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 2byz_1_C DATA FIRST_RESID 1 DATA SEQUENCE MKRAVITGLG IVSSIGNNQQ EVLASLREGR SGITFSQELK DSGMRSHVWG DATA SEQUENCE NVKLDTTGLI DRKVVRFMSD ASIYAFLSME QAIADAGLSP EAYQNNPRVG DATA SEQUENCE LIAGSGGGSP RFQVFGADAM RGPRGLKAVG PYVVTKAMAS GVSACLATPF DATA SEQUENCE KIHGVNYSIS SACATSAHCI GNAVEQIQLG KQDIVFAGGG EELCWEMACE DATA SEQUENCE FDAMGALSTK YNDTPEKASR TYDAHRDGFV IAGGGGMVVV EELEHALARG DATA SEQUENCE AHIYAEIVGY GATSDGADMV APSGEGAVRC MKMAMHGVDT PIDYLNSQGT DATA SEQUENCE STPVGDVKEL AAIREVFGDK SPAISATKAM TGHSLGAAGV QEAIYSLLML DATA SEQUENCE EHGFIAPSIN IEELDEQAAG LNIVTETTDR ELTTVMSNSF GFGGTNATLV DATA SEQUENCE MRKLKD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.306 176.300 0.011 0.000 1.140 1 M CA 0.000 55.308 55.300 0.013 0.000 0.988 1 M CB 0.000 32.611 32.600 0.019 0.000 1.302 2 K N 2.973 123.379 120.400 0.009 0.000 2.527 2 K HA 0.168 4.487 4.320 -0.000 0.000 0.278 2 K C -0.713 175.889 176.600 0.003 0.000 0.981 2 K CA 0.625 56.915 56.287 0.005 0.000 1.009 2 K CB 0.337 32.837 32.500 0.001 0.000 0.895 2 K HN 0.458 nan 8.250 nan 0.000 0.493 3 R N 1.092 121.591 120.500 -0.001 0.000 2.474 3 R HA 0.633 4.973 4.340 -0.000 0.000 0.295 3 R C -0.723 175.568 176.300 -0.015 0.000 0.980 3 R CA -0.837 55.261 56.100 -0.004 0.000 0.934 3 R CB 1.838 32.136 30.300 -0.003 0.000 1.101 3 R HN 0.644 nan 8.270 nan 0.000 0.469 4 A N 2.401 125.208 122.820 -0.021 0.000 2.330 4 A HA 0.651 4.971 4.320 -0.000 0.000 0.327 4 A C -0.377 177.183 177.584 -0.040 0.000 1.155 4 A CA -0.659 51.354 52.037 -0.040 0.000 0.803 4 A CB 1.088 20.057 19.000 -0.052 0.000 1.208 4 A HN 0.535 nan 8.150 nan 0.000 0.477 5 V N -0.076 119.808 119.914 -0.049 0.000 3.102 5 V HA 0.716 4.836 4.120 -0.000 0.000 0.312 5 V C -0.743 175.322 176.094 -0.049 0.000 1.135 5 V CA -1.076 61.199 62.300 -0.042 0.000 1.022 5 V CB 1.812 33.614 31.823 -0.036 0.000 1.056 5 V HN 0.618 nan 8.190 nan 0.000 0.436 6 I N 2.968 123.524 120.570 -0.023 0.000 2.321 6 I HA 0.422 4.591 4.170 -0.000 0.000 0.291 6 I C 1.143 177.316 176.117 0.093 0.000 0.998 6 I CA 0.185 61.482 61.300 -0.005 0.000 1.227 6 I CB 1.117 39.100 38.000 -0.028 0.000 1.368 6 I HN 1.044 nan 8.210 nan 0.000 0.466 7 T N 1.193 115.789 114.554 0.070 0.000 3.044 7 T HA 0.484 4.834 4.350 -0.000 0.000 0.260 7 T C 0.559 175.391 174.700 0.219 0.000 1.019 7 T CA -0.282 61.883 62.100 0.107 0.000 0.921 7 T CB 0.498 69.377 68.868 0.018 0.000 1.053 7 T HN 0.752 nan 8.240 nan 0.000 0.533 8 G N 1.343 110.273 108.800 0.217 0.000 2.616 8 G HA2 0.549 4.509 3.960 -0.000 0.000 0.294 8 G HA3 0.549 4.509 3.960 -0.000 0.000 0.294 8 G C -2.044 172.870 174.900 0.024 0.000 1.489 8 G CA -0.929 44.296 45.100 0.209 0.000 0.836 8 G HN 0.642 nan 8.290 nan 0.000 0.527 9 L N -1.137 120.080 121.223 -0.009 0.000 2.469 9 L HA 1.069 5.409 4.340 -0.000 0.000 0.256 9 L C -0.035 176.801 176.870 -0.057 0.000 1.006 9 L CA -0.878 53.894 54.840 -0.113 0.000 0.832 9 L CB 1.854 43.743 42.059 -0.282 0.000 1.421 9 L HN 1.303 nan 8.230 nan 0.000 0.410 10 G N 0.604 109.360 108.800 -0.074 0.000 2.733 10 G HA2 0.762 4.722 3.960 -0.000 0.000 0.297 10 G HA3 0.762 4.722 3.960 -0.000 0.000 0.297 10 G C -2.091 172.775 174.900 -0.057 0.000 1.422 10 G CA -0.608 44.462 45.100 -0.050 0.000 0.942 10 G HN 1.025 nan 8.290 nan 0.000 0.510 11 I N 0.469 121.020 120.570 -0.032 0.000 2.842 11 I HA 0.631 4.801 4.170 -0.000 0.000 0.297 11 I C -1.571 174.535 176.117 -0.018 0.000 1.380 11 I CA -0.961 60.316 61.300 -0.038 0.000 1.018 11 I CB 2.366 40.337 38.000 -0.048 0.000 1.311 11 I HN 0.374 nan 8.210 nan 0.000 0.439 12 V N 6.048 125.937 119.914 -0.042 0.000 2.445 12 V HA 0.555 4.675 4.120 -0.000 0.000 0.283 12 V C -0.358 175.648 176.094 -0.147 0.000 1.014 12 V CA -0.201 62.054 62.300 -0.075 0.000 0.852 12 V CB 1.326 33.114 31.823 -0.058 0.000 1.021 12 V HN 0.819 nan 8.190 nan 0.000 0.435 13 S N 2.373 118.014 115.700 -0.097 0.000 2.697 13 S HA 0.477 4.947 4.470 -0.000 0.000 0.289 13 S C 1.179 175.726 174.600 -0.088 0.000 1.149 13 S CA 0.114 58.262 58.200 -0.086 0.000 0.850 13 S CB 1.853 65.086 63.200 0.056 0.000 1.151 13 S HN 0.926 nan 8.310 nan 0.000 0.491 14 S N 0.508 116.163 115.700 -0.075 0.000 2.442 14 S HA -0.091 4.379 4.470 -0.000 0.000 0.236 14 S C 1.473 176.053 174.600 -0.033 0.000 1.007 14 S CA 1.107 59.267 58.200 -0.066 0.000 0.965 14 S CB -1.147 62.027 63.200 -0.044 0.000 0.773 14 S HN 1.036 nan 8.310 nan 0.000 0.504 15 I N -2.453 118.104 120.570 -0.021 0.000 3.941 15 I HA 0.657 4.827 4.170 -0.000 0.000 0.335 15 I C 0.547 176.655 176.117 -0.016 0.000 1.402 15 I CA -0.391 60.892 61.300 -0.028 0.000 1.112 15 I CB 0.099 38.059 38.000 -0.068 0.000 1.043 15 I HN 0.289 nan 8.210 nan 0.000 0.395 16 G N 1.165 109.960 108.800 -0.008 0.000 2.378 16 G HA2 0.031 3.990 3.960 -0.000 0.000 0.302 16 G HA3 0.031 3.990 3.960 -0.000 0.000 0.302 16 G C -0.759 174.139 174.900 -0.003 0.000 1.669 16 G CA -0.644 44.455 45.100 -0.001 0.000 0.920 16 G HN 0.015 nan 8.290 nan 0.000 0.697 17 N N 0.128 118.827 118.700 -0.002 0.000 2.336 17 N HA 0.082 4.822 4.740 -0.000 0.000 0.189 17 N C 0.441 175.959 175.510 0.013 0.000 1.113 17 N CA 0.782 53.832 53.050 -0.000 0.000 0.858 17 N CB 0.271 38.762 38.487 0.007 0.000 0.970 17 N HN 0.820 nan 8.380 nan 0.000 0.471 18 N N -1.624 117.086 118.700 0.017 0.000 3.179 18 N HA -0.006 4.734 4.740 -0.000 0.000 0.250 18 N C 0.341 175.871 175.510 0.033 0.000 1.507 18 N CA -0.688 52.376 53.050 0.024 0.000 0.883 18 N CB 0.464 38.966 38.487 0.025 0.000 1.435 18 N HN -0.154 nan 8.380 nan 0.000 0.532 19 Q N -1.100 118.726 119.800 0.043 0.000 2.224 19 Q HA -0.108 4.232 4.340 -0.000 0.000 0.203 19 Q C 0.738 176.767 176.000 0.049 0.000 0.970 19 Q CA 1.482 57.323 55.803 0.063 0.000 0.865 19 Q CB -0.319 28.472 28.738 0.088 0.000 0.922 19 Q HN 0.648 nan 8.270 nan 0.000 0.445 20 Q N 1.335 121.153 119.800 0.029 0.000 2.046 20 Q HA -0.122 4.218 4.340 -0.000 0.000 0.200 20 Q C 1.809 177.797 176.000 -0.020 0.000 0.975 20 Q CA 1.913 57.715 55.803 -0.002 0.000 0.836 20 Q CB 0.023 28.761 28.738 -0.000 0.000 0.896 20 Q HN 0.549 nan 8.270 nan 0.000 0.428 21 E N -0.185 120.012 120.200 -0.006 0.000 2.072 21 E HA -0.135 4.215 4.350 -0.000 0.000 0.191 21 E C 2.041 178.633 176.600 -0.013 0.000 0.985 21 E CA 1.224 57.616 56.400 -0.013 0.000 0.801 21 E CB -0.012 29.686 29.700 -0.004 0.000 0.750 21 E HN 0.111 nan 8.360 nan 0.000 0.452 22 V N 1.605 121.529 119.914 0.015 0.000 2.343 22 V HA -0.243 3.877 4.120 -0.000 0.000 0.247 22 V C 2.326 178.430 176.094 0.017 0.000 1.051 22 V CA 1.442 63.763 62.300 0.036 0.000 1.036 22 V CB -0.396 31.502 31.823 0.124 0.000 0.654 22 V HN 0.236 nan 8.190 nan 0.000 0.451 23 L N 1.061 122.291 121.223 0.012 0.000 2.042 23 L HA -0.128 4.212 4.340 -0.000 0.000 0.210 23 L C 2.416 179.210 176.870 -0.125 0.000 1.076 23 L CA 2.520 57.340 54.840 -0.033 0.000 0.749 23 L CB -1.026 40.950 42.059 -0.139 0.000 0.893 23 L HN 0.221 nan 8.230 nan 0.000 0.432 24 A N -1.551 121.199 122.820 -0.117 0.000 1.902 24 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 24 A C 2.395 179.914 177.584 -0.109 0.000 1.181 24 A CA 1.915 53.873 52.037 -0.131 0.000 0.623 24 A CB -0.951 17.992 19.000 -0.094 0.000 0.818 24 A HN 0.537 nan 8.150 nan 0.000 0.443 25 S N -0.153 115.501 115.700 -0.077 0.000 2.368 25 S HA -0.079 4.391 4.470 -0.000 0.000 0.225 25 S C 1.835 176.390 174.600 -0.076 0.000 1.030 25 S CA 1.401 59.558 58.200 -0.071 0.000 0.999 25 S CB -0.454 62.706 63.200 -0.067 0.000 0.844 25 S HN 0.511 nan 8.310 nan 0.000 0.459 26 L N 0.862 122.049 121.223 -0.060 0.000 2.017 26 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 26 L C 2.719 179.609 176.870 0.033 0.000 1.073 26 L CA 1.338 56.185 54.840 0.012 0.000 0.745 26 L CB -0.447 41.714 42.059 0.169 0.000 0.894 26 L HN 0.209 nan 8.230 nan 0.000 0.432 27 R N 0.034 120.443 120.500 -0.151 0.000 2.096 27 R HA -0.144 4.196 4.340 -0.000 0.000 0.235 27 R C 1.910 178.126 176.300 -0.141 0.000 1.127 27 R CA 1.280 57.205 56.100 -0.291 0.000 0.968 27 R CB -0.119 29.881 30.300 -0.500 0.000 0.861 27 R HN 0.467 nan 8.270 nan 0.000 0.440 28 E N -0.784 119.351 120.200 -0.108 0.000 2.478 28 E HA 0.072 4.422 4.350 -0.000 0.000 0.194 28 E C 0.597 177.169 176.600 -0.046 0.000 1.045 28 E CA 0.295 56.652 56.400 -0.073 0.000 0.868 28 E CB 0.598 30.257 29.700 -0.069 0.000 0.885 28 E HN 0.450 nan 8.360 nan 0.000 0.505 29 G N 2.813 111.590 108.800 -0.039 0.000 2.273 29 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.280 29 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.280 29 G C 0.019 174.900 174.900 -0.033 0.000 1.047 29 G CA 0.412 45.495 45.100 -0.028 0.000 0.869 29 G HN 0.212 nan 8.290 nan 0.000 0.502 30 R N 0.314 120.789 120.500 -0.041 0.000 2.298 30 R HA 0.473 4.813 4.340 -0.000 0.000 0.310 30 R C 0.828 177.109 176.300 -0.032 0.000 1.068 30 R CA 0.255 56.335 56.100 -0.033 0.000 0.957 30 R CB 0.519 30.798 30.300 -0.035 0.000 1.003 30 R HN 0.280 nan 8.270 nan 0.000 0.454 31 S N 2.006 117.696 115.700 -0.016 0.000 2.580 31 S HA 0.229 4.699 4.470 -0.000 0.000 0.274 31 S C 0.905 175.508 174.600 0.006 0.000 1.329 31 S CA -0.145 58.051 58.200 -0.006 0.000 1.036 31 S CB 1.227 64.432 63.200 0.010 0.000 0.919 31 S HN 0.788 nan 8.310 nan 0.000 0.515 32 G N 3.658 112.464 108.800 0.010 0.000 3.277 32 G HA2 0.242 4.201 3.960 -0.000 0.000 0.243 32 G HA3 0.242 4.201 3.960 -0.000 0.000 0.243 32 G C 0.071 175.009 174.900 0.062 0.000 1.107 32 G CA -0.265 44.847 45.100 0.021 0.000 0.771 32 G HN 0.606 nan 8.290 nan 0.000 0.544 33 I N 2.687 123.307 120.570 0.083 0.000 2.395 33 I HA 0.383 4.553 4.170 -0.000 0.000 0.289 33 I C 0.631 176.852 176.117 0.173 0.000 1.023 33 I CA -0.307 61.078 61.300 0.142 0.000 1.350 33 I CB 0.469 38.544 38.000 0.124 0.000 1.409 33 I HN 0.083 nan 8.210 nan 0.000 0.507 34 T N 2.763 117.473 114.554 0.260 0.000 2.865 34 T HA 0.538 4.888 4.350 -0.000 0.000 0.294 34 T C -0.503 174.345 174.700 0.246 0.000 1.119 34 T CA -0.733 61.521 62.100 0.258 0.000 1.007 34 T CB 1.781 70.812 68.868 0.271 0.000 1.225 34 T HN 0.196 nan 8.240 nan 0.000 0.515 35 F N 1.697 121.689 119.950 0.070 0.000 2.471 35 F HA 0.564 5.091 4.527 -0.000 0.000 0.353 35 F C 0.431 176.139 175.800 -0.153 0.000 1.113 35 F CA -0.242 57.744 58.000 -0.023 0.000 1.262 35 F CB 0.916 39.914 39.000 -0.003 0.000 1.146 35 F HN 0.687 nan 8.300 nan 0.000 0.578 36 S N 4.896 119.774 115.700 -1.371 0.000 2.669 36 S HA 0.200 4.670 4.470 -0.000 0.000 0.315 36 S C 0.491 174.197 174.600 -1.489 0.000 1.106 36 S CA -0.654 56.657 58.200 -1.481 0.000 1.107 36 S CB 1.236 63.089 63.200 -2.246 0.000 0.990 36 S HN 0.873 nan 8.310 nan 0.000 0.471 37 Q N 3.324 122.523 119.800 -1.001 0.000 2.167 37 Q HA -0.058 4.282 4.340 -0.000 0.000 0.202 37 Q C 1.736 177.477 176.000 -0.432 0.000 0.970 37 Q CA 2.077 57.545 55.803 -0.558 0.000 0.855 37 Q CB -0.105 28.546 28.738 -0.145 0.000 0.911 37 Q HN 0.903 nan 8.270 nan 0.000 0.438 38 E N -0.476 119.473 120.200 -0.419 0.000 2.051 38 E HA -0.184 4.166 4.350 -0.000 0.000 0.192 38 E C 1.797 178.223 176.600 -0.289 0.000 0.991 38 E CA 1.235 57.489 56.400 -0.242 0.000 0.799 38 E CB -0.151 29.532 29.700 -0.028 0.000 0.748 38 E HN 0.452 nan 8.360 nan 0.000 0.449 39 L N 0.719 121.668 121.223 -0.457 0.000 2.046 39 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 39 L C 2.868 179.563 176.870 -0.291 0.000 1.077 39 L CA 1.408 56.083 54.840 -0.275 0.000 0.747 39 L CB -0.516 41.356 42.059 -0.312 0.000 0.896 39 L HN 0.152 nan 8.230 nan 0.000 0.432 40 K N 0.279 120.376 120.400 -0.504 0.000 2.026 40 K HA -0.198 4.122 4.320 -0.000 0.000 0.208 40 K C 1.611 177.989 176.600 -0.370 0.000 1.048 40 K CA 1.757 57.650 56.287 -0.656 0.000 0.929 40 K CB 0.009 32.043 32.500 -0.777 0.000 0.713 40 K HN 0.217 nan 8.250 nan 0.000 0.439 41 D N 0.291 120.505 120.400 -0.311 0.000 2.263 41 D HA -0.117 4.523 4.640 -0.000 0.000 0.208 41 D C 1.818 177.935 176.300 -0.304 0.000 0.971 41 D CA 1.367 55.215 54.000 -0.253 0.000 0.867 41 D CB -0.062 40.607 40.800 -0.217 0.000 0.929 41 D HN 0.347 nan 8.370 nan 0.000 0.492 42 S N -0.864 114.618 115.700 -0.364 0.000 2.561 42 S HA 0.170 4.639 4.470 -0.000 0.000 0.225 42 S C 1.732 176.163 174.600 -0.281 0.000 0.977 42 S CA 0.822 58.724 58.200 -0.497 0.000 0.926 42 S CB 0.205 63.086 63.200 -0.532 0.000 0.769 42 S HN 0.305 nan 8.310 nan 0.000 0.533 43 G N 0.566 109.260 108.800 -0.176 0.000 2.159 43 G HA2 -0.227 3.732 3.960 -0.000 0.000 0.227 43 G HA3 -0.227 3.732 3.960 -0.000 0.000 0.227 43 G C -0.003 174.899 174.900 0.003 0.000 0.986 43 G CA 0.121 45.172 45.100 -0.082 0.000 0.651 43 G HN 0.492 nan 8.290 nan 0.000 0.523 44 M N -0.495 119.122 119.600 0.029 0.000 2.198 44 M HA 0.407 4.886 4.480 -0.000 0.000 0.315 44 M C 1.871 178.295 176.300 0.207 0.000 1.134 44 M CA -0.002 55.365 55.300 0.111 0.000 1.171 44 M CB 0.535 33.209 32.600 0.124 0.000 1.413 44 M HN 0.159 nan 8.290 nan 0.000 0.467 45 R N -0.347 120.220 120.500 0.112 0.000 2.173 45 R HA 0.099 4.439 4.340 -0.000 0.000 0.208 45 R C 0.422 176.623 176.300 -0.165 0.000 1.035 45 R CA 0.234 56.335 56.100 0.001 0.000 1.004 45 R CB 0.243 30.532 30.300 -0.019 0.000 0.917 45 R HN 0.552 nan 8.270 nan 0.000 0.462 46 S N 0.375 116.068 115.700 -0.012 0.000 2.452 46 S HA 0.139 4.609 4.470 -0.000 0.000 0.284 46 S C -0.090 174.583 174.600 0.122 0.000 1.171 46 S CA -0.571 57.611 58.200 -0.030 0.000 1.064 46 S CB 0.368 63.565 63.200 -0.004 0.000 0.967 46 S HN 0.334 nan 8.310 nan 0.000 0.484 47 H N 2.891 121.938 119.070 -0.039 0.000 2.512 47 H HA 0.338 4.894 4.556 -0.000 0.000 0.276 47 H C 0.010 175.192 175.328 -0.244 0.000 1.126 47 H CA -0.588 55.366 56.048 -0.156 0.000 1.060 47 H CB 0.545 30.336 29.762 0.049 0.000 1.646 47 H HN 0.456 nan 8.280 nan 0.000 0.571 48 V N -1.870 118.029 119.914 -0.026 0.000 2.962 48 V HA 0.654 4.773 4.120 -0.000 0.000 0.313 48 V C -1.416 174.752 176.094 0.123 0.000 1.099 48 V CA -0.929 61.372 62.300 0.002 0.000 0.971 48 V CB 2.302 34.202 31.823 0.128 0.000 1.028 48 V HN 0.390 nan 8.190 nan 0.000 0.430 49 W N 0.899 122.226 121.300 0.045 0.000 3.059 49 W HA 0.818 5.478 4.660 -0.000 0.000 0.329 49 W C -0.360 176.186 176.519 0.045 0.000 1.246 49 W CA -1.682 55.691 57.345 0.046 0.000 1.190 49 W CB 0.769 30.251 29.460 0.037 0.000 1.423 49 W HN 1.058 nan 8.180 nan 0.000 0.571 50 G N 1.954 110.880 108.800 0.210 0.000 2.741 50 G HA2 0.411 4.371 3.960 -0.000 0.000 0.336 50 G