REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2byw_1_D DATA FIRST_RESID 1 DATA SEQUENCE MKRVVITGLG IVSSIGNNQQ EVLASLREGR SGITFSQELK DSGMRSHVWG DATA SEQUENCE NVKLDTTGLI DRKVVRFMSD ASIYAFLSME QAIADAGLSP EAYQNNPRVG DATA SEQUENCE LIAGSGGGSP RFQVFGADAM RGPRGLKAVG PYVVTKAMAS GVSACLATPF DATA SEQUENCE KIHGVNYSIS SACATSAHCI GNAVEQIQLG KQDIVFAGGG EELCWEMACE DATA SEQUENCE FDAMGALSTK YNDTPEKASR TYDAHRDGFV IAGGGGMVVV EELEHALARG DATA SEQUENCE AHIYAEIVGY GATSDGADMV APSGEGAVRC MKMAMHGVDT PIDYLNSHGT DATA SEQUENCE STPVGDVKEL AAIREVFGDK SPAISATAAM TGHSLGAAGV QEAIYSLLML DATA SEQUENCE EHGFIAPSIN IEELDEQAAG LNIVTETTDR ELTTVMSNSF GFGGTNATLV DATA SEQUENCE MRKLKD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.308 176.300 0.013 0.000 1.140 1 M CA 0.000 55.309 55.300 0.015 0.000 0.988 1 M CB 0.000 32.612 32.600 0.020 0.000 1.302 2 K N 2.884 123.290 120.400 0.010 0.000 2.448 2 K HA 0.353 4.672 4.320 -0.000 0.000 0.278 2 K C -0.081 176.522 176.600 0.005 0.000 1.009 2 K CA 0.169 56.459 56.287 0.006 0.000 0.995 2 K CB 0.847 33.347 32.500 0.001 0.000 0.917 2 K HN 0.741 nan 8.250 nan 0.000 0.481 3 R N 0.720 121.222 120.500 0.003 0.000 2.500 3 R HA 0.409 4.749 4.340 -0.000 0.000 0.275 3 R C -0.261 176.034 176.300 -0.008 0.000 1.051 3 R CA -0.713 55.388 56.100 0.002 0.000 1.088 3 R CB 0.938 31.240 30.300 0.002 0.000 1.063 3 R HN 0.213 nan 8.270 nan 0.000 0.511 4 V N 2.829 122.736 119.914 -0.012 0.000 2.656 4 V HA 0.489 4.609 4.120 -0.000 0.000 0.307 4 V C -0.212 175.865 176.094 -0.029 0.000 1.051 4 V CA -0.779 61.504 62.300 -0.029 0.000 0.893 4 V CB 1.783 33.583 31.823 -0.039 0.000 0.999 4 V HN 0.638 nan 8.190 nan 0.000 0.426 5 V N 1.944 121.836 119.914 -0.036 0.000 3.102 5 V HA 0.699 4.819 4.120 -0.000 0.000 0.312 5 V C -0.952 175.123 176.094 -0.032 0.000 1.135 5 V CA -0.936 61.347 62.300 -0.028 0.000 1.022 5 V CB 2.505 34.312 31.823 -0.027 0.000 1.056 5 V HN 0.566 nan 8.190 nan 0.000 0.436 6 I N 2.720 123.290 120.570 0.000 0.000 2.321 6 I HA 0.442 4.612 4.170 -0.000 0.000 0.291 6 I C 1.128 177.321 176.117 0.128 0.000 0.998 6 I CA 0.205 61.519 61.300 0.023 0.000 1.227 6 I CB 1.196 39.204 38.000 0.013 0.000 1.368 6 I HN 1.053 nan 8.210 nan 0.000 0.466 7 T N 1.208 115.821 114.554 0.099 0.000 3.044 7 T HA 0.478 4.828 4.350 -0.000 0.000 0.260 7 T C 0.552 175.402 174.700 0.250 0.000 1.019 7 T CA -0.269 61.918 62.100 0.144 0.000 0.921 7 T CB 0.497 69.387 68.868 0.035 0.000 1.053 7 T HN 0.734 nan 8.240 nan 0.000 0.533 8 G N 1.386 110.327 108.800 0.235 0.000 2.667 8 G HA2 0.556 4.516 3.960 -0.000 0.000 0.294 8 G HA3 0.556 4.516 3.960 -0.000 0.000 0.294 8 G C -2.074 172.844 174.900 0.030 0.000 1.467 8 G CA -0.944 44.281 45.100 0.208 0.000 0.852 8 G HN 0.653 nan 8.290 nan 0.000 0.521 9 L N -1.080 120.132 121.223 -0.017 0.000 2.465 9 L HA 1.052 5.392 4.340 -0.000 0.000 0.257 9 L C -0.084 176.739 176.870 -0.077 0.000 0.988 9 L CA -0.926 53.837 54.840 -0.128 0.000 0.827 9 L CB 1.905 43.779 42.059 -0.308 0.000 1.397 9 L HN 1.210 nan 8.230 nan 0.000 0.410 10 G N 1.120 109.866 108.800 -0.090 0.000 2.719 10 G HA2 0.775 4.735 3.960 -0.000 0.000 0.298 10 G HA3 0.775 4.735 3.960 -0.000 0.000 0.298 10 G C -2.013 172.842 174.900 -0.075 0.000 1.411 10 G CA -0.651 44.409 45.100 -0.067 0.000 0.991 10 G HN 1.011 nan 8.290 nan 0.000 0.509 11 I N 0.754 121.292 120.570 -0.053 0.000 2.841 11 I HA 0.625 4.795 4.170 -0.000 0.000 0.298 11 I C -1.542 174.552 176.117 -0.039 0.000 1.304 11 I CA -0.968 60.296 61.300 -0.061 0.000 1.019 11 I CB 2.380 40.335 38.000 -0.075 0.000 1.282 11 I HN 0.347 nan 8.210 nan 0.000 0.432 12 V N 6.284 126.159 119.914 -0.064 0.000 2.445 12 V HA 0.546 4.666 4.120 -0.000 0.000 0.283 12 V C -0.335 175.657 176.094 -0.170 0.000 1.014 12 V CA -0.202 62.039 62.300 -0.098 0.000 0.852 12 V CB 1.298 33.069 31.823 -0.087 0.000 1.021 12 V HN 0.835 nan 8.190 nan 0.000 0.435 13 S N 2.266 117.896 115.700 -0.116 0.000 2.732 13 S HA 0.475 4.945 4.470 -0.000 0.000 0.293 13 S C 1.160 175.697 174.600 -0.106 0.000 1.159 13 S CA 0.086 58.223 58.200 -0.105 0.000 0.847 13 S CB 1.755 64.983 63.200 0.048 0.000 1.169 13 S HN 0.889 nan 8.310 nan 0.000 0.501 14 S N 0.340 115.985 115.700 -0.092 0.000 2.442 14 S HA -0.084 4.386 4.470 -0.000 0.000 0.236 14 S C 1.418 175.990 174.600 -0.048 0.000 1.007 14 S CA 1.073 59.222 58.200 -0.085 0.000 0.965 14 S CB -1.146 62.016 63.200 -0.064 0.000 0.773 14 S HN 1.019 nan 8.310 nan 0.000 0.504 15 I N -2.535 118.016 120.570 -0.031 0.000 3.927 15 I HA 0.672 4.842 4.170 -0.000 0.000 0.332 15 I C 0.521 176.625 176.117 -0.022 0.000 1.485 15 I CA -0.421 60.857 61.300 -0.037 0.000 1.131 15 I CB 0.219 38.170 38.000 -0.082 0.000 1.092 15 I HN 0.276 nan 8.210 nan 0.000 0.410 16 G N 1.070 109.861 108.800 -0.015 0.000 2.378 16 G HA2 0.041 4.001 3.960 -0.000 0.000 0.302 16 G HA3 0.041 4.001 3.960 -0.000 0.000 0.302 16 G C -0.803 174.089 174.900 -0.014 0.000 1.669 16 G CA -0.644 44.451 45.100 -0.008 0.000 0.920 16 G HN 0.005 nan 8.290 nan 0.000 0.697 17 N N 0.142 118.833 118.700 -0.014 0.000 2.336 17 N HA 0.092 4.832 4.740 -0.000 0.000 0.189 17 N C 0.356 175.865 175.510 -0.001 0.000 1.113 17 N CA 0.692 53.733 53.050 -0.014 0.000 0.858 17 N CB 0.294 38.777 38.487 -0.007 0.000 0.970 17 N HN 0.823 nan 8.380 nan 0.000 0.471 18 N N -1.771 116.931 118.700 0.004 0.000 3.046 18 N HA -0.013 4.727 4.740 -0.000 0.000 0.243 18 N C 0.336 175.858 175.510 0.019 0.000 1.452 18 N CA -0.703 52.353 53.050 0.009 0.000 0.882 18 N CB 0.512 39.005 38.487 0.011 0.000 1.425 18 N HN -0.155 nan 8.380 nan 0.000 0.517 19 Q N -0.839 118.977 119.800 0.026 0.000 2.291 19 Q HA -0.116 4.224 4.340 -0.000 0.000 0.206 19 Q C 0.911 176.933 176.000 0.037 0.000 0.976 19 Q CA 1.303 57.134 55.803 0.047 0.000 0.875 19 Q CB -0.229 28.546 28.738 0.063 0.000 0.927 19 Q HN 0.696 nan 8.270 nan 0.000 0.450 20 Q N 0.906 120.715 119.800 0.016 0.000 2.046 20 Q HA -0.149 4.191 4.340 -0.000 0.000 0.200 20 Q C 1.939 177.920 176.000 -0.031 0.000 0.975 20 Q CA 1.678 57.471 55.803 -0.015 0.000 0.836 20 Q CB 0.053 28.782 28.738 -0.014 0.000 0.896 20 Q HN 0.581 nan 8.270 nan 0.000 0.428 21 E N -0.024 120.167 120.200 -0.016 0.000 2.106 21 E HA -0.146 4.204 4.350 -0.000 0.000 0.192 21 E C 2.124 178.713 176.600 -0.019 0.000 0.984 21 E CA 1.124 57.511 56.400 -0.022 0.000 0.806 21 E CB 0.059 29.751 29.700 -0.013 0.000 0.750 21 E HN 0.104 nan 8.360 nan 0.000 0.458 22 V N 1.566 121.487 119.914 0.013 0.000 2.295 22 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 22 V C 2.331 178.436 176.094 0.019 0.000 1.049 22 V CA 1.482 63.807 62.300 0.041 0.000 1.024 22 V CB -0.423 31.486 31.823 0.143 0.000 0.648 22 V HN 0.233 nan 8.190 nan 0.000 0.447 23 L N 0.987 122.217 121.223 0.011 0.000 2.012 23 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 23 L C 2.453 179.238 176.870 -0.141 0.000 1.073 23 L CA 2.544 57.359 54.840 -0.041 0.000 0.748 23 L CB -1.028 40.939 42.059 -0.154 0.000 0.891 23 L HN 0.228 nan 8.230 nan 0.000 0.431 24 A N -1.474 121.266 122.820 -0.133 0.000 1.902 24 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 24 A C 2.387 179.900 177.584 -0.119 0.000 1.181 24 A CA 2.091 54.042 52.037 -0.144 0.000 0.623 24 A CB -1.049 17.889 19.000 -0.104 0.000 0.818 24 A HN 0.554 nan 8.150 nan 0.000 0.443 25 S N -0.138 115.511 115.700 -0.085 0.000 2.368 25 S HA -0.102 4.368 4.470 -0.000 0.000 0.225 25 S C 1.836 176.387 174.600 -0.082 0.000 1.030 25 S CA 1.477 59.630 58.200 -0.078 0.000 0.999 25 S CB -0.470 62.685 63.200 -0.074 0.000 0.844 25 S HN 0.504 nan 8.310 nan 0.000 0.459 26 L N 0.789 121.972 121.223 -0.066 0.000 2.046 26 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 26 L C 2.702 179.594 176.870 0.036 0.000 1.077 26 L CA 1.302 56.147 54.840 0.009 0.000 0.747 26 L CB -0.410 41.753 42.059 0.173 0.000 0.896 26 L HN 0.209 nan 8.230 nan 0.000 0.432 27 R N -0.020 120.386 120.500 -0.156 0.000 2.115 27 R HA -0.132 4.208 4.340 -0.000 0.000 0.230 27 R C 1.751 177.966 176.300 -0.141 0.000 1.111 27 R CA 1.124 57.046 56.100 -0.297 0.000 0.976 27 R CB -0.069 29.915 30.300 -0.527 0.000 0.870 27 R HN 0.455 nan 8.270 nan 0.000 0.445 28 E N -0.741 119.394 120.200 -0.108 0.000 2.479 28 E HA 0.096 4.446 4.350 -0.000 0.000 0.193 28 E C 0.556 177.129 176.600 -0.045 0.000 1.049 28 E CA 0.248 56.604 56.400 -0.073 0.000 0.870 28 E CB 0.769 30.426 29.700 -0.072 0.000 0.944 28 E HN 0.421 nan 8.360 nan 0.000 0.492 29 G N 2.883 111.660 108.800 -0.038 0.000 2.305 29 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.287 29 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.287 29 G C 0.069 174.948 174.900 -0.036 0.000 1.036 29 G CA 0.525 45.609 45.100 -0.028 0.000 0.887 29 G HN 0.218 nan 8.290 nan 0.000 0.505 30 R N 0.242 120.715 120.500 -0.046 0.000 2.340 30 R HA 0.481 4.821 4.340 -0.000 0.000 0.300 30 R C 0.859 177.135 176.300 -0.040 0.000 1.069 30 R CA 0.257 56.334 56.100 -0.038 0.000 0.984 30 R CB 0.520 30.796 30.300 -0.040 0.000 1.003 30 R HN 0.258 nan 8.270 nan 0.000 0.459 31 S N 1.942 117.628 115.700 -0.024 0.000 2.580 31 S HA 0.254 4.724 4.470 -0.000 0.000 0.274 31 S C 0.865 175.461 174.600 -0.006 0.000 1.329 31 S CA -0.183 58.007 58.200 -0.016 0.000 1.036 31 S CB 1.233 64.433 63.200 0.000 0.000 0.919 31 S HN 0.794 nan 8.310 nan 0.000 0.515 32 G N 3.700 112.498 108.800 -0.004 0.000 3.453 32 G HA2 0.245 4.205 3.960 -0.000 0.000 0.263 32 G HA3 0.245 4.205 3.960 -0.000 0.000 0.263 32 G C 0.055 174.981 174.900 0.043 0.000 1.060 32 G CA -0.261 44.842 45.100 0.005 0.000 0.793 32 G HN 0.602 nan 8.290 nan 0.000 0.532 33 I N 2.715 123.325 120.570 0.065 0.000 2.395 33 I HA 0.383 4.553 4.170 -0.000 0.000 0.289 33 I C 0.628 176.841 176.117 0.159 0.000 1.023 33 I CA -0.265 61.109 61.300 0.123 0.000 1.350 33 I CB 0.506 38.567 38.000 0.102 0.000 1.409 33 I HN 0.087 nan 8.210 nan 0.000 0.507 34 T N 2.732 117.436 114.554 0.250 0.000 2.865 34 T HA 0.532 4.882 4.350 -0.000 0.000 0.294 34 T C -0.530 174.319 174.700 0.247 0.000 1.119 34 T CA -0.740 61.513 62.100 0.256 0.000 1.007 34 T CB 1.791 70.823 68.868 0.272 0.000 1.225 34 T HN 0.199 nan 8.240 nan 0.000 0.515 35 F N 1.683 121.678 119.950 0.075 0.000 2.443 35 F HA 0.565 5.092 4.527 -0.000 0.000 0.353 35 F C 0.444 176.156 175.800 -0.146 0.000 1.101 35 F CA -0.192 57.797 58.000 -0.018 0.000 1.226 35 F CB 0.935 39.935 39.000 -0.000 0.000 1.140 35 F HN 0.680 nan 8.300 nan 0.000 0.557 36 S N 4.860 119.744 115.700 -1.360 0.000 2.566 36 S HA 0.196 4.666 4.470 -0.000 0.000 0.324 36 S C 0.526 174.290 174.600 -1.394 0.000 1.081 36 S CA -0.667 56.673 58.200 -1.435 0.000 1.105 36 S CB 1.282 63.114 63.200 -2.281 0.000 0.981 36 S HN 0.874 nan 8.310 nan 0.000 0.464 37 Q N 3.474 122.791 119.800 -0.805 0.000 2.167 37 Q HA -0.059 4.281 4.340 -0.000 0.000 0.202 37 Q C 1.750 177.514 176.000 -0.394 0.000 0.970 37 Q CA 2.113 57.660 55.803 -0.427 0.000 0.855 37 Q CB -0.163 28.537 28.738 -0.065 0.000 0.911 37 Q HN 0.909 nan 8.270 nan 0.000 0.438 38 E N -0.468 119.498 120.200 -0.390 0.000 2.058 38 E HA -0.196 4.154 4.350 -0.000 0.000 0.194 38 E C 1.822 178.249 176.600 -0.287 0.000 0.997 38 E CA 1.338 57.595 56.400 -0.238 0.000 0.801 38 E CB -0.181 29.492 29.700 -0.046 0.000 0.746 38 E HN 0.453 nan 8.360 nan 0.000 0.450 39 L N 0.625 121.567 121.223 -0.468 0.000 2.046 39 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 39 L C 2.865 179.574 176.870 -0.268 0.000 1.077 39 L CA 1.494 56.166 54.840 -0.280 0.000 0.747 39 L CB -0.513 41.342 42.059 -0.340 0.000 0.896 39 L HN 0.154 nan 8.230 nan 0.000 0.432 40 K N 0.267 120.372 120.400 -0.492 0.000 2.026 40 K HA -0.210 4.110 4.320 -0.000 0.000 0.208 40 K C 1.692 178.077 176.600 -0.358 0.000 1.048 40 K CA 1.842 57.735 56.287 -0.657 0.000 0.929 40 K CB -0.007 32.024 32.500 -0.782 0.000 0.713 40 K HN 0.188 nan 8.250 nan 0.000 0.439 41 D N 0.253 120.473 120.400 -0.300 0.000 2.182 41 D HA -0.135 4.505 4.640 -0.000 0.000 0.201 41 D C 1.900 178.027 176.300 -0.287 0.000 0.986 41 D CA 1.549 55.404 54.000 -0.243 0.000 0.847 41 D CB -0.181 40.492 40.800 -0.212 0.000 0.942 41 D HN 0.366 nan 8.370 nan 0.000 0.467 42 S N -0.941 114.555 115.700 -0.339 0.000 2.515 42 S HA 0.104 4.574 4.470 -0.000 0.000 0.231 42 S C 1.754 176.199 174.600 -0.260 0.000 0.987 42 S CA 1.035 58.957 58.200 -0.464 0.000 0.936 42 S CB 0.138 63.073 63.200 -0.442 0.000 0.766 42 S HN 0.337 nan 8.310 nan 0.000 0.528 43 G N 0.432 109.141 108.800 -0.151 0.000 2.163 43 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.213 43 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.213 43 G C -0.003 174.911 174.900 0.024 0.000 0.991 43 G CA 0.065 45.127 45.100 -0.063 0.000 0.653 43 G HN 0.484 nan 8.290 nan 0.000 0.518 44 M N -0.469 119.164 119.600 0.055 0.000 2.202 44 M HA 0.424 4.904 4.480 -0.000 0.000 0.316 44 M C 1.846 178.266 176.300 0.201 0.000 1.138 44 M CA 0.015 55.389 55.300 0.123 0.000 1.151 44 M CB 0.558 33.240 32.600 0.136 0.000 1.422 44 M HN 0.152 nan 8.290 nan 0.000 0.471 45 R N -0.392 120.159 120.500 0.087 0.000 2.189 45 R HA 0.106 4.446 4.340 -0.000 0.000 0.203 45 R C 0.433 176.570 176.300 -0.271 0.000 1.012 45 R CA 0.218 56.291 56.100 -0.046 0.000 1.015 45 R CB 0.265 30.544 30.300 -0.035 0.000 0.938 45 R HN 0.561 nan 8.270 nan 0.000 0.472 46 S N 0.513 116.156 115.700 -0.095 0.000 2.452 46 S HA 0.125 4.595 4.470 -0.000 0.000 0.284 46 S C -0.129 174.472 174.600 0.002 0.000 1.171 46 S CA -0.564 57.571 58.200 -0.109 0.000 1.064 46 S CB 0.290 63.464 63.200 -0.045 0.000 0.967 46 S HN 0.338 nan 8.310 nan 0.000 0.484 47 H N 2.945 121.968 119.070 -0.078 0.000 2.469 47 H HA 0.345 4.901 4.556 -0.000 0.000 0.286 47 H C 0.000 175.118 175.328 -0.350 0.000 1.106 47 H CA -0.624 55.271 56.048 -0.254 0.000 1.055 47 H CB 0.464 30.166 29.762 -0.100 0.000 1.618 47 H HN 0.451 nan 8.280 nan 0.000 0.559 48 V N -1.794 118.069 119.914 -0.084 0.000 2.914 48 V HA 0.648 4.768 4.120 -0.000 0.000 0.314 48 V C -1.361 174.793 176.094 0.100 0.000 1.084 48 V CA -0.942 61.340 62.300 -0.030 0.000 0.963 48 V CB 2.171 34.053 31.823 0.097 0.000 1.025 48 V HN 0.399 nan 8.190 nan 0.000 0.432 49 W N 1.153 122.461 121.300 0.014 0.000 3.066 49 W HA 0.817 5.477 4.660 -0.000 0.000 0.330 49 W C -0.299 176.231 176.519 0.020 0.000 1.253 49 W CA -1.719 55.637 57.345 0.019 0.000 1.187 49 W CB 0.845 30.314 29.460 0.016 0.000 1.434 49 W HN 1.035 nan 8.180 nan 0.000 0.572 50 G N 3.442 112.346 108.800 0.175 0.000 3.161 50 G HA2 0.300 4.259 3.960 -0.000 0.000 0.328 50 