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_D 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 0.000 174.603 174.600 0.006 0.000 1.055 6 S CA 0.000 58.203 58.200 0.004 0.000 1.107 6 S CB 0.000 63.203 63.200 0.005 0.000 0.593 7 T N 2.820 117.379 114.554 0.007 0.000 3.365 7 T HA 0.437 4.788 4.350 0.001 0.000 0.290 7 T C -3.046 171.662 174.700 0.014 0.000 0.941 7 T CA -0.779 61.327 62.100 0.010 0.000 1.522 7 T CB -0.091 68.781 68.868 0.007 0.000 0.865 7 T HN 0.339 nan 8.240 nan 0.000 0.572 8 P HA 0.484 nan 4.420 nan 0.000 0.282 8 P C -0.416 176.910 177.300 0.044 0.000 1.274 8 P CA -0.414 62.703 63.100 0.028 0.000 0.770 8 P CB 0.528 32.244 31.700 0.026 0.000 0.867 9 I N 2.350 122.955 120.570 0.058 0.000 2.371 9 I HA 0.189 4.359 4.170 0.001 0.000 0.290 9 I C 0.792 177.014 176.117 0.175 0.000 1.028 9 I CA 0.175 61.534 61.300 0.099 0.000 1.345 9 I CB 0.787 38.827 38.000 0.067 0.000 1.407 9 I HN 0.263 nan 8.210 nan 0.000 0.501 10 T N 4.242 118.898 114.554 0.169 0.000 2.925 10 T HA 0.750 5.100 4.350 0.001 0.000 0.285 10 T C 0.164 174.878 174.700 0.024 0.000 1.021 10 T CA -0.682 61.482 62.100 0.106 0.000 1.042 10 T CB 1.855 70.743 68.868 0.034 0.000 1.037 10 T HN 0.833 nan 8.240 nan 0.000 0.481 11 G N 0.935 109.572 108.800 -0.271 0.000 2.725 11 G HA2 0.694 4.654 3.960 0.001 0.000 0.288 11 G HA3 0.694 4.654 3.960 0.001 0.000 0.288 11 G C -1.762 172.889 174.900 -0.415 0.000 1.399 11 G CA -0.881 43.756 45.100 -0.772 0.000 0.859 11 G HN 0.545 nan 8.290 nan 0.000 0.479 12 K N 0.108 120.294 120.400 -0.356 0.000 2.345 12 K HA 0.508 4.828 4.320 0.001 0.000 0.255 12 K C -0.496 176.013 176.600 -0.152 0.000 0.934 12 K CA -0.712 55.465 56.287 -0.182 0.000 0.801 12 K CB 2.823 35.257 32.500 -0.111 0.000 1.137 12 K HN 0.247 nan 8.250 nan 0.000 0.424 13 V N 3.243 123.094 119.914 -0.105 0.000 2.509 13 V HA -0.087 4.033 4.120 0.001 0.000 0.297 13 V C 1.451 177.516 176.094 -0.049 0.000 1.014 13 V CA 0.917 63.179 62.300 -0.064 0.000 1.127 13 V CB 0.434 32.231 31.823 -0.043 0.000 0.925 13 V HN 1.062 nan 8.190 nan 0.000 0.480 14 T N 1.585 116.121 114.554 -0.030 0.000 3.000 14 T HA 0.528 4.879 4.350 0.001 0.000 0.248 14 T C 0.456 175.146 174.700 -0.016 0.000 1.034 14 T CA 0.499 62.583 62.100 -0.026 0.000 1.060 14 T CB 0.512 69.371 68.868 -0.015 0.000 0.983 14 T HN 0.945 nan 8.240 nan 0.000 0.482 15 A N 0.397 123.213 122.820 -0.006 0.000 2.515 15 A HA 0.726 5.046 4.320 0.001 0.000 0.298 15 A C -1.505 176.079 177.584 -0.000 0.000 1.059 15 A CA -0.712 51.323 52.037 -0.003 0.000 0.698 15 A CB 2.083 21.085 19.000 0.004 0.000 1.289 15 A HN 0.319 nan 8.150 nan 0.000 0.404 16 V N 2.561 122.474 119.914 -0.002 0.000 2.439 16 V HA 0.377 4.497 4.120 0.001 0.000 0.277 16 V C -1.057 175.037 176.094 0.000 0.000 1.008 16 V CA 0.115 62.415 62.300 0.000 0.000 0.846 16 V CB 0.733 32.554 31.823 -0.003 0.000 1.031 16 V HN 0.665 nan 8.190 nan 0.000 0.441 17 I N 4.275 124.846 120.570 0.002 0.000 2.420 17 I HA 0.701 4.872 4.170 0.001 0.000 0.282 17 I C 1.130 177.248 176.117 0.001 0.000 1.019 17 I CA 0.056 61.357 61.300 0.001 0.000 1.130 17 I CB 1.337 39.338 38.000 0.002 0.000 1.262 17 I HN 0.735 nan 8.210 nan 0.000 0.454 18 G N 4.945 113.745 108.800 -0.001 0.000 2.596 18 G HA2 -0.369 3.591 3.960 0.001 0.000 0.304 18 G HA3 -0.369 3.591 3.960 0.001 0.000 0.304 18 G C 0.862 175.762 174.900 0.000 0.000 1.189 18 G CA 0.567 45.666 45.100 -0.002 0.000 0.986 18 G HN 0.840 nan 8.290 nan 0.000 0.548 19 A N -0.516 122.304 122.820 0.000 0.000 2.238 19 A HA 0.573 4.894 4.320 0.001 0.000 0.210 19 A C 1.011 178.600 177.584 0.008 0.000 1.179 19 A CA 0.740 52.779 52.037 0.003 0.000 0.827 19 A CB 0.018 19.018 19.000 -0.000 0.000 0.856 19 A HN 0.596 nan 8.150 nan 0.000 0.488 20 I N 1.233 121.808 120.570 0.007 0.000 2.365 20 I HA 0.336 4.506 4.170 0.001 0.000 0.291 20 I C -0.696 175.430 176.117 0.015 0.000 1.004 20 I CA -0.347 60.960 61.300 0.013 0.000 1.311 20 I CB 1.134 39.141 38.000 0.011 0.000 1.401 20 I HN -0.142 nan 8.210 nan 0.000 0.491 21 V N 5.649 125.576 119.914 0.022 0.000 2.525 21 V HA 0.317 4.438 4.120 0.001 0.000 0.299 21 V C -0.561 175.553 176.094 0.033 0.000 1.034 21 V CA -0.881 61.433 62.300 0.022 0.000 0.863 21 V CB 2.230 34.066 31.823 0.021 0.000 0.999 21 V HN 0.574 nan 8.190 nan 0.000 0.423 22 D N 3.330 123.747 120.400 0.028 0.000 2.210 22 D HA 0.602 5.242 4.640 0.001 0.000 0.249 22 D C -0.467 175.850 176.300 0.029 0.000 1.078 22 D CA 0.020 54.044 54.000 0.039 0.000 0.875 22 D CB 2.199 43.020 40.800 0.035 0.000 1.175 22 D HN 0.282 nan 8.370 nan 0.000 0.440 23 V N 2.223 122.166 119.914 0.049 0.000 2.686 23 V HA 0.181 4.302 4.120 0.001 0.000 0.306 23 V C -0.296 175.776 176.094 -0.037 0.000 1.065 23 V CA -0.915 61.368 62.300 -0.028 0.000 0.894 23 V CB 2.162 33.962 31.823 -0.039 0.000 1.004 23 V HN 0.564 nan 8.190 nan 0.000 0.424 24 H N 3.810 122.723 119.070 -0.260 0.000 2.458 24 H HA 0.688 5.245 4.556 0.001 0.000 0.330 24 H C -1.751 173.324 175.328 -0.422 0.000 1.111 24 H CA -0.219 55.718 56.048 -0.186 0.000 1.245 24 H CB 1.470 31.161 29.762 -0.117 0.000 1.456 24 H HN 0.508 nan 8.280 nan 0.000 0.488 25 F N 1.133 120.797 119.950 -0.477 0.000 2.664 25 F HA 0.244 4.771 4.527 0.001 0.000 0.329 25 F C 0.361 175.946 175.800 -0.358 0.000 1.090 25 F CA -0.962 56.872 58.000 -0.276 0.000 0.978 25 F CB 1.019 39.897 39.000 -0.204 0.000 1.378 25 F HN 0.439 nan 8.300 nan 0.000 0.495 26 E N -0.212 120.029 120.200 0.068 0.000 2.322 26 E HA 0.151 4.502 4.350 0.001 0.000 0.257 26 E C -0.793 175.803 176.600 -0.005 0.000 1.155 26 E CA -0.886 55.531 56.400 0.027 0.000 0.936 26 E CB 0.386 30.121 29.700 0.059 0.000 1.130 26 E HN 0.409 nan 8.360 nan 0.000 0.465 27 Q N 1.118 120.919 119.800 0.003 0.000 2.804 27 Q HA -0.121 4.219 4.340 0.001 0.000 0.334 27 Q C -0.285 175.702 176.000 -0.022 0.000 1.105 27 Q CA 0.936 56.734 55.803 -0.008 0.000 1.128 27 Q CB -0.786 27.955 28.738 0.005 0.000 0.972 27 Q HN 0.667 nan 8.270 nan 0.000 0.403 28 S N 1.798 117.473 115.700 -0.042 0.000 3.420 28 S HA -0.315 4.155 4.470 0.001 0.000 0.367 28 S C 0.015 174.578 174.600 -0.061 0.000 1.063 28 S CA 1.496 59.665 58.200 -0.052 0.000 1.073 28 S CB -2.069 61.115 63.200 -0.027 0.000 0.905 28 S HN 0.895 nan 8.310 nan 0.000 0.485 29 E N -0.127 120.029 120.200 -0.073 0.000 2.830 29 E HA 0.569 4.920 4.350 0.001 0.000 0.225 29 E C -0.007 176.466 176.600 -0.212 0.000 1.109 29 E CA -0.856 55.489 56.400 -0.091 0.000 1.392 29 E CB 0.141 29.820 29.700 -0.035 0.000 1.349 29 E HN 0.680 nan 8.360 nan 0.000 0.433 30 L N 2.267 123.325 121.223 -0.276 0.000 2.371 30 L HA 0.346 4.687 4.340 0.001 0.000 0.272 30 L C -1.765 174.852 176.870 -0.422 0.000 1.124 30 L CA -2.232 52.299 54.840 -0.515 0.000 0.816 30 L CB 0.283 42.012 42.059 -0.550 0.000 1.129 30 L HN 0.187 nan 8.230 nan 0.000 0.448 31 P HA 0.115 nan 4.420 nan 0.000 0.271 31 P C -0.509 176.778 177.300 -0.022 0.000 1.220 31 P CA -0.383 62.546 63.100 -0.285 0.000 0.768 31 P CB 0.937 32.433 31.700 -0.339 0.000 0.848 32 A N 4.651 127.467 122.820 -0.006 0.000 2.547 32 A HA 0.055 4.376 4.320 0.001 0.000 0.233 32 A C 0.682 178.253 177.584 -0.021 0.000 1.067 32 A CA -0.194 51.844 52.037 0.001 0.000 0.763 32 A CB -0.521 18.450 19.000 -0.048 0.000 1.007 32 A HN 0.582 nan 8.150 nan 0.000 0.506 33 I N 1.157 121.653 120.570 -0.123 0.000 2.710 33 I HA 0.003 4.174 4.170 0.001 0.000 0.286 33 I C 0.807 176.844 176.117 -0.133 0.000 1.181 33 I CA 0.828 62.052 61.300 -0.127 0.000 1.430 33 I CB 0.207 38.087 38.000 -0.200 0.000 1.367 33 I HN 0.723 nan 8.210 nan 0.000 0.577 34 L N 2.543 123.685 121.223 -0.136 0.000 3.573 34 L HA -0.206 4.135 4.340 0.001 0.000 0.429 34 L C -0.061 176.743 176.870 -0.109 0.000 0.772 34 L CA -0.115 54.592 54.840 -0.223 0.000 2.328 34 L CB -1.452 40.368 42.059 -0.398 0.000 1.306 34 L HN 0.657 nan 8.230 nan 0.000 0.574 35 N N 1.343 120.010 118.700 -0.054 0.000 2.518 35 N HA 0.501 5.241 4.740 0.001 0.000 0.266 35 N C 0.298 175.816 175.510 0.012 0.000 1.196 35 N CA 0.850 53.889 53.050 -0.018 0.000 0.947 35 N CB 1.069 39.538 38.487 -0.031 0.000 1.098 35 N HN 0.293 nan 8.380 nan 0.000 0.450 36 A N 2.556 125.393 122.820 0.028 0.000 2.328 36 A HA 0.536 4.857 4.320 0.001 0.000 0.284 36 A C -0.331 177.280 177.584 0.045 0.000 1.160 36 A CA -0.437 51.626 52.037 0.042 0.000 0.818 36 A CB -0.024 19.002 19.000 0.043 0.000 1.087 36 A HN 0.628 nan 8.150 nan 0.000 0.504 37 L N 2.002 123.262 121.223 0.061 0.000 2.346 37 L HA 0.566 4.906 4.340 0.001 0.000 0.274 37 L C 0.096 177.004 176.870 0.062 0.000 1.007 37 L CA -0.468 54.421 54.840 0.082 0.000 0.818 37 L CB 1.825 43.963 42.059 0.132 0.000 1.284 37 L HN 0.743 nan 8.230 nan 0.000 0.424 38 E N 2.198 122.432 120.200 0.057 0.000 2.221 38 E HA 0.684 5.034 4.350 0.001 0.000 0.268 38 E C -1.229 175.391 176.600 0.033 0.000 0.933 38 E CA -0.663 55.760 56.400 0.039 0.000 0.809 38 E CB 2.962 32.680 29.700 0.031 0.000 1.190 38 E HN 0.397 nan 8.360 nan 0.000 0.406 39 I N 2.011 122.595 120.570 0.022 0.000 2.533 39 I HA 0.255 4.426 4.170 0.001 0.000 0.290 39 I C -0.402 175.721 176.117 0.010 0.000 1.056 39 I CA -0.742 60.566 61.300 0.013 0.000 1.057 39 I CB 1.804 39.810 38.000 0.009 0.000 1.240 39 I HN 0.178 nan 8.210 nan 0.000 0.423 40 K N 4.214 124.617 120.400 0.007 0.000 2.205 40 K HA 0.491 4.812 4.320 0.001 0.000 0.279 40 K C -0.217 176.384 176.600 0.002 0.000 1.027 40 K CA -0.169 56.121 56.287 0.005 0.000 0.932 40 K CB 1.477 33.980 32.500 0.004 0.000 1.032 40 K HN 0.778 nan 8.250 nan 0.000 0.466 41 T N -0.486 114.069 114.554 0.002 0.000 2.905 41 T HA 0.396 4.747 4.350 0.001 0.000 0.283 41 T C -1.557 173.143 174.700 0.000 0.000 1.031 41 T CA -1.414 60.686 62.100 0.001 0.000 1.002 41 T CB 1.228 70.097 68.868 0.002 0.000 1.200 41 T HN 0.343 nan 8.240 nan 0.000 0.560 42 P HA -0.090 nan 4.420 nan 0.000 0.216 42 P C 1.204 178.504 177.300 -0.000 0.000 1.150 42 P CA 1.216 64.315 63.100 -0.001 0.000 0.837 42 P CB 0.290 31.989 31.700 -0.001 0.000 0.786 43 Q N -0.732 119.068 119.800 0.000 0.000 2.080 43 Q HA 0.208 4.548 4.340 0.001 0.000 0.195 43 Q C 1.788 177.789 176.000 0.001 0.000 0.989 43 Q CA 1.234 57.037 55.803 0.001 0.000 0.838 43 Q CB -0.361 28.377 28.738 0.001 0.000 0.915 43 Q HN 0.203 nan 8.270 nan 0.000 0.482 44 G N 0.701 109.503 108.800 0.002 0.000 3.387 44 G HA2 0.332 4.293 3.960 0.001 0.000 0.194 44 G HA3 0.332 4.293 3.960 0.001 0.000 0.194 44 G C -0.956 173.946 174.900 0.004 0.000 1.417 44 G CA -0.351 44.751 45.100 0.003 0.000 0.777 44 G HN 0.219 nan 8.290 nan 0.000 0.721 45 K N -1.090 119.313 120.400 0.006 0.000 2.400 45 K HA 0.778 5.099 4.320 0.001 0.000 0.246 45 K C -1.855 174.750 176.600 0.010 0.000 0.995 45 K CA -0.862 55.430 56.287 0.008 0.000 0.840 45 K CB 2.506 35.012 32.500 0.009 0.000 1.293 45 K HN 0.383 nan 8.250 nan 0.000 0.445 46 L N 1.734 122.964 121.223 0.012 0.000 2.325 46 L HA 0.388 4.729 4.340 0.001 0.000 0.281 46 L C -1.507 175.376 176.870 0.021 0.000 1.004 46 L CA -0.572 54.277 54.840 0.015 0.000 0.823 46 L CB 1.947 44.013 42.059 0.012 0.000 1.236 46 L HN 0.559 nan 8.230 nan 0.000 0.415 47 V N 6.331 126.259 119.914 0.023 0.000 2.439 47 V HA 0.441 4.561 4.120 0.001 0.000 0.282 47 V C 0.121 176.237 176.094 0.035 0.000 1.039 47 V CA -0.429 61.890 62.300 0.030 0.000 0.913 47 V CB 1.255 33.096 31.823 0.029 0.000 0.983 47 V HN 0.628 nan 8.190 nan 0.000 0.460 48 L N 3.877 125.127 121.223 0.044 0.000 2.334 48 L HA 0.655 4.996 4.340 0.001 0.000 0.273 48 L C -0.002 176.902 176.870 0.056 0.000 1.013 48 L CA -0.443 54.426 54.840 0.049 0.000 0.816 48 L CB 1.867 43.959 42.059 0.055 0.000 1.278 48 L HN 0.591 nan 8.230 nan 0.000 0.431 49 E N 1.590 121.823 120.200 0.055 0.000 2.158 49 E HA 0.339 4.689 4.350 0.001 0.000 0.271 49 E C -1.210 175.417 176.600 0.044 0.000 0.911 49 E CA -0.795 55.637 56.400 0.053 0.000 0.767 49 E CB 2.126 31.868 29.700 0.070 0.000 1.120 49 E HN 0.349 nan 8.360 nan 0.000 0.405 50 V N 4.112 124.047 119.914 0.036 0.000 2.493 50 V HA 0.046 4.167 4.120 0.001 0.000 0.292 50 V C 0.951 177.054 176.094 0.015 0.000 1.016 50 V CA 0.897 63.222 62.300 0.042 0.000 1.097 50 V CB 0.649 32.497 31.823 0.041 0.000 0.947 50 V HN 0.852 nan 8.190 nan 0.000 0.479 51 A N 4.400 127.240 122.820 0.032 0.000 1.984 51 A HA 0.313 4.633 4.320 0.001 0.000 0.203 51 A C 0.656 178.245 177.584 0.008 0.000 1.292 51 A CA 0.194 52.237 52.037 0.009 0.000 0.782 51 A CB 0.374 19.384 19.000 0.017 0.000 0.924 51 A HN 0.804 nan 8.150 nan 0.000 0.475 52 Q N -0.803 119.030 119.800 0.055 0.000 2.377 52 Q HA 0.411 4.751 4.340 0.001 0.000 0.279 52 Q C -1.673 174.446 176.000 0.197 0.000 1.049 52 Q CA -0.620 55.223 55.803 0.067 0.000 0.825 52 Q CB 1.441 30.208 28.738 0.048 0.000 1.401 52 Q HN 0.559 nan 8.270 nan 0.000 0.404 53 H N 1.839 120.903 119.070 -0.011 0.000 2.761 53 H HA 0.186 4.742 4.556 0.001 