.000 1.335 372 N HN 0.408 nan 8.380 nan 0.000 0.516 373 I N 2.696 123.219 120.570 -0.078 0.000 2.301 373 I HA 0.150 4.320 4.170 -0.000 0.000 0.292 373 I C -0.018 176.099 176.117 -0.000 0.000 1.046 373 I CA -0.892 60.371 61.300 -0.061 0.000 1.282 373 I CB 1.181 39.110 38.000 -0.118 0.000 1.409 373 I HN 0.015 nan 8.210 nan 0.000 0.484 374 V N 6.021 125.956 119.914 0.036 0.000 2.439 374 V HA 0.034 4.154 4.120 -0.000 0.000 0.271 374 V C 1.279 177.410 176.094 0.060 0.000 1.040 374 V CA 0.147 62.477 62.300 0.051 0.000 1.002 374 V CB 0.835 32.700 31.823 0.070 0.000 1.000 374 V HN 0.906 nan 8.190 nan 0.000 0.477 375 T N 0.827 115.409 114.554 0.046 0.000 3.092 375 T HA 0.276 4.626 4.350 -0.000 0.000 0.258 375 T C 0.197 174.919 174.700 0.038 0.000 1.031 375 T CA -0.225 61.903 62.100 0.047 0.000 0.925 375 T CB -0.182 68.711 68.868 0.041 0.000 1.036 375 T HN 0.806 nan 8.240 nan 0.000 0.544 376 E N 0.264 120.486 120.200 0.037 0.000 2.331 376 E HA 0.465 4.815 4.350 -0.000 0.000 0.275 376 E C -1.317 175.308 176.600 0.042 0.000 0.895 376 E CA -1.070 55.348 56.400 0.031 0.000 0.753 376 E CB 1.011 30.724 29.700 0.023 0.000 1.216 376 E HN -0.081 nan 8.360 nan 0.000 0.434 377 T N 2.382 116.961 114.554 0.042 0.000 2.905 377 T HA 0.125 4.475 4.350 -0.000 0.000 0.299 377 T C -0.364 174.376 174.700 0.067 0.000 1.024 377 T CA 0.341 62.484 62.100 0.073 0.000 1.151 377 T CB 0.307 69.195 68.868 0.033 0.000 0.987 377 T HN 0.481 nan 8.240 nan 0.000 0.535 378 T N 3.896 118.512 114.554 0.104 0.000 2.949 378 T HA 0.228 4.578 4.350 -0.000 0.000 0.300 378 T C -0.653 174.112 174.700 0.107 0.000 0.988 378 T CA -0.906 61.239 62.100 0.075 0.000 0.993 378 T CB 1.131 70.028 68.868 0.049 0.000 0.984 378 T HN 0.469 nan 8.240 nan 0.000 0.442 379 D N 2.751 123.202 120.400 0.086 0.000 2.389 379 D HA 0.473 5.113 4.640 -0.000 0.000 0.247 379 D C 0.457 176.800 176.300 0.071 0.000 1.128 379 D CA 0.131 54.192 54.000 0.101 0.000 0.884 379 D CB 1.087 41.924 40.800 0.061 0.000 1.194 379 D HN 0.449 nan 8.370 nan 0.000 0.441 380 R N 0.904 121.448 120.500 0.072 0.000 2.736 380 R HA 0.071 4.411 4.340 -0.000 0.000 0.250 380 R C -1.512 174.808 176.300 0.032 0.000 1.098 380 R CA -0.608 55.515 56.100 0.039 0.000 0.978 380 R CB 0.965 31.278 30.300 0.022 0.000 1.263 380 R HN 0.320 nan 8.270 nan 0.000 0.460 381 E N 5.016 125.231 120.200 0.026 0.000 2.166 381 E HA 0.211 4.561 4.350 -0.000 0.000 0.279 381 E C -0.823 175.784 176.600 0.012 0.000 1.095 381 E CA -0.248 56.164 56.400 0.021 0.000 0.888 381 E CB 0.543 30.254 29.700 0.018 0.000 1.041 381 E HN 0.421 nan 8.360 nan 0.000 0.414 382 L N 3.700 124.926 121.223 0.005 0.000 2.344 382 L HA 0.367 4.707 4.340 -0.000 0.000 0.272 382 L C 0.799 177.675 176.870 0.010 0.000 1.035 382 L CA -0.553 54.291 54.840 0.005 0.000 0.807 382 L CB 1.876 43.928 42.059 -0.012 0.000 1.237 382 L HN 0.604 nan 8.230 nan 0.000 0.442 383 T N -1.546 113.018 114.554 0.017 0.000 3.057 383 T HA 0.099 4.449 4.350 -0.000 0.000 0.254 383 T C 0.185 174.898 174.700 0.022 0.000 0.965 383 T CA 0.289 62.398 62.100 0.015 0.000 0.978 383 T CB 0.694 69.569 68.868 0.012 0.000 1.169 383 T HN 0.580 nan 8.240 nan 0.000 0.489 384 T N 2.792 117.365 