HA3 0.411 4.371 3.960 -0.000 0.000 0.336 50 G C -0.557 174.233 174.900 -0.183 0.000 1.022 50 G CA -0.814 44.311 45.100 0.043 0.000 1.193 50 G HN 0.621 nan 8.290 nan 0.000 0.455 51 N N 0.329 118.849 118.700 -0.301 0.000 2.509 51 N HA 0.435 5.174 4.740 -0.000 0.000 0.287 51 N C -0.324 175.027 175.510 -0.264 0.000 1.121 51 N CA -0.890 51.868 53.050 -0.486 0.000 0.977 51 N CB 2.084 40.208 38.487 -0.606 0.000 1.167 51 N HN 0.015 nan 8.380 nan 0.000 0.476 52 V N 1.339 121.074 119.914 -0.298 0.000 2.508 52 V HA 0.041 4.161 4.120 -0.000 0.000 0.281 52 V C 0.368 176.392 176.094 -0.118 0.000 1.041 52 V CA -0.190 61.962 62.300 -0.247 0.000 1.016 52 V CB 0.535 32.106 31.823 -0.421 0.000 0.984 52 V HN 0.742 nan 8.190 nan 0.000 0.478 53 K N 5.430 125.789 120.400 -0.068 0.000 2.778 53 K HA 0.506 4.826 4.320 -0.000 0.000 0.238 53 K C -0.876 175.724 176.600 0.001 0.000 1.233 53 K CA -0.242 56.035 56.287 -0.016 0.000 1.195 53 K CB 0.373 32.873 32.500 -0.000 0.000 1.743 53 K HN 0.426 nan 8.250 nan 0.000 0.418 54 L N 0.354 121.585 121.223 0.013 0.000 2.493 54 L HA 0.349 4.688 4.340 -0.000 0.000 0.265 54 L C -1.701 175.201 176.870 0.054 0.000 0.954 54 L CA -0.608 54.252 54.840 0.034 0.000 0.844 54 L CB 2.042 44.123 42.059 0.038 0.000 1.302 54 L HN 0.108 nan 8.230 nan 0.000 0.405 55 D N 1.739 122.167 120.400 0.046 0.000 2.365 55 D HA 0.242 4.882 4.640 -0.000 0.000 0.237 55 D C 0.956 177.283 176.300 0.046 0.000 1.190 55 D CA 0.477 54.503 54.000 0.044 0.000 0.867 55 D CB 1.213 42.033 40.800 0.033 0.000 1.050 55 D HN 0.683 nan 8.370 nan 0.000 0.491 56 T N 0.017 114.603 114.554 0.053 0.000 3.129 56 T HA 0.033 4.383 4.350 -0.000 0.000 0.251 56 T C 0.758 175.462 174.700 0.007 0.000 1.117 56 T CA -0.292 61.835 62.100 0.044 0.000 1.034 56 T CB -0.392 68.508 68.868 0.053 0.000 0.968 56 T HN 0.246 nan 8.240 nan 0.000 0.526 57 T N 2.475 117.030 114.554 0.003 0.000 2.867 57 T HA 0.427 4.777 4.350 -0.000 0.000 0.297 57 T C 1.490 176.180 174.700 -0.017 0.000 0.989 57 T CA 0.717 62.808 62.100 -0.015 0.000 1.159 57 T CB 0.161 69.024 68.868 -0.009 0.000 0.928 57 T HN 0.720 nan 8.240 nan 0.000 0.538 58 G N 2.757 111.535 108.800 -0.036 0.000 2.162 58 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.260 58 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.260 58 G C 0.788 175.674 174.900 -0.024 0.000 0.976 58 G CA 0.260 45.340 45.100 -0.034 0.000 0.655 58 G HN 0.699 nan 8.290 nan 0.000 0.533 59 L N -0.516 120.696 121.223 -0.018 0.000 2.492 59 L HA 0.400 4.740 4.340 -0.000 0.000 0.223 59 L C 1.161 178.032 176.870 0.002 0.000 1.132 59 L CA 0.593 55.441 54.840 0.014 0.000 0.850 59 L CB 0.017 42.105 42.059 0.048 0.000 0.966 59 L HN 0.283 nan 8.230 nan 0.000 0.454 60 I N -1.166 119.351 120.570 -0.087 0.000 2.608 60 I HA 0.211 4.381 4.170 -0.000 0.000 0.295 60 I C -0.603 175.404 176.117 -0.183 0.000 1.049 60 I CA -0.996 60.185 61.300 -0.199 0.000 1.063 60 I CB 2.136 39.864 38.000 -0.454 0.000 1.248 60 I HN -0.153 nan 8.210 nan 0.000 0.424 61 D N 5.020 125.321 120.400 -0.165 0.000 2.525 61 D HA -0.033 4.606 4.640 -0.000 0.000 0.235 61 D C 1.373 177.577 176.300 -0.159 0.000 1.137 61 D CA 0.190 54.114 54.000 -0.127 0.000 0.868 61 D CB 0.928 41.669 40.800 -0.098 0.000 1.180 61 D HN 0.577 nan 8.370 nan 0.000 0.465 62 R N 2.430 122.850 120.500 -0.134 0.000 2.117 62 R HA -0.206 4.134 4.340 -0.000 0.000 0.243 62 R C 1.358 177.544 176.300 -0.189 0.000 1.143 62 R CA 0.921 56.922 56.100 -0.164 0.000 0.968 62 R CB -0.191 30.029 30.300 -0.132 0.000 0.863 62 R HN 0.097 nan 8.270 nan 0.000 0.444 63 K N 0.730 121.054 120.400 -0.125 0.000 2.209 63 K HA -0.008 4.312 4.320 -0.000 0.000 0.204 63 K C 1.856 178.448 176.600 -0.014 0.000 1.048 63 K CA 1.015 57.258 56.287 -0.075 0.000 0.940 63 K CB 0.064 32.556 32.500 -0.012 0.000 0.729 63 K HN 0.118 nan 8.250 nan 0.000 0.451 64 V N -1.151 118.717 119.914 -0.078 0.000 2.436 64 V HA -0.047 4.073 4.120 -0.000 0.000 0.240 64 V C 1.895 177.907 176.094 -0.137 0.000 1.040 64 V CA 0.976 63.237 62.300 -0.065 0.000 1.052 64 V CB -0.098 31.597 31.823 -0.214 0.000 0.707 64 V HN 0.042 nan 8.190 nan 0.000 0.469 65 V N 2.438 122.189 119.914 -0.272 0.000 2.867 65 V HA -0.207 3.913 4.120 -0.000 0.000 0.260 65 V C 2.740 178.633 176.094 -0.335 0.000 1.099 65 V CA 2.120 64.237 62.300 -0.305 0.000 1.122 65 V CB -0.712 30.931 31.823 -0.299 0.000 0.708 65 V HN 0.713 nan 8.190 nan 0.000 0.490 66 R N -1.088 119.144 120.500 -0.446 0.000 2.241 66 R HA -0.101 4.239 4.340 -0.000 0.000 0.224 66 R C 1.673 177.458 176.300 -0.859 0.000 1.101 66 R CA 1.941 57.579 56.100 -0.770 0.000 0.995 66 R CB -0.609 29.022 30.300 -1.115 0.000 0.870 66 R HN 0.516 nan 8.270 nan 0.000 0.463 67 F N 0.848 120.582 119.950 -0.360 0.000 2.727 67 F HA 0.367 4.894 4.527 -0.000 0.000 0.302 67 F C 0.730 176.383 175.800 -0.245 0.000 1.097 67 F CA -0.449 57.417 58.000 -0.223 0.000 1.330 67 F CB 0.279 39.213 39.000 -0.111 0.000 1.084 67 F HN -0.123 nan 8.300 nan 0.000 0.578 68 M N -0.129 119.374 119.600 -0.161 0.000 2.423 68 M HA 0.378 4.858 4.480 -0.000 0.000 0.335 68 M C 0.324 176.429 176.300 -0.326 0.000 1.177 68 M CA -0.705 54.476 55.300 -0.198 0.000 1.038 68 M CB 1.682 34.174 32.600 -0.180 0.000 1.641 68 M HN -0.032 nan 8.290 nan 0.000 0.455 69 S N -0.557 114.992 115.700 -0.251 0.000 2.745 69 S HA 0.348 4.817 4.470 -0.000 0.000 0.292 69 S C 0.286 174.795 174.600 -0.152 0.000 1.133 69 S CA -0.798 57.288 58.200 -0.189 0.000 0.998 69 S CB 1.124 64.300 63.200 -0.041 0.000 1.087 69 S HN 0.679 nan 8.310 nan 0.000 0.551 70 D N 1.111 121.429 120.400 -0.135 0.000 2.149 70 D HA -0.075 4.565 4.640 -0.000 0.000 0.198 70 D C 2.182 178.157 176.300 -0.542 0.000 0.990 70 D CA 1.821 55.562 54.000 -0.432 0.000 0.839 70 D CB -0.868 39.686 40.800 -0.410 0.000 0.948 70 D HN 0.682 nan 8.370 nan 0.000 0.460 71 A N 0.520 123.225 122.820 -0.191 0.000 1.883 71 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 71 A C 2.467 180.041 177.584 -0.017 0.000 1.186 71 A CA 2.096 54.116 52.037 -0.029 0.000 0.624 71 A CB -0.642 18.383 19.000 0.041 0.000 0.822 71 A HN 0.192 nan 8.150 nan 0.000 0.444 72 S N -0.321 115.354 115.700 -0.042 0.000 2.383 72 S HA -0.072 4.398 4.470 -0.000 0.000 0.227 72 S C 1.797 176.416 174.600 0.033 0.000 1.026 72 S CA 1.325 59.533 58.200 0.014 0.000 0.981 72 S CB -0.471 62.724 63.200 -0.008 0.000 0.818 72 S HN 0.535 nan 8.310 nan 0.000 0.472 73 I N 0.390 120.896 120.570 -0.107 0.000 2.179 73 I HA -0.214 3.956 4.170 -0.000 0.000 0.242 73 I C 2.056 178.224 176.117 0.085 0.000 1.088 73 I CA 1.369 62.615 61.300 -0.089 0.000 1.357 73 I CB -0.470 37.377 38.000 -0.254 0.000 1.051 73 I HN 0.263 nan 8.210 nan 0.000 0.409 74 Y N 0.903 121.244 120.300 0.068 0.000 2.181 74 Y HA -0.192 4.358 4.550 -0.000 0.000 0.288 74 Y C 2.670 178.611 175.900 0.069 0.000 1.146 74 Y CA 0.790 58.924 58.100 0.056 0.000 1.164 74 Y CB -1.355 37.116 38.460 0.019 0.000 0.982 74 Y HN 0.129 nan 8.280 nan 0.000 0.515 75 A N -0.468 122.489 122.820 0.230 0.000 1.898 75 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 75 A C 2.203 179.874 177.584 0.146 0.000 1.181 75 A CA 1.288 53.410 52.037 0.141 0.000 0.620 75 A CB -1.337 17.729 19.000 0.109 0.000 0.819 75 A HN 0.439 nan 8.150 nan 0.000 0.442 76 F N 0.624 120.622 119.950 0.081 0.000 2.102 76 F HA -0.161 4.366 4.527 -0.000 0.000 0.298 76 F C 1.931 177.815 175.800 0.140 0.000 1.105 76 F CA 1.848 59.935 58.000 0.145 0.000 1.239 76 F CB -0.177 38.890 39.000 0.111 0.000 0.991 76 F HN 0.140 nan 8.300 nan 0.000 0.474 77 L N -0.718 120.717 121.223 0.353 0.000 2.083 77 L HA -0.225 4.115 4.340 -0.000 0.000 0.209 77 L C 2.491 179.400 176.870 0.064 0.000 1.083 77 L CA 1.353 56.327 54.840 0.224 0.000 0.752 77 L CB -0.882 41.314 42.059 0.229 0.000 0.899 77 L HN 0.082 nan 8.230 nan 0.000 0.433 78 S N -0.377 115.349 115.700 0.044 0.000 2.382 78 S HA -0.211 4.259 4.470 -0.000 0.000 0.228 78 S C 1.920 176.450 174.600 -0.117 0.000 1.027 78 S CA 1.522 59.707 58.200 -0.025 0.000 0.991 78 S CB -0.208 62.981 63.200 -0.018 0.000 0.823 78 S HN 0.363 nan 8.310 nan 0.000 0.469 79 M N 1.410 120.880 119.600 -0.217 0.000 2.175 79 M HA -0.081 4.399 4.480 -0.000 0.000 0.264 79 M C 1.953 177.962 176.300 -0.486 0.000 1.063 79 M CA 1.396 56.417 55.300 -0.464 0.000 1.119 79 M CB -0.121 31.994 32.600 -0.809 0.000 1.377 79 M HN 0.220 nan 8.290 nan 0.000 0.415 80 E N -0.146 119.867 120.200 -0.312 0.000 2.085 80 E HA -0.262 4.088 4.350 -0.000 0.000 0.194 80 E C 2.046 178.587 176.600 -0.099 0.000 0.994 80 E CA 1.652 57.962 56.400 -0.149 0.000 0.801 80 E CB -0.148 29.538 29.700 -0.024 0.000 0.743 80 E HN 0.678 nan 8.360 nan 0.000 0.453 81 Q N 0.025 119.782 119.800 -0.071 0.000 2.050 81 Q HA -0.151 4.189 4.340 -0.000 0.000 0.202 81 Q C 2.232 178.211 176.000 -0.035 0.000 0.980 81 Q CA 1.347 57.132 55.803 -0.029 0.000 0.840 81 Q CB -0.170 28.560 28.738 -0.013 0.000 0.898 81 Q HN 0.225 nan 8.270 nan 0.000 0.424 82 A N 0.788 123.563 122.820 -0.075 0.000 1.933 82 A HA -0.168 4.151 4.320 -0.000 0.000 0.218 82 A C 2.017 179.586 177.584 -0.025 0.000 1.175 82 A CA 1.113 53.126 52.037 -0.042 0.000 0.628 82 A CB -0.574 18.394 19.000 -0.053 0.000 0.814 82 A HN 0.304 nan 8.150 nan 0.000 0.444 83 I N -0.488 120.013 120.570 -0.114 0.000 2.252 83 I HA -0.243 3.927 4.170 -0.000 0.000 0.245 83 I C 2.952 179.059 176.117 -0.016 0.000 1.102 83 I CA 1.014 62.245 61.300 -0.114 0.000 1.385 83 I CB -0.283 37.534 38.000 -0.306 0.000 1.064 83 I HN 0.359 nan 8.210 nan 0.000 0.414 84 A N 0.237 123.054 122.820 -0.005 0.000 1.898 84 A HA -0.273 4.047 4.320 -0.000 0.000 0.216 84 A C 1.984 179.593 177.584 0.042 0.000 1.181 84 A CA 2.159 54.213 52.037 0.029 0.000 0.620 84 A CB -0.653 18.364 19.000 0.029 0.000 0.819 84 A HN 0.426 nan 8.150 nan 0.000 0.442 85 D N -0.106 120.324 120.400 0.050 0.000 2.144 85 D HA -0.017 4.623 4.640 -0.000 0.000 0.199 85 D C 1.879 178.242 176.300 0.106 0.000 0.984 85 D CA 1.486 55.540 54.000 0.089 0.000 0.834 85 D CB -0.165 40.713 40.800 0.130 0.000 0.955 85 D HN 0.328 nan 8.370 nan 0.000 0.465 86 A N -0.693 122.182 122.820 0.092 0.000 2.119 86 A HA 0.346 4.666 4.320 -0.000 0.000 0.216 86 A C 1.855 179.482 177.584 0.072 0.000 1.152 86 A CA 1.175 53.265 52.037 0.089 0.000 0.708 86 A CB -0.623 18.411 19.000 0.057 0.000 0.805 86 A HN 0.514 nan 8.150 nan 0.000 0.460 87 G N -1.096 107.743 108.800 0.065 0.000 2.198 87 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.257 87 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.257 87 G C -0.077 174.874 174.900 0.085 0.000 1.042 87 G CA 0.303 45.441 45.100 0.063 0.000 0.791 87 G HN 0.451 nan 8.290 nan 0.000 0.502 88 L N 1.183 122.470 121.223 0.106 0.000 2.276 88 L HA 0.506 4.846 4.340 -0.000 0.000 0.286 88 L C 0.708 177.733 176.870 0.258 0.000 1.061 88 L CA -0.530 54.416 54.840 0.178 0.000 0.807 88 L CB 1.560 43.724 42.059 0.176 0.000 1.177 88 L HN 0.175 nan 8.230 nan 0.000 0.429 89 S N 3.759 119.603 115.700 0.241 0.000 2.616 89 S HA 0.277 4.747 4.470 -0.000 0.000 0.277 89 S C -1.709 172.988 174.600 0.161 0.000 1.234 89 S CA -1.104 57.208 58.200 0.187 0.000 1.028 89 S CB 1.681 64.936 63.200 0.092 0.000 0.988 89 S HN 0.428 nan 8.310 nan 0.000 0.522 90 P HA -0.098 nan 4.420 nan 0.000 0.216 90 P C 0.744 177.853 177.300 -0.319 0.000 1.150 90 P CA 1.007 63.882 63.100 -0.374 0.000 0.837 90 P CB 0.117 31.704 31.700 -0.187 0.000 0.786 91 E N -0.798 119.327 120.200 -0.125 0.000 2.265 91 E HA -0.116 4.234 4.350 -0.000 0.000 0.196 91 E C 1.922 178.485 176.600 -0.060 0.000 0.996 91 E CA 1.356 57.704 56.400 -0.086 0.000 0.832 91 E CB -0.647 29.032 29.700 -0.035 0.000 0.756 91 E HN 0.235 nan 8.360 nan 0.000 0.491 92 A N -0.097 122.713 122.820 -0.018 0.000 1.924 92 A HA -0.016 4.304 4.320 -0.000 0.000 0.211 92 A C 1.855 179.503 177.584 0.106 0.000 1.198 92 A CA 0.767 52.845 52.037 0.068 0.000 0.657 92 A CB -0.353 18.732 19.000 0.141 0.000 0.852 92 A HN 0.456 nan 8.150 nan 0.000 0.454 93 Y N -0.477 119.867 120.300 0.073 0.000 2.507 93 Y HA 0.403 4.953 4.550 -0.000 0.000 0.263 93 Y C 0.793 176.728 175.900 0.058 0.000 1.093 93 Y CA -0.473 57.684 58.100 0.094 0.000 1.285 93 Y CB -0.288 38.294 38.460 0.203 0.000 1.115 93 Y HN 0.206 nan 8.280 nan 0.000 0.533 94 Q N 1.544 121.023 119.800 -0.535 0.000 2.306 94 Q HA 0.139 4.478 4.340 -0.000 0.000 0.241 94 Q C -0.387 175.431 176.000 -0.304 0.000 0.948 94 Q CA -0.319 55.250 55.803 -0.391 0.000 0.886 94 Q CB 0.512 28.966 28.738 -0.473 0.000 1.227 94 Q HN 0.395 nan 8.270 nan 0.000 0.457 95 N N 1.460 119.869 118.700 -0.485 0.000 2.716 95 N HA -0.200 4.540 4.740 -0.000 0.000 0.250 95 N C -1.328 173.977 175.510 -0.342 0.000 1.033 95 N CA 0.709 53.240 53.050 -0.864 0.000 0.727 95 N CB -0.892 37.315 38.487 -0.468 0.000 0.950 95 N HN 0.457 nan 8.380 nan 0.000 0.541 96 N N -0.464 118.140 118.700 -0.159 0.000 2.483 96 N HA 0.355 5.094 4.740 -0.000 0.000 0.267 96 N C -2.074 173.495 175.510 0.098 0.000 0.998 96 N CA -2.142 50.917 53.050 0.014 0.000 0.918 96 N CB 1.556 40.060 38.487 0.028 0.000 1.215 96 N HN -0.159 nan 8.380 nan 0.000 0.500 97 P HA -0.023 nan 4.420 nan 0.000 0.221 97 P C 0.470 177.808 177.300 0.065 0.000 1.145 97 P CA 1.086 64.256 63.100 0.117 0.000 0.795 97 P CB 0.324 32.078 31.700 0.090 0.000 0.775 98 R N -0.978 119.547 120.500 0.041 0.000 2.356 98 R HA 0.195 4.535 4.340 -0.000 0.000 0.234 98 R C -0.354 175.924 176.300 -0.036 0.000 0.929 98 R CA 0.043 56.142 56.100 -0.001 0.000 1.084 98 R CB 0.332 30.627 30.300 -0.009 0.000 1.105 98 R HN 0.076 nan 8.270 nan 0.000 0.515 99 V N 0.417 120.338 119.914 0.010 0.000 2.407 99 V HA 0.546 4.666 4.120 -0.000 0.000 0.291 99 V C 0.374 176.504 176.094 0.059 0.000 1.018 99 V CA -0.746 61.561 62.300 0.012 0.000 0.842 99 V CB 1.597 33.486 31.823 0.110 0.000 0.996 99 V HN 0.306 nan 8.190 nan 0.000 0.426 100 G N 3.291 112.093 108.800 0.004 0.000 3.140 100 G HA2 0.853 4.813 3.960 -0.000 0.000 0.271 100 G HA3 0.853 4.813 3.960 -0.000 0.000 0.271 100 G C -1.684 173.246 174.900 0.051 0.000 1.370 100 G CA -0.779 44.329 45.100 0.013 0.000 1.014 100 G HN 0.703 nan 8.290 nan 0.000 0.541 101 L N -0.392 120.816 121.223 -0.024 0.000 2.493 101 L HA 0.712 5.052 4.340 -0.000 0.000 0.265 101 L C -1.586 175.193 176.870 -0.153 0.000 0.954 101 L CA -0.758 54.076 54.840 -0.010 0.000 0.844 101 L CB 1.826 43.907 42.059 0.036 0.000 1.302 101 L HN 0.440 nan 8.230 nan 0.000 0.405 102 I N 5.228 125.719 120.570 -0.131 0.000 2.503 102 I HA 0.776 4.946 4.170 -0.000 0.000 0.282 102 I C -0.573 175.519 176.117 -0.042 0.000 1.059 102 I CA -0.336 60.871 61.300 -0.155 0.000 1.081 102 I CB 1.770 39.667 38.000 -0.173 0.000 1.210 102 I HN 0.699 nan 8.210 nan 0.000 0.450 103 A N 4.233 127.053 122.820 0.000 0.000 2.589 103 A HA 0.949 5.269 4.320 -0.000 0.000 0.296 103 A C -0.781 176.835 177.584 0.053 0.000 1.062 103 A CA -0.373 51.676 52.037 0.021 0.000 0.686 103 A CB 1.859 20.863 19.000 0.006 0.000 1.282 103 A HN 0.779 nan 8.150 nan 0.000 0.404 104 G N -0.323 108.510 108.800 0.056 0.000 2.827 104 G HA2 0.846 4.806 3.960 -0.000 0.000 0.296 104 G HA3 0.846 4.806 3.960 -0.000 0.000 0.296 104 G C -0.486 174.450 174.900 0.061 0.000 1.362 104 G CA 0.222 45.363 45.100 0.069 0.000 0.809 104 G HN 1.928 nan 8.290 nan 0.000 0.522 105 S N -1.997 113.742 115.700 0.066 0.000 2.632 105 S HA 0.673 5.143 4.470 -0.000 0.000 0.289 105 S C 1.055 175.695 174.600 0.067 0.000 1.115 105 S CA 0.255 58.493 58.200 0.064 0.000 0.889 105 S CB 1.550 64.790 63.200 0.068 0.000 1.116 105 S HN 1.477 nan 8.310 nan 0.000 0.486 106 G N -0.284 108.554 108.800 0.064 0.000 2.430 106 G HA2 0.359 4.319 3.960 -0.000 0.000 0.216 106 G HA3 0.359 4.319 3.960 -0.000 0.000 0.216 106 G C 0.789 175.743 174.900 0.090 0.000 1.146 106 G CA 0.332 45.474 45.100 0.070 0.000 0.793 106 G HN 1.348 nan 8.290 nan 0.000 0.537 107 G N -1.356 107.499 108.800 0.091 0.000 4.530 107 G HA2 0.500 4.460 3.960 -0.000 0.000 0.284 107 G HA3 0.500 4.460 3.960 -0.000 0.000 0.284 107 G C 0.925 175.873 174.900 0.080 0.000 1.008 107 G CA 0.839 45.993 45.100 0.091 0.000 0.770 107 G HN 1.084 nan 8.290 nan 0.000 0.424 108 G N 0.631 109.476 108.800 0.076 0.000 2.620 108 G HA2 -0.176 3.783 3.960 -0.000 0.000 0.315 108 G HA3 -0.176 3.783 3.960 -0.000 0.000 0.315 108 G C 0.459 175.409 174.900 0.082 0.000 1.179 108 G CA 0.872 46.016 45.100 0.073 0.000 0.971 108 G HN 1.607 nan 8.290 nan 0.000 0.544 109 S N 1.312 117.070 115.700 0.097 0.000 2.381 109 S HA 0.638 5.108 4.470 -0.000 0.000 0.193 109 S C -1.500 173.162 174.600 0.103 0.000 1.287 109 S CA 0.084 58.359 58.200 0.125 0.000 1.199 109 S CB 1.798 65.128 63.200 0.218 0.000 1.214 109 S HN 0.259 nan 8.310 nan 0.000 0.444 110 P HA -0.075 nan 4.420 nan 0.000 0.218 110 P C 1.503 178.764 177.300 -0.065 0.000 1.149 110 P CA 0.602 63.695 63.100 -0.011 0.000 0.817 110 P CB 0.147 31.822 31.700 -0.041 0.000 0.785 111 R N -0.819 119.626 120.500 -0.092 0.000 2.070 111 R HA -0.122 4.217 4.340 -0.000 0.000 0.233 111 R C 1.857 178.037 176.300 -0.200 0.000 1.137 111 R CA 1.714 57.685 56.100 -0.214 0.000 0.945 111 R CB -0.970 29.164 30.300 -0.276 0.000 0.845 111 R HN 0.088 nan 8.270 nan 0.000 0.430 112 F N 0.525 120.496 119.950 0.034 0.000 2.456 112 F HA -0.036 4.491 4.527 -0.000 0.000 0.298 112 F C 2.527 178.430 175.800 0.172 0.000 1.104 112 F CA 0.895 58.968 58.000 0.122 0.000 1.435 112 F CB -0.121 38.916 39.000 0.061 0.000 1.078 112 F HN 0.194 nan 8.300 nan 0.000 0.546 113 Q N 0.601 120.528 119.800 0.212 0.000 2.079 113 Q HA -0.107 4.233 4.340 -0.000 0.000 0.200 113 Q C 2.067 178.118 176.000 0.086 0.000 0.974 113 Q CA 1.763 57.649 55.803 0.139 0.000 0.840 113 Q CB -0.597 28.191 28.738 0.084 0.000 0.898 113 Q HN 0.255 nan 8.270 nan 0.000 0.430 114 V N 0.767 120.705 119.914 0.040 0.000 2.427 114 V HA -0.162 3.958 4.120 -0.000 0.000 0.248 114 V C 2.032 178.146 176.094 0.033 0.000 1.051 114 V CA 1.658 63.962 62.300 0.007 0.000 1.048 114 V CB -0.844 30.940 31.823 -0.065 0.000 0.666 114 V HN 0.456 nan 8.190 nan 0.000 0.456 115 F N 2.306 122.219 119.950 -0.062 0.000 2.095 115 F HA -0.066 4.461 4.527 -0.000 0.000 0.298 115 F C 2.154 177.968 175.800 0.023 0.000 1.104 115 F CA 1.790 59.763 58.000 -0.044 0.000 1.232 115 F CB -0.924 38.003 39.000 -0.121 0.000 0.987 115 F HN 0.126 nan 8.300 nan 0.000 0.475 116 G N -0.095 108.641 108.800 -0.108 0.000 2.446 116 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.217 116 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.217 116 G C 1.830 176.610 174.900 -0.200 0.000 1.168 116 G CA 1.015 46.001 45.100 -0.189 0.000 0.771 116 G HN 0.659 nan 8.290 nan 0.000 0.551 117 A N 0.982 123.741 122.820 -0.101 0.000 1.902 117 A HA -0.043 4.277 4.320 -0.000 0.000 0.217 117 A C 2.116 179.638 177.584 -0.103 0.000 1.181 117 A CA 2.160 54.153 52.037 -0.074 0.000 0.623 117 A CB -0.467 18.517 19.000 -0.027 0.000 0.818 117 A HN 0.283 nan 8.150 nan 0.000 0.443 118 D N 0.077 120.403 120.400 -0.124 0.000 2.097 118 D HA -0.056 4.584 4.640 -0.000 0.000 0.195 118 D C 2.239 178.437 176.300 -0.170 0.000 0.989 118 D CA 1.651 55.586 54.000 -0.108 0.000 0.827 118 D CB -0.434 40.326 40.800 -0.067 0.000 0.966 118 D HN 0.416 nan 8.370 nan 0.000 0.456 119 A N 0.459 123.076 122.820 -0.339 0.000 1.873 119 A HA -0.146 4.174 4.320 -0.000 0.000 0.215 119 A C 2.128 179.599 177.584 -0.188 0.000 1.186 119 A CA 1.658 53.497 52.037 -0.330 0.000 0.616 119 A CB -0.549 18.072 19.000 -0.631 0.000 0.823 119 A HN 0.160 nan 8.150 nan 0.000 0.442 120 M N 0.081 119.577 119.600 -0.174 0.000 2.149 120 M HA -0.103 4.377 4.480 -0.000 0.000 0.261 120 M C 1.840 178.100 176.300 -0.067 0.000 1.064 120 M CA 1.543 56.785 55.300 -0.098 0.000 1.102 120 M CB -0.486 32.068 32.600 -0.077 0.000 1.369 120 M HN 0.367 nan 8.290 nan 0.000 0.408 121 R N -0.052 120.409 120.500 -0.066 0.000 2.307 121 R HA 0.162 4.502 4.340 -0.000 0.000 0.199 121 R C 1.066 177.345 176.300 -0.035 0.000 1.000 121 R CA 0.336 56.411 56.100 -0.041 0.000 1.023 121 R CB -0.504 29.776 30.300 -0.032 0.000 0.908 121 R HN 0.481 nan 8.270 nan 0.000 0.473 122 G N 1.110 109.883 108.800 -0.046 0.000 2.588 122 G HA2 0.119 4.079 3.960 -0.000 0.000 0.281 122 G HA3 0.119 4.079 3.960 -0.000 0.000 0.281 122 G C -1.480 173.405 174.900 -0.024 0.000 1.236 122 G CA -1.028 44.053 45.100 -0.032 0.000 0.969 122 G HN -0.065 nan 8.290 nan 0.000 0.504 123 P HA -0.052 nan 4.420 nan 0.000 0.223 123 P C 1.305 178.598 177.300 -0.011 0.000 1.151 123 P CA 0.539 63.632 63.100 -0.010 0.000 0.787 123 P CB 0.324 32.021 31.700 -0.005 0.000 0.788 124 R N -0.388 120.104 120.500 -0.012 0.000 2.240 124 R HA 0.112 4.452 4.340 -0.000 0.000 0.203 124 R C 1.829 178.119 176.300 -0.017 0.000 1.011 124 R CA 0.872 56.966 56.100 -0.010 0.000 1.007 124 R CB -1.190 29.108 30.300 -0.003 0.000 0.911 124 R HN 0.244 nan 8.270 nan 0.000 0.468 125 G N 1.616 110.399 108.800 -0.027 0.000 2.634 125 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.309 125 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.309 125 G C 1.022 175.901 174.900 -0.034 0.000 1.265 125 G CA 0.514 45.595 45.100 -0.031 0.000 0.998 125 G HN 0.280 nan 8.290 nan 0.000 0.551 126 L N 0.437 121.645 121.223 -0.024 0.000 2.081 126 L HA -0.125 4.215 4.340 -0.000 0.000 0.212 126 L C 3.011 179.874 176.870 -0.012 0.000 1.080 126 L CA 2.257 57.085 54.840 -0.020 0.000 0.754 126 L CB -0.516 41.534 42.059 -0.015 0.000 0.893 126 L HN 0.546 nan 8.230 nan 0.000 0.433 127 K N -0.030 120.366 120.400 -0.008 0.000 2.147 127 K HA -0.130 4.190 4.320 -0.000 0.000 0.205 127 K C 2.158 178.770 176.600 0.020 0.000 1.049 127 K CA 1.306 57.595 56.287 0.004 0.000 0.936 127 K CB -0.185 32.317 32.500 0.004 0.000 0.722 127 K HN 0.323 nan 8.250 nan 0.000 0.446 128 A N 0.729 123.553 122.820 0.006 0.000 2.021 128 A HA -0.024 4.296 4.320 -0.000 0.000 0.216 128 A C 2.247 179.850 177.584 0.032 0.000 1.163 128 A CA 0.657 52.705 52.037 0.018 0.000 0.676 128 A CB -0.169 18.813 19.000 -0.031 0.000 0.818 128 A HN 0.035 nan 8.150 nan 0.000 0.453 129 V N -0.433 119.472 119.914 -0.014 0.000 2.358 129 V HA 0.206 4.326 4.120 -0.000 0.000 0.246 129 V C 1.591 177.799 176.094 0.189 0.000 1.047 129 V CA 1.147 63.456 62.300 0.015 0.000 1.035 129 V CB -1.808 30.003 31.823 -0.018 0.000 0.658 129 V HN 1.173 nan 8.190 nan 0.000 0.452 130 G N 0.725 109.583 108.800 0.096 0.000 2.781 130 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.683 130 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.683 130 G C -1.804 173.070 174.900 -0.044 0.000 1.390 130 G CA -0.089 45.042 45.100 0.052 0.000 0.850 130 G HN 0.314 nan 8.290 nan 0.000 0.557 131 P HA 0.275 nan 4.420 nan 0.000 0.263 131 P C -0.001 177.064 177.300 -0.392 0.000 1.448 131 P CA 0.420 63.323 63.100 -0.329 0.000 0.983 131 P CB -0.008 31.449 31.700 -0.406 0.000 1.481 132 Y N -1.533 118.775 120.300 0.013 0.000 2.481 132 Y HA 0.102 4.652 4.550 -0.000 0.000 0.247 132 Y C 2.235 178.127 175.900 -0.012 0.000 1.151 132 Y CA -0.136 57.943 58.100 -0.035 0.000 1.238 132 Y CB -0.302 38.034 38.460 -0.206 0.000 1.179 132 Y HN -0.270 nan 8.280 nan 0.000 0.524 133 V N -1.113 118.904 119.914 0.172 0.000 2.427 133 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 133 V C 2.122 178.291 176.094 0.126 0.000 1.051 133 V CA 1.642 64.050 62.300 0.180 0.000 1.048 133 V CB -0.836 31.149 31.823 0.269 0.000 0.666 133 V HN 0.218 nan 8.190 nan 0.000 0.456 134 V N 1.308 121.290 119.914 0.113 0.000 2.255 134 V HA -0.306 3.814 4.120 -0.000 0.000 0.247 134 V C 2.833 178.977 176.094 0.083 0.000 1.051 134 V CA 2.754 65.109 62.300 0.091 0.000 1.018 134 V CB -1.492 30.378 31.823 0.077 0.000 0.641 134 V HN 0.813 nan 8.190 nan 0.000 0.445 135 T N -1.819 112.800 114.554 0.108 0.000 2.962 135 T HA -0.184 4.166 4.350 -0.000 0.000 0.270 135 T C 1.703 176.422 174.700 0.031 0.000 1.088 135 T CA 1.394 63.546 62.100 0.087 0.000 1.127 135 T CB -0.282 68.683 68.868 0.162 0.000 0.883 135 T HN 0.503 nan 8.240 nan 0.000 0.493 136 K N 1.019 121.406 120.400 -0.023 0.000 2.137 136 K HA 0.357 4.677 4.320 -0.000 0.000 0.202 136 K C 2.646 179.245 176.600 -0.001 0.000 1.052 136 K CA 0.885 57.089 56.287 -0.139 0.000 0.961 136 K CB -0.124 32.068 32.500 -0.513 0.000 0.741 136 K HN 0.413 nan 8.250 nan 0.000 0.452 137 A N 1.912 124.773 122.820 0.069 0.000 2.030 137 A HA 0.078 4.398 4.320 -0.000 0.000 0.215 137 A C 1.242 178.874 177.584 0.080 0.000 1.164 137 A CA -0.061 52.043 52.037 0.111 0.000 0.697 137 A CB -0.401 18.684 19.000 0.143 0.000 0.827 137 A HN 0.304 nan 8.150 nan 0.000 0.457 138 M N -1.604 118.034 119.600 0.064 0.000 2.252 138 M HA 0.471 4.951 4.480 -0.000 0.000 0.333 138 M C 0.959 177.293 176.300 0.056 0.000 1.111 138 M CA 0.428 55.762 55.300 0.056 0.000 1.140 138 M CB 0.475 33.104 32.600 0.048 0.000 1.538 138 M HN 0.054 nan 8.290 nan 0.000 0.448 139 A N 2.016 124.869 122.820 0.055 0.000 2.019 139 A HA -0.108 4.212 4.320 -0.000 0.000 0.219 139 A C 2.087 179.708 177.584 0.061 0.000 1.164 139 A CA 1.925 53.997 52.037 0.058 0.000 0.644 139 A CB -0.950 18.083 19.000 0.055 0.000 0.805 139 A HN 1.017 nan 8.150 nan 0.000 0.449 140 S N -0.821 114.915 115.700 0.059 0.000 2.631 140 S HA 0.262 4.731 4.470 -0.000 0.000 0.217 140 S C 1.710 176.344 174.600 0.058 0.000 0.958 140 S CA 0.648 58.888 58.200 0.067 0.000 0.920 140 S CB -0.481 62.761 63.200 0.070 0.000 0.776 140 S HN 0.604 nan 8.310 nan 0.000 0.517 141 G N 2.410 111.239 108.800 0.050 0.000 2.574 141 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.220 141 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.220 141 G C 1.340 176.267 174.900 0.045 0.000 1.173 141 G CA 1.367 46.490 45.100 0.039 0.000 0.772 141 G HN 0.485 nan 8.290 nan 0.000 0.585 142 V N 1.758 121.704 119.914 0.053 0.000 2.287 142 V HA -0.239 3.881 4.120 -0.000 0.000 0.248 142 V C 3.285 179.420 176.094 0.069 0.000 1.053 142 V CA 2.642 64.980 62.300 0.063 0.000 1.027 142 V CB -0.651 31.209 31.823 0.062 0.000 0.646 142 V HN 0.662 nan 8.190 nan 0.000 0.447 143 S N 0.601 116.338 115.700 0.063 0.000 2.377 143 S HA -0.034 4.436 4.470 -0.000 0.000 0.223 143 S C 2.122 176.758 174.600 0.059 0.000 1.030 143 S CA 1.063 59.297 58.200 0.056 0.000 0.970 143 S CB -0.453 62.780 63.200 0.056 0.000 0.830 143 S HN 0.553 nan 8.310 nan 0.000 0.473 144 A N 1.137 123.988 122.820 0.052 0.000 1.858 144 A HA -0.080 4.240 4.320 -0.000 0.000 0.216 144 A C 2.393 179.994 177.584 0.027 0.000 1.190 144 A CA 1.597 53.652 52.037 0.030 0.000 0.617 144 A CB -1.543 17.464 19.000 0.012 0.000 0.827 144 A HN 0.702 nan 8.150 nan 0.000 0.443 145 C N -1.120 118.205 119.300 0.042 0.000 2.466 145 C HA 0.135 4.595 4.460 -0.000 0.000 0.283 145 C C 2.245 177.331 174.990 0.159 0.000 1.472 145 C CA 0.729 59.781 59.018 0.056 0.000 1.765 145 C CB -1.412 26.356 27.740 0.046 0.000 1.724 145 C HN 0.525 nan 8.230 nan 0.000 0.560 146 L N 0.240 121.579 121.223 0.194 0.000 2.445 146 L HA 0.271 4.611 4.340 -0.000 0.000 0.207 146 L C 2.610 179.661 176.870 0.302 0.000 1.053 146 L CA 1.478 56.519 54.840 0.335 0.000 0.841 146 L CB -1.077 41.122 42.059 0.233 0.000 1.074 146 L HN 0.137 nan 8.230 nan 0.000 0.479 147 A N -0.861 122.055 122.820 0.160 0.000 1.933 147 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 147 A C 2.277 179.942 177.584 0.136 0.000 1.175 147 A CA 2.391 54.509 52.037 0.136 0.000 0.628 147 A CB -0.932 18.117 19.000 0.082 0.000 0.814 147 A HN 0.406 nan 8.150 nan 0.000 0.444 148 T N 0.476 115.083 114.554 0.088 0.000 2.639 148 T HA -0.069 4.281 4.350 -0.000 0.000 0.261 148 T C -0.018 174.704 174.700 0.036 0.000 1.053 148 T CA 1.653 63.777 62.100 0.039 0.000 1.158 148 T CB -1.085 67.760 68.868 -0.037 0.000 0.863 148 T HN 0.508 nan 8.240 nan 0.000 0.413 149 P HA -0.022 nan 4.420 nan 0.000 0.218 149 P C 0.899 178.113 177.300 -0.142 0.000 1.149 149 P CA 1.134 64.195 63.100 -0.064 0.000 0.817 149 P CB -0.282 31.388 31.700 -0.050 0.000 0.785 150 F N 0.347 120.336 119.950 0.065 0.000 2.804 150 F HA 0.127 4.654 4.527 -0.000 0.000 0.303 150 F C 0.858 176.694 175.800 0.059 0.000 1.154 150 F CA 0.137 58.167 58.000 0.050 0.000 1.401 150 F CB -0.263 38.697 39.000 -0.065 0.000 1.106 150 F HN -0.211 nan 8.300 nan 0.000 0.568 151 K N 0.309 120.792 120.400 0.138 0.000 3.096 151 K HA -0.196 4.123 4.320 -0.000 0.000 0.266 151 K C -0.436 176.205 176.600 0.068 0.000 1.043 151 K CA 0.323 56.645 56.287 0.059 0.000 0.758 151 K CB -2.386 30.079 32.500 -0.057 0.000 1.260 151 K HN 0.186 nan 8.250 nan 0.000 0.481 152 I N 1.141 121.812 120.570 0.169 0.000 2.496 152 I HA 0.032 4.202 4.170 -0.000 0.000 0.285 152 I C 1.969 178.246 176.117 0.267 0.000 1.080 152 I CA 0.307 61.719 61.300 0.188 0.000 1.404 152 I CB 0.366 38.470 38.000 0.175 0.000 1.403 152 I HN 0.253 nan 8.210 nan 0.000 0.539 153 H N 3.211 122.324 119.070 0.070 0.000 2.874 153 H HA 0.168 4.724 4.556 -0.000 0.000 0.264 153 H C 1.394 176.741 