0.000 0.284 53 H C 0.560 175.891 175.328 0.005 0.000 1.105 53 H CA -0.280 55.764 56.048 -0.006 0.000 1.352 53 H CB 0.959 30.707 29.762 -0.023 0.000 1.423 53 H HN 0.479 nan 8.280 nan 0.000 0.464 54 L N 2.927 124.216 121.223 0.111 0.000 2.395 54 L HA 0.108 4.449 4.340 0.001 0.000 0.218 54 L C 1.157 178.062 176.870 0.058 0.000 1.130 54 L CA 0.628 55.511 54.840 0.072 0.000 0.826 54 L CB 0.027 42.121 42.059 0.059 0.000 0.941 54 L HN 0.865 nan 8.230 nan 0.000 0.451 55 G N -0.175 108.656 108.800 0.053 0.000 2.617 55 G HA2 -0.112 3.848 3.960 0.001 0.000 0.686 55 G HA3 -0.112 3.848 3.960 0.001 0.000 0.686 55 G C -0.091 174.829 174.900 0.033 0.000 1.214 55 G CA -0.587 44.537 45.100 0.039 0.000 0.796 55 G HN 0.203 nan 8.290 nan 0.000 0.654 56 E N 0.441 120.657 120.200 0.028 0.000 2.297 56 E HA -0.248 4.103 4.350 0.001 0.000 0.228 56 E C 0.994 177.611 176.600 0.028 0.000 1.213 56 E CA 0.788 57.213 56.400 0.042 0.000 0.712 56 E CB -0.896 28.844 29.700 0.067 0.000 1.202 56 E HN 1.010 nan 8.360 nan 0.000 0.376 57 N N -1.620 117.047 118.700 -0.054 0.000 2.713 57 N HA -0.167 4.573 4.740 0.001 0.000 0.251 57 N C -0.549 174.849 175.510 -0.187 0.000 1.117 57 N CA 1.923 54.870 53.050 -0.172 0.000 0.770 57 N CB -1.268 37.062 38.487 -0.262 0.000 1.137 57 N HN 0.315 nan 8.380 nan 0.000 0.566 58 T N 0.135 114.674 114.554 -0.026 0.000 2.875 58 T HA 0.574 4.924 4.350 0.001 0.000 0.284 58 T C 0.710 175.429 174.700 0.032 0.000 0.995 58 T CA -0.715 61.416 62.100 0.052 0.000 1.060 58 T CB 2.616 71.549 68.868 0.109 0.000 0.967 58 T HN 0.155 nan 8.240 nan 0.000 0.476 59 V N 1.239 121.206 119.914 0.090 0.000 2.628 59 V HA 0.736 4.857 4.120 0.001 0.000 0.306 59 V C -0.280 175.881 176.094 0.110 0.000 1.045 59 V CA -1.389 60.965 62.300 0.090 0.000 0.905 59 V CB 1.674 33.549 31.823 0.087 0.000 0.997 59 V HN 0.872 nan 8.190 nan 0.000 0.436 60 R N 2.686 123.245 120.500 0.097 0.000 2.368 60 R HA 0.742 5.083 4.340 0.001 0.000 0.302 60 R C -0.097 176.247 176.300 0.074 0.000 1.002 60 R CA 0.408 56.553 56.100 0.075 0.000 0.929 60 R CB 1.437 31.771 30.300 0.057 0.000 1.073 60 R HN 1.175 nan 8.270 nan 0.000 0.464 61 T N 1.179 115.772 114.554 0.064 0.000 2.901 61 T HA 0.510 4.861 4.350 0.001 0.000 0.293 61 T C -0.215 174.510 174.700 0.042 0.000 1.084 61 T CA -0.863 61.273 62.100 0.059 0.000 1.008 61 T CB 1.130 70.042 68.868 0.074 0.000 1.170 61 T HN 0.437 nan 8.240 nan 0.000 0.509 62 I N 1.993 122.586 120.570 0.039 0.000 2.354 62 I HA 0.572 4.742 4.170 0.001 0.000 0.292 62 I C 0.874 177.010 176.117 0.032 0.000 0.989 62 I CA -1.072 60.246 61.300 0.030 0.000 1.188 62 I CB 1.522 39.539 38.000 0.028 0.000 1.342 62 I HN 0.987 nan 8.210 nan 0.000 0.457 63 A N 7.109 129.943 122.820 0.024 0.000 2.462 63 A HA 0.292 4.612 4.320 0.001 0.000 0.243 63 A C 0.792 178.390 177.584 0.023 0.000 1.076 63 A CA 0.002 52.053 52.037 0.023 0.000 0.773 63 A CB 0.332 19.341 19.000 0.016 0.000 1.010 63 A HN 0.761 nan 8.150 nan 0.000 0.493 64 M N 0.615 120.230 119.600 0.025 0.000 2.371 64 M HA 0.203 4.684 4.480 0.001 0.000 0.246 64 M C -0.058 176.254 176.300 0.019 0.000 1.103 64 M CA 0.451 55.766 55.300 0.025 0.000 1.010 64 M CB -0.747 31.870 32.600 0.029 0.000 1.457 64 M HN 0.785 nan 8.290 nan 0.000 0.486 65 D N -0.881 119.529 120.400 0.016 0.000 2.798 65 D HA 0.532 5.173 4.640 0.001 0.000 0.308 65 D C -0.333 175.972 176.300 0.009 0.000 1.187 65 D CA -0.191 53.816 54.000 0.012 0.000 1.033 65 D CB 1.380 42.187 40.800 0.011 0.000 1.445 65 D HN 0.108 nan 8.370 nan 0.000 0.550 66 G N -1.169 107.635 108.800 0.006 0.000 2.554 66 G HA2 0.323 4.284 3.960 0.001 0.000 0.238 66 G HA3 0.323 4.284 3.960 0.001 0.000 0.238 66 G C 0.773 175.675 174.900 0.004 0.000 1.259 66 G CA 0.579 45.682 45.100 0.004 0.000 0.843 66 G HN 0.417 nan 8.290 nan 0.000 0.582 67 T N -1.873 112.682 114.554 0.003 0.000 3.054 67 T HA 0.153 4.503 4.350 0.001 0.000 0.255 67 T C 0.765 175.465 174.700 0.000 0.000 1.035 67 T CA 0.082 62.183 62.100 0.002 0.000 0.941 67 T CB 0.021 68.891 68.868 0.003 0.000 1.026 67 T HN 0.671 nan 8.240 nan 0.000 0.533 68 E N 2.051 122.250 120.200 -0.000 0.000 2.529 68 E HA 0.258 4.609 4.350 0.001 0.000 0.259 68 E C 1.147 177.746 176.600 -0.002 0.000 0.966 68 E CA 0.867 57.266 56.400 -0.002 0.000 0.937 68 E CB 0.027 29.726 29.700 -0.002 0.000 0.923 68 E HN 0.509 nan 8.360 nan 0.000 0.468 69 G N 2.960 111.759 108.800 -0.003 0.000 2.213 69 G HA2 -0.273 3.688 3.960 0.001 0.000 0.236 69 G HA3 -0.273 3.688 3.960 0.001 0.000 0.236 69 G C 0.293 175.190 174.900 -0.005 0.000 0.991 69 G CA 0.062 45.160 45.100 -0.004 0.000 0.629 69 G HN 0.510 nan 8.290 nan 0.000 0.517 70 L N 1.310 122.530 121.223 -0.005 0.000 2.453 70 L HA 0.457 4.798 4.340 0.001 0.000 0.272 70 L C 0.434 177.298 176.870 -0.009 0.000 1.182 70 L CA -0.131 54.705 54.840 -0.006 0.000 0.858 70 L CB 1.186 43.242 42.059 -0.005 0.000 1.120 70 L HN 0.032 nan 8.230 nan 0.000 0.474 71 V N 4.510 124.416 119.914 -0.013 0.000 2.540 71 V HA 0.358 4.478 4.120 0.001 0.000 0.302 71 V C 0.116 176.198 176.094 -0.021 0.000 1.035 71 V CA -0.899 61.391 62.300 -0.016 0.000 0.873 71 V CB 1.856 33.670 31.823 -0.016 0.000 0.992 71 V HN 0.671 nan 8.190 nan 0.000 0.428 72 R N 2.686 123.173 120.500 -0.023 0.000 2.484 72 R HA 0.400 4.740 4.340 0.001 0.000 0.293 72 R C 1.247 177.526 176.300 -0.036 0.000 1.023 72 R CA 1.073 57.156 56.100 -0.029 0.000 1.037 72 R CB 0.138 30.421 30.300 -0.028 0.000 0.951 72 R HN 1.204 nan 8.270 nan 0.000 0.418 73 G N 2.071 110.844 108.800 -0.046 0.000 2.159 73 G HA2 -0.287 3.673 3.960 0.001 0.000 0.227 73 G HA3 -0.287 3.673 3.960 0.001 0.000 0.227 73 G C 0.042 174.913 174.900 -0.048 0.000 0.986 73 G CA -0.071 44.998 45.100 -0.052 0.000 0.651 73 G HN 0.599 nan 8.290 nan 0.000 0.523 74 E N 0.823 120.997 120.200 -0.043 0.000 2.383 74 E HA 0.467 4.817 4.350 0.001 0.000 0.264 74 E C 0.615 177.185 176.600 -0.051 0.000 1.050 74 E CA -0.370 56.007 56.400 -0.038 0.000 0.896 74 E CB 0.359 30.042 29.700 -0.028 0.000 0.982 74 E HN 0.280 nan 8.360 nan 0.000 0.424 75 K N 1.914 122.289 120.400 -0.042 0.000 2.368 75 K HA 0.167 4.487 4.320 0.001 0.000 0.282 75 K C -1.103 175.472 176.600 -0.042 0.000 1.035 75 K CA -0.252 56.007 56.287 -0.048 0.000 0.973 75 K CB 0.960 33.443 32.500 -0.028 0.000 0.957 75 K HN 0.220 nan 8.250 nan 0.000 0.474 76 V N 5.155 125.031 119.914 -0.064 0.000 2.409 76 V HA 0.233 4.353 4.120 0.001 0.000 0.291 76 V