114.554 0.032 0.000 2.879 384 T HA 0.669 5.019 4.350 -0.000 0.000 0.290 384 T C -0.760 173.973 174.700 0.055 0.000 0.993 384 T CA -0.669 61.455 62.100 0.040 0.000 0.975 384 T CB 2.024 70.916 68.868 0.040 0.000 0.981 384 T HN 0.204 nan 8.240 nan 0.000 0.439 385 V N 1.128 121.079 119.914 0.062 0.000 2.960 385 V HA 0.882 5.002 4.120 -0.000 0.000 0.315 385 V C -0.666 175.453 176.094 0.043 0.000 1.087 385 V CA -1.219 61.130 62.300 0.083 0.000 0.982 385 V CB 2.246 34.162 31.823 0.154 0.000 1.039 385 V HN 0.957 nan 8.190 nan 0.000 0.437 386 M N 2.545 122.139 119.600 -0.010 0.000 2.446 386 M HA 0.732 5.212 4.480 -0.000 0.000 0.294 386 M C -1.174 175.081 176.300 -0.074 0.000 1.158 386 M CA -0.281 55.011 55.300 -0.014 0.000 0.899 386 M CB 2.262 34.878 32.600 0.027 0.000 1.687 386 M HN 1.004 nan 8.290 nan 0.000 0.455 387 S N 3.099 118.768 115.700 -0.052 0.000 2.594 387 S HA 0.586 5.056 4.470 -0.000 0.000 0.296 387 S C -1.455 173.067 174.600 -0.130 0.000 1.124 387 S CA -0.753 57.393 58.200 -0.090 0.000 1.011 387 S CB 1.037 64.201 63.200 -0.061 0.000 1.016 387 S HN 0.834 nan 8.310 nan 0.000 0.485 388 N N 2.113 120.674 118.700 -0.231 0.000 2.473 388 N HA 0.552 5.292 4.740 -0.000 0.000 0.291 388 N C -1.280 173.870 175.510 -0.600 0.000 1.083 388 N CA -0.347 52.398 53.050 -0.509 0.000 0.951 388 N CB 1.803 39.831 38.487 -0.766 0.000 1.164 388 N HN 0.482 nan 8.380 nan 0.000 0.480 389 S N 1.587 116.853 115.700 -0.724 0.000 2.775 389 S HA 0.455 4.925 4.470 -0.000 0.000 0.277 389 S C -1.382 172.957 174.600 -0.434 0.000 1.156 389 S CA -0.569 57.391 58.200 -0.400 0.000 1.081 389 S CB 0.164 63.263 63.200 -0.168 0.000 1.054 389 S HN 0.270 nan 8.310 nan 0.000 0.482 390 F N 1.966 121.533 119.950 -0.639 0.000 2.366 390 F HA 0.591 5.118 4.527 -0.000 0.000 0.366 390 F C 0.908 176.402 175.800 -0.509 0.000 1.096 390 F CA -1.185 56.443 58.000 -0.620 0.000 1.060 390 F CB 0.963 39.542 39.000 -0.702 0.000 1.282 390 F HN 0.584 nan 8.300 nan 0.000 0.450 391 G N 1.554 110.374 108.800 0.033 0.000 2.504 391 G HA2 0.449 4.409 3.960 -0.000 0.000 0.288 391 G HA3 0.449 4.409 3.960 -0.000 0.000 0.288 391 G C -0.646 174.314 174.900 0.101 0.000 1.182 391 G CA -0.516 44.663 45.100 0.132 0.000 0.894 391 G HN 0.259 nan 8.290 nan 0.000 0.521 392 F N 0.134 120.189 119.950 0.176 0.000 2.595 392 F HA 0.329 4.856 4.527 -0.000 0.000 0.359 392 F C 1.649 177.522 175.800 0.121 0.000 1.147 392 F CA 1.798 59.897 58.000 0.164 0.000 1.341 392 F CB 0.890 40.013 39.000 0.205 0.000 1.104 392 F HN 0.838 nan 8.300 nan 0.000 0.603 393 G N 0.895 109.837 108.800 0.236 0.000 2.157 393 G HA2 0.036 3.996 3.960 -0.000 0.000 0.239 393 G HA3 0.036 3.996 3.960 -0.000 0.000 0.239 393 G C 0.847 175.801 174.900 0.091 0.000 0.982 393 G CA 0.113 45.306 45.100 0.156 0.000 0.650 393 G HN 1.882 nan 8.290 nan 0.000 0.527 394 G N -1.095 107.740 108.800 0.057 0.000 2.221 394 G HA2 0.078 4.038 3.960 -0.000 0.000 0.265 394 G HA3 0.078 4.038 3.960 -0.000 0.000 0.265 394 G C 0.371 175.288 174.900 0.027 0.000 1.041 394 G CA 1.427 46.532 45.100 0.008 0.000 0.807 394 G HN 2.015 nan 8.290 nan 0.000 0.502 395 T N 0.380 114.984 114.554 0.084 0.000 2.749 395 T HA 0.567 4.917 4.350 -0.000 0.000 0.287 395 T C -0.079 174.738 174.700 0.195 0.000 0.970 395 T CA -0.652 61.536 62.100 0.146 0.000 0.980 395 T CB 0.312 69.299 68.868 0.197 0.000 0.924 395 T HN 0.291 nan 8.240 nan 0.000 0.456 396 N N 3.281 122.099 118.700 0.197 0.000 2.321 396 N HA 0.690 5.430 4.740 -0.000 0.000 0.299 396 N C -1.113 174.520 175.510 0.205 0.000 1.048 396 N CA -0.580 52.613 53.050 0.239 0.000 0.836 396 N CB 2.040 40.585 38.487 0.097 0.000 1.269 396 N HN 0.746 nan 8.380 nan 0.000 0.486 397 A N 0.947 123.821 122.820 0.089 0.000 2.414 397 A HA 0.785 5.105 4.320 -0.000 0.000 0.306 397 A C -0.659 176.945 177.584 0.033 0.000 1.054 397 A CA -0.489 51.518 52.037 -0.051 0.000 0.724 397 A CB 1.409 20.136 19.000 -0.455 0.000 1.267 397 A HN 0.449 nan 8.150 nan 0.000 0.418 398 T N 2.037 116.648 114.554 0.095 0.000 2.916 398 T HA 0.603 4.953 4.350 -0.000 0.000 0.298 398 T C -0.979 173.798 174.700 0.129 0.000 1.031 398 T CA -0.222 61.926 62.100 0.079 0.000 0.993 398 T CB 0.895 69.837 68.868 0.122 0.000 1.045 398 T HN 0.503 nan 8.240 nan 0.000 0.454 399 L N 2.702 123.969 121.223 0.073 0.000 2.365 399 L HA 0.796 5.136 4.340 -0.000 0.000 0.273 399 L C -0.877 176.028 176.870 0.058 0.000 1.000 399 L CA -1.103 53.788 54.840 0.084 0.000 0.819 399 L CB 2.121 44.192 42.059 0.020 0.000 1.284 399 L HN 0.327 nan 8.230 nan 0.000 0.418 400 V N 3.842 123.798 119.914 0.070 0.000 2.487 400 V HA 0.524 4.644 4.120 -0.000 0.000 0.298 400 V C -0.188 175.932 176.094 0.044 0.000 1.028 400 V CA -0.349 61.986 62.300 0.058 0.000 0.860 400 V CB 1.845 33.711 31.823 0.071 0.000 0.991 400 V HN 0.712 nan 8.190 nan 0.000 0.427 401 M N 4.984 124.605 119.600 0.035 0.000 2.465 401 M HA 0.676 5.156 4.480 -0.000 0.000 0.316 401 M C -0.572 175.745 176.300 0.029 0.000 1.121 401 M CA -0.490 54.825 55.300 0.025 0.000 0.934 401 M CB 2.683 35.292 32.600 0.015 0.000 1.692 401 M HN 0.573 nan 8.290 nan 0.000 0.444 402 R N 1.610 122.123 120.500 0.022 0.000 2.604 402 R HA 0.447 4.787 4.340 -0.000 0.000 0.281 402 R C -1.183 175.121 176.300 0.008 0.000 1.020 402 R CA -0.776 55.335 56.100 0.018 0.000 0.899 402 R CB 2.006 32.316 30.300 0.017 0.000 1.205 402 R HN 0.656 nan 8.270 nan 0.000 0.450 403 K N 2.259 122.661 120.400 0.004 0.000 2.518 403 K HA -0.037 4.283 4.320 -0.000 0.000 0.276 403 K C 0.062 176.651 176.600 -0.018 0.000 0.974 403 K CA -0.069 56.211 56.287 -0.012 0.000 0.986 403 K CB 0.327 32.818 32.500 -0.016 0.000 0.901 403 K HN 0.277 nan 8.250 nan 0.000 0.497 404 L N 2.679 123.882 121.223 -0.034 0.000 2.453 404 L HA 0.036 4.376 4.340 -0.000 0.000 0.261 404 L C 0.806 177.658 176.870 -0.030 0.000 1.179 404 L CA 0.344 55.164 54.840 -0.033 0.000 0.813 404 L CB 0.836 42.866 42.059 -0.048 0.000 1.110 404 L HN 0.468 nan 8.230 nan 0.000 0.466 405 K N 1.846 122.231 120.400 -0.024 0.000 2.032 405 K HA 0.011 4.331 4.320 -0.000 0.000 0.218 405 K C 0.529 177.114 176.600 -0.024 0.000 1.054 405 K CA 2.131 58.405 56.287 -0.020 0.000 0.941 405 K CB -0.825 31.665 32.500 -0.017 0.000 0.720 405 K HN 0.921 nan 8.250 nan 0.000 0.449 406 D N 0.000 120.382 120.400 -0.030 0.000 6.856 406 D HA 0.000 4.640 4.640 -0.000 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