175.328 0.032 0.000 1.007 153 H CA 0.066 56.140 56.048 0.042 0.000 1.207 153 H CB 1.356 31.139 29.762 0.034 0.000 1.487 153 H HN 0.773 nan 8.280 nan 0.000 0.505 154 G N 0.738 109.628 108.800 0.150 0.000 2.873 154 G HA2 0.118 4.078 3.960 -0.000 0.000 0.170 154 G HA3 0.118 4.078 3.960 -0.000 0.000 0.170 154 G C -0.190 174.727 174.900 0.028 0.000 1.608 154 G CA -0.342 44.800 45.100 0.070 0.000 1.084 154 G HN 0.081 nan 8.290 nan 0.000 0.563 155 V N 1.083 120.982 119.914 -0.024 0.000 2.763 155 V HA 0.356 4.476 4.120 -0.000 0.000 0.306 155 V C -0.397 175.596 176.094 -0.168 0.000 1.059 155 V CA 0.208 62.448 62.300 -0.101 0.000 1.138 155 V CB 1.089 32.800 31.823 -0.188 0.000 0.940 155 V HN 0.781 nan 8.190 nan 0.000 0.489 156 N N 5.553 124.142 118.700 -0.184 0.000 2.629 156 N HA 0.473 5.213 4.740 -0.000 0.000 0.277 156 N C -1.262 174.233 175.510 -0.026 0.000 1.188 156 N CA -0.412 52.562 53.050 -0.128 0.000 0.835 156 N CB 1.030 39.519 38.487 0.003 0.000 1.420 156 N HN 0.732 nan 8.380 nan 0.000 0.542 157 Y N -1.183 119.137 120.300 0.033 0.000 2.814 157 Y HA 0.629 5.179 4.550 -0.000 0.000 0.348 157 Y C -1.389 174.527 175.900 0.028 0.000 1.245 157 Y CA -1.219 56.897 58.100 0.027 0.000 1.086 157 Y CB 0.334 38.806 38.460 0.021 0.000 1.373 157 Y HN 0.109 nan 8.280 nan 0.000 0.451 158 S N 1.312 117.221 115.700 0.348 0.000 2.537 158 S HA 0.711 5.181 4.470 -0.000 0.000 0.301 158 S C -0.951 173.787 174.600 0.230 0.000 1.092 158 S CA -0.777 57.559 58.200 0.228 0.000 1.048 158 S CB 1.323 64.602 63.200 0.133 0.000 1.053 158 S HN 0.513 nan 8.310 nan 0.000 0.501 159 I N 2.819 123.499 120.570 0.182 0.000 2.382 159 I HA 0.291 4.461 4.170 -0.000 0.000 0.285 159 I C -0.090 176.095 176.117 0.113 0.000 1.007 159 I CA -0.343 61.038 61.300 0.135 0.000 1.142 159 I CB 1.552 39.648 38.000 0.159 0.000 1.289 159 I HN 0.627 nan 8.210 nan 0.000 0.453 160 S N 3.575 119.327 115.700 0.086 0.000 2.475 160 S HA 0.656 5.126 4.470 -0.000 0.000 0.298 160 S C 0.078 174.738 174.600 0.100 0.000 1.119 160 S CA -0.497 57.758 58.200 0.091 0.000 1.085 160 S CB 1.589 64.834 63.200 0.075 0.000 1.028 160 S HN 0.651 nan 8.310 nan 0.000 0.489 161 S N 0.914 116.695 115.700 0.135 0.000 2.646 161 S HA 0.626 5.096 4.470 -0.000 0.000 0.217 161 S C 0.595 175.282 174.600 0.145 0.000 0.836 161 S CA -0.231 58.070 58.200 0.169 0.000 1.094 161 S CB -0.648 62.743 63.200 0.318 0.000 1.557 161 S HN 2.202 nan 8.310 nan 0.000 0.449 162 A N 0.642 123.522 122.820 0.102 0.000 5.391 162 A HA -0.323 3.997 4.320 -0.000 0.000 0.315 162 A C 1.580 179.164 177.584 0.000 0.000 1.874 162 A CA 1.112 53.178 52.037 0.049 0.000 0.714 162 A CB -2.079 16.945 19.000 0.040 0.000 1.335 162 A HN 1.410 nan 8.150 nan 0.000 0.382 163 C N 0.467 119.729 119.300 -0.065 0.000 2.511 163 C HA 0.415 4.875 4.460 -0.000 0.000 0.277 163 C C 2.569 177.548 174.990 -0.019 0.000 1.451 163 C CA 0.998 59.986 59.018 -0.048 0.000 1.735 163 C CB -1.830 25.877 27.740 -0.055 0.000 1.704 163 C HN 1.276 nan 8.230 nan 0.000 0.571 164 A N -0.377 122.447 122.820 0.008 0.000 2.343 164 A HA 0.128 4.448 4.320 -0.000 0.000 0.223 164 A C 1.900 179.477 177.584 -0.012 0.000 1.214 164 A CA 0.748 52.750 52.037 -0.058 0.000 0.900 164 A CB -0.531 18.443 19.000 -0.043 0.000 0.942 164 A HN 0.420 nan 8.150 nan 0.000 0.507 165 T N 1.586 116.184 114.554 0.073 0.000 2.527 165 T HA -0.284 4.066 4.350 -0.000 0.000 0.258 165 T C 2.265 177.004 174.700 0.065 0.000 1.175 165 T CA 2.820 64.982 62.100 0.103 0.000 1.168 165 T CB -0.570 68.340 68.868 0.070 0.000 0.860 165 T HN 0.814 nan 8.240 nan 0.000 0.429 166 S N 1.554 117.257 115.700 0.004 0.000 2.447 166 S HA 0.156 4.626 4.470 -0.000 0.000 0.233 166 S C 2.275 176.838 174.600 -0.063 0.000 1.006 166 S CA 0.829 59.014 58.200 -0.026 0.000 0.957 166 S CB -0.450 62.719 63.200 -0.050 0.000 0.773 166 S HN 0.577 nan 8.310 nan 0.000 0.507 167 A N 1.819 124.581 122.820 -0.098 0.000 1.872 167 A HA 0.010 4.330 4.320 -0.000 0.000 0.214 167 A C 1.933 179.451 177.584 -0.111 0.000 1.187 167 A CA 1.320 53.269 52.037 -0.147 0.000 0.614 167 A CB -1.055 17.811 19.000 -0.222 0.000 0.826 167 A HN 0.676 nan 8.150 nan 0.000 0.442 168 H N -1.622 117.463 119.070 0.025 0.000 2.423 168 H HA -0.124 4.432 4.556 -0.000 0.000 0.297 168 H C 2.177 177.480 175.328 -0.041 0.000 1.075 168 H CA 1.197 57.282 56.048 0.062 0.000 1.342 168 H CB -0.156 29.679 29.762 0.122 0.000 1.395 168 H HN 0.535 nan 8.280 nan 0.000 0.530 169 C N 0.248 119.595 119.300 0.078 0.000 2.432 169 C HA -0.141 4.319 4.460 -0.000 0.000 0.277 169 C C 2.678 177.620 174.990 -0.080 0.000 1.249 169 C CA 0.823 59.854 59.018 0.022 0.000 1.725 169 C CB -0.799 26.949 27.740 0.014 0.000 2.028 169 C HN 0.530 nan 8.230 nan 0.000 0.477 170 I N 1.011 121.500 120.570 -0.135 0.000 2.226 170 I HA -0.110 4.060 4.170 -0.000 0.000 0.245 170 I C 2.729 178.644 176.117 -0.336 0.000 1.100 170 I CA 1.793 62.974 61.300 -0.198 0.000 1.374 170 I CB -0.961 36.928 38.000 -0.185 0.000 1.057 170 I HN 0.446 nan 8.210 nan 0.000 0.413 171 G N 0.642 109.086 108.800 -0.593 0.000 2.418 171 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.217 171 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.217 171 G C 1.499 175.972 174.900 -0.712 0.000 1.158 171 G CA 0.705 44.979 45.100 -1.376 0.000 0.771 171 G HN 0.329 nan 8.290 nan 0.000 0.545 172 N N 1.092 119.612 118.700 -0.300 0.000 2.244 172 N HA -0.051 4.689 4.740 -0.000 0.000 0.183 172 N C 2.508 177.983 175.510 -0.057 0.000 1.016 172 N CA 1.085 54.110 53.050 -0.041 0.000 0.866 172 N CB -0.113 38.431 38.487 0.095 0.000 0.980 172 N HN 0.261 nan 8.380 nan 0.000 0.430 173 A N 0.566 123.314 122.820 -0.121 0.000 1.898 173 A HA -0.059 4.261 4.320 -0.000 0.000 0.216 173 A C 2.481 179.996 177.584 -0.116 0.000 1.181 173 A CA 1.116 53.081 52.037 -0.121 0.000 0.620 173 A CB -0.711 18.201 19.000 -0.148 0.000 0.819 173 A HN 0.142 nan 8.150 nan 0.000 0.442 174 V N 0.203 120.031 119.914 -0.143 0.000 2.343 174 V HA -0.288 3.832 4.120 -0.000 0.000 0.247 174 V C 2.388 178.459 176.094 -0.039 0.000 1.051 174 V CA 2.320 64.561 62.300 -0.098 0.000 1.036 174 V CB -0.890 30.867 31.823 -0.110 0.000 0.654 174 V HN 0.639 nan 8.190 nan 0.000 0.451 175 E N -0.490 119.701 120.200 -0.015 0.000 2.118 175 E HA -0.249 4.101 4.350 -0.000 0.000 0.195 175 E C 2.386 178.999 176.600 0.021 0.000 0.992 175 E CA 1.149 57.574 56.400 0.041 0.000 0.804 175 E CB -0.137 29.616 29.700 0.088 0.000 0.741 175 E HN 0.559 nan 8.360 nan 0.000 0.458 176 Q N 0.051 119.851 119.800 -0.000 0.000 2.119 176 Q HA -0.132 4.207 4.340 -0.000 0.000 0.201 176 Q C 2.201 178.187 176.000 -0.024 0.000 0.972 176 Q CA 0.948 56.747 55.803 -0.007 0.000 0.847 176 Q CB -0.098 28.623 28.738 -0.030 0.000 0.903 176 Q HN 0.295 nan 8.270 nan 0.000 0.433 177 I N 0.909 121.454 120.570 -0.041 0.000 2.286 177 I HA -0.222 3.948 4.170 -0.000 0.000 0.245 177 I C 2.336 178.442 176.117 -0.019 0.000 1.104 177 I CA 1.197 62.469 61.300 -0.046 0.000 1.397 177 I CB -0.392 37.569 38.000 -0.064 0.000 1.072 177 I HN 0.168 nan 8.210 nan 0.000 0.417 178 Q N -0.130 119.667 119.800 -0.005 0.000 2.119 178 Q HA -0.103 4.237 4.340 -0.000 0.000 0.201 178 Q C 2.132 178.140 176.000 0.014 0.000 0.972 178 Q CA 1.179 56.989 55.803 0.011 0.000 0.847 178 Q CB -0.226 28.529 28.738 0.028 0.000 0.903 178 Q HN 0.456 nan 8.270 nan 0.000 0.433 179 L N -0.286 120.946 121.223 0.015 0.000 2.622 179 L HA 0.028 4.368 4.340 -0.000 0.000 0.233 179 L C 1.159 178.035 176.870 0.011 0.000 1.156 179 L CA 0.455 55.305 54.840 0.017 0.000 0.866 179 L CB -0.400 41.673 42.059 0.024 0.000 0.980 179 L HN 0.461 nan 8.230 nan 0.000 0.448 180 G N 0.230 109.033 108.800 0.003 0.000 2.166 180 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.260 180 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.260 180 G C 1.016 175.915 174.900 -0.001 0.000 0.986 180 G CA 0.708 45.808 45.100 0.001 0.000 0.683 180 G HN 0.414 nan 8.290 nan 0.000 0.527 181 K N -0.911 119.487 120.400 -0.002 0.000 2.243 181 K HA 0.101 4.421 4.320 -0.000 0.000 0.201 181 K C 0.973 177.564 176.600 -0.016 0.000 1.051 181 K CA 0.778 57.065 56.287 -0.001 0.000 0.970 181 K CB 0.082 32.588 32.500 0.010 0.000 0.755 181 K HN 0.428 nan 8.250 nan 0.000 0.465 182 Q N -0.283 119.494 119.800 -0.039 0.000 2.421 182 Q HA 0.148 4.488 4.340 -0.000 0.000 0.280 182 Q C -0.497 175.436 176.000 -0.112 0.000 1.085 182 Q CA -0.357 55.403 55.803 -0.072 0.000 0.807 182 Q CB 2.008 30.693 28.738 -0.088 0.000 1.405 182 Q HN -0.041 nan 8.270 nan 0.000 0.419 183 D N 0.283 120.578 120.400 -0.175 0.000 2.324 183 D HA 0.267 4.907 4.640 -0.000 0.000 0.212 183 D C 0.276 176.342 176.300 -0.389 0.000 0.984 183 D CA 0.827 54.648 54.000 -0.298 0.000 0.885 183 D CB 1.299 41.821 40.800 -0.463 0.000 0.996 183 D HN 0.366 nan 8.370 nan 0.000 0.505 184 I N 0.609 120.968 120.570 -0.351 0.000 2.656 184 I HA 0.262 4.432 4.170 -0.000 0.000 0.292 184 I C -1.218 174.674 176.117 -0.375 0.000 1.144 184 I CA -0.776 60.281 61.300 -0.405 0.000 1.038 184 I CB 3.394 41.098 38.000 -0.494 0.000 1.244 184 I HN -0.415 nan 8.210 nan 0.000 0.420 185 V N 5.662 125.322 119.914 -0.422 0.000 2.612 185 V HA 0.389 4.508 4.120 -0.000 0.000 0.301 185 V C -0.760 175.090 176.094 -0.406 0.000 1.059 185 V CA -0.581 61.521 62.300 -0.330 0.000 0.886 185 V CB 1.864 33.565 31.823 -0.203 0.000 1.007 185 V HN 0.383 nan 8.190 nan 0.000 0.426 186 F N 3.391 123.229 119.950 -0.186 0.000 2.438 186 F HA 0.683 5.210 4.527 -0.000 0.000 0.356 186 F C 0.738 176.429 175.800 -0.181 0.000 1.099 186 F CA 0.040 57.912 58.000 -0.213 0.000 1.185 186 F CB 1.180 40.011 39.000 -0.281 0.000 1.115 186 F HN 0.575 nan 8.300 nan 0.000 0.526 187 A N 2.449 125.253 122.820 -0.027 0.000 2.393 187 A HA 0.930 5.250 4.320 -0.000 0.000 0.306 187 A C -0.062 177.486 177.584 -0.059 0.000 1.050 187 A CA 0.098 52.100 52.037 -0.059 0.000 0.724 187 A CB 1.475 20.413 19.000 -0.102 0.000 1.248 187 A HN 1.028 nan 8.150 nan 0.000 0.424 188 G N -0.231 108.539 108.800 -0.049 0.000 2.512 188 G HA2 0.750 4.710 3.960 -0.000 0.000 0.181 188 G HA3 0.750 4.710 3.960 -0.000 0.000 0.181 188 G C -0.096 174.789 174.900 -0.025 0.000 1.173 188 G CA 0.472 45.541 45.100 -0.052 0.000 0.988 188 G HN 2.394 nan 8.290 nan 0.000 0.485 189 G N -2.160 106.632 108.800 -0.014 0.000 2.320 189 G HA2 0.776 4.736 3.960 -0.000 0.000 0.296 189 G HA3 0.776 4.736 3.960 -0.000 0.000 0.296 189 G C -0.526 174.397 174.900 0.038 0.000 1.306 189 G CA 0.706 45.816 45.100 0.017 0.000 0.836 189 G HN 2.104 nan 8.290 nan 0.000 0.517 190 G N -1.321 107.518 108.800 0.065 0.000 2.684 190 G HA2 0.708 4.668 3.960 -0.000 0.000 0.290 190 G HA3 0.708 4.668 3.960 -0.000 0.000 0.290 190 G C -1.928 173.041 174.900 0.115 0.000 1.425 190 G CA -0.242 44.928 45.100 0.117 0.000 0.822 190 G HN 0.762 nan 8.290 nan 0.000 0.482 191 E N -0.290 120.013 120.200 0.173 0.000 2.343 191 E HA 0.345 4.695 4.350 -0.000 0.000 0.286 191 E C -0.269 176.455 176.600 0.207 0.000 0.915 191 E CA -0.653 55.828 56.400 0.135 0.000 0.784 191 E CB 1.449 31.193 29.700 0.074 0.000 1.251 191 E HN 0.714 nan 8.360 nan 0.000 0.407 192 E N 3.006 123.292 120.200 0.144 0.000 2.371 192 E HA 0.433 4.783 4.350 -0.000 0.000 0.257 192 E C -0.744 175.919 176.600 0.104 0.000 1.134 192 E CA -0.845 55.640 56.400 0.141 0.000 0.919 192 E CB 1.158 30.892 29.700 0.056 0.000 1.025 192 E HN 0.243 nan 8.360 nan 0.000 0.438 193 L N 1.950 123.208 121.223 0.059 0.000 2.349 193 L HA 0.493 4.833 4.340 -0.000 0.000 0.278 193 L C -1.345 175.545 176.870 0.033 0.000 0.996 193 L CA -0.351 54.478 54.840 -0.018 0.000 0.825 193 L CB 1.016 42.916 42.059 -0.267 0.000 1.243 193 L HN 0.954 nan 8.230 nan 0.000 0.412 194 C N 2.159 121.550 119.300 0.152 0.000 3.302 194 C HA 0.386 4.846 4.460 -0.000 0.000 0.347 194 C C 0.999 176.101 174.990 0.187 0.000 1.218 194 C CA -0.993 58.125 59.018 0.167 0.000 1.234 194 C CB 0.448 28.157 27.740 -0.052 0.000 1.551 194 C HN 1.072 nan 8.230 nan 0.000 0.501 195 W N 1.032 122.456 121.300 0.207 0.000 2.374 195 W HA 0.010 4.670 4.660 -0.000 0.000 0.288 195 W C 1.032 177.624 176.519 0.122 0.000 1.218 195 W CA 1.892 59.322 57.345 0.141 0.000 1.245 195 W CB -1.019 28.483 29.460 0.070 0.000 1.126 195 W HN 0.888 nan 8.180 nan 0.000 0.545 196 E N 0.765 120.340 120.200 -1.042 0.000 2.097 196 E HA -0.259 4.091 4.350 -0.000 0.000 0.196 196 E C 2.351 178.785 176.600 -0.277 0.000 1.000 196 E CA 2.681 58.478 56.400 -1.003 0.000 0.804 196 E CB -0.643 28.518 29.700 -0.899 0.000 0.740 196 E HN 0.359 nan 8.360 nan 0.000 0.454 197 M N -0.737 118.806 119.600 -0.094 0.000 2.429 197 M HA 0.117 4.597 4.480 -0.000 0.000 0.265 197 M C 2.089 178.551 176.300 0.269 0.000 1.120 197 M CA 1.095 56.450 55.300 0.093 0.000 1.173 197 M CB 0.126 32.812 32.600 0.143 0.000 1.343 197 M HN 0.169 nan 8.290 nan 0.000 0.464 198 A N 0.591 123.588 122.820 0.294 0.000 1.940 198 A HA -0.233 4.087 4.320 -0.000 0.000 0.219 198 A C 2.327 180.115 177.584 0.341 0.000 1.176 198 A CA 1.839 54.102 52.037 0.377 0.000 0.631 198 A CB -1.736 17.456 19.000 0.319 0.000 0.814 198 A HN 0.869 nan 8.150 nan 0.000 0.446 199 C N -0.748 118.726 119.300 0.291 0.000 2.411 199 C HA -0.066 4.394 4.460 -0.000 0.000 0.279 199 C C 2.164 177.256 174.990 0.170 0.000 1.288 199 C CA 1.157 60.322 59.018 0.246 0.000 1.764 199 C CB -1.563 26.367 27.740 0.315 0.000 1.974 199 C HN 0.626 nan 8.230 nan 0.000 0.498 200 E N 0.438 120.711 120.200 0.120 0.000 2.150 200 E HA -0.018 4.332 4.350 -0.000 0.000 0.193 200 E C 1.714 178.273 176.600 -0.069 0.000 0.985 200 E CA 1.340 57.728 56.400 -0.019 0.000 0.814 200 E CB -0.294 29.326 29.700 -0.133 0.000 0.752 200 E HN 0.787 nan 8.360 nan 0.000 0.466 201 F N 0.590 120.618 119.950 0.130 0.000 2.234 201 F HA -0.088 4.439 4.527 -0.000 0.000 0.296 201 F C 2.152 177.987 175.800 0.058 0.000 1.089 201 F CA 0.950 59.033 58.000 0.139 0.000 1.343 201 F CB -0.107 38.979 39.000 0.143 0.000 1.040 201 F HN -0.007 nan 8.300 nan 0.000 0.498 202 D N 0.432 120.957 120.400 0.209 0.000 2.117 202 D HA -0.159 4.481 4.640 -0.000 0.000 0.197 202 D C 2.263 178.616 176.300 0.087 0.000 0.987 202 D CA 1.306 55.372 54.000 0.111 0.000 0.829 202 D CB -0.239 40.624 40.800 0.106 0.000 0.961 202 D HN 0.172 nan 8.370 nan 0.000 0.460 203 A N -0.018 122.851 122.820 0.083 0.000 2.076 203 A HA -0.120 4.200 4.320 -0.000 0.000 0.220 203 A C 2.277 179.885 177.584 0.041 0.000 1.160 203 A CA 1.106 53.175 52.037 0.052 