C -0.693 175.423 176.094 0.037 0.000 1.020 76 V CA -0.992 61.294 62.300 -0.023 0.000 0.848 76 V CB 1.410 33.201 31.823 -0.053 0.000 0.990 76 V HN 0.550 nan 8.190 nan 0.000 0.430 77 L N 4.256 125.519 121.223 0.066 0.000 2.275 77 L HA 0.608 4.948 4.340 0.001 0.000 0.288 77 L C -0.174 176.770 176.870 0.122 0.000 1.046 77 L CA 0.111 55.005 54.840 0.091 0.000 0.805 77 L CB 1.302 43.392 42.059 0.053 0.000 1.193 77 L HN 0.751 nan 8.230 nan 0.000 0.426 78 D N 2.176 122.667 120.400 0.151 0.000 2.316 78 D HA 0.142 4.782 4.640 0.001 0.000 0.245 78 D C 1.056 177.382 176.300 0.044 0.000 1.171 78 D CA 0.278 54.337 54.000 0.099 0.000 0.856 78 D CB 1.343 42.174 40.800 0.052 0.000 1.090 78 D HN 0.714 nan 8.370 nan 0.000 0.476 79 T N 0.972 115.545 114.554 0.031 0.000 3.113 79 T HA 0.194 4.544 4.350 0.001 0.000 0.256 79 T C 1.473 176.176 174.700 0.005 0.000 1.131 79 T CA 0.199 62.310 62.100 0.019 0.000 1.074 79 T CB -0.381 68.499 68.868 0.020 0.000 0.944 79 T HN 0.801 nan 8.240 nan 0.000 0.516 80 G N 0.171 108.966 108.800 -0.007 0.000 2.289 80 G HA2 0.327 4.288 3.960 0.001 0.000 0.280 80 G HA3 0.327 4.288 3.960 0.001 0.000 0.280 80 G C 0.371 175.263 174.900 -0.013 0.000 1.089 80 G CA -0.290 44.799 45.100 -0.018 0.000 0.939 80 G HN 1.675 nan 8.290 nan 0.000 0.499 81 G N -1.388 107.406 108.800 -0.010 0.000 2.339 81 G HA2 0.642 4.602 3.960 0.001 0.000 0.302 81 G HA3 0.642 4.602 3.960 0.001 0.000 0.302 81 G C -3.190 171.717 174.900 0.012 0.000 1.425 81 G CA 0.035 45.134 45.100 -0.002 0.000 0.899 81 G HN 0.431 nan 8.290 nan 0.000 0.619 82 P HA 0.445 nan 4.420 nan 0.000 0.274 82 P C 0.405 177.750 177.300 0.075 0.000 1.256 82 P CA -0.599 62.547 63.100 0.078 0.000 0.795 82 P CB 0.538 32.329 31.700 0.152 0.000 1.038 83 I N 0.291 120.920 120.570 0.098 0.000 2.828 83 I HA -0.091 4.079 4.170 0.001 0.000 0.292 83 I C 1.004 177.132 176.117 0.018 0.000 1.206 83 I CA 1.086 62.416 61.300 0.050 0.000 1.420 83 I CB -0.355 37.673 38.000 0.046 0.000 1.368 83 I HN 0.238 nan 8.210 nan 0.000 0.556 84 S N 5.364 121.063 115.700 -0.001 0.000 2.610 84 S HA 0.627 5.097 4.470 0.001 0.000 0.273 84 S C -0.396 174.179 174.600 -0.043 0.000 1.274 84 S CA -0.739 57.446 58.200 -0.025 0.000 1.023 84 S CB 1.595 64.779 63.200 -0.027 0.000 0.962 84 S HN 0.482 nan 8.310 nan 0.000 0.523 85 V N 0.556 120.430 119.914 -0.068 0.000 2.841 85 V HA 0.695 4.816 4.120 0.001 0.000 0.310 85 V C -2.911 173.111 176.094 -0.120 0.000 1.090 85 V CA -2.852 59.398 62.300 -0.084 0.000 0.930 85 V CB 1.614 33.384 31.823 -0.088 0.000 1.014 85 V HN 0.628 nan 8.190 nan 0.000 0.425 86 P HA 0.280 nan 4.420 nan 0.000 0.268 86 P C -0.259 176.903 177.300 -0.229 0.000 1.205 86 P CA 0.290 63.296 63.100 -0.157 0.000 0.771 86 P CB 1.325 32.957 31.700 -0.113 0.000 0.858 87 V N -1.035 118.662 119.914 -0.361 0.000 3.155 87 V HA 0.966 5.086 4.120 0.001 0.000 0.313 87 V C 0.223 175.934 176.094 -0.638 0.000 1.162 87 V CA -0.106 61.851 62.300 -0.572 0.000 1.048 87 V CB 1.022 32.336 31.823 -0.848 0.000 1.092 87 V HN 1.003 nan 8.190 nan 0.000 0.447 88 G N 1.279 109.631 108.800 -0.747 0.000 2.698 88 G HA2 -0.169 3.791 3.960 0.001 0.000 0.225 88 G HA3 -0.169 3.791 3.960 0.001 0.000 0.225 88 G C 0.283 175.124 174.900 -0.098 0.000 1.345 88 G CA 0.316 45.188 45.100 -0.380 0.000 0.871 88 G HN 1.014 nan 8.290 nan 0.000 0.540 89 R N 0.247 120.790 120.500 0.073 0.000 2.200 89 R HA -0.068 4.272 4.340 0.001 0.000 0.234 89 R C 2.110 178.402 176.300 -0.013 0.000 1.127 89 R CA 1.560 57.678 56.100 0.032 0.000 0.989 89 R CB -0.173 30.139 30.300 0.021 0.000 0.869 89 R HN 0.592 nan 8.270 nan 0.000 0.459 90 E N -0.203 119.983 120.200 -0.024 0.000 2.409 90 E HA -0.099 4.251 4.350 0.001 0.000 0.198 90 E C 1.748 178.334 176.600 -0.024 0.000 1.024 90 E CA 1.424 57.808 56.400 -0.027 0.000 0.861 90 E CB 0.001 29.676 29.700 -0.041 0.000 0.788 90 E HN 0.469 nan 8.360 nan 0.000 0.521 91 T N -1.590 112.952 114.554 -0.019 0.000 3.067 91 T HA 0.060 4.411 4.350 0.001 0.000 0.261 91 T C 1.235 175.953 174.700 0.030 0.000 1.110 91 T CA -0.069 62.031 62.100 -0.001 0.000 1.113 91 T CB -0.098 68.767 68.868 -0.004 0.000 0.917 91 T HN -0.060 nan 8.240 nan 0.000 0.499 92 L N 1.715 122.949 121.223 0.019 0.000 2.456 92 L HA 0.451 4.791 4.340 0.001 0.000 0.272 92 L C 1.732 178.620 176.870 0.030 0.000 1.189 92 L CA 0.865 55.706 54.840 0.001 0.000 0.846 92 L CB 0.165 42.166 42.059 -0.096 0.000 1.111 92 L HN 0.520 nan 8.230 nan 0.000 0.475 93 G N 1.481 110.318 108.800 0.061 0.000 2.184 93 G HA2 -0.228 3.733 3.960 0.001 0.000 0.264 93 G HA3 -0.228 3.733 3.960 0.001 0.000 0.264 93 G C 0.313 175.282 174.900 0.116 0.000 0.975 93 G CA -0.223 44.935 45.100 0.096 0.000 0.642 93 G HN 0.461 nan 8.290 nan 0.000 0.536 94 R N -0.184 120.359 120.500 0.071 0.000 2.668 94 R HA 0.719 5.060 4.340 0.001 0.000 0.279 94 R C 0.271 176.575 176.300 0.006 0.000 0.976 94 R CA -1.015 55.109 56.100 0.039 0.000 0.978 94 R CB 0.994 31.306 30.300 0.019 0.000 1.133 94 R HN 0.292 nan 8.270 nan 0.000 0.484 95 I N 2.935 123.475 120.570 -0.049 0.000 2.336 95 I HA 0.388 4.559 4.170 0.001 0.000 0.292 95 I C -0.100 176.014 176.117 -0.005 0.000 0.991 95 I CA -0.665 60.612 61.300 -0.040 0.000 1.227 95 I CB 1.011 38.936 38.000 -0.125 0.000 1.366 95 I HN 0.279 nan 8.210 nan 0.000 0.466 96 I N 5.900 126.479 120.570 0.016 0.000 2.646 96 I HA 0.360 4.531 4.170 0.001 0.000 0.299 96 I C -0.088 176.049 176.117 0.033 0.000 1.036 96 I CA -0.478 60.827 61.300 0.008 0.000 1.074 96 I CB 1.752 39.743 38.000 -0.015 0.000 1.258 96 I HN 0.626 nan 8.210 nan 0.000 0.430 97 N N 3.887 122.604 118.700 0.028 0.000 2.643 97 N HA 0.216 4.957 4.740 0.001 0.000 0.305 97 N C 0.678 176.197 175.510 0.015 0.000 1.283 97 N CA -0.775 52.300 53.050 0.042 0.000 0.946 97 N CB 0.410 38.924 38.487 0.045 0.000 1.149 97 N HN 0.356 nan 8.380 nan 0.000 0.600 98 V N -0.283 119.642 119.914 0.019 0.000 2.568 98 V HA -0.125 3.996 4.120 0.001 0.000 0.253 98 V C 1.583 177.674 176.094 -0.005 0.000 1.072 98 V CA 1.814 64.116 62.300 0.003 0.000 1.084 98 V CB -0.837 30.994 31.823 0.014 0.000 0.676 98 V HN 0.644 nan 8.190 nan 0.000 0.469 99 I N -2.475 118.095 120.570 0.001 0.000 3.861 99 I HA 0.545 4.716 4.170 0.001 0.000 0.329 99 I C 1.353 177.463 176.117 -0.011 0.000 1.321 99 I CA 0.605 61.904 61.300 -0.002 0.000 1.126 99 I CB -0.131 37.873 38.000 0.007 0.000 1.018 99 I HN 0.264 nan 8.210 nan 0.000 0.407 100 G N 1.015 