G HA3 0.300 4.259 3.960 -0.000 0.000 0.328 50 G C -0.255 174.514 174.900 -0.218 0.000 1.037 50 G CA -0.637 44.467 45.100 0.008 0.000 1.416 50 G HN 0.580 nan 8.290 nan 0.000 0.486 51 N N 0.673 119.147 118.700 -0.376 0.000 2.513 51 N HA 0.155 4.895 4.740 -0.000 0.000 0.274 51 N C -0.352 174.964 175.510 -0.323 0.000 1.189 51 N CA -0.536 52.160 53.050 -0.589 0.000 0.975 51 N CB 1.890 39.910 38.487 -0.779 0.000 1.157 51 N HN -0.056 nan 8.380 nan 0.000 0.465 52 V N 1.450 121.154 119.914 -0.349 0.000 2.389 52 V HA 0.065 4.185 4.120 -0.000 0.000 0.264 52 V C 0.329 176.337 176.094 -0.144 0.000 1.049 52 V CA -0.451 61.677 62.300 -0.286 0.000 0.932 52 V CB -0.006 31.521 31.823 -0.492 0.000 1.011 52 V HN 0.564 nan 8.190 nan 0.000 0.475 53 K N 5.288 125.635 120.400 -0.089 0.000 2.187 53 K HA 0.528 4.848 4.320 -0.000 0.000 0.242 53 K C -0.850 175.743 176.600 -0.012 0.000 1.179 53 K CA 0.136 56.406 56.287 -0.029 0.000 1.097 53 K CB 0.023 32.517 32.500 -0.009 0.000 1.634 53 K HN 0.501 nan 8.250 nan 0.000 0.335 54 L N 0.813 122.039 121.223 0.006 0.000 2.549 54 L HA 0.337 4.677 4.340 -0.000 0.000 0.259 54 L C -1.814 175.085 176.870 0.048 0.000 0.934 54 L CA -0.599 54.257 54.840 0.027 0.000 0.865 54 L CB 2.197 44.274 42.059 0.030 0.000 1.352 54 L HN 0.237 nan 8.230 nan 0.000 0.410 55 D N 1.565 121.989 120.400 0.041 0.000 2.380 55 D HA 0.295 4.935 4.640 -0.000 0.000 0.230 55 D C 0.940 177.265 176.300 0.041 0.000 1.154 55 D CA 0.463 54.487 54.000 0.039 0.000 0.859 55 D CB 1.281 42.099 40.800 0.029 0.000 1.045 55 D HN 0.672 nan 8.370 nan 0.000 0.495 56 T N -0.379 114.202 114.554 0.046 0.000 3.129 56 T HA -0.004 4.346 4.350 -0.000 0.000 0.251 56 T C 0.970 175.673 174.700 0.005 0.000 1.117 56 T CA -0.002 62.120 62.100 0.038 0.000 1.034 56 T CB -0.716 68.177 68.868 0.043 0.000 0.968 56 T HN 0.439 nan 8.240 nan 0.000 0.526 57 T N 0.125 114.679 114.554 -0.000 0.000 2.871 57 T HA 0.391 4.741 4.350 -0.000 0.000 0.296 57 T C 1.667 176.358 174.700 -0.016 0.000 0.998 57 T CA 0.171 62.262 62.100 -0.016 0.000 1.162 57 T CB 0.107 68.969 68.868 -0.009 0.000 0.947 57 T HN 0.982 nan 8.240 nan 0.000 0.536 58 G N 2.729 111.509 108.800 -0.033 0.000 2.184 58 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.264 58 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.264 58 G C 0.707 175.596 174.900 -0.018 0.000 0.975 58 G CA 0.367 45.450 45.100 -0.029 0.000 0.642 58 G HN 0.750 nan 8.290 nan 0.000 0.536 59 L N -0.355 120.862 121.223 -0.009 0.000 2.313 59 L HA 0.339 4.679 4.340 -0.000 0.000 0.214 59 L C 1.214 178.094 176.870 0.018 0.000 1.119 59 L CA 0.771 55.625 54.840 0.023 0.000 0.809 59 L CB -0.052 42.039 42.059 0.052 0.000 0.933 59 L HN 0.300 nan 8.230 nan 0.000 0.449 60 I N -1.036 119.493 120.570 -0.069 0.000 2.545 60 I HA 0.193 4.363 4.170 -0.000 0.000 0.292 60 I C -0.713 175.298 176.117 -0.177 0.000 1.040 60 I CA -1.014 60.178 61.300 -0.180 0.000 1.068 60 I CB 2.026 39.773 38.000 -0.422 0.000 1.251 60 I HN -0.173 nan 8.210 nan 0.000 0.424 61 D N 4.946 125.250 120.400 -0.160 0.000 2.571 61 D HA -0.009 4.631 4.640 -0.000 0.000 0.231 61 D C 1.274 177.482 176.300 -0.154 0.000 1.133 61 D CA 0.153 54.078 54.000 -0.125 0.000 0.862 61 D CB 0.819 41.560 40.800 -0.099 0.000 1.179 61 D HN 0.333 nan 8.370 nan 0.000 0.474 62 R N 2.844 123.270 120.500 -0.123 0.000 2.113 62 R HA -0.198 4.142 4.340 -0.000 0.000 0.244 62 R C 1.579 177.779 176.300 -0.167 0.000 1.142 62 R CA 1.427 57.440 56.100 -0.144 0.000 0.953 62 R CB -0.343 29.891 30.300 -0.110 0.000 0.860 62 R HN 0.524 nan 8.270 nan 0.000 0.438 63 K N 0.165 120.500 120.400 -0.109 0.000 2.283 63 K HA -0.039 4.281 4.320 -0.000 0.000 0.202 63 K C 2.035 178.640 176.600 0.009 0.000 1.048 63 K CA 0.895 57.150 56.287 -0.053 0.000 0.948 63 K CB 0.115 32.615 32.500 0.001 0.000 0.742 63 K HN 0.006 nan 8.250 nan 0.000 0.458 64 V N -0.138 119.726 119.914 -0.083 0.000 2.492 64 V HA -0.093 4.027 4.120 -0.000 0.000 0.241 64 V C 1.888 177.887 176.094 -0.158 0.000 1.041 64 V CA 0.812 63.050 62.300 -0.103 0.000 1.057 64 V CB 0.242 31.902 31.823 -0.271 0.000 0.711 64 V HN 0.067 nan 8.190 nan 0.000 0.468 65 V N 2.421 122.169 119.914 -0.276 0.000 2.913 65 V HA -0.192 3.928 4.120 -0.000 0.000 0.260 65 V C 2.754 178.652 176.094 -0.327 0.000 1.098 65 V CA 2.054 64.171 62.300 -0.305 0.000 1.121 65 V CB -0.682 30.965 31.823 -0.294 0.000 0.714 65 V HN 0.708 nan 8.190 nan 0.000 0.487 66 R N -0.977 119.268 120.500 -0.425 0.000 2.193 66 R HA -0.133 4.207 4.340 -0.000 0.000 0.229 66 R C 1.739 177.500 176.300 -0.898 0.000 1.110 66 R CA 2.078 57.710 56.100 -0.781 0.000 0.988 66 R CB -0.677 28.929 30.300 -1.157 0.000 0.871 66 R HN 0.507 nan 8.270 nan 0.000 0.458 67 F N 0.916 120.623 119.950 -0.406 0.000 2.727 67 F HA 0.350 4.877 4.527 -0.000 0.000 0.302 67 F C 0.794 176.438 175.800 -0.260 0.000 1.097 67 F CA -0.245 57.616 58.000 -0.232 0.000 1.330 67 F CB 0.222 39.156 39.000 -0.110 0.000 1.084 67 F HN -0.120 nan 8.300 nan 0.000 0.578 68 M N 0.001 119.493 119.600 -0.180 0.000 2.363 68 M HA 0.340 4.820 4.480 -0.000 0.000 0.343 68 M C 0.387 176.476 176.300 -0.352 0.000 1.165 68 M CA -0.659 54.509 55.300 -0.220 0.000 1.046 68 M CB 1.605 34.086 32.600 -0.198 0.000 1.648 68 M HN -0.024 nan 8.290 nan 0.000 0.452 69 S N -0.155 115.372 115.700 -0.288 0.000 2.730 69 S HA 0.315 4.785 4.470 -0.000 0.000 0.284 69 S C 0.318 174.823 174.600 -0.158 0.000 1.153 69 S CA -0.781 57.287 58.200 -0.220 0.000 0.995 69 S CB 1.028 64.187 63.200 -0.068 0.000 1.058 69 S HN 0.670 nan 8.310 nan 0.000 0.552 70 D N 1.053 121.374 120.400 -0.131 0.000 2.149 70 D HA -0.048 4.592 4.640 -0.000 0.000 0.198 70 D C 2.149 178.118 176.300 -0.551 0.000 0.990 70 D CA 1.745 55.480 54.000 -0.441 0.000 0.839 70 D CB -0.833 39.723 40.800 -0.407 0.000 0.948 70 D HN 0.671 nan 8.370 nan 0.000 0.460 71 A N 0.385 123.089 122.820 -0.192 0.000 1.883 71 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 71 A C 2.441 180.010 177.584 -0.025 0.000 1.186 71 A CA 1.952 53.967 52.037 -0.037 0.000 0.624 71 A CB -0.608 18.409 19.000 0.030 0.000 0.822 71 A HN 0.180 nan 8.150 nan 0.000 0.444 72 S N -0.362 115.308 115.700 -0.050 0.000 2.402 72 S HA -0.053 4.417 4.470 -0.000 0.000 0.229 72 S C 1.781 176.397 174.600 0.026 0.000 1.021 72 S CA 1.258 59.462 58.200 0.006 0.000 0.974 72 S CB -0.450 62.739 63.200 -0.019 0.000 0.800 72 S HN 0.532 nan 8.310 nan 0.000 0.484 73 I N 0.358 120.862 120.570 -0.110 0.000 2.179 73 I HA -0.202 3.968 4.170 -0.000 0.000 0.242 73 I C 2.011 178.182 176.117 0.090 0.000 1.088 73 I CA 1.314 62.562 61.300 -0.088 0.000 1.357 73 I CB -0.437 37.410 38.000 -0.254 0.000 1.051 73 I HN 0.261 nan 8.210 nan 0.000 0.409 74 Y N 0.872 121.207 120.300 0.057 0.000 2.224 74 Y HA -0.184 4.366 4.550 -0.000 0.000 0.289 74 Y C 2.651 178.585 175.900 0.057 0.000 1.146 74 Y CA 0.781 58.907 58.100 0.042 0.000 1.182 74 Y CB -1.340 37.120 38.460 0.000 0.000 0.983 74 Y HN 0.128 nan 8.280 nan 0.000 0.524 75 A N -0.617 122.334 122.820 0.219 0.000 1.930 75 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 75 A C 2.174 179.848 177.584 0.150 0.000 1.175 75 A CA 1.126 53.245 52.037 0.136 0.000 0.627 75 A CB -1.269 17.793 19.000 0.103 0.000 0.815 75 A HN 0.430 nan 8.150 nan 0.000 0.443 76 F N 0.686 120.689 119.950 0.088 0.000 2.102 76 F HA -0.142 4.385 4.527 -0.000 0.000 0.298 76 F C 1.929 177.819 175.800 0.151 0.000 1.105 76 F CA 1.799 59.895 58.000 0.160 0.000 1.239 76 F CB -0.186 38.872 39.000 0.097 0.000 0.991 76 F HN 0.137 nan 8.300 nan 0.000 0.474 77 L N -0.747 120.673 121.223 0.328 0.000 2.083 77 L HA -0.229 4.111 4.340 -0.000 0.000 0.209 77 L C 2.493 179.393 176.870 0.051 0.000 1.083 77 L CA 1.398 56.358 54.840 0.201 0.000 0.752 77 L CB -0.964 41.222 42.059 0.212 0.000 0.899 77 L HN 0.080 nan 8.230 nan 0.000 0.433 78 S N -0.365 115.358 115.700 0.038 0.000 2.382 78 S HA -0.212 4.258 4.470 -0.000 0.000 0.228 78 S C 1.933 176.465 174.600 -0.113 0.000 1.027 78 S CA 1.515 59.697 58.200 -0.029 0.000 0.991 78 S CB -0.222 62.963 63.200 -0.024 0.000 0.823 78 S HN 0.352 nan 8.310 nan 0.000 0.469 79 M N 1.381 120.862 119.600 -0.199 0.000 2.175 79 M HA -0.099 4.381 4.480 -0.000 0.000 0.264 79 M C 1.930 177.949 176.300 -0.470 0.000 1.063 79 M CA 1.369 56.408 55.300 -0.435 0.000 1.119 79 M CB -0.139 32.002 32.600 -0.765 0.000 1.377 79 M HN 0.250 nan 8.290 nan 0.000 0.415 80 E N -0.187 119.831 120.200 -0.303 0.000 2.077 80 E HA -0.259 4.091 4.350 -0.000 0.000 0.193 80 E C 2.032 178.564 176.600 -0.112 0.000 0.989 80 E CA 1.582 57.884 56.400 -0.164 0.000 0.800 80 E CB -0.187 29.484 29.700 -0.048 0.000 0.746 80 E HN 0.679 nan 8.360 nan 0.000 0.452 81 Q N 0.266 120.017 119.800 -0.082 0.000 2.050 81 Q HA -0.155 4.185 4.340 -0.000 0.000 0.202 81 Q C 2.284 178.254 176.000 -0.051 0.000 0.980 81 Q CA 1.400 57.176 55.803 -0.044 0.000 0.840 81 Q CB -0.218 28.504 28.738 -0.028 0.000 0.898 81 Q HN 0.232 nan 8.270 nan 0.000 0.424 82 A N 0.897 123.668 122.820 -0.083 0.000 1.908 82 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 82 A C 2.046 179.610 177.584 -0.033 0.000 1.181 82 A CA 1.220 53.228 52.037 -0.048 0.000 0.627 82 A CB -0.676 18.296 19.000 -0.047 0.000 0.818 82 A HN 0.315 nan 8.150 nan 0.000 0.445 83 I N -0.424 120.073 120.570 -0.120 0.000 2.179 83 I HA -0.287 3.883 4.170 -0.000 0.000 0.242 83 I C 2.998 179.091 176.117 -0.041 0.000 1.088 83 I CA 1.123 62.343 61.300 -0.134 0.000 1.357 83 I CB -0.358 37.430 38.000 -0.353 0.000 1.051 83 I HN 0.371 nan 8.210 nan 0.000 0.409 84 A N 0.231 123.034 122.820 -0.029 0.000 1.902 84 A HA -0.294 4.026 4.320 -0.000 0.000 0.217 84 A C 1.991 179.586 177.584 0.018 0.000 1.181 84 A CA 2.270 54.312 52.037 0.008 0.000 0.623 84 A CB -0.723 18.283 19.000 0.009 0.000 0.818 84 A HN 0.437 nan 8.150 nan 0.000 0.443 85 D N -0.168 120.245 120.400 0.023 0.000 2.144 85 D HA -0.017 4.623 4.640 -0.000 0.000 0.199 85 D C 1.777 178.117 176.300 0.067 0.000 0.984 85 D CA 1.443 55.473 54.000 0.051 0.000 0.834 85 D CB -0.155 40.698 40.800 0.088 0.000 0.955 85 D HN 0.344 nan 8.370 nan 0.000 0.465 86 A N -0.834 122.023 122.820 0.061 0.000 2.238 86 A HA 0.416 4.736 4.320 -0.000 0.000 0.208 86 A C 1.745 179.358 177.584 0.049 0.000 1.177 86 A CA 0.903 52.978 52.037 0.063 0.000 0.804 86 A CB -0.567 18.452 19.000 0.032 0.000 0.823 86 A HN 0.415 nan 8.150 nan 0.000 0.482 87 G N -0.680 108.145 108.800 0.042 0.000 2.249 87 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.273 87 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.273 87 G C -0.055 174.885 174.900 0.068 0.000 1.036 87 G CA 0.428 45.555 45.100 0.045 0.000 0.824 87 G HN 0.467 nan 8.290 nan 0.000 0.504 88 L N 1.547 122.821 121.223 0.086 0.000 2.276 88 L HA 0.522 4.862 4.340 -0.000 0.000 0.286 88 L C 1.179 178.189 176.870 0.235 0.000 1.061 88 L CA -0.235 54.701 54.840 0.159 0.000 0.807 88 L CB 1.470 43.626 42.059 0.161 0.000 1.177 88 L HN 0.418 nan 8.230 nan 0.000 0.429 89 S N 2.521 118.354 115.700 0.222 0.000 2.632 89 S HA 0.414 4.884 4.470 -0.000 0.000 0.271 89 S C -1.987 172.735 174.600 0.203 0.000 1.260 89 S CA -1.309 57.003 58.200 0.187 0.000 1.010 89 S CB 1.501 64.757 63.200 0.093 0.000 0.965 89 S HN 0.348 nan 8.310 nan 0.000 0.534 90 P HA -0.114 nan 4.420 nan 0.000 0.216 90 P C 0.858 177.978 177.300 -0.301 0.000 1.153 90 P CA 1.316 64.273 63.100 -0.239 0.000 0.858 90 P CB -0.037 31.595 31.700 -0.114 0.000 0.789 91 E N -0.905 119.226 120.200 -0.115 0.000 2.338 91 E HA -0.059 4.291 4.350 -0.000 0.000 0.197 91 E C 1.902 178.472 176.600 -0.050 0.000 1.007 91 E CA 1.113 57.461 56.400 -0.088 0.000 0.849 91 E CB -0.883 28.795 29.700 -0.037 0.000 0.774 91 E HN 0.226 nan 8.360 nan 0.000 0.506 92 A N -0.341 122.485 122.820 0.010 0.000 2.095 92 A HA 0.001 4.321 4.320 -0.000 0.000 0.212 92 A C 1.556 179.241 177.584 0.169 0.000 1.162 92 A CA 0.780 52.878 52.037 0.101 0.000 0.753 92 A CB -0.237 18.857 19.000 0.157 0.000 0.840 92 A HN 0.469 nan 8.150 nan 0.000 0.468 93 Y N -2.171 118.174 120.300 0.075 0.000 2.425 93 Y HA 0.447 4.997 4.550 -0.000 0.000 0.261 93 Y C 0.515 176.451 175.900 0.060 0.000 1.084 93 Y CA -0.659 57.503 58.100 0.104 0.000 1.248 93 Y CB -0.090 38.505 38.460 0.225 0.000 1.270 93 Y HN 0.140 nan 8.280 nan 0.000 0.524 94 Q N 2.070 121.502 119.800 -0.614 0.000 2.306 94 Q HA 0.205 4.545 4.340 -0.000 0.000 0.241 94 Q C -0.209 175.586 176.000 -0.342 0.000 0.948 94 Q CA -0.424 55.092 55.803 -0.479 0.000 0.886 94 Q CB 0.453 28.859 28.738 -0.553 0.000 1.227 94 Q HN 0.334 nan 8.270 nan 0.000 0.457 95 N N 1.828 120.223 118.700 -0.509 0.000 2.716 95 N HA -0.207 4.533 4.740 -0.000 0.000 0.250 95 N C -1.152 174.110 175.510 -0.413 0.000 1.033 95 N CA 0.764 53.279 53.050 -0.891 0.000 0.727 95 N CB -1.038 37.166 38.487 -0.471 0.000 0.950 95 N HN 0.558 nan 8.380 nan 0.000 0.541 96 N N 0.087 118.659 118.700 -0.213 0.000 2.483 96 N HA 0.311 5.051 4.740 -0.000 0.000 0.267 96 N C -1.999 173.561 175.510 0.084 0.000 0.998 96 N CA -1.836 51.206 53.050 -0.014 0.000 0.918 96 N CB 1.636 40.131 38.487 0.012 0.000 1.215 96 N HN -0.174 nan 8.380 nan 0.000 0.500 97 P HA 0.004 nan 4.420 nan 0.000 0.223 97 P C 0.767 178.106 177.300 0.066 0.000 1.144 97 P CA 0.841 64.013 63.100 0.120 0.000 0.783 97 P CB 0.416 32.172 31.700 0.095 0.000 0.771 98 R N -1.157 119.367 120.500 0.040 0.000 2.317 98 R HA 0.178 4.518 4.340 -0.000 0.000 0.208 98 R C 0.032 176.313 176.300 -0.031 0.000 0.914 98 R CA 0.131 56.228 56.100 -0.005 0.000 1.060 98 R CB -0.121 30.165 30.300 -0.023 0.000 1.015 98 R HN 0.142 nan 8.270 nan 0.000 0.498 99 V N 0.526 120.453 119.914 0.022 0.000 2.384 99 V HA 0.605 4.725 4.120 -0.000 0.000 0.287 99 V C 0.568 176.712 176.094 0.082 0.000 1.020 99 V CA -0.729 61.595 62.300 0.040 0.000 0.850 99 V CB 1.599 33.511 31.823 0.149 0.000 0.987 99 V HN 0.254 nan 8.190 nan 0.000 0.436 100 G N 3.347 112.168 108.800 0.034 0.000 3.013 100 G HA2 0.838 4.798 3.960 -0.000 0.000 0.278 100 G HA3 0.838 4.798 3.960 -0.000 0.000 0.278 100 G C -1.606 173.340 174.900 0.077 0.000 1.353 100 G CA -0.767 44.352 45.100 0.032 0.000 1.043 100 G HN 0.697 nan 8.290 nan 0.000 0.523 101 L N -0.229 120.985 121.223 -0.014 0.000 2.562 101 L HA 0.645 4.985 4.340 -0.000 0.000 0.266 101 L C -1.591 175.185 176.870 -0.157 0.000 0.949 101 L CA -0.660 54.176 54.840 -0.008 0.000 0.879 101 L CB 1.671 43.750 42.059 0.034 0.000 1.278 101 L HN 0.436 nan 8.230 nan 0.000 0.404 102 I N 5.222 125.702 120.570 -0.150 0.000 2.476 102 I HA 0.756 