0.000 0.653 203 A CB -0.512 18.511 19.000 0.039 0.000 0.801 203 A HN 0.317 nan 8.150 nan 0.000 0.455 204 M N -1.917 117.719 119.600 0.061 0.000 2.541 204 M HA 0.149 4.629 4.480 -0.000 0.000 0.252 204 M C 1.369 177.718 176.300 0.081 0.000 1.125 204 M CA 0.801 56.139 55.300 0.064 0.000 1.091 204 M CB 0.276 32.942 32.600 0.109 0.000 1.420 204 M HN 0.623 nan 8.290 nan 0.000 0.486 205 G N 0.494 109.342 108.800 0.079 0.000 2.147 205 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.244 205 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.244 205 G C 0.698 175.647 174.900 0.082 0.000 1.005 205 G CA 0.361 45.499 45.100 0.064 0.000 0.713 205 G HN 0.561 nan 8.290 nan 0.000 0.515 206 A N -0.886 122.003 122.820 0.114 0.000 2.147 206 A HA 0.669 4.989 4.320 -0.000 0.000 0.211 206 A C 1.253 178.741 177.584 -0.159 0.000 1.160 206 A CA 0.621 52.738 52.037 0.132 0.000 0.781 206 A CB 0.154 19.400 19.000 0.409 0.000 0.842 206 A HN 0.613 nan 8.150 nan 0.000 0.475 207 L N -0.069 121.019 121.223 -0.226 0.000 2.379 207 L HA 0.342 4.682 4.340 -0.000 0.000 0.269 207 L C 0.727 177.522 176.870 -0.125 0.000 1.084 207 L CA -0.561 54.069 54.840 -0.350 0.000 0.802 207 L CB 1.514 43.414 42.059 -0.266 0.000 1.175 207 L HN 0.157 nan 8.230 nan 0.000 0.448 208 S N -0.056 115.596 115.700 -0.079 0.000 2.531 208 S HA 0.169 4.639 4.470 -0.000 0.000 0.279 208 S C 0.719 175.331 174.600 0.020 0.000 1.305 208 S CA 0.069 58.294 58.200 0.041 0.000 1.058 208 S CB 0.457 63.725 63.200 0.113 0.000 0.899 208 S HN 0.812 nan 8.310 nan 0.000 0.493 209 T N 1.647 116.208 114.554 0.011 0.000 3.041 209 T HA 0.328 4.678 4.350 -0.000 0.000 0.276 209 T C 0.867 175.498 174.700 -0.116 0.000 0.948 209 T CA -0.497 61.560 62.100 -0.072 0.000 0.885 209 T CB 0.065 68.883 68.868 -0.084 0.000 1.175 209 T HN 0.501 nan 8.240 nan 0.000 0.529 210 K N 0.820 121.142 120.400 -0.130 0.000 2.444 210 K HA 0.224 4.544 4.320 -0.000 0.000 0.193 210 K C -0.314 175.928 176.600 -0.596 0.000 1.024 210 K CA 0.355 56.417 56.287 -0.375 0.000 1.077 210 K CB 0.027 32.219 32.500 -0.514 0.000 0.833 210 K HN 0.571 nan 8.250 nan 0.000 0.517 211 Y N -0.112 120.180 120.300 -0.013 0.000 2.715 211 Y HA 0.234 4.784 4.550 -0.000 0.000 0.255 211 Y C 0.951 176.860 175.900 0.015 0.000 1.139 211 Y CA -0.542 57.560 58.100 0.004 0.000 1.151 211 Y CB -0.238 38.234 38.460 0.020 0.000 1.201 211 Y HN 0.064 nan 8.280 nan 0.000 0.556 212 N N 0.606 119.351 118.700 0.075 0.000 2.272 212 N HA -0.185 4.555 4.740 -0.000 0.000 0.185 212 N C 0.867 176.449 175.510 0.120 0.000 1.014 212 N CA 1.369 54.487 53.050 0.114 0.000 0.870 212 N CB 0.076 38.578 38.487 0.025 0.000 0.975 212 N HN 0.346 nan 8.380 nan 0.000 0.433 213 D N -0.107 120.326 120.400 0.054 0.000 2.277 213 D HA -0.044 4.596 4.640 -0.000 0.000 0.208 213 D C 0.589 176.913 176.300 0.041 0.000 0.962 213 D CA 1.040 55.046 54.000 0.011 0.000 0.865 213 D CB 0.075 40.869 40.800 -0.011 0.000 0.939 213 D HN 0.334 nan 8.370 nan 0.000 0.510 214 T N -1.906 112.708 114.554 0.101 0.000 3.317 214 T HA 0.335 4.685 4.350 -0.000 0.000 0.361 214 T C -2.341 172.435 174.700 0.127 0.000 1.499 214 T CA -1.694 60.468 62.100 0.104 0.000 1.529 214 T CB 1.920 70.858 68.868 0.116 0.000 0.997 214 T HN -0.296 nan 8.240 nan 0.000 0.624 215 P HA -0.172 nan 4.420 nan 0.000 0.216 215 P C 1.356 178.715 177.300 0.100 0.000 1.157 215 P CA 1.341 64.528 63.100 0.144 0.000 0.880 215 P CB 0.139 31.944 31.700 0.176 0.000 0.791 216 E N -0.762 119.482 120.200 0.073 0.000 2.472 216 E HA -0.120 4.229 4.350 -0.000 0.000 0.200 216 E C 1.225 177.825 176.600 -0.001 0.000 1.046 216 E CA 0.697 57.121 56.400 0.040 0.000 0.871 216 E CB -0.207 29.513 29.700 0.033 0.000 0.806 216 E HN 0.415 nan 8.360 nan 0.000 0.533 217 K N -0.430 119.959 120.400 -0.018 0.000 2.374 217 K HA 0.233 4.553 4.320 -0.000 0.000 0.202 217 K C 1.665 178.089 176.600 -0.294 0.000 1.040 217 K CA 0.211 56.425 56.287 -0.121 0.000 1.085 217 K CB 0.857 33.298 32.500 -0.097 0.000 0.873 217 K HN -0.035 nan 8.250 nan 0.000 0.539 218 A N 1.467 124.203 122.820 -0.141 0.000 1.877 218 A HA -0.083 4.237 4.320 -0.000 0.000 0.216 218 A C 1.442 178.943 177.584 -0.138 0.000 1.186 218 A CA 1.253 53.215 52.037 -0.124 0.000 0.620 218 A CB -0.178 18.876 19.000 0.090 0.000 0.822 218 A HN 0.172 nan 8.150 nan 0.000 0.443 219 S N 0.710 116.375 115.700 -0.057 0.000 2.416 219 S HA 0.400 4.870 4.470 -0.000 0.000 0.287 219 S C 0.294 174.845 174.600 -0.081 0.000 1.139 219 S CA -0.613 57.569 58.200 -0.029 0.000 1.058 219 S CB -0.179 63.032 63.200 0.019 0.000 0.967 219 S HN 0.478 nan 8.310 nan 0.000 0.495 220 R N 2.932 123.375 120.500 -0.094 0.000 2.638 220 R HA 0.200 4.540 4.340 -0.000 0.000 0.261 220 R C -0.717 175.539 176.300 -0.073 0.000 1.515 220 R CA -0.639 55.407 56.100 -0.091 0.000 1.623 220 R CB -0.865 29.350 30.300 -0.141 0.000 1.347 220 R HN 0.425 nan 8.270 nan 0.000 0.705 221 T N 2.113 116.588 114.554 -0.133 0.000 2.891 221 T HA -0.092 4.258 4.350 -0.000 0.000 0.296 221 T C -0.034 174.511 174.700 -0.259 0.000 1.025 221 T CA 0.975 62.881 62.100 -0.323 0.000 1.149 221 T CB -0.127 68.426 68.868 -0.525 0.000 1.007 221 T HN 0.551 nan 8.240 nan 0.000 0.528 222 Y N -1.271 119.052 120.300 0.039 0.000 4.936 222 Y HA -0.210 4.340 4.550 -0.000 0.000 0.260 222 Y C 0.693 176.619 175.900 0.043 0.000 0.928 222 Y CA 0.498 58.621 58.100 0.038 0.000 1.869 222 Y CB -2.248 36.230 38.460 0.029 0.000 1.344 222 Y HN 0.776 nan 8.280 nan 0.000 0.521 223 D N 0.556 121.040 120.400 0.141 0.000 2.351 223 D HA 0.572 5.212 4.640 -0.000 0.000 0.251 223 D C 1.255 177.640 176.300 0.140 0.000 1.137 223 D CA 0.749 54.830 54.000 0.134 0.000 0.879 223 D CB 1.296 42.151 40.800 0.091 0.000 1.181 223 D HN 0.269 nan 8.370 nan 0.000 0.448 224 A N 3.388 126.303 122.820 0.158 0.000 2.084 224 A HA -0.199 4.121 4.320 -0.000 0.000 0.221 224 A C 1.070 178.608 177.584 -0.077 0.000 1.161 224 A CA 1.428 53.498 52.037 0.054 0.000 0.653 224 A CB -0.558 18.466 19.000 0.041 0.000 0.802 224 A HN 0.761 nan 8.150 nan 0.000 0.457 225 H N -0.528 118.597 119.070 0.092 0.000 2.487 225 H HA 0.193 4.749 4.556 -0.000 0.000 0.290 225 H C 0.559 175.991 175.328 0.174 0.000 1.081 225 H CA -0.196 55.934 56.048 0.138 0.000 1.116 225 H CB -0.005 29.865 29.762 0.179 0.000 1.560 225 H HN 0.628 nan 8.280 nan 0.000 0.548 226 R N 1.254 121.857 120.500 0.172 0.000 2.694 226 R HA 0.082 4.422 4.340 -0.000 0.000 0.268 226 R C -0.504 175.897 176.300 0.168 0.000 1.061 226 R CA 0.202 56.383 56.100 0.134 0.000 1.133 226 R CB 0.506 30.848 30.300 0.070 0.000 1.020 226 R HN 0.190 nan 8.270 nan 0.000 0.475 227 D N 0.379 120.893 120.400 0.190 0.000 2.865 227 D HA 0.229 4.869 4.640 -0.000 0.000 0.347 227 D C -0.049 176.323 176.300 0.120 0.000 1.498 227 D CA -0.015 54.081 54.000 0.159 0.000 0.787 227 D CB 0.399 41.310 40.800 0.184 0.000 1.190 227 D HN 0.929 nan 8.370 nan 0.000 0.445 228 G N 0.391 109.263 108.800 0.120 0.000 2.428 228 G HA2 0.236 4.196 3.960 -0.000 0.000 0.681 228 G HA3 0.236 4.196 3.960 -0.000 0.000 0.681 228 G C -0.560 174.413 174.900 0.122 0.000 1.340 228 G CA -0.708 44.453 45.100 0.100 0.000 0.915 228 G HN 0.338 nan 8.290 nan 0.000 0.645 229 F N -0.337 119.668 119.950 0.090 0.000 2.375 229 F HA 0.810 5.337 4.527 -0.000 0.000 0.313 229 F C 0.269 176.112 175.800 0.072 0.000 1.176 229 F CA -1.391 56.653 58.000 0.074 0.000 1.142 229 F CB 1.169 40.232 39.000 0.104 0.000 1.275 229 F HN 0.403 nan 8.300 nan 0.000 0.544 230 V N 4.058 124.165 119.914 0.321 0.000 2.347 230 V HA 0.264 4.384 4.120 -0.000 0.000 0.280 230 V C 0.219 176.526 176.094 0.355 0.000 1.021 230 V CA -0.878 61.544 62.300 0.204 0.000 0.847 230 V CB 1.105 33.032 31.823 0.173 0.000 0.990 230 V HN 0.852 nan 8.190 nan 0.000 0.444 231 I N 4.585 125.308 120.570 0.255 0.000 2.692 231 I HA 0.505 4.675 4.170 -0.000 0.000 0.284 231 I C 0.503 176.752 176.117 0.221 0.000 1.159 231 I CA 0.535 62.004 61.300 0.281 0.000 1.423 231 I CB 0.854 38.962 38.000 0.179 0.000 1.380 231 I HN 0.812 nan 8.210 nan 0.000 0.580 232 A N 4.898 127.795 122.820 0.128 0.000 2.569 232 A HA 0.877 5.197 4.320 -0.000 0.000 0.290 232 A C -0.613 176.953 177.584 -0.030 0.000 1.136 232 A CA -0.151 51.906 52.037 0.033 0.000 0.710 232 A CB 1.347 20.373 19.000 0.042 0.000 1.303 232 A HN 0.816 nan 8.150 nan 0.000 0.413 233 G N -1.728 107.002 108.800 -0.117 0.000 2.714 233 G HA2 0.919 4.879 3.960 -0.000 0.000 0.292 233 G HA3 0.919 4.879 3.960 -0.000 0.000 0.292 233 G C -0.070 174.688 174.900 -0.237 0.000 1.308 233 G CA -0.267 44.772 45.100 -0.102 0.000 0.964 233 G HN 2.247 nan 8.290 nan 0.000 0.484 234 G N -2.133 106.500 108.800 -0.279 0.000 2.362 234 G HA2 0.620 4.580 3.960 -0.000 0.000 0.288 234 G HA3 0.620 4.580 3.960 -0.000 0.000 0.288 234 G C -0.407 174.431 174.900 -0.103 0.000 1.305 234 G CA 0.211 45.027 45.100 -0.473 0.000 0.910 234 G HN 1.904 nan 8.290 nan 0.000 0.518 235 G N -1.929 106.823 108.800 -0.081 0.000 2.682 235 G HA2 1.045 5.005 3.960 -0.000 0.000 0.290 235 G HA3 1.045 5.005 3.960 -0.000 0.000 0.290 235 G C -0.349 174.530 174.900 -0.035 0.000 1.425 235 G CA 0.276 45.393 45.100 0.028 0.000 0.807 235 G HN 2.120 nan 8.290 nan 0.000 0.482 236 G N -1.359 107.418 108.800 -0.039 0.000 2.667 236 G HA2 0.663 4.623 3.960 -0.000 0.000 0.294 236 G HA3 0.663 4.623 3.960 -0.000 0.000 0.294 236 G C -1.727 173.126 174.900 -0.078 0.000 1.467 236 G CA -0.543 44.507 45.100 -0.084 0.000 0.852 236 G HN 1.011 nan 8.290 nan 0.000 0.521 237 M N 0.953 120.498 119.600 -0.093 0.000 2.413 237 M HA 0.673 5.152 4.480 -0.000 0.000 0.287 237 M C -1.050 175.196 176.300 -0.090 0.000 1.186 237 M CA -0.685 54.564 55.300 -0.085 0.000 0.927 237 M CB 2.254 34.796 32.600 -0.096 0.000 1.715 237 M HN 1.284 nan 8.290 nan 0.000 0.478 238 V N 1.530 121.393 119.914 -0.085 0.000 3.001 238 V HA 0.921 5.040 4.120 -0.000 0.000 0.314 238 V C -1.232 174.806 176.094 -0.093 0.000 1.099 238 V CA -0.912 61.326 62.300 -0.103 0.000 0.989 238 V CB 1.925 33.662 31.823 -0.144 0.000 1.040 238 V HN 0.624 nan 8.190 nan 0.000 0.434 239 V N 3.177 123.022 119.914 -0.114 0.000 2.334 239 V HA 0.379 4.499 4.120 -0.000 0.000 0.267 239 V C 0.106 176.068 176.094 -0.221 0.000 1.040 239 V CA -0.372 61.788 62.300 -0.234 0.000 0.866 239 V CB 1.054 32.757 31.823 -0.200 0.000 1.019 239 V HN 0.724 nan 8.190 nan 0.000 0.468 240 V N 5.202 124.953 119.914 -0.271 0.000 2.406 240 V HA 0.459 4.579 4.120 -0.000 0.000 0.272 240 V C 0.094 176.045 176.094 -0.238 0.000 1.043 240 V CA -0.227 61.948 62.300 -0.208 0.000 0.915 240 V CB 1.334 33.043 31.823 -0.189 0.000 0.988 240 V HN 0.971 nan 8.190 nan 0.000 0.466 241 E N 2.791 122.887 120.200 -0.173 0.000 2.367 241 E HA 0.350 4.700 4.350 -0.000 0.000 0.273 241 E C -0.851 175.688 176.600 -0.102 0.000 0.903 241 E CA -0.753 55.545 56.400 -0.169 0.000 0.764 241 E CB 1.866 31.485 29.700 -0.135 0.000 1.252 241 E HN 0.680 nan 8.360 nan 0.000 0.446 242 E N 3.480 123.622 120.200 -0.096 0.000 2.360 242 E HA -0.018 4.332 4.350 -0.000 0.000 0.269 242 E C 0.814 177.421 176.600 0.012 0.000 1.022 242 E CA -0.128 56.251 56.400 -0.035 0.000 0.887 242 E CB 1.176 30.862 29.700 -0.024 0.000 0.990 242 E HN 0.613 nan 8.360 nan 0.000 0.426 243 L N 5.495 126.720 121.223 0.004 0.000 1.978 243 L HA -0.250 4.090 4.340 -0.000 0.000 0.218 243 L C 1.902 178.785 176.870 0.021 0.000 1.075 243 L CA 2.019 56.863 54.840 0.006 0.000 0.767 243 L CB -0.466 41.592 42.059 -0.003 0.000 0.890 243 L HN 0.564 nan 8.230 nan 0.000 0.434 244 E N -1.098 119.118 120.200 0.027 0.000 2.110 244 E HA -0.263 4.087 4.350 -0.000 0.000 0.193 244 E C 2.237 178.855 176.600 0.031 0.000 0.988 244 E CA 1.361 57.773 56.400 0.021 0.000 0.804 244 E CB -0.719 28.992 29.700 0.018 0.000 0.745 244 E HN 0.675 nan 8.360 nan 0.000 0.458 245 H N 0.566 119.620 119.070 -0.026 0.000 2.353 245 H HA -0.016 4.540 4.556 -0.000 0.000 0.300 245 H C 1.813 177.124 175.328 -0.028 0.000 1.090 245 H CA 1.722 57.754 56.048 -0.026 0.000 1.327 245 H CB 0.179 29.922 29.762 -0.033 0.000 1.383 245 H HN 0.124 nan 8.280 nan 0.000 0.508 246 A N 1.151 124.050 122.820 0.131 0.000 1.873 246 A HA -0.076 4.244 4.320 -0.000 0.000 0.215 246 A C 2.900 180.482 177.584 -0.002 0.000 1.186 246 A CA 1.172 53.250 52.037 0.069 0.000 0.616 246 A CB -0.854 18.166 19.000 0.033 0.000 0.823 246 A HN 0.405 nan 8.150 nan 0.000 0.442 247 L N -0.659 120.556 121.223 -0.014 0.000 2.046 247 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 247 L C 3.044 179.888 176.870 -0.044 0.000 1.077 247 L CA 1.056 55.879 54.840 -0.027 0.000 0.747 247 L CB -0.582 41.463 42.059 -0.023 0.000 0.896 247 L HN 0.431 nan 8.230 nan 0.000 0.432 248 A N 0.899 123.677 122.820 -0.069 0.000 2.024 248 A HA -0.196 4.124 4.320 -0.000 0.000 0.220 248 A C 2.226 179.749 177.584 -0.103 0.000 1.164 248 A CA 1.717 53.697 52.037 -0.096 0.000 0.643 248 A CB -0.516 18.399 19.000 -0.142 0.000 0.806 248 A HN 0.597 nan 8.150 nan 0.000 0.451 249 R N -1.481 118.956 120.500 -0.106 0.000 2.393 249 R HA 0.365 4.705 4.340 -0.000 0.000 0.244 249 R C 0.906 177.187 176.300 -0.031 0.000 0.920 249 R CA 0.605 56.660 56.100 -0.074 0.000 1.076 249 R CB -0.603 29.649 30.300 -0.080 0.000 1.119 249 R HN 0.700 nan 8.270 nan 0.000 0.524 250 G N 0.922 109.705 108.800 -0.028 0.000 2.221 250 G HA2 -0.332 3.627 3.960 -0.000 0.000 0.265 250 G HA3 -0.332 3.627 3.960 -0.000 0.000 0.265 250 G C 0.322 175.223 174.900 0.002 0.000 1.041 250 G CA 0.199 45.291 45.100 -0.013 0.000 0.807 250 G HN 0.717 nan 8.290 nan 0.000 0.502 251 A N -0.397 122.425 122.820 0.002 0.000 2.425 251 A HA 0.539 4.859 4.320 -0.000 0.000 0.242 251 A C 0.434 178.025 177.584 0.012 0.000 1.077 251 A CA 0.458 52.506 52.037 0.018 0.000 0.781 251 A CB 0.262 19.272 19.000 0.016 0.000 1.020 251 A HN 1.421 nan 8.150 nan 0.000 0.494 252 H N 1.160 120.185 119.070 -0.076 0.000 2.705 252 H HA 0.505 5.061 4.556 -0.000 0.000 0.291 252 H C -0.662 174.565 175.328 -0.167 0.000 1.085 252 H CA -0.449 55.509 56.048 -0.150 0.000 1.357 252 H CB -0.038 29.597 29.762 -0.212 0.000 1.419 252 H HN 0.424 nan 8.280 nan 0.000 0.462 253 I N 7.046 127.273 120.570 -0.571 0.000 2.304 253 I HA 0.009 4.179 4.170 -0.000 0.000 0.291 253 I C 0.155 175.940 176.117 -0.554 0.000 1.018 253 I CA -0.389 60.666 61.300 -0.407 0.000 1.260 253 I CB 0.811 38.694 38.000 -0.195 0.000 1.390 253 I HN 0.747 nan 8.210 nan 0.000 0.475 254 Y N 5.223 125.306 120.300 -0.361 0.000 2.184 254 Y HA 0.188 4.738 