109.805 108.800 -0.018 0.000 2.175 100 G HA2 -0.242 3.718 3.960 0.001 0.000 0.244 100 G HA3 -0.242 3.718 3.960 0.001 0.000 0.244 100 G C -0.060 174.827 174.900 -0.022 0.000 0.982 100 G CA -0.133 44.950 45.100 -0.028 0.000 0.641 100 G HN 0.593 nan 8.290 nan 0.000 0.527 101 E N 1.849 122.043 120.200 -0.011 0.000 2.354 101 E HA 0.349 4.700 4.350 0.001 0.000 0.269 101 E C -2.148 174.447 176.600 -0.007 0.000 1.036 101 E CA -1.559 54.836 56.400 -0.008 0.000 0.876 101 E CB 1.152 30.851 29.700 -0.002 0.000 1.009 101 E HN 0.192 nan 8.360 nan 0.000 0.416 102 P HA 0.047 nan 4.420 nan 0.000 0.276 102 P C 0.007 177.302 177.300 -0.008 0.000 1.235 102 P CA 0.298 63.393 63.100 -0.009 0.000 0.772 102 P CB 0.272 31.967 31.700 -0.009 0.000 0.871 103 I N -0.239 120.323 120.570 -0.013 0.000 3.856 103 I HA 0.264 4.434 4.170 0.001 0.000 0.330 103 I C 0.002 176.091 176.117 -0.047 0.000 1.546 103 I CA -0.289 60.999 61.300 -0.019 0.000 1.132 103 I CB -0.103 37.894 38.000 -0.006 0.000 1.157 103 I HN 0.003 nan 8.210 nan 0.000 0.440 104 D N 0.176 120.546 120.400 -0.051 0.000 2.369 104 D HA 0.017 4.657 4.640 0.001 0.000 0.211 104 D C 0.324 176.625 176.300 0.002 0.000 1.077 104 D CA -0.170 53.794 54.000 -0.062 0.000 0.842 104 D CB -0.205 40.538 40.800 -0.096 0.000 0.947 104 D HN 0.464 nan 8.370 nan 0.000 0.509 105 E N 0.027 120.229 120.200 0.002 0.000 2.360 105 E HA -0.261 4.089 4.350 0.001 0.000 0.238 105 E C 0.080 176.694 176.600 0.023 0.000 1.186 105 E CA 0.200 56.608 56.400 0.013 0.000 0.719 105 E CB -1.213 28.497 29.700 0.016 0.000 1.236 105 E HN 0.412 nan 8.360 nan 0.000 0.386 106 R N -0.042 120.472 120.500 0.023 0.000 2.662 106 R HA 0.274 4.614 4.340 0.001 0.000 0.396 106 R C 0.621 176.932 176.300 0.018 0.000 1.096 106 R CA 0.353 56.471 56.100 0.029 0.000 1.081 106 R CB 1.066 31.394 30.300 0.046 0.000 1.382 106 R HN 0.358 nan 8.270 nan 0.000 0.580 107 G N 2.295 111.102 108.800 0.011 0.000 2.828 107 G HA2 -0.223 3.738 3.960 0.001 0.000 0.463 107 G HA3 -0.223 3.738 3.960 0.001 0.000 0.463 107 G C -2.524 172.377 174.900 0.002 0.000 1.394 107 G CA -1.149 43.955 45.100 0.006 0.000 0.862 107 G HN 0.086 nan 8.290 nan 0.000 0.540 108 P HA 0.301 nan 4.420 nan 0.000 0.268 108 P C 0.105 177.399 177.300 -0.010 0.000 1.208 108 P CA 0.086 63.182 63.100 -0.007 0.000 0.777 108 P CB 0.366 32.061 31.700 -0.008 0.000 0.875 109 I N 2.740 123.300 120.570 -0.017 0.000 2.281 109 I HA 0.124 4.294 4.170 0.001 0.000 0.293 109 I C 1.048 177.146 176.117 -0.032 0.000 1.085 109 I CA -0.173 61.112 61.300 -0.024 0.000 1.257 109 I CB 0.081 38.061 38.000 -0.033 0.000 1.430 109 I HN 0.022 nan 8.210 nan 0.000 0.489 110 K N 5.721 126.106 120.400 -0.025 0.000 2.187 110 K HA 0.196 4.516 4.320 0.001 0.000 0.242 110 K C -0.061 176.518 176.600 -0.035 0.000 1.179 110 K CA -0.179 56.093 56.287 -0.026 0.000 1.097 110 K CB 0.077 32.569 32.500 -0.014 0.000 1.634 110 K HN 0.612 nan 8.250 nan 0.000 0.335 111 S N 0.260 115.927 115.700 -0.055 0.000 2.472 111 S HA 0.267 4.737 4.470 0.001 0.000 0.303 111 S C 0.772 175.325 174.600 -0.077 0.000 1.099 111 S CA -1.002 57.152 58.200 -0.077 0.000 1.077 111 S CB 1.981 65.106 63.200 -0.125 0.000 1.031 111 S HN 0.363 nan 8.310 nan 0.000 0.487 112 K N 1.386 121.748 120.400 -0.063 0.000 2.218 112 K HA 0.028 4.349 4.320 0.001 0.000 0.205 112 K C 0.058 176.618 176.600 -0.066 0.000 1.046 112 K CA 1.086 57.345 56.287 -0.046 0.000 0.933 112 K CB -0.373 32.115 32.500 -0.019 0.000 0.728 112 K HN 0.539 nan 8.250 nan 0.000 0.454 113 L N 0.655 121.805 121.223 -0.123 0.000 2.386 113 L HA 0.359 4.699 4.340 0.001 0.000 0.271 113 L C -0.417 176.338 176.870 -0.191 0.000 0.993 113 L CA -0.775 53.976 54.840 -0.149 0.000 0.819 113 L CB 2.154 44.102 42.059 -0.185 0.000 1.294 113 L HN -0.045 nan 8.230 nan 0.000 0.414 114 R N 2.443 122.863 120.500 -0.134 0.000 2.778 114 R HA 0.677 5.017 4.340 0.001 0.000 0.277 114 R C -1.131 175.105 176.300 -0.106 0.000 0.977 114 R CA -0.978 55.046 56.100 -0.128 0.000 0.950 114 R CB 2.556 32.806 30.300 -0.083 0.000 1.165 114 R HN 0.454 nan 8.270 nan 0.000 0.474 115 K N 1.488 121.827 120.400 -0.102 0.000 2.502 115 K HA 0.398 4.718 4.320 0.001 0.000 0.257 115 K C -2.758 173.816 176.600 -0.043 0.000 0.938 115 K CA -2.090 54.158 56.287 -0.065 0.000 0.819 115 K CB 2.617 35.073 32.500 -0.073 0.000 1.333 115 K HN 0.275 nan 8.250 nan 0.000 0.434 116 P HA 0.095 nan 4.420 nan 0.000 0.271 116 P C 0.657 177.948 177.300 -0.016 0.000 1.216 116 P CA -0.196 62.908 63.100 0.007 0.000 0.771 116 P CB 0.247 31.969 31.700 0.036 0.000 0.864 117 I N -0.383 120.161 120.570 -0.043 0.000 2.830 117 I HA -0.021 4.150 4.170 0.001 0.000 0.263 117 I C 0.344 176.317 176.117 -0.239 0.000 1.230 117 I CA 0.963 62.172 61.300 -0.151 0.000 1.480 117 I CB -0.552 37.327 38.000 -0.203 0.000 1.095 117 I HN 0.266 nan 8.210 nan 0.000 0.455 118 H N 2.533 121.592 119.070 -0.018 0.000 2.488 118 H HA 0.788 5.344 4.556 0.001 0.000 0.322 118 H C -0.502 174.817 175.328 -0.014 0.000 1.078 118 H CA -0.157 55.883 56.048 -0.014 0.000 1.260 118 H CB 1.599 31.357 29.762 -0.007 0.000 1.425 118 H HN 0.415 nan 8.280 nan 0.000 0.471 119 A N 3.486 126.355 122.820 0.081 0.000 2.604 119 A HA 0.243 4.564 4.320 0.001 0.000 0.295 119 A C -1.000 176.605 177.584 0.034 0.000 1.067 119 A CA -0.994 51.070 52.037 0.045 0.000 0.683 119 A CB 1.362 20.373 19.000 0.019 0.000 1.281 119 A HN 0.553 nan 8.150 nan 0.000 0.407 120 D N 2.906 123.322 120.400 0.028 0.000 2.424 120 D HA 0.371 5.012 4.640 0.001 0.000 0.244 120 D C -1.951 174.359 176.300 0.017 0.000 1.134 120 D CA -0.049 53.965 54.000 0.024 0.000 0.881 120 D CB 0.589 41.401 40.800 0.021 0.000 1.191 120 D HN 0.351 nan 8.370 nan 0.000 0.445 121 P HA 0.235 nan 4.420 nan 0.000 0.274 121 P C -2.541 174.771 177.300 0.020 0.000 1.231 121 P CA -1.216 61.894 63.100 0.015 0.000 0.790 121 P CB -0.348 31.366 31.700 0.023 0.000 0.951 122 P HA -0.050 nan 4.420 nan 0.000 0.264 122 P C 0.619 177.938 177.300 0.032 0.000 1.179 122 P CA 0.494 63.601 63.100 0.012 0.000 0.763 122 P CB 0.094 31.793 31.700 -0.002 0.000 0.806 123 S N 2.353 118.075 115.700 0.036 0.000 2.617 123 S HA 0.064 4.535 4.470 0.001 0.000 0.255 123 S C 0.946 175.607 174.600 0.102 0.000 1.318 123 S CA -0.294 57.950 58.200 0.073 0.000 0.978 123 S CB -0.118 63.123 63.200 0.068 0.000 0.961 123 S HN 0.409 nan 8.310 nan 0.000 0.582 124 F N 0.916 120.866 119.950 -0.000 0.000 2.325 124 