4.926 4.170 -0.000 0.000 0.281 102 I C -0.483 175.592 176.117 -0.070 0.000 1.040 102 I CA -0.322 60.858 61.300 -0.200 0.000 1.094 102 I CB 1.767 39.620 38.000 -0.246 0.000 1.219 102 I HN 0.665 nan 8.210 nan 0.000 0.450 103 A N 4.266 127.071 122.820 -0.025 0.000 2.547 103 A HA 0.954 5.274 4.320 -0.000 0.000 0.297 103 A C -0.656 176.952 177.584 0.039 0.000 1.056 103 A CA -0.394 51.647 52.037 0.006 0.000 0.688 103 A CB 1.863 20.863 19.000 0.001 0.000 1.282 103 A HN 0.759 nan 8.150 nan 0.000 0.400 104 G N -0.222 108.606 108.800 0.046 0.000 2.870 104 G HA2 0.854 4.814 3.960 -0.000 0.000 0.299 104 G HA3 0.854 4.814 3.960 -0.000 0.000 0.299 104 G C -0.508 174.423 174.900 0.051 0.000 1.324 104 G CA 0.171 45.308 45.100 0.061 0.000 0.808 104 G HN 1.913 nan 8.290 nan 0.000 0.535 105 S N -2.184 113.551 115.700 0.058 0.000 2.618 105 S HA 0.655 5.125 4.470 -0.000 0.000 0.277 105 S C 0.951 175.589 174.600 0.063 0.000 1.138 105 S CA 0.246 58.477 58.200 0.053 0.000 0.844 105 S CB 1.479 64.714 63.200 0.058 0.000 1.127 105 S HN 1.482 nan 8.310 nan 0.000 0.474 106 G N -0.201 108.635 108.800 0.059 0.000 2.430 106 G HA2 0.353 4.313 3.960 -0.000 0.000 0.216 106 G HA3 0.353 4.313 3.960 -0.000 0.000 0.216 106 G C 0.799 175.763 174.900 0.108 0.000 1.146 106 G CA 0.352 45.501 45.100 0.081 0.000 0.793 106 G HN 1.328 nan 8.290 nan 0.000 0.537 107 G N -1.154 107.710 108.800 0.106 0.000 4.110 107 G HA2 0.490 4.450 3.960 -0.000 0.000 0.292 107 G HA3 0.490 4.450 3.960 -0.000 0.000 0.292 107 G C 0.983 175.937 174.900 0.089 0.000 1.020 107 G CA 0.737 45.902 45.100 0.107 0.000 0.808 107 G HN 1.005 nan 8.290 nan 0.000 0.474 108 G N 0.689 109.537 108.800 0.081 0.000 2.646 108 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.324 108 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.324 108 G C 0.519 175.469 174.900 0.083 0.000 1.195 108 G CA 0.876 46.021 45.100 0.076 0.000 0.976 108 G HN 1.550 nan 8.290 nan 0.000 0.546 109 S N 1.399 117.159 115.700 0.100 0.000 2.383 109 S HA 0.640 5.110 4.470 -0.000 0.000 0.196 109 S C -1.321 173.349 174.600 0.117 0.000 1.364 109 S CA 0.001 58.282 58.200 0.134 0.000 1.212 109 S CB 1.781 65.115 63.200 0.224 0.000 1.171 109 S HN 0.247 nan 8.310 nan 0.000 0.456 110 P HA -0.113 nan 4.420 nan 0.000 0.216 110 P C 1.545 178.813 177.300 -0.053 0.000 1.150 110 P CA 0.745 63.843 63.100 -0.003 0.000 0.837 110 P CB 0.130 31.809 31.700 -0.036 0.000 0.786 111 R N -0.857 119.589 120.500 -0.090 0.000 2.083 111 R HA -0.149 4.191 4.340 -0.000 0.000 0.237 111 R C 1.881 178.069 176.300 -0.187 0.000 1.137 111 R CA 1.792 57.764 56.100 -0.213 0.000 0.951 111 R CB -0.966 29.163 30.300 -0.286 0.000 0.851 111 R HN 0.107 nan 8.270 nan 0.000 0.434 112 F N 0.764 120.736 119.950 0.036 0.000 2.456 112 F HA 0.024 4.551 4.527 -0.000 0.000 0.298 112 F C 2.432 178.329 175.800 0.162 0.000 1.104 112 F CA 0.830 58.907 58.000 0.128 0.000 1.435 112 F CB 0.031 39.070 39.000 0.065 0.000 1.078 112 F HN 0.132 nan 8.300 nan 0.000 0.546 113 Q N -0.259 119.670 119.800 0.215 0.000 2.079 113 Q HA -0.136 4.204 4.340 -0.000 0.000 0.200 113 Q C 2.394 178.451 176.000 0.095 0.000 0.974 113 Q CA 1.620 57.507 55.803 0.140 0.000 0.840 113 Q CB -0.385 28.404 28.738 0.085 0.000 0.898 113 Q HN 0.271 nan 8.270 nan 0.000 0.430 114 V N 0.688 120.633 119.914 0.052 0.000 2.358 114 V HA -0.230 3.890 4.120 -0.000 0.000 0.246 114 V C 1.927 178.052 176.094 0.051 0.000 1.047 114 V CA 1.621 63.934 62.300 0.022 0.000 1.035 114 V CB -0.625 31.171 31.823 -0.045 0.000 0.658 114 V HN 0.318 nan 8.190 nan 0.000 0.452 115 F N 2.277 122.195 119.950 -0.054 0.000 2.095 115 F HA -0.093 4.434 4.527 -0.000 0.000 0.298 115 F C 2.179 177.998 175.800 0.030 0.000 1.104 115 F CA 1.794 59.769 58.000 -0.041 0.000 1.232 115 F CB -0.936 37.988 39.000 -0.127 0.000 0.987 115 F HN 0.134 nan 8.300 nan 0.000 0.475 116 G N -0.259 108.528 108.800 -0.021 0.000 2.446 116 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.217 116 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.217 116 G C 1.815 176.622 174.900 -0.155 0.000 1.168 116 G CA 0.950 45.983 45.100 -0.111 0.000 0.771 116 G HN 0.651 nan 8.290 nan 0.000 0.551 117 A N 0.848 123.622 122.820 -0.077 0.000 1.930 117 A HA -0.012 4.308 4.320 -0.000 0.000 0.217 117 A C 2.105 179.634 177.584 -0.092 0.000 1.175 117 A CA 2.072 54.073 52.037 -0.060 0.000 0.627 117 A CB -0.353 18.637 19.000 -0.016 0.000 0.815 117 A HN 0.277 nan 8.150 nan 0.000 0.443 118 D N 0.188 120.515 120.400 -0.121 0.000 2.097 118 D HA -0.042 4.598 4.640 -0.000 0.000 0.195 118 D C 2.265 178.458 176.300 -0.179 0.000 0.989 118 D CA 1.629 55.561 54.000 -0.112 0.000 0.827 118 D CB -0.491 40.263 40.800 -0.076 0.000 0.966 118 D HN 0.398 nan 8.370 nan 0.000 0.456 119 A N 0.606 123.213 122.820 -0.355 0.000 1.902 119 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 119 A C 2.134 179.604 177.584 -0.190 0.000 1.181 119 A CA 1.702 53.531 52.037 -0.347 0.000 0.623 119 A CB -0.538 18.079 19.000 -0.638 0.000 0.818 119 A HN 0.165 nan 8.150 nan 0.000 0.443 120 M N -0.108 119.393 119.600 -0.165 0.000 2.213 120 M HA -0.070 4.410 4.480 -0.000 0.000 0.263 120 M C 1.761 178.023 176.300 -0.065 0.000 1.062 120 M CA 1.493 56.737 55.300 -0.093 0.000 1.105 120 M CB -0.409 32.149 32.600 -0.071 0.000 1.385 120 M HN 0.356 nan 8.290 nan 0.000 0.417 121 R N -0.193 120.268 120.500 -0.065 0.000 2.310 121 R HA 0.232 4.572 4.340 -0.000 0.000 0.202 121 R C 0.992 177.270 176.300 -0.037 0.000 0.933 121 R CA 0.254 56.330 56.100 -0.041 0.000 1.054 121 R CB -0.254 30.027 30.300 -0.031 0.000 0.985 121 R HN 0.454 nan 8.270 nan 0.000 0.489 122 G N 1.023 109.793 108.800 -0.049 0.000 2.537 122 G HA2 0.149 4.109 3.960 -0.000 0.000 0.297 122 G HA3 0.149 4.109 3.960 -0.000 0.000 0.297 122 G C -1.514 173.370 174.900 -0.027 0.000 1.310 122 G CA -0.986 44.092 45.100 -0.036 0.000 1.027 122 G HN -0.084 nan 8.290 nan 0.000 0.505 123 P HA -0.031 nan 4.420 nan 0.000 0.226 123 P C 1.041 178.335 177.300 -0.011 0.000 1.153 123 P CA 0.747 63.840 63.100 -0.011 0.000 0.777 123 P CB 0.371 32.068 31.700 -0.005 0.000 0.794 124 R N -0.953 119.538 120.500 -0.015 0.000 2.334 124 R HA 0.230 4.570 4.340 -0.000 0.000 0.212 124 R C 1.662 177.950 176.300 -0.021 0.000 0.897 124 R CA 0.460 56.552 56.100 -0.012 0.000 1.056 124 R CB -0.172 30.126 30.300 -0.003 0.000 1.046 124 R HN 0.144 nan 8.270 nan 0.000 0.513 125 G N 2.203 110.984 108.800 -0.032 0.000 2.672 125 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.324 125 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.324 125 G C 0.859 175.734 174.900 -0.041 0.000 1.286 125 G CA 0.609 45.686 45.100 -0.038 0.000 1.004 125 G HN 0.221 nan 8.290 nan 0.000 0.548 126 L N 0.562 121.767 121.223 -0.030 0.000 2.127 126 L HA -0.111 4.229 4.340 -0.000 0.000 0.211 126 L C 3.008 179.867 176.870 -0.019 0.000 1.089 126 L CA 2.167 56.992 54.840 -0.026 0.000 0.757 126 L CB -0.485 41.562 42.059 -0.021 0.000 0.899 126 L HN 0.524 nan 8.230 nan 0.000 0.434 127 K N -0.019 120.373 120.400 -0.013 0.000 2.097 127 K HA -0.103 4.217 4.320 -0.000 0.000 0.205 127 K C 2.239 178.850 176.600 0.018 0.000 1.050 127 K CA 1.269 57.555 56.287 -0.001 0.000 0.938 127 K CB -0.196 32.305 32.500 0.002 0.000 0.718 127 K HN 0.292 nan 8.250 nan 0.000 0.442 128 A N 1.022 123.844 122.820 0.003 0.000 1.929 128 A HA -0.065 4.255 4.320 -0.000 0.000 0.216 128 A C 2.344 179.944 177.584 0.028 0.000 1.176 128 A CA 0.943 52.990 52.037 0.017 0.000 0.628 128 A CB -0.442 18.530 19.000 -0.046 0.000 0.816 128 A HN 0.040 nan 8.150 nan 0.000 0.444 129 V N -0.433 119.462 119.914 -0.031 0.000 2.295 129 V HA 0.147 4.267 4.120 -0.000 0.000 0.246 129 V C 1.661 177.851 176.094 0.159 0.000 1.049 129 V CA 1.234 63.537 62.300 0.005 0.000 1.024 129 V CB -1.970 29.841 31.823 -0.021 0.000 0.648 129 V HN 1.272 nan 8.190 nan 0.000 0.447 130 G N 0.438 109.279 108.800 0.069 0.000 2.781 130 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.683 130 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.683 130 G C -1.731 173.113 174.900 -0.092 0.000 1.390 130 G CA -0.074 45.036 45.100 0.017 0.000 0.850 130 G HN 0.335 nan 8.290 nan 0.000 0.557 131 P HA 0.242 nan 4.420 nan 0.000 0.261 131 P C 0.100 177.120 177.300 -0.466 0.000 1.352 131 P CA 0.557 63.413 63.100 -0.406 0.000 0.891 131 P CB -0.001 31.405 31.700 -0.491 0.000 1.383 132 Y N -1.637 118.636 120.300 -0.044 0.000 2.481 132 Y HA 0.119 4.669 4.550 -0.000 0.000 0.247 132 Y C 2.222 178.089 175.900 -0.055 0.000 1.151 132 Y CA -0.169 57.865 58.100 -0.109 0.000 1.238 132 Y CB -0.358 37.916 38.460 -0.309 0.000 1.179 132 Y HN -0.275 nan 8.280 nan 0.000 0.524 133 V N -1.091 118.907 119.914 0.140 0.000 2.427 133 V HA -0.221 3.899 4.120 -0.000 0.000 0.248 133 V C 2.099 178.260 176.094 0.111 0.000 1.051 133 V CA 1.586 63.983 62.300 0.162 0.000 1.048 133 V CB -0.660 31.313 31.823 0.249 0.000 0.666 133 V HN 0.229 nan 8.190 nan 0.000 0.456 134 V N 1.153 121.126 119.914 0.099 0.000 2.295 134 V HA -0.271 3.849 4.120 -0.000 0.000 0.246 134 V C 2.804 178.946 176.094 0.081 0.000 1.049 134 V CA 2.622 64.974 62.300 0.085 0.000 1.024 134 V CB -1.311 30.556 31.823 0.073 0.000 0.648 134 V HN 0.817 nan 8.190 nan 0.000 0.447 135 T N -2.110 112.510 114.554 0.111 0.000 2.962 135 T HA -0.151 4.199 4.350 -0.000 0.000 0.270 135 T C 1.685 176.400 174.700 0.025 0.000 1.088 135 T CA 1.238 63.398 62.100 0.099 0.000 1.127 135 T CB -0.208 68.787 68.868 0.212 0.000 0.883 135 T HN 0.495 nan 8.240 nan 0.000 0.493 136 K N 0.922 121.297 120.400 -0.042 0.000 2.128 136 K HA 0.388 4.708 4.320 -0.000 0.000 0.202 136 K C 2.668 179.253 176.600 -0.024 0.000 1.050 136 K CA 0.840 57.019 56.287 -0.180 0.000 0.966 136 K CB -0.112 32.022 32.500 -0.610 0.000 0.759 136 K HN 0.378 nan 8.250 nan 0.000 0.454 137 A N 2.026 124.882 122.820 0.060 0.000 2.081 137 A HA 0.070 4.390 4.320 -0.000 0.000 0.214 137 A C 1.270 178.903 177.584 0.082 0.000 1.158 137 A CA -0.020 52.085 52.037 0.114 0.000 0.724 137 A CB -0.453 18.638 19.000 0.152 0.000 0.826 137 A HN 0.332 nan 8.150 nan 0.000 0.463 138 M N -1.600 118.040 119.600 0.065 0.000 2.252 138 M HA 0.474 4.954 4.480 -0.000 0.000 0.333 138 M C 0.960 177.295 176.300 0.058 0.000 1.111 138 M CA 0.427 55.762 55.300 0.059 0.000 1.140 138 M CB 0.507 33.138 32.600 0.053 0.000 1.538 138 M HN 0.059 nan 8.290 nan 0.000 0.448 139 A N 2.167 125.022 122.820 0.059 0.000 1.978 139 A HA -0.123 4.197 4.320 -0.000 0.000 0.220 139 A C 2.067 179.689 177.584 0.064 0.000 1.170 139 A CA 2.066 54.140 52.037 0.062 0.000 0.636 139 A CB -1.006 18.030 19.000 0.060 0.000 0.810 139 A HN 1.022 nan 8.150 nan 0.000 0.448 140 S N -0.877 114.861 115.700 0.063 0.000 2.634 140 S HA 0.284 4.754 4.470 -0.000 0.000 0.221 140 S C 1.676 176.311 174.600 0.058 0.000 0.952 140 S CA 0.614 58.856 58.200 0.069 0.000 0.930 140 S CB -0.403 62.842 63.200 0.075 0.000 0.780 140 S HN 0.611 nan 8.310 nan 0.000 0.498 141 G N 2.347 111.176 108.800 0.049 0.000 2.513 141 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.219 141 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.219 141 G C 1.321 176.244 174.900 0.039 0.000 1.160 141 G CA 1.333 46.454 45.100 0.036 0.000 0.767 141 G HN 0.479 nan 8.290 nan 0.000 0.571 142 V N 1.814 121.756 119.914 0.047 0.000 2.255 142 V HA -0.241 3.879 4.120 -0.000 0.000 0.247 142 V C 3.305 179.438 176.094 0.065 0.000 1.051 142 V CA 2.638 64.972 62.300 0.057 0.000 1.018 142 V CB -0.772 31.084 31.823 0.055 0.000 0.641 142 V HN 0.651 nan 8.190 nan 0.000 0.445 143 S N 0.965 116.700 115.700 0.058 0.000 2.368 143 S HA -0.124 4.346 4.470 -0.000 0.000 0.224 143 S C 2.128 176.762 174.600 0.057 0.000 1.029 143 S CA 1.286 59.517 58.200 0.051 0.000 0.988 143 S CB -0.637 62.592 63.200 0.048 0.000 0.838 143 S HN 0.581 nan 8.310 nan 0.000 0.462 144 A N 0.921 123.771 122.820 0.049 0.000 1.877 144 A HA -0.067 4.252 4.320 -0.000 0.000 0.216 144 A C 2.410 180.003 177.584 0.015 0.000 1.186 144 A CA 1.536 53.589 52.037 0.026 0.000 0.620 144 A CB -1.493 17.515 19.000 0.013 0.000 0.822 144 A HN 0.702 nan 8.150 nan 0.000 0.443 145 C N -1.193 118.126 119.300 0.031 0.000 2.472 145 C HA 0.141 4.601 4.460 -0.000 0.000 0.278 145 C C 2.276 177.339 174.990 0.122 0.000 1.447 145 C CA 0.697 59.734 59.018 0.030 0.000 1.773 145 C CB -1.302 26.452 27.740 0.024 0.000 1.793 145 C HN 0.529 nan 8.230 nan 0.000 0.544 146 L N 0.350 121.682 121.223 0.182 0.000 2.362 146 L HA 0.266 4.606 4.340 -0.000 0.000 0.204 146 L C 2.640 179.695 176.870 0.307 0.000 1.060 146 L CA 1.551 56.599 54.840 0.346 0.000 0.827 146 L CB -1.204 41.023 42.059 0.281 0.000 1.027 146 L HN 0.142 nan 8.230 nan 0.000 0.474 147 A N -0.730 122.188 122.820 0.163 0.000 1.940 147 A HA -0.213 4.107 4.320 -0.000 0.000 0.219 147 A C 2.298 179.959 177.584 0.129 0.000 1.176 147 A CA 2.525 54.645 52.037 0.137 0.000 0.631 147 A CB -1.022 18.028 19.000 0.083 0.000 0.814 147 A HN 0.423 nan 8.150 nan 0.000 0.446 148 T N 0.415 115.011 114.554 0.069 0.000 2.668 148 T HA -0.070 4.280 4.350 -0.000 0.000 0.262 148 T C -0.015 174.691 174.700 0.011 0.000 1.045 148 T CA 1.641 63.750 62.100 0.016 0.000 1.152 148 T CB -1.138 67.685 68.868 -0.075 0.000 0.864 148 T HN 0.523 nan 8.240 nan 0.000 0.419 149 P HA -0.024 nan 4.420 nan 0.000 0.218 149 P C 0.885 178.105 177.300 -0.134 0.000 1.149 149 P CA 1.134 64.178 63.100 -0.094 0.000 0.817 149 P CB -0.281 31.352 31.700 -0.112 0.000 0.785 150 F N 0.338 120.330 119.950 0.070 0.000 2.804 150 F HA 0.145 4.672 4.527 -0.000 0.000 0.303 150 F C 0.877 176.703 175.800 0.043 0.000 1.154 150 F CA -0.027 58.010 58.000 0.061 0.000 1.401 150 F CB -0.206 38.771 39.000 -0.037 0.000 1.106 150 F HN -0.223 nan 8.300 nan 0.000 0.568 151 K N 0.443 120.925 120.400 0.137 0.000 3.096 151 K HA -0.201 4.119 4.320 -0.000 0.000 0.266 151 K C -0.400 176.237 176.600 0.062 0.000 1.043 151 K CA 0.341 56.660 56.287 0.052 0.000 0.758 151 K CB -2.327 30.125 32.500 -0.079 0.000 1.260 151 K HN 0.200 nan 8.250 nan 0.000 0.481 152 I N 1.196 121.869 120.570 0.172 0.000 2.496 152 I HA 0.023 4.193 4.170 -0.000 0.000 0.285 152 I C 1.942 178.228 176.117 0.282 0.000 1.080 152 I CA 0.349 61.763 61.300 0.190 0.000 1.404 152 I CB 0.329 38.433 38.000 0.173 0.000 1.403 152 I HN 0.247 nan 8.210 nan 0.000 0.539 153 H N 3.252 122.361 119.070 0.066 0.000 2.874 153 H HA 0.177 4.733 4.556 -0.000 0.000 0.264 153 H C 1.341 176.690 175.328 0.035 0.000 1.007 153 H CA -0.004 56.068 56.048 0.041 