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 3oe7_1_M DATA FIRST_RESID 6 DATA SEQUENCE STPITGKVTA VIGAIVDVHF EQSELPAILN ALEIKTPQGK LVLEVAQHLG DATA SEQUENCE ENTVRTIAMD GTEGLVRGEK VLDTGGPISV PVGRETLGRI INVIGEPIDE DATA SEQUENCE RGPIKSKLRK PIHADPPSFA EQSTSAEILE TGIKVVDLLA PYARGGKIGL DATA SEQUENCE FGGAGVGKTV FIQELINNIA KAHGGFSVFT GVGERTREGN DLYREMKETG DATA SEQUENCE VINLEGESKV ALVFGQMNEP PGARARVALT GLTIAEYFRD EEGQDVLLFI DATA SEQUENCE DNIFRFTQAG SEVSALLGRI PSAVGYQPTL ATDMGLLQER ITTTKKGSVT DATA SEQUENCE SVQAVYVPAD DLTDPAPATT FAHLDATTVL SRGISELGIY PAVDPLDSKS DATA SEQUENCE RLLDAAVVGQ EHYDVASKVQ ETLQTYKSLQ DIIAILGMDE LSEQDKLTVE DATA SEQUENCE RARKIQRFLS QPFAVAEVFT GIPGKLVRLK DTVASFKAVL EGKYDNIPEH DATA SEQUENCE AFYMVGGIED VVAKAEKLAA 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 6 S HA 0.000 nan 4.470 nan 0.000 0.327 6 S C 0.000 174.604 174.600 0.006 0.000 1.055 6 S CA 0.000 58.202 58.200 0.004 0.000 1.107 6 S CB 0.000 63.202 63.200 0.002 0.000 0.593 7 T N 2.476 117.034 114.554 0.007 0.000 2.965 7 T HA 0.776 5.126 4.350 -0.000 0.000 0.306 7 T C -3.188 171.521 174.700 0.014 0.000 0.991 7 T CA -1.017 61.090 62.100 0.010 0.000 1.001 7 T CB 1.251 70.125 68.868 0.009 0.000 0.984 7 T HN 0.205 nan 8.240 nan 0.000 0.446 8 P HA 0.603 nan 4.420 nan 0.000 0.282 8 P C -0.692 176.636 177.300 0.046 0.000 1.249 8 P CA -0.801 62.316 63.100 0.030 0.000 0.806 8 P CB 0.730 32.449 31.700 0.031 0.000 0.984 9 I N 1.202 121.806 120.570 0.057 0.000 2.342 9 I HA 0.282 4.452 4.170 -0.000 0.000 0.291 9 I C 0.353 176.587 176.117 0.195 0.000 1.010 9 I CA 0.115 61.473 61.300 0.098 0.000 1.308 9 I CB 1.053 39.073 38.000 0.032 0.000 1.400 9 I HN 0.244 nan 8.210 nan 0.000 0.488 10 T N 4.224 118.916 114.554 0.230 0.000 2.876 10 T HA 0.707 5.057 4.350 -0.000 0.000 0.289 10 T C -0.036 174.711 174.700 0.078 0.000 1.014 10 T CA -0.637 61.566 62.100 0.171 0.000 0.986 10 T CB 1.910 70.820 68.868 0.071 0.000 1.021 10 T HN 0.832 nan 8.240 nan 0.000 0.458 11 G N 1.554 110.205 108.800 -0.250 0.000 2.733 11 G HA2 0.734 4.694 3.960 -0.000 0.000 0.288 11 G HA3 0.734 4.694 3.960 -0.000 0.000 0.288 11 G C -1.646 173.017 174.900 -0.396 0.000 1.373 11 G CA -0.803 43.844 45.100 -0.754 0.000 0.895 11 G HN 0.554 nan 8.290 nan 0.000 0.479 12 K N 0.381 120.582 120.400 -0.331 0.000 2.376 12 K HA 0.449 4.769 4.320 -0.000 0.000 0.257 12 K C -0.572 175.942 176.600 -0.144 0.000 0.939 12 K CA -0.710 55.473 56.287 -0.172 0.000 0.809 12 K CB 2.775 35.208 32.500 -0.112 0.000 1.121 12 K HN 0.254 nan 8.250 nan 0.000 0.425 13 V N 3.199 123.052 119.914 -0.101 0.000 2.509 13 V HA -0.095 4.025 4.120 -0.000 0.000 0.297 13 V C 1.439 177.505 176.094 -0.047 0.000 1.014 13 V CA 0.835 63.098 62.300 -0.062 0.000 1.127 13 V CB 0.310 32.109 31.823 -0.040 0.000 0.925 13 V HN 1.005 nan 8.190 nan 0.000 0.480 14 T N 1.144 115.681 114.554 -0.027 0.000 3.015 14 T HA 0.580 4.930 4.350 -0.000 0.000 0.250 14 T C 0.427 175.121 174.700 -0.011 0.000 1.057 14 T CA 0.481 62.569 62.100 -0.020 0.000 1.066 14 T CB 0.533 69.403 68.868 0.004 0.000 0.959 14 T HN 1.086 nan 8.240 nan 0.000 0.488 15 A N 0.404 123.222 122.820 -0.003 0.000 2.577 15 A HA 0.660 4.980 4.320 -0.000 0.000 0.297 15 A C -1.645 175.940 177.584 0.002 0.000 1.060 15 A CA -0.685 51.352 52.037 -0.000 0.000 0.697 15 A CB 1.686 20.690 19.000 0.007 0.000 1.281 15 A HN 0.210 nan 8.150 nan 0.000 0.402 16 V N 2.945 122.859 119.914 -0.000 0.000 2.409 16 V HA 0.509 4.629 4.120 -0.000 0.000 0.290 16 V C -0.777 175.318 176.094 0.002 0.000 1.017 16 V CA -0.064 62.237 62.300 0.001 0.000 0.841 16 V CB 1.176 32.998 31.823 -0.001 0.000 1.003 16 V HN 0.693 nan 8.190 nan 0.000 0.426 17 I N 4.599 125.171 120.570 0.004 0.000 2.476 17 I HA 0.634 4.804 4.170 -0.000 0.000 0.281 17 I C 0.987 177.105 176.117 0.002 0.000 1.040 17 I CA -0.049 61.252 61.300 0.002 0.000 1.094 17 I CB 1.509 39.510 38.000 0.002 0.000 1.219 17 I HN 0.813 nan 8.210 nan 0.000 0.450 18 G N 4.818 113.618 108.800 0.000 0.000 2.583 18 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.292 18 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.292 18 G C 0.873 175.774 174.900 0.001 0.000 1.203 18 G CA 0.469 45.569 45.100 -0.001 0.000 0.987 18 G HN 0.864 nan 8.290 nan 0.000 0.554 19 A N -0.606 122.214 122.820 0.000 0.000 2.235 19 A HA 0.478 4.798 4.320 -0.000 0.000 0.208 19 A C 0.973 178.561 177.584 0.008 0.000 1.172 19 A CA 1.144 53.183 52.037 0.003 0.000 0.786 19 A CB -0.161 18.839 19.000 -0.000 0.000 0.804 19 A HN 0.654 nan 8.150 nan 0.000 0.479 20 I N 1.091 121.665 120.570 0.007 0.000 2.330 20 I HA 0.326 4.496 4.170 -0.000 0.000 0.289 20 I C -0.650 175.476 176.117 0.015 0.000 1.001 20 I CA -0.675 60.632 61.300 0.012 0.000 1.193 20 I CB 1.071 39.077 38.000 0.009 0.000 1.345 20 I HN -0.165 nan 8.210 nan 0.000 0.461 21 V N 5.801 125.728 119.914 0.022 0.000 2.495 21 V HA 0.393 4.513 4.120 -0.000 0.000 0.298 21 V C -0.353 175.761 176.094 0.033 0.000 1.031 21 V CA -0.766 61.547 62.300 0.022 0.000 0.871 21 V CB 2.282 34.117 31.823 0.021 0.000 0.988 21 V HN 0.549 nan 8.190 nan 0.000 0.432 22 D N 3.117 123.535 120.400 0.028 0.000 2.177 22 D HA 0.602 5.242 4.640 -0.000 0.000 0.247 22 D C -0.585 175.732 176.300 0.029 0.000 1.063 22 D CA -0.005 54.020 54.000 0.042 0.000 0.867 22 D CB 2.227 43.051 40.800 0.040 0.000 1.168 22 D HN 0.262 nan 8.370 nan 0.000 0.445 23 V N 2.418 122.361 119.914 0.047 0.000 2.656 23 V HA 0.218 4.338 4.120 -0.000 0.000 0.307 23 V C -0.268 175.821 176.094 -0.007 0.000 1.051 23 V CA -0.881 61.398 62.300 -0.035 0.000 0.893 23 V CB 2.220 33.993 31.823 -0.083 0.000 0.999 23 V HN 0.563 nan 8.190 nan 0.000 0.426 24 H N 3.831 122.775 119.070 -0.209 0.000 2.457 24 H HA 0.654 5.210 4.556 -0.000 0.000 0.335 24 H C -1.790 173.355 175.328 -0.305 0.000 1.115 24 H CA -0.414 55.560 56.048 -0.124 0.000 1.219 24 H CB 1.508 31.224 29.762 -0.075 0.000 1.471 24 H HN 0.469 nan 8.280 nan 0.000 0.491 25 F N 1.300 121.050 119.950 -0.334 0.000 2.661 25 F HA 0.272 4.799 4.527 -0.000 0.000 0.347 25 F C 0.877 176.514 175.800 -0.271 0.000 1.086 25 F CA -0.870 57.025 58.000 -0.176 0.000 1.016 25 F CB 0.804 39.717 39.000 -0.144 0.000 1.368 25 F HN 0.451 nan 8.300 nan 0.000 0.505 26 E N -0.306 119.975 120.200 0.136 0.000 2.849 26 E HA 0.086 4.436 4.350 -0.000 0.000 0.257 26 E C -0.676 175.927 176.600 0.005 0.000 1.306 26 E CA -0.628 55.811 56.400 0.066 0.000 1.058 26 E CB 0.169 29.921 29.700 0.086 0.000 1.249 26 E HN 0.379 nan 8.360 nan 0.000 0.638 27 Q N 1.002 120.807 119.800 0.007 0.000 2.851 27 Q HA -0.145 4.195 4.340 -0.000 0.000 0.319 27 Q C 0.292 176.266 176.000 -0.043 0.000 1.225 27 Q CA 1.065 56.859 55.803 -0.015 0.000 1.110 27 Q CB -1.161 27.575 28.738 -0.002 0.000 1.128 27 Q HN 0.708 nan 8.270 nan 0.000 0.440 28 S N 1.256 116.913 115.700 -0.072 0.000 2.967 28 S HA -0.384 4.086 4.470 -0.000 0.000 0.297 28 S C 0.449 174.969 174.600 -0.133 0.000 1.312 28 S CA 1.762 59.898 58.200 -0.106 0.000 1.163 28 S CB -1.799 61.355 63.200 -0.078 0.000 1.377 28 S HN 0.890 nan 8.310 nan 0.000 0.724 29 E N 1.454 121.587 120.200 -0.112 0.000 2.888 29 E HA 0.448 4.798 4.350 -0.000 0.000 0.271 29 E C 0.284 176.729 176.600 -0.257 0.000 1.527 29 E CA -0.287 56.033 56.400 -0.133 0.000 1.700 29 E CB -0.487 29.170 29.700 -0.072 0.000 1.410 29 E HN 0.724 nan 8.360 nan 0.000 0.445 30 L N 1.882 122.905 121.223 -0.333 0.000 2.417 30 L HA 0.303 4.643 4.340 -0.000 0.000 0.268 30 L C -1.600 175.002 176.870 -0.447 0.000 1.158 30 L CA -2.208 52.305 54.840 -0.545 0.000 0.819 30 L CB 0.006 41.700 42.059 -0.607 0.000 1.112 30 L HN 0.199 nan 8.230 nan 0.000 0.458 31 P HA 0.173 nan 4.420 nan 0.000 0.275 31 P C -0.752 176.537 177.300 -0.019 0.000 1.228 31 P CA -0.516 62.429 63.100 -0.259 0.000 0.786 31 P CB 0.988 32.509 31.700 -0.299 0.000 0.927 32 A N 3.473 126.285 122.820 -0.013 0.000 2.483 32 A HA 0.141 4.461 4.320 -0.000 0.000 0.238 32 A C 0.687 178.248 177.584 -0.040 0.000 1.070 32 A CA -0.357 51.686 52.037 0.011 0.000 0.770 32 A CB -0.645 18.337 19.000 -0.030 0.000 1.008 32 A HN 0.566 nan 8.150 nan 0.000 0.497 33 I N 1.522 122.000 120.570 -0.153 0.000 2.752 33 I HA -0.080 4.090 4.170 -0.000 0.000 0.289 33 I C 0.712 176.732 176.117 -0.163 0.000 1.197 33 I CA 0.998 62.175 61.300 -0.205 0.000 1.432 33 I CB 0.062 37.893 38.000 -0.282 0.000 1.359 33 I HN 0.751 nan 8.210 nan 0.000 0.571 34 L N 2.340 123.468 121.223 -0.158 0.000 3.853 34 L HA -0.233 4.107 4.340 -0.000 0.000 0.416 34 L C 0.231 177.043 176.870 -0.097 0.000 0.766 34 L CA -0.051 54.661 54.840 -0.214 0.000 2.383 34 L CB -1.533 40.276 42.059 -0.418 0.000 1.276 34 L HN 0.643 nan 8.230 nan 0.000 0.597 35 N N 1.296 119.963 118.700 -0.055 0.000 2.441 35 N HA 0.463 5.203 4.740 -0.000 0.000 0.251 35 N C 0.297 175.817 175.510 0.017 0.000 1.242 35 N CA 0.956 53.997 53.050 -0.015 0.000 0.898 35 N CB 0.783 39.256 38.487 -0.022 0.000 1.100 35 N HN 0.316 nan 8.380 nan 0.000 0.443 36 A N 2.217 125.055 122.820 0.030 0.000 2.331 36 A HA 0.586 4.906 4.320 -0.000 0.000 0.283 36 A C -0.444 177.173 177.584 0.056 0.000 1.142 36 A CA -0.461 51.603 52.037 0.045 0.000 0.812 36 A CB 0.040 19.066 19.000 0.043 0.000 1.074 36 A HN 0.617 nan 8.150 nan 0.000 0.497 37 L N 1.600 122.867 121.223 0.074 0.000 2.333 37 L HA 0.626 4.966 4.340 -0.000 0.000 0.269 37 L C 0.046 176.958 176.870 0.070 0.000 1.010 37 L CA -0.565 54.333 54.840 0.097 0.000 0.818 37 L CB 1.857 44.008 42.059 0.153 0.000 1.306 37 L HN 0.741 nan 8.230 nan 0.000 0.430 38 E N 1.688 121.926 120.200 0.063 0.000 2.299 38 E HA 0.697 5.047 4.350 -0.000 0.000 0.265 38 E C -1.293 175.327 176.600 0.034 0.000 0.911 38 E CA -0.774 55.651 56.400 0.042 0.000 0.789 38 E CB 3.211 32.931 29.700 0.034 0.000 1.246 38 E HN 0.385 nan 8.360 nan 0.000 0.427 39 I N 1.740 122.324 120.570 0.022 0.000 2.512 39 I HA 0.196 4.366 4.170 -0.000 0.000 0.287 39 I C -0.515 175.607 176.117 0.009 0.000 1.069 39 I CA -0.615 60.693 61.300 0.013 0.000 1.056 39 I CB 1.802 39.807 38.000 0.008 0.000 1.229 39 I HN 0.209 nan 8.210 nan 0.000 0.429 40 K N 6.250 126.654 120.400 0.007 0.000 2.220 40 K HA 0.237 4.557 4.320 -0.000 0.000 0.283 40 K C 0.265 176.867 176.600 0.002 0.000 1.098 40 K CA -0.189 56.101 56.287 0.005 0.000 0.928 40 K CB 0.407 32.910 32.500 0.005 0.000 1.214 40 K HN 0.740 nan 8.250 nan 0.000 0.442 41 T N 0.825 115.380 114.554 0.002 0.000 2.732 41 T HA 0.203 4.553 4.350 -0.000 0.000 0.287 41 T C -1.255 173.445 174.700 -0.000 0.000 0.993 41 T CA -1.307 60.793 62.100 0.001 0.000 0.966 41 T CB 0.468 69.337 68.868 0.001 0.000 1.047 41 T HN 0.367 nan 8.240 nan 0.000 0.527 42 P HA -0.032 nan 4.420 nan 0.000 0.228 42 P C 0.738 178.037 177.300 -0.001 0.000 1.151 42 P CA 1.039 64.138 63.100 -0.001 0.000 0.770 42 P CB 0.130 31.829 31.700 -0.002 0.000 0.786 43 Q N -1.431 118.368 119.800 -0.001 0.000 2.511 43 Q HA 0.342 4.682 4.340 -0.000 0.000 0.236 43 Q C 1.581 177.581 176.000 -0.000 0.000 0.893 43 Q CA 1.113 56.915 55.803 -0.001 0.000 0.947 43 Q CB 0.081 28.818 28.738 -0.001 0.000 1.110 43 Q HN 0.242 nan 8.270 nan 0.000 0.591 44 G N 0.372 109.173 108.800 0.001 0.000 3.554 44 G HA2 0.348 4.308 3.960 -0.000 0.000 0.168 44 G HA3 0.348 4.308 3.960 -0.000 0.000 0.168 44 G C -1.352 173.550 174.900 0.004 0.000 1.271 44 G CA -0.221 44.881 45.100 0.002 0.000 1.339 44 G HN 0.077 nan 8.290 nan 0.000 0.731 45 K N -0.778 119.626 120.400 0.006 0.000 2.527 45 K HA 0.730 5.050 4.320 -0.000 0.000 0.260 45 K C -2.123 174.484 176.600 0.011 0.000 0.937 45 K CA -0.865 55.427 56.287 0.009 0.000 0.826 45 K CB 2.599 35.105 32.500 0.011 0.000 1.359 45 K HN 0.562 nan 8.250 nan 0.000 0.434 46 L N 2.523 123.754 121.223 0.013 0.000 2.316 46 L HA 0.362 4.702 4.340 -0.000 0.000 0.280 46 L C -1.368 175.516 176.870 0.022 0.000 1.006 46 L CA -0.530 54.319 54.840 0.016 0.000 0.836 46 L CB 1.719 43.786 42.059 0.013 0.000 1.221 46 L HN 0.569 nan 8.230 nan 0.000 0.418 47 V N 6.521 126.450 119.914 0.025 0.000 2.530 47 V HA 0.324 4.444 4.120 -0.000 0.000 0.282 47 V C 0.155 176.271 176.094 0.037 0.000 1.048 47 V CA -0.240 62.079 62.300 0.032 0.000 0.997 47 V CB 1.036 32.878 31.823 0.031 0.000 0.987 47 V HN 0.587 nan 8.190 nan 0.000 0.477 48 L N 4.581 125.832 121.223 0.047 0.000 2.356 48 L HA 0.576 4.916 4.340 -0.000 0.000 0.277 48 L C 0.001 176.907 176.870 0.059 0.000 0.996 48 L CA -0.358 54.513 54.840 0.052 0.000 0.822 48 L CB 1.906 44.000 42.059 0.058 0.000 1.256 48 L HN 0.633 nan 8.230 nan 0.000 0.413 49 E N 2.635 122.868 120.200 0.055 0.000 2.227 49 E HA 0.378 4.728 4.350 -0.000 0.000 0.282 49 E C -1.032 175.593 176.600 0.041 0.000 1.015 49 E CA -0.722 55.709 56.400 0.052 0.000 0.823 49 E CB 1.848 31.590 29.700 0.069 0.000 1.081 49 E HN 0.346 nan 8.360 nan 0.000 0.396 50 V N 3.833 123.764 119.914 0.029 0.000 2.614 50 V HA 0.224 4.344 4.120 -0.000 0.000 0.291 50 V C 0.822 176.900 176.094 -0.026 0.000 1.049 50 V CA 0.655 62.970 62.300 0.024 0.000 1.038 50 V CB 0.971 32.815 31.823 0.034 0.000 0.980 50 V HN 0.893 nan 8.190 nan 0.000 0.481 51 A N 3.810 126.618 122.820 -0.020 0.000 2.026 51 A HA 0.381 4.701 4.320 -0.000 0.000 0.198 51 A C 0.643 178.182 177.584 -0.075 0.000 1.390 51 A CA 0.138 52.149 52.037 -0.044 0.000 0.915 51 A CB 0.451 19.443 19.000 -0.013 0.000 0.974 51 A HN 0.738 nan 8.150 nan 0.000 0.477 52 Q N -0.792 118.977 119.800 -0.051 0.000 2.416 52 Q HA 0.413 4.753 4.340 -0.000 0.000 0.281 52 Q C -1.722 174.285 176.000 0.013 0.000 1.067 52 Q CA -0.533 55.232 55.803 -0.064 0.000 0.809 52 Q CB 2.017 30.751 28.738 -0.006 0.000 1.418 52 Q HN 0.659 nan 8.270 nan 0.000 0.411 53 H N 2.063 121.130 119.070 -0.005 0.000 2.640 53 H HA 0.220 4.776 4.556 -0.000 0.000 0.297 53 H C 0.526 175.858 175.328 0.006 0.000 1.073 53 H CA -0.344 55.703 56.048 -0.001 0.000 1.305 53 H CB 0.917 30.669 29.762 -0.018 0.000 1.404 53 H HN 0.419 nan 8.280 nan 0.000 0.459 54 L N 2.885 124.190 121.223 0.136 0.000 2.418 54 L HA 0.185 4.525 4.340 -0.000 0.000 0.218 54 L C 1.106 178.014 176.870 0.064 0.000 1.125 54 L CA 0.472 55.360 54.840 0.080 0.000 0.835 54 L CB -0.073 42.027 42.059 0.069 0.000 0.953 54 L HN 0.904 nan 8.230 nan 0.000 0.454 55 G N 0.124 108.962 108.800 0.062 0.000 2.570 55 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.686 55 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.686 55 G C -0.084 174.832 174.900 0.027 0.000 1.257 55 G CA -0.552 44.569 45.100 0.035 0.000 0.846 55 G HN 0.269 nan 8.290 nan 0.000 0.627 56 E N 0.032 120.241 120.200 0.015 0.000 2.320 56 E HA -0.226 4.124 4.350 -0.000 0.000 0.234 56 E C 0.593 177.189 176.600 -0.007 0.000 1.183 56 E CA 0.662 57.076 56.400 0.024 0.000 0.713 56 E CB -1.027 28.708 29.700 0.058 0.000 1.226 56 E HN 1.112 nan 8.360 nan 0.000 0.382 57 N N -0.529 118.125 118.700 -0.078 0.000 2.714 57 N HA -0.158 4.582 4.740 -0.000 0.000 0.253 57 N C -1.134 174.272 175.510 -0.174 0.000 1.024 57 N CA 1.896 54.837 53.050 -0.183 0.000 0.726 57 N CB -0.929 37.383 38.487 -0.292 0.000 0.908 57 N HN 0.271 nan 8.380 nan 0.000 0.542 58 T N -0.499 114.039 114.554 -0.026 0.000 2.937 58 T HA 0.484 4.834 4.350 -0.000 0.000 0.297 58 T C 0.364 175.135 174.700 0.119 0.000 0.991 58 T CA -0.689 61.454 62.100 0.071 0.000 0.990 58 T CB 2.208 71.135 68.868 0.098 0.000 0.991 58 T HN 0.170 nan 8.240 nan 0.000 0.440 59 V N 1.979 122.011 119.914 0.196 0.000 2.716 59 V HA 0.773 4.893 4.120 -0.000 0.000 0.304 59 V C -0.002 176.189 176.094 0.161 0.000 1.053 59 V CA -1.127 61.312 62.300 0.232 0.000 0.984 59 V CB 1.471 33.476 31.823 0.304 0.000 1.021 59 V HN 0.852 nan 8.190 nan 0.000 0.467 60 R N 2.067 122.641 120.500 0.124 0.000 2.445 60 R HA 0.720 5.059 4.340 -0.000 0.000 0.308 60 R C -0.354 175.986 176.300 0.067 0.000 0.961 60 R CA 0.156 56.304 56.100 0.079 0.000 0.862 60 R CB 1.701 32.033 30.300 0.053 0.000 1.144 60 R HN 1.143 nan 8.270 nan 0.000 0.447 61 T N 1.471 116.061 114.554 0.059 0.000 2.907 61 T HA 0.526 4.876 4.350 -0.000 0.000 0.292 61 T C -0.014 174.708 174.700 0.036 0.000 1.043 61 T CA -0.849 61.282 62.100 0.053 0.000 1.003 61 T CB 1.230 70.140 68.868 0.070 0.000 1.084 61 T HN 0.441 nan 8.240 nan 0.000 0.483 62 I N 2.065 122.655 120.570 0.033 0.000 2.339 62 I HA 0.558 4.728 4.170 -0.000 0.000 0.290 62 I C 0.727 176.862 176.117 0.031 0.000 0.994 62 I CA -1.067 60.249 61.300 0.026 0.000 1.191 62 I CB 1.372 39.386 38.000 0.023 0.000 1.343 62 I HN 0.936 nan 8.210 nan 0.000 0.458 63 A N 7.183 130.018 122.820 0.025 0.000 2.388 63 A HA 0.443 4.763 4.320 -0.000 0.000 0.257 63 A C 0.790 178.388 177.584 0.024 0.000 1.095 63 A CA -0.339 51.712 52.037 0.025 0.000 0.791 63 A CB 0.477 19.488 19.000 0.018 0.000 1.029 63 A HN 0.750 nan 8.150 nan 0.000 