F HA 0.173 4.701 4.527 0.001 0.000 0.299 124 F C 2.312 178.111 175.800 -0.002 0.000 1.090 124 F CA 1.028 59.027 58.000 -0.001 0.000 1.392 124 F CB -0.891 38.108 39.000 -0.001 0.000 1.053 124 F HN 0.673 nan 8.300 nan 0.000 0.521 125 A N -0.008 122.819 122.820 0.012 0.000 1.968 125 A HA -0.106 4.215 4.320 0.001 0.000 0.217 125 A C 1.919 179.432 177.584 -0.118 0.000 1.169 125 A CA 1.389 53.383 52.037 -0.072 0.000 0.638 125 A CB -0.668 18.348 19.000 0.027 0.000 0.812 125 A HN 0.520 nan 8.150 nan 0.000 0.446 126 E N 0.385 120.539 120.200 -0.077 0.000 2.494 126 E HA 0.006 4.356 4.350 0.001 0.000 0.193 126 E C -0.164 176.380 176.600 -0.092 0.000 1.074 126 E CA -0.230 56.130 56.400 -0.067 0.000 0.867 126 E CB 0.109 29.790 29.700 -0.032 0.000 0.924 126 E HN 0.517 nan 8.360 nan 0.000 0.502 127 Q N 0.457 120.162 119.800 -0.159 0.000 2.373 127 Q HA 0.169 4.509 4.340 0.001 0.000 0.255 127 Q C -0.273 175.644 176.000 -0.139 0.000 0.980 127 Q CA 0.222 55.928 55.803 -0.162 0.000 0.882 127 Q CB 1.717 30.296 28.738 -0.264 0.000 1.249 127 Q HN -0.077 nan 8.270 nan 0.000 0.438 128 S N 1.226 116.868 115.700 -0.096 0.000 2.524 128 S HA 0.263 4.734 4.470 0.001 0.000 0.227 128 S C -0.575 173.989 174.600 -0.059 0.000 1.304 128 S CA -0.577 57.578 58.200 -0.076 0.000 1.185 128 S CB 0.183 63.351 63.200 -0.055 0.000 1.104 128 S HN 0.591 nan 8.310 nan 0.000 0.475 129 T N 1.514 116.030 114.554 -0.064 0.000 2.860 129 T HA 0.685 5.036 4.350 0.001 0.000 0.299 129 T C 0.172 174.854 174.700 -0.030 0.000 1.045 129 T CA -0.439 61.635 62.100 -0.043 0.000 1.071 129 T CB 1.314 70.157 68.868 -0.043 0.000 0.985 129 T HN 0.847 nan 8.240 nan 0.000 0.537 130 S N -0.214 115.475 115.700 -0.018 0.000 2.558 130 S HA 0.582 5.052 4.470 0.001 0.000 0.277 130 S C -1.333 173.265 174.600 -0.003 0.000 1.143 130 S CA -0.594 57.600 58.200 -0.011 0.000 0.865 130 S CB 0.968 64.162 63.200 -0.010 0.000 1.102 130 S HN 1.594 nan 8.310 nan 0.000 0.454 131 A N 2.687 125.507 122.820 -0.001 0.000 3.105 131 A HA 0.675 4.996 4.320 0.001 0.000 0.336 131 A C -0.253 177.336 177.584 0.008 0.000 1.042 131 A CA -0.418 51.621 52.037 0.004 0.000 0.851 131 A CB 0.217 19.217 19.000 -0.000 0.000 1.068 131 A HN 0.693 nan 8.150 nan 0.000 0.477 132 E N 0.483 120.692 120.200 0.015 0.000 2.244 132 E HA 0.490 4.840 4.350 0.001 0.000 0.266 132 E C -1.407 175.213 176.600 0.034 0.000 0.914 132 E CA -0.623 55.790 56.400 0.021 0.000 0.794 132 E CB 2.549 32.261 29.700 0.020 0.000 1.210 132 E HN 0.621 nan 8.360 nan 0.000 0.414 133 I N 3.606 124.199 120.570 0.039 0.000 2.382 133 I HA 0.206 4.377 4.170 0.001 0.000 0.285 133 I C -1.162 174.994 176.117 0.065 0.000 1.007 133 I CA -0.792 60.539 61.300 0.052 0.000 1.142 133 I CB 0.623 38.645 38.000 0.036 0.000 1.289 133 I HN 0.341 nan 8.210 nan 0.000 0.453 134 L N 7.919 129.197 121.223 0.092 0.000 2.363 134 L HA 0.268 4.608 4.340 0.001 0.000 0.286 134 L C 0.402 177.322 176.870 0.083 0.000 1.106 134 L CA 0.321 55.222 54.840 0.101 0.000 0.859 134 L CB 0.300 42.442 42.059 0.139 0.000 1.223 134 L HN 0.619 nan 8.230 nan 0.000 0.446 135 E N 2.105 122.339 120.200 0.057 0.000 2.415 135 E HA -0.036 4.315 4.350 0.001 0.000 0.260 135 E C 0.664 177.276 176.600 0.021 0.000 1.016 135 E CA 0.526 56.946 56.400 0.032 0.000 0.924 135 E CB 0.736 30.457 29.700 0.034 0.000 0.961 135 E HN 0.792 nan 8.360 nan 0.000 0.459 136 T N 1.062 115.604 114.554 -0.021 0.000 3.040 136 T HA 0.231 4.581 4.350 0.001 0.000 0.252 136 T C 1.446 176.119 174.700 -0.045 0.000 1.064 136 T CA 0.420 62.500 62.100 -0.033 0.000 1.110 136 T CB 0.326 69.129 68.868 -0.109 0.000 0.921 136 T HN 0.686 nan 8.240 nan 0.000 0.480 137 G N 1.762 110.542 108.800 -0.033 0.000 2.217 137 G HA2 -0.203 3.758 3.960 0.001 0.000 0.246 137 G HA3 -0.203 3.758 3.960 0.001 0.000 0.246 137 G C 0.069 174.965 174.900 -0.006 0.000 0.990 137 G CA 0.020 45.108 45.100 -0.020 0.000 0.627 137 G HN 0.662 nan 8.290 nan 0.000 0.522 138 I N 1.612 122.170 120.570 -0.021 0.000 2.322 138 I HA 0.217 4.387 4.170 0.001 0.000 0.292 138 I C 1.687 177.819 176.117 0.025 0.000 1.060 138 I CA -0.499 60.833 61.300 0.054 0.000 1.309 138 I CB 1.127 39.167 38.000 0.067 0.000 1.415 138 I HN 0.020 nan 8.210 nan 0.000 0.492 139 K N 3.707 124.123 120.400 0.026 0.000 2.059 139 K HA -0.201 4.120 4.320 0.001 0.000 0.212 139 K C 1.866 178.416 176.600 -0.084 0.000 1.050 139 K CA 1.429 57.696 56.287 -0.034 0.000 0.927 139 K CB -0.106 32.374 32.500 -0.033 0.000 0.714 139 K HN 0.583 nan 8.250 nan 0.000 0.447 140 V N 0.844 120.742 119.914 -0.027 0.000 2.515 140 V HA -0.187 3.934 4.120 0.001 0.000 0.250 140 V C 1.942 178.009 176.094 -0.044 0.000 1.058 140 V CA 1.466 63.736 62.300 -0.050 0.000 1.064 140 V CB 0.074 31.921 31.823 0.040 0.000 0.675 140 V HN 0.117 nan 8.190 nan 0.000 0.461 141 V N -0.008 119.895 119.914 -0.019 0.000 2.273 141 V HA -0.127 3.994 4.120 0.001 0.000 0.242 141 V C 2.346 178.366 176.094 -0.123 0.000 1.035 141 V CA 2.140 64.376 62.300 -0.107 0.000 1.013 141 V CB -0.782 30.880 31.823 -0.269 0.000 0.652 141 V HN 0.500 nan 8.190 nan 0.000 0.452 142 D N 0.046 120.383 120.400 -0.105 0.000 2.190 142 D HA -0.167 4.473 4.640 0.001 0.000 0.200 142 D C 1.851 178.177 176.300 0.043 0.000 0.992 142 D CA 1.319 55.298 54.000 -0.035 0.000 0.854 142 D CB -0.161 40.623 40.800 -0.027 0.000 0.936 142 D HN 0.342 nan 8.370 nan 0.000 0.462 143 L N -0.255 120.933 121.223 -0.058 0.000 2.034 143 L HA 0.026 4.366 4.340 0.001 0.000 0.203 143 L C 2.008 178.891 176.870 0.021 0.000 1.074 143 L CA 1.391 56.181 54.840 -0.083 0.000 0.748 143 L CB -0.348 41.489 42.059 -0.369 0.000 0.905 143 L HN -0.028 nan 8.230 nan 0.000 0.439 144 L N -0.783 120.393 121.223 -0.078 0.000 2.253 144 L HA 0.299 4.640 4.340 0.001 0.000 0.205 144 L C 0.714 177.562 176.870 -0.035 0.000 1.078 144 L CA 0.542 55.335 54.840 -0.078 0.000 0.805 144 L CB -0.220 41.772 42.059 -0.113 0.000 0.963 144 L HN 0.302 nan 8.230 nan 0.000 0.459 145 A N 0.800 123.613 122.820 -0.011 0.000 3.127 145 A HA 0.469 4.790 4.320 0.001 0.000 0.319 145 A C -2.634 174.980 177.584 0.051 0.000 1.104 145 A CA -0.950 51.107 52.037 0.033 0.000 0.802 145 A CB -0.032 19.007 19.000 0.066 0.000 1.193 145 A HN -0.145 nan 8.150 nan 0.000 0.479 146 P HA 0.247 nan 4.420 nan 0.000 0.274 146 P C -0.888 176.518 177.300 0.177 0.000 1.231 146 P CA 0.161 63.268 63.100 0.012 0.000 0.790 146 P CB 0.640 32.347 31.700 0.012 0.000 0.951 