4.550 -0.000 0.000 0.290 254 Y C 1.258 177.070 175.900 -0.147 0.000 1.129 254 Y CA 1.039 58.997 58.100 -0.237 0.000 1.144 254 Y CB 0.161 38.552 38.460 -0.115 0.000 0.995 254 Y HN 0.680 nan 8.280 nan 0.000 0.513 255 A N -0.865 121.988 122.820 0.055 0.000 2.544 255 A HA 0.398 4.718 4.320 -0.000 0.000 0.291 255 A C -1.513 176.068 177.584 -0.005 0.000 1.055 255 A CA -0.839 51.206 52.037 0.013 0.000 0.651 255 A CB 0.680 19.697 19.000 0.027 0.000 1.296 255 A HN 0.058 nan 8.150 nan 0.000 0.431 256 E N 0.423 120.618 120.200 -0.009 0.000 2.191 256 E HA 0.597 4.947 4.350 -0.000 0.000 0.278 256 E C -1.138 175.458 176.600 -0.007 0.000 0.972 256 E CA -0.606 55.787 56.400 -0.012 0.000 0.804 256 E CB 0.899 30.592 29.700 -0.010 0.000 1.110 256 E HN 0.483 nan 8.360 nan 0.000 0.394 257 I N 5.930 126.492 120.570 -0.013 0.000 2.294 257 I HA 0.021 4.191 4.170 -0.000 0.000 0.295 257 I C 1.150 177.277 176.117 0.016 0.000 1.098 257 I CA -0.262 61.035 61.300 -0.004 0.000 1.277 257 I CB 0.726 38.711 38.000 -0.025 0.000 1.434 257 I HN 0.488 nan 8.210 nan 0.000 0.498 258 V N 2.597 122.527 119.914 0.026 0.000 3.608 258 V HA 0.448 4.568 4.120 -0.000 0.000 0.269 258 V C 0.769 176.895 176.094 0.054 0.000 1.245 258 V CA 0.248 62.567 62.300 0.033 0.000 1.138 258 V CB -0.246 31.591 31.823 0.023 0.000 0.841 258 V HN 0.698 nan 8.190 nan 0.000 0.451 259 G N -0.467 108.377 108.800 0.073 0.000 2.753 259 G HA2 0.531 4.491 3.960 -0.000 0.000 0.297 259 G HA3 0.531 4.491 3.960 -0.000 0.000 0.297 259 G C -2.265 172.736 174.900 0.169 0.000 1.430 259 G CA -0.548 44.612 45.100 0.101 0.000 1.040 259 G HN 0.316 nan 8.290 nan 0.000 0.530 260 Y N 1.537 121.851 120.300 0.022 0.000 2.315 260 Y HA 0.680 5.229 4.550 -0.000 0.000 0.324 260 Y C -0.116 175.806 175.900 0.036 0.000 1.062 260 Y CA -1.308 56.805 58.100 0.021 0.000 1.159 260 Y CB 1.673 40.147 38.460 0.024 0.000 1.145 260 Y HN 0.809 nan 8.280 nan 0.000 0.442 261 G N 3.169 111.854 108.800 -0.191 0.000 2.416 261 G HA2 0.735 4.695 3.960 -0.000 0.000 0.329 261 G HA3 0.735 4.695 3.960 -0.000 0.000 0.329 261 G C -1.608 173.082 174.900 -0.350 0.000 1.173 261 G CA -0.611 44.315 45.100 -0.291 0.000 0.929 261 G HN 1.143 nan 8.290 nan 0.000 0.475 262 A N 1.651 124.285 122.820 -0.309 0.000 2.476 262 A HA 0.819 5.139 4.320 -0.000 0.000 0.280 262 A C 0.012 177.591 177.584 -0.008 0.000 1.081 262 A CA -0.133 51.873 52.037 -0.052 0.000 0.753 262 A CB 1.109 20.061 19.000 -0.080 0.000 1.248 262 A HN 1.455 nan 8.150 nan 0.000 0.424 263 T N -1.418 113.181 114.554 0.075 0.000 2.831 263 T HA 0.863 5.213 4.350 -0.000 0.000 0.287 263 T C -0.205 174.538 174.700 0.071 0.000 1.070 263 T CA -0.602 61.523 62.100 0.042 0.000 1.010 263 T CB 1.804 70.686 68.868 0.022 0.000 1.264 263 T HN 1.227 nan 8.240 nan 0.000 0.532 264 S N -0.943 114.779 115.700 0.037 0.000 2.538 264 S HA 0.447 4.917 4.470 -0.000 0.000 0.288 264 S C -0.182 174.430 174.600 0.019 0.000 1.108 264 S CA -0.619 57.604 58.200 0.039 0.000 0.971 264 S CB 1.569 64.783 63.200 0.023 0.000 1.041 264 S HN 0.697 nan 8.310 nan 0.000 0.483 265 D N 2.908 123.320 120.400 0.021 0.000 2.137 265 D HA 0.152 4.792 4.640 -0.000 0.000 0.202 265 D C 1.494 177.795 176.300 0.001 0.000 0.970 265 D CA 1.529 55.529 54.000 0.000 0.000 0.837 265 D CB -0.485 40.314 40.800 -0.002 0.000 0.981 265 D HN 1.036 nan 8.370 nan 0.000 0.475 266 G N 0.098 108.905 108.800 0.011 0.000 2.305 266 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.287 266 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.287 266 G C 0.639 175.541 174.900 0.002 0.000 1.036 266 G CA 0.941 46.045 45.100 0.006 0.000 0.887 266 G HN 0.617 nan 8.290 nan 0.000 0.505 267 A N -0.883 121.939 122.820 0.004 0.000 1.795 267 A HA 0.683 5.002 4.320 -0.000 0.000 0.182 267 A C 0.475 178.060 177.584 0.001 0.000 2.073 267 A CA 1.098 53.135 52.037 -0.000 0.000 1.402 267 A CB 0.293 19.290 19.000 -0.005 0.000 0.977 267 A HN 0.523 nan 8.150 nan 0.000 0.648 268 D N -1.229 119.173 120.400 0.004 0.000 2.181 268 D HA 0.476 5.115 4.640 -0.000 0.000 0.248 268 D C 1.057 177.360 176.300 0.005 0.000 1.020 268 D CA -0.493 53.507 54.000 -0.000 0.000 0.891 268 D CB 0.853 41.653 40.800 -0.001 0.000 1.187 268 D HN 0.107 nan 8.370 nan 0.000 0.443 269 M N 2.168 121.755 119.600 -0.021 0.000 2.254 269 M HA -0.018 4.461 4.480 -0.000 0.000 0.265 269 M C 1.319 177.569 176.300 -0.083 0.000 1.066 269 M CA 1.080 56.359 55.300 -0.035 0.000 1.123 269 M CB -0.266 32.293 32.600 -0.067 0.000 1.388 269 M HN 0.522 nan 8.290 nan 0.000 0.425 270 V N -4.434 115.398 119.914 -0.136 0.000 3.382 270 V HA 0.573 4.692 4.120 -0.000 0.000 0.296 270 V C 0.449 176.565 176.094 0.036 0.000 1.529 270 V CA -0.129 62.012 62.300 -0.265 0.000 1.048 270 V CB -0.418 31.035 31.823 -0.615 0.000 0.878 270 V HN 0.117 nan 8.190 nan 0.000 0.442 271 A N 1.463 124.312 122.820 0.047 0.000 2.318 271 A HA 0.932 5.252 4.320 -0.000 0.000 0.317 271 A C -2.923 174.698 177.584 0.063 0.000 1.159 271 A CA -1.766 50.318 52.037 0.078 0.000 0.799 271 A CB 0.888 19.913 19.000 0.041 0.000 1.194 271 A HN 0.274 nan 8.150 nan 0.000 0.479 272 P HA 0.107 nan 4.420 nan 0.000 0.268 272 P C 0.874 178.148 177.300 -0.043 0.000 1.205 272 P CA 0.130 63.215 63.100 -0.024 0.000 0.771 272 P CB 1.085 32.737 31.700 -0.080 0.000 0.858 273 S N 1.406 117.065 115.700 -0.069 0.000 2.503 273 S HA 0.180 4.649 4.470 -0.000 0.000 0.217 273 S C 1.714 176.270 174.600 -0.074 0.000 0.999 273 S CA 0.630 58.798 58.200 -0.053 0.000 0.914 273 S CB -0.810 62.365 63.200 -0.042 0.000 0.782 273 S HN 0.676 nan 8.310 nan 0.000 0.520 274 G N 1.976 110.696 108.800 -0.134 0.000 2.458 274 G HA2 -0.409 3.551 3.960 -0.000 0.000 0.237 274 G HA3 -0.409 3.551 3.960 -0.000 0.000 0.237 274 G C 0.945 175.781 174.900 -0.108 0.000 1.113 274 G CA 0.612 45.631 45.100 -0.136 0.000 0.655 274 G HN 0.482 nan 8.290 nan 0.000 0.513 275 E N 1.636 121.790 120.200 -0.076 0.000 2.077 275 E HA -0.068 4.282 4.350 -0.000 0.000 0.193 275 E C 2.652 179.215 176.600 -0.061 0.000 0.989 275 E CA 2.176 58.542 56.400 -0.055 0.000 0.800 275 E CB -0.949 28.727 29.700 -0.040 0.000 0.746 275 E HN 0.634 nan 8.360 nan 0.000 0.452 276 G N 0.635 109.389 108.800 -0.077 0.000 2.408 276 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.217 276 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.217 276 G C 1.724 176.585 174.900 -0.065 0.000 1.150 276 G CA 1.119 46.183 45.100 -0.061 0.000 0.776 276 G HN 0.414 nan 8.290 nan 0.000 0.542 277 A N 0.221 122.943 122.820 -0.163 0.000 1.933 277 A HA 0.097 4.417 4.320 -0.000 0.000 0.218 277 A C 2.584 180.173 177.584 0.010 0.000 1.175 277 A CA 1.730 53.683 52.037 -0.141 0.000 0.628 277 A CB -0.518 18.211 19.000 -0.451 0.000 0.814 277 A HN 0.239 nan 8.150 nan 0.000 0.444 278 V N -0.015 119.882 119.914 -0.028 0.000 2.295 278 V HA -0.258 3.862 4.120 -0.000 0.000 0.246 278 V C 2.617 178.697 176.094 -0.024 0.000 1.049 278 V CA 2.202 64.492 62.300 -0.018 0.000 1.024 278 V CB -0.812 30.992 31.823 -0.032 0.000 0.648 278 V HN 0.518 nan 8.190 nan 0.000 0.447 279 R N -0.970 119.514 120.500 -0.026 0.000 2.096 279 R HA -0.183 4.157 4.340 -0.000 0.000 0.235 279 R C 2.411 178.699 176.300 -0.020 0.000 1.127 279 R CA 1.681 57.762 56.100 -0.031 0.000 0.968 279 R CB -0.870 29.409 30.300 -0.034 0.000 0.861 279 R HN 0.563 nan 8.270 nan 0.000 0.440 280 C N 0.715 120.025 119.300 0.016 0.000 2.432 280 C HA -0.059 4.401 4.460 -0.000 0.000 0.277 280 C C 2.603 177.613 174.990 0.033 0.000 1.249 280 C CA 0.831 59.873 59.018 0.040 0.000 1.725 280 C CB -0.649 27.172 27.740 0.136 0.000 2.028 280 C HN 0.459 nan 8.230 nan 0.000 0.477 281 M N 0.008 119.639 119.600 0.051 0.000 2.175 281 M HA -0.130 4.350 4.480 -0.000 0.000 0.264 281 M C 2.281 178.559 176.300 -0.036 0.000 1.063 281 M CA 1.693 57.010 55.300 0.028 0.000 1.119 281 M CB -0.413 32.213 32.600 0.044 0.000 1.377 281 M HN 0.376 nan 8.290 nan 0.000 0.415 282 K N 0.089 120.454 120.400 -0.058 0.000 2.057 282 K HA -0.140 4.180 4.320 -0.000 0.000 0.206 282 K C 2.007 178.596 176.600 -0.018 0.000 1.050 282 K CA 1.387 57.635 56.287 -0.065 0.000 0.935 282 K CB -0.222 32.239 32.500 -0.066 0.000 0.715 282 K HN 0.335 nan 8.250 nan 0.000 0.439 283 M N 0.617 120.198 119.600 -0.033 0.000 2.108 283 M HA -0.188 4.291 4.480 -0.000 0.000 0.261 283 M C 2.092 178.397 176.300 0.010 0.000 1.066 283 M CA 1.848 57.124 55.300 -0.040 0.000 1.107 283 M CB -0.115 32.434 32.600 -0.084 0.000 1.356 283 M HN 0.175 nan 8.290 nan 0.000 0.406 284 A N 0.058 122.882 122.820 0.006 0.000 2.015 284 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 284 A C 1.889 179.504 177.584 0.053 0.000 1.163 284 A CA 1.504 53.562 52.037 0.036 0.000 0.646 284 A CB -0.585 18.441 19.000 0.044 0.000 0.806 284 A HN 0.662 nan 8.150 nan 0.000 0.448 285 M N -1.386 118.237 119.600 0.038 0.000 2.502 285 M HA 0.075 4.555 4.480 -0.000 0.000 0.243 285 M C 0.466 176.790 176.300 0.041 0.000 1.130 285 M CA -0.051 55.265 55.300 0.026 0.000 1.055 285 M CB -0.021 32.562 32.600 -0.029 0.000 1.457 285 M HN 0.462 nan 8.290 nan 0.000 0.488 286 H N 0.547 119.600 119.070 -0.028 0.000 3.091 286 H HA 0.224 4.780 4.556 -0.000 0.000 0.289 286 H C 1.100 176.422 175.328 -0.010 0.000 0.995 286 H CA 1.666 57.700 56.048 -0.024 0.000 1.461 286 H CB 0.108 29.854 29.762 -0.026 0.000 1.510 286 H HN 0.462 nan 8.280 nan 0.000 0.546 287 G N 3.083 111.692 108.800 -0.318 0.000 2.234 287 G HA2 -0.269 3.690 3.960 -0.000 0.000 0.235 287 G HA3 -0.269 3.690 3.960 -0.000 0.000 0.235 287 G C -0.008 174.838 174.900 -0.090 0.000 0.997 287 G CA 0.078 45.055 45.100 -0.205 0.000 0.623 287 G HN 0.669 nan 8.290 nan 0.000 0.514 288 V N 2.971 122.854 119.914 -0.051 0.000 2.415 288 V HA 0.351 4.471 4.120 -0.000 0.000 0.267 288 V C 1.165 177.247 176.094 -0.021 0.000 1.042 288 V CA 0.721 63.011 62.300 -0.016 0.000 1.000 288 V CB 1.055 32.885 31.823 0.012 0.000 1.015 288 V HN 0.538 nan 8.190 nan 0.000 0.478 289 D N 2.258 122.647 120.400 -0.018 0.000 2.328 289 D HA 0.004 4.644 4.640 -0.000 0.000 0.226 289 D C 0.772 177.073 176.300 0.002 0.000 1.066 289 D CA 0.107 54.098 54.000 -0.015 0.000 0.861 289 D CB -0.073 40.716 40.800 -0.018 0.000 0.912 289 D HN 0.611 nan 8.370 nan 0.000 0.521 290 T N -2.665 111.898 114.554 0.014 0.000 2.908 290 T HA 0.602 4.952 4.350 -0.000 0.000 0.290 290 T C -2.767 171.962 174.700 0.047 0.000 1.034 290 T CA -1.878 60.237 62.100 0.026 0.000 1.010 290 T CB 2.316 71.198 68.868 0.023 0.000 1.068 290 T HN -0.159 nan 8.240 nan 0.000 0.481 291 P HA 0.365 nan 4.420 nan 0.000 0.277 291 P C -0.486 176.865 177.300 0.085 0.000 1.240 291 P CA -0.719 62.433 63.100 0.087 0.000 0.798 291 P CB 0.632 32.373 31.700 0.069 0.000 0.979 292 I N 3.132 123.777 120.570 0.124 0.000 2.436 292 I HA 0.002 4.172 4.170 -0.000 0.000 0.289 292 I C 1.292 177.399 176.117 -0.017 0.000 1.083 292 I CA 0.383 61.720 61.300 0.062 0.000 1.372 292 I CB -0.118 37.928 38.000 0.077 0.000 1.408 292 I HN 0.320 nan 8.210 nan 0.000 0.516 293 D N 5.155 125.564 120.400 0.015 0.000 2.213 293 D HA -0.094 4.545 4.640 -0.000 0.000 0.205 293 D C 0.089 176.428 176.300 0.066 0.000 0.961 293 D CA 1.392 55.407 54.000 0.027 0.000 0.853 293 D CB 0.354 41.181 40.800 0.045 0.000 0.967 293 D HN 0.531 nan 8.370 nan 0.000 0.496 294 Y N 0.185 120.436 120.300 -0.083 0.000 2.479 294 Y HA 0.456 5.006 4.550 -0.000 0.000 0.338 294 Y C -2.039 173.807 175.900 -0.090 0.000 1.055 294 Y CA -1.150 56.892 58.100 -0.096 0.000 1.023 294 Y CB 1.341 39.745 38.460 -0.094 0.000 1.287 294 Y HN -0.225 nan 8.280 nan 0.000 0.447 295 L N 7.038 127.634 121.223 -1.045 0.000 2.376 295 L HA 0.518 4.858 4.340 -0.000 0.000 0.275 295 L C -1.292 174.954 176.870 -1.041 0.000 0.987 295 L CA -0.563 53.792 54.840 -0.809 0.000 0.828 295 L CB 1.111 42.909 42.059 -0.436 0.000 1.249 295 L HN 0.810 nan 8.230 nan 0.000 0.409 296 N N 3.626 121.901 118.700 -0.709 0.000 2.500 296 N HA 0.158 4.897 4.740 -0.000 0.000 0.236 296 N C -0.398 175.004 175.510 -0.179 0.000 1.022 296 N CA -0.198 52.662 53.050 -0.317 0.000 0.935 296 N CB 1.090 39.557 38.487 -0.034 0.000 1.147 296 N HN 0.751 nan 8.380 nan 0.000 0.512 297 S N 2.706 118.344 115.700 -0.105 0.000 2.624 297 S HA 0.022 4.492 4.470 -0.000 0.000 0.263 297 S C 1.240 175.789 174.600 -0.085 0.000 1.287 297 S CA -0.347 57.829 58.200 -0.041 0.000 0.990 297 S CB 1.455 64.721 63.200 0.109 0.000 0.950 297 S HN 0.631 nan 8.310 nan 0.000 0.561 298 Q N 1.635 121.379 119.800 -0.095 0.000 2.046 298 Q HA 0.134 4.474 4.340 -0.000 0.000 0.200 298 Q C 1.355 177.266 176.000 -0.148 0.000 0.975 298 Q CA 1.475 57.176 55.803 -0.171 0.000 0.836 298 Q CB -1.331 27.346 28.738 -0.101 0.000 0.896 298 Q HN 1.276 nan 8.270 nan 0.000 0.428 299 G N 0.928 109.684 108.800 -0.073 0.000 2.072 299 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.242 299 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.242 299 G C 0.558 175.327 174.900 -0.219 0.000 0.694 299 G CA 0.787 45.762 45.100 -0.209 0.000 1.084 299 G HN 0.604 nan 8.290 nan 0.000 0.350 300 T N -1.754 112.716 114.554 -0.139 0.000 3.088 300 T HA 0.334 4.684 4.350 -0.000 0.000 0.259 300 T C 1.403 176.125 174.700 0.036 0.000 1.122 300 T CA 1.108 63.157 62.100 -0.085 0.000 1.095 300 T CB 0.245 69.106 68.868 -0.011 0.000 0.930 300 T HN 1.860 nan 8.240 nan 0.000 0.508 301 S N 0.695 116.373 115.700 -0.037 0.000 3.619 301 S HA -0.127 4.343 4.470 -0.000 0.000 0.287 301 S C 0.198 174.847 174.600 0.083 0.000 1.222 301 S CA 0.559 58.752 58.200 -0.012 0.000 0.821 301 S CB -2.169 61.041 63.200 0.017 0.000 0.985 301 S HN 1.251 nan 8.310 nan 0.000 0.611 302 T N -1.102 113.516 114.554 0.105 0.000 2.925 302 T HA 0.695 5.045 4.350 -0.000 0.000 0.285 302 T C -1.464 173.301 174.700 0.109 0.000 1.021 302 T CA -1.585 60.605 62.100 0.149 0.000 1.042 302 T CB 1.634 70.632 68.868 0.217 0.000 1.037 302 T HN -0.057 nan 8.240 nan 0.000 0.481 303 P HA -0.133 nan 4.420 nan 0.000 0.212 303 P C 1.649 179.001 177.300 0.087 0.000 1.178 303 P CA 0.782 63.933 63.100 0.085 0.000 0.915 303 P CB -0.064 31.682 31.700 0.076 0.000 0.788 304 V N -0.676 119.294 119.914 0.093 0.000 2.488 304 V HA -0.057 4.063 4.120 -0.000 0.000 0.246 304 V C 2.556 178.709 176.094 0.097 0.000 1.046 304 V CA 2.190 64.542 62.300 0.086 0.000 1.053 304 V CB -1.914 29.958 31.823 0.081 0.000 0.679 304 V HN 0.179 nan 8.190 nan 0.000 0.458 305 G N 0.404 109.275 108.800 0.119 0.000 2.514 305 