0.489 64 M N 0.764 120.380 119.600 0.026 0.000 2.495 64 M HA 0.218 4.698 4.480 -0.000 0.000 0.237 64 M C -0.129 176.183 176.300 0.020 0.000 1.131 64 M CA 0.474 55.789 55.300 0.026 0.000 1.032 64 M CB -1.045 31.572 32.600 0.029 0.000 1.513 64 M HN 0.761 nan 8.290 nan 0.000 0.488 65 D N -1.151 119.259 120.400 0.017 0.000 2.665 65 D HA 0.444 5.084 4.640 -0.000 0.000 0.287 65 D C -0.507 175.799 176.300 0.010 0.000 1.266 65 D CA -0.179 53.828 54.000 0.013 0.000 0.830 65 D CB 1.313 42.120 40.800 0.012 0.000 1.356 65 D HN 0.115 nan 8.370 nan 0.000 0.437 66 G N -0.648 108.157 108.800 0.007 0.000 2.368 66 G HA2 0.250 4.210 3.960 -0.000 0.000 0.233 66 G HA3 0.250 4.210 3.960 -0.000 0.000 0.233 66 G C 0.926 175.829 174.900 0.005 0.000 1.267 66 G CA 0.844 45.947 45.100 0.005 0.000 0.873 66 G HN 0.418 nan 8.290 nan 0.000 0.539 67 T N -1.231 113.326 114.554 0.004 0.000 3.069 67 T HA 0.136 4.486 4.350 -0.000 0.000 0.252 67 T C 0.799 175.500 174.700 0.001 0.000 1.053 67 T CA 0.177 62.279 62.100 0.003 0.000 0.964 67 T CB -0.024 68.847 68.868 0.004 0.000 1.005 67 T HN 0.675 nan 8.240 nan 0.000 0.532 68 E N 1.667 121.868 120.200 0.001 0.000 2.465 68 E HA 0.304 4.654 4.350 -0.000 0.000 0.260 68 E C 1.127 177.726 176.600 -0.001 0.000 0.980 68 E CA 0.728 57.128 56.400 -0.001 0.000 0.927 68 E CB 0.204 29.904 29.700 -0.001 0.000 0.934 68 E HN 0.482 nan 8.360 nan 0.000 0.459 69 G N 2.916 111.715 108.800 -0.003 0.000 2.232 69 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.226 69 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.226 69 G C 0.275 175.172 174.900 -0.005 0.000 0.996 69 G CA -0.004 45.094 45.100 -0.003 0.000 0.626 69 G HN 0.487 nan 8.290 nan 0.000 0.509 70 L N 1.566 122.786 121.223 -0.004 0.000 2.455 70 L HA 0.457 4.797 4.340 -0.000 0.000 0.272 70 L C 0.599 177.464 176.870 -0.009 0.000 1.174 70 L CA -0.205 54.631 54.840 -0.006 0.000 0.869 70 L CB 1.197 43.253 42.059 -0.005 0.000 1.130 70 L HN 0.023 nan 8.230 nan 0.000 0.474 71 V N 4.237 124.144 119.914 -0.012 0.000 2.667 71 V HA 0.377 4.496 4.120 -0.000 0.000 0.308 71 V C 0.211 176.293 176.094 -0.021 0.000 1.048 71 V CA -0.907 61.384 62.300 -0.015 0.000 0.928 71 V CB 1.938 33.752 31.823 -0.015 0.000 1.004 71 V HN 0.682 nan 8.190 nan 0.000 0.444 72 R N 2.243 122.729 120.500 -0.022 0.000 2.401 72 R HA 0.474 4.814 4.340 -0.000 0.000 0.299 72 R C 1.083 177.361 176.300 -0.036 0.000 1.064 72 R CA 0.826 56.909 56.100 -0.029 0.000 1.000 72 R CB 0.436 30.720 30.300 -0.027 0.000 0.973 72 R HN 1.185 nan 8.270 nan 0.000 0.438 73 G N 1.930 110.702 108.800 -0.046 0.000 2.134 73 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.209 73 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.209 73 G C -0.115 174.757 174.900 -0.047 0.000 0.993 73 G CA -0.150 44.919 45.100 -0.052 0.000 0.669 73 G HN 0.581 nan 8.290 nan 0.000 0.519 74 E N 0.515 120.688 120.200 -0.045 0.000 2.301 74 E HA 0.577 4.927 4.350 -0.000 0.000 0.275 74 E C 0.703 177.273 176.600 -0.049 0.000 1.030 74 E CA -0.731 55.646 56.400 -0.038 0.000 0.852 74 E CB 0.507 30.191 29.700 -0.028 0.000 1.060 74 E HN 0.262 nan 8.360 nan 0.000 0.401 75 K N 2.006 122.383 120.400 -0.039 0.000 2.485 75 K HA 0.148 4.468 4.320 -0.000 0.000 0.277 75 K C -1.330 175.247 176.600 -0.039 0.000 0.990 75 K CA -0.038 56.225 56.287 -0.041 0.000 0.994 75 K CB 0.522 33.010 32.500 -0.020 0.000 0.906 75 K HN 0.269 nan 8.250 nan 0.000 0.488 76 V N 5.727 125.610 119.914 -0.052 0.000 2.569 76 V HA 0.279 4.399 4.120 -0.000 0.000 0.301 76 V C -1.073 175.051 176.094 0.050 0.000 1.044 76 V CA -0.948 61.340 62.300 -0.020 0.000 0.874 76 V CB 1.514 33.292 31.823 -0.075 0.000 1.002 76 V HN 0.641 nan 8.190 nan 0.000 0.424 77 L N 4.026 125.295 121.223 0.078 0.000 2.272 77 L HA 0.619 4.959 4.340 -0.000 0.000 0.289 77 L C -0.083 176.866 176.870 0.132 0.000 1.032 77 L CA 0.094 54.994 54.840 0.101 0.000 0.810 77 L CB 1.352 43.447 42.059 0.060 0.000 1.205 77 L HN 0.728 nan 8.230 nan 0.000 0.422 78 D N 1.807 122.303 120.400 0.160 0.000 2.350 78 D HA 0.118 4.758 4.640 -0.000 0.000 0.249 78 D C 0.932 177.263 176.300 0.051 0.000 1.119 78 D CA 0.420 54.480 54.000 0.100 0.000 0.886 78 D CB 1.511 42.334 40.800 0.037 0.000 1.195 78 D HN 0.682 nan 8.370 nan 0.000 0.437 79 T N 0.334 114.908 114.554 0.034 0.000 3.040 79 T HA 0.344 4.694 4.350 -0.000 0.000 0.250 79 T C 1.437 176.142 174.700 0.008 0.000 1.058 79 T CA 0.532 62.645 62.100 0.022 0.000 0.988 79 T CB 0.115 68.997 68.868 0.024 0.000 0.993 79 T HN 0.661 nan 8.240 nan 0.000 0.519 80 G N 0.005 108.803 108.800 -0.003 0.000 2.258 80 G HA2 0.131 4.091 3.960 -0.000 0.000 0.233 80 G HA3 0.131 4.091 3.960 -0.000 0.000 0.233 80 G C 0.454 175.346 174.900 -0.013 0.000 1.006 80 G CA -0.345 44.747 45.100 -0.013 0.000 0.620 80 G HN 1.387 nan 8.290 nan 0.000 0.511 81 G N -0.761 108.037 108.800 -0.004 0.000 2.606 81 G HA2 0.763 4.723 3.960 -0.000 0.000 0.300 81 G HA3 0.763 4.723 3.960 -0.000 0.000 0.300 81 G C -3.254 171.653 174.900 0.013 0.000 1.360 81 G CA 0.073 45.172 45.100 -0.001 0.000 0.783 81 G HN 0.320 nan 8.290 nan 0.000 0.484 82 P HA 0.385 nan 4.420 nan 0.000 0.275 82 P C 0.156 177.496 177.300 0.066 0.000 1.266 82 P CA -0.549 62.589 63.100 0.064 0.000 0.793 82 P CB 0.651 32.424 31.700 0.122 0.000 1.074 83 I N 0.195 120.817 120.570 0.087 0.000 2.741 83 I HA -0.050 4.120 4.170 -0.000 0.000 0.288 83 I C 0.650 176.781 176.117 0.022 0.000 1.192 83 I CA 0.925 62.254 61.300 0.048 0.000 1.426 83 I CB -0.328 37.700 38.000 0.047 0.000 1.367 83 I HN 0.206 nan 8.210 nan 0.000 0.563 84 S N 5.868 121.570 115.700 0.004 0.000 2.578 84 S HA 0.638 5.108 4.470 -0.000 0.000 0.283 84 S C -0.253 174.327 174.600 -0.033 0.000 1.195 84 S CA -0.820 57.370 58.200 -0.017 0.000 1.050 84 S CB 1.944 65.132 63.200 -0.020 0.000 1.012 84 S HN 0.501 nan 8.310 nan 0.000 0.511 85 V N -0.256 119.626 119.914 -0.053 0.000 2.823 85 V HA 0.751 4.871 4.120 -0.000 0.000 0.312 85 V C -2.865 173.168 176.094 -0.101 0.000 1.072 85 V CA -2.968 59.292 62.300 -0.067 0.000 0.937 85 V CB 1.506 33.288 31.823 -0.067 0.000 1.013 85 V HN 0.625 nan 8.190 nan 0.000 0.430 86 P HA 0.385 nan 4.420 nan 0.000 0.272 86 P C -0.576 176.587 177.300 -0.229 0.000 1.223 86 P CA -0.007 63.002 63.100 -0.150 0.000 0.784 86 P CB 1.458 33.092 31.700 -0.111 0.000 0.923 87 V N -2.615 117.076 119.914 -0.371 0.000 3.040 87 V HA 0.948 5.068 4.120 -0.000 0.000 0.312 87 V C 0.186 175.845 176.094 -0.725 0.000 1.115 87 V CA -0.103 61.824 62.300 -0.623 0.000 0.998 87 V CB 0.989 32.244 31.823 -0.946 0.000 1.042 87 V HN 1.060 nan 8.190 nan 0.000 0.433 88 G N 2.606 110.931 108.800 -0.792 0.000 2.582 88 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.222 88 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.222 88 G C 0.262 175.089 174.900 -0.122 0.000 1.311 88 G CA 0.044 44.865 45.100 -0.465 0.000 0.915 88 G HN 0.924 nan 8.290 nan 0.000 0.528 89 R N 0.457 121.000 120.500 0.073 0.000 2.159 89 R HA -0.046 4.294 4.340 -0.000 0.000 0.237 89 R C 1.886 178.193 176.300 0.011 0.000 1.131 89 R CA 1.583 57.726 56.100 0.071 0.000 0.982 89 R CB -0.321 30.002 30.300 0.038 0.000 0.868 89 R HN 0.649 nan 8.270 nan 0.000 0.453 90 E N 0.400 120.593 120.200 -0.011 0.000 2.516 90 E HA -0.053 4.297 4.350 -0.000 0.000 0.199 90 E C 1.368 177.964 176.600 -0.008 0.000 1.069 90 E CA 1.052 57.441 56.400 -0.017 0.000 0.876 90 E CB 0.124 29.804 29.700 -0.033 0.000 0.843 90 E HN 0.470 nan 8.360 nan 0.000 0.530 91 T N -2.160 112.401 114.554 0.012 0.000 3.065 91 T HA 0.145 4.495 4.350 -0.000 0.000 0.252 91 T C 1.145 175.884 174.700 0.065 0.000 1.099 91 T CA -0.164 61.957 62.100 0.034 0.000 1.063 91 T CB 0.041 68.931 68.868 0.037 0.000 0.948 91 T HN -0.075 nan 8.240 nan 0.000 0.506 92 L N 1.728 122.980 121.223 0.050 0.000 2.416 92 L HA 0.516 4.856 4.340 -0.000 0.000 0.272 92 L C 1.639 178.528 176.870 0.032 0.000 1.161 92 L CA 0.587 55.435 54.840 0.014 0.000 0.845 92 L CB 0.234 42.230 42.059 -0.105 0.000 1.119 92 L HN 0.478 nan 8.230 nan 0.000 0.464 93 G N 1.439 110.275 108.800 0.061 0.000 2.162 93 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.260 93 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.260 93 G C 0.212 175.190 174.900 0.130 0.000 0.976 93 G CA -0.251 44.904 45.100 0.092 0.000 0.655 93 G HN 0.460 nan 8.290 nan 0.000 0.533 94 R N -0.488 120.075 120.500 0.105 0.000 2.778 94 R HA 0.742 5.082 4.340 -0.000 0.000 0.277 94 R C 0.087 176.431 176.300 0.072 0.000 0.977 94 R CA -1.039 55.108 56.100 0.079 0.000 0.950 94 R CB 1.170 31.497 30.300 0.045 0.000 1.165 94 R HN 0.267 nan 8.270 nan 0.000 0.474 95 I N 2.571 123.151 120.570 0.016 0.000 2.377 95 I HA 0.445 4.615 4.170 -0.000 0.000 0.293 95 I C -0.283 175.852 176.117 0.029 0.000 0.987 95 I CA -0.758 60.557 61.300 0.024 0.000 1.185 95 I CB 1.202 39.148 38.000 -0.091 0.000 1.341 95 I HN 0.301 nan 8.210 nan 0.000 0.455 96 I N 5.421 126.029 120.570 0.063 0.000 2.499 96 I HA 0.282 4.452 4.170 -0.000 0.000 0.288 96 I C -0.111 176.038 176.117 0.055 0.000 1.048 96 I CA -0.481 60.841 61.300 0.038 0.000 1.062 96 I CB 1.671 39.683 38.000 0.020 0.000 1.238 96 I HN 0.632 nan 8.210 nan 0.000 0.426 97 N N 5.007 123.731 118.700 0.040 0.000 2.364 97 N HA 0.127 4.867 4.740 -0.000 0.000 0.264 97 N C 0.944 176.470 175.510 0.027 0.000 1.263 97 N CA -0.578 52.500 53.050 0.047 0.000 0.959 97 N CB 0.348 38.856 38.487 0.035 0.000 1.204 97 N HN 0.361 nan 8.380 nan 0.000 0.550 98 V N -0.298 119.632 119.914 0.027 0.000 2.469 98 V HA -0.148 3.972 4.120 -0.000 0.000 0.251 98 V C 1.449 177.545 176.094 0.002 0.000 1.064 98 V CA 1.854 64.161 62.300 0.012 0.000 1.066 98 V CB -0.902 30.932 31.823 0.019 0.000 0.667 98 V HN 0.665 nan 8.190 nan 0.000 0.461 99 I N -1.623 118.952 120.570 0.007 0.000 3.826 99 I HA 0.538 4.708 4.170 -0.000 0.000 0.319 99 I C 1.198 177.312 176.117 -0.005 0.000 1.394 99 I CA 0.398 61.700 61.300 0.003 0.000 1.197 99 I CB -0.630 37.376 38.000 0.010 0.000 1.096 99 I HN 0.269 nan 8.210 nan 0.000 0.409 100 G N 1.086 109.879 108.800 -0.010 0.000 2.198 100 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.260 100 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.260 100 G C -0.197 174.693 174.900 -0.016 0.000 1.025 100 G CA 0.138 45.227 45.100 -0.020 0.000 0.769 100 G HN 0.687 nan 8.290 nan 0.000 0.507 101 E N 0.734 120.930 120.200 -0.006 0.000 2.199 101 E HA 0.412 4.762 4.350 -0.000 0.000 0.269 101 E C -2.382 174.216 176.600 -0.004 0.000 0.899 101 E CA -2.242 54.154 56.400 -0.006 0.000 0.772 101 E CB 2.345 32.042 29.700 -0.004 0.000 1.155 101 E HN 0.140 nan 8.360 nan 0.000 0.408 102 P HA 0.040 nan 4.420 nan 0.000 0.268 102 P C 0.070 177.360 177.300 -0.017 0.000 1.205 102 P CA 0.344 63.438 63.100 -0.010 0.000 0.771 102 P CB 0.391 32.085 31.700 -0.010 0.000 0.858 103 I N -0.785 119.767 120.570 -0.030 0.000 3.491 103 I HA 0.302 4.472 4.170 -0.000 0.000 0.332 103 I C -0.210 175.853 176.117 -0.090 0.000 1.565 103 I CA -0.377 60.894 61.300 -0.048 0.000 1.050 103 I CB 0.099 38.076 38.000 -0.038 0.000 1.348 103 I HN 0.023 nan 8.210 nan 0.000 0.506 104 D N -0.237 120.114 120.400 -0.082 0.000 2.503 104 D HA 0.068 4.708 4.640 -0.000 0.000 0.218 104 D C 0.386 176.664 176.300 -0.037 0.000 1.183 104 D CA -0.252 53.688 54.000 -0.101 0.000 0.827 104 D CB -0.021 40.706 40.800 -0.122 0.000 1.034 104 D HN 0.403 nan 8.370 nan 0.000 0.510 105 E N 0.124 120.308 120.200 -0.026 0.000 2.440 105 E HA -0.257 4.093 4.350 -0.000 0.000 0.246 105 E C 0.183 176.785 176.600 0.002 0.000 1.165 105 E CA 0.299 56.693 56.400 -0.010 0.000 0.726 105 E CB -1.021 28.674 29.700 -0.008 0.000 1.271 105 E HN 0.403 nan 8.360 nan 0.000 0.397 106 R N -0.049 120.453 120.500 0.004 0.000 2.507 106 R HA 0.258 4.598 4.340 -0.000 0.000 0.298 106 R C 0.992 177.296 176.300 0.007 0.000 0.999 106 R CA 0.268 56.376 56.100 0.013 0.000 1.082 106 R CB 0.909 31.225 30.300 0.027 0.000 1.246 106 R HN 0.319 nan 8.270 nan 0.000 0.553 107 G N 2.367 111.168 108.800 0.001 0.000 2.752 107 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.234 107 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.234 107 G C -2.364 172.534 174.900 -0.003 0.000 1.367 107 G CA -1.189 43.911 45.100 -0.001 0.000 0.879 107 G HN 0.081 nan 8.290 nan 0.000 0.563 108 P HA 0.226 nan 4.420 nan 0.000 0.263 108 P C 0.307 177.601 177.300 -0.010 0.000 1.175 108 P CA 0.170 63.265 63.100 -0.008 0.000 0.761 108 P CB 0.232 31.927 31.700 -0.009 0.000 0.794 109 I N 3.863 124.424 120.570 -0.015 0.000 2.278 109 I HA 0.040 4.210 4.170 -0.000 0.000 0.296 109 I C 1.018 177.118 176.117 -0.029 0.000 1.121 109 I CA 0.030 61.318 61.300 -0.021 0.000 1.267 109 I CB -0.126 37.859 38.000 -0.025 0.000 1.447 109 I HN 0.111 nan 8.210 nan 0.000 0.509 110 K N 5.198 125.584 120.400 -0.023 0.000 2.449 110 K HA 0.074 4.394 4.320 -0.000 0.000 0.237 110 K C 0.411 176.990 176.600 -0.036 0.000 1.265 110 K CA -0.169 56.103 56.287 -0.025 0.000 1.193 110 K CB -0.176 32.315 32.500 -0.015 0.000 1.515 110 K HN 0.613 nan 8.250 nan 0.000 0.259 111 S N 0.037 115.704 115.700 -0.055 0.000 2.585 111 S HA 0.209 4.679 4.470 -0.000 0.000 0.277 111 S C 0.928 175.483 174.600 -0.075 0.000 1.241 111 S CA -0.810 57.342 58.200 -0.081 0.000 1.041 111 S CB 1.719 64.842 63.200 -0.128 0.000 0.987 111 S HN 0.337 nan 8.310 nan 0.000 0.512 112 K N 1.208 121.563 120.400 -0.075 0.000 2.103 112 K HA 0.157 4.477 4.320 -0.000 0.000 0.204 112 K C 0.143 176.698 176.600 -0.074 0.000 1.052 112 K CA 0.817 57.071 56.287 -0.056 0.000 0.945 112 K CB -0.318 32.163 32.500 -0.032 0.000 0.722 112 K HN 0.504 nan 8.250 nan 0.000 0.443 113 L N 0.698 121.843 121.223 -0.131 0.000 2.333 113 L HA 0.356 4.696 4.340 -0.000 0.000 0.269 113 L C -0.506 176.260 176.870 -0.172 0.000 1.010 113 L CA -0.806 53.945 54.840 -0.149 0.000 0.818 113 L CB 1.970 43.907 42.059 -0.203 0.000 1.306 113 L HN -0.071 nan 8.230 nan 0.000 0.430 114 R N 2.485 122.911 120.500 -0.123 0.000 2.502 114 R HA 0.463 4.803 4.340 -0.000 0.000 0.300 114 R C -1.190 175.059 176.300 -0.086 0.000 0.984 114 R CA -0.868 55.166 56.100 -0.110 0.000 0.882 114 R CB 2.311 32.569 30.300 -0.071 0.000 1.180 114 R HN 0.438 nan 8.270 nan 0.000 0.444 115 K N 3.098 123.441 120.400 -0.095 0.000 2.156 115 K HA 0.433 4.753 4.320 -0.000 0.000 0.254 115 K C -2.491 174.088 176.600 -0.036 0.000 0.950 115 K CA -2.145 54.110 56.287 -0.053 0.000 0.849 115 K CB 1.967 34.438 32.500 -0.049 0.000 1.100 115 K HN 0.195 nan 8.250 nan 0.000 0.434 116 P HA 0.018 nan 4.420 nan 0.000 0.269 116 P C 0.599 177.891 177.300 -0.014 0.000 1.209 116 P CA -0.027 63.079 63.100 0.010 0.000 0.776 116 P CB 0.344 32.069 31.700 0.041 0.000 0.876 117 I N -1.032 119.513 120.570 -0.041 0.000 2.761 117 I HA -0.006 4.164 4.170 -0.000 0.000 0.261 117 I C 0.559 176.546 176.117 -0.216 0.000 1.198 117 I CA 0.970 62.184 61.300 -0.144 0.000 1.482 117 I CB -0.611 37.268 38.000 -0.202 0.000 1.100 117 I HN 0.252 nan 8.210 nan 0.000 0.445 118 H N 2.789 121.846 119.070 -0.022 0.000 2.668 118 H HA 0.734 5.290 4.556 -0.000 0.000 0.303 118 H C -0.446 174.871 175.328 -0.019 0.000 1.074 118 H CA -0.028 56.007 56.048 -0.020 0.000 1.406 118 H CB 1.334 31.089 29.762 -0.013 0.000 1.442 118 H HN 0.439 nan 8.280 nan 0.000 0.482 119 A N 3.662 126.525 122.820 0.072 0.000 2.547 119 A HA 0.255 4.575 4.320 -0.000 0.000 0.297 119 A C -0.898 176.704 177.584 0.030 0.000 1.056 119 A CA -0.969 51.091 52.037 0.038 0.000 0.688 119 A CB 1.419 20.424 19.000 0.009 0.000 1.282 119 A HN 0.521 nan 8.150 nan 0.000 0.400 120 D N 3.393 123.809 120.400 0.026 0.000 2.425 120 D HA 0.393 5.033 4.640 -0.000 0.000 0.247 120 D C -1.859 174.449 176.300 0.014 0.000 1.147 120 D CA -0.286 53.727 54.000 0.022 0.000 0.879 120 D CB 0.685 41.497 40.800 0.020 0.000 1.179 120 D HN 0.308 nan 8.370 nan 0.000 0.456 121 P HA 0.142 nan 4.420 nan 0.000 0.268 121 P C -2.495 174.816 177.300 0.017 0.000 1.208 121 P CA -1.010 62.097 63.100 0.011 0.000 0.777 121 P CB -0.440 31.272 31.700 0.020 0.000 0.875 122 P HA -0.006 nan 4.420 nan 0.000 0.265 122 P C 0.530 177.848 177.300 0.030 0.000 1.193 122 P CA 0.258 63.364 63.100 0.011 0.000 0.765 122 P CB 0.146 31.844 31.700 -0.002 0.000 0.823 123 S N 2.478 118.198 115.700 0.035 0.000 2.634 123 S HA 0.054 4.524 4.470 -0.000 0.000 0.254 123 S C 0.952 175.611 174.600 0.099 0.000 1.299 123 S CA -0.281 57.963 58.200 0.072 0.000 0.974 123 S CB -0.146 63.094 63.200 0.067 0.000 1.001 123 S HN 0.407 nan 8.310 nan 0.000 0.584 124 F N 1.141 121.092 119.950 0.001 0.000 2.206 124 F HA 0.145 4.672 4.527 -0.000 0.000 0.298 124 F C 2.404 178.203 175.800 -0.001 0.000 1.090 124 F CA 1.112 59.112 58.000 0.000 0.000 1.323 124 F CB -1.069 37.931 39.000 0.000 0.000 1.028 124 F HN 0.673 nan 8.300 nan 0.000 0.492 125 A N 0.024 122.799 122.820 -0.075 0.000 1.972 125 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 125 A C 2.024 179.500 177.584 -0.179 0.000 1.169 125 A CA 1.883 53.826 52.037 -0.156 0.000 0.635 125 A CB -0.792 18.197 19.000 -0.017 0.000 0.810 125 A HN 0.558 nan 8.150 nan 0.000 0.446 126 E N -0.186 119.944 120.200 -0.116 0.000 2.489 126 E HA 0.004 4.354 4.350 -0.000 0.000 0.193 126 E C 0.053 176.589 176.600 -0.106 0.000 1.057 126 E CA -0.280 56.066 56.400 -0.090 0.000 0.866 126 E CB 0.129 29.802 29.700 -0.045 0.000 0.916 126 E HN 0.506 nan 8.360 nan 0.000 0.500 127 Q N 0.370 120.073 119.800 -0.163 0.000 2.421 127 Q HA 0.146 4.486 4.340 -0.000 0.000 0.255 127 Q C -0.302 175.618 176.000 -0.134 0.000 1.013 127 Q CA 0.327 56.045 55.803 -0.142 0.000 0.895 127 Q CB 1.630 30.259 28.738 -0.182 0.000 1.271 127 Q HN -0.029 nan 8.270 nan 0.000 0.460 128 S N 0.818 116.465 115.700 -0.088 0.000 2.680 128 S HA 0.357 4.827 4.470 -0.000 0.000 0.262 128 S C -0.737 173.834 174.600 -0.049 0.000 1.138 128 S CA -0.565 57.593 58.200 -0.071 0.000 1.072 128 S CB 0.363 63.528 63.200 -0.058 0.000 1.097 128 S HN 0.579 nan 8.310 nan 0.000 0.468 129 T N 1.645 116.172 114.554 -0.045 0.000 2.902 129 T HA 0.864 5.214 4.350 -0.000 0.000 0.280 129 T C 0.108 174.796 174.700 -0.020 0.000 0.992 129 T CA -0.437 61.647 62.100 -0.027 0.000 1.015 129 T CB 1.393 70.249 68.868 -0.020 0.000 1.044 129 T HN 1.220 nan 8.240 nan 0.000 0.520 130 S N -0.826 114.868 115.700 -0.011 0.000 2.565 130 S HA 0.677 5.147 4.470 -0.000 0.000 0.269 130 S C -0.543 174.057 174.600 -0.000 0.000 1.153 130 S CA -0.685 57.511 58.200 -0.007 0.000 0.835 130 S CB 1.233 64.429 63.200 -0.008 0.000 1.122 130 S HN 1.471 nan 8.310 nan 0.000 0.462 131 A N 0.498 123.319 122.820 0.001 0.000 2.855 131 A HA 0.519 4.839 4.320 -0.000 0.000 0.301 131 A C 0.059 177.647 177.584 0.006 0.000 1.076 131 A CA -0.362 51.678 52.037 0.005 0.000 1.004 131 A CB -0.189 18.812 19.000 0.001 0.000 1.152 131 A HN 0.726 nan 8.150 nan 0.000 0.531 132 E N 0.495 120.701 120.200 0.010 0.000 2.266 132 E HA 0.423 4.773 4.350 -0.000 0.000 0.277 132 E C -1.081 175.534 176.600 0.025 0.000 1.018 132 E CA -0.404 56.004 56.400 0.014 0.000 0.840 132 E CB 1.240 30.947 29.700 0.013 0.000 1.082 132 E HN 0.590 nan 8.360 nan 0.000 0.395 133 I N 4.936 125.521 120.570 0.026 0.000 2.336 133 I HA 0.191 4.361 4.170 -0.000 0.000 0.292 133 I C -1.178 174.970 176.117 0.052 0.000 0.991 133 I CA -0.856 60.466 61.300 0.036 0.000 1.227 133 I CB 0.771 38.779 38.000 0.013 0.000 1.366 133 I HN 0.392 nan 8.210 nan 0.000 0.466 134 L N 8.076 129.347 121.223 0.081 0.000 2.268 134 L HA 0.360 4.700 4.340 -0.000 0.000 0.289 134 L C 0.129 177.049 176.870 0.084 0.000 1.064 134 L CA 0.168 55.066 54.840 0.096 0.000 0.824 134 L CB 0.705 42.845 42.059 0.135 0.000 1.202 134 L HN 0.669 nan 8.230 nan 0.000 0.433 135 E N 2.152 122.388 120.200 0.060 0.000 2.376 135 E HA 0.042 4.392 4.350 -0.000 0.000 0.266 135 E C 0.378 177.000 176.600 0.037 0.000 1.009 135 E CA 0.616 57.039 56.400 0.039 0.000 0.902 135 E CB 0.829 30.552 29.700 0.037 0.000 0.972 135 E HN 0.805 nan 8.360 nan 0.000 0.439 136 T N 0.630 115.185 114.554 0.002 0.000 2.969 136 T HA 0.260 4.610 4.350 -0.000 0.000 0.250 136 T C 1.348 176.029 174.700 -0.031 0.000 1.021 136 T CA 0.436 62.533 62.100 -0.005 0.000 1.003 136 T CB 0.371 69.214 68.868 -0.041 0.000 1.040 136 T HN 0.715 nan 8.240 nan 0.000 0.492 137 G N 1.814 110.601 108.800 -0.020 0.000 2.148 137 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.254 137 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.254 137 G C -0.004 174.892 174.900 -0.008 0.000 0.981 137 G CA 0.262 45.354 45.100 -0.014 0.000 0.670 137 G HN 0.683 nan 8.290 nan 0.000 0.528 138 I N 0.650 121.211 120.570 -0.015 0.000 2.330 138 I HA 0.244 4.414 4.170 -0.000 0.000 0.286 138 I C 1.594 177.732 176.117 0.035 0.000 1.025 138 I CA -0.825 60.504 61.300 0.049 0.000 1.197 138 I CB 1.246 39.269 38.000 0.038 0.000 1.358 138 I HN -0.024 nan 8.210 nan 0.000 0.467 139 K N 3.231 123.650 120.400 0.032 0.000 2.052 139 K HA -0.223 4.097 4.320 -0.000 0.000 0.215 139 K C 1.815 178.369 176.600 -0.076 0.000 1.053 139 K CA 1.638 57.910 56.287 -0.024 0.000 0.934 139 K CB -0.107 32.376 32.500 -0.028 0.000 0.717 139 K HN 0.543 nan 8.250 nan 0.000 0.450 140 V N 0.754 120.653 119.914 -0.026 0.000 2.759 140 V HA -0.151 3.968 4.120 -0.000 0.000 0.256 140 V C 1.849 177.922 176.094 -0.035 0.000 1.080 140 V CA 1.313 63.582 62.300 -0.052 0.000 1.101 140 V CB 0.159 32.001 31.823 0.032 0.000 0.698 140 V HN 0.137 nan 8.190 nan 0.000 0.477 141 V N -0.210 119.699 119.914 -0.009 0.000 2.374 141 V HA -0.066 4.054 4.120 -0.000 0.000 0.241 141 V C 2.261 178.269 176.094 -0.143 0.000 1.034 141 V CA 1.924 64.158 62.300 -0.109 0.000 1.037 141 V CB -0.507 31.171 31.823 -0.242 0.000 0.682 141 V HN 0.502 nan 8.190 nan 0.000 0.463 142 D N 0.096 120.433 120.400 -0.105 0.000 2.182 142 D HA -0.147 4.493 4.640 -0.000 0.000 0.201 142 D C 1.831 178.164 176.300 0.056 0.000 0.986 142 D CA 1.158 55.137 54.000 -0.035 0.000 0.847 142 D CB -0.032 40.759 40.800 -0.014 0.000 0.942 142 D HN 0.338 nan 8.370 nan 0.000 0.467 143 L N -0.408 120.786 121.223 -0.048 0.000 2.102 143 L HA 0.076 4.416 4.340 -0.000 0.000 0.202 143 L C 1.857 178.731 176.870 0.007 0.000 1.076 143 L CA 1.270 56.042 54.840 -0.114 0.000 0.761 143 L CB -0.077 41.766 42.059 -0.359 0.000 0.921 143 L HN -0.036 nan 8.230 nan 0.000 0.444 144 L N -1.068 120.120 121.223 -0.058 0.000 2.388 144 L HA 0.346 4.686 4.340 -0.000 0.000 0.209 144 L C 0.831 177.692 176.870 -0.015 0.000 1.061 144 L CA 0.606 55.413 54.840 -0.055 0.000 0.834 144 L CB -0.051 41.949 42.059 -0.098 0.000 1.029 144 L HN 0.245 nan 8.230 nan 0.000 0.473 145 A N 0.280 123.099 122.820 -0.002 0.000 3.410 145 A HA 0.474 4.794 4.320 -0.000 0.000 0.276 145 A C -2.579 175.035 177.584 0.050 0.000 0.995 145 A CA -0.910 51.150 52.037 0.038 0.000 0.934 145 A CB -0.235 18.811 19.000 0.076 0.000 1.191 145 A HN -0.104 nan 8.150 nan 0.000 0.511 146 P HA 0.138 nan 4.420 nan 0.000 0.263 146 P C -0.554 176.824 177.300 0.130 0.000 1.195 146 P CA 0.481 63.579 63.100 -0.003 0.000 0.762 146 P CB 0.086 31.781 31.700 -0.009 0.000 0.799 147 Y N 1.692 122.025 120.300 0.054 0.000 2.397 147 Y HA 0.381 4.931 4.550 -0.000 0.000 0.335 147 Y C 1.135 177.052 175.900 0.029 0.000 1.213 147 Y CA -1.328 56.799 58.100 0.046 0.000 1.391 147 Y CB -0.193 38.303 38.460 0.061 0.000 1.293 147 Y HN 0.331 nan 8.280 nan 0.000 0.557 148 A N 4.267 127.195 122.820 0.180 0.000 2.304 148 A HA 0.583 4.903 4.320 -0.000 0.000 0.323 148 A C -0.067 177.551 177.584 0.058 0.000 1.195 148 A CA -1.065 51.026 52.037 0.090 0.000 0.826 148 A CB 0.476 19.511 19.000 0.057 0.000 1.184 148 A HN 0.809 nan 8.150 nan 0.000 0.496 149 R N 1.193 121.723 120.500 0.050 0.000 2.522 149 R HA 0.358 4.698 4.340 -0.000 0.000 0.284 149 R C 1.153 177.458 176.300 0.009 0.000 1.032 149 R CA 1.114 57.233 56.100 0.032 0.000 1.049 149 R CB 0.271 30.595 30.300 0.040 0.000 0.956 149 R HN 1.585 nan 8.270 nan 0.000 0.422 150 G N 1.594 110.387 108.800 -0.012 0.000 2.148 150 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.254 150 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.254 150 G C 0.324 175.204 174.900 -0.033 0.000 0.981 150 G CA -0.012 45.073 45.100 -0.025 0.000 0.670 150 G HN 0.900 nan 8.290 nan 0.000 0.528 151 G N -0.918 107.860 108.800 -0.037 0.000 2.597 151 G HA2 0.659 4.619 3.960 -0.000 0.000 0.317 151 G HA3 0.659 4.619 3.960 -0.000 0.000 0.317 151 G C -0.446 174.410 174.900 -0.073 0.000 1.230 151 G CA -0.878 44.200 45.100 -0.037 0.000 0.996 151 G HN 0.320 nan 8.290 nan 0.000 0.490 152 K N -0.064 120.300 120.400 -0.060 0.000 2.213 152 K HA 0.508 4.828 4.320 -0.000 0.000 0.270 152 K C -0.965 175.571 176.600 -0.106 0.000 1.002 152 K CA -0.212 56.024 56.287 -0.084 0.000 0.868 152 K CB 1.953 34.429 32.500 -0.039 0.000 1.093 152 K HN 0.244 nan 8.250 nan 0.000 0.454 153 I N 1.735 122.194 120.570 -0.185 0.000 2.447 153 I HA 0.278 4.448 4.170 -0.000 0.000 0.287 153 I C 0.175 176.168 176.117 -0.206 0.000 1.023 153 I CA -0.610 60.518 61.300 -0.286 0.000 1.083 153 I CB 2.135 39.779 38.000 -0.594 0.000 1.245 153 I HN 0.623 nan 8.210 nan 0.000 0.434 154 G N 7.017 115.769 108.800 -0.079 0.000 2.343 154 G HA2 0.660 4.620 3.960 -0.000 0.000 0.319 154 G HA3 0.660 4.620 3.960 -0.000 0.000 0.319 154 G C -0.646 174.270 174.900 0.028 0.000 1.126 154 G CA -0.510 44.578 45.100 -0.021 0.000 0.889 154 G HN 0.464 nan 8.290 nan 0.000 0.457 155 L N 2.729 123.881 121.223 -0.119 0.000 2.272 155 L HA 0.377 4.717 4.340 -0.000 0.000 0.284 155 L C -0.775 176.017 176.870 -0.130 0.000 1.045 155 L CA -0.569 54.219 54.840 -0.088 0.000 0.842 155 L CB 0.560 42.553 42.059 -0.110 0.000 1.224 155 L HN 0.323 nan 8.230 nan 0.000 0.430 156 F N 1.486 121.360 119.950 -0.126 0.000 2.394 156 F HA 0.741 5.268 4.527 -0.000 0.000 0.340 156 F C 0.934 176.685 175.800 -0.082 0.000 1.105 156 F CA -0.460 57.469 58.000 -0.118 0.000 1.124 156 F CB 1.956 40.882 39.000 -0.123 0.000 1.145 156 F HN 0.401 nan 8.300 nan 0.000 0.505 157 G N 0.938 109.756 108.800 0.030 0.000 2.655 157 G HA2 0.481 4.441 3.960 -0.000 0.000 0.296 157 G HA3 0.481 4.441 3.960 -0.000 0.000 0.296 157 G C -0.643 174.173 174.900 -0.141 0.000 1.485 157 G CA -0.402 44.692 45.100 -0.010 0.000 0.869 157 G HN 0.909 nan 8.290 nan 0.000 0.540 158 G N -0.408 108.303 108.800 -0.149 0.000 2.683 158 G HA2 0.634 4.594 3.960 -0.000 0.000 0.260 158 G HA3 0.634 4.594 3.960 -0.000 0.000 0.260 158 G C 0.791 175.608 174.900 -0.139 0.000 1.238 158 G CA 0.462 45.403 45.100 -0.264 0.000 0.934 158 G HN 1.691 nan 8.290 nan 0.000 0.534 159 A N -1.312 121.467 122.820 -0.069 0.000 2.488 159 A HA 0.532 4.852 4.320 -0.000 0.000 0.249 159 A C 1.516 179.152 177.584 0.086 0.000 1.083 159 A CA 1.023 53.147 52.037 0.144 0.000 0.768 159 A CB -0.380 18.766 19.000 0.244 0.000 1.017 159 A HN 2.575 nan 8.150 nan 0.000 0.496 160 G N 0.623 109.481 108.800 0.097 0.000 2.160 160 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.251 160 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.251 160 G C 0.702 175.653 174.900 0.084 0.000 1.008 160 G CA 0.929 46.073 45.100 0.072 0.000 0.724 160 G HN 2.198 nan 8.290 nan 0.000 0.514 161 V N -3.870 116.101 119.914 0.095 0.000 3.565 161 V HA 0.690 4.810 4.120 -0.000 0.000 0.260 161 V C 1.556 177.766 176.094 0.194 0.000 1.231 161 V CA 1.309 63.688 62.300 0.133 0.000 1.100 161 V CB 0.561 32.432 31.823 0.080 0.000 0.807 161 V HN 2.128 nan 8.190 nan 0.000 0.454 162 G N 0.574 109.468 108.800 0.156 0.000 2.192 162 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.152 162 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.152 162 G C 0.385 175.432 174.900 0.245 0.000 1.057 162 G CA 0.148 45.363 45.100 0.192 0.000 0.748 162 G HN 0.406 nan 8.290 nan 0.000 0.488 163 K N -0.169 120.336 120.400 0.176 0.000 2.025 163 K HA -0.043 4.277 4.320 -0.000 0.000 0.207 163 K C 2.566 179.303 176.600 0.228 0.000 1.049 163 K CA 1.935 58.322 56.287 0.167 0.000 0.933 163 K CB -0.216 32.344 32.500 0.101 0.000 0.714 163 K HN 0.297 nan 8.250 nan 0.000 0.438 164 T N 1.192 115.861 114.554 0.192 0.000 2.737 164 T HA -0.104 4.246 4.350 -0.000 0.000 0.265 164 T C 2.093 176.920 174.700 0.213 0.000 1.038 164 T CA 1.201 63.420 62.100 0.199 0.000 1.144 164 T CB -0.300 68.669 68.868 0.169 0.000 0.866 164 T HN -0.071 nan 8.240 nan 0.000 0.434 165 V N 0.885 120.920 119.914 0.201 0.000 2.392 165 V HA -0.157 3.963 4.120 -0.000 0.000 0.249 165 V C 2.015 178.265 176.094 0.261 0.000 1.059 165 V CA 1.566 63.995 62.300 0.214 0.000 1.051 165 V CB -0.768 31.154 31.823 0.165 0.000 0.658 165 V HN 0.345 nan 8.190 nan 0.000 0.455 166 F N 0.015 120.089 119.950 0.207 0.000 2.051 166 F HA -0.168 4.359 4.527 -0.000 0.000 0.296 166 F C 2.186 178.040 175.800 0.090 0.000 1.122 166 F CA 1.845 59.962 58.000 0.196 0.000 1.201 166 F CB -0.304 38.845 39.000 0.248 0.000 0.978 166 F HN -0.014 nan 8.300 nan 0.000 0.472 167 I N 0.014 120.825 120.570 0.401 0.000 2.236 167 I HA -0.414 3.756 4.170 -0.000 0.000 0.249 167 I C 2.378 178.558 176.117 0.104 0.000 1.102 167 I CA 1.600 63.065 61.300 0.274 0.000 1.365 167 I CB -0.367 37.790 38.000 0.262 0.000 1.051 167 I HN 0.332 nan 8.210 nan 0.000 0.420 168 Q N -0.324 119.528 119.800 0.086 0.000 2.084 168 Q HA -0.290 4.050 4.340 -0.000 0.000 0.202 168 Q C 2.106 178.052 176.000 -0.090 0.000 0.978 168 Q CA 1.825 57.627 55.803 -0.002 0.000 0.844 168 Q CB -0.116 28.650 28.738 0.046 0.000 0.898 168 Q HN 0.393 nan 8.270 nan 0.000 0.426 169 E N 0.886 120.982 120.200 -0.172 0.000 2.077 169 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 169 E C 1.803 178.238 176.600 -0.275 0.000 0.989 169 E CA 0.953 57.131 56.400 -0.369 0.000 0.800 169 E CB -0.182 28.937 29.700 -0.969 0.000 0.746 169 E HN 0.278 nan 8.360 nan 0.000 0.452 170 L N 0.052 121.180 121.223 -0.158 0.000 2.046 170 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 170 L C 2.474 179.367 176.870 0.039 0.000 1.077 170 L CA 1.120 55.975 54.840 0.024 0.000 0.747 170 L CB -0.452 41.764 42.059 0.263 0.000 0.896 170 L HN 0.233 nan 8.230 nan 0.000 0.432 171 I N -0.046 120.459 120.570 -0.108 0.000 2.286 171 I HA -0.298 3.872 4.170 -0.000 0.000 0.248 171 I C 2.249 178.310 176.117 -0.093 0.000 1.115 171 I CA 1.393 62.561 61.300 -0.220 0.000 1.392 171 I CB -0.415 37.328 38.000 -0.429 0.000 1.065 171 I HN 0.321 nan 8.210 nan 0.000 0.418 172 N N 1.006 119.646 118.700 -0.099 0.000 2.166 172 N HA -0.180 4.560 4.740 -0.000 0.000 0.186 172 N C 1.549 177.030 175.510 -0.048 0.000 1.019 172 N CA 1.552 54.556 53.050 -0.077 0.000 0.856 172 N CB 0.029 38.459 38.487 -0.096 0.000 0.993 172 N HN 0.254 nan 8.380 nan 0.000 0.426 173 N N -0.456 118.216 118.700 -0.047 0.000 2.278 173 N HA 0.051 4.791 4.740 -0.000 0.000 0.181 173 N C 1.224 176.756 175.510 0.037 0.000 1.023 173 N CA 0.632 53.671 53.050 -0.018 0.000 0.862 173 N CB -0.029 38.430 38.487 -0.047 0.000 1.003 173 N HN 0.210 nan 8.380 nan 0.000 0.431 174 I N 1.113 121.732 120.570 0.081 0.000 2.429 174 I HA 0.117 4.287 4.170 -0.000 0.000 0.247 174 I C 2.256 178.470 176.117 0.162 0.000 1.099 174 I CA 0.398 61.780 61.300 0.136 0.000 1.422 174 I CB -1.616 36.497 38.000 0.188 0.000 1.112 174 I HN -0.043 nan 8.210 nan 0.000 0.430 175 A N 1.733 124.652 122.820 0.165 0.000 1.892 175 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 175 A C 2.326 179.997 177.584 0.145 0.000 1.188 175 A CA 1.995 54.136 52.037 0.173 0.000 0.631 175 A CB -0.598 18.477 19.000 0.126 0.000 0.822 175 A HN 0.434 nan 8.150 nan 0.000 0.447 176 K N -0.275 120.179 120.400 0.090 0.000 2.002 176 K HA -0.003 4.317 4.320 -0.000 0.000 0.209 176 K C 2.082 178.726 176.600 0.073 0.000 1.048 176 K CA 1.234 57.561 56.287 0.066 0.000 0.930 176 K CB -0.381 32.139 32.500 0.033 0.000 0.714 176 K HN 0.386 nan 8.250 nan 0.000 0.438 177 A N 1.671 124.537 122.820 0.076 0.000 2.239 177 A HA -0.094 4.226 4.320 -0.000 0.000 0.209 177 A C 0.611 178.243 177.584 0.080 0.000 1.171 177 A CA 0.401 52.475 52.037 0.061 0.000 0.768 177 A CB -0.652 18.380 19.000 0.053 0.000 0.790 177 A HN 0.307 nan 8.150 nan 0.000 0.478 178 H N -1.134 117.949 119.070 0.021 0.000 2.481 178 H HA 0.378 4.934 4.556 -0.000 0.000 0.339 178 H C 1.265 176.580 175.328 -0.021 0.000 1.131 178 H CA 0.475 56.526 56.048 0.005 0.000 1.301 178 H CB 1.566 31.343 29.762 0.025 0.000 1.476 178 H HN 0.087 nan 8.280 nan 0.000 0.529 179 G N 2.762 111.193 108.800 -0.616 0.000 2.441 179 G HA2 -0.000 3.960 3.960 -0.000 0.000 0.212 179 G HA3 -0.000 3.960 3.960 -0.000 0.000 0.212 179 G C 0.927 175.634 174.900 -0.322 0.000 1.164 179 G CA 0.483 45.359 45.100 -0.373 0.000 0.811 179 G HN 0.699 nan 8.290 nan 0.000 0.535 180 G N -0.205 108.351 108.800 -0.406 0.000 2.580 180 G HA2 0.418 4.378 3.960 -0.000 0.000 0.225 180 G HA3 0.418 4.378 3.960 -0.000 0.000 0.225 180 G C -0.606 174.124 174.900 -0.283 0.000 1.521 180 G CA -0.590 44.275 45.100 -0.392 0.000 1.068 180 G HN 0.048 nan 8.290 nan 0.000 0.564 181 F N -0.688 119.236 119.950 -0.044 0.000 2.470 181 F HA 0.639 5.166 4.527 -0.000 0.000 0.329 181 F C 0.632 176.348 175.800 -0.141 0.000 1.072 181 F CA -0.997 56.888 58.000 -0.193 0.000 0.989 181 F CB 1.899 40.526 39.000 -0.621 0.000 1.193 181 F HN 0.122 nan 8.300 nan 0.000 0.481 182 S N 0.627 116.406 115.700 0.130 0.000 2.578 182 S HA 0.822 5.292 4.470 -0.000 0.000 0.301 182 S C -0.913 173.769 174.600 0.137 0.000 1.091 182 S CA -0.729 57.545 58.200 0.124 0.000 1.032 182 S CB 