147 Y N 0.210 120.544 120.300 0.056 0.000 2.301 147 Y HA 0.436 4.987 4.550 0.001 0.000 0.328 147 Y C 1.073 176.991 175.900 0.029 0.000 1.242 147 Y CA -1.547 56.581 58.100 0.048 0.000 1.323 147 Y CB 0.138 38.633 38.460 0.059 0.000 1.266 147 Y HN 0.390 nan 8.280 nan 0.000 0.527 148 A N 3.355 126.281 122.820 0.178 0.000 2.301 148 A HA 0.531 4.852 4.320 0.001 0.000 0.312 148 A C 0.139 177.760 177.584 0.062 0.000 1.182 148 A CA -0.924 51.167 52.037 0.089 0.000 0.826 148 A CB 0.285 19.316 19.000 0.051 0.000 1.134 148 A HN 0.819 nan 8.150 nan 0.000 0.501 149 R N 1.424 121.955 120.500 0.052 0.000 2.421 149 R HA 0.359 4.699 4.340 0.001 0.000 0.305 149 R C 1.256 177.563 176.300 0.012 0.000 1.039 149 R CA 1.628 57.749 56.100 0.036 0.000 1.003 149 R CB -0.005 30.320 30.300 0.042 0.000 0.959 149 R HN 1.659 nan 8.270 nan 0.000 0.427 150 G N 2.365 111.160 108.800 -0.009 0.000 2.143 150 G HA2 -0.239 3.721 3.960 0.001 0.000 0.248 150 G HA3 -0.239 3.721 3.960 0.001 0.000 0.248 150 G C 0.262 175.142 174.900 -0.033 0.000 0.991 150 G CA -0.009 45.077 45.100 -0.023 0.000 0.689 150 G HN 0.901 nan 8.290 nan 0.000 0.522 151 G N -0.908 107.869 108.800 -0.038 0.000 2.552 151 G HA2 0.632 4.592 3.960 0.001 0.000 0.318 151 G HA3 0.632 4.592 3.960 0.001 0.000 0.318 151 G C -0.327 174.526 174.900 -0.078 0.000 1.240 151 G CA -0.837 44.239 45.100 -0.041 0.000 1.002 151 G HN 0.322 nan 8.290 nan 0.000 0.493 152 K N 0.204 120.566 120.400 -0.064 0.000 2.316 152 K HA 0.431 4.752 4.320 0.001 0.000 0.267 152 K C -0.823 175.716 176.600 -0.102 0.000 1.025 152 K CA -0.108 56.129 56.287 -0.082 0.000 0.896 152 K CB 1.562 34.042 32.500 -0.032 0.000 1.124 152 K HN 0.263 nan 8.250 nan 0.000 0.451 153 I N 1.308 121.764 120.570 -0.191 0.000 2.441 153 I HA 0.400 4.571 4.170 0.001 0.000 0.295 153 I C 0.410 176.422 176.117 -0.174 0.000 0.994 153 I CA -0.761 60.373 61.300 -0.276 0.000 1.144 153 I CB 2.121 39.736 38.000 -0.641 0.000 1.314 153 I HN 0.569 nan 8.210 nan 0.000 0.445 154 G N 6.245 115.007 108.800 -0.063 0.000 2.530 154 G HA2 0.665 4.625 3.960 0.001 0.000 0.316 154 G HA3 0.665 4.625 3.960 0.001 0.000 0.316 154 G C -0.895 174.014 174.900 0.015 0.000 1.298 154 G CA -0.540 44.533 45.100 -0.045 0.000 0.948 154 G HN 0.465 nan 8.290 nan 0.000 0.486 155 L N 2.751 123.911 121.223 -0.106 0.000 2.314 155 L HA 0.362 4.702 4.340 0.001 0.000 0.275 155 L C -0.609 176.189 176.870 -0.120 0.000 1.068 155 L CA -0.570 54.226 54.840 -0.074 0.000 0.894 155 L CB 0.159 42.178 42.059 -0.066 0.000 1.275 155 L HN 0.334 nan 8.230 nan 0.000 0.432 156 F N 1.411 121.302 119.950 -0.099 0.000 2.412 156 F HA 0.646 5.174 4.527 0.001 0.000 0.348 156 F C 1.068 176.815 175.800 -0.088 0.000 1.102 156 F CA -0.104 57.828 58.000 -0.113 0.000 1.196 156 F CB 1.635 40.565 39.000 -0.117 0.000 1.144 156 F HN 0.377 nan 8.300 nan 0.000 0.541 157 G N 0.985 109.805 108.800 0.034 0.000 2.616 157 G HA2 0.493 4.454 3.960 0.001 0.000 0.294 157 G HA3 0.493 4.454 3.960 0.001 0.000 0.294 157 G C -0.779 174.037 174.900 -0.140 0.000 1.489 157 G CA -0.407 44.685 45.100 -0.014 0.000 0.836 157 G HN 0.912 nan 8.290 nan 0.000 0.527 158 G N -0.582 108.134 108.800 -0.140 0.000 2.588 158 G HA2 0.667 4.628 3.960 0.001 0.000 0.278 158 G HA3 0.667 4.628 3.960 0.001 0.000 0.278 158 G C 0.718 175.575 174.900 -0.073 0.000 1.307 158 G CA 0.348 45.300 45.100 -0.246 0.000 1.016 158 G HN 1.679 nan 8.290 nan 0.000 0.503 159 A N -1.134 121.715 122.820 0.048 0.000 2.515 159 A HA 0.504 4.824 4.320 0.001 0.000 0.263 159 A C 1.511 179.172 177.584 0.129 0.000 1.096 159 A CA 1.101 53.281 52.037 0.239 0.000 0.769 159 A CB -0.778 18.394 19.000 0.287 0.000 1.040 159 A HN 2.550 nan 8.150 nan 0.000 0.505 160 G N 0.944 109.822 108.800 0.130 0.000 2.136 160 G HA2 -0.177 3.783 3.960 0.001 0.000 0.242 160 G HA3 -0.177 3.783 3.960 0.001 0.000 0.242 160 G C 0.715 175.676 174.900 0.100 0.000 0.989 160 G CA 0.764 45.921 45.100 0.096 0.000 0.682 160 G HN 2.133 nan 8.290 nan 0.000 0.522 161 V N -3.112 116.866 119.914 0.106 0.000 3.506 161 V HA 0.621 4.741 4.120 0.001 0.000 0.263 161 V C 1.717 177.924 176.094 0.187 0.000 1.203 161 V CA 1.329 63.700 62.300 0.117 0.000 1.133 161 V CB 0.221 32.077 31.823 0.055 0.000 0.802 161 V HN 2.165 nan 8.190 nan 0.000 0.459 162 G N 0.323 109.234 108.800 0.186 0.000 2.148 162 G HA2 -0.160 3.800 3.960 0.001 0.000 0.120 162 G HA3 -0.160 3.800 3.960 0.001 0.000 0.120 162 G C 0.486 175.559 174.900 0.287 0.000 1.034 162 G CA 0.162 45.413 45.100 0.252 0.000 0.710 162 G HN 0.422 nan 8.290 nan 0.000 0.495 163 K N -0.107 120.418 120.400 0.209 0.000 2.026 163 K HA -0.065 4.255 4.320 0.001 0.000 0.208 163 K C 2.548 179.313 176.600 0.275 0.000 1.048 163 K CA 1.969 58.378 56.287 0.204 0.000 0.929 163 K CB -0.221 32.359 32.500 0.135 0.000 0.713 163 K HN 0.343 nan 8.250 nan 0.000 0.439 164 T N 0.961 115.660 114.554 0.241 0.000 2.812 164 T HA -0.082 4.268 4.350 0.001 0.000 0.264 164 T C 2.087 176.940 174.700 0.255 0.000 1.042 164 T CA 1.034 63.279 62.100 0.241 0.000 1.140 164 T CB -0.232 68.759 68.868 0.204 0.000 0.870 164 T HN -0.070 nan 8.240 nan 0.000 0.445 165 V N 0.919 120.997 119.914 0.273 0.000 2.407 165 V HA -0.127 3.994 4.120 0.001 0.000 0.248 165 V C 2.015 178.292 176.094 0.305 0.000 1.055 165 V CA 1.485 63.962 62.300 0.295 0.000 1.049 165 V CB -0.743 31.277 31.823 0.328 0.000 0.662 165 V HN 0.359 nan 8.190 nan 0.000 0.455 166 F N -0.038 120.059 119.950 0.245 0.000 2.084 166 F HA -0.158 4.370 4.527 0.001 0.000 0.296 166 F C 2.146 178.016 175.800 0.117 0.000 1.111 166 F CA 1.802 59.930 58.000 0.214 0.000 1.224 166 F CB -0.197 38.967 39.000 0.274 0.000 0.991 166 F HN 0.010 nan 8.300 nan 0.000 0.471 167 I N 0.001 120.824 120.570 0.422 0.000 2.264 167 I HA -0.357 3.813 4.170 0.001 0.000 0.248 167 I C 2.225 178.411 176.117 0.116 0.000 1.111 167 I CA 1.517 63.015 61.300 0.330 0.000 1.382 167 I CB -0.276 37.938 38.000 0.357 0.000 1.060 167 I HN 0.286 nan 8.210 nan 0.000 0.418 168 Q N -0.384 119.456 119.800 0.068 0.000 2.167 168 Q HA -0.267 4.074 4.340 0.001 0.000 0.202 168 Q C 1.982 177.903 176.000 -0.132 0.000 0.970 168 Q CA 1.488 57.261 55.803 -0.051 0.000 0.855 168 Q CB -0.030 28.710 28.738 0.005 0.000 0.911 168 Q HN 0.419 nan 8.270 nan 0.000 0.438 169 E N 0.952 121.035 120.200 -0.196 0.000 2.072 169 E HA -0.131 4.220 4.350 0.001 0.000 0.191 169 E C 1.760 178.176 176.600 -0.307 0.000 0.985 169 E CA 