0.000 1.207 153 H CB 1.388 31.168 29.762 0.030 0.000 1.487 153 H HN 0.770 nan 8.280 nan 0.000 0.505 154 G N 1.073 109.966 108.800 0.156 0.000 2.783 154 G HA2 0.216 4.176 3.960 -0.000 0.000 0.182 154 G HA3 0.216 4.176 3.960 -0.000 0.000 0.182 154 G C 0.157 175.086 174.900 0.048 0.000 1.516 154 G CA 0.049 45.197 45.100 0.081 0.000 1.079 154 G HN 0.121 nan 8.290 nan 0.000 0.573 155 V N -0.727 119.191 119.914 0.007 0.000 2.872 155 V HA 0.426 4.546 4.120 -0.000 0.000 0.307 155 V C -0.220 175.807 176.094 -0.111 0.000 1.072 155 V CA -0.222 62.056 62.300 -0.036 0.000 1.148 155 V CB 1.038 32.798 31.823 -0.106 0.000 0.954 155 V HN 0.765 nan 8.190 nan 0.000 0.490 156 N N 3.388 122.025 118.700 -0.105 0.000 2.599 156 N HA 0.536 5.276 4.740 -0.000 0.000 0.283 156 N C -1.173 174.350 175.510 0.022 0.000 1.160 156 N CA -0.546 52.452 53.050 -0.087 0.000 0.869 156 N CB 1.215 39.717 38.487 0.025 0.000 1.448 156 N HN 1.029 nan 8.380 nan 0.000 0.535 157 Y N -1.073 119.248 120.300 0.035 0.000 2.814 157 Y HA 0.645 5.195 4.550 -0.000 0.000 0.348 157 Y C -1.356 174.562 175.900 0.031 0.000 1.245 157 Y CA -1.187 56.931 58.100 0.029 0.000 1.086 157 Y CB 0.330 38.803 38.460 0.023 0.000 1.373 157 Y HN 0.134 nan 8.280 nan 0.000 0.451 158 S N 1.292 117.178 115.700 0.310 0.000 2.578 158 S HA 0.740 5.210 4.470 -0.000 0.000 0.301 158 S C -0.928 173.815 174.600 0.238 0.000 1.091 158 S CA -0.777 57.545 58.200 0.203 0.000 1.032 158 S CB 1.329 64.604 63.200 0.125 0.000 1.064 158 S HN 0.524 nan 8.310 nan 0.000 0.508 159 I N 1.810 122.490 120.570 0.184 0.000 2.404 159 I HA 0.442 4.612 4.170 -0.000 0.000 0.293 159 I C -0.194 175.996 176.117 0.122 0.000 0.992 159 I CA -0.335 61.058 61.300 0.155 0.000 1.149 159 I CB 1.972 40.077 38.000 0.175 0.000 1.315 159 I HN 0.488 nan 8.210 nan 0.000 0.446 160 S N 3.596 119.356 115.700 0.100 0.000 2.519 160 S HA 0.609 5.079 4.470 -0.000 0.000 0.309 160 S C -0.234 174.432 174.600 0.109 0.000 1.100 160 S CA -0.381 57.879 58.200 0.099 0.000 1.059 160 S CB 0.950 64.200 63.200 0.083 0.000 1.008 160 S HN 0.684 nan 8.310 nan 0.000 0.478 161 S N 3.004 118.789 115.700 0.143 0.000 2.589 161 S HA 0.601 5.071 4.470 -0.000 0.000 0.210 161 S C 0.578 175.274 174.600 0.159 0.000 0.803 161 S CA -0.018 58.287 58.200 0.176 0.000 1.061 161 S CB -0.349 63.037 63.200 0.310 0.000 1.637 161 S HN 1.928 nan 8.310 nan 0.000 0.462 162 A N 0.824 123.718 122.820 0.123 0.000 5.483 162 A HA -0.344 3.976 4.320 -0.000 0.000 0.309 162 A C 1.733 179.342 177.584 0.041 0.000 1.898 162 A CA 1.264 53.353 52.037 0.086 0.000 0.716 162 A CB -2.252 16.799 19.000 0.085 0.000 1.309 162 A HN 1.503 nan 8.150 nan 0.000 0.380 163 C N 0.083 119.393 119.300 0.017 0.000 2.409 163 C HA 0.273 4.733 4.460 -0.000 0.000 0.288 163 C C 2.761 177.769 174.990 0.031 0.000 1.395 163 C CA 1.370 60.426 59.018 0.063 0.000 1.792 163 C CB -1.965 25.914 27.740 0.232 0.000 1.847 163 C HN 1.443 nan 8.230 nan 0.000 0.534 164 A N -0.055 122.779 122.820 0.022 0.000 2.348 164 A HA 0.140 4.460 4.320 -0.000 0.000 0.224 164 A C 1.878 179.461 177.584 -0.001 0.000 1.227 164 A CA 0.843 52.846 52.037 -0.057 0.000 0.885 164 A CB -0.588 18.357 19.000 -0.091 0.000 0.933 164 A HN 0.454 nan 8.150 nan 0.000 0.506 165 T N 1.527 116.130 114.554 0.080 0.000 2.531 165 T HA -0.269 4.081 4.350 -0.000 0.000 0.261 165 T C 2.261 177.003 174.700 0.069 0.000 1.141 165 T CA 2.744 64.909 62.100 0.109 0.000 1.176 165 T CB -0.556 68.352 68.868 0.067 0.000 0.863 165 T HN 0.804 nan 8.240 nan 0.000 0.424 166 S N 1.570 117.271 115.700 0.001 0.000 2.474 166 S HA 0.159 4.629 4.470 -0.000 0.000 0.235 166 S C 2.258 176.826 174.600 -0.054 0.000 0.997 166 S CA 0.791 58.975 58.200 -0.026 0.000 0.949 166 S CB -0.450 62.715 63.200 -0.058 0.000 0.766 166 S HN 0.569 nan 8.310 nan 0.000 0.517 167 A N 1.808 124.579 122.820 -0.081 0.000 1.897 167 A HA 0.012 4.332 4.320 -0.000 0.000 0.215 167 A C 1.924 179.458 177.584 -0.083 0.000 1.181 167 A CA 1.285 53.249 52.037 -0.121 0.000 0.620 167 A CB -1.012 17.878 19.000 -0.184 0.000 0.821 167 A HN 0.668 nan 8.150 nan 0.000 0.443 168 H N -1.571 117.532 119.070 0.054 0.000 2.423 168 H HA -0.125 4.431 4.556 -0.000 0.000 0.297 168 H C 2.188 177.509 175.328 -0.011 0.000 1.075 168 H CA 1.229 57.335 56.048 0.097 0.000 1.342 168 H CB -0.150 29.695 29.762 0.138 0.000 1.395 168 H HN 0.539 nan 8.280 nan 0.000 0.530 169 C N 0.263 119.619 119.300 0.093 0.000 2.432 169 C HA -0.142 4.318 4.460 -0.000 0.000 0.277 169 C C 2.684 177.626 174.990 -0.079 0.000 1.249 169 C CA 0.815 59.847 59.018 0.022 0.000 1.725 169 C CB -0.811 26.934 27.740 0.008 0.000 2.028 169 C HN 0.526 nan 8.230 nan 0.000 0.477 170 I N 1.109 121.602 120.570 -0.128 0.000 2.179 170 I HA -0.119 4.051 4.170 -0.000 0.000 0.242 170 I C 2.738 178.652 176.117 -0.339 0.000 1.088 170 I CA 1.837 63.020 61.300 -0.195 0.000 1.357 170 I CB -0.971 36.922 38.000 -0.178 0.000 1.051 170 I HN 0.451 nan 8.210 nan 0.000 0.409 171 G N 0.584 109.026 108.800 -0.596 0.000 2.418 171 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.217 171 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.217 171 G C 1.498 175.968 174.900 -0.717 0.000 1.158 171 G CA 0.727 44.972 45.100 -1.424 0.000 0.771 171 G HN 0.340 nan 8.290 nan 0.000 0.545 172 N N 1.098 119.630 118.700 -0.280 0.000 2.244 172 N HA -0.055 4.685 4.740 -0.000 0.000 0.183 172 N C 2.524 177.999 175.510 -0.058 0.000 1.016 172 N CA 1.116 54.147 53.050 -0.031 0.000 0.866 172 N CB -0.121 38.429 38.487 0.104 0.000 0.980 172 N HN 0.253 nan 8.380 nan 0.000 0.430 173 A N 0.673 123.419 122.820 -0.123 0.000 1.902 173 A HA -0.062 4.258 4.320 -0.000 0.000 0.217 173 A C 2.490 180.004 177.584 -0.118 0.000 1.181 173 A CA 1.157 53.120 52.037 -0.124 0.000 0.623 173 A CB -0.739 18.171 19.000 -0.149 0.000 0.818 173 A HN 0.148 nan 8.150 nan 0.000 0.443 174 V N 0.202 120.025 119.914 -0.152 0.000 2.287 174 V HA -0.303 3.817 4.120 -0.000 0.000 0.248 174 V C 2.406 178.471 176.094 -0.049 0.000 1.053 174 V CA 2.397 64.630 62.300 -0.111 0.000 1.027 174 V CB -0.919 30.820 31.823 -0.139 0.000 0.646 174 V HN 0.650 nan 8.190 nan 0.000 0.447 175 E N -0.561 119.625 120.200 -0.024 0.000 2.110 175 E HA -0.243 4.107 4.350 -0.000 0.000 0.193 175 E C 2.401 179.013 176.600 0.019 0.000 0.988 175 E CA 1.112 57.533 56.400 0.035 0.000 0.804 175 E CB -0.166 29.586 29.700 0.088 0.000 0.745 175 E HN 0.540 nan 8.360 nan 0.000 0.458 176 Q N 0.257 120.059 119.800 0.003 0.000 2.124 176 Q HA -0.137 4.203 4.340 -0.000 0.000 0.202 176 Q C 2.256 178.244 176.000 -0.020 0.000 0.977 176 Q CA 1.113 56.917 55.803 0.000 0.000 0.850 176 Q CB -0.127 28.600 28.738 -0.017 0.000 0.901 176 Q HN 0.432 nan 8.270 nan 0.000 0.429 177 I N 0.493 121.039 120.570 -0.040 0.000 2.286 177 I HA -0.264 3.906 4.170 -0.000 0.000 0.245 177 I C 2.354 178.458 176.117 -0.023 0.000 1.104 177 I CA 0.895 62.166 61.300 -0.047 0.000 1.397 177 I CB -0.269 37.690 38.000 -0.069 0.000 1.072 177 I HN 0.218 nan 8.210 nan 0.000 0.417 178 Q N 0.620 120.415 119.800 -0.009 0.000 2.181 178 Q HA -0.167 4.173 4.340 -0.000 0.000 0.205 178 Q C 2.181 178.187 176.000 0.009 0.000 0.980 178 Q CA 1.291 57.097 55.803 0.005 0.000 0.862 178 Q CB -0.117 28.633 28.738 0.020 0.000 0.905 178 Q HN 0.535 nan 8.270 nan 0.000 0.429 179 L N -0.607 120.623 121.223 0.010 0.000 2.552 179 L HA 0.045 4.385 4.340 -0.000 0.000 0.227 179 L C 1.187 178.061 176.870 0.007 0.000 1.146 179 L CA 0.431 55.279 54.840 0.013 0.000 0.858 179 L CB -0.245 41.826 42.059 0.020 0.000 0.969 179 L HN 0.435 nan 8.230 nan 0.000 0.451 180 G N 0.180 108.980 108.800 -0.001 0.000 2.153 180 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.252 180 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.252 180 G C 0.997 175.894 174.900 -0.005 0.000 0.994 180 G CA 0.638 45.735 45.100 -0.004 0.000 0.698 180 G HN 0.403 nan 8.290 nan 0.000 0.521 181 K N -0.934 119.463 120.400 -0.004 0.000 2.243 181 K HA 0.101 4.421 4.320 -0.000 0.000 0.201 181 K C 0.958 177.550 176.600 -0.014 0.000 1.051 181 K CA 0.787 57.074 56.287 -0.000 0.000 0.970 181 K CB 0.084 32.592 32.500 0.013 0.000 0.755 181 K HN 0.434 nan 8.250 nan 0.000 0.465 182 Q N -0.322 119.455 119.800 -0.038 0.000 2.421 182 Q HA 0.147 4.487 4.340 -0.000 0.000 0.280 182 Q C -0.538 175.392 176.000 -0.118 0.000 1.085 182 Q CA -0.355 55.406 55.803 -0.070 0.000 0.807 182 Q CB 2.018 30.710 28.738 -0.077 0.000 1.405 182 Q HN -0.046 nan 8.270 nan 0.000 0.419 183 D N 0.239 120.526 120.400 -0.189 0.000 2.324 183 D HA 0.279 4.919 4.640 -0.000 0.000 0.212 183 D C 0.274 176.339 176.300 -0.390 0.000 0.984 183 D CA 0.787 54.588 54.000 -0.331 0.000 0.885 183 D CB 1.360 41.821 40.800 -0.566 0.000 0.996 183 D HN 0.361 nan 8.370 nan 0.000 0.505 184 I N 0.679 121.048 120.570 -0.335 0.000 2.619 184 I HA 0.273 4.443 4.170 -0.000 0.000 0.292 184 I C -1.217 174.704 176.117 -0.328 0.000 1.100 184 I CA -0.790 60.292 61.300 -0.362 0.000 1.043 184 I CB 3.353 41.105 38.000 -0.412 0.000 1.239 184 I HN -0.412 nan 8.210 nan 0.000 0.420 185 V N 5.657 125.343 119.914 -0.380 0.000 2.612 185 V HA 0.389 4.509 4.120 -0.000 0.000 0.301 185 V C -0.780 175.088 176.094 -0.376 0.000 1.059 185 V CA -0.601 61.526 62.300 -0.289 0.000 0.886 185 V CB 1.856 33.569 31.823 -0.184 0.000 1.007 185 V HN 0.379 nan 8.190 nan 0.000 0.426 186 F N 3.342 123.186 119.950 -0.177 0.000 2.438 186 F HA 0.698 5.225 4.527 -0.000 0.000 0.356 186 F C 0.729 176.422 175.800 -0.179 0.000 1.099 186 F CA 0.031 57.907 58.000 -0.207 0.000 1.185 186 F CB 1.219 40.053 39.000 -0.276 0.000 1.115 186 F HN 0.586 nan 8.300 nan 0.000 0.526 187 A N 2.405 125.207 122.820 -0.030 0.000 2.414 187 A HA 0.940 5.260 4.320 -0.000 0.000 0.306 187 A C -0.047 177.500 177.584 -0.060 0.000 1.054 187 A CA 0.088 52.088 52.037 -0.061 0.000 0.724 187 A CB 1.517 20.454 19.000 -0.104 0.000 1.267 187 A HN 1.045 nan 8.150 nan 0.000 0.418 188 G N -0.331 108.439 108.800 -0.051 0.000 2.512 188 G HA2 0.730 4.690 3.960 -0.000 0.000 0.181 188 G HA3 0.730 4.690 3.960 -0.000 0.000 0.181 188 G C -0.075 174.807 174.900 -0.031 0.000 1.173 188 G CA 0.502 45.569 45.100 -0.056 0.000 0.988 188 G HN 2.423 nan 8.290 nan 0.000 0.485 189 G N -2.116 106.669 108.800 -0.024 0.000 2.320 189 G HA2 0.783 4.743 3.960 -0.000 0.000 0.296 189 G HA3 0.783 4.743 3.960 -0.000 0.000 0.296 189 G C -0.516 174.395 174.900 0.019 0.000 1.306 189 G CA 0.722 45.824 45.100 0.003 0.000 0.836 189 G HN 2.111 nan 8.290 nan 0.000 0.517 190 G N -1.293 107.533 108.800 0.043 0.000 2.692 190 G HA2 0.688 4.648 3.960 -0.000 0.000 0.291 190 G HA3 0.688 4.648 3.960 -0.000 0.000 0.291 190 G C -1.955 172.995 174.900 0.084 0.000 1.423 190 G CA -0.279 44.876 45.100 0.091 0.000 0.843 190 G HN 0.712 nan 8.290 nan 0.000 0.486 191 E N -0.220 120.064 120.200 0.139 0.000 2.311 191 E HA 0.356 4.706 4.350 -0.000 0.000 0.281 191 E C -0.328 176.385 176.600 0.190 0.000 0.905 191 E CA -0.670 55.791 56.400 0.102 0.000 0.778 191 E CB 1.489 31.197 29.700 0.014 0.000 1.240 191 E HN 0.702 nan 8.360 nan 0.000 0.410 192 E N 3.053 123.331 120.200 0.131 0.000 2.349 192 E HA 0.421 4.771 4.350 -0.000 0.000 0.262 192 E C -0.750 175.913 176.600 0.104 0.000 1.088 192 E CA -0.844 55.634 56.400 0.131 0.000 0.899 192 E CB 1.172 30.902 29.700 0.050 0.000 1.044 192 E HN 0.242 nan 8.360 nan 0.000 0.420 193 L N 2.755 124.019 121.223 0.068 0.000 2.316 193 L HA 0.420 4.760 4.340 -0.000 0.000 0.280 193 L C -1.241 175.669 176.870 0.068 0.000 1.006 193 L CA -0.336 54.499 54.840 -0.007 0.000 0.836 193 L CB 0.707 42.591 42.059 -0.291 0.000 1.221 193 L HN 0.922 nan 8.230 nan 0.000 0.418 194 C N 2.029 121.433 119.300 0.173 0.000 3.239 194 C HA 0.448 4.908 4.460 -0.000 0.000 0.329 194 C C 1.089 176.192 174.990 0.189 0.000 1.252 194 C CA -1.054 58.068 59.018 0.173 0.000 1.323 194 C CB 0.774 28.483 27.740 -0.052 0.000 1.663 194 C HN 1.017 nan 8.230 nan 0.000 0.487 195 W N 0.907 122.328 121.300 0.203 0.000 2.402 195 W HA 0.032 4.692 4.660 -0.000 0.000 0.286 195 W C 1.054 177.650 176.519 0.128 0.000 1.221 195 W CA 1.738 59.168 57.345 0.142 0.000 1.257 195 W CB -1.061 28.441 29.460 0.071 0.000 1.120 195 W HN 0.869 nan 8.180 nan 0.000 0.551 196 E N 0.868 120.412 120.200 -1.093 0.000 2.097 196 E HA -0.272 4.077 4.350 -0.000 0.000 0.196 196 E C 2.361 178.791 176.600 -0.284 0.000 1.000 196 E CA 2.843 58.628 56.400 -1.026 0.000 0.804 196 E CB -0.692 28.477 29.700 -0.884 0.000 0.740 196 E HN 0.358 nan 8.360 nan 0.000 0.454 197 M N -0.668 118.875 119.600 -0.096 0.000 2.325 197 M HA 0.097 4.577 4.480 -0.000 0.000 0.265 197 M C 2.103 178.572 176.300 0.283 0.000 1.094 197 M CA 1.216 56.578 55.300 0.104 0.000 1.161 197 M CB 0.107 32.805 32.600 0.164 0.000 1.358 197 M HN 0.161 nan 8.290 nan 0.000 0.446 198 A N 0.539 123.539 122.820 0.299 0.000 1.940 198 A HA -0.233 4.087 4.320 -0.000 0.000 0.219 198 A C 2.329 180.116 177.584 0.339 0.000 1.176 198 A CA 1.824 54.089 52.037 0.379 0.000 0.631 198 A CB -1.738 17.455 19.000 0.322 0.000 0.814 198 A HN 0.875 nan 8.150 nan 0.000 0.446 199 C N -0.602 118.873 119.300 0.292 0.000 2.419 199 C HA -0.031 4.429 4.460 -0.000 0.000 0.281 199 C C 2.132 177.233 174.990 0.184 0.000 1.336 199 C CA 0.986 60.157 59.018 0.256 0.000 1.770 199 C CB -1.506 26.435 27.740 0.336 0.000 1.929 199 C HN 0.653 nan 8.230 nan 0.000 0.509 200 E N 0.363 120.646 120.200 0.139 0.000 2.106 200 E HA -0.083 4.267 4.350 -0.000 0.000 0.192 200 E C 1.751 178.337 176.600 -0.023 0.000 0.984 200 E CA 1.376 57.779 56.400 0.006 0.000 0.806 200 E CB -0.303 29.328 29.700 -0.114 0.000 0.750 200 E HN 0.765 nan 8.360 nan 0.000 0.458 201 F N 1.135 121.192 119.950 0.179 0.000 2.206 201 F HA -0.119 4.408 4.527 -0.000 0.000 0.298 201 F C 2.204 178.065 175.800 0.102 0.000 1.090 201 F CA 0.999 59.121 58.000 0.204 0.000 1.323 201 F CB -0.079 39.060 39.000 0.233 0.000 1.028 201 F HN -0.031 nan 8.300 nan 0.000 0.492 202 D N 0.185 120.725 120.400 0.234 0.000 2.178 202 D HA -0.103 4.537 4.640 -0.000 0.000 0.202 202 D C 2.228 178.591 176.300 0.104 0.000 0.974 202 D CA 1.121 55.197 54.000 0.127 0.000 0.841 202 D CB -0.160 40.709 40.800 0.114 0.000 0.953 202 D HN 0.163 nan 8.370 nan 0.000 0.478 203 A N 0.684 123.566 122.820 0.104 0.000 2.070 203 A HA -0.107 4.213 4.320 -0.000 0.000 0.220 203 A C 2.182 179.803 177.584 0.062 0.000 1.159 203 A CA 1.585 53.665 52.037 0.073 0.000 0.656 203 A CB -0.719 18.318 19.000 0.062 0.000 0.800 203 A HN 0.507 nan 8.150 nan 0.000 0.453 204 M N -3.167 