2.143 65.481 63.200 0.232 0.000 1.064 182 S HN 0.316 nan 8.310 nan 0.000 0.508 183 V N 2.589 122.604 119.914 0.168 0.000 2.735 183 V HA 0.585 4.705 4.120 -0.000 0.000 0.310 183 V C -1.384 174.861 176.094 0.252 0.000 1.061 183 V CA -0.707 61.702 62.300 0.181 0.000 0.913 183 V CB 1.665 33.575 31.823 0.145 0.000 1.005 183 V HN 0.826 nan 8.190 nan 0.000 0.428 184 F N 2.654 122.638 119.950 0.056 0.000 2.507 184 F HA 0.677 5.204 4.527 -0.000 0.000 0.328 184 F C 0.040 175.732 175.800 -0.180 0.000 1.136 184 F CA -0.152 57.855 58.000 0.012 0.000 0.930 184 F CB 1.935 40.920 39.000 -0.026 0.000 1.166 184 F HN 0.469 nan 8.300 nan 0.000 0.436 185 T N 4.787 119.143 114.554 -0.330 0.000 2.772 185 T HA 0.499 4.849 4.350 -0.000 0.000 0.288 185 T C 0.181 174.682 174.700 -0.332 0.000 0.994 185 T CA -0.632 61.298 62.100 -0.283 0.000 0.951 185 T CB 1.131 69.876 68.868 -0.207 0.000 0.933 185 T HN 0.865 nan 8.240 nan 0.000 0.447 186 G N 2.155 110.799 108.800 -0.259 0.000 2.356 186 G HA2 0.500 4.460 3.960 -0.000 0.000 0.300 186 G HA3 0.500 4.460 3.960 -0.000 0.000 0.300 186 G C -0.455 174.492 174.900 0.080 0.000 1.107 186 G CA -0.361 44.776 45.100 0.060 0.000 0.960 186 G HN 0.655 nan 8.290 nan 0.000 0.418 187 V N 2.778 122.727 119.914 0.058 0.000 2.334 187 V HA 0.587 4.707 4.120 -0.000 0.000 0.281 187 V C 1.165 177.308 176.094 0.081 0.000 1.016 187 V CA 0.310 62.643 62.300 0.055 0.000 0.832 187 V CB 0.857 32.688 31.823 0.013 0.000 0.999 187 V HN 1.333 nan 8.190 nan 0.000 0.439 188 G N 3.366 112.218 108.800 0.087 0.000 2.258 188 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.274 188 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.274 188 G C 0.243 175.185 174.900 0.071 0.000 1.021 188 G CA 0.583 45.721 45.100 0.064 0.000 0.798 188 G HN 0.599 nan 8.290 nan 0.000 0.507 189 E N -0.714 119.555 120.200 0.115 0.000 2.819 189 E HA 0.465 4.815 4.350 -0.000 0.000 0.241 189 E C 0.872 177.537 176.600 0.109 0.000 0.987 189 E CA -0.864 55.606 56.400 0.117 0.000 1.024 189 E CB 0.570 30.369 29.700 0.166 0.000 1.448 189 E HN 0.371 nan 8.360 nan 0.000 0.484 190 R N 0.162 120.725 120.500 0.104 0.000 2.308 190 R HA 0.230 4.570 4.340 -0.000 0.000 0.305 190 R C 1.195 177.516 176.300 0.035 0.000 1.053 190 R CA -0.034 56.104 56.100 0.063 0.000 0.957 190 R CB 0.618 30.953 30.300 0.057 0.000 1.022 190 R HN 0.408 nan 8.270 nan 0.000 0.461 191 T N 2.153 116.702 114.554 -0.008 0.000 2.684 191 T HA -0.206 4.144 4.350 -0.000 0.000 0.267 191 T C 1.786 176.413 174.700 -0.123 0.000 1.036 191 T CA 1.361 63.409 62.100 -0.087 0.000 1.148 191 T CB -0.141 68.680 68.868 -0.078 0.000 0.863 191 T HN 0.555 nan 8.240 nan 0.000 0.436 192 R N 1.097 121.561 120.500 -0.059 0.000 2.119 192 R HA -0.195 4.145 4.340 -0.000 0.000 0.246 192 R C 2.166 178.442 176.300 -0.039 0.000 1.146 192 R CA 1.982 58.056 56.100 -0.044 0.000 0.962 192 R CB -0.220 30.075 30.300 -0.007 0.000 0.863 192 R HN 0.519 nan 8.270 nan 0.000 0.442 193 E N -1.070 119.126 120.200 -0.007 0.000 2.110 193 E HA -0.128 4.222 4.350 -0.000 0.000 0.193 193 E C 1.876 178.462 176.600 -0.023 0.000 0.988 193 E CA 1.060 57.477 56.400 0.028 0.000 0.804 193 E CB -0.192 29.567 29.700 0.098 0.000 0.745 193 E HN 0.620 nan 8.360 nan 0.000 0.458 194 G N 1.329 110.041 108.800 -0.147 0.000 2.453 194 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.215 194 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.215 194 G C 1.390 176.072 174.900 -0.363 0.000 1.201 194 G CA 1.089 45.880 45.100 -0.516 0.000 0.784 194 G HN 0.241 nan 8.290 nan 0.000 0.545 195 N N 0.914 119.448 118.700 -0.277 0.000 2.094 195 N HA -0.142 4.598 4.740 -0.000 0.000 0.191 195 N C 1.687 177.183 175.510 -0.022 0.000 1.023 195 N CA 2.018 54.998 53.050 -0.116 0.000 0.857 195 N CB -0.273 38.160 38.487 -0.090 0.000 1.013 195 N HN 0.216 nan 8.380 nan 0.000 0.426 196 D N -0.383 119.992 120.400 -0.041 0.000 2.097 196 D HA -0.115 4.525 4.640 -0.000 0.000 0.195 196 D C 1.886 178.168 176.300 -0.029 0.000 0.989 196 D CA 0.593 54.579 54.000 -0.023 0.000 0.827 196 D CB -0.444 40.350 40.800 -0.009 0.000 0.966 196 D HN 0.253 nan 8.370 nan 0.000 0.456 197 L N -0.201 120.997 121.223 -0.042 0.000 1.989 197 L HA -0.207 4.133 4.340 -0.000 0.000 0.211 197 L C 2.205 179.064 176.870 -0.018 0.000 1.071 197 L CA 1.546 56.341 54.840 -0.076 0.000 0.749 197 L CB -0.767 41.191 42.059 -0.169 0.000 0.890 197 L HN 0.071 nan 8.230 nan 0.000 0.431 198 Y N 0.417 120.658 120.300 -0.099 0.000 2.114 198 Y HA -0.334 4.216 4.550 -0.000 0.000 0.282 198 Y C 2.894 178.759 175.900 -0.059 0.000 1.165 198 Y CA 2.382 60.444 58.100 -0.063 0.000 1.148 198 Y CB -0.365 38.054 38.460 -0.069 0.000 0.972 198 Y HN 0.201 nan 8.280 nan 0.000 0.504 199 R N -0.098 120.336 120.500 -0.110 0.000 2.092 199 R HA -0.184 4.156 4.340 -0.000 0.000 0.231 199 R C 2.231 178.435 176.300 -0.160 0.000 1.119 199 R CA 1.611 57.600 56.100 -0.185 0.000 0.970 199 R CB -0.267 29.984 30.300 -0.082 0.000 0.864 199 R HN 0.368 nan 8.270 nan 0.000 0.440 200 E N 0.330 120.464 120.200 -0.110 0.000 2.077 200 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 200 E C 1.870 178.404 176.600 -0.110 0.000 0.989 200 E CA 1.579 57.921 56.400 -0.097 0.000 0.800 200 E CB -0.028 29.625 29.700 -0.079 0.000 0.746 200 E HN 0.176 nan 8.360 nan 0.000 0.452 201 M N 0.494 120.020 119.600 -0.123 0.000 2.073 201 M HA -0.182 4.298 4.480 -0.000 0.000 0.258 201 M C 2.104 178.328 176.300 -0.126 0.000 1.070 201 M CA 1.847 57.081 55.300 -0.109 0.000 1.103 201 M CB -1.011 31.537 32.600 -0.086 0.000 1.321 201 M HN 0.070 nan 8.290 nan 0.000 0.405 202 K N -0.053 120.224 120.400 -0.204 0.000 2.097 202 K HA -0.135 4.185 4.320 -0.000 0.000 0.206 202 K C 1.863 178.386 176.600 -0.128 0.000 1.049 202 K CA 1.138 57.308 56.287 -0.195 0.000 0.933 202 K CB -0.147 32.169 32.500 -0.307 0.000 0.717 202 K HN 0.474 nan 8.250 nan 0.000 0.442 203 E N -0.144 119.985 120.200 -0.119 0.000 2.358 203 E HA -0.062 4.287 4.350 -0.000 0.000 0.195 203 E C 1.278 177.839 176.600 -0.064 0.000 1.010 203 E CA 1.046 57.395 56.400 -0.085 0.000 0.856 203 E CB 0.227 29.878 29.700 -0.081 0.000 0.795 203 E HN 0.318 nan 8.360 nan 0.000 0.504 204 T N -1.375 113.141 114.554 -0.063 0.000 3.051 204 T HA 0.142 4.492 4.350 -0.000 0.000 0.255 204 T C 1.451 176.130 174.700 -0.035 0.000 1.085 204 T CA 0.605 62.678 62.100 -0.045 0.000 1.109 204 T CB 0.642 69.483 68.868 -0.044 0.000 0.921 204 T HN 0.344 nan 8.240 nan 0.000 0.488 205 G N 0.797 109.572 108.800 -0.041 0.000 2.163 205 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.213 205 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.213 205 G C 0.943 175.835 174.900 -0.012 0.000 0.991 205 G CA 0.146 45.230 45.100 -0.027 0.000 0.653 205 G HN 0.423 nan 8.290 nan 0.000 0.518 206 V N 0.361 120.266 119.914 -0.014 0.000 2.379 206 V HA 0.220 4.340 4.120 -0.000 0.000 0.245 206 V C 1.750 177.851 176.094 0.011 0.000 1.044 206 V CA 1.547 63.853 62.300 0.009 0.000 1.036 206 V CB -0.224 31.605 31.823 0.009 0.000 0.664 206 V HN 0.474 nan 8.190 nan 0.000 0.453 207 I N 1.491 122.052 120.570 -0.016 0.000 2.428 207 I HA 0.354 4.524 4.170 -0.000 0.000 0.296 207 I C -0.145 175.950 176.117 -0.036 0.000 0.985 207 I CA -0.107 61.184 61.300 -0.015 0.000 1.260 207 I CB 1.319 39.299 38.000 -0.034 0.000 1.389 207 I HN 0.193 nan 8.210 nan 0.000 0.484 208 N N 6.554 125.245 118.700 -0.014 0.000 2.664 208 N HA 0.220 4.960 4.740 -0.000 0.000 0.268 208 N C 0.093 175.601 175.510 -0.002 0.000 1.222 208 N CA -0.388 52.652 53.050 -0.017 0.000 0.805 208 N CB 0.950 39.433 38.487 -0.006 0.000 1.399 208 N HN 0.557 nan 8.380 nan 0.000 0.547 209 L N 0.849 122.068 121.223 -0.006 0.000 2.447 209 L HA -0.023 4.317 4.340 -0.000 0.000 0.225 209 L C 0.050 176.928 176.870 0.013 0.000 1.148 209 L CA 1.109 55.958 54.840 0.015 0.000 0.808 209 L CB 0.014 42.085 42.059 0.020 0.000 0.928 209 L HN 0.486 nan 8.230 nan 0.000 0.448 210 E N -0.545 119.659 120.200 0.005 0.000 4.052 210 E HA 0.417 4.767 4.350 -0.000 0.000 0.219 210 E C 0.271 176.876 176.600 0.007 0.000 1.166 210 E CA -0.006 56.398 56.400 0.006 0.000 1.338 210 E CB 0.894 30.595 29.700 0.003 0.000 1.212 210 E HN 0.283 nan 8.360 nan 0.000 0.432 211 G N 0.124 108.930 108.800 0.010 0.000 2.600 211 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.103 211 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.103 211 G C -1.243 173.667 174.900 0.018 0.000 1.090 211 G CA -0.806 44.302 45.100 0.013 0.000 1.090 211 G HN 0.049 nan 8.290 nan 0.000 0.500 212 E N 0.683 120.896 120.200 0.022 0.000 2.249 212 E HA 0.656 5.006 4.350 -0.000 0.000 0.280 212 E C -0.888 175.730 176.600 0.030 0.000 1.016 212 E CA -0.166 56.253 56.400 0.032 0.000 0.830 212 E CB 1.700 31.427 29.700 0.045 0.000 1.081 212 E HN 0.251 nan 8.360 nan 0.000 0.395 213 S N 1.811 117.527 115.700 0.027 0.000 2.594 213 S HA 0.276 4.746 4.470 -0.000 0.000 0.296 213 S C 0.409 175.026 174.600 0.029 0.000 1.124 213 S CA -0.679 57.535 58.200 0.024 0.000 1.011 213 S CB 1.463 64.672 63.200 0.015 0.000 1.016 213 S HN 0.332 nan 8.310 nan 0.000 0.485 214 K N 1.161 121.607 120.400 0.075 0.000 2.358 214 K HA 0.354 4.674 4.320 -0.000 0.000 0.200 214 K C -0.202 176.473 176.600 0.124 0.000 1.030 214 K CA 0.151 56.533 56.287 0.159 0.000 1.097 214 K CB 1.026 33.632 32.500 0.177 0.000 0.862 214 K HN 0.345 nan 8.250 nan 0.000 0.534 215 V N 0.028 119.984 119.914 0.070 0.000 2.841 215 V HA 0.763 4.883 4.120 -0.000 0.000 0.310 215 V C -1.798 174.344 176.094 0.080 0.000 1.090 215 V CA -0.892 61.461 62.300 0.088 0.000 0.930 215 V CB 1.877 33.770 31.823 0.116 0.000 1.014 215 V HN 0.040 nan 8.190 nan 0.000 0.425 216 A N 6.476 129.361 122.820 0.108 0.000 2.337 216 A HA 0.907 5.227 4.320 -0.000 0.000 0.329 216 A C -1.207 176.455 177.584 0.131 0.000 1.146 216 A CA -0.663 51.449 52.037 0.124 0.000 0.800 216 A CB 1.176 20.275 19.000 0.165 0.000 1.220 216 A HN 0.893 nan 8.150 nan 0.000 0.472 217 L N 2.616 123.908 121.223 0.115 0.000 2.325 217 L HA 0.580 4.920 4.340 -0.000 0.000 0.281 217 L C -0.980 175.901 176.870 0.020 0.000 1.004 217 L CA -0.801 54.087 54.840 0.081 0.000 0.823 217 L CB 1.841 44.020 42.059 0.200 0.000 1.236 217 L HN 0.417 nan 8.230 nan 0.000 0.415 218 V N 3.432 123.262 119.914 -0.139 0.000 2.487 218 V HA 0.521 4.641 4.120 -0.000 0.000 0.298 218 V C -0.828 175.084 176.094 -0.303 0.000 1.028 218 V CA -0.457 61.777 62.300 -0.110 0.000 0.860 218 V CB 1.871 33.650 31.823 -0.074 0.000 0.991 218 V HN 0.388 nan 8.190 nan 0.000 0.427 219 F N 1.942 121.925 119.950 0.056 0.000 2.547 219 F HA 0.770 5.297 4.527 -0.000 0.000 0.316 219 F C 0.566 176.385 175.800 0.032 0.000 1.121 219 F CA -0.598 57.437 58.000 0.058 0.000 0.911 219 F CB 2.610 41.630 39.000 0.034 0.000 1.179 219 F HN 0.543 nan 8.300 nan 0.000 0.443 220 G N 3.756 112.692 108.800 0.226 0.000 3.881 220 G HA2 0.348 4.308 3.960 -0.000 0.000 0.319 220 G HA3 0.348 4.308 3.960 -0.000 0.000 0.319 220 G C -0.820 174.161 174.900 0.134 0.000 1.472 220 G CA -0.465 44.718 45.100 0.138 0.000 0.851 220 G HN 0.296 nan 8.290 nan 0.000 0.495 221 Q N 0.837 120.722 119.800 0.141 0.000 2.414 221 Q HA 0.225 4.565 4.340 -0.000 0.000 0.206 221 Q C 1.929 177.970 176.000 0.067 0.000 1.058 221 Q CA -0.616 55.259 55.803 0.120 0.000 1.025 221 Q CB 0.758 29.555 28.738 0.098 0.000 1.196 221 Q HN 0.725 nan 8.270 nan 0.000 0.586 222 M N -0.198 119.434 119.600 0.053 0.000 2.740 222 M HA 0.011 4.491 4.480 -0.000 0.000 0.230 222 M C 0.581 176.893 176.300 0.019 0.000 1.100 222 M CA 0.854 56.172 55.300 0.030 0.000 1.047 222 M CB -0.270 32.344 32.600 0.022 0.000 1.652 222 M HN 0.355 nan 8.290 nan 0.000 0.528 223 N N -0.077 118.635 118.700 0.020 0.000 2.373 223 N HA 0.021 4.761 4.740 -0.000 0.000 0.181 223 N C -0.265 175.252 175.510 0.013 0.000 1.082 223 N CA 0.199 53.256 53.050 0.012 0.000 0.885 223 N CB -0.107 38.383 38.487 0.005 0.000 0.977 223 N HN 0.385 nan 8.380 nan 0.000 0.462 224 E N 2.111 122.323 120.200 0.020 0.000 2.383 224 E HA 0.303 4.653 4.350 -0.000 0.000 0.264 224 E C -2.084 174.524 176.600 0.013 0.000 1.050 224 E CA -1.809 54.603 56.400 0.020 0.000 0.896 224 E CB 0.354 30.073 29.700 0.030 0.000 0.982 224 E HN 0.244 nan 8.360 nan 0.000 0.424 225 P HA 0.089 nan 4.420 nan 0.000 0.273 225 P C -1.920 175.381 177.300 0.002 0.000 1.250 225 P CA -1.115 61.987 63.100 0.004 0.000 0.793 225 P CB -0.184 31.519 31.700 0.006 0.000 1.011 226 P HA -0.264 nan 4.420 nan 0.000 0.217 226 P C 1.591 178.886 177.300 -0.009 0.000 1.162 226 P CA 2.467 65.555 63.100 -0.019 0.000 0.901 226 P CB -0.684 31.000 31.700 -0.026 0.000 0.793 227 G N -0.104 108.698 108.800 0.003 0.000 2.553 227 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.218 227 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.218 227 G C 1.716 176.634 174.900 0.031 0.000 1.195 227 G CA 1.577 46.689 45.100 0.019 0.000 0.779 227 G HN 0.395 nan 8.290 nan 0.000 0.577 228 A N 0.505 123.341 122.820 0.027 0.000 1.908 228 A HA -0.060 4.260 4.320 -0.000 0.000 0.218 228 A C 2.460 180.068 177.584 0.039 0.000 1.181 228 A CA 1.937 53.993 52.037 0.032 0.000 0.627 228 A CB -0.438 18.579 19.000 0.030 0.000 0.818 228 A HN 0.371 nan 8.150 nan 0.000 0.445 229 R N -0.691 119.829 120.500 0.032 0.000 2.115 229 R HA -0.003 4.337 4.340 -0.000 0.000 0.230 229 R C 1.984 178.326 176.300 0.071 0.000 1.111 229 R CA 1.054 57.177 56.100 0.039 0.000 0.976 229 R CB -0.333 29.975 30.300 0.014 0.000 0.870 229 R HN 0.476 nan 8.270 nan 0.000 0.445 230 A N 0.071 122.932 122.820 0.067 0.000 2.259 230 A HA 0.061 4.381 4.320 -0.000 0.000 0.208 230 A C 1.301 179.041 177.584 0.261 0.000 1.201 230 A CA 0.491 52.612 52.037 0.140 0.000 0.824 230 A CB 0.167 19.169 19.000 0.004 0.000 0.838 230 A HN 0.082 nan 8.150 nan 0.000 0.485 231 R N -2.662 117.918 120.500 0.133 0.000 2.676 231 R HA 0.098 4.438 4.340 -0.000 0.000 0.241 231 R C 1.413 177.697 176.300 -0.026 0.000 0.964 231 R CA 0.763 56.890 56.100 0.045 0.000 1.054 231 R CB -0.623 29.700 30.300 0.039 0.000 1.603 231 R HN 0.285 nan 8.270 nan 0.000 0.577 232 V N 1.713 121.628 119.914 0.001 0.000 2.759 232 V HA -0.097 4.023 4.120 -0.000 0.000 0.256 232 V C 2.105 178.158 176.094 -0.068 0.000 1.080 232 V CA 2.085 64.373 62.300 -0.021 0.000 1.101 232 V CB -0.228 31.604 31.823 0.014 0.000 0.698 232 V HN 0.305 nan 8.190 nan 0.000 0.477 233 A N -0.357 122.408 122.820 -0.091 0.000 1.969 233 A HA -0.084 4.236 4.320 -0.000 0.000 0.218 233 A C 2.083 179.537 177.584 -0.217 0.000 1.169 233 A CA 1.797 53.728 52.037 -0.176 0.000 0.635 233 A CB -0.377 18.468 19.000 -0.258 0.000 0.810 233 A HN 0.578 nan 8.150 nan 0.000 0.445 234 L N -1.201 119.887 121.223 -0.225 0.000 2.044 234 L HA -0.110 4.230 4.340 -0.000 0.000 0.205 234 L C 2.716 179.485 176.870 -0.168 0.000 1.075 234 L CA 1.597 56.295 54.840 -0.236 0.000 0.747 234 L CB -1.271 40.600 42.059 -0.314 0.000 0.903 234 L HN 0.268 nan 8.230 nan 0.000 0.435 235 T N 0.212 114.686 114.554 -0.134 0.000 2.699 235 T HA -0.192 4.158 4.350 -0.000 0.000 0.268 235 T C 1.815 176.470 174.700 -0.075 0.000 1.036 235 T CA 1.667 63.712 62.100 -0.092 0.000 1.147 235 T CB -0.575 68.255 68.868 -0.062 0.000 0.862 235 T HN 0.598 nan 8.240 nan 0.000 0.446 236 G N 0.910 109.659 108.800 -0.084 0.000 2.394 236 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.215 236 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.215 236 G C 1.501 176.366 174.900 -0.058 0.000 1.165 236 G CA 0.576 45.636 45.100 -0.068 0.000 0.784 236 G HN 0.421 nan 8.290 nan 0.000 0.535 237 L N 1.171 122.337 121.223 -0.095 0.000 2.056 237 L HA 0.029 4.369 4.340 -0.000 0.000 0.207 237 L C 2.781 179.620 176.870 -0.051 0.000 1.078 237 L CA 2.508 57.295 54.840 -0.088 0.000 0.749 237 L CB -1.120 40.856 42.059 -0.139 0.000 0.901 237 L HN 0.159 nan 8.230 nan 0.000 0.433 238 T N 0.210 114.726 114.554 -0.064 0.000 2.720 238 T HA -0.185 4.165 4.350 -0.000 0.000 0.268 238 T C 1.998 176.686 174.700 -0.019 0.000 1.037 238 T CA 2.089 64.162 62.100 -0.044 0.000 1.144 238 T CB -0.355 68.474 68.868 -0.066 0.000 0.864 238 T HN 0.355 nan 8.240 nan 0.000 0.444 239 I N 1.199 121.755 120.570 -0.023 0.000 2.226 239 I HA -0.176 3.994 4.170 -0.000 0.000 0.245 239 I C 2.938 179.115 176.117 0.101 0.000 1.100 239 I CA 1.100 62.389 61.300 -0.018 0.000 1.374 239 I CB -0.516 37.498 38.000 0.024 0.000 1.057 239 I HN 0.197 nan 8.210 nan 0.000 0.413 240 A N 0.458 123.363 122.820 0.143 0.000 1.908 240 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 240 A C 2.216 179.907 177.584 0.179 0.000 1.181 240 A CA 1.719 53.880 52.037 0.207 0.000 0.627 240 A CB -0.562 18.484 19.000 0.078 0.000 0.818 240 A HN 0.452 nan 8.150 nan 