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.217 305 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.217 305 G C 1.172 176.146 174.900 0.123 0.000 1.198 305 G CA 1.321 46.497 45.100 0.127 0.000 0.780 305 G HN 0.495 nan 8.290 nan 0.000 0.565 306 D N 0.034 120.498 120.400 0.108 0.000 2.116 306 D HA -0.112 4.528 4.640 -0.000 0.000 0.193 306 D C 2.726 179.156 176.300 0.217 0.000 0.998 306 D CA 0.948 55.032 54.000 0.141 0.000 0.836 306 D CB -0.624 40.220 40.800 0.073 0.000 0.951 306 D HN 0.204 nan 8.370 nan 0.000 0.449 307 V N 1.023 121.029 119.914 0.153 0.000 2.261 307 V HA -0.221 3.898 4.120 -0.000 0.000 0.246 307 V C 2.394 178.546 176.094 0.096 0.000 1.047 307 V CA 1.462 63.835 62.300 0.121 0.000 1.015 307 V CB -0.310 31.565 31.823 0.086 0.000 0.642 307 V HN 0.141 nan 8.190 nan 0.000 0.446 308 K N 0.039 120.486 120.400 0.078 0.000 2.032 308 K HA -0.255 4.065 4.320 -0.000 0.000 0.209 308 K C 2.144 178.771 176.600 0.045 0.000 1.048 308 K CA 2.050 58.362 56.287 0.041 0.000 0.927 308 K CB -0.461 32.048 32.500 0.014 0.000 0.712 308 K HN 0.676 nan 8.250 nan 0.000 0.441 309 E N 0.857 121.114 120.200 0.094 0.000 2.077 309 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 309 E C 2.154 178.839 176.600 0.142 0.000 0.989 309 E CA 0.823 57.312 56.400 0.147 0.000 0.800 309 E CB -0.042 29.823 29.700 0.274 0.000 0.746 309 E HN 0.184 nan 8.360 nan 0.000 0.452 310 L N 0.373 121.679 121.223 0.138 0.000 2.046 310 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 310 L C 2.708 179.615 176.870 0.061 0.000 1.077 310 L CA 1.028 55.917 54.840 0.082 0.000 0.747 310 L CB -0.535 41.554 42.059 0.050 0.000 0.896 310 L HN 0.250 nan 8.230 nan 0.000 0.432 311 A N 0.107 122.961 122.820 0.056 0.000 1.902 311 A HA -0.175 4.144 4.320 -0.000 0.000 0.217 311 A C 2.538 180.148 177.584 0.043 0.000 1.181 311 A CA 1.766 53.827 52.037 0.040 0.000 0.623 311 A CB -0.671 18.346 19.000 0.029 0.000 0.818 311 A HN 0.404 nan 8.150 nan 0.000 0.443 312 A N -0.055 122.792 122.820 0.045 0.000 1.902 312 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 312 A C 2.108 179.747 177.584 0.093 0.000 1.181 312 A CA 1.474 53.538 52.037 0.044 0.000 0.623 312 A CB -0.606 18.408 19.000 0.022 0.000 0.818 312 A HN 0.502 nan 8.150 nan 0.000 0.443 313 I N -1.240 119.412 120.570 0.138 0.000 2.226 313 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 313 I C 2.744 179.001 176.117 0.234 0.000 1.100 313 I CA 1.396 62.835 61.300 0.232 0.000 1.374 313 I CB -0.281 37.815 38.000 0.160 0.000 1.057 313 I HN 0.184 nan 8.210 nan 0.000 0.413 314 R N 0.904 121.478 120.500 0.124 0.000 2.080 314 R HA -0.230 4.110 4.340 -0.000 0.000 0.236 314 R C 2.143 178.496 176.300 0.088 0.000 1.137 314 R CA 1.680 57.838 56.100 0.096 0.000 0.943 314 R CB -0.575 29.756 30.300 0.051 0.000 0.846 314 R HN 0.333 nan 8.270 nan 0.000 0.431 315 E N -0.353 119.881 120.200 0.057 0.000 2.058 315 E HA -0.158 4.191 4.350 -0.000 0.000 0.194 315 E C 1.722 178.316 176.600 -0.010 0.000 0.997 315 E CA 1.828 58.240 56.400 0.020 0.000 0.801 315 E CB -0.121 29.583 29.700 0.006 0.000 0.746 315 E HN 0.117 nan 8.360 nan 0.000 0.450 316 V N -0.322 119.574 119.914 -0.030 0.000 2.270 316 V HA -0.179 3.941 4.120 -0.000 0.000 0.245 316 V C 1.905 177.809 176.094 -0.318 0.000 1.043 316 V CA 1.933 64.106 62.300 -0.212 0.000 1.014 316 V CB -0.543 31.069 31.823 -0.351 0.000 0.645 316 V HN 0.286 nan 8.190 nan 0.000 0.447 317 F N 0.168 120.119 119.950 0.001 0.000 2.754 317 F HA 0.429 4.956 4.527 -0.000 0.000 0.297 317 F C 1.927 177.725 175.800 -0.003 0.000 1.122 317 F CA 0.597 58.596 58.000 -0.002 0.000 1.400 317 F CB -0.694 38.302 39.000 -0.007 0.000 1.117 317 F HN 0.270 nan 8.300 nan 0.000 0.587 318 G N 1.741 110.620 108.800 0.133 0.000 2.672 318 G HA2 -0.459 3.501 3.960 -0.000 0.000 0.332 318 G HA3 -0.459 3.501 3.960 -0.000 0.000 0.332 318 G C 1.002 175.952 174.900 0.084 0.000 1.213 318 G CA 0.948 46.096 45.100 0.080 0.000 0.980 318 G HN 0.419 nan 8.290 nan 0.000 0.548 319 D N 0.762 121.203 120.400 0.068 0.000 2.349 319 D HA 0.164 4.804 4.640 -0.000 0.000 0.214 319 D C 1.023 177.359 176.300 0.060 0.000 1.063 319 D CA 0.548 54.579 54.000 0.052 0.000 0.847 319 D CB 0.260 41.080 40.800 0.034 0.000 0.933 319 D HN 0.387 nan 8.370 nan 0.000 0.513 320 K N 1.124 121.586 120.400 0.103 0.000 3.147 320 K HA 0.152 4.472 4.320 -0.000 0.000 0.214 320 K C -0.254 176.407 176.600 0.102 0.000 1.221 320 K CA -0.338 56.012 56.287 0.105 0.000 1.117 320 K CB 1.055 33.636 32.500 0.135 0.000 1.278 320 K HN 0.081 nan 8.250 nan 0.000 0.479 321 S N 0.970 116.681 115.700 0.019 0.000 2.549 321 S HA 0.321 4.790 4.470 -0.000 0.000 0.283 321 S C -1.635 172.811 174.600 -0.257 0.000 1.320 321 S CA -1.015 57.096 58.200 -0.148 0.000 1.058 321 S CB 0.228 63.373 63.200 -0.092 0.000 0.882 321 S HN 0.170 nan 8.310 nan 0.000 0.498 322 P HA 0.446 nan 4.420 nan 0.000 0.280 322 P C -0.639 176.519 177.300 -0.237 0.000 1.272 322 P CA -0.759 62.128 63.100 -0.356 0.000 0.819 322 P CB 0.841 32.225 31.700 -0.526 0.000 1.122 323 A N 1.410 124.159 122.820 -0.118 0.000 2.511 323 A HA 0.410 4.729 4.320 -0.000 0.000 0.242 323 A C 0.259 177.811 177.584 -0.053 0.000 1.069 323 A CA 0.079 52.099 52.037 -0.028 0.000 0.763 323 A CB -0.764 18.280 19.000 0.075 0.000 1.001 323 A HN 0.473 nan 8.150 nan 0.000 0.498 324 I N 1.522 122.069 120.570 -0.039 0.000 2.647 324 I HA 0.549 4.719 4.170 -0.000 0.000 0.295 324 I C 0.043 176.212 176.117 0.087 0.000 1.078 324 I CA -0.250 61.003 61.300 -0.077 0.000 1.048 324 I CB 2.585 40.499 38.000 -0.144 0.000 1.239 324 I HN 0.777 nan 8.210 nan 0.000 0.421 325 S N 3.624 119.424 115.700 0.166 0.000 2.537 325 S HA 0.838 5.307 4.470 -0.000 0.000 0.270 325 S C -1.112 173.615 174.600 0.211 0.000 1.142 325 S CA -0.779 57.564 58.200 0.239 0.000 0.870 325 S CB 1.981 65.345 63.200 0.274 0.000 1.112 325 S HN 0.800 nan 8.310 nan 0.000 0.466 326 A N 2.225 125.161 122.820 0.193 0.000 2.322 326 A HA 0.592 4.912 4.320 -0.000 0.000 0.327 326 A C 1.160 178.758 177.584 0.024 0.000 1.394 326 A CA -0.211 51.872 52.037 0.077 0.000 0.921 326 A CB -0.188 18.784 19.000 -0.047 0.000 1.153 326 A HN 1.349 nan 8.150 nan 0.000 0.523 327 T N 0.031 114.600 114.554 0.025 0.000 3.007 327 T HA -0.115 4.235 4.350 -0.000 0.000 0.270 327 T C 1.365 176.027 174.700 -0.064 0.000 1.107 327 T CA 1.327 63.402 62.100 -0.042 0.000 1.118 327 T CB -0.304 68.518 68.868 -0.077 0.000 0.889 327 T HN 0.634 nan 8.240 nan 0.000 0.506 328 K N 1.204 121.570 120.400 -0.056 0.000 2.280 328 K HA 0.159 4.479 4.320 -0.000 0.000 0.202 328 K C 2.654 179.227 176.600 -0.044 0.000 1.047 328 K CA 0.860 57.109 56.287 -0.063 0.000 0.942 328 K CB -0.366 32.057 32.500 -0.128 0.000 0.739 328 K HN 0.483 nan 8.250 nan 0.000 0.457 329 A N 1.818 124.606 122.820 -0.054 0.000 1.978 329 A HA -0.187 4.133 4.320 -0.000 0.000 0.220 329 A C 2.099 179.664 177.584 -0.031 0.000 1.170 329 A CA 1.778 53.790 52.037 -0.043 0.000 0.636 329 A CB -0.458 18.520 19.000 -0.037 0.000 0.810 329 A HN 0.434 nan 8.150 nan 0.000 0.448 330 M N -2.334 117.240 119.600 -0.044 0.000 2.567 330 M HA 0.099 4.579 4.480 -0.000 0.000 0.261 330 M C 1.736 178.014 176.300 -0.036 0.000 1.180 330 M CA 1.516 56.791 55.300 -0.042 0.000 1.143 330 M CB -0.449 32.114 32.600 -0.062 0.000 1.319 330 M HN 0.264 nan 8.290 nan 0.000 0.490 331 T N -1.787 112.740 114.554 -0.045 0.000 3.037 331 T HA 0.525 4.875 4.350 -0.000 0.000 0.252 331 T C 1.105 175.825 174.700 0.034 0.000 1.073 331 T CA 0.539 62.631 62.100 -0.014 0.000 1.091 331 T CB -0.256 68.609 68.868 -0.004 0.000 0.935 331 T HN 0.798 nan 8.240 nan 0.000 0.488 332 G N 0.989 109.817 108.800 0.047 0.000 2.757 332 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.638 332 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.638 332 G C -0.938 174.026 174.900 0.106 0.000 1.344 332 G CA -0.402 44.762 45.100 0.107 0.000 0.855 332 G HN 0.765 nan 8.290 nan 0.000 0.537 333 H N 0.883 119.977 119.070 0.039 0.000 2.641 333 H HA 0.575 5.131 4.556 -0.000 0.000 0.295 333 H C 1.667 176.928 175.328 -0.112 0.000 1.070 333 H CA 0.034 56.016 56.048 -0.110 0.000 1.257 333 H CB 0.683 30.223 29.762 -0.370 0.000 1.393 333 H HN 0.804 nan 8.280 nan 0.000 0.464 334 S N 4.825 120.641 115.700 0.194 0.000 2.701 334 S HA 0.093 4.563 4.470 -0.000 0.000 0.220 334 S C 1.379 175.988 174.600 0.015 0.000 0.954 334 S CA -0.008 58.230 58.200 0.063 0.000 0.936 334 S CB -0.544 62.666 63.200 0.017 0.000 0.777 334 S HN 0.715 nan 8.310 nan 0.000 0.518 335 L N -0.102 121.103 121.223 -0.029 0.000 5.154 335 L HA -0.355 3.985 4.340 -0.000 0.000 0.053 335 L C 2.267 179.110 176.870 -0.046 0.000 3.137 335 L CA 1.437 56.133 54.840 -0.241 0.000 1.466 335 L CB -2.094 39.794 42.059 -0.285 0.000 2.980 335 L HN 0.424 nan 8.230 nan 0.000 0.938 336 G N -1.034 107.747 108.800 -0.032 0.000 2.462 336 G HA2 0.001 3.960 3.960 -0.000 0.000 0.220 336 G HA3 0.001 3.960 3.960 -0.000 0.000 0.220 336 G C 1.274 176.174 174.900 -0.000 0.000 1.121 336 G CA 1.377 46.480 45.100 0.003 0.000 0.758 336 G HN 0.869 nan 8.290 nan 0.000 0.559 337 A N 0.317 123.136 122.820 -0.003 0.000 2.238 337 A HA 0.642 4.962 4.320 -0.000 0.000 0.210 337 A C 2.558 180.106 177.584 -0.061 0.000 1.179 337 A CA 1.281 53.305 52.037 -0.023 0.000 0.827 337 A CB -0.219 18.776 19.000 -0.009 0.000 0.856 337 A HN 0.546 nan 8.150 nan 0.000 0.488 338 A N 0.132 122.928 122.820 -0.039 0.000 1.908 338 A HA 0.079 4.399 4.320 -0.000 0.000 0.218 338 A C 2.337 179.835 177.584 -0.142 0.000 1.181 338 A CA 1.911 53.901 52.037 -0.078 0.000 0.627 338 A CB -1.285 17.681 19.000 -0.056 0.000 0.818 338 A HN 0.670 nan 8.150 nan 0.000 0.445 339 G N -0.824 107.899 108.800 -0.128 0.000 2.459 339 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.217 339 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.217 339 G C 1.663 176.458 174.900 -0.175 0.000 1.183 339 G CA 1.393 46.400 45.100 -0.155 0.000 0.776 339 G HN 0.618 nan 8.290 nan 0.000 0.552 340 V N 0.123 119.940 119.914 -0.162 0.000 2.453 340 V HA -0.096 4.023 4.120 -0.000 0.000 0.247 340 V C 2.731 178.658 176.094 -0.279 0.000 1.048 340 V CA 2.417 64.606 62.300 -0.186 0.000 1.049 340 V CB -0.233 31.505 31.823 -0.140 0.000 0.672 340 V HN 0.515 nan 8.190 nan 0.000 0.457 341 Q N -0.437 119.165 119.800 -0.331 0.000 2.124 341 Q HA -0.247 4.093 4.340 -0.000 0.000 0.202 341 Q C 2.146 177.520 176.000 -1.044 0.000 0.977 341 Q CA 2.097 57.537 55.803 -0.605 0.000 0.850 341 Q CB -0.112 28.344 28.738 -0.470 0.000 0.901 341 Q HN 0.706 nan 8.270 nan 0.000 0.429 342 E N 0.274 120.118 120.200 -0.593 0.000 2.208 342 E HA -0.092 4.257 4.350 -0.000 0.000 0.193 342 E C 1.823 178.290 176.600 -0.222 0.000 0.988 342 E CA 0.679 56.874 56.400 -0.342 0.000 0.828 342 E CB 0.027 29.663 29.700 -0.107 0.000 0.763 342 E HN 0.333 nan 8.360 nan 0.000 0.478 343 A N 0.819 123.493 122.820 -0.243 0.000 1.930 343 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 343 A C 2.099 179.576 177.584 -0.178 0.000 1.175 343 A CA 0.872 52.808 52.037 -0.168 0.000 0.627 343 A CB -0.387 18.512 19.000 -0.167 0.000 0.815 343 A HN 0.152 nan 8.150 nan 0.000 0.443 344 I N -1.457 118.946 120.570 -0.279 0.000 2.315 344 I HA -0.232 3.938 4.170 -0.000 0.000 0.248 344 I C 2.201 178.258 176.117 -0.101 0.000 1.117 344 I CA 1.048 62.200 61.300 -0.245 0.000 1.404 344 I CB -0.349 37.475 38.000 -0.293 0.000 1.071 344 I HN 0.365 nan 8.210 nan 0.000 0.419 345 Y N 0.695 120.965 120.300 -0.050 0.000 2.200 345 Y HA -0.171 4.379 4.550 -0.000 0.000 0.290 345 Y C 2.920 178.786 175.900 -0.056 0.000 1.137 345 Y CA 0.739 58.820 58.100 -0.032 0.000 1.163 345 Y CB -1.281 37.167 38.460 -0.019 0.000 0.988 345 Y HN 0.088 nan 8.280 nan 0.000 0.518 346 S N 0.054 115.826 115.700 0.120 0.000 2.383 346 S HA -0.116 4.354 4.470 -0.000 0.000 0.227 346 S C 2.138 176.745 174.600 0.013 0.000 1.026 346 S CA 0.992 59.246 58.200 0.091 0.000 0.981 346 S CB -0.569 62.703 63.200 0.120 0.000 0.818 346 S HN 0.351 nan 8.310 nan 0.000 0.472 347 L N 0.930 122.143 121.223 -0.017 0.000 2.141 347 L HA -0.035 4.305 4.340 -0.000 0.000 0.209 347 L C 2.138 179.033 176.870 0.043 0.000 1.094 347 L CA 0.872 55.693 54.840 -0.031 0.000 0.763 347 L CB -0.481 41.476 42.059 -0.171 0.000 0.908 347 L HN 0.296 nan 8.230 nan 0.000 0.437 348 L N -1.167 120.104 121.223 0.080 0.000 2.109 348 L HA -0.193 4.147 4.340 -0.000 0.000 0.207 348 L C 2.619 179.620 176.870 0.218 0.000 1.086 348 L CA 1.170 56.168 54.840 0.263 0.000 0.760 348 L CB -0.318 41.923 42.059 0.303 0.000 0.910 348 L HN 0.297 nan 8.230 nan 0.000 0.437 349 M N -0.743 118.771 119.600 -0.143 0.000 2.117 349 M HA -0.231 4.249 4.480 -0.000 0.000 0.262 349 M C 2.299 178.477 176.300 -0.205 0.000 1.065 349 M CA 1.622 56.574 55.300 -0.580 0.000 1.114 349 M CB -0.289 31.809 32.600 -0.836 0.000 1.361 349 M HN 0.211 nan 8.290 nan 0.000 0.408 350 L N 0.490 121.667 121.223 -0.078 0.000 2.056 350 L HA -0.157 4.183 4.340 -0.000 0.000 0.207 350 L C 2.230 179.117 176.870 0.028 0.000 1.078 350 L CA 1.961 56.794 54.840 -0.011 0.000 0.749 350 L CB -0.533 41.537 42.059 0.019 0.000 0.901 350 L HN 0.210 nan 8.230 nan 0.000 0.433 351 E N -1.300 118.937 120.200 0.061 0.000 2.106 351 E HA -0.199 4.151 4.350 -0.000 0.000 0.192 351 E C 1.783 178.283 176.600 -0.166 0.000 0.984 351 E CA 1.490 57.880 56.400 -0.016 0.000 0.806 351 E CB -0.108 29.629 29.700 0.061 0.000 0.750 351 E HN 0.625 nan 8.360 nan 0.000 0.458 352 H N -1.211 117.978 119.070 0.197 0.000 2.586 352 H HA 0.280 4.835 4.556 -0.000 0.000 0.273 352 H C 0.522 175.996 175.328 0.243 0.000 0.997 352 H CA 0.562 56.747 56.048 0.229 0.000 1.177 352 H CB 0.621 30.568 29.762 0.309 0.000 1.471 352 H HN 0.268 nan 8.280 nan 0.000 0.538 353 G N 1.987 110.928 108.800 0.235 0.000 2.370 353 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.295 353 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.295 353 G C -0.252 174.796 174.900 0.246 0.000 1.045 353 G CA 0.698 45.894 45.100 0.160 0.000 1.199 353 G HN 0.520 nan 8.290 nan 0.000 0.513 354 F N -1.620 118.316 119.950 -0.024 0.000 2.741 354 F HA 0.802 5.329 4.527 -0.000 0.000 0.311 354 F C -0.990 174.713 175.800 -0.161 0.000 1.149 354 F CA -2.173 55.788 58.000 -0.065 0.000 0.930 354 F CB 1.123 40.097 39.000 -0.043 0.000 1.312 354 F HN 0.090 nan 8.300 nan 0.000 0.450 355 I N 2.739 123.169 120.570 -0.233 0.000 2.389 355 I HA 0.620 4.790 4.170 -0.000 0.000 0.288 355 I C 0.093 176.095 