116.482 119.600 0.082 0.000 2.383 204 M HA 0.455 4.935 4.480 -0.000 0.000 0.247 204 M C 1.011 177.370 176.300 0.097 0.000 1.117 204 M CA 0.637 55.982 55.300 0.075 0.000 0.995 204 M CB 0.077 32.721 32.600 0.072 0.000 1.480 204 M HN 0.567 nan 8.290 nan 0.000 0.485 205 G N 1.084 109.943 108.800 0.098 0.000 2.198 205 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.260 205 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.260 205 G C 0.711 175.676 174.900 0.109 0.000 1.025 205 G CA 0.379 45.529 45.100 0.083 0.000 0.769 205 G HN 0.776 nan 8.290 nan 0.000 0.507 206 A N -1.031 121.886 122.820 0.161 0.000 2.132 206 A HA 0.640 4.960 4.320 -0.000 0.000 0.213 206 A C 1.294 178.823 177.584 -0.091 0.000 1.154 206 A CA 0.680 52.846 52.037 0.214 0.000 0.753 206 A CB 0.163 19.506 19.000 0.573 0.000 0.826 206 A HN 0.646 nan 8.150 nan 0.000 0.469 207 L N 0.068 121.171 121.223 -0.199 0.000 2.379 207 L HA 0.337 4.677 4.340 -0.000 0.000 0.269 207 L C 0.753 177.545 176.870 -0.130 0.000 1.084 207 L CA -0.558 54.071 54.840 -0.352 0.000 0.802 207 L CB 1.486 43.372 42.059 -0.287 0.000 1.175 207 L HN 0.163 nan 8.230 nan 0.000 0.448 208 S N 0.185 115.826 115.700 -0.099 0.000 2.549 208 S HA 0.140 4.610 4.470 -0.000 0.000 0.283 208 S C 0.739 175.347 174.600 0.013 0.000 1.320 208 S CA 0.167 58.382 58.200 0.024 0.000 1.058 208 S CB 0.397 63.639 63.200 0.070 0.000 0.882 208 S HN 0.828 nan 8.310 nan 0.000 0.498 209 T N 1.370 115.940 114.554 0.026 0.000 3.130 209 T HA 0.339 4.689 4.350 -0.000 0.000 0.288 209 T C 0.839 175.498 174.700 -0.068 0.000 0.936 209 T CA -0.466 61.602 62.100 -0.054 0.000 0.897 209 T CB -0.078 68.746 68.868 -0.074 0.000 1.178 209 T HN 0.599 nan 8.240 nan 0.000 0.543 210 K N 0.218 120.597 120.400 -0.035 0.000 2.393 210 K HA 0.227 4.547 4.320 -0.000 0.000 0.193 210 K C -0.239 176.116 176.600 -0.408 0.000 1.026 210 K CA 0.392 56.537 56.287 -0.237 0.000 1.064 210 K CB 0.179 32.467 32.500 -0.353 0.000 0.833 210 K HN 0.438 nan 8.250 nan 0.000 0.521 211 Y N 0.180 120.477 120.300 -0.006 0.000 2.720 211 Y HA 0.208 4.758 4.550 -0.000 0.000 0.268 211 Y C 0.859 176.776 175.900 0.028 0.000 1.142 211 Y CA -0.690 57.416 58.100 0.011 0.000 1.193 211 Y CB -0.016 38.457 38.460 0.021 0.000 1.176 211 Y HN -0.008 nan 8.280 nan 0.000 0.542 212 N N 0.643 119.408 118.700 0.108 0.000 2.289 212 N HA -0.165 4.575 4.740 -0.000 0.000 0.184 212 N C 0.929 176.539 175.510 0.166 0.000 1.016 212 N CA 1.442 54.587 53.050 0.157 0.000 0.872 212 N CB 0.042 38.592 38.487 0.106 0.000 0.973 212 N HN 0.483 nan 8.380 nan 0.000 0.433 213 D N -0.138 120.311 120.400 0.082 0.000 2.317 213 D HA -0.034 4.606 4.640 -0.000 0.000 0.211 213 D C 0.490 176.824 176.300 0.056 0.000 0.966 213 D CA 0.886 54.904 54.000 0.030 0.000 0.876 213 D CB 0.105 40.903 40.800 -0.002 0.000 0.927 213 D HN 0.334 nan 8.370 nan 0.000 0.519 214 T N -2.020 112.604 114.554 0.116 0.000 3.410 214 T HA 0.322 4.672 4.350 -0.000 0.000 0.328 214 T C -2.330 172.457 174.700 0.144 0.000 1.567 214 T CA -1.656 60.517 62.100 0.121 0.000 1.626 214 T CB 1.807 70.758 68.868 0.139 0.000 0.939 214 T HN -0.294 nan 8.240 nan 0.000 0.656 215 P HA -0.196 nan 4.420 nan 0.000 0.218 215 P C 1.369 178.725 177.300 0.094 0.000 1.154 215 P CA 1.431 64.619 63.100 0.147 0.000 0.872 215 P CB 0.121 31.930 31.700 0.181 0.000 0.790 216 E N -0.908 119.335 120.200 0.071 0.000 2.409 216 E HA -0.120 4.230 4.350 -0.000 0.000 0.198 216 E C 1.192 177.787 176.600 -0.008 0.000 1.024 216 E CA 0.649 57.070 56.400 0.034 0.000 0.861 216 E CB -0.172 29.546 29.700 0.030 0.000 0.788 216 E HN 0.303 nan 8.360 nan 0.000 0.521 217 K N -0.288 120.102 120.400 -0.018 0.000 2.358 217 K HA 0.226 4.546 4.320 -0.000 0.000 0.200 217 K C 1.553 177.942 176.600 -0.352 0.000 1.030 217 K CA 0.263 56.477 56.287 -0.122 0.000 1.097 217 K CB 0.711 33.189 32.500 -0.038 0.000 0.862 217 K HN 0.010 nan 8.250 nan 0.000 0.534 218 A N 1.325 124.028 122.820 -0.194 0.000 1.877 218 A HA -0.069 4.251 4.320 -0.000 0.000 0.216 218 A C 1.488 178.928 177.584 -0.239 0.000 1.186 218 A CA 1.212 53.115 52.037 -0.222 0.000 0.620 218 A CB -0.233 18.787 19.000 0.035 0.000 0.822 218 A HN 0.179 nan 8.150 nan 0.000 0.443 219 S N 0.701 116.325 115.700 -0.126 0.000 2.400 219 S HA 0.403 4.873 4.470 -0.000 0.000 0.295 219 S C 0.257 174.776 174.600 -0.135 0.000 1.113 219 S CA -0.635 57.511 58.200 -0.091 0.000 1.064 219 S CB -0.189 62.992 63.200 -0.030 0.000 0.990 219 S HN 0.477 nan 8.310 nan 0.000 0.502 220 R N 2.893 123.303 120.500 -0.151 0.000 2.674 220 R HA 0.207 4.547 4.340 -0.000 0.000 0.270 220 R C -0.754 175.478 176.300 -0.114 0.000 1.492 220 R CA -0.642 55.378 56.100 -0.133 0.000 1.624 220 R CB -0.801 29.395 30.300 -0.174 0.000 1.307 220 R HN 0.406 nan 8.270 nan 0.000 0.683 221 T N 2.246 116.688 114.554 -0.187 0.000 2.849 221 T HA -0.075 4.275 4.350 -0.000 0.000 0.289 221 T C -0.023 174.479 174.700 -0.329 0.000 1.010 221 T CA 0.890 62.755 62.100 -0.392 0.000 1.161 221 T CB -0.125 68.368 68.868 -0.625 0.000 0.989 221 T HN 0.563 nan 8.240 nan 0.000 0.523 222 Y N -1.255 119.060 120.300 0.024 0.000 4.766 222 Y HA -0.212 4.338 4.550 -0.000 0.000 0.289 222 Y C 0.744 176.668 175.900 0.040 0.000 0.965 222 Y CA 0.462 58.581 58.100 0.032 0.000 1.738 222 Y CB -2.233 36.243 38.460 0.026 0.000 1.062 222 Y HN 0.769 nan 8.280 nan 0.000 0.440 223 D N 0.618 121.104 120.400 0.144 0.000 2.382 223 D HA 0.534 5.173 4.640 -0.000 0.000 0.245 223 D C 1.285 177.675 176.300 0.151 0.000 1.120 223 D CA 0.837 54.919 54.000 0.136 0.000 0.890 223 D CB 1.247 42.100 40.800 0.089 0.000 1.201 223 D HN 0.291 nan 8.370 nan 0.000 0.433 224 A N 3.203 126.131 122.820 0.180 0.000 2.070 224 A HA -0.175 4.145 4.320 -0.000 0.000 0.220 224 A C 1.134 178.733 177.584 0.025 0.000 1.159 224 A CA 1.335 53.438 52.037 0.111 0.000 0.656 224 A CB -0.509 18.554 19.000 0.105 0.000 0.800 224 A HN 0.744 nan 8.150 nan 0.000 0.453 225 H N -0.310 118.820 119.070 0.100 0.000 2.507 225 H HA 0.181 4.737 4.556 -0.000 0.000 0.294 225 H C 0.609 176.047 175.328 0.183 0.000 1.064 225 H CA -0.184 55.953 56.048 0.149 0.000 1.138 225 H CB -0.033 29.850 29.762 0.202 0.000 1.515 225 H HN 0.622 nan 8.280 nan 0.000 0.547 226 R N 1.230 121.837 120.500 0.178 0.000 2.694 226 R HA 0.071 4.411 4.340 -0.000 0.000 0.268 226 R C -0.450 175.941 176.300 0.151 0.000 1.061 226 R CA 0.292 56.463 56.100 0.117 0.000 1.133 226 R CB 0.488 30.818 30.300 0.051 0.000 1.020 226 R HN 0.202 nan 8.270 nan 0.000 0.475 227 D N 0.225 120.721 120.400 0.159 0.000 2.914 227 D HA 0.222 4.862 4.640 -0.000 0.000 0.349 227 D C -0.032 176.330 176.300 0.104 0.000 1.540 227 D CA 0.025 54.111 54.000 0.143 0.000 0.778 227 D CB 0.380 41.291 40.800 0.185 0.000 1.213 227 D HN 0.921 nan 8.370 nan 0.000 0.451 228 G N 0.455 109.312 108.800 0.096 0.000 2.406 228 G HA2 0.225 4.185 3.960 -0.000 0.000 0.680 228 G HA3 0.225 4.185 3.960 -0.000 0.000 0.680 228 G C -0.567 174.384 174.900 0.085 0.000 1.338 228 G CA -0.700 44.452 45.100 0.085 0.000 0.941 228 G HN 0.331 nan 8.290 nan 0.000 0.633 229 F N -0.470 119.494 119.950 0.024 0.000 2.375 229 F HA 0.808 5.335 4.527 -0.000 0.000 0.313 229 F C 0.272 176.086 175.800 0.022 0.000 1.176 229 F CA -1.371 56.620 58.000 -0.015 0.000 1.142 229 F CB 1.228 40.187 39.000 -0.069 0.000 1.275 229 F HN 0.392 nan 8.300 nan 0.000 0.544 230 V N 4.103 124.151 119.914 0.224 0.000 2.347 230 V HA 0.252 4.372 4.120 -0.000 0.000 0.280 230 V C 0.216 176.484 176.094 0.291 0.000 1.021 230 V CA -0.865 61.513 62.300 0.130 0.000 0.847 230 V CB 1.096 32.991 31.823 0.120 0.000 0.990 230 V HN 0.837 nan 8.190 nan 0.000 0.444 231 I N 4.743 125.432 120.570 0.199 0.000 2.692 231 I HA 0.468 4.638 4.170 -0.000 0.000 0.284 231 I C 0.530 176.763 176.117 0.194 0.000 1.159 231 I CA 0.564 62.028 61.300 0.274 0.000 1.423 231 I CB 0.794 38.908 38.000 0.191 0.000 1.380 231 I HN 0.793 nan 8.210 nan 0.000 0.580 232 A N 4.999 127.868 122.820 0.082 0.000 2.532 232 A HA 0.902 5.222 4.320 -0.000 0.000 0.290 232 A C -0.547 176.981 177.584 -0.092 0.000 1.143 232 A CA -0.123 51.902 52.037 -0.020 0.000 0.728 232 A CB 1.447 20.431 19.000 -0.026 0.000 1.317 232 A HN 0.824 nan 8.150 nan 0.000 0.414 233 G N -1.802 106.898 108.800 -0.167 0.000 2.730 233 G HA2 0.917 4.877 3.960 -0.000 0.000 0.289 233 G HA3 0.917 4.877 3.960 -0.000 0.000 0.289 233 G C -0.066 174.659 174.900 -0.292 0.000 1.341 233 G CA -0.234 44.775 45.100 -0.152 0.000 0.932 233 G HN 2.283 nan 8.290 nan 0.000 0.481 234 G N -2.121 106.480 108.800 -0.331 0.000 2.340 234 G HA2 0.611 4.571 3.960 -0.000 0.000 0.282 234 G HA3 0.611 4.571 3.960 -0.000 0.000 0.282 234 G C -0.323 174.501 174.900 -0.127 0.000 1.312 234 G CA 0.210 44.974 45.100 -0.560 0.000 0.942 234 G HN 2.008 nan 8.290 nan 0.000 0.495 235 G N -1.853 106.886 108.800 -0.102 0.000 2.684 235 G HA2 1.007 4.967 3.960 -0.000 0.000 0.290 235 G HA3 1.007 4.967 3.960 -0.000 0.000 0.290 235 G C -0.381 174.486 174.900 -0.055 0.000 1.425 235 G CA 0.358 45.463 45.100 0.009 0.000 0.822 235 G HN 2.099 nan 8.290 nan 0.000 0.482 236 G N -1.244 107.522 108.800 -0.056 0.000 2.703 236 G HA2 0.672 4.632 3.960 -0.000 0.000 0.294 236 G HA3 0.672 4.632 3.960 -0.000 0.000 0.294 236 G C -1.696 173.153 174.900 -0.084 0.000 1.451 236 G CA -0.602 44.439 45.100 -0.097 0.000 0.869 236 G HN 0.923 nan 8.290 nan 0.000 0.516 237 M N 1.089 120.632 119.600 -0.096 0.000 2.365 237 M HA 0.672 5.152 4.480 -0.000 0.000 0.287 237 M C -1.032 175.214 176.300 -0.091 0.000 1.154 237 M CA -0.759 54.491 55.300 -0.083 0.000 0.941 237 M CB 2.276 34.824 32.600 -0.088 0.000 1.704 237 M HN 1.159 nan 8.290 nan 0.000 0.479 238 V N 1.616 121.478 119.914 -0.086 0.000 2.914 238 V HA 0.890 5.010 4.120 -0.000 0.000 0.314 238 V C -1.145 174.882 176.094 -0.112 0.000 1.084 238 V CA -0.927 61.309 62.300 -0.107 0.000 0.963 238 V CB 1.844 33.585 31.823 -0.136 0.000 1.025 238 V HN 0.599 nan 8.190 nan 0.000 0.432 239 V N 3.801 123.633 119.914 -0.136 0.000 2.320 239 V HA 0.318 4.438 4.120 -0.000 0.000 0.265 239 V C 0.179 176.132 176.094 -0.236 0.000 1.048 239 V CA -0.322 61.809 62.300 -0.281 0.000 0.865 239 V CB 1.020 32.691 31.823 -0.254 0.000 1.043 239 V HN 0.729 nan 8.190 nan 0.000 0.474 240 V N 5.208 124.958 119.914 -0.274 0.000 2.432 240 V HA 0.445 4.565 4.120 -0.000 0.000 0.271 240 V C 0.126 176.085 176.094 -0.225 0.000 1.046 240 V CA -0.184 61.994 62.300 -0.202 0.000 0.945 240 V CB 1.239 32.951 31.823 -0.186 0.000 0.992 240 V HN 0.960 nan 8.190 nan 0.000 0.471 241 E N 2.735 122.841 120.200 -0.157 0.000 2.356 241 E HA 0.321 4.671 4.350 -0.000 0.000 0.275 241 E C -0.860 175.688 176.600 -0.087 0.000 0.904 241 E CA -0.758 55.553 56.400 -0.147 0.000 0.757 241 E CB 1.865 31.498 29.700 -0.111 0.000 1.232 241 E HN 0.687 nan 8.360 nan 0.000 0.442 242 E N 3.594 123.743 120.200 -0.086 0.000 2.384 242 E HA -0.030 4.320 4.350 -0.000 0.000 0.266 242 E C 0.835 177.445 176.600 0.016 0.000 1.012 242 E CA -0.093 56.288 56.400 -0.032 0.000 0.901 242 E CB 1.095 30.778 29.700 -0.029 0.000 0.967 242 E HN 0.624 nan 8.360 nan 0.000 0.435 243 L N 5.867 127.094 121.223 0.006 0.000 1.963 243 L HA -0.270 4.070 4.340 -0.000 0.000 0.220 243 L C 1.869 178.751 176.870 0.020 0.000 1.076 243 L CA 2.292 57.135 54.840 0.006 0.000 0.772 243 L CB -0.551 41.507 42.059 -0.002 0.000 0.892 243 L HN 0.699 nan 8.230 nan 0.000 0.435 244 E N -1.625 118.592 120.200 0.027 0.000 2.118 244 E HA -0.287 4.063 4.350 -0.000 0.000 0.195 244 E C 2.200 178.820 176.600 0.034 0.000 0.992 244 E CA 1.269 57.683 56.400 0.023 0.000 0.804 244 E CB -0.368 29.346 29.700 0.024 0.000 0.741 244 E HN 0.626 nan 8.360 nan 0.000 0.458 245 H N 0.298 119.352 119.070 -0.027 0.000 2.353 245 H HA -0.024 4.532 4.556 -0.000 0.000 0.300 245 H C 1.980 177.290 175.328 -0.031 0.000 1.090 245 H CA 1.622 57.654 56.048 -0.027 0.000 1.327 245 H CB 0.101 29.843 29.762 -0.033 0.000 1.383 245 H HN 0.190 nan 8.280 nan 0.000 0.508 246 A N 1.046 123.928 122.820 0.104 0.000 1.898 246 A HA -0.081 4.239 4.320 -0.000 0.000 0.216 246 A C 2.846 180.416 177.584 -0.023 0.000 1.181 246 A CA 1.169 53.230 52.037 0.041 0.000 0.620 246 A CB -0.795 18.218 19.000 0.021 0.000 0.819 246 A HN 0.395 nan 8.150 nan 0.000 0.442 247 L N -0.700 120.506 121.223 -0.028 0.000 2.056 247 L HA -0.156 4.184 4.340 -0.000 0.000 0.207 247 L C 3.058 179.895 176.870 -0.055 0.000 1.078 247 L CA 1.017 55.833 54.840 -0.041 0.000 0.749 247 L CB -0.592 41.448 42.059 -0.033 0.000 0.901 247 L HN 0.405 nan 8.230 nan 0.000 0.433 248 A N 1.031 123.805 122.820 -0.076 0.000 1.978 248 A HA -0.209 4.111 4.320 -0.000 0.000 0.220 248 A C 2.202 179.720 177.584 -0.111 0.000 1.170 248 A CA 1.854 53.832 52.037 -0.099 0.000 0.636 248 A CB -0.574 18.344 19.000 -0.136 0.000 0.810 248 A HN 0.596 nan 8.150 nan 0.000 0.448 249 R N -1.076 119.349 120.500 -0.126 0.000 2.427 249 R HA 0.361 4.701 4.340 -0.000 0.000 0.262 249 R C 0.851 177.121 176.300 -0.050 0.000 0.943 249 R CA 0.472 56.514 56.100 -0.096 0.000 1.081 249 R CB -0.807 29.423 30.300 -0.117 0.000 1.166 249 R HN 0.628 nan 8.270 nan 0.000 0.534 250 G N 0.975 109.748 108.800 -0.046 0.000 2.395 250 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.300 250 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.300 250 G C 0.203 175.093 174.900 -0.017 0.000 0.998 250 G CA 0.378 45.460 45.100 -0.030 0.000 1.046 250 G HN 0.710 nan 8.290 nan 0.000 0.513 251 A N 0.319 123.129 122.820 -0.017 0.000 2.286 251 A HA 0.666 4.986 4.320 -0.000 0.000 0.286 251 A C 0.550 178.131 177.584 -0.006 0.000 1.097 251 A CA -0.395 51.645 52.037 0.005 0.000 0.821 251 A CB 0.489 19.496 19.000 0.012 0.000 1.076 251 A HN 0.876 nan 8.150 nan 0.000 0.490 252 H N 1.652 120.667 119.070 -0.091 0.000 2.819 252 H HA 0.355 4.911 4.556 -0.000 0.000 0.303 252 H C -1.024 174.193 175.328 -0.186 0.000 1.058 252 H CA 0.224 56.174 56.048 -0.164 0.000 1.471 252 H CB 0.304 29.928 29.762 -0.229 0.000 1.480 252 H HN 0.450 nan 8.280 nan 0.000 0.517 253 I N 6.831 127.006 120.570 -0.658 0.000 2.330 253 I HA -0.021 4.149 4.170 -0.000 0.000 0.289 253 I C 0.207 175.969 176.117 -0.591 0.000 1.001 253 I CA -0.601 60.440 61.300 -0.432 0.000 1.193 253 I CB 1.063 38.929 38.000 -0.222 0.000 1.345 253 I HN 0.648 nan 8.210 nan 0.000 0.461 254 Y N 5.118 125.259 120.300 -0.266 0.000 2.184 254 Y HA 0.180 4.730 4.550 -0.000 0.000 0.290 254 Y C 1.270 177.104 175.900 -0.109 0.000 1.129 254 Y CA 1.087 59.107 58.100 -0.133 0.000 1.144 254 Y CB 0.145 38.603 