0.000 0.445 241 E N -1.871 118.382 120.200 0.088 0.000 2.106 241 E HA -0.183 4.167 4.350 -0.000 0.000 0.192 241 E C 1.846 178.485 176.600 0.064 0.000 0.984 241 E CA 1.242 57.677 56.400 0.057 0.000 0.806 241 E CB -0.277 29.436 29.700 0.021 0.000 0.750 241 E HN 0.797 nan 8.360 nan 0.000 0.458 242 Y N 0.434 120.690 120.300 -0.073 0.000 2.181 242 Y HA -0.262 4.288 4.550 -0.000 0.000 0.288 242 Y C 1.849 177.700 175.900 -0.081 0.000 1.146 242 Y CA 1.521 59.537 58.100 -0.140 0.000 1.164 242 Y CB -0.210 38.078 38.460 -0.288 0.000 0.982 242 Y HN -0.058 nan 8.280 nan 0.000 0.515 243 F N 0.203 120.252 119.950 0.167 0.000 2.171 243 F HA -0.157 4.370 4.527 -0.000 0.000 0.300 243 F C 2.713 178.531 175.800 0.030 0.000 1.090 243 F CA 1.834 59.921 58.000 0.146 0.000 1.293 243 F CB -0.789 38.364 39.000 0.255 0.000 1.013 243 F HN -0.008 nan 8.300 nan 0.000 0.486 244 R N 0.460 121.073 120.500 0.188 0.000 2.061 244 R HA -0.143 4.197 4.340 -0.000 0.000 0.230 244 R C 1.798 178.096 176.300 -0.004 0.000 1.140 244 R CA 2.119 58.265 56.100 0.076 0.000 0.940 244 R CB -0.377 29.952 30.300 0.049 0.000 0.839 244 R HN 0.143 nan 8.270 nan 0.000 0.429 245 D N -0.164 120.199 120.400 -0.061 0.000 2.120 245 D HA -0.091 4.549 4.640 -0.000 0.000 0.202 245 D C 1.842 178.038 176.300 -0.173 0.000 0.972 245 D CA 1.038 54.976 54.000 -0.103 0.000 0.837 245 D CB 0.029 40.770 40.800 -0.097 0.000 0.989 245 D HN 0.274 nan 8.370 nan 0.000 0.469 246 E N 0.298 120.287 120.200 -0.352 0.000 2.201 246 E HA -0.021 4.328 4.350 -0.000 0.000 0.193 246 E C 1.642 178.064 176.600 -0.297 0.000 0.957 246 E CA 0.348 56.476 56.400 -0.454 0.000 0.858 246 E CB 0.058 29.192 29.700 -0.943 0.000 0.816 246 E HN 0.157 nan 8.360 nan 0.000 0.475 247 E N 0.452 120.525 120.200 -0.212 0.000 2.442 247 E HA 0.094 4.444 4.350 -0.000 0.000 0.195 247 E C 0.337 176.977 176.600 0.067 0.000 1.030 247 E CA 0.525 56.960 56.400 0.058 0.000 0.869 247 E CB 0.071 29.990 29.700 0.365 0.000 0.857 247 E HN 0.276 nan 8.360 nan 0.000 0.505 248 G N 1.611 110.418 108.800 0.012 0.000 2.363 248 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.286 248 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.286 248 G C -0.173 174.728 174.900 0.002 0.000 0.975 248 G CA 1.064 46.163 45.100 -0.001 0.000 1.309 248 G HN 0.343 nan 8.290 nan 0.000 0.491 249 Q N -0.733 119.076 119.800 0.014 0.000 2.565 249 Q HA 0.475 4.815 4.340 -0.000 0.000 0.294 249 Q C -1.042 174.947 176.000 -0.018 0.000 1.005 249 Q CA -0.985 54.793 55.803 -0.043 0.000 0.771 249 Q CB 1.420 30.076 28.738 -0.137 0.000 1.486 249 Q HN 0.194 nan 8.270 nan 0.000 0.422 250 D N 0.696 121.075 120.400 -0.035 0.000 2.382 250 D HA 0.239 4.879 4.640 -0.000 0.000 0.259 250 D C -1.123 175.243 176.300 0.109 0.000 1.224 250 D CA 0.432 54.470 54.000 0.063 0.000 0.894 250 D CB 0.742 41.605 40.800 0.106 0.000 1.127 250 D HN 0.168 nan 8.370 nan 0.000 0.487 251 V N 3.983 123.921 119.914 0.040 0.000 2.513 251 V HA 0.376 4.496 4.120 -0.000 0.000 0.299 251 V C 0.259 176.256 176.094 -0.162 0.000 1.035 251 V CA -0.908 61.383 62.300 -0.014 0.000 0.889 251 V CB 1.751 33.604 31.823 0.050 0.000 0.988 251 V HN 0.364 nan 8.190 nan 0.000 0.440 252 L N 4.755 125.831 121.223 -0.245 0.000 2.287 252 L HA 0.564 4.904 4.340 -0.000 0.000 0.287 252 L C -0.893 175.797 176.870 -0.300 0.000 1.022 252 L CA -0.534 54.076 54.840 -0.382 0.000 0.814 252 L CB 1.588 43.401 42.059 -0.410 0.000 1.217 252 L HN 0.506 nan 8.230 nan 0.000 0.420 253 L N 4.667 125.629 121.223 -0.435 0.000 2.319 253 L HA 0.548 4.888 4.340 -0.000 0.000 0.281 253 L C -1.351 175.211 176.870 -0.514 0.000 1.005 253 L CA 0.136 54.784 54.840 -0.320 0.000 0.828 253 L CB 1.084 43.020 42.059 -0.205 0.000 1.227 253 L HN 0.214 nan 8.230 nan 0.000 0.415 254 F N 6.118 125.934 119.950 -0.224 0.000 2.426 254 F HA 0.569 5.096 4.527 -0.000 0.000 0.348 254 F C -0.051 175.369 175.800 -0.632 0.000 1.124 254 F CA -0.421 57.356 58.000 -0.372 0.000 1.008 254 F CB 1.337 40.134 39.000 -0.339 0.000 1.139 254 F HN 0.224 nan 8.300 nan 0.000 0.452 255 I N 3.183 123.560 120.570 -0.321 0.000 2.411 255 I HA 0.270 4.440 4.170 -0.000 0.000 0.284 255 I C -1.156 174.800 176.117 -0.267 0.000 1.012 255 I CA -0.463 60.626 61.300 -0.353 0.000 1.119 255 I CB 1.625 39.480 38.000 -0.243 0.000 1.261 255 I HN 0.406 nan 8.210 nan 0.000 0.448 256 D N 6.608 126.836 120.400 -0.287 0.000 2.440 256 D HA 0.280 4.920 4.640 -0.000 0.000 0.252 256 D C -1.225 175.086 176.300 0.018 0.000 1.180 256 D CA -0.243 53.721 54.000 -0.061 0.000 0.894 256 D CB 1.006 41.848 40.800 0.070 0.000 1.111 256 D HN 0.377 nan 8.370 nan 0.000 0.544 257 N N 4.296 123.016 118.700 0.033 0.000 2.310 257 N HA 0.156 4.896 4.740 -0.000 0.000 0.292 257 N C 0.444 175.978 175.510 0.040 0.000 1.049 257 N CA -0.508 52.566 53.050 0.040 0.000 0.849 257 N CB 1.666 40.217 38.487 0.106 0.000 1.532 257 N HN 0.293 nan 8.380 nan 0.000 0.479 258 I N 3.832 124.402 120.570 -0.001 0.000 2.493 258 I HA -0.068 4.102 4.170 -0.000 0.000 0.254 258 I C 1.753 177.922 176.117 0.086 0.000 1.160 258 I CA 0.937 62.234 61.300 -0.005 0.000 1.445 258 I CB -0.499 37.448 38.000 -0.088 0.000 1.086 258 I HN 0.641 nan 8.210 nan 0.000 0.433 259 F N 1.355 121.306 119.950 0.001 0.000 2.202 259 F HA -0.220 4.307 4.527 -0.000 0.000 0.301 259 F C 2.264 178.102 175.800 0.063 0.000 1.082 259 F CA 1.379 59.408 58.000 0.048 0.000 1.313 259 F CB -0.359 38.708 39.000 0.112 0.000 1.024 259 F HN -0.047 nan 8.300 nan 0.000 0.495 260 R N 0.120 120.569 120.500 -0.085 0.000 2.159 260 R HA -0.203 4.137 4.340 -0.000 0.000 0.237 260 R C 2.149 178.329 176.300 -0.201 0.000 1.131 260 R CA 1.477 57.465 56.100 -0.187 0.000 0.982 260 R CB -1.753 28.549 30.300 0.003 0.000 0.868 260 R HN 0.521 nan 8.270 nan 0.000 0.453 261 F N 1.637 121.453 119.950 -0.224 0.000 2.113 261 F HA -0.157 4.370 4.527 -0.000 0.000 0.297 261 F C 1.888 177.564 175.800 -0.206 0.000 1.103 261 F CA 1.656 59.550 58.000 -0.177 0.000 1.248 261 F CB -0.487 38.430 39.000 -0.138 0.000 0.999 261 F HN -0.115 nan 8.300 nan 0.000 0.475 262 T N 0.353 114.582 114.554 -0.541 0.000 2.821 262 T HA -0.230 4.120 4.350 -0.000 0.000 0.267 262 T C 1.879 176.299 174.700 -0.467 0.000 1.046 262 T CA 1.537 63.286 62.100 -0.585 0.000 1.139 262 T CB -0.386 68.282 68.868 -0.335 0.000 0.871 262 T HN 0.493 nan 8.240 nan 0.000 0.454 263 Q N 0.855 120.287 119.800 -0.613 0.000 2.046 263 Q HA -0.067 4.273 4.340 -0.000 0.000 0.200 263 Q C 2.529 178.376 176.000 -0.254 0.000 0.975 263 Q CA 1.435 56.978 55.803 -0.433 0.000 0.836 263 Q CB -0.331 28.073 28.738 -0.557 0.000 0.896 263 Q HN 0.515 nan 8.270 nan 0.000 0.428 264 A N 0.521 123.183 122.820 -0.263 0.000 1.978 264 A HA -0.131 4.189 4.320 -0.000 0.000 0.220 264 A C 2.220 179.697 177.584 -0.178 0.000 1.170 264 A CA 1.643 53.576 52.037 -0.173 0.000 0.636 264 A CB -1.242 17.680 19.000 -0.130 0.000 0.810 264 A HN 0.627 nan 8.150 nan 0.000 0.448 265 G N -0.680 107.957 108.800 -0.273 0.000 2.418 265 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.217 265 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.217 265 G C 1.953 176.777 174.900 -0.127 0.000 1.158 265 G CA 1.549 46.513 45.100 -0.227 0.000 0.771 265 G HN 0.681 nan 8.290 nan 0.000 0.545 266 S N 0.612 116.248 115.700 -0.106 0.000 2.399 266 S HA -0.115 4.354 4.470 -0.000 0.000 0.231 266 S C 2.156 176.711 174.600 -0.075 0.000 1.022 266 S CA 1.795 59.957 58.200 -0.064 0.000 0.983 266 S CB -0.375 62.786 63.200 -0.065 0.000 0.803 266 S HN 0.577 nan 8.310 nan 0.000 0.480 267 E N 0.491 120.642 120.200 -0.081 0.000 2.110 267 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 267 E C 2.076 178.648 176.600 -0.046 0.000 0.988 267 E CA 1.728 58.092 56.400 -0.060 0.000 0.804 267 E CB -0.256 29.411 29.700 -0.056 0.000 0.745 267 E HN 0.734 nan 8.360 nan 0.000 0.458 268 V N -2.438 117.447 119.914 -0.047 0.000 3.643 268 V HA 0.142 4.262 4.120 -0.000 0.000 0.280 268 V C 2.127 178.204 176.094 -0.028 0.000 1.351 268 V CA 0.539 62.820 62.300 -0.033 0.000 1.073 268 V CB 0.709 32.515 31.823 -0.028 0.000 0.863 268 V HN 0.027 nan 8.190 nan 0.000 0.436 269 S N 1.692 117.372 115.700 -0.034 0.000 2.365 269 S HA -0.228 4.242 4.470 -0.000 0.000 0.225 269 S C 2.196 176.787 174.600 -0.015 0.000 1.039 269 S CA 2.391 60.577 58.200 -0.024 0.000 1.033 269 S CB -0.455 62.733 63.200 -0.021 0.000 0.887 269 S HN 0.964 nan 8.310 nan 0.000 0.447 270 A N 1.122 123.932 122.820 -0.017 0.000 1.877 270 A HA 0.051 4.371 4.320 -0.000 0.000 0.216 270 A C 2.185 179.764 177.584 -0.008 0.000 1.186 270 A CA 1.400 53.430 52.037 -0.011 0.000 0.620 270 A CB -0.807 18.185 19.000 -0.015 0.000 0.822 270 A HN 0.575 nan 8.150 nan 0.000 0.443 271 L N -0.669 120.548 121.223 -0.009 0.000 2.456 271 L HA -0.064 4.276 4.340 -0.000 0.000 0.224 271 L C 2.138 179.007 176.870 -0.001 0.000 1.148 271 L CA 0.396 55.233 54.840 -0.004 0.000 0.825 271 L CB -0.267 41.789 42.059 -0.005 0.000 0.937 271 L HN 0.389 nan 8.230 nan 0.000 0.450 272 L N -0.922 120.299 121.223 -0.003 0.000 2.270 272 L HA 0.068 4.408 4.340 -0.000 0.000 0.210 272 L C 1.452 178.324 176.870 0.003 0.000 1.104 272 L CA 0.928 55.769 54.840 0.000 0.000 0.804 272 L CB -0.119 41.938 42.059 -0.005 0.000 0.937 272 L HN 0.418 nan 8.230 nan 0.000 0.450 273 G N -0.306 108.494 108.800 0.002 0.000 2.164 273 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.154 273 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.154 273 G C -0.025 174.877 174.900 0.003 0.000 1.014 273 G CA -0.686 44.417 45.100 0.004 0.000 0.683 273 G HN 0.122 nan 8.290 nan 0.000 0.500 274 R N 0.162 120.663 120.500 0.001 0.000 2.390 274 R HA 0.619 4.959 4.340 -0.000 0.000 0.291 274 R C 1.020 177.323 176.300 0.005 0.000 1.070 274 R CA -0.366 55.735 56.100 0.003 0.000 1.014 274 R CB 0.652 30.954 30.300 0.002 0.000 1.007 274 R HN 0.323 nan 8.270 nan 0.000 0.466 275 I N 5.790 126.365 120.570 0.008 0.000 2.618 275 I HA 0.087 4.257 4.170 -0.000 0.000 0.284 275 I C -1.524 174.601 176.117 0.013 0.000 1.146 275 I CA -1.527 59.779 61.300 0.009 0.000 1.425 275 I CB 0.607 38.613 38.000 0.011 0.000 1.383 275 I HN 0.383 nan 8.210 nan 0.000 0.562 276 P HA 0.097 nan 4.420 nan 0.000 0.275 276 P C -0.319 177.000 177.300 0.030 0.000 1.228 276 P CA -0.237 62.873 63.100 0.017 0.000 0.786 276 P CB 1.408 33.111 31.700 0.005 0.000 0.927 277 S N 1.008 116.739 115.700 0.051 0.000 2.414 277 S HA 0.584 5.054 4.470 -0.000 0.000 0.267 277 S C 0.053 174.699 174.600 0.078 0.000 1.165 277 S CA -0.337 57.903 58.200 0.067 0.000 1.028 277 S CB -0.131 63.121 63.200 0.088 0.000 1.154 277 S HN 0.614 nan 8.310 nan 0.000 0.472 278 A N 0.280 123.160 122.820 0.100 0.000 2.401 278 A HA 0.512 4.832 4.320 -0.000 0.000 0.259 278 A C 0.717 178.396 177.584 0.158 0.000 1.103 278 A CA 0.015 52.115 52.037 0.104 0.000 0.789 278 A CB -0.357 18.701 19.000 0.095 0.000 1.035 278 A HN 1.512 nan 8.150 nan 0.000 0.491 279 V N 1.602 121.579 119.914 0.105 0.000 4.349 279 V HA -0.305 3.815 4.120 -0.000 0.000 0.247 279 V C 1.647 177.721 176.094 -0.033 0.000 0.442 279 V CA 1.628 63.978 62.300 0.084 0.000 0.865 279 V CB -2.418 29.522 31.823 0.195 0.000 0.887 279 V HN 2.844 nan 8.190 nan 0.000 1.302 280 G N -2.541 106.247 108.800 -0.020 0.000 2.155 280 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.257 280 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.257 280 G C -0.176 174.628 174.900 -0.160 0.000 0.983 280 G CA 0.570 45.612 45.100 -0.096 0.000 0.676 280 G HN 0.873 nan 8.290 nan 0.000 0.528 281 Y N 0.284 120.597 120.300 0.021 0.000 2.334 281 Y HA 0.517 5.067 4.550 -0.000 0.000 0.325 281 Y C 1.302 177.196 175.900 -0.011 0.000 1.308 281 Y CA -0.486 57.616 58.100 0.004 0.000 1.389 281 Y CB 0.461 38.932 38.460 0.018 0.000 1.328 281 Y HN 0.320 nan 8.280 nan 0.000 0.532 282 Q N 2.063 121.960 119.800 0.162 0.000 2.428 282 Q HA 0.055 4.395 4.340 -0.000 0.000 0.276 282 Q C -1.882 174.161 176.000 0.072 0.000 1.059 282 Q CA -0.954 54.890 55.803 0.069 0.000 0.923 282 Q CB -0.230 28.520 28.738 0.019 0.000 1.283 282 Q HN 0.323 nan 8.270 nan 0.000 0.447 283 P HA -0.083 nan 4.420 nan 0.000 0.229 283 P C 0.392 177.709 177.300 0.028 0.000 1.160 283 P CA 0.983 64.106 63.100 0.038 0.000 0.777 283 P CB 0.133 31.849 31.700 0.027 0.000 0.814 284 T N -3.760 110.805 114.554 0.019 0.000 3.219 284 T HA 0.119 4.469 4.350 -0.000 0.000 0.249 284 T C 1.478 176.182 174.700 0.007 0.000 1.099 284 T CA -0.215 61.893 62.100 0.013 0.000 0.988 284 T CB -1.073 67.799 68.868 0.005 0.000 0.999 284 T HN -0.022 nan 8.240 nan 0.000 0.550 285 L N 1.099 122.323 121.223 0.003 0.000 1.971 285 L HA -0.108 4.232 4.340 -0.000 0.000 0.215 285 L C 2.843 179.713 176.870 -0.000 0.000 1.072 285 L CA 2.121 56.944 54.840 -0.029 0.000 0.758 285 L CB -0.759 41.261 42.059 -0.065 0.000 0.889 285 L HN 0.394 nan 8.230 nan 0.000 0.433 286 A N -1.133 121.700 122.820 0.023 0.000 1.930 286 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 286 A C 2.296 179.931 177.584 0.085 0.000 1.175 286 A CA 1.982 54.055 52.037 0.061 0.000 0.627 286 A CB -1.013 18.021 19.000 0.058 0.000 0.815 286 A HN 0.664 nan 8.150 nan 0.000 0.443 287 T N -2.961 111.632 114.554 0.065 0.000 2.978 287 T HA -0.059 4.291 4.350 -0.000 0.000 0.262 287 T C 1.305 176.054 174.700 0.082 0.000 1.063 287 T CA 1.180 63.323 62.100 0.070 0.000 1.140 287 T CB -0.319 68.579 68.868 0.050 0.000 0.886 287 T HN 0.271 nan 8.240 nan 0.000 0.470 288 D N 1.098 121.551 120.400 0.087 0.000 2.097 288 D HA -0.041 4.599 4.640 -0.000 0.000 0.195 288 D C 1.979 178.417 176.300 0.229 0.000 0.989 288 D CA 1.063 55.154 54.000 0.152 0.000 0.827 288 D CB -0.419 40.437 40.800 0.092 0.000 0.966 288 D HN 0.357 nan 8.370 nan 0.000 0.456 289 M N 0.410 120.117 119.600 0.178 0.000 2.108 289 M HA -0.110 4.370 4.480 -0.000 0.000 0.261 289 M C 2.061 178.324 176.300 -0.062 0.000 1.066 289 M CA 2.022 57.387 55.300 0.108 0.000 1.107 289 M CB -0.278 32.351 32.600 0.049 0.000 1.356 289 M HN 0.056 nan 8.290 nan 0.000 0.406 290 G N 0.453 109.274 108.800 0.035 0.000 2.459 290 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.217 290 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.217 290 G C 1.386 176.302 174.900 0.027 0.000 1.183 290 G CA 0.936 46.086 45.100 0.084 0.000 0.776 290 G HN 0.452 nan 8.290 nan 0.000 0.552 291 L N -0.364 120.880 121.223 0.035 0.000 2.079 291 L HA -0.082 4.258 4.340 -0.000 0.000 0.210 291 L C 2.674 179.519 176.870 -0.041 0.000 1.081 291 L CA 0.824 55.677 54.840 0.021 0.000 0.752 291 L CB -0.286 41.806 42.059 0.055 0.000 0.896 291 L HN 0.307 nan 8.230 nan 0.000 0.433 292 L N -1.299 119.858 121.223 -0.110 0.000 2.034 292 L HA -0.126 4.214 4.340 -0.000 0.000 0.203 292 L C 2.547 179.281 176.870 -0.227 0.000 1.074 292 L CA 1.586 56.276 54.840 -0.249 0.000 0.748 292 L CB -0.777 40.957 42.059 -0.542 0.000 0.905 292 L HN 0.115 nan 8.230 nan 0.000 0.439 293 Q N 0.398 120.042 119.800 -0.261 0.000 2.096 293 Q HA -0.231 4.109 4.340 -0.000 0.000 0.208 293 Q C 2.086 178.017 176.000 -0.115 0.000 0.993 293 Q CA 1.906 57.548 55.803 -0.267 0.000 0.862 293 Q CB -0.443 27.948 28.738 -0.578 0.000 0.915 293 Q HN 0.635 nan 8.270 nan 0.000 0.416 294 E N -0.016 120.157 120.200 -0.045 0.000 2.478 294 E HA -0.085 4.265 4.350 -0.000 0.000 0.198 294 E C 1.839 178.433 176.600 -0.009 0.000 1.046 294 E CA 0.178 56.591 56.400 0.022 0.000 0.870 294 E CB 0.066 29.805 29.700 0.066 0.000 0.818 294 E HN 0.307 nan 8.360 nan 0.000 0.527 295 R N 0.216 120.687 120.500 -0.047 0.000 2.100 295 R HA 0.109 4.449 4.340 -0.000 0.000 0.220 295 R C 1.013 177.279 176.300 -0.057 0.000 1.091 295 R CA 0.302 56.372 56.100 -0.050 0.000 0.986 295 R CB 0.051 30.308 30.300 -0.071 0.000 0.888 295 R HN 0.050 nan 8.270 nan 0.000 0.444 296 I N 1.888 122.409 120.570 -0.081 0.000 2.471 296 I HA -0.024 4.146 4.170 -0.000 0.000 0.294 296 I C 0.129 176.213 176.117 -0.055 0.000 1.123 296 I CA 0.678 61.928 61.300 -0.083 0.000 1.336 296 I CB 0.376 38.305 38.000 -0.118 0.000 1.430 296 I HN 0.010 nan 8.210 nan 0.000 0.533 297 T N 3.232 117.759 114.554 -0.044 0.000 2.786 297 T HA 0.248 4.598 4.350 -0.000 0.000 0.316 297 T C -0.489 174.191 174.700 -0.032 0.000 1.503 297 T CA -0.467 61.615 62.100 -0.030 0.000 1.019 297 T CB 1.552 70.413 68.868 -0.013 0.000 1.415 297 T HN 0.372 nan 8.240 nan 0.000 0.496 298 T N 3.025 117.561 114.554 -0.030 0.000 2.869 298 T HA 0.580 4.930 4.350 -0.000 0.000 0.295 298 T C 0.505 175.187 174.700 -0.030 0.000 0.987 298 T CA -0.234 61.849 62.100 -0.028 0.000 1.109 298 T CB 0.777 69.628 68.868 -0.027 0.000 0.932 298 T HN 0.829 nan 8.240 nan 0.000 0.518 299 T N 0.141 114.677 114.554 -0.030 0.000 2.919 299 T HA 0.458 