176.117 -0.192 0.000 0.999 355 I CA -1.102 59.903 61.300 -0.492 0.000 1.129 355 I CB 1.699 39.526 38.000 -0.289 0.000 1.288 355 I HN 0.970 nan 8.210 nan 0.000 0.444 356 A N 9.201 131.821 122.820 -0.334 0.000 2.462 356 A HA 0.487 4.807 4.320 -0.000 0.000 0.243 356 A C -2.341 175.247 177.584 0.007 0.000 1.076 356 A CA -0.990 51.049 52.037 0.003 0.000 0.773 356 A CB -0.316 18.653 19.000 -0.052 0.000 1.010 356 A HN 0.428 nan 8.150 nan 0.000 0.493 357 P HA 0.148 nan 4.420 nan 0.000 0.277 357 P C -0.391 176.937 177.300 0.048 0.000 1.240 357 P CA -0.271 62.855 63.100 0.044 0.000 0.798 357 P CB 1.250 32.971 31.700 0.035 0.000 0.979 358 S N 2.318 118.061 115.700 0.072 0.000 2.464 358 S HA 0.372 4.841 4.470 -0.000 0.000 0.313 358 S C 0.635 175.273 174.600 0.064 0.000 1.078 358 S CA -0.805 57.450 58.200 0.092 0.000 1.096 358 S CB -1.373 61.928 63.200 0.168 0.000 1.032 358 S HN 0.333 nan 8.310 nan 0.000 0.498 359 I N 1.972 122.559 120.570 0.030 0.000 3.276 359 I HA 0.467 4.637 4.170 -0.000 0.000 0.306 359 I C 0.518 176.638 176.117 0.006 0.000 1.060 359 I CA -0.571 60.738 61.300 0.014 0.000 1.133 359 I CB 0.149 38.147 38.000 -0.004 0.000 1.473 359 I HN 0.754 nan 8.210 nan 0.000 0.649 360 N N 0.203 118.899 118.700 -0.007 0.000 2.741 360 N HA -0.170 4.570 4.740 -0.000 0.000 0.250 360 N C -0.682 174.824 175.510 -0.006 0.000 1.115 360 N CA 0.427 53.461 53.050 -0.026 0.000 0.724 360 N CB -1.307 37.140 38.487 -0.066 0.000 1.090 360 N HN 0.480 nan 8.380 nan 0.000 0.558 361 I N 1.121 121.708 120.570 0.027 0.000 2.268 361 I HA 0.050 4.220 4.170 -0.000 0.000 0.290 361 I C 1.233 177.376 176.117 0.044 0.000 1.125 361 I CA -0.029 61.304 61.300 0.055 0.000 1.236 361 I CB 0.533 38.586 38.000 0.087 0.000 1.469 361 I HN 0.175 nan 8.210 nan 0.000 0.512 362 E N 3.733 123.956 120.200 0.037 0.000 2.170 362 E HA -0.048 4.302 4.350 -0.000 0.000 0.191 362 E C 0.564 177.193 176.600 0.050 0.000 0.981 362 E CA 0.627 57.043 56.400 0.026 0.000 0.830 362 E CB 0.453 30.149 29.700 -0.006 0.000 0.775 362 E HN 0.529 nan 8.360 nan 0.000 0.470 363 E N 1.189 121.444 120.200 0.091 0.000 2.409 363 E HA 0.141 4.491 4.350 -0.000 0.000 0.259 363 E C -1.377 175.293 176.600 0.117 0.000 0.932 363 E CA -0.578 55.889 56.400 0.112 0.000 0.809 363 E CB 0.947 30.752 29.700 0.175 0.000 1.341 363 E HN -0.076 nan 8.360 nan 0.000 0.405 364 L N 4.057 125.332 121.223 0.086 0.000 2.499 364 L HA 0.085 4.425 4.340 -0.000 0.000 0.273 364 L C 0.241 177.158 176.870 0.079 0.000 1.195 364 L CA 0.662 55.552 54.840 0.083 0.000 0.882 364 L CB 0.626 42.713 42.059 0.047 0.000 1.133 364 L HN 0.596 nan 8.230 nan 0.000 0.483 365 D N 3.378 123.836 120.400 0.097 0.000 2.443 365 D HA -0.079 4.561 4.640 -0.000 0.000 0.239 365 D C 0.951 177.281 176.300 0.050 0.000 1.136 365 D CA 0.501 54.548 54.000 0.080 0.000 0.879 365 D CB 0.929 41.796 40.800 0.111 0.000 1.195 365 D HN 0.818 nan 8.370 nan 0.000 0.443 366 E N 2.160 122.383 120.200 0.038 0.000 2.160 366 E HA -0.263 4.087 4.350 -0.000 0.000 0.195 366 E C 1.021 177.633 176.600 0.020 0.000 0.991 366 E CA 1.090 57.505 56.400 0.026 0.000 0.810 366 E CB -0.169 29.545 29.700 0.022 0.000 0.742 366 E HN 0.551 nan 8.360 nan 0.000 0.466 367 Q N -0.003 119.815 119.800 0.028 0.000 2.466 367 Q HA 0.143 4.483 4.340 -0.000 0.000 0.210 367 Q C 1.019 177.022 176.000 0.004 0.000 0.961 367 Q CA 0.549 56.366 55.803 0.024 0.000 0.953 367 Q CB 0.482 29.244 28.738 0.040 0.000 1.011 367 Q HN 0.436 nan 8.270 nan 0.000 0.516 368 A N -0.306 122.505 122.820 -0.015 0.000 2.538 368 A HA 0.471 4.791 4.320 -0.000 0.000 0.269 368 A C 1.776 179.319 177.584 -0.070 0.000 1.231 368 A CA 0.446 52.434 52.037 -0.081 0.000 0.948 368 A CB 0.175 19.086 19.000 -0.147 0.000 1.110 368 A HN 0.292 nan 8.150 nan 0.000 0.529 369 A N 0.338 123.139 122.820 -0.032 0.000 1.873 369 A HA 0.082 4.402 4.320 -0.000 0.000 0.218 369 A C 1.886 179.452 177.584 -0.029 0.000 1.193 369 A CA 1.665 53.688 52.037 -0.023 0.000 0.629 369 A CB -1.032 17.964 19.000 -0.007 0.000 0.826 369 A HN 0.975 nan 8.150 nan 0.000 0.447 370 G N -0.364 108.420 108.800 -0.027 0.000 3.455 370 G HA2 0.469 4.429 3.960 -0.000 0.000 0.250 370 G HA3 0.469 4.429 3.960 -0.000 0.000 0.250 370 G C -0.307 174.568 174.900 -0.042 0.000 1.071 370 G CA -0.126 44.959 45.100 -0.025 0.000 1.812 370 G HN 0.309 nan 8.290 nan 0.000 0.643 371 L N -0.586 120.599 121.223 -0.063 0.000 2.518 371 L HA 0.318 4.657 4.340 -0.000 0.000 0.257 371 L C -0.955 175.862 176.870 -0.089 0.000 0.980 371 L CA -1.287 53.499 54.840 -0.089 0.000 0.837 371 L CB 2.390 44.368 42.059 -0.134 0.000 1.410 371 L HN 0.034 nan 8.230 nan 0.000 0.410 372 N N 2.554 121.201 118.700 -0.088 0.000 2.868 372 N HA 0.258 4.998 4.740 -0.000 0.000 0.252 372 N C -0.950 174.519 175.510 -0.069 0.000 1.130 372 N CA -0.338 52.673 53.050 -0.065 0.000 1.026 372 N CB 0.214 38.673 38.487 -0.048 0.000 1.335 372 N HN 0.350 nan 8.380 nan 0.000 0.516 373 I N 3.664 124.186 120.570 -0.080 0.000 2.308 373 I HA 0.118 4.288 4.170 -0.000 0.000 0.293 373 I C 0.149 176.265 176.117 -0.002 0.000 1.078 373 I CA -0.659 60.598 61.300 -0.071 0.000 1.292 373 I CB 0.337 38.262 38.000 -0.125 0.000 1.423 373 I HN 0.101 nan 8.210 nan 0.000 0.493 374 V N 7.271 127.205 119.914 0.034 0.000 2.450 374 V HA 0.034 4.154 4.120 -0.000 0.000 0.281 374 V C 1.489 177.615 176.094 0.053 0.000 1.019 374 V CA 0.296 62.623 62.300 0.045 0.000 1.062 374 V CB 0.492 32.352 31.823 0.062 0.000 0.979 374 V HN 0.901 nan 8.190 nan 0.000 0.477 375 T N 0.700 115.278 114.554 0.039 0.000 3.044 375 T HA 0.266 4.616 4.350 -0.000 0.000 0.260 375 T C 0.208 174.926 174.700 0.030 0.000 1.019 375 T CA -0.220 61.904 62.100 0.040 0.000 0.921 375 T CB -0.113 68.776 68.868 0.035 0.000 1.053 375 T HN 0.813 nan 8.240 nan 0.000 0.533 376 E N 0.485 120.703 120.200 0.029 0.000 2.308 376 E HA 0.446 4.795 4.350 -0.000 0.000 0.275 376 E C -1.385 175.235 176.600 0.033 0.000 0.890 376 E CA -1.064 55.350 56.400 0.024 0.000 0.754 376 E CB 1.098 30.808 29.700 0.017 0.000 1.207 376 E HN -0.117 nan 8.360 nan 0.000 0.426 377 T N 2.634 117.209 114.554 0.036 0.000 2.822 377 T HA 0.097 4.447 4.350 -0.000 0.000 0.288 377 T C -0.410 174.327 174.700 0.061 0.000 0.991 377 T CA 0.423 62.562 62.100 0.066 0.000 1.176 377 T CB 0.134 69.019 68.868 0.029 0.000 0.951 377 T HN 0.446 nan 8.240 nan 0.000 0.526 378 T N 4.206 118.815 114.554 0.091 0.000 2.840 378 T HA 0.235 4.585 4.350 -0.000 0.000 0.287 378 T C -0.431 174.330 174.700 0.101 0.000 0.991 378 T CA -0.942 61.198 62.100 0.066 0.000 0.964 378 T CB 1.102 69.992 68.868 0.038 0.000 0.954 378 T HN 0.442 nan 8.240 nan 0.000 0.438 379 D N 2.875 123.324 120.400 0.083 0.000 2.348 379 D HA 0.417 5.057 4.640 -0.000 0.000 0.253 379 D C 0.324 176.665 176.300 0.069 0.000 1.161 379 D CA 0.146 54.207 54.000 0.101 0.000 0.876 379 D CB 1.079 41.916 40.800 0.062 0.000 1.160 379 D HN 0.360 nan 8.370 nan 0.000 0.459 380 R N 1.107 121.650 120.500 0.071 0.000 2.604 380 R HA 0.088 4.428 4.340 -0.000 0.000 0.261 380 R C -1.257 175.063 176.300 0.034 0.000 1.080 380 R CA -0.668 55.455 56.100 0.038 0.000 0.917 380 R CB 1.325 31.636 30.300 0.018 0.000 1.252 380 R HN 0.117 nan 8.270 nan 0.000 0.456 381 E N 5.038 125.254 120.200 0.027 0.000 2.070 381 E HA 0.145 4.495 4.350 -0.000 0.000 0.282 381 E C -0.257 176.352 176.600 0.016 0.000 1.104 381 E CA -0.020 56.394 56.400 0.024 0.000 0.876 381 E CB 0.379 30.092 29.700 0.021 0.000 1.055 381 E HN 0.389 nan 8.360 nan 0.000 0.401 382 L N 1.576 122.805 121.223 0.010 0.000 2.379 382 L HA 0.304 4.644 4.340 -0.000 0.000 0.269 382 L C 1.233 178.113 176.870 0.016 0.000 1.084 382 L CA -0.284 54.562 54.840 0.010 0.000 0.802 382 L CB 1.083 43.139 42.059 -0.005 0.000 1.175 382 L HN 0.412 nan 8.230 nan 0.000 0.448 383 T N -1.495 113.072 114.554 0.022 0.000 3.075 383 T HA 0.095 4.445 4.350 -0.000 0.000 0.251 383 T C 0.222 174.937 174.700 0.025 0.000 0.979 383 T CA 0.277 62.389 62.100 0.020 0.000 1.033 383 T CB 0.703 69.582 68.868 0.017 0.000 1.104 383 T HN 0.588 nan 8.240 nan 0.000 0.473 384 T N 2.836 117.411 114.554 0.034 0.000 2.881 384 T HA 0.692 5.042 4.350 -0.000 0.000 0.290 384 T C -0.872 173.860 174.700 0.053 0.000 1.000 384 T CA -0.689 61.435 62.100 0.040 0.000 0.978 384 T CB 2.093 70.986 68.868 0.042 0.000 0.997 384 T HN 0.233 nan 8.240 nan 0.000 0.443 385 V N 0.971 120.917 119.914 0.054 0.000 2.962 385 V HA 0.868 4.988 4.120 -0.000 0.000 0.313 385 V C -0.728 175.379 176.094 0.022 0.000 1.099 385 V CA -1.218 61.120 62.300 0.063 0.000 0.971 385 V CB 2.173 34.078 31.823 0.137 0.000 1.028 385 V HN 0.983 nan 8.190 nan 0.000 0.430 386 M N 2.844 122.423 119.600 -0.035 0.000 2.530 386 M HA 0.772 5.252 4.480 -0.000 0.000 0.307 386 M C -1.051 175.188 176.300 -0.102 0.000 1.161 386 M CA -0.285 54.993 55.300 -0.035 0.000 0.903 386 M CB 2.235 34.847 32.600 0.019 0.000 1.711 386 M HN 0.980 nan 8.290 nan 0.000 0.451 387 S N 3.158 118.810 115.700 -0.080 0.000 2.672 387 S HA 0.573 5.043 4.470 -0.000 0.000 0.291 387 S C -1.488 173.018 174.600 -0.155 0.000 1.145 387 S CA -0.793 57.335 58.200 -0.120 0.000 1.013 387 S CB 0.969 64.110 63.200 -0.098 0.000 1.017 387 S HN 0.849 nan 8.310 nan 0.000 0.487 388 N N 2.127 120.690 118.700 -0.228 0.000 2.456 388 N HA 0.575 5.315 4.740 -0.000 0.000 0.296 388 N C -1.230 173.908 175.510 -0.620 0.000 1.102 388 N CA -0.411 52.387 53.050 -0.420 0.000 0.924 388 N CB 1.864 40.083 38.487 -0.447 0.000 1.186 388 N HN 0.483 nan 8.380 nan 0.000 0.492 389 S N 1.206 116.417 115.700 -0.814 0.000 2.619 389 S HA 0.634 5.104 4.470 -0.000 0.000 0.280 389 S C -1.320 172.867 174.600 -0.688 0.000 1.150 389 S CA -0.601 57.211 58.200 -0.647 0.000 0.978 389 S CB 0.608 63.595 63.200 -0.355 0.000 1.041 389 S HN 0.301 nan 8.310 nan 0.000 0.485 390 F N 0.882 120.811 119.950 -0.034 0.000 2.576 390 F HA 0.863 5.390 4.527 -0.000 0.000 0.313 390 F C 0.685 176.490 175.800 0.010 0.000 1.078 390 F CA -0.810 57.195 58.000 0.009 0.000 0.921 390 F CB 2.049 41.068 39.000 0.030 0.000 1.232 390 F HN 0.704 nan 8.300 nan 0.000 0.459 391 G N 0.556 109.501 108.800 0.243 0.000 2.680 391 G HA2 0.610 4.570 3.960 -0.000 0.000 0.290 391 G HA3 0.610 4.570 3.960 -0.000 0.000 0.290 391 G C -1.548 173.497 174.900 0.241 0.000 1.355 391 G CA -0.741 44.428 45.100 0.116 0.000 0.903 391 G HN 0.199 nan 8.290 nan 0.000 0.474 392 F N 0.284 120.320 119.950 0.143 0.000 2.589 392 F HA 0.401 4.928 4.527 -0.000 0.000 0.352 392 F C 1.697 177.556 175.800 0.098 0.000 1.168 392 F CA 0.909 58.979 58.000 0.118 0.000 1.353 392 F CB 0.709 39.777 39.000 0.114 0.000 1.116 392 F HN 1.115 nan 8.300 nan 0.000 0.608 393 G N 0.347 109.308 108.800 0.269 0.000 2.157 393 G HA2 0.060 4.020 3.960 -0.000 0.000 0.239 393 G HA3 0.060 4.020 3.960 -0.000 0.000 0.239 393 G C 0.909 175.887 174.900 0.130 0.000 0.982 393 G CA 0.300 45.495 45.100 0.157 0.000 0.650 393 G HN 1.893 nan 8.290 nan 0.000 0.527 394 G N -1.124 107.766 108.800 0.150 0.000 2.198 394 G HA2 0.046 4.006 3.960 -0.000 0.000 0.260 394 G HA3 0.046 4.006 3.960 -0.000 0.000 0.260 394 G C 0.432 175.407 174.900 0.126 0.000 1.025 394 G CA 1.418 46.583 45.100 0.108 0.000 0.769 394 G HN 1.969 nan 8.290 nan 0.000 0.507 395 T N 0.548 115.212 114.554 0.183 0.000 2.806 395 T HA 0.548 4.897 4.350 -0.000 0.000 0.290 395 T C 0.059 174.946 174.700 0.312 0.000 0.966 395 T CA -0.468 61.771 62.100 0.231 0.000 1.060 395 T CB 0.274 69.295 68.868 0.255 0.000 0.927 395 T HN 0.320 nan 8.240 nan 0.000 0.485 396 N N 2.912 121.809 118.700 0.328 0.000 2.284 396 N HA 0.690 5.430 4.740 -0.000 0.000 0.300 396 N C -1.305 174.348 175.510 0.240 0.000 1.047 396 N CA -0.617 52.673 53.050 0.399 0.000 0.821 396 N CB 2.130 40.831 38.487 0.358 0.000 1.337 396 N HN 0.743 nan 8.380 nan 0.000 0.482 397 A N 0.833 123.672 122.820 0.031 0.000 2.455 397 A HA 0.764 5.083 4.320 -0.000 0.000 0.300 397 A C -0.842 176.679 177.584 -0.104 0.000 1.040 397 A CA -0.485 51.475 52.037 -0.129 0.000 0.697 397 A CB 1.440 20.102 19.000 -0.563 0.000 1.265 397 A HN 0.443 nan 8.150 nan 0.000 0.407 398 T N 2.219 116.774 114.554 0.001 0.000 2.916 398 T HA 0.612 4.961 4.350 -0.000 0.000 0.298 398 T C -0.943 173.805 174.700 0.079 0.000 1.031 398 T CA -0.253 61.846 62.100 -0.000 0.000 0.993 398 T CB 0.942 69.831 68.868 0.035 0.000 1.045 398 T HN 0.507 nan 8.240 nan 0.000 0.454 399 L N 2.700 123.941 121.223 0.029 0.000 2.365 399 L HA 0.790 5.129 4.340 -0.000 0.000 0.273 399 L C -0.894 175.994 176.870 0.029 0.000 1.000 399 L CA -1.134 53.735 54.840 0.049 0.000 0.819 399 L CB 2.109 44.161 42.059 -0.012 0.000 1.284 399 L HN 0.334 nan 8.230 nan 0.000 0.418 400 V N 3.932 123.874 119.914 0.047 0.000 2.444 400 V HA 0.518 4.638 4.120 -0.000 0.000 0.294 400 V C -0.212 175.899 176.094 0.028 0.000 1.022 400 V CA -0.347 61.976 62.300 0.040 0.000 0.850 400 V CB 1.840 33.696 31.823 0.055 0.000 0.992 400 V HN 0.713 nan 8.190 nan 0.000 0.426 401 M N 5.190 124.802 119.600 0.020 0.000 2.393 401 M HA 0.671 5.151 4.480 -0.000 0.000 0.316 401 M C -0.545 175.767 176.300 0.020 0.000 1.087 401 M CA -0.398 54.909 55.300 0.013 0.000 0.937 401 M CB 2.561 35.161 32.600 0.000 0.000 1.668 401 M HN 0.578 nan 8.290 nan 0.000 0.438 402 R N 1.507 122.016 120.500 0.015 0.000 2.725 402 R HA 0.496 4.835 4.340 -0.000 0.000 0.277 402 R C -1.103 175.201 176.300 0.007 0.000 0.987 402 R CA -0.806 55.303 56.100 0.015 0.000 0.901 402 R CB 2.043 32.352 30.300 0.015 0.000 1.207 402 R HN 0.652 nan 8.270 nan 0.000 0.463 403 K N 2.000 122.403 120.400 0.005 0.000 2.414 403 K HA 0.024 4.344 4.320 -0.000 0.000 0.272 403 K C -0.316 176.276 176.600 -0.013 0.000 0.993 403 K CA -0.187 56.097 56.287 -0.006 0.000 0.964 403 K CB 0.406 32.903 32.500 -0.005 0.000 0.925 403 K HN 0.263 nan 8.250 nan 0.000 0.487 404 L N 3.646 124.854 121.223 -0.026 0.000 2.331 404 L HA 0.093 4.433 4.340 -0.000 0.000 0.278 404 L C -0.413 176.443 176.870 -0.023 0.000 1.106 404 L CA -0.151 54.673 54.840 -0.027 0.000 0.824 404 L CB 0.489 42.524 42.059 -0.041 0.000 1.142 404 L HN 0.442 nan 8.230 nan 0.000 0.443 405 K N 3.001 123.391 120.400 -0.016 0.000 2.159 405 K HA 0.723 5.043 4.320 -0.000 0.000 0.242 405 K C 0.003 176.594 176.600 -0.015 0.000 1.043 405 K CA 0.360 56.639 56.287 -0.013 0.000 0.856 405 K CB -0.349 32.145 32.500 -0.010 0.000 1.072 405 K HN 0.727 nan 8.250 nan 0.000 0.514 406 D N 0.000 120.392 120.400 -0.013 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