38.460 -0.003 0.000 0.995 254 Y HN 0.672 nan 8.280 nan 0.000 0.513 255 A N -0.866 122.003 122.820 0.081 0.000 2.540 255 A HA 0.427 4.747 4.320 -0.000 0.000 0.291 255 A C -1.481 176.109 177.584 0.009 0.000 1.083 255 A CA -0.819 51.235 52.037 0.028 0.000 0.650 255 A CB 0.720 19.748 19.000 0.046 0.000 1.292 255 A HN 0.074 nan 8.150 nan 0.000 0.435 256 E N 0.277 120.478 120.200 0.001 0.000 2.204 256 E HA 0.625 4.975 4.350 -0.000 0.000 0.276 256 E C -1.214 175.389 176.600 0.005 0.000 0.974 256 E CA -0.613 55.785 56.400 -0.003 0.000 0.815 256 E CB 0.985 30.683 29.700 -0.003 0.000 1.119 256 E HN 0.484 nan 8.360 nan 0.000 0.393 257 I N 5.523 126.093 120.570 -0.001 0.000 2.291 257 I HA 0.048 4.218 4.170 -0.000 0.000 0.292 257 I C 0.966 177.099 176.117 0.027 0.000 1.064 257 I CA -0.325 60.979 61.300 0.007 0.000 1.269 257 I CB 0.973 38.962 38.000 -0.017 0.000 1.418 257 I HN 0.501 nan 8.210 nan 0.000 0.485 258 V N 2.571 122.509 119.914 0.040 0.000 3.621 258 V HA 0.519 4.639 4.120 -0.000 0.000 0.285 258 V C 0.687 176.826 176.094 0.074 0.000 1.346 258 V CA 0.119 62.449 62.300 0.050 0.000 1.104 258 V CB -0.044 31.804 31.823 0.042 0.000 0.913 258 V HN 0.706 nan 8.190 nan 0.000 0.432 259 G N -0.423 108.431 108.800 0.091 0.000 2.759 259 G HA2 0.542 4.502 3.960 -0.000 0.000 0.297 259 G HA3 0.542 4.502 3.960 -0.000 0.000 0.297 259 G C -2.313 172.699 174.900 0.187 0.000 1.434 259 G CA -0.576 44.596 45.100 0.120 0.000 0.980 259 G HN 0.344 nan 8.290 nan 0.000 0.531 260 Y N 1.274 121.592 120.300 0.030 0.000 2.330 260 Y HA 0.674 5.224 4.550 -0.000 0.000 0.324 260 Y C -0.183 175.741 175.900 0.040 0.000 1.093 260 Y CA -1.164 56.953 58.100 0.028 0.000 1.103 260 Y CB 1.724 40.200 38.460 0.027 0.000 1.183 260 Y HN 0.852 nan 8.280 nan 0.000 0.433 261 G N 3.098 111.770 108.800 -0.214 0.000 2.416 261 G HA2 0.750 4.710 3.960 -0.000 0.000 0.329 261 G HA3 0.750 4.710 3.960 -0.000 0.000 0.329 261 G C -1.658 173.002 174.900 -0.400 0.000 1.173 261 G CA -0.616 44.305 45.100 -0.298 0.000 0.929 261 G HN 1.153 nan 8.290 nan 0.000 0.475 262 A N 1.574 124.187 122.820 -0.344 0.000 2.476 262 A HA 0.840 5.160 4.320 -0.000 0.000 0.280 262 A C -0.014 177.556 177.584 -0.024 0.000 1.081 262 A CA -0.105 51.879 52.037 -0.088 0.000 0.753 262 A CB 1.180 20.101 19.000 -0.132 0.000 1.248 262 A HN 1.528 nan 8.150 nan 0.000 0.424 263 T N -1.436 113.154 114.554 0.059 0.000 2.804 263 T HA 0.856 5.206 4.350 -0.000 0.000 0.290 263 T C -0.301 174.429 174.700 0.049 0.000 1.099 263 T CA -0.506 61.608 62.100 0.023 0.000 1.011 263 T CB 1.761 70.627 68.868 -0.002 0.000 1.291 263 T HN 1.314 nan 8.240 nan 0.000 0.523 264 S N -0.909 114.801 115.700 0.016 0.000 2.536 264 S HA 0.455 4.925 4.470 -0.000 0.000 0.287 264 S C -0.132 174.465 174.600 -0.004 0.000 1.101 264 S CA -0.619 57.592 58.200 0.018 0.000 0.950 264 S CB 1.542 64.748 63.200 0.010 0.000 1.056 264 S HN 0.692 nan 8.310 nan 0.000 0.481 265 D N 2.892 123.288 120.400 -0.005 0.000 2.123 265 D HA 0.136 4.776 4.640 -0.000 0.000 0.200 265 D C 1.488 177.778 176.300 -0.015 0.000 0.976 265 D CA 1.537 55.523 54.000 -0.024 0.000 0.831 265 D CB -0.546 40.238 40.800 -0.027 0.000 0.974 265 D HN 1.056 nan 8.370 nan 0.000 0.469 266 G N 0.064 108.861 108.800 -0.004 0.000 2.273 266 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.280 266 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.280 266 G C 0.612 175.508 174.900 -0.007 0.000 1.047 266 G CA 0.950 46.048 45.100 -0.004 0.000 0.869 266 G HN 0.644 nan 8.290 nan 0.000 0.502 267 A N -1.048 121.768 122.820 -0.007 0.000 1.758 267 A HA 0.611 4.931 4.320 -0.000 0.000 0.172 267 A C 0.333 177.913 177.584 -0.008 0.000 1.924 267 A CA 0.654 52.686 52.037 -0.009 0.000 1.449 267 A CB 0.464 19.455 19.000 -0.015 0.000 1.075 267 A HN 0.268 nan 8.150 nan 0.000 0.777 268 D N -0.130 120.266 120.400 -0.007 0.000 2.193 268 D HA 0.406 5.046 4.640 -0.000 0.000 0.249 268 D C 0.544 176.839 176.300 -0.009 0.000 1.034 268 D CA -0.381 53.613 54.000 -0.011 0.000 0.902 268 D CB 1.801 42.594 40.800 -0.011 0.000 1.182 268 D HN 0.208 nan 8.370 nan 0.000 0.436 269 M N 1.738 121.320 119.600 -0.030 0.000 2.236 269 M HA -0.110 4.370 4.480 -0.000 0.000 0.266 269 M C 1.176 177.414 176.300 -0.104 0.000 1.070 269 M CA 1.418 56.693 55.300 -0.041 0.000 1.137 269 M CB 0.222 32.788 32.600 -0.057 0.000 1.378 269 M HN 0.353 nan 8.290 nan 0.000 0.426 270 V N -3.139 116.668 119.914 -0.179 0.000 3.252 270 V HA 0.720 4.840 4.120 -0.000 0.000 0.320 270 V C 0.081 176.110 176.094 -0.109 0.000 1.459 270 V CA -0.069 61.997 62.300 -0.391 0.000 1.095 270 V CB -0.912 30.541 31.823 -0.616 0.000 0.997 270 V HN 0.230 nan 8.190 nan 0.000 0.469 271 A N 0.826 123.642 122.820 -0.007 0.000 2.374 271 A HA 0.930 5.250 4.320 -0.000 0.000 0.305 271 A C -3.179 174.432 177.584 0.045 0.000 1.053 271 A CA -1.734 50.331 52.037 0.047 0.000 0.726 271 A CB 1.448 20.462 19.000 0.022 0.000 1.229 271 A HN 0.222 nan 8.150 nan 0.000 0.431 272 P HA 0.103 nan 4.420 nan 0.000 0.268 272 P C 0.970 178.246 177.300 -0.041 0.000 1.204 272 P CA 0.205 63.294 63.100 -0.018 0.000 0.768 272 P CB 1.135 32.812 31.700 -0.038 0.000 0.842 273 S N 2.139 117.798 115.700 -0.069 0.000 2.470 273 S HA 0.119 4.589 4.470 -0.000 0.000 0.225 273 S C 1.696 176.251 174.600 -0.075 0.000 1.006 273 S CA 0.837 59.002 58.200 -0.058 0.000 0.934 273 S CB -0.938 62.230 63.200 -0.053 0.000 0.778 273 S HN 0.663 nan 8.310 nan 0.000 0.517 274 G N 1.800 110.523 108.800 -0.129 0.000 2.640 274 G HA2 -0.426 3.534 3.960 -0.000 0.000 0.226 274 G HA3 -0.426 3.534 3.960 -0.000 0.000 0.226 274 G C 0.877 175.698 174.900 -0.131 0.000 1.222 274 G CA 0.575 45.597 45.100 -0.131 0.000 0.729 274 G HN 0.549 nan 8.290 nan 0.000 0.516 275 E N 1.217 121.360 120.200 -0.095 0.000 2.110 275 E HA -0.012 4.338 4.350 -0.000 0.000 0.193 275 E C 2.632 179.174 176.600 -0.097 0.000 0.988 275 E CA 1.764 58.117 56.400 -0.079 0.000 0.804 275 E CB -0.765 28.902 29.700 -0.056 0.000 0.745 275 E HN 0.627 nan 8.360 nan 0.000 0.458 276 G N 0.721 109.450 108.800 -0.120 0.000 2.418 276 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.217 276 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.217 276 G C 1.649 176.453 174.900 -0.159 0.000 1.158 276 G CA 0.957 45.986 45.100 -0.119 0.000 0.771 276 G HN 0.415 nan 8.290 nan 0.000 0.545 277 A N 0.067 122.705 122.820 -0.304 0.000 1.933 277 A HA 0.100 4.420 4.320 -0.000 0.000 0.218 277 A C 2.605 180.130 177.584 -0.100 0.000 1.175 277 A CA 1.746 53.558 52.037 -0.374 0.000 0.628 277 A CB -0.575 17.997 19.000 -0.713 0.000 0.814 277 A HN 0.247 nan 8.150 nan 0.000 0.444 278 V N 0.029 119.886 119.914 -0.095 0.000 2.295 278 V HA -0.279 3.841 4.120 -0.000 0.000 0.246 278 V C 2.653 178.718 176.094 -0.048 0.000 1.049 278 V CA 2.308 64.574 62.300 -0.056 0.000 1.024 278 V CB -0.789 30.998 31.823 -0.059 0.000 0.648 278 V HN 0.535 nan 8.190 nan 0.000 0.447 279 R N -1.092 119.378 120.500 -0.050 0.000 2.096 279 R HA -0.194 4.146 4.340 -0.000 0.000 0.235 279 R C 2.402 178.687 176.300 -0.025 0.000 1.127 279 R CA 1.716 57.792 56.100 -0.040 0.000 0.968 279 R CB -0.882 29.393 30.300 -0.041 0.000 0.861 279 R HN 0.564 nan 8.270 nan 0.000 0.440 280 C N 0.685 119.982 119.300 -0.005 0.000 2.453 280 C HA -0.050 4.410 4.460 -0.000 0.000 0.277 280 C C 2.610 177.625 174.990 0.041 0.000 1.262 280 C CA 0.803 59.839 59.018 0.030 0.000 1.718 280 C CB -0.658 27.152 27.740 0.117 0.000 2.031 280 C HN 0.459 nan 8.230 nan 0.000 0.480 281 M N 0.151 119.788 119.600 0.061 0.000 2.117 281 M HA -0.148 4.332 4.480 -0.000 0.000 0.262 281 M C 2.281 178.573 176.300 -0.014 0.000 1.065 281 M CA 1.806 57.137 55.300 0.051 0.000 1.114 281 M CB -0.468 32.171 32.600 0.065 0.000 1.361 281 M HN 0.370 nan 8.290 nan 0.000 0.408 282 K N 0.033 120.405 120.400 -0.046 0.000 2.097 282 K HA -0.159 4.161 4.320 -0.000 0.000 0.206 282 K C 1.996 178.599 176.600 0.006 0.000 1.049 282 K CA 1.431 57.687 56.287 -0.052 0.000 0.933 282 K CB -0.247 32.220 32.500 -0.054 0.000 0.717 282 K HN 0.363 nan 8.250 nan 0.000 0.442 283 M N 0.557 120.156 119.600 -0.002 0.000 2.117 283 M HA -0.158 4.322 4.480 -0.000 0.000 0.262 283 M C 2.097 178.409 176.300 0.021 0.000 1.065 283 M CA 1.780 57.076 55.300 -0.006 0.000 1.114 283 M CB -0.083 32.480 32.600 -0.061 0.000 1.361 283 M HN 0.158 nan 8.290 nan 0.000 0.408 284 A N 0.067 122.899 122.820 0.020 0.000 2.015 284 A HA -0.101 4.219 4.320 -0.000 0.000 0.219 284 A C 1.902 179.530 177.584 0.073 0.000 1.163 284 A CA 1.412 53.481 52.037 0.053 0.000 0.646 284 A CB -0.597 18.444 19.000 0.067 0.000 0.806 284 A HN 0.652 nan 8.150 nan 0.000 0.448 285 M N -0.925 118.709 119.600 0.056 0.000 2.541 285 M HA 0.041 4.521 4.480 -0.000 0.000 0.252 285 M C 0.693 177.021 176.300 0.047 0.000 1.125 285 M CA 0.100 55.425 55.300 0.042 0.000 1.091 285 M CB 0.000 32.591 32.600 -0.016 0.000 1.420 285 M HN 0.413 nan 8.290 nan 0.000 0.486 286 H N 0.820 119.881 119.070 -0.015 0.000 3.107 286 H HA 0.053 4.609 4.556 -0.000 0.000 0.301 286 H C 1.065 176.392 175.328 -0.001 0.000 0.981 286 H CA 1.898 57.938 56.048 -0.014 0.000 1.443 286 H CB 0.354 30.105 29.762 -0.018 0.000 1.479 286 H HN 0.559 nan 8.280 nan 0.000 0.564 287 G N 3.985 112.648 108.800 -0.228 0.000 2.241 287 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.244 287 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.244 287 G C 0.247 175.131 174.900 -0.028 0.000 0.998 287 G CA 0.147 45.199 45.100 -0.079 0.000 0.621 287 G HN 0.633 nan 8.290 nan 0.000 0.519 288 V N 3.328 123.237 119.914 -0.009 0.000 2.403 288 V HA 0.304 4.424 4.120 -0.000 0.000 0.265 288 V C 1.233 177.324 176.094 -0.004 0.000 1.034 288 V CA 0.714 63.020 62.300 0.010 0.000 1.036 288 V CB 1.027 32.870 31.823 0.033 0.000 1.032 288 V HN 0.542 nan 8.190 nan 0.000 0.478 289 D N 2.615 123.014 120.400 -0.003 0.000 2.324 289 D HA -0.009 4.631 4.640 -0.000 0.000 0.235 289 D C 0.698 177.003 176.300 0.008 0.000 1.095 289 D CA 0.077 54.074 54.000 -0.005 0.000 0.871 289 D CB -0.068 40.728 40.800 -0.007 0.000 0.906 289 D HN 0.602 nan 8.370 nan 0.000 0.522 290 T N -2.680 111.886 114.554 0.020 0.000 2.893 290 T HA 0.589 4.939 4.350 -0.000 0.000 0.291 290 T C -2.823 171.906 174.700 0.048 0.000 1.028 290 T CA -1.794 60.323 62.100 0.029 0.000 0.995 290 T CB 2.406 71.290 68.868 0.028 0.000 1.051 290 T HN -0.169 nan 8.240 nan 0.000 0.470 291 P HA 0.323 nan 4.420 nan 0.000 0.274 291 P C -0.482 176.869 177.300 0.085 0.000 1.231 291 P CA -0.668 62.481 63.100 0.083 0.000 0.790 291 P CB 0.548 32.287 31.700 0.065 0.000 0.951 292 I N 2.994 123.640 120.570 0.126 0.000 2.379 292 I HA 0.023 4.193 4.170 -0.000 0.000 0.290 292 I C 1.358 177.466 176.117 -0.015 0.000 1.063 292 I CA 0.307 61.650 61.300 0.071 0.000 1.351 292 I CB -0.091 37.974 38.000 0.107 0.000 1.410 292 I HN 0.328 nan 8.210 nan 0.000 0.505 293 D N 4.977 125.385 120.400 0.013 0.000 2.183 293 D HA -0.093 4.547 4.640 -0.000 0.000 0.205 293 D C 0.097 176.427 176.300 0.050 0.000 0.962 293 D CA 1.430 55.443 54.000 0.022 0.000 0.849 293 D CB 0.383 41.211 40.800 0.046 0.000 0.978 293 D HN 0.516 nan 8.370 nan 0.000 0.488 294 Y N 0.342 120.592 120.300 -0.083 0.000 2.457 294 Y HA 0.494 5.044 4.550 -0.000 0.000 0.343 294 Y C -1.867 173.982 175.900 -0.086 0.000 0.994 294 Y CA -1.136 56.907 58.100 -0.094 0.000 1.031 294 Y CB 1.492 39.898 38.460 -0.091 0.000 1.246 294 Y HN -0.238 nan 8.280 nan 0.000 0.449 295 L N 6.991 127.555 121.223 -1.099 0.000 2.372 295 L HA 0.481 4.821 4.340 -0.000 0.000 0.274 295 L C -1.213 175.030 176.870 -1.045 0.000 0.988 295 L CA -0.566 53.779 54.840 -0.824 0.000 0.833 295 L CB 1.036 42.832 42.059 -0.438 0.000 1.236 295 L HN 0.779 nan 8.230 nan 0.000 0.410 296 N N 3.522 121.803 118.700 -0.699 0.000 2.437 296 N HA 0.133 4.873 4.740 -0.000 0.000 0.243 296 N C -0.399 175.038 175.510 -0.122 0.000 1.041 296 N CA -0.175 52.721 53.050 -0.257 0.000 0.940 296 N CB 1.091 39.605 38.487 0.045 0.000 1.133 296 N HN 0.707 nan 8.380 nan 0.000 0.506 297 S N 2.652 118.322 115.700 -0.050 0.000 2.600 297 S HA 0.012 4.482 4.470 -0.000 0.000 0.265 297 S C 1.330 175.928 174.600 -0.003 0.000 1.325 297 S CA -0.233 57.983 58.200 0.027 0.000 1.002 297 S CB 1.170 64.474 63.200 0.173 0.000 0.921 297 S HN 0.746 nan 8.310 nan 0.000 0.554 298 H N 2.145 121.143 119.070 -0.121 0.000 2.389 298 H HA 0.135 4.691 4.556 -0.000 0.000 0.299 298 H C 1.513 176.759 175.328 -0.138 0.000 1.081 298 H CA 1.140 57.069 56.048 -0.199 0.000 1.345 298 H CB -1.078 28.508 29.762 -0.293 0.000 1.393 298 H HN 1.001 nan 8.280 nan 0.000 0.520 299 G N 0.997 109.716 108.800 -0.135 0.000 2.629 299 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.334 299 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.334 299 G C 0.923 175.571 174.900 -0.420 0.000 0.208 299 G CA 1.001 45.928 45.100 -0.288 0.000 1.166 299 G HN 0.747 nan 8.290 nan 0.000 0.475 300 T N -1.088 113.174 114.554 -0.487 0.000 3.107 300 T HA 0.401 4.751 4.350 -0.000 0.000 0.249 300 T C 1.228 175.832 174.700 -0.160 0.000 1.096 300 T CA 0.837 62.675 62.100 -0.437 0.000 1.012 300 T CB 0.339 68.761 68.868 -0.743 0.000 0.977 300 T HN 1.700 nan 8.240 nan 0.000 0.527 301 S N 0.902 116.499 115.700 -0.172 0.000 3.807 301 S HA -0.132 4.338 4.470 -0.000 0.000 0.304 301 S C 0.214 174.822 174.600 0.014 0.000 1.152 301 S CA 0.525 58.667 58.200 -0.096 0.000 0.852 301 S CB -2.133 61.027 63.200 -0.067 0.000 0.924 301 S HN 1.223 nan 8.310 nan 0.000 0.545 302 T N -0.920 113.656 114.554 0.038 0.000 2.895 302 T HA 0.688 5.038 4.350 -0.000 0.000 0.283 302 T C -1.421 173.335 174.700 0.093 0.000 1.014 302 T CA -1.613 60.552 62.100 0.110 0.000 1.037 302 T CB 1.649 70.621 68.868 0.173 0.000 1.006 302 T HN -0.036 nan 8.240 nan 0.000 0.468 303 P HA -0.138 nan 4.420 nan 0.000 0.212 303 P C 1.664 179.017 177.300 0.089 0.000 1.178 303 P CA 0.763 63.914 63.100 0.084 0.000 0.915 303 P CB -0.050 31.695 31.700 0.076 0.000 0.788 304 V N -0.515 119.457 119.914 0.095 0.000 2.346 304 V HA -0.078 4.042 4.120 -0.000 0.000 0.244 304 V C 2.605 178.765 176.094 0.110 0.000 1.037 304 V CA 2.333 64.688 62.300 0.092 0.000 1.029 304 V CB -1.980 29.892 31.823 0.083 0.000 0.663 304 V HN 0.177 nan 8.190 nan 0.000 0.454 305 G N 0.141 109.022 108.800 0.135 0.000 2.491 305 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.218 305 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.218 305 G C 1.195 176.199 174.900 0.173 0.000 1.180 305 G CA 1.407 46.606 45.100 