4.808 4.350 -0.000 0.000 0.282 299 T C 1.043 175.719 174.700 -0.040 0.000 1.020 299 T CA -1.042 61.036 62.100 -0.037 0.000 0.994 299 T CB 1.249 70.097 68.868 -0.032 0.000 1.180 299 T HN 0.412 nan 8.240 nan 0.000 0.566 300 K N -0.186 120.186 120.400 -0.047 0.000 2.439 300 K HA 0.041 4.361 4.320 -0.000 0.000 0.197 300 K C 1.936 178.514 176.600 -0.037 0.000 1.041 300 K CA 0.683 56.943 56.287 -0.046 0.000 0.970 300 K CB -0.021 32.447 32.500 -0.053 0.000 0.773 300 K HN 0.482 nan 8.250 nan 0.000 0.479 301 K N 0.024 120.404 120.400 -0.035 0.000 2.323 301 K HA 0.026 4.346 4.320 -0.000 0.000 0.197 301 K C 0.399 176.982 176.600 -0.029 0.000 1.043 301 K CA 0.319 56.586 56.287 -0.033 0.000 0.997 301 K CB 0.698 33.177 32.500 -0.036 0.000 0.807 301 K HN 0.192 nan 8.250 nan 0.000 0.497 302 G N -0.801 107.985 108.800 -0.024 0.000 2.489 302 G HA2 0.176 4.136 3.960 -0.000 0.000 0.291 302 G HA3 0.176 4.136 3.960 -0.000 0.000 0.291 302 G C -1.766 173.127 174.900 -0.013 0.000 1.487 302 G CA -0.664 44.427 45.100 -0.015 0.000 0.795 302 G HN -0.092 nan 8.290 nan 0.000 0.513 303 S N -0.732 114.964 115.700 -0.006 0.000 2.437 303 S HA 0.695 5.165 4.470 -0.000 0.000 0.305 303 S C -0.476 174.119 174.600 -0.008 0.000 1.109 303 S CA -0.533 57.663 58.200 -0.008 0.000 1.099 303 S CB 1.214 64.413 63.200 -0.002 0.000 1.004 303 S HN 0.904 nan 8.310 nan 0.000 0.475 304 V N 4.864 124.761 119.914 -0.028 0.000 2.495 304 V HA 0.492 4.612 4.120 -0.000 0.000 0.298 304 V C -0.025 176.014 176.094 -0.092 0.000 1.031 304 V CA -0.598 61.667 62.300 -0.058 0.000 0.871 304 V CB 2.069 33.858 31.823 -0.057 0.000 0.988 304 V HN 0.938 nan 8.190 nan 0.000 0.432 305 T N 3.703 118.168 114.554 -0.147 0.000 2.758 305 T HA 0.477 4.827 4.350 -0.000 0.000 0.285 305 T C -0.106 174.413 174.700 -0.301 0.000 0.981 305 T CA -0.403 61.583 62.100 -0.190 0.000 0.965 305 T CB 1.050 69.811 68.868 -0.178 0.000 0.927 305 T HN 0.820 nan 8.240 nan 0.000 0.448 306 S N 2.233 117.769 115.700 -0.274 0.000 2.519 306 S HA 0.662 5.132 4.470 -0.000 0.000 0.309 306 S C -0.532 173.872 174.600 -0.327 0.000 1.100 306 S CA -0.798 57.204 58.200 -0.329 0.000 1.059 306 S CB 1.181 64.241 63.200 -0.233 0.000 1.008 306 S HN 0.375 nan 8.310 nan 0.000 0.478 307 V N 3.780 123.457 119.914 -0.395 0.000 2.347 307 V HA 0.431 4.551 4.120 -0.000 0.000 0.280 307 V C -0.280 175.719 176.094 -0.160 0.000 1.021 307 V CA -0.437 61.724 62.300 -0.231 0.000 0.847 307 V CB 0.893 32.680 31.823 -0.060 0.000 0.990 307 V HN 0.940 nan 8.190 nan 0.000 0.444 308 Q N 2.989 122.690 119.800 -0.165 0.000 2.322 308 Q HA 0.720 5.060 4.340 -0.000 0.000 0.265 308 Q C -0.145 175.758 176.000 -0.161 0.000 0.985 308 Q CA -0.495 55.209 55.803 -0.166 0.000 0.849 308 Q CB 2.314 30.937 28.738 -0.192 0.000 1.274 308 Q HN 0.899 nan 8.270 nan 0.000 0.449 309 A N 2.446 125.197 122.820 -0.116 0.000 2.409 309 A HA 0.474 4.794 4.320 -0.000 0.000 0.262 309 A C -0.428 177.058 177.584 -0.164 0.000 1.113 309 A CA -0.348 51.629 52.037 -0.100 0.000 0.790 309 A CB 0.477 19.477 19.000 0.000 0.000 1.046 309 A HN 0.516 nan 8.150 nan 0.000 0.496 310 V N 4.144 123.878 119.914 -0.300 0.000 2.349 310 V HA 0.161 4.281 4.120 -0.000 0.000 0.284 310 V C -0.477 175.474 176.094 -0.238 0.000 1.014 310 V CA -0.493 61.558 62.300 -0.414 0.000 0.826 310 V CB 0.535 31.673 31.823 -1.142 0.000 1.009 310 V HN 0.830 nan 8.190 nan 0.000 0.431 311 Y N 4.963 125.157 120.300 -0.177 0.000 2.480 311 Y HA 0.389 4.939 4.550 -0.000 0.000 0.338 311 Y C 0.121 175.802 175.900 -0.365 0.000 1.220 311 Y CA 0.241 58.187 58.100 -0.257 0.000 1.430 311 Y CB 1.137 39.409 38.460 -0.313 0.000 1.311 311 Y HN 0.383 nan 8.280 nan 0.000 0.575 312 V N 8.347 127.718 119.914 -0.905 0.000 2.305 312 V HA 0.272 4.392 4.120 -0.000 0.000 0.275 312 V C -2.348 173.269 176.094 -0.794 0.000 1.020 312 V CA -2.035 59.913 62.300 -0.587 0.000 0.811 312 V CB 0.830 32.498 31.823 -0.258 0.000 1.031 312 V HN 0.712 nan 8.190 nan 0.000 0.439 313 P HA 0.121 nan 4.420 nan 0.000 0.262 313 P C 0.756 177.975 177.300 -0.136 0.000 1.182 313 P CA 0.906 63.861 63.100 -0.241 0.000 0.761 313 P CB 0.705 32.428 31.700 0.038 0.000 0.795 314 A N 3.810 126.580 122.820 -0.083 0.000 2.816 314 A HA -0.270 4.050 4.320 -0.000 0.000 0.270 314 A C 1.024 178.568 177.584 -0.066 0.000 1.413 314 A CA 1.307 53.321 52.037 -0.039 0.000 0.866 314 A CB -2.522 16.480 19.000 0.004 0.000 1.032 314 A HN 0.622 nan 8.150 nan 0.000 0.642 315 D N -1.998 118.322 120.400 -0.134 0.000 3.046 315 D HA -0.180 4.460 4.640 -0.000 0.000 0.210 315 D C -0.188 176.075 176.300 -0.061 0.000 1.124 315 D CA 2.063 55.999 54.000 -0.106 0.000 0.986 315 D CB -1.174 39.589 40.800 -0.061 0.000 1.118 315 D HN 0.941 nan 8.370 nan 0.000 0.416 316 D N 0.348 120.720 120.400 -0.047 0.000 2.411 316 D HA 0.231 4.871 4.640 -0.000 0.000 0.225 316 D C 1.540 177.855 176.300 0.025 0.000 1.156 316 D CA -0.336 53.662 54.000 -0.003 0.000 0.874 316 D CB 0.300 41.110 40.800 0.017 0.000 1.034 316 D HN 0.103 nan 8.370 nan 0.000 0.502 317 L N 2.583 123.833 121.223 0.046 0.000 2.265 317 L HA -0.131 4.209 4.340 -0.000 0.000 0.215 317 L C 2.190 179.143 176.870 0.140 0.000 1.117 317 L CA 1.428 56.339 54.840 0.118 0.000 0.782 317 L CB -0.331 41.795 42.059 0.112 0.000 0.914 317 L HN 0.503 nan 8.230 nan 0.000 0.441 318 T N -4.357 110.246 114.554 0.083 0.000 3.169 318 T HA -0.043 4.307 4.350 -0.000 0.000 0.250 318 T C 0.686 175.443 174.700 0.095 0.000 1.111 318 T CA -0.465 61.682 62.100 0.078 0.000 1.010 318 T CB -0.400 68.493 68.868 0.042 0.000 0.984 318 T HN 0.177 nan 8.240 nan 0.000 0.537 319 D N 2.390 122.856 120.400 0.111 0.000 2.455 319 D HA 0.046 4.686 4.640 -0.000 0.000 0.241 319 D C -1.418 174.949 176.300 0.111 0.000 1.138 319 D CA -1.530 52.558 54.000 0.146 0.000 0.877 319 D CB 1.599 42.497 40.800 0.163 0.000 1.187 319 D HN 0.026 nan 8.370 nan 0.000 0.451 320 P HA -0.219 nan 4.420 nan 0.000 0.218 320 P C 0.850 178.069 177.300 -0.135 0.000 1.154 320 P CA 2.032 65.098 63.100 -0.057 0.000 0.872 320 P CB 0.130 31.745 31.700 -0.142 0.000 0.790 321 A N -0.008 122.658 122.820 -0.256 0.000 1.828 321 A HA -0.116 4.204 4.320 -0.000 0.000 0.215 321 A C -0.029 177.603 177.584 0.080 0.000 1.203 321 A CA 2.332 54.296 52.037 -0.121 0.000 0.614 321 A CB -2.244 16.781 19.000 0.041 0.000 0.844 321 A HN 0.204 nan 8.150 nan 0.000 0.445 322 P HA -0.158 nan 4.420 nan 0.000 0.216 322 P C 1.646 179.113 177.300 0.279 0.000 1.150 322 P CA 2.082 65.293 63.100 0.184 0.000 0.837 322 P CB -0.253 31.570 31.700 0.206 0.000 0.786 323 A N 0.292 123.276 122.820 0.273 0.000 1.873 323 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 323 A C 2.341 180.099 177.584 0.290 0.000 1.193 323 A CA 2.948 55.178 52.037 0.321 0.000 0.629 323 A CB -2.066 17.039 19.000 0.174 0.000 0.826 323 A HN 0.239 nan 8.150 nan 0.000 0.447 324 T N -0.181 114.480 114.554 0.178 0.000 2.915 324 T HA -0.080 4.270 4.350 -0.000 0.000 0.269 324 T C 1.787 176.640 174.700 0.255 0.000 1.071 324 T CA 1.723 63.925 62.100 0.169 0.000 1.132 324 T CB -0.477 68.451 68.868 0.100 0.000 0.878 324 T HN 0.618 nan 8.240 nan 0.000 0.479 325 T N 1.468 116.163 114.554 0.234 0.000 2.951 325 T HA 0.075 4.425 4.350 -0.000 0.000 0.268 325 T C 1.482 176.359 174.700 0.294 0.000 1.073 325 T CA 0.464 62.700 62.100 0.226 0.000 1.134 325 T CB -0.418 68.482 68.868 0.053 0.000 0.884 325 T HN 0.260 nan 8.240 nan 0.000 0.479 326 F N 2.266 122.388 119.950 0.286 0.000 2.069 326 F HA -0.064 4.463 4.527 0.000 0.000 0.298 326 F C 2.661 178.515 175.800 0.090 0.000 1.113 326 F CA 1.123 59.215 58.000 0.154 0.000 1.214 326 F CB -0.774 38.204 39.000 -0.036 0.000 0.978 326 F HN 0.147 nan 8.300 nan 0.000 0.474 327 A N -1.734 121.222 122.820 0.228 0.000 2.248 327 A HA -0.151 4.169 4.320 -0.000 0.000 0.210 327 A C 1.557 179.101 177.584 -0.067 0.000 1.174 327 A CA 1.036 53.098 52.037 0.041 0.000 0.750 327 A CB -1.036 17.937 19.000 -0.044 0.000 0.780 327 A HN 0.492 nan 8.150 nan 0.000 0.478 328 H N -1.244 117.884 119.070 0.098 0.000 2.539 328 H HA 0.340 4.896 4.556 -0.000 0.000 0.269 328 H C -0.200 175.154 175.328 0.044 0.000 0.980 328 H CA 0.369 56.450 56.048 0.056 0.000 1.152 328 H CB 0.143 29.926 29.762 0.035 0.000 1.407 328 H HN 0.347 nan 8.280 nan 0.000 0.564 329 L N -0.102 121.215 121.223 0.157 0.000 2.323 329 L HA 0.210 4.550 4.340 -0.000 0.000 0.265 329 L C 0.853 177.773 176.870 0.083 0.000 1.012 329 L CA -0.598 54.309 54.840 0.113 0.000 0.820 329 L CB 2.212 44.358 42.059 0.146 0.000 1.334 329 L HN -0.124 nan 8.230 nan 0.000 0.427 330 D N 0.648 121.079 120.400 0.051 0.000 2.324 330 D HA 0.178 4.818 4.640 -0.000 0.000 0.212 330 D C 0.163 176.502 176.300 0.066 0.000 0.984 330 D CA 0.605 54.634 54.000 0.048 0.000 0.885 330 D CB 0.917 41.734 40.800 0.028 0.000 0.996 330 D HN 0.478 nan 8.370 nan 0.000 0.505 331 A N 0.765 123.621 122.820 0.059 0.000 2.393 331 A HA 0.573 4.893 4.320 -0.000 0.000 0.306 331 A C -0.486 177.159 177.584 0.103 0.000 1.050 331 A CA -0.558 51.543 52.037 0.107 0.000 0.724 331 A CB 1.480 20.593 19.000 0.189 0.000 1.248 331 A HN -0.011 nan 8.150 nan 0.000 0.424 332 T N -0.502 114.145 114.554 0.156 0.000 2.840 332 T HA 0.643 4.993 4.350 -0.000 0.000 0.287 332 T C -0.519 174.284 174.700 0.173 0.000 0.991 332 T CA -0.475 61.733 62.100 0.179 0.000 0.964 332 T CB 1.162 70.129 68.868 0.165 0.000 0.954 332 T HN 0.422 nan 8.240 nan 0.000 0.438 333 T N 3.384 118.052 114.554 0.191 0.000 2.801 333 T HA 0.470 4.820 4.350 -0.000 0.000 0.306 333 T C -0.036 174.726 174.700 0.102 0.000 1.020 333 T CA -0.518 61.653 62.100 0.119 0.000 0.948 333 T CB 0.786 69.688 68.868 0.056 0.000 0.962 333 T HN 0.621 nan 8.240 nan 0.000 0.465 334 V N 5.992 125.953 119.914 0.079 0.000 2.383 334 V HA 0.396 4.516 4.120 -0.000 0.000 0.275 334 V C 0.158 176.286 176.094 0.056 0.000 1.036 334 V CA -0.744 61.611 62.300 0.093 0.000 0.889 334 V CB 0.854 32.712 31.823 0.059 0.000 0.985 334 V HN 0.728 nan 8.190 nan 0.000 0.459 335 L N 3.660 124.921 121.223 0.063 0.000 2.343 335 L HA 0.639 4.979 4.340 -0.000 0.000 0.275 335 L C 0.288 177.180 176.870 0.036 0.000 1.056 335 L CA -0.081 54.788 54.840 0.049 0.000 0.804 335 L CB 1.699 43.794 42.059 0.059 0.000 1.203 335 L HN 0.606 nan 8.230 nan 0.000 0.440 336 S N 0.649 116.361 115.700 0.021 0.000 2.594 336 S HA 0.298 4.768 4.470 -0.000 0.000 0.296 336 S C 0.583 175.175 174.600 -0.014 0.000 1.124 336 S CA -0.709 57.490 58.200 -0.000 0.000 1.011 336 S CB 1.640 64.834 63.200 -0.011 0.000 1.016 336 S HN 0.695 nan 8.310 nan 0.000 0.485 337 R N 2.954 123.446 120.500 -0.013 0.000 2.189 337 R HA -0.041 4.299 4.340 -0.000 0.000 0.223 337 R C 1.861 178.143 176.300 -0.030 0.000 1.092 337 R CA 1.530 57.621 56.100 -0.016 0.000 0.989 337 R CB -0.579 29.715 30.300 -0.009 0.000 0.876 337 R HN 0.788 nan 8.270 nan 0.000 0.457 338 G N 0.793 109.573 108.800 -0.033 0.000 2.421 338 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.217 338 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.217 338 G C 1.347 176.216 174.900 -0.052 0.000 1.143 338 G CA 0.196 45.272 45.100 -0.040 0.000 0.784 338 G HN 0.161 nan 8.290 nan 0.000 0.541 339 I N 1.927 122.462 120.570 -0.058 0.000 2.406 339 I HA -0.079 4.091 4.170 -0.000 0.000 0.249 339 I C 3.022 179.048 176.117 -0.150 0.000 1.122 339 I CA 1.574 62.829 61.300 -0.075 0.000 1.431 339 I CB -0.881 37.088 38.000 -0.052 0.000 1.087 339 I HN 0.353 nan 8.210 nan 0.000 0.424 340 S N 0.437 116.029 115.700 -0.180 0.000 2.428 340 S HA -0.117 4.353 4.470 -0.000 0.000 0.230 340 S C 1.707 176.165 174.600 -0.236 0.000 1.014 340 S CA 0.711 58.702 58.200 -0.349 0.000 0.957 340 S CB -0.331 62.756 63.200 -0.188 0.000 0.784 340 S HN 0.434 nan 8.310 nan 0.000 0.499 341 E N 1.291 121.427 120.200 -0.107 0.000 2.077 341 E HA -0.064 4.286 4.350 -0.000 0.000 0.193 341 E C 1.754 178.320 176.600 -0.057 0.000 0.989 341 E CA 1.468 57.836 56.400 -0.052 0.000 0.800 341 E CB -0.396 29.285 29.700 -0.032 0.000 0.746 341 E HN 0.609 nan 8.360 nan 0.000 0.452 342 L N -0.414 120.763 121.223 -0.076 0.000 2.633 342 L HA 0.046 4.386 4.340 -0.000 0.000 0.235 342 L C 1.512 178.338 176.870 -0.074 0.000 1.163 342 L CA 0.532 55.333 54.840 -0.065 0.000 0.859 342 L CB -0.447 41.582 42.059 -0.050 0.000 0.973 342 L HN 0.287 nan 8.230 nan 0.000 0.451 343 G N 0.350 109.088 108.800 -0.104 0.000 2.143 343 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.249 343 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.249 343 G C 0.204 175.099 174.900 -0.009 0.000 0.981 343 G CA -0.356 44.729 45.100 -0.026 0.000 0.665 343 G HN 0.189 nan 8.290 nan 0.000 0.528 344 I N 1.218 121.698 120.570 -0.150 0.000 2.347 344 I HA 0.409 4.579 4.170 -0.000 0.000 0.294 344 I C -0.116 175.853 176.117 -0.247 0.000 1.090 344 I CA -0.817 60.460 61.300 -0.039 0.000 1.314 344 I CB -0.671 37.332 38.000 0.005 0.000 1.423 344 I HN 0.050 nan 8.210 nan 0.000 0.503 345 Y N 7.503 127.828 120.300 0.040 0.000 2.409 345 Y HA 0.459 5.009 4.550 -0.000 0.000 0.343 345 Y C -2.081 173.696 175.900 -0.204 0.000 0.973 345 Y CA -2.755 55.304 58.100 -0.067 0.000 1.064 345 Y CB 1.860 40.257 38.460 -0.105 0.000 1.207 345 Y HN 0.406 nan 8.280 nan 0.000 0.452 346 P HA 0.141 nan 4.420 nan 0.000 0.275 346 P C -0.288 177.132 177.300 0.200 0.000 1.228 346 P CA -0.274 62.941 63.100 0.192 0.000 0.786 346 P CB 1.234 33.168 31.700 0.390 0.000 0.927 347 A N 2.960 125.904 122.820 0.206 0.000 2.324 347 A HA 0.138 4.458 4.320 -0.000 0.000 0.240 347 A C 0.598 178.226 177.584 0.074 0.000 1.347 347 A CA -0.190 51.883 52.037 0.060 0.000 1.036 347 A CB -1.257 17.751 19.000 0.014 0.000 0.917 347 A HN 0.388 nan 8.150 nan 0.000 0.519 348 V N 1.731 121.715 119.914 0.118 0.000 2.458 348 V HA -0.038 4.081 4.120 -0.000 0.000 0.287 348 V C 0.554 176.676 176.094 0.048 0.000 1.009 348 V CA -0.200 62.153 62.300 0.089 0.000 1.091 348 V CB 0.241 32.142 31.823 0.131 0.000 0.960 348 V HN 0.560 nan 8.190 nan 0.000 0.476 349 D N 8.908 129.324 120.400 0.027 0.000 2.358 349 D HA 0.089 4.729 4.640 -0.000 0.000 0.258 349 D C -1.197 175.104 176.300 0.002 0.000 1.223 349 D CA -1.779 52.225 54.000 0.007 0.000 0.886 349 D CB 1.777 42.575 40.800 -0.004 0.000 1.120 349 D HN 0.305 nan 8.370 nan 0.000 0.482 350 P HA 0.000 nan 4.420 nan 0.000 0.236 350 P C 1.150 178.430 177.300 -0.033 0.000 1.177 350 P CA 0.408 63.496 63.100 -0.020 0.000 0.773 350 P CB 0.461 32.148 31.700 -0.023 0.000 0.878 351 L N -1.079 120.125 121.223 -0.033 0.000 2.693 351 L HA 0.270 4.610 4.340 -0.000 0.000 0.235 351 L C 1.237 178.074 176.870 -0.056 0.000 1.127 351 L CA 0.393 55.206 54.840 -0.044 0.000 0.914 351 L CB 0.057 42.091 42.059 -0.041 0.000 1.193 351 L HN -0.156 nan 8.230 nan 0.000 0.502 352 D N -0.829 119.540 120.400 -0.051 0.000 2.563 352 D HA 0.101 4.741 4.640 -0.000 0.000 0.237 352 D C -0.109 176.158 176.300 -0.055 0.000 1.282 352 D CA 0.185 54.141 54.000 -0.073 0.000 0.816 352 D CB 0.698 41.455 40.800 -0.072 0.000 1.066 352 D HN -0.151 nan 8.370 nan 0.000 0.501 353 S N 0.639 116.323 115.700 -0.027 0.000 2.456 353 S HA 0.473 4.943 4.470 -0.000 0.000 0.316 353 S C -0.314 174.290 174.600 0.006 0.000 1.089 353 S CA -0.703 57.502 58.200 0.009 0.000 1.101 353 S CB 1.509 64.727 63.200 0.030 0.000 0.995 353 S HN -0.006 nan 8.310 nan 0.000 0.468 354 K N 1.381 121.797 120.400 0.027 0.000 2.340 354 K HA 0.723 5.043 4.320 -0.000 0.000 0.244 354 K C -0.639 176.004 176.600 0.070 0.000 0.973 354 K CA -0.703 55.598 56.287 0.023 0.000 0.828 354 K CB 2.031 34.527 32.500 -0.007 0.000 1.226 354 K HN 0.538 nan 8.250 nan 0.000 0.437 355 S N 0.097 115.832 115.700 0.059 0.000 2.543 355 S HA 0.187 4.657 4.470 -0.000 0.000 0.273 355 S C 0.326 174.959 174.600 0.055 0.000 1.152 355 S CA -0.752 57.496 58.200 0.080 0.000 0.910 355 S CB 1.135 64.400 63.200 0.108 0.000 1.105 355 S HN 0.715 nan 8.310 nan 0.000 0.465 356 R N 3.838 124.370 120.500 0.054 0.000 2.276 356 R HA 0.198 4.538 4.340 -0.000 0.000 0.203 356 R C 0.772 177.097 176.300 0.042 0.000 1.017 356 R CA 0.715 56.841 56.100 0.043 0.000 1.010 356 R CB -0.384 29.938 30.300 0.037 0.000 0.900 356 R HN 0.634 nan 8.270 nan 0.000 0.469 357 L N 0.957 122.205 121.223 0.043 0.000 2.554 357 L HA 0.095 4.435 4.340 -0.000 0.000 0.226 357 L C 0.827 177.705 176.870 0.015 0.000 1.137 357 L CA -0.073 54.784 54.840 0.028 0.000 0.863 357 L CB -0.070 42.006 42.059 0.029 0.000 0.985 357 L HN 0.176 nan 8.230 nan 0.000 0.451 358 L N 1.638 122.878 121.223 0.029 0.000 2.416 358 L HA 0.121 4.461 4.340 -0.000 0.000 0.243 358 L C -0.385 176.583 176.870 0.163 0.000 1.373 358 L CA 0.409 55.271 54.840 0.036 0.000 1.227 358 L CB -0.715 41.343 42.059 -0.003 0.000 1.428 358 L HN 