0.166 0.000 0.774 305 G HN 0.495 nan 8.290 nan 0.000 0.562 306 D N 0.055 120.540 120.400 0.142 0.000 2.106 306 D HA -0.147 4.493 4.640 -0.000 0.000 0.191 306 D C 2.928 179.385 176.300 0.262 0.000 0.997 306 D CA 1.922 56.030 54.000 0.179 0.000 0.834 306 D CB -0.647 40.217 40.800 0.107 0.000 0.956 306 D HN 0.361 nan 8.370 nan 0.000 0.448 307 V N -1.222 118.803 119.914 0.185 0.000 2.548 307 V HA -0.091 4.029 4.120 -0.000 0.000 0.249 307 V C 2.026 178.187 176.094 0.111 0.000 1.055 307 V CA 1.072 63.458 62.300 0.143 0.000 1.065 307 V CB -0.409 31.474 31.823 0.100 0.000 0.681 307 V HN -0.053 nan 8.190 nan 0.000 0.462 308 K N 0.862 121.323 120.400 0.102 0.000 2.057 308 K HA -0.201 4.119 4.320 -0.000 0.000 0.207 308 K C 2.233 178.872 176.600 0.064 0.000 1.049 308 K CA 2.179 58.502 56.287 0.060 0.000 0.931 308 K CB -0.376 32.148 32.500 0.040 0.000 0.714 308 K HN 0.791 nan 8.250 nan 0.000 0.440 309 E N 0.833 121.114 120.200 0.135 0.000 2.106 309 E HA -0.121 4.229 4.350 -0.000 0.000 0.192 309 E C 2.122 178.822 176.600 0.168 0.000 0.984 309 E CA 0.618 57.132 56.400 0.190 0.000 0.806 309 E CB 0.009 29.926 29.700 0.362 0.000 0.750 309 E HN 0.166 nan 8.360 nan 0.000 0.458 310 L N 0.428 121.744 121.223 0.155 0.000 2.083 310 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 310 L C 2.692 179.597 176.870 0.060 0.000 1.083 310 L CA 1.015 55.901 54.840 0.078 0.000 0.752 310 L CB -0.512 41.559 42.059 0.021 0.000 0.899 310 L HN 0.248 nan 8.230 nan 0.000 0.433 311 A N 0.071 122.925 122.820 0.056 0.000 1.902 311 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 311 A C 2.535 180.141 177.584 0.037 0.000 1.181 311 A CA 1.704 53.763 52.037 0.037 0.000 0.623 311 A CB -0.622 18.393 19.000 0.026 0.000 0.818 311 A HN 0.402 nan 8.150 nan 0.000 0.443 312 A N -0.070 122.774 122.820 0.039 0.000 1.902 312 A HA -0.061 4.259 4.320 -0.000 0.000 0.217 312 A C 2.112 179.745 177.584 0.082 0.000 1.181 312 A CA 1.478 53.532 52.037 0.029 0.000 0.623 312 A CB -0.586 18.412 19.000 -0.004 0.000 0.818 312 A HN 0.496 nan 8.150 nan 0.000 0.443 313 I N -1.101 119.554 120.570 0.143 0.000 2.226 313 I HA -0.237 3.933 4.170 -0.000 0.000 0.245 313 I C 2.672 178.940 176.117 0.253 0.000 1.100 313 I CA 1.647 63.101 61.300 0.257 0.000 1.374 313 I CB -0.239 37.878 38.000 0.195 0.000 1.057 313 I HN 0.269 nan 8.210 nan 0.000 0.413 314 R N 1.359 121.937 120.500 0.130 0.000 2.096 314 R HA -0.227 4.113 4.340 -0.000 0.000 0.235 314 R C 2.084 178.429 176.300 0.074 0.000 1.127 314 R CA 1.729 57.887 56.100 0.097 0.000 0.968 314 R CB -0.398 29.931 30.300 0.049 0.000 0.861 314 R HN 0.275 nan 8.270 nan 0.000 0.440 315 E N -0.476 119.750 120.200 0.042 0.000 2.072 315 E HA -0.088 4.262 4.350 -0.000 0.000 0.191 315 E C 1.773 178.351 176.600 -0.037 0.000 0.985 315 E CA 1.620 58.021 56.400 0.002 0.000 0.801 315 E CB -0.235 29.458 29.700 -0.011 0.000 0.750 315 E HN 0.174 nan 8.360 nan 0.000 0.452 316 V N -0.279 119.593 119.914 -0.069 0.000 2.323 316 V HA -0.153 3.967 4.120 -0.000 0.000 0.244 316 V C 1.808 177.665 176.094 -0.395 0.000 1.041 316 V CA 1.868 64.002 62.300 -0.276 0.000 1.025 316 V CB -0.495 31.066 31.823 -0.437 0.000 0.656 316 V HN 0.254 nan 8.190 nan 0.000 0.451 317 F N -0.190 119.758 119.950 -0.003 0.000 2.749 317 F HA 0.488 5.015 4.527 -0.000 0.000 0.300 317 F C 1.806 177.601 175.800 -0.007 0.000 1.103 317 F CA 0.579 58.575 58.000 -0.006 0.000 1.342 317 F CB -0.427 38.567 39.000 -0.009 0.000 1.098 317 F HN 0.272 nan 8.300 nan 0.000 0.586 318 G N 1.009 109.888 108.800 0.131 0.000 2.622 318 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.307 318 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.307 318 G C 0.652 175.602 174.900 0.084 0.000 1.226 318 G CA 0.762 45.909 45.100 0.078 0.000 0.997 318 G HN 0.252 nan 8.290 nan 0.000 0.551 319 D N 1.379 121.815 120.400 0.061 0.000 2.340 319 D HA 0.134 4.774 4.640 -0.000 0.000 0.220 319 D C 1.353 177.681 176.300 0.048 0.000 1.039 319 D CA 0.610 54.636 54.000 0.044 0.000 0.866 319 D CB 0.185 41.002 40.800 0.028 0.000 0.913 319 D HN 0.467 nan 8.370 nan 0.000 0.523 320 K N 0.923 121.373 120.400 0.083 0.000 3.109 320 K HA 0.136 4.456 4.320 -0.000 0.000 0.214 320 K C 0.140 176.782 176.600 0.070 0.000 1.196 320 K CA -0.233 56.100 56.287 0.077 0.000 1.115 320 K CB 0.818 33.377 32.500 0.098 0.000 1.103 320 K HN -0.058 nan 8.250 nan 0.000 0.467 321 S N 1.263 116.965 115.700 0.003 0.000 2.572 321 S HA 0.248 4.718 4.470 -0.000 0.000 0.279 321 S C -1.618 172.811 174.600 -0.286 0.000 1.341 321 S CA -1.024 57.072 58.200 -0.174 0.000 1.043 321 S CB 0.410 63.536 63.200 -0.123 0.000 0.887 321 S HN 0.132 nan 8.310 nan 0.000 0.516 322 P HA 0.371 nan 4.420 nan 0.000 0.282 322 P C -0.643 176.524 177.300 -0.221 0.000 1.287 322 P CA -0.683 62.202 63.100 -0.358 0.000 0.792 322 P CB 0.395 31.794 31.700 -0.503 0.000 1.163 323 A N 0.398 123.158 122.820 -0.099 0.000 2.440 323 A HA 0.451 4.771 4.320 -0.000 0.000 0.251 323 A C 0.257 177.819 177.584 -0.036 0.000 1.089 323 A CA -0.116 51.922 52.037 0.001 0.000 0.779 323 A CB -0.838 18.235 19.000 0.122 0.000 1.022 323 A HN 0.415 nan 8.150 nan 0.000 0.492 324 I N 1.886 122.438 120.570 -0.029 0.000 2.545 324 I HA 0.544 4.714 4.170 -0.000 0.000 0.292 324 I C 0.071 176.250 176.117 0.103 0.000 1.040 324 I CA -0.246 61.013 61.300 -0.069 0.000 1.068 324 I CB 2.462 40.390 38.000 -0.120 0.000 1.251 324 I HN 0.763 nan 8.210 nan 0.000 0.424 325 S N 3.765 119.570 115.700 0.174 0.000 2.537 325 S HA 0.832 5.302 4.470 -0.000 0.000 0.270 325 S C -1.068 173.660 174.600 0.213 0.000 1.142 325 S CA -0.821 57.529 58.200 0.250 0.000 0.870 325 S CB 1.978 65.344 63.200 0.277 0.000 1.112 325 S HN 0.786 nan 8.310 nan 0.000 0.466 326 A N 2.087 125.008 122.820 0.168 0.000 2.322 326 A HA 0.598 4.918 4.320 -0.000 0.000 0.327 326 A C 1.175 178.765 177.584 0.009 0.000 1.394 326 A CA -0.205 51.856 52.037 0.040 0.000 0.921 326 A CB -0.144 18.769 19.000 -0.145 0.000 1.153 326 A HN 1.371 nan 8.150 nan 0.000 0.523 327 T N -0.278 114.296 114.554 0.034 0.000 2.977 327 T HA -0.073 4.277 4.350 -0.000 0.000 0.271 327 T C 1.690 176.357 174.700 -0.055 0.000 1.105 327 T CA 1.374 63.453 62.100 -0.035 0.000 1.116 327 T CB -0.225 68.606 68.868 -0.061 0.000 0.878 327 T HN 0.838 nan 8.240 nan 0.000 0.509 328 A N 1.604 124.402 122.820 -0.035 0.000 2.019 328 A HA 0.342 4.662 4.320 -0.000 0.000 0.219 328 A C 2.743 180.295 177.584 -0.053 0.000 1.164 328 A CA 1.431 53.445 52.037 -0.038 0.000 0.644 328 A CB -1.199 17.747 19.000 -0.091 0.000 0.805 328 A HN 0.721 nan 8.150 nan 0.000 0.449 329 A N -0.891 121.882 122.820 -0.077 0.000 2.019 329 A HA -0.062 4.258 4.320 -0.000 0.000 0.219 329 A C 2.164 179.715 177.584 -0.054 0.000 1.164 329 A CA 1.744 53.737 52.037 -0.073 0.000 0.644 329 A CB -0.396 18.560 19.000 -0.074 0.000 0.805 329 A HN 0.560 nan 8.150 nan 0.000 0.449 330 M N -1.408 118.156 119.600 -0.060 0.000 2.412 330 M HA -0.038 4.442 4.480 -0.000 0.000 0.263 330 M C 2.314 178.581 176.300 -0.054 0.000 1.122 330 M CA 1.680 56.941 55.300 -0.065 0.000 1.179 330 M CB -0.022 32.515 32.600 -0.106 0.000 1.335 330 M HN 0.578 nan 8.290 nan 0.000 0.465 331 T N -2.288 112.231 114.554 -0.059 0.000 3.057 331 T HA 0.418 4.768 4.350 -0.000 0.000 0.254 331 T C 0.997 175.709 174.700 0.020 0.000 1.094 331 T CA 0.424 62.510 62.100 -0.023 0.000 1.088 331 T CB -0.053 68.815 68.868 -0.000 0.000 0.934 331 T HN 0.556 nan 8.240 nan 0.000 0.497 332 G N 1.022 109.842 108.800 0.035 0.000 2.796 332 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.571 332 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.571 332 G C -0.833 174.129 174.900 0.103 0.000 1.370 332 G CA -0.356 44.796 45.100 0.086 0.000 0.856 332 G HN 0.912 nan 8.290 nan 0.000 0.538 333 H N 0.089 119.166 119.070 0.011 0.000 2.597 333 H HA 0.609 5.165 4.556 -0.000 0.000 0.303 333 H C 1.485 176.743 175.328 -0.117 0.000 1.057 333 H CA 0.345 56.312 56.048 -0.134 0.000 1.261 333 H CB 0.843 30.374 29.762 -0.385 0.000 1.397 333 H HN 0.881 nan 8.280 nan 0.000 0.461 334 S N 5.095 120.552 115.700 -0.405 0.000 2.743 334 S HA 0.127 4.597 4.470 -0.000 0.000 0.230 334 S C 1.119 175.427 174.600 -0.486 0.000 0.950 334 S CA -0.033 57.961 58.200 -0.345 0.000 0.976 334 S CB -0.903 62.178 63.200 -0.199 0.000 0.779 334 S HN 0.774 nan 8.310 nan 0.000 0.487 335 L N -0.015 120.615 121.223 -0.988 0.000 4.990 335 L HA -0.364 3.976 4.340 -0.000 0.000 0.053 335 L C 2.308 178.976 176.870 -0.338 0.000 3.174 335 L CA 1.531 55.952 54.840 -0.698 0.000 1.483 335 L CB -1.965 39.887 42.059 -0.346 0.000 2.968 335 L HN 0.448 nan 8.230 nan 0.000 0.908 336 G N -1.204 107.502 108.800 -0.158 0.000 2.479 336 G HA2 0.029 3.989 3.960 -0.000 0.000 0.220 336 G HA3 0.029 3.989 3.960 -0.000 0.000 0.220 336 G C 1.236 176.088 174.900 -0.079 0.000 1.115 336 G CA 1.229 46.288 45.100 -0.069 0.000 0.757 336 G HN 0.850 nan 8.290 nan 0.000 0.560 337 A N 0.257 123.007 122.820 -0.117 0.000 2.195 337 A HA 0.654 4.974 4.320 -0.000 0.000 0.210 337 A C 2.558 180.053 177.584 -0.148 0.000 1.165 337 A CA 1.257 53.229 52.037 -0.108 0.000 0.806 337 A CB -0.202 18.744 19.000 -0.090 0.000 0.847 337 A HN 0.520 nan 8.150 nan 0.000 0.482 338 A N 0.229 122.940 122.820 -0.182 0.000 1.908 338 A HA 0.050 4.370 4.320 -0.000 0.000 0.218 338 A C 2.359 179.871 177.584 -0.119 0.000 1.181 338 A CA 2.011 53.959 52.037 -0.148 0.000 0.627 338 A CB -1.367 17.549 19.000 -0.139 0.000 0.818 338 A HN 0.702 nan 8.150 nan 0.000 0.445 339 G N -0.875 107.861 108.800 -0.106 0.000 2.491 339 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.218 339 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.218 339 G C 1.667 176.481 174.900 -0.144 0.000 1.180 339 G CA 1.454 46.486 45.100 -0.113 0.000 0.774 339 G HN 0.667 nan 8.290 nan 0.000 0.562 340 V N 0.075 119.897 119.914 -0.153 0.000 2.453 340 V HA -0.085 4.035 4.120 -0.000 0.000 0.247 340 V C 2.720 178.650 176.094 -0.273 0.000 1.048 340 V CA 2.406 64.599 62.300 -0.179 0.000 1.049 340 V CB -0.207 31.529 31.823 -0.144 0.000 0.672 340 V HN 0.520 nan 8.190 nan 0.000 0.457 341 Q N -0.389 119.211 119.800 -0.334 0.000 2.079 341 Q HA -0.244 4.096 4.340 -0.000 0.000 0.200 341 Q C 2.188 177.592 176.000 -0.993 0.000 0.974 341 Q CA 2.132 57.562 55.803 -0.621 0.000 0.840 341 Q CB -0.133 28.303 28.738 -0.502 0.000 0.898 341 Q HN 0.702 nan 8.270 nan 0.000 0.430 342 E N 0.422 120.312 120.200 -0.517 0.000 2.150 342 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 342 E C 1.883 178.391 176.600 -0.154 0.000 0.985 342 E CA 0.808 57.072 56.400 -0.228 0.000 0.814 342 E CB -0.039 29.652 29.700 -0.014 0.000 0.752 342 E HN 0.345 nan 8.360 nan 0.000 0.466 343 A N 0.878 123.586 122.820 -0.187 0.000 1.902 343 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 343 A C 2.134 179.628 177.584 -0.149 0.000 1.181 343 A CA 1.006 52.966 52.037 -0.128 0.000 0.623 343 A CB -0.483 18.435 19.000 -0.136 0.000 0.818 343 A HN 0.157 nan 8.150 nan 0.000 0.443 344 I N -1.501 118.915 120.570 -0.257 0.000 2.252 344 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 344 I C 2.310 178.369 176.117 -0.097 0.000 1.102 344 I CA 1.217 62.375 61.300 -0.238 0.000 1.385 344 I CB -0.427 37.392 38.000 -0.302 0.000 1.064 344 I HN 0.379 nan 8.210 nan 0.000 0.414 345 Y N 0.838 121.117 120.300 -0.035 0.000 2.165 345 Y HA -0.216 4.334 4.550 -0.000 0.000 0.286 345 Y C 2.935 178.812 175.900 -0.038 0.000 1.155 345 Y CA 0.970 59.061 58.100 -0.015 0.000 1.164 345 Y CB -1.367 37.093 38.460 0.001 0.000 0.978 345 Y HN 0.115 nan 8.280 nan 0.000 0.513 346 S N 0.044 115.829 115.700 0.142 0.000 2.383 346 S HA -0.129 4.341 4.470 -0.000 0.000 0.227 346 S C 2.164 176.781 174.600 0.028 0.000 1.026 346 S CA 1.079 59.348 58.200 0.115 0.000 0.981 346 S CB -0.618 62.674 63.200 0.153 0.000 0.818 346 S HN 0.355 nan 8.310 nan 0.000 0.472 347 L N 0.966 122.189 121.223 0.001 0.000 2.093 347 L HA -0.058 4.282 4.340 -0.000 0.000 0.208 347 L C 2.176 179.072 176.870 0.044 0.000 1.085 347 L CA 0.951 55.783 54.840 -0.014 0.000 0.755 347 L CB -0.515 41.460 42.059 -0.140 0.000 0.904 347 L HN 0.293 nan 8.230 nan 0.000 0.435 348 L N -1.194 120.078 121.223 0.082 0.000 2.093 348 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 348 L C 2.604 179.627 176.870 0.255 0.000 1.085 348 L CA 1.164 56.166 54.840 0.270 0.000 0.755 348 L CB -0.321 41.934 42.059 0.328 0.000 0.904 348 L HN 0.304 nan 8.230 nan 0.000 0.435 349 M N -0.804 118.735 119.600 -0.101 0.000 2.132 349 M HA -0.212 4.268 4.480 -0.000 0.000 0.263 349 M C 2.280 178.455 176.300 -0.209 0.000 1.065 349 M CA 1.544 56.506 55.300 -0.564 0.000 1.122 349 M CB -0.262 31.805 32.600 -0.888 0.000 1.365 349 M HN 0.215 nan 8.290 nan 0.000 0.411 350 L N 0.554 121.727 121.223 -0.083 0.000 2.056 350 L HA -0.152 4.188 4.340 -0.000 0.000 0.207 350 L C 2.213 179.095 176.870 0.020 0.000 1.078 350 L CA 1.993 56.824 54.840 -0.015 0.000 0.749 350 L CB -0.582 41.491 42.059 0.022 0.000 0.901 350 L HN 0.209 nan 8.230 nan 0.000 0.433 351 E N -1.122 119.104 120.200 0.043 0.000 2.072 351 E HA -0.208 4.142 4.350 -0.000 0.000 0.191 351 E C 1.732 178.221 176.600 -0.184 0.000 0.985 351 E CA 1.554 57.928 56.400 -0.044 0.000 0.801 351 E CB -0.142 29.563 29.700 0.007 0.000 0.750 351 E HN 0.634 nan 8.360 nan 0.000 0.452 352 H N -1.001 118.192 119.070 0.205 0.000 2.529 352 H HA 0.277 4.833 4.556 -0.000 0.000 0.277 352 H C 0.488 175.968 175.328 0.253 0.000 1.004 352 H CA 0.524 56.713 56.048 0.235 0.000 1.167 352 H CB 0.345 30.290 29.762 0.305 0.000 1.445 352 H HN 0.276 nan 8.280 nan 0.000 0.554 353 G N 2.091 111.025 108.800 0.223 0.000 2.363 353 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.286 353 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.286 353 G C -0.247 174.793 174.900 0.234 0.000 0.975 353 G CA 0.862 46.051 45.100 0.149 0.000 1.309 353 G HN 0.534 nan 8.290 nan 0.000 0.491 354 F N -1.412 118.525 119.950 -0.022 0.000 2.741 354 F HA 0.789 5.316 4.527 -0.000 0.000 0.311 354 F C -0.994 174.715 175.800 -0.152 0.000 1.149 354 F CA -2.213 55.752 58.000 -0.058 0.000 0.930 354 F CB 1.114 40.094 39.000 -0.034 0.000 1.312 354 F HN 0.082 nan 8.300 nan 0.000 0.450 355 I N 2.858 123.281 120.570 -0.245 0.000 2.389 355 I HA 0.615 4.785 4.170 -0.000 0.000 0.288 355 I C 0.112 176.114 176.117 -0.191 0.000 0.999 355 I CA -1.073 59.943 61.300 -0.474 0.000 1.129 355 I CB 1.651 39.512 38.000 -0.232 0.000 1.288 355 I HN 0.963 nan 8.210 nan 0.000 0.444 356 A N 9.303 131.919 122.820 -0.340 0.000 2.462 356 A HA 0.448 4.768 4.320 -0.000 0.000 0.243 356 A C -2.317 175.280 177.584 0.022 0.000 1.076 356 A CA -0.978 51.065 52.037 0.009 0.000 0.773 356 A CB -0.370 18.605 19.000 -0.042 0.000 1.010 356 A HN 0.429 nan 8.150 nan 0.000 0.493 357 P HA 0.119 nan 4.420 nan 0.000 0.278 357 P C -0.344 176.989 177.300 0.055 0.000 1.238 357 P CA -0.198 62.935 63.100 0.054 0.000 0.794 357 P CB 1.197 32.923 31.700 0.042 0.000 0.955 358 S N 2.813 118.561 115.700 0.079 0.000 2.473 358 S HA 0.350 4.820 4.470 -0.000 0.000 0.312 358 S C 0.674 175.311 174.600 0.061 0.000 1.087 358 S CA -0.811 57.444 58.200 0.092 0.000 1.077 358 S CB -1.356 61.952 63.200 0.179 0.000 1.065 358 S HN 0.338 nan 8.310 nan 0.000 0.510 359 I N 1.861 122.445 120.570 0.022 0.000 3.156 359 I HA 0.461 4.631 4.170 -0.000 0.000 0.306 359 I C 0.458 176.573 176.117 -0.005 0.000 1.048 359 I CA -0.587 60.718 61.300 0.007 0.000 1.207 359 I CB 0.265 38.258 38.000 -0.011 0.000 1.456 359 I HN 0.490 nan 8.210 nan 0.000 0.616 360 N N 0.886 119.578 118.700 -0.013 0.000 2.741 360 N HA -0.177 4.563 4.740 -0.000 0.000 0.251 360 N C -0.491 175.013 175.510 -0.010 0.000 1.112 360 N CA 0.980 54.011 53.050 -0.031 0.000 0.750 360 N CB -1.431 37.009 38.487 -0.079 0.000 1.119 360 N HN 0.609 nan 8.380 nan 0.000 0.561 361 I N 1.222 121.806 120.570 0.025 0.000 2.257 361 I HA 0.049 4.219 4.170 -0.000 0.000 0.290 361 I C 1.386 177.530 176.117 0.046 0.000 1.137 361 I CA -0.110 61.223 61.300 0.055 0.000 1.255 361 I CB 0.204 38.257 38.000 0.089 0.000 1.485 361 I HN 0.025 nan 8.210 nan 0.000 0.534 362 E N 3.244 123.466 120.200 0.036 0.000 2.216 362 E HA -0.071 4.279 4.350 -0.000 0.000 0.192 362 E C 0.630 177.257 176.600 0.045 0.000 0.988 362 E CA 0.698 57.113 56.400 0.025 0.000 0.834 362 E CB 0.384 30.082 29.700 -0.003 0.000 0.772 362 E HN 0.508 nan 8.360 nan 0.000 0.479 363 E N 1.158 121.407 120.200 0.081 0.000 2.528 363 E HA 0.119 4.469 4.350 -0.000 0.000 0.277 363 E C -1.369 175.300 176.600 0.113 0.000 0.980 363 E CA -0.536 55.926 56.400 0.103 0.000 0.796 363 E CB 0.829 30.622 29.700 0.156 0.000 1.427 363 E HN -0.059 nan 8.360 nan 0.000 0.394 364 L N 3.924 125.199 121.223 0.086 0.000 2.540 364 L HA 0.055 4.395 4.340 -0.000 0.000 0.276 364 L C 0.270 177.189 176.870 0.082 0.000 1.212 364 L CA 0.716 55.608 54.840 0.086 0.000 0.893 364 L CB 0.520 42.609 42.059 0.051 0.000 1.138 364 L HN 0.548 nan 8.230 nan 0.000 0.491 365 D N 3.715 124.175 120.400 0.099 0.000 2.472 365 D HA -0.072 4.568 4.640 -0.000 0.000 0.237 365 D C 0.843 177.172 176.300 0.049 0.000 1.141 365 D CA 0.246 54.295 54.000 0.082 0.000 0.875 365 D CB 0.853 41.718 40.800 0.110 0.000 1.192 365 D HN 0.722 nan 8.370 nan 0.000 0.450 366 E N 2.034 122.258 120.200 0.040 0.000 2.070 366 E HA -0.254 4.096 4.350 -0.000 0.000 0.197 366 E C 1.622 178.232 176.600 0.018 0.000 1.004 366 E CA 1.095 57.510 56.400 0.026 0.000 0.805 366 E CB -0.004 29.710 29.700 0.024 0.000 0.744 366 E HN 0.595 nan 8.360 nan 0.000 0.451 367 Q N -0.317 119.498 119.800 0.024 0.000 2.561 367 Q HA -0.026 4.314 4.340 -0.000 0.000 0.217 367 Q C 1.561 177.559 176.000 -0.003 0.000 0.980 367 Q CA 0.588 56.402 55.803 0.019 0.000 0.927 367 Q CB 0.132 28.891 28.738 0.035 0.000 0.980 367 Q HN 0.218 nan 8.270 nan 0.000 0.525 368 A N 0.562 123.369 122.820 -0.021 0.000 2.220 368 A HA 0.381 4.701 4.320 -0.000 0.000 0.211 368 A C 1.054 178.595 177.584 -0.072 0.000 1.176 368 A CA 0.135 52.120 52.037 -0.087 0.000 0.834 368 A CB 0.165 19.090 19.000 -0.125 0.000 0.868 368 A HN 0.303 nan 8.150 nan 0.000 0.488 369 A N -0.821 121.979 122.820 -0.033 0.000 2.561 369 A HA 0.418 4.738 4.320 -0.000 0.000 0.234 369 A C 1.628 179.197 177.584 -0.026 0.000 1.055 369 A CA 0.776 52.798 52.037 -0.024 0.000 0.756 369 A CB -0.596 18.400 19.000 -0.008 0.000 0.986 369 A HN 1.979 nan 8.150 nan 0.000 0.505 370 G N 0.377 109.163 108.800 -0.024 0.000 2.176 370 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.253 370 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.253 370 G C 0.023 174.906 174.900 -0.028 0.000 0.979 370 G CA 0.470 45.559 45.100 -0.018 0.000 0.641 370 G HN 0.816 nan 8.290 nan 0.000 0.530 371 L N -0.551 120.641 121.223 -0.052 0.000 2.304 371 L HA 0.614 4.954 4.340 -0.000 0.000 0.268 371 L C 0.181 177.004 176.870 -0.078 0.000 1.010 371 L CA -1.235 53.561 54.840 -0.074 0.000 0.813 371 L CB 1.550 43.541 42.059 -0.113 0.000 1.315 371 L HN 0.046 nan 8.230 nan 0.000 0.445 372 N N 1.757 120.405 118.700 -0.088 0.000 3.091 372 N HA 0.244 4.984 4.740 -0.000 0.000 0.255 372 N C -1.011 174.460 175.510 -0.066 0.000 1.204 372 N CA -0.362 52.649 53.050 -0.065 0.000 0.990 372 N CB 0.082 38.536 38.487 -0.055 0.000 1.260 372 N HN 0.290 nan 8.380 nan 0.000 0.502 373 I N 2.833 123.358 120.570 -0.074 0.000 2.322 373 I HA 0.152 4.322 4.170 -0.000 0.000 0.292 373 I C 0.142 176.264 176.117 0.009 0.000 1.060 373 I CA -0.633 60.633 61.300 -0.056 0.000 1.309 373 I CB 0.575 38.507 38.000 -0.114 0.000 1.415 373 I HN 0.036 nan 8.210 nan 0.000 0.492 374 V N 6.967 126.910 119.914 0.048 0.000 2.432 374 V HA 0.167 4.287 4.120 -0.000 0.000 0.271 374 V C 1.296 177.430 176.094 0.068 0.000 1.046 374 V CA -0.150 62.184 62.300 0.057 0.000 0.945 374 V CB 0.950 32.817 31.823 0.073 0.000 0.992 374 V HN 0.900 nan 8.190 nan 0.000 0.471 375 T N 0.497 115.082 114.554 0.051 0.000 3.085 375 T HA 0.279 4.629 4.350 -0.000 0.000 0.264 375 T C 0.177 174.900 174.700 0.039 0.000 1.019 375 T CA -0.201 61.929 62.100 0.051 0.000 0.910 375 T CB -0.181 68.714 68.868 0.045 0.000 1.059 375 T HN 0.816 nan 8.240 nan 0.000 0.542 376 E N 0.342 120.565 120.200 0.038 0.000 2.308 376 E HA 0.422 4.772 4.350 -0.000 0.000 0.275 376 E C -1.382 175.244 176.600 0.043 0.000 0.890 376 E CA -1.022 55.397 56.400 0.032 0.000 0.754 376 E CB 1.090 30.805 29.700 0.024 0.000 1.207 376 E HN -0.087 nan 8.360 nan 0.000 0.426 377 T N 2.802 117.384 114.554 0.047 0.000 2.822 377 T HA 0.096 4.446 4.350 -0.000 0.000 0.288 377 T C -0.398 174.347 174.700 0.075 0.000 0.991 377 T CA 0.459 62.609 62.100 0.082 0.000 1.176 377 T CB 0.154 69.051 68.868 0.049 0.000 0.951 377 T HN 0.461 nan 8.240 nan 0.000 0.526 378 T N 4.064 118.680 114.554 0.102 0.000 2.841 378 T HA 0.242 4.592 4.350 -0.000 0.000 0.285 378 T C -0.487 174.277 174.700 0.105 0.000 0.991 378 T CA -0.951 61.194 62.100 0.074 0.000 0.966 378 T CB 1.188 70.083 68.868 0.045 0.000 0.962 378 T HN 0.449 nan 8.240 nan 0.000 0.438 379 D N 3.054 123.507 120.400 0.088 0.000 2.348 379 D HA 0.334 4.974 4.640 -0.000 0.000 0.253 379 D C 0.287 176.629 176.300 0.069 0.000 1.161 379 D CA 0.115 54.177 54.000 0.104 0.000 0.876 379 D CB 1.150 41.991 40.800 0.069 0.000 1.160 379 D HN 0.384 nan 8.370 nan 0.000 0.459 380 R N 1.508 122.049 120.500 0.069 0.000 2.594 380 R HA 0.049 4.389 4.340 -0.000 0.000 0.265 380 R C -1.038 175.282 176.300 0.034 0.000 1.070 380 R CA -0.624 55.499 56.100 0.038 0.000 0.909 380 R CB 1.629 31.941 30.300 0.020 0.000 1.243 380 R HN 0.171 nan 8.270 nan 0.000 0.455 381 E N 5.766 125.983 120.200 0.029 0.000 1.858 381 E HA 0.098 4.448 4.350 -0.000 0.000 0.267 381 E C -0.686 175.924 176.600 0.017 0.000 1.215 381 E CA -0.013 56.402 56.400 0.025 0.000 0.952 381 E CB 0.013 29.726 29.700 0.022 0.000 1.058 381 E HN 0.426 nan 8.360 nan 0.000 0.407 382 L N 2.809 124.038 121.223 0.011 0.000 2.395 382 L HA 0.226 4.566 4.340 -0.000 0.000 0.269 382 L C 1.411 178.291 176.870 0.017 0.000 1.133 382 L CA -0.278 54.569 54.840 0.012 0.000 0.812 382 L CB 1.078 43.133 42.059 -0.007 0.000 1.125 382 L HN 0.347 nan 8.230 nan 0.000 0.452 383 T N -1.368 113.201 114.554 0.025 0.000 3.057 383 T HA 0.084 4.434 4.350 -0.000 0.000 0.254 383 T C 0.258 174.976 174.700 0.030 0.000 0.965 383 T CA 0.262 62.375 62.100 0.022 0.000 0.978 383 T CB 0.681 69.561 68.868 0.019 0.000 1.169 383 T HN 0.607 nan 8.240 nan 0.000 0.489 384 T N 2.953 117.531 114.554 0.041 0.000 2.841 384 T HA 0.682 5.032 4.350 -0.000 0.000 0.285 384 T C -0.698 174.040 174.700 0.064 0.000 0.991 384 T CA -0.692 61.437 62.100 0.049 0.000 0.966 384 T CB 2.023 70.921 68.868 0.050 0.000 0.962 384 T HN 0.215 nan 8.240 nan 0.000 0.438 385 V N 1.107 121.063 119.914 0.070 0.000 2.960 385 V HA 0.882 5.002 4.120 -0.000 0.000 0.315 385 V C -0.623 175.499 176.094 0.047 0.000 1.087 385 V CA -1.253 61.100 62.300 0.088 0.000 0.982 385 V CB 2.150 34.070 31.823 0.161 0.000 1.039 385 V HN 0.981 nan 8.190 nan 0.000 0.437 386 M N 2.675 122.270 119.600 -0.009 0.000 2.518 386 M HA 0.771 5.251 4.480 -0.000 0.000 0.300 386 M C -1.084 175.177 176.300 -0.066 0.000 1.175 386 M CA -0.276 55.017 55.300 -0.011 0.000 0.890 386 M CB 2.262 34.880 32.600 0.029 0.000 1.710 386 M HN 0.988 nan 8.290 nan 0.000 0.453 387 S N 2.934 118.611 115.700 -0.038 0.000 2.614 387 S HA 0.588 5.058 4.470 -0.000 0.000 0.288 387 S C -1.580 172.959 174.600 -0.101 0.000 1.137 387 S CA -0.787 57.372 58.200 -0.068 0.000 0.992 387 S CB 1.040 64.214 63.200 -0.044 0.000 1.026 387 S HN 0.846 nan 8.310 nan 0.000 0.486 388 N N 2.143 120.740 118.700 -0.171 0.000 2.443 388 N HA 0.563 5.303 4.740 -0.000 0.000 0.295 388 N C -1.309 173.860 175.510 -0.569 0.000 1.076 388 N CA -0.420 52.390 53.050 -0.399 0.000 0.919 388 N CB 1.853 40.055 38.487 -0.475 0.000 1.176 388 N HN 0.482 nan 8.380 nan 0.000 0.487 389 S N 1.510 116.730 115.700 -0.798 0.000 2.736 389 S HA 0.543 5.013 4.470 -0.000 0.000 0.285 389 S C -1.343 172.820 174.600 -0.728 0.000 1.163 389 S CA -0.615 57.234 58.200 -0.584 0.000 1.025 389 S CB 0.306 63.345 63.200 -0.268 0.000 1.030 389 S HN 0.287 nan 8.310 nan 0.000 0.486 390 F N 1.405 121.000 119.950 -0.591 0.000 2.477 390 F HA 0.763 5.290 4.527 -0.000 0.000 0.335 390 F C 0.739 176.277 175.800 -0.437 0.000 1.130 390 F CA -0.926 56.770 58.000 -0.506 0.000 0.948 390 F CB 1.610 40.303 39.000 -0.512 0.000 1.154 390 F HN 0.634 nan 8.300 nan 0.000 0.439 391 G N 1.730 110.562 108.800 0.054 0.000 2.644 391 G HA2 0.579 4.539 3.960 -0.000 0.000 0.307 391 G HA3 0.579 4.539 3.960 -0.000 0.000 0.307 391 G C -0.830 174.218 174.900 0.246 0.000 1.250 391 G CA -0.874 44.272 45.100 0.076 0.000 0.996 391 G HN 0.461 nan 8.290 nan 0.000 0.489 392 F N -0.168 119.870 119.950 0.147 0.000 2.589 392 F HA 0.279 4.806 4.527 -0.000 0.000 0.352 392 F C 1.705 177.565 175.800 0.100 0.000 1.168 392 F CA 1.181 59.260 58.000 0.131 0.000 1.353 392 F CB 0.836 39.932 39.000 0.159 0.000 1.116 392 F HN 0.823 nan 8.300 nan 0.000 0.608 393 G N 0.941 109.897 108.800 0.259 0.000 2.157 393 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.248 393 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.248 393 G C 0.667 175.637 174.900 0.117 0.000 0.979 393 G CA 0.097 45.287 45.100 0.149 0.000 0.650 393 G HN 1.780 nan 8.290 nan 0.000 0.529 394 G N -1.081 107.797 108.800 0.130 0.000 2.295 394 G HA2 0.081 4.041 3.960 -0.000 0.000 0.287 394 G HA3 0.081 4.041 3.960 -0.000 0.000 0.287 394 G C 0.326 175.282 174.900 0.094 0.000 1.055 394 G CA 1.351 46.501 45.100 0.083 0.000 0.922 394 G HN 1.926 nan 8.290 nan 0.000 0.503 395 T N 0.404 115.046 114.554 0.148 0.000 2.767 395 T HA 0.581 4.931 4.350 -0.000 0.000 0.284 395 T C -0.024 174.824 174.700 0.246 0.000 0.973 395 T CA -0.618 61.599 62.100 0.195 0.000 0.996 395 T CB 0.366 69.374 68.868 0.232 0.000 0.927 395 T HN 0.333 nan 8.240 nan 0.000 0.456 396 N N 2.834 121.695 118.700 0.268 0.000 2.269 396 N HA 0.707 5.447 4.740 -0.000 0.000 0.304 396 N C -1.303 174.327 175.510 0.201 0.000 1.072 396 N CA -0.634 52.612 53.050 0.326 0.000 0.802 396 N CB 2.146 40.802 38.487 0.282 0.000 1.348 396 N HN 0.737 nan 8.380 nan 0.000 0.484 397 A N 0.742 123.576 122.820 0.023 0.000 2.422 397 A HA 0.774 5.094 4.320 -0.000 0.000 0.302 397 A C -0.832 176.719 177.584 -0.055 0.000 1.041 397 A CA -0.480 51.483 52.037 -0.122 0.000 0.708 397 A CB 1.421 20.099 19.000 -0.536 0.000 1.257 397 A HN 0.452 nan 8.150 nan 0.000 0.414 398 T N 2.163 116.741 114.554 0.039 0.000 2.916 398 T HA 0.609 4.959 4.350 -0.000 0.000 0.298 398 T C -0.951 173.820 174.700 0.118 0.000 1.031 398 T CA -0.247 61.880 62.100 0.044 0.000 0.993 398 T CB 0.949 69.865 68.868 0.080 0.000 1.045 398 T HN 0.509 nan 8.240 nan 0.000 0.454 399 L N 2.600 123.866 121.223 0.071 0.000 2.365 399 L HA 0.791 5.131 4.340 -0.000 0.000 0.273 399 L C -0.866 176.040 176.870 0.061 0.000 1.000 399 L CA -1.142 53.750 54.840 0.087 0.000 0.819 399 L CB 2.131 44.205 42.059 0.025 0.000 1.284 399 L HN 0.333 nan 8.230 nan 0.000 0.418 400 V N 3.770 123.728 119.914 0.073 0.000 2.444 400 V HA 0.515 4.635 4.120 -0.000 0.000 0.294 400 V C -0.181 175.942 176.094 0.049 0.000 1.022 400 V CA -0.337 62.001 62.300 0.063 0.000 0.850 400 V CB 1.804 33.673 31.823 0.077 0.000 0.992 400 V HN 0.711 nan 8.190 nan 0.000 0.426 401 M N 5.030 124.655 119.600 0.041 0.000 2.465 401 M HA 0.679 5.159 4.480 -0.000 0.000 0.316 401 M C -0.518 175.803 176.300 0.036 0.000 1.121 401 M CA -0.386 54.932 55.300 0.031 0.000 0.934 401 M CB 2.526 35.140 32.600 0.023 0.000 1.692 401 M HN 0.576 nan 8.290 nan 0.000 0.444 402 R N 1.446 121.963 120.500 0.028 0.000 2.651 402 R HA 0.469 4.809 4.340 -0.000 0.000 0.278 402 R C -1.148 175.160 176.300 0.014 0.000 1.010 402 R CA -0.797 55.318 56.100 0.025 0.000 0.896 402 R CB 2.013 32.328 30.300 0.025 0.000 1.211 402 R HN 0.655 nan 8.270 nan 0.000 0.456 403 K N 2.329 122.735 120.400 0.009 0.000 2.397 403 K HA 0.065 4.385 4.320 -0.000 0.000 0.265 403 K C -0.259 176.333 176.600 -0.014 0.000 0.982 403 K CA 0.247 56.530 56.287 -0.007 0.000 0.931 403 K CB 0.497 32.992 32.500 -0.009 0.000 0.943 403 K HN 0.422 nan 8.250 nan 0.000 0.501 404 L N 2.845 124.049 121.223 -0.032 0.000 2.551 404 L HA 0.248 4.588 4.340 -0.000 0.000 0.248 404 L C -0.874 175.971 176.870 -0.042 0.000 1.509 404 L CA -0.120 54.701 54.840 -0.032 0.000 0.842 404 L CB 0.281 42.320 42.059 -0.033 0.000 1.087 404 L HN 0.661 nan 8.230 nan 0.000 0.512 405 K N -0.231 120.148 120.400 -0.035 0.000 3.558 405 K HA 0.236 4.556 4.320 -0.000 0.000 0.437 405 K C -1.571 175.013 176.600 -0.027 0.000 0.918 405 K CA -0.280 55.985 56.287 -0.037 0.000 0.758 405 K CB 0.392 32.858 32.500 -0.056 0.000 1.442 405 K HN 0.269 nan 8.250 nan 0.000 0.542 406 D N 0.000 120.384 120.400 -0.027 0.000 6.856 406 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 406 D CA 0.000 53.989 54.000 -0.019 0.000 0.868 406 D CB 0.000 40.790 40.800 -0.017 0.000 0.688 406 D HN 0.000 nan 8.370 nan 0.000 0.683