0.010 nan 8.230 nan 0.000 0.425 359 D N 1.005 121.495 120.400 0.151 0.000 2.649 359 D HA 0.446 5.086 4.640 -0.000 0.000 0.249 359 D C 0.947 177.299 176.300 0.087 0.000 1.112 359 D CA 0.066 54.156 54.000 0.151 0.000 0.850 359 D CB 2.095 42.925 40.800 0.050 0.000 1.399 359 D HN 0.218 nan 8.370 nan 0.000 0.503 360 A N 3.445 126.217 122.820 -0.079 0.000 1.948 360 A HA -0.049 4.271 4.320 -0.000 0.000 0.220 360 A C 1.942 179.479 177.584 -0.078 0.000 1.177 360 A CA 1.949 53.895 52.037 -0.152 0.000 0.636 360 A CB -0.776 17.937 19.000 -0.479 0.000 0.815 360 A HN 0.696 nan 8.150 nan 0.000 0.449 361 A N -1.264 121.506 122.820 -0.082 0.000 2.248 361 A HA 0.319 4.639 4.320 -0.000 0.000 0.210 361 A C 1.589 179.156 177.584 -0.028 0.000 1.174 361 A CA 1.428 53.436 52.037 -0.049 0.000 0.750 361 A CB -0.270 18.701 19.000 -0.048 0.000 0.780 361 A HN 0.413 nan 8.150 nan 0.000 0.478 362 V N -1.562 118.338 119.914 -0.023 0.000 3.161 362 V HA -0.045 4.075 4.120 -0.000 0.000 0.221 362 V C 2.209 178.278 176.094 -0.042 0.000 1.296 362 V CA 0.978 63.263 62.300 -0.024 0.000 1.306 362 V CB -0.024 31.787 31.823 -0.020 0.000 1.171 362 V HN 0.364 nan 8.190 nan 0.000 0.513 363 V N -0.431 119.434 119.914 -0.081 0.000 3.041 363 V HA 0.583 4.703 4.120 -0.000 0.000 0.260 363 V C 0.954 177.022 176.094 -0.044 0.000 1.105 363 V CA 0.716 62.908 62.300 -0.181 0.000 1.125 363 V CB -0.941 30.529 31.823 -0.588 0.000 0.730 363 V HN 1.160 nan 8.190 nan 0.000 0.479 364 G N 0.340 109.150 108.800 0.016 0.000 3.067 364 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.686 364 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.686 364 G C -0.202 174.768 174.900 0.117 0.000 1.119 364 G CA 0.196 45.335 45.100 0.065 0.000 0.790 364 G HN 0.491 nan 8.290 nan 0.000 0.605 365 Q N 0.581 120.427 119.800 0.077 0.000 2.133 365 Q HA -0.162 4.178 4.340 -0.000 0.000 0.208 365 Q C 2.235 178.331 176.000 0.161 0.000 0.991 365 Q CA 3.017 58.872 55.803 0.086 0.000 0.867 365 Q CB -0.198 28.559 28.738 0.032 0.000 0.911 365 Q HN 0.846 nan 8.270 nan 0.000 0.417 366 E N -1.176 119.108 120.200 0.140 0.000 2.038 366 E HA -0.280 4.070 4.350 -0.000 0.000 0.195 366 E C 1.966 178.675 176.600 0.181 0.000 1.000 366 E CA 1.190 57.673 56.400 0.139 0.000 0.803 366 E CB -0.351 29.413 29.700 0.107 0.000 0.750 366 E HN 0.578 nan 8.360 nan 0.000 0.448 367 H N 0.043 119.168 119.070 0.093 0.000 2.265 367 H HA -0.246 4.310 4.556 -0.000 0.000 0.293 367 H C 2.018 177.398 175.328 0.087 0.000 1.089 367 H CA 2.279 58.373 56.048 0.078 0.000 1.244 367 H CB -0.927 28.876 29.762 0.069 0.000 1.355 367 H HN 0.323 nan 8.280 nan 0.000 0.485 368 Y N 1.556 122.004 120.300 0.247 0.000 2.069 368 Y HA -0.287 4.263 4.550 -0.000 0.000 0.278 368 Y C 2.391 178.350 175.900 0.098 0.000 1.175 368 Y CA 2.369 60.553 58.100 0.139 0.000 1.134 368 Y CB -0.339 38.157 38.460 0.060 0.000 0.965 368 Y HN 0.262 nan 8.280 nan 0.000 0.498 369 D N -0.807 119.768 120.400 0.292 0.000 2.144 369 D HA -0.171 4.469 4.640 -0.000 0.000 0.199 369 D C 2.360 178.702 176.300 0.070 0.000 0.984 369 D CA 1.538 55.646 54.000 0.180 0.000 0.834 369 D CB -0.414 40.483 40.800 0.163 0.000 0.955 369 D HN 0.306 nan 8.370 nan 0.000 0.465 370 V N 1.288 121.236 119.914 0.056 0.000 2.270 370 V HA -0.228 3.892 4.120 -0.000 0.000 0.245 370 V C 2.544 178.613 176.094 -0.042 0.000 1.043 370 V CA 1.805 64.115 62.300 0.016 0.000 1.014 370 V CB -0.923 30.900 31.823 0.000 0.000 0.645 370 V HN 0.185 nan 8.190 nan 0.000 0.447 371 A N -0.040 122.729 122.820 -0.085 0.000 1.917 371 A HA -0.274 4.046 4.320 -0.000 0.000 0.219 371 A C 2.471 179.968 177.584 -0.145 0.000 1.182 371 A CA 2.601 54.557 52.037 -0.134 0.000 0.633 371 A CB -0.896 18.045 19.000 -0.099 0.000 0.819 371 A HN 0.536 nan 8.150 nan 0.000 0.448 372 S N -0.501 115.095 115.700 -0.174 0.000 2.359 372 S HA -0.217 4.253 4.470 -0.000 0.000 0.222 372 S C 2.026 176.587 174.600 -0.065 0.000 1.038 372 S CA 1.940 60.049 58.200 -0.152 0.000 1.051 372 S CB -0.312 62.812 63.200 -0.126 0.000 0.944 372 S HN 0.664 nan 8.310 nan 0.000 0.433 373 K N 0.849 121.233 120.400 -0.026 0.000 2.148 373 K HA 0.016 4.336 4.320 -0.000 0.000 0.204 373 K C 1.891 178.494 176.600 0.005 0.000 1.050 373 K CA 0.617 56.906 56.287 0.003 0.000 0.942 373 K CB -0.266 32.249 32.500 0.026 0.000 0.724 373 K HN 0.115 nan 8.250 nan 0.000 0.446 374 V N 1.453 121.362 119.914 -0.009 0.000 2.287 374 V HA -0.324 3.796 4.120 -0.000 0.000 0.248 374 V C 2.230 178.314 176.094 -0.016 0.000 1.053 374 V CA 1.963 64.259 62.300 -0.007 0.000 1.027 374 V CB -0.450 31.322 31.823 -0.086 0.000 0.646 374 V HN 0.455 nan 8.190 nan 0.000 0.447 375 Q N -0.735 119.039 119.800 -0.044 0.000 2.119 375 Q HA -0.217 4.123 4.340 -0.000 0.000 0.201 375 Q C 2.290 178.283 176.000 -0.012 0.000 0.972 375 Q CA 1.620 57.400 55.803 -0.037 0.000 0.847 375 Q CB -0.165 28.535 28.738 -0.063 0.000 0.903 375 Q HN 0.707 nan 8.270 nan 0.000 0.433 376 E N 0.059 120.253 120.200 -0.009 0.000 2.051 376 E HA -0.147 4.203 4.350 -0.000 0.000 0.192 376 E C 2.086 178.700 176.600 0.024 0.000 0.991 376 E CA 1.560 57.964 56.400 0.006 0.000 0.799 376 E CB -0.068 29.637 29.700 0.007 0.000 0.748 376 E HN 0.314 nan 8.360 nan 0.000 0.449 377 T N 1.907 116.479 114.554 0.029 0.000 2.665 377 T HA -0.188 4.162 4.350 -0.000 0.000 0.268 377 T C 1.997 176.741 174.700 0.072 0.000 1.035 377 T CA 1.133 63.258 62.100 0.041 0.000 1.151 377 T CB -0.257 68.634 68.868 0.038 0.000 0.862 377 T HN 0.080 nan 8.240 nan 0.000 0.438 378 L N 0.398 121.665 121.223 0.073 0.000 2.109 378 L HA -0.041 4.299 4.340 -0.000 0.000 0.207 378 L C 2.855 179.778 176.870 0.089 0.000 1.086 378 L CA 0.924 55.830 54.840 0.110 0.000 0.760 378 L CB -0.433 41.668 42.059 0.070 0.000 0.910 378 L HN 0.172 nan 8.230 nan 0.000 0.437 379 Q N -0.084 119.742 119.800 0.043 0.000 2.119 379 Q HA -0.159 4.181 4.340 -0.000 0.000 0.201 379 Q C 2.074 178.096 176.000 0.036 0.000 0.972 379 Q CA 2.229 58.044 55.803 0.019 0.000 0.847 379 Q CB -0.373 28.366 28.738 0.002 0.000 0.903 379 Q HN 0.325 nan 8.270 nan 0.000 0.433 380 T N 0.072 114.660 114.554 0.058 0.000 2.684 380 T HA -0.188 4.162 4.350 -0.000 0.000 0.267 380 T C 1.235 176.013 174.700 0.131 0.000 1.036 380 T CA 1.518 63.661 62.100 0.072 0.000 1.148 380 T CB -0.601 68.304 68.868 0.063 0.000 0.863 380 T HN 0.397 nan 8.240 nan 0.000 0.436 381 Y N 1.915 122.211 120.300 -0.007 0.000 2.181 381 Y HA 0.001 4.551 4.550 -0.000 0.000 0.288 381 Y C 2.331 178.225 175.900 -0.009 0.000 1.146 381 Y CA 1.052 59.148 58.100 -0.007 0.000 1.164 381 Y CB -0.396 38.061 38.460 -0.006 0.000 0.982 381 Y HN 0.070 nan 8.280 nan 0.000 0.515 382 K N -0.664 119.682 120.400 -0.090 0.000 2.217 382 K HA -0.086 4.234 4.320 -0.000 0.000 0.202 382 K C 2.074 178.605 176.600 -0.114 0.000 1.051 382 K CA 1.178 57.349 56.287 -0.194 0.000 0.952 382 K CB 0.033 32.459 32.500 -0.124 0.000 0.736 382 K HN 0.251 nan 8.250 nan 0.000 0.453 383 S N 1.007 116.681 115.700 -0.043 0.000 2.387 383 S HA -0.029 4.441 4.470 -0.000 0.000 0.226 383 S C 1.461 176.052 174.600 -0.015 0.000 1.026 383 S CA 0.777 58.963 58.200 -0.024 0.000 0.972 383 S CB -0.001 63.198 63.200 -0.001 0.000 0.814 383 S HN 0.268 nan 8.310 nan 0.000 0.477 384 L N 1.091 122.321 121.223 0.011 0.000 2.629 384 L HA 0.236 4.576 4.340 -0.000 0.000 0.230 384 L C 1.875 178.760 176.870 0.024 0.000 1.151 384 L CA 0.180 55.042 54.840 0.037 0.000 0.924 384 L CB -0.320 41.792 42.059 0.089 0.000 1.137 384 L HN 0.243 nan 8.230 nan 0.000 0.457 385 Q N -0.006 119.769 119.800 -0.042 0.000 2.482 385 Q HA -0.104 4.236 4.340 -0.000 0.000 0.209 385 Q C 0.790 176.770 176.000 -0.034 0.000 0.961 385 Q CA 0.518 56.281 55.803 -0.067 0.000 0.945 385 Q CB 0.317 28.948 28.738 -0.178 0.000 1.012 385 Q HN 0.449 nan 8.270 nan 0.000 0.515 386 D N -0.549 119.840 120.400 -0.019 0.000 2.468 386 D HA -0.028 4.612 4.640 -0.000 0.000 0.243 386 D C 1.410 177.713 176.300 0.005 0.000 0.994 386 D CA 0.502 54.496 54.000 -0.009 0.000 0.932 386 D CB 0.008 40.801 40.800 -0.011 0.000 1.078 386 D HN 0.128 nan 8.370 nan 0.000 0.473 387 I N 1.133 121.709 120.570 0.011 0.000 2.300 387 I HA -0.255 3.915 4.170 -0.000 0.000 0.252 387 I C 2.166 178.298 176.117 0.025 0.000 1.119 387 I CA 1.207 62.518 61.300 0.018 0.000 1.384 387 I CB -0.281 37.733 38.000 0.023 0.000 1.062 387 I HN 0.055 nan 8.210 nan 0.000 0.426 388 I N -0.694 119.899 120.570 0.038 0.000 2.556 388 I HA -0.002 4.168 4.170 -0.000 0.000 0.251 388 I C 2.507 178.645 176.117 0.035 0.000 1.105 388 I CA 0.854 62.182 61.300 0.047 0.000 1.436 388 I CB -0.524 37.529 38.000 0.087 0.000 1.139 388 I HN 0.074 nan 8.210 nan 0.000 0.438 389 A N 0.543 123.379 122.820 0.027 0.000 2.067 389 A HA -0.033 4.287 4.320 -0.000 0.000 0.219 389 A C 2.076 179.666 177.584 0.010 0.000 1.158 389 A CA 1.639 53.687 52.037 0.017 0.000 0.661 389 A CB -0.374 18.629 19.000 0.005 0.000 0.801 389 A HN 0.394 nan 8.150 nan 0.000 0.452 390 I N -2.046 118.530 120.570 0.009 0.000 3.883 390 I HA 0.136 4.306 4.170 -0.000 0.000 0.305 390 I C 1.651 177.772 176.117 0.007 0.000 1.247 390 I CA 0.573 61.877 61.300 0.005 0.000 1.350 390 I CB 0.345 38.346 38.000 0.002 0.000 1.194 390 I HN 0.164 nan 8.210 nan 0.000 0.441 391 L N -0.508 120.721 121.223 0.010 0.000 2.575 391 L HA 0.562 4.902 4.340 -0.000 0.000 0.228 391 L C 0.745 177.622 176.870 0.011 0.000 1.075 391 L CA 0.214 55.060 54.840 0.009 0.000 0.867 391 L CB -0.065 42.000 42.059 0.009 0.000 1.097 391 L HN 0.233 nan 8.230 nan 0.000 0.485 392 G N -0.673 108.137 108.800 0.016 0.000 2.587 392 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.686 392 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.686 392 G C 0.036 174.948 174.900 0.019 0.000 1.236 392 G CA -0.491 44.619 45.100 0.016 0.000 0.820 392 G HN -0.204 nan 8.290 nan 0.000 0.645 393 M N 0.114 119.725 119.600 0.018 0.000 2.296 393 M HA -0.026 4.454 4.480 -0.000 0.000 0.265 393 M C 1.835 178.140 176.300 0.009 0.000 1.064 393 M CA 1.859 57.167 55.300 0.014 0.000 1.109 393 M CB -0.726 31.879 32.600 0.008 0.000 1.396 393 M HN 0.665 nan 8.290 nan 0.000 0.430 394 D N 0.312 120.716 120.400 0.007 0.000 2.378 394 D HA -0.103 4.537 4.640 -0.000 0.000 0.227 394 D C 1.744 178.047 176.300 0.006 0.000 1.012 394 D CA 0.620 54.623 54.000 0.005 0.000 0.905 394 D CB 0.234 41.037 40.800 0.004 0.000 0.895 394 D HN 0.230 nan 8.370 nan 0.000 0.532 395 E N -0.382 119.823 120.200 0.009 0.000 2.170 395 E HA -0.033 4.317 4.350 -0.000 0.000 0.191 395 E C 0.560 177.166 176.600 0.010 0.000 0.981 395 E CA 0.093 56.498 56.400 0.009 0.000 0.830 395 E CB 0.233 29.940 29.700 0.012 0.000 0.775 395 E HN 0.256 nan 8.360 nan 0.000 0.470 396 L N 1.528 122.757 121.223 0.011 0.000 2.461 396 L HA 0.034 4.374 4.340 -0.000 0.000 0.272 396 L C 1.161 178.034 176.870 0.006 0.000 1.197 396 L CA 0.388 55.234 54.840 0.011 0.000 0.836 396 L CB 0.393 42.459 42.059 0.011 0.000 1.105 396 L HN -0.033 nan 8.230 nan 0.000 0.477 397 S N 1.693 117.397 115.700 0.007 0.000 2.606 397 S HA 0.024 4.494 4.470 -0.000 0.000 0.257 397 S C 1.307 175.908 174.600 0.002 0.000 1.327 397 S CA -0.262 57.941 58.200 0.004 0.000 0.984 397 S CB 0.610 63.813 63.200 0.005 0.000 0.941 397 S HN 0.596 nan 8.310 nan 0.000 0.576 398 E N 0.996 121.196 120.200 0.001 0.000 2.038 398 E HA -0.219 4.131 4.350 -0.000 0.000 0.195 398 E C 1.950 178.548 176.600 -0.002 0.000 1.000 398 E CA 1.465 57.865 56.400 -0.001 0.000 0.803 398 E CB -0.447 29.253 29.700 -0.001 0.000 0.750 398 E HN 0.816 nan 8.360 nan 0.000 0.448 399 Q N 0.374 120.173 119.800 -0.000 0.000 2.297 399 Q HA -0.133 4.207 4.340 -0.000 0.000 0.204 399 Q C 1.328 177.328 176.000 -0.001 0.000 0.962 399 Q CA 0.829 56.632 55.803 -0.000 0.000 0.879 399 Q CB 0.232 28.971 28.738 0.002 0.000 0.947 399 Q HN 0.171 nan 8.270 nan 0.000 0.462 400 D N 0.663 121.063 120.400 0.000 0.000 2.103 400 D HA -0.100 4.540 4.640 -0.000 0.000 0.199 400 D C 1.647 177.942 176.300 -0.008 0.000 0.978 400 D CA 0.961 54.962 54.000 0.002 0.000 0.829 400 D CB 0.121 40.927 40.800 0.009 0.000 0.981 400 D HN 0.224 nan 8.370 nan 0.000 0.464 401 K N 0.527 120.921 120.400 -0.011 0.000 2.063 401 K HA -0.167 4.153 4.320 -0.000 0.000 0.208 401 K C 2.147 178.725 176.600 -0.036 0.000 1.048 401 K CA 0.551 56.824 56.287 -0.023 0.000 0.928 401 K CB -0.221 32.269 32.500 -0.017 0.000 0.713 401 K HN 0.034 nan 8.250 nan 0.000 0.442 402 L N 1.314 122.522 121.223 -0.025 0.000 1.989 402 L HA -0.204 4.136 4.340 -0.000 0.000 0.211 402 L C 1.983 178.830 176.870 -0.038 0.000 1.071 402 L CA 2.075 56.899 54.840 -0.027 0.000 0.749 402 L CB -0.905 41.145 42.059 -0.015 0.000 0.890 402 L HN 0.126 nan 8.230 nan 0.000 0.431 403 T N -1.488 113.047 114.554 -0.032 0.000 2.904 403 T HA -0.085 4.265 4.350 -0.000 0.000 0.267 403 T C 1.988 176.645 174.700 -0.071 0.000 1.059 403 T CA 1.246 63.326 62.100 -0.033 0.000 1.137 403 T CB -0.486 68.377 68.868 -0.008 0.000 0.879 403 T HN 0.209 nan 8.240 nan 0.000 0.467 404 V N 1.636 121.493 119.914 -0.094 0.000 2.295 404 V HA -0.176 3.944 4.120 -0.000 0.000 0.246 404 V C 2.593 178.519 176.094 -0.279 0.000 1.049 404 V CA 1.663 63.836 62.300 -0.212 0.000 1.024 404 V CB -0.615 31.109 31.823 -0.166 0.000 0.648 404 V HN 0.494 nan 8.190 nan 0.000 0.447 405 E N -0.236 119.862 120.200 -0.170 0.000 2.070 405 E HA -0.267 4.083 4.350 -0.000 0.000 0.197 405 E C 2.506 179.016 176.600 -0.151 0.000 1.004 405 E CA 1.546 57.861 56.400 -0.142 0.000 0.805 405 E CB -0.175 29.480 29.700 -0.077 0.000 0.744 405 E HN 0.501 nan 8.360 nan 0.000 0.451 406 R N -0.028 120.396 120.500 -0.127 0.000 2.081 406 R HA -0.093 4.247 4.340 -0.000 0.000 0.235 406 R C 2.403 178.618 176.300 -0.142 0.000 1.131 406 R CA 1.004 57.028 56.100 -0.126 0.000 0.960 406 R CB -0.317 29.942 30.300 -0.069 0.000 0.856 406 R HN 0.120 nan 8.270 nan 0.000 0.436 407 A N 1.379 124.111 122.820 -0.147 0.000 1.940 407 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 407 A C 2.112 179.612 177.584 -0.141 0.000 1.176 407 A CA 1.340 53.306 52.037 -0.119 0.000 0.631 407 A CB -0.372 18.546 19.000 -0.137 0.000 0.814 407 A HN 0.242 nan 8.150 nan 0.000 0.446 408 R N -0.466 119.866 120.500 -0.280 0.000 2.090 408 R HA -0.054 4.286 4.340 -0.000 0.000 0.228 408 R C 2.131 178.367 176.300 -0.106 0.000 1.110 408 R CA 1.491 57.483 56.100 -0.180 0.000 0.973 408 R CB -0.218 29.947 30.300 -0.225 0.000 0.869 408 R HN 0.510 nan 8.270 nan 0.000 0.440 409 K N 0.355 120.632 120.400 -0.204 0.000 2.103 409 K HA -0.045 4.275 4.320 -0.000 0.000 0.204 409 K C 1.974 178.319 176.600 -0.425 0.000 1.052 409 K CA 1.040 57.069 56.287 -0.429 0.000 0.945 409 K CB 0.000 32.054 32.500 -0.744 0.000 0.722 409 K HN 0.132 nan 8.250 nan 0.000 0.443 410 I N 1.249 121.707 120.570 -0.185 0.000 2.353 410 I HA -0.241 3.929 4.170 -0.000 0.000 0.248 410 I C 2.395 178.635 176.117 0.205 0.000 1.119 410 I CA 1.107 62.462 61.300 0.091 0.000 1.417 410 I CB -0.100 37.998 38.000 0.163 0.000 1.078 410 I HN 0.187 nan 8.210 nan 0.000 0.421 411 Q N 0.362 120.235 119.800 0.122 0.000 2.135 411 Q HA -0.210 4.130 4.340 -0.000 0.000 0.204 411 Q C 2.306 178.412 176.000 0.177 0.000 0.981 411 Q CA 1.499 57.390 55.803 0.146 0.000 0.856 411 Q CB -0.049 28.774 28.738 0.142 0.000 0.902 411 Q HN 0.447 nan 8.270 nan 0.000 0.425 412 R N -0.933 119.676 120.500 0.182 0.000 2.161 412 R HA -0.042 4.298 4.340 -0.000 0.000 0.213 412 R C 1.855 178.372 176.300 0.361 0.000 1.055 412 R CA 0.443 56.709 56.100 0.277 0.000 0.996 412 R CB -0.008 30.462 30.300 0.284 0.000 0.901 412 R HN 0.156 nan 8.270 nan 0.000 0.456 413 F N 1.242 121.260 119.950 0.113 0.000 2.325 413 F HA 0.004 4.531 4.527 -0.000 0.000 0.299 413 F C 1.572 177.540 175.800 0.280 0.000 1.090 413 F CA 0.879 58.952 58.000 0.121 0.000 1.392 413 F CB -0.111 38.778 39.000 -0.184 0.000 1.053 413 F HN -0.076 nan 8.300 nan 0.000 0.521 414 L N -0.387 121.053 121.223 0.362 0.000 2.141 414 L HA -0.102 4.238 4.340 -0.000 0.000 0.209 414 L C 1.499 178.435 176.870 0.110 0.000 1.094 414 L CA 0.750 55.710 54.840 0.200 0.000 0.763 414 L CB -0.913 41.225 42.059 0.131 0.000 0.908 414 L HN 0.114 nan 8.230 nan 0.000 0.437 415 S N -0.038 115.738 115.700 0.127 0.000 2.585 415 S HA 0.260 4.730 4.470 -0.000 0.000 0.273 415 S C -0.322 174.268 174.600 -0.017 0.000 1.339 415 S CA -0.431 57.799 58.200 0.051 0.000 1.028 415 S CB 1.705 64.962 63.200 0.094 0.000 0.906 415 S HN 0.309 nan 8.310 nan 0.000 0.528 416 Q N 1.349 121.077 119.800 -0.120 0.000 2.403 416 Q HA 0.348 4.688 4.340 -0.000 0.000 0.267 416 Q C -3.137 172.728 176.000 -0.225 0.000 0.991 416 Q CA -1.851 53.877 55.803 -0.124 0.000 0.906 416 Q CB 2.329 31.042 28.738 -0.042 0.000 1.422 416 Q HN 0.588 nan 8.270 nan 0.000 0.400 417 P HA 0.186 nan 4.420 nan 0.000 0.276 417 P C -0.905 176.449 177.300 0.090 0.000 1.253 417 P CA -0.081 62.973 63.100 -0.076 0.000 0.766 417 P CB 0.131 31.808 31.700 -0.038 0.000 0.845 418 F N 2.116 122.049 119.950 -0.029 0.000 2.399 418 F HA 0.290 4.817 4.527 -0.000 0.000 0.342 418 F C 1.919 177.702 175.800 -0.028 0.000 1.106 418 F CA -1.228 56.745 58.000 -0.044 0.000 1.196 418 F CB 0.108 39.072 39.000 -0.059 0.000 1.163 418 F HN 0.400 nan 8.300 nan 0.000 0.547 419 A N 2.868 125.780 122.820 0.153 0.000 1.917 419 A HA -0.144 4.176 4.320 -0.000 0.000 0.219 419 A C 1.927 179.544 177.584 0.054 0.000 1.182 419 A CA 2.145 54.218 52.037 0.059 0.000 0.633 419 A CB -0.956 18.049 19.000 0.007 0.000 0.819 419 A HN 0.541 nan 8.150 nan 0.000 0.448 420 V N -1.172 118.787 119.914 0.075 0.000 3.380 420 V HA 0.096 4.216 4.120 -0.000 0.000 0.268 420 V C 2.094 178.273 176.094 0.142 0.000 1.168 420 V CA 1.220 63.564 62.300 0.073 0.000 1.156 420 V CB -0.644 31.211 31.823 0.054 0.000 0.785 420 V HN 0.587 nan 8.190 nan 0.000 0.487 421 A N -0.661 122.277 122.820 0.197 0.000 2.465 421 A HA 0.215 4.535 4.320 -0.000 0.000 0.255 421 A C 1.850 179.503 177.584 0.116 0.000 1.274 421 A CA 0.074 52.288 52.037 0.294 0.000 0.920 421 A CB -0.142 19.013 19.000 0.259 0.000 1.033 421 A HN 0.470 nan 8.150 nan 0.000 0.516 422 E N 0.234 120.436 120.200 0.003 0.000 2.077 422 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 422 E C 1.893 178.413 176.600 -0.134 0.000 0.989 422 E CA 1.929 58.301 56.400 -0.047 0.000 0.800 422 E CB -0.180 29.492 29.700 -0.047 0.000 0.746 422 E HN 0.542 nan 8.360 nan 0.000 0.452 423 V N -1.024 118.710 119.914 -0.301 0.000 2.660 423 V HA -0.226 3.894 4.120 -0.000 0.000 0.257 423 V C 1.642 177.430 176.094 -0.510 0.000 1.088 423 V CA 1.553 63.566 62.300 -0.478 0.000 1.106 423 V CB -0.839 30.545 31.823 -0.731 0.000 0.686 423 V HN 0.183 nan 8.190 nan 0.000 0.481 424 F N 1.283 121.214 119.950 -0.033 0.000 2.678 424 F HA 0.184 4.711 4.527 -0.000 0.000 0.291 424 F C 2.413 178.189 175.800 -0.041 0.000 1.123 424 F CA 0.858 58.828 58.000 -0.049 0.000 1.395 424 F CB -0.621 38.315 39.000 -0.107 0.000 1.121 424 F HN 0.270 nan 8.300 nan 0.000 0.592 425 T N -4.051 110.561 114.554 0.097 0.000 3.046 425 T HA 0.404 4.754 4.350 -0.000 0.000 0.242 425 T C 1.956 176.679 174.700 0.038 0.000 1.018 425 T CA 0.712 62.849 62.100 0.062 0.000 1.131 425 T CB -0.195 68.689 68.868 0.026 0.000 0.904 425 T HN 0.309 nan 8.240 nan 0.000 0.459 426 G N 1.768 110.573 108.800 0.008 0.000 2.159 426 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.256 426 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.256 426 G C -0.038 174.862 174.900 0.000 0.000 0.977 426 G CA 0.244 45.345 45.100 0.002 0.000 0.652 426 G HN 0.699 nan 8.290 nan 0.000 0.531 427 I N 1.126 121.694 120.570 -0.004 0.000 2.406 427 I HA 0.378 4.548 4.170 -0.000 0.000 0.290 427 I C -2.303 173.808 176.117 -0.009 0.000 0.999 427 I CA -2.676 58.617 61.300 -0.011 0.000 1.124 427 I CB 2.211 40.193 38.000 -0.030 0.000 1.289 427 I HN -0.197 nan 8.210 nan 0.000 0.441 428 P HA 0.080 nan 4.420 nan 0.000 0.267 428 P C 0.261 177.564 177.300 0.006 0.000 1.205 428 P CA -0.157 62.941 63.100 -0.004 0.000 0.765 428 P CB 0.503 32.200 31.700 -0.006 0.000 0.828 429 G N 3.708 112.519 108.800 0.019 0.000 2.305 429 G HA2 0.109 4.069 3.960 -0.000 0.000 0.243 429 G HA3 0.109 4.069 3.960 -0.000 0.000 0.243 429 G C -0.263 174.660 174.900 0.038 0.000 1.288 429 G CA -0.302 44.825 45.100 0.045 0.000 0.901 429 G HN 0.281 nan 8.290 nan 0.000 0.516 430 K N 1.817 122.249 120.400 0.053 0.000 2.221 430 K HA 0.392 4.712 4.320 -0.000 0.000 0.258 430 K C -0.850 175.785 176.600 0.058 0.000 0.944 430 K CA -0.722 55.590 56.287 0.041 0.000 0.823 430 K CB 2.692 35.208 32.500 0.027 0.000 1.113 430 K HN 0.407 nan 8.250 nan 0.000 0.431 431 L N 2.980 124.224 121.223 0.034 0.000 2.325 431 L HA 0.383 4.723 4.340 -0.000 0.000 0.281 431 L C -1.126 175.757 176.870 0.021 0.000 1.004 431 L CA -0.863 53.992 54.840 0.025 0.000 0.823 431 L CB 1.452 43.513 42.059 0.005 0.000 1.236 431 L HN 0.219 nan 8.230 nan 0.000 0.415 432 V N 5.051 124.978 119.914 0.022 0.000 2.398 432 V HA 0.511 4.631 4.120 -0.000 0.000 0.286 432 V C 0.046 176.149 176.094 0.015 0.000 1.026 432 V CA -0.922 61.387 62.300 0.016 0.000 0.868 432 V CB 1.357 33.182 31.823 0.003 0.000 0.982 432 V HN 0.669 nan 8.190 nan 0.000 0.443 433 R N 2.925 123.437 120.500 0.020 0.000 2.543 433 R HA 0.183 4.523 4.340 -0.000 0.000 0.277 433 R C 1.277 177.594 176.300 0.028 0.000 1.074 433 R CA -0.326 55.788 56.100 0.024 0.000 1.076 433 R CB 0.373 30.689 30.300 0.027 0.000 0.993 433 R HN 0.771 nan 8.270 nan 0.000 0.459 434 L N 3.089 124.332 121.223 0.033 0.000 2.051 434 L HA -0.272 4.068 4.340 -0.000 0.000 0.214 434 L C 1.973 178.873 176.870 0.050 0.000 1.076 434 L CA 1.934 56.801 54.840 0.045 0.000 0.758 434 L CB -0.081 42.018 42.059 0.067 0.000 0.890 434 L HN 0.547 nan 8.230 nan 0.000 0.433 435 K N -0.544 119.889 120.400 0.055 0.000 2.147 435 K HA -0.159 4.161 4.320 -0.000 0.000 0.205 435 K C 1.700 178.333 176.600 0.054 0.000 1.049 435 K CA 1.476 57.797 56.287 0.057 0.000 0.936 435 K CB -0.193 32.339 32.500 0.054 0.000 0.722 435 K HN 0.507 nan 8.250 nan 0.000 0.446 436 D N 0.047 120.477 120.400 0.051 0.000 2.084 436 D HA -0.095 4.545 4.640 -0.000 0.000 0.196 436 D C 1.846 178.192 176.300 0.077 0.000 0.985 436 D CA 1.326 55.362 54.000 0.060 0.000 0.826 436 D CB -0.357 40.473 40.800 0.049 0.000 0.978 436 D HN 0.119 nan 8.370 nan 0.000 0.456 437 T N 1.307 115.898 114.554 0.063 0.000 2.665 437 T HA -0.133 4.217 4.350 -0.000 0.000 0.268 437 T C 2.310 177.102 174.700 0.152 0.000 1.035 437 T CA 1.167 63.330 62.100 0.105 0.000 1.151 437 T CB -0.511 68.374 68.868 0.028 0.000 0.862 437 T HN -0.030 nan 8.240 nan 0.000 0.438 438 V N 1.824 121.751 119.914 0.022 0.000 2.255 438 V HA -0.199 3.921 4.120 -0.000 0.000 0.247 438 V C 2.935 179.079 176.094 0.084 0.000 1.051 438 V CA 1.850 64.130 62.300 -0.034 0.000 1.018 438 V CB -1.333 30.436 31.823 -0.091 0.000 0.641 438 V HN 0.569 nan 8.190 nan 0.000 0.445 439 A N -0.366 122.511 122.820 0.096 0.000 1.898 439 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 439 A C 2.475 180.152 177.584 0.155 0.000 1.181 439 A CA 2.077 54.181 52.037 0.113 0.000 0.620 439 A CB -0.709 18.348 19.000 0.094 0.000 0.819 439 A HN 0.509 nan 8.150 nan 0.000 0.442 440 S N -0.576 115.228 115.700 0.174 0.000 2.353 440 S HA -0.150 4.320 4.470 -0.000 0.000 0.222 440 S C 1.588 176.311 174.600 0.204 0.000 1.035 440 S CA 1.678 59.997 58.200 0.197 0.000 1.025 440 S CB -0.587 62.756 63.200 0.239 0.000 0.902 440 S HN 0.549 nan 8.310 nan 0.000 0.440 441 F N 1.679 121.752 119.950 0.205 0.000 2.365 441 F HA 0.053 4.580 4.527 -0.000 0.000 0.300 441 F C 2.275 178.139 175.800 0.107 0.000 1.090 441 F CA 0.823 58.924 58.000 0.167 0.000 1.408 441 F CB -0.115 38.918 39.000 0.056 0.000 1.060 441 F HN 0.107 nan 8.300 nan 0.000 0.534 442 K N 0.491 121.035 120.400 0.240 0.000 2.062 442 K HA -0.093 4.227 4.320 -0.000 0.000 0.205 442 K C 2.285 178.972 176.600 0.146 0.000 1.051 442 K CA 1.059 57.441 56.287 0.158 0.000 0.941 442 K CB -0.212 32.359 32.500 0.118 0.000 0.719 442 K HN 0.174 nan 8.250 nan 0.000 0.440 443 A N 0.645 123.569 122.820 0.174 0.000 1.933 443 A HA -0.092 4.228 4.320 -0.000 0.000 0.218 443 A C 2.176 179.893 177.584 0.221 0.000 1.175 443 A CA 1.445 53.602 52.037 0.200 0.000 0.628 443 A CB -0.515 18.683 19.000 0.330 0.000 0.814 443 A HN 0.171 nan 8.150 nan 0.000 0.444 444 V N -0.140 119.901 119.914 0.210 0.000 2.427 444 V HA -0.206 3.914 4.120 -0.000 0.000 0.248 444 V C 2.505 178.655 176.094 0.093 0.000 1.051 444 V CA 1.756 64.141 62.300 0.143 0.000 1.048 444 V CB -0.626 31.181 31.823 -0.026 0.000 0.666 444 V HN 0.562 nan 8.190 nan 0.000 0.456 445 L N -0.391 120.898 121.223 0.110 0.000 2.141 445 L HA -0.158 4.182 4.340 -0.000 0.000 0.209 445 L C 2.445 179.349 176.870 0.056 0.000 1.094 445 L CA 1.424 56.315 54.840 0.084 0.000 0.763 445 L CB -0.422 41.698 42.059 0.102 0.000 0.908 445 L HN 0.371 nan 8.230 nan 0.000 0.437 446 E N -0.342 119.892 120.200 0.057 0.000 2.338 446 E HA -0.070 4.280 4.350 -0.000 0.000 0.197 446 E C 1.364 177.969 176.600 0.008 0.000 1.007 446 E CA 0.636 57.054 56.400 0.029 0.000 0.849 446 E CB 0.043 29.758 29.700 0.025 0.000 0.774 446 E HN 0.550 nan 8.360 nan 0.000 0.506 447 G N 1.145 109.953 108.800 0.015 0.000 2.144 447 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.218 447 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.218 447 G C 0.704 175.577 174.900 -0.044 0.000 0.988 447 G CA 0.291 45.390 45.100 -0.002 0.000 0.659 447 G HN 0.196 nan 8.290 nan 0.000 0.522 448 K N -0.833 119.509 120.400 -0.097 0.000 2.574 448 K HA 0.121 4.441 4.320 -0.000 0.000 0.193 448 K C 0.435 176.665 176.600 -0.618 0.000 1.035 448 K CA 0.874 56.957 56.287 -0.340 0.000 0.982 448 K CB -0.071 32.175 32.500 -0.423 0.000 0.795 448 K HN 0.594 nan 8.250 nan 0.000 0.491 449 Y N -0.998 119.307 120.300 0.009 0.000 2.712 449 Y HA 0.117 4.667 4.550 -0.000 0.000 0.250 449 Y C 0.326 176.258 175.900 0.053 0.000 1.101 449 Y CA -0.724 57.392 58.100 0.028 0.000 1.118 449 Y CB 0.529 39.023 38.460 0.056 0.000 1.203 449 Y HN -0.055 nan 8.280 nan 0.000 0.587 450 D N 0.490 120.949 120.400 0.097 0.000 2.224 450 D HA -0.137 4.503 4.640 -0.000 0.000 0.205 450 D C 1.787 178.128 176.300 0.069 0.000 0.965 450 D CA 1.189 55.231 54.000 0.070 0.000 0.852 450 D CB -0.004 40.809 40.800 0.021 0.000 0.947 450 D HN 0.463 nan 8.370 nan 0.000 0.494 451 N N 0.700 119.435 118.700 0.058 0.000 2.515 451 N HA -0.101 4.639 4.740 -0.000 0.000 0.185 451 N C 0.496 176.039 175.510 0.055 0.000 1.109 451 N CA 0.075 53.150 53.050 0.042 0.000 0.903 451 N CB -0.062 38.437 38.487 0.020 0.000 0.969 451 N HN 0.182 nan 8.380 nan 0.000 0.450 452 I N 2.798 123.424 120.570 0.094 0.000 2.416 452 I HA 0.187 4.357 4.170 -0.000 0.000 0.288 452 I C -1.841 174.344 176.117 0.114 0.000 1.051 452 I CA -2.026 59.310 61.300 0.061 0.000 1.375 452 I CB 1.166 39.165 38.000 -0.002 0.000 1.407 452 I HN -0.043 nan 8.210 nan 0.000 0.516 453 P HA 0.105 nan 4.420 nan 0.000 0.274 453 P C 0.128 177.534 177.300 0.175 0.000 1.246 453 P CA -0.244 62.913 63.100 0.095 0.000 0.795 453 P CB 0.881 32.614 31.700 0.055 0.000 1.006 454 E N -0.181 120.135 120.200 0.192 0.000 2.085 454 E HA -0.254 4.096 4.350 -0.000 0.000 0.194 454 E C 1.753 178.528 176.600 0.292 0.000 0.994 454 E CA 1.369 57.926 56.400 0.260 0.000 0.801 454 E CB -0.419 29.369 29.700 0.146 0.000 0.743 454 E HN 0.589 nan 8.360 nan 0.000 0.453 455 H N -0.347 118.789 119.070 0.111 0.000 2.521 455 H HA 0.059 4.615 4.556 -0.000 0.000 0.286 455 H C 1.627 177.007 175.328 0.087 0.000 1.034 455 H CA 1.042 57.159 56.048 0.114 0.000 1.278 455 H CB 0.086 29.888 29.762 0.066 0.000 1.386 455 H HN 0.165 nan 8.280 nan 0.000 0.567 456 A N -0.752 122.058 122.820 -0.017 0.000 2.121 456 A HA -0.051 4.269 4.320 -0.000 0.000 0.218 456 A C 1.378 178.703 177.584 -0.432 0.000 1.154 456 A CA 0.901 52.776 52.037 -0.270 0.000 0.679 456 A CB -0.590 18.150 19.000 -0.432 0.000 0.795 456 A HN 0.423 nan 8.150 nan 0.000 0.458 457 F N -2.823 117.078 119.950 -0.082 0.000 2.714 457 F HA 0.203 4.730 4.527 -0.000 0.000 0.294 457 F C 0.711 176.549 175.800 0.064 0.000 1.120 457 F CA -0.456 57.499 58.000 -0.076 0.000 1.398 457 F CB -0.134 38.799 39.000 -0.112 0.000 1.120 457 F HN 0.265 nan 8.300 nan 0.000 0.589 458 Y N 1.912 122.232 120.300 0.035 0.000 2.537 458 Y HA 0.293 4.843 4.550 -0.000 0.000 0.339 458 Y C 0.675 176.541 175.900 -0.057 0.000 1.066 458 Y CA -1.333 56.748 58.100 -0.032 0.000 1.357 458 Y CB 0.084 38.435 38.460 -0.182 0.000 1.175 458 Y HN 0.208 nan 8.280 nan 0.000 0.525 459 M N 4.951 124.278 119.600 -0.455 0.000 2.450 459 M HA -0.148 4.332 4.480 -0.000 0.000 0.192 459 M C -1.763 174.409 176.300 -0.214 0.000 0.753 459 M CA 1.157 56.168 55.300 -0.481 0.000 0.532 459 M CB -1.389 30.697 32.600 -0.856 0.000 1.263 459 M HN 0.465 nan 8.290 nan 0.000 0.885 460 V N -2.589 117.285 119.914 -0.067 0.000 3.165 460 V HA 1.086 5.206 4.120 -0.000 0.000 0.309 460 V C 0.861 176.984 176.094 0.049 0.000 1.267 460 V CA -0.427 61.868 62.300 -0.009 0.000 1.067 460 V CB 1.168 32.989 31.823 -0.002 0.000 1.082 460 V HN 0.460 nan 8.190 nan 0.000 0.451 461 G N -0.082 108.748 108.800 0.050 0.000 3.107 461 G HA2 0.518 4.478 3.960 -0.000 0.000 0.155 461 G HA3 0.518 4.478 3.960 -0.000 0.000 0.155 461 G C 0.593 175.553 174.900 0.101 0.000 1.875 461 G CA 0.078 45.209 45.100 0.052 0.000 1.004 461 G HN 1.395 nan 8.290 nan 0.000 0.480 462 G N -1.034 107.821 108.800 0.092 0.000 2.489 462 G HA2 0.308 4.268 3.960 -0.000 0.000 0.271 462 G HA3 0.308 4.268 3.960 -0.000 0.000 0.271 462 G C 0.866 175.922 174.900 0.259 0.000 1.427 462 G CA 0.032 45.218 45.100 0.143 0.000 1.057 462 G HN 0.344 nan 8.290 nan 0.000 0.532 463 I N -0.554 120.134 120.570 0.197 0.000 2.439 463 I HA 0.009 4.179 4.170 -0.000 0.000 0.251 463 I C 2.463 178.481 176.117 -0.166 0.000 1.139 463 I CA 1.247 62.523 61.300 -0.041 0.000 1.438 463 I CB -0.242 37.686 38.000 -0.120 0.000 1.085 463 I HN 0.636 nan 8.210 nan 0.000 0.427 464 E N -0.276 119.889 120.200 -0.059 0.000 2.358 464 E HA -0.159 4.191 4.350 -0.000 0.000 0.195 464 E C 1.419 177.977 176.600 -0.070 0.000 1.010 464 E CA 0.621 56.984 56.400 -0.062 0.000 0.856 464 E CB -0.005 29.686 29.700 -0.015 0.000 0.795 464 E HN 0.428 nan 8.360 nan 0.000 0.504 465 D N 0.056 120.427 120.400 -0.048 0.000 2.178 465 D HA -0.098 4.542 4.640 -0.000 0.000 0.202 465 D C 1.897 178.124 176.300 -0.121 0.000 0.974 465 D CA 0.580 54.550 54.000 -0.051 0.000 0.841 465 D CB 0.225 41.025 40.800 -0.001 0.000 0.953 465 D HN 0.009 nan 8.370 nan 0.000 0.478 466 V N 0.318 120.105 119.914 -0.212 0.000 2.270 466 V HA -0.200 3.920 4.120 -0.000 0.000 0.245 466 V C 2.705 178.590 176.094 -0.348 0.000 1.043 466 V CA 0.916 62.969 62.300 -0.412 0.000 1.014 466 V CB -0.602 30.754 31.823 -0.779 0.000 0.645 466 V HN 0.033 nan 8.190 nan 0.000 0.447 467 V N 0.639 120.380 119.914 -0.288 0.000 2.277 467 V HA -0.376 3.744 4.120 -0.000 0.000 0.253 467 V C 2.695 178.716 176.094 -0.122 0.000 1.067 467 V CA 2.538 64.734 62.300 -0.174 0.000 1.047 467 V CB -1.210 30.556 31.823 -0.095 0.000 0.649 467 V HN 0.592 nan 8.190 nan 0.000 0.447 468 A N -1.318 121.438 122.820 -0.106 0.000 1.968 468 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 468 A C 2.342 179.881 177.584 -0.076 0.000 1.169 468 A CA 1.633 53.627 52.037 -0.072 0.000 0.638 468 A CB -0.406 18.563 19.000 -0.053 0.000 0.812 468 A HN 0.475 nan 8.150 nan 0.000 0.446 469 K N -0.378 119.958 120.400 -0.107 0.000 2.217 469 K HA 0.017 4.337 4.320 -0.000 0.000 0.202 469 K C 1.922 178.471 176.600 -0.084 0.000 1.051 469 K CA 0.915 57.147 56.287 -0.092 0.000 0.952 469 K CB -0.149 32.280 32.500 -0.119 0.000 0.736 469 K HN 0.420 nan 8.250 nan 0.000 0.453 470 A N 0.765 123.513 122.820 -0.121 0.000 2.021 470 A HA -0.042 4.278 4.320 -0.000 0.000 0.216 470 A C 1.599 179.150 177.584 -0.055 0.000 1.163 470 A CA 0.677 52.656 52.037 -0.096 0.000 0.676 470 A CB -0.056 18.860 19.000 -0.140 0.000 0.818 470 A HN 0.301 nan 8.150 nan 0.000 0.453 471 E N -0.118 120.050 120.200 -0.053 0.000 2.152 471 E HA -0.144 4.206 4.350 -0.000 0.000 0.192 471 E C 1.913 178.500 176.600 -0.022 0.000 0.983 471 E CA 0.965 57.346 56.400 -0.032 0.000 0.818 471 E CB -0.083 29.598 29.700 -0.031 0.000 0.758 471 E HN 0.598 nan 8.360 nan 0.000 0.467 472 K N 1.105 121.492 120.400 -0.023 0.000 2.097 472 K HA -0.098 4.222 4.320 -0.000 0.000 0.205 472 K C 2.030 178.629 176.600 -0.001 0.000 1.050 472 K CA 0.750 57.031 56.287 -0.010 0.000 0.938 472 K CB 0.047 32.543 32.500 -0.008 0.000 0.718 472 K HN 0.100 nan 8.250 nan 0.000 0.442 473 L N 0.356 121.579 121.223 -0.000 0.000 2.376 473 L HA -0.023 4.317 4.340 -0.000 0.000 0.219 473 L C 2.074 178.943 176.870 -0.001 0.000 1.133 473 L CA 0.480 55.325 54.840 0.008 0.000 0.816 473 L CB -0.238 41.832 42.059 0.018 0.000 0.933 473 L HN 0.188 nan 8.230 nan 0.000 0.449 474 A N 0.200 123.016 122.820 -0.008 0.000 2.264 474 A HA 0.269 4.589 4.320 -0.000 0.000 0.207 474 A C 1.281 178.862 177.584 -0.006 0.000 1.196 474 A CA 0.748 52.780 52.037 -0.008 0.000 0.778 474 A CB -0.552 18.442 19.000 -0.011 0.000 0.779 474 A HN 0.321 nan 8.150 nan 0.000 0.483 475 A N 0.000 122.818 122.820 -0.004 0.000 2.254 475 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 475 A CA 0.000 52.035 52.037 -0.002 0.000 0.836 475 A CB 0.000 19.000 19.000 -0.001 0.000 0.831 475 A HN 0.000 nan 8.150 nan 0.000 0.486