0.851 57.018 56.400 -0.389 0.000 0.801 169 E CB -0.113 29.026 29.700 -0.936 0.000 0.750 169 E HN 0.259 nan 8.360 nan 0.000 0.452 170 L N 0.191 121.299 121.223 -0.191 0.000 1.994 170 L HA -0.179 4.162 4.340 0.001 0.000 0.208 170 L C 2.552 179.434 176.870 0.020 0.000 1.071 170 L CA 1.323 56.173 54.840 0.016 0.000 0.745 170 L CB -0.585 41.653 42.059 0.298 0.000 0.892 170 L HN 0.220 nan 8.230 nan 0.000 0.431 171 I N 0.301 120.752 120.570 -0.197 0.000 2.185 171 I HA -0.375 3.796 4.170 0.001 0.000 0.246 171 I C 2.338 178.349 176.117 -0.176 0.000 1.088 171 I CA 1.800 62.853 61.300 -0.413 0.000 1.347 171 I CB -0.439 37.177 38.000 -0.641 0.000 1.041 171 I HN 0.392 nan 8.210 nan 0.000 0.415 172 N N 0.917 119.525 118.700 -0.154 0.000 2.106 172 N HA -0.162 4.579 4.740 0.001 0.000 0.188 172 N C 1.518 176.986 175.510 -0.070 0.000 1.029 172 N CA 1.696 54.679 53.050 -0.111 0.000 0.848 172 N CB -0.027 38.387 38.487 -0.123 0.000 1.007 172 N HN 0.255 nan 8.380 nan 0.000 0.423 173 N N -0.154 118.503 118.700 -0.071 0.000 2.290 173 N HA 0.007 4.748 4.740 0.001 0.000 0.179 173 N C 1.285 176.803 175.510 0.014 0.000 1.016 173 N CA 0.643 53.669 53.050 -0.039 0.000 0.871 173 N CB -0.024 38.421 38.487 -0.069 0.000 0.987 173 N HN 0.282 nan 8.380 nan 0.000 0.431 174 I N 1.099 121.699 120.570 0.051 0.000 2.429 174 I HA 0.105 4.276 4.170 0.001 0.000 0.247 174 I C 2.282 178.471 176.117 0.120 0.000 1.099 174 I CA 0.383 61.743 61.300 0.100 0.000 1.422 174 I CB -1.563 36.524 38.000 0.145 0.000 1.112 174 I HN -0.033 nan 8.210 nan 0.000 0.430 175 A N 1.197 124.089 122.820 0.119 0.000 1.902 175 A HA -0.212 4.108 4.320 0.001 0.000 0.217 175 A C 2.371 180.024 177.584 0.115 0.000 1.181 175 A CA 1.687 53.802 52.037 0.130 0.000 0.623 175 A CB -0.479 18.564 19.000 0.073 0.000 0.818 175 A HN 0.349 nan 8.150 nan 0.000 0.443 176 K N -0.545 119.892 120.400 0.061 0.000 2.031 176 K HA 0.055 4.376 4.320 0.001 0.000 0.205 176 K C 2.142 178.775 176.600 0.054 0.000 1.049 176 K CA 0.975 57.289 56.287 0.045 0.000 0.939 176 K CB -0.284 32.223 32.500 0.012 0.000 0.717 176 K HN 0.397 nan 8.250 nan 0.000 0.438 177 A N 1.137 123.993 122.820 0.060 0.000 2.225 177 A HA -0.125 4.196 4.320 0.001 0.000 0.215 177 A C 0.646 178.278 177.584 0.079 0.000 1.164 177 A CA 0.681 52.750 52.037 0.054 0.000 0.710 177 A CB -0.659 18.370 19.000 0.049 0.000 0.780 177 A HN 0.308 nan 8.150 nan 0.000 0.473 178 H N -1.208 117.860 119.070 -0.004 0.000 2.511 178 H HA 0.332 4.889 4.556 0.001 0.000 0.346 178 H C 1.303 176.595 175.328 -0.060 0.000 1.128 178 H CA 0.380 56.416 56.048 -0.020 0.000 1.342 178 H CB 1.420 31.184 29.762 0.003 0.000 1.470 178 H HN 0.114 nan 8.280 nan 0.000 0.546 179 G N 2.651 111.084 108.800 -0.611 0.000 2.662 179 G HA2 0.030 3.990 3.960 0.001 0.000 0.212 179 G HA3 0.030 3.990 3.960 0.001 0.000 0.212 179 G C 0.854 175.421 174.900 -0.555 0.000 1.141 179 G CA 0.449 45.271 45.100 -0.463 0.000 0.797 179 G HN 0.684 nan 8.290 nan 0.000 0.531 180 G N -0.339 107.996 108.800 -0.775 0.000 2.582 180 G HA2 0.479 4.439 3.960 0.001 0.000 0.232 180 G HA3 0.479 4.439 3.960 0.001 0.000 0.232 180 G C -0.741 173.890 174.900 -0.449 0.000 1.458 180 G CA -0.699 44.074 45.100 -0.544 0.000 1.062 180 G HN 0.025 nan 8.290 nan 0.000 0.566 181 F N -1.072 118.850 119.950 -0.048 0.000 2.541 181 F HA 0.665 5.193 4.527 0.001 0.000 0.331 181 F C 0.573 176.331 175.800 -0.071 0.000 1.057 181 F CA -0.795 57.096 58.000 -0.183 0.000 0.975 181 F CB 2.135 40.730 39.000 -0.676 0.000 1.246 181 F HN 0.171 nan 8.300 nan 0.000 0.484 182 S N 0.391 116.208 115.700 0.194 0.000 2.536 182 S HA 0.753 5.224 4.470 0.001 0.000 0.298 182 S C -1.120 173.599 174.600 0.199 0.000 1.083 182 S CA -0.721 57.603 58.200 0.206 0.000 0.995 182 S CB 2.099 65.475 63.200 0.294 0.000 1.058 182 S HN 0.299 nan 8.310 nan 0.000 0.488 183 V N 3.135 123.180 119.914 0.218 0.000 2.495 183 V HA 0.526 4.646 4.120 0.001 0.000 0.298 183 V C -1.167 175.072 176.094 0.242 0.000 1.031 183 V CA -0.638 61.780 62.300 0.198 0.000 0.871 183 V CB 1.278 33.194 31.823 0.156 0.000 0.988 183 V HN 0.826 nan 8.190 nan 0.000 0.432 184 F N 3.824 123.803 119.950 0.048 0.000 2.427 184 F HA 0.665 5.192 4.527 0.001 0.000 0.348 184 F C 0.236 175.926 175.800 -0.183 0.000 1.125 184 F CA -0.085 57.917 58.000 0.004 0.000 0.989 184 F CB 1.612 40.594 39.000 -0.030 0.000 1.165 184 F HN 0.491 nan 8.300 nan 0.000 0.442 185 T N 4.324 118.502 114.554 -0.626 0.000 2.797 185 T HA 0.605 4.955 4.350 0.001 0.000 0.279 185 T C 0.026 174.339 174.700 -0.646 0.000 0.991 185 T CA -0.715 61.078 62.100 -0.511 0.000 0.979 185 T CB 1.485 70.167 68.868 -0.311 0.000 0.943 185 T HN 0.842 nan 8.240 nan 0.000 0.444 186 G N 1.425 110.007 108.800 -0.363 0.000 2.415 186 G HA2 0.541 4.501 3.960 0.001 0.000 0.317 186 G HA3 0.541 4.501 3.960 0.001 0.000 0.317 186 G C -0.752 174.215 174.900 0.112 0.000 1.152 186 G CA -0.487 44.650 45.100 0.062 0.000 0.956 186 G HN 0.673 nan 8.290 nan 0.000 0.458 187 V N 2.630 122.575 119.914 0.051 0.000 2.313 187 V HA 0.579 4.699 4.120 0.001 0.000 0.278 187 V C 1.162 177.303 176.094 0.078 0.000 1.017 187 V CA 0.346 62.677 62.300 0.051 0.000 0.823 187 V CB 0.755 32.585 31.823 0.012 0.000 1.010 187 V HN 1.380 nan 8.190 nan 0.000 0.443 188 G N 3.438 112.287 108.800 0.081 0.000 2.305 188 G HA2 -0.191 3.770 3.960 0.001 0.000 0.287 188 G HA3 -0.191 3.770 3.960 0.001 0.000 0.287 188 G C 0.166 175.104 174.900 0.064 0.000 1.036 188 G CA 0.384 45.518 45.100 0.057 0.000 0.887 188 G HN 0.583 nan 8.290 nan 0.000 0.505 189 E N -0.729 119.531 120.200 0.099 0.000 2.664 189 E HA 0.462 4.813 4.350 0.001 0.000 0.245 189 E C 0.944 177.587 176.600 0.071 0.000 1.016 189 E CA -0.947 55.512 56.400 0.097 0.000 0.963 189 E CB 0.550 30.343 29.700 0.154 0.000 1.360 189 E HN 0.397 nan 8.360 nan 0.000 0.472 190 R N 0.219 120.759 120.500 0.067 0.000 2.347 190 R HA 0.159 4.500 4.340 0.001 0.000 0.304 190 R C 1.226 177.528 176.300 0.004 0.000 1.072 190 R CA 0.090 56.211 56.100 0.034 0.000 0.980 190 R CB 0.302 30.625 30.300 0.039 0.000 0.986 190 R HN 0.390 nan 8.270 nan 0.000 0.448 191 T N 3.025 117.559 114.554 -0.032 0.000 2.720 191 T HA -0.199 4.152 4.350 0.001 0.000 0.268 191 T C 1.744 176.370 174.700 -0.122 0.000 1.037 191 T CA 1.867 63.905 62.100 -0.104 0.000 1.144 191 T CB -0.095 68.721 68.868 -0.086 0.000 0.864 191 T HN 0.633 nan 8.240 nan 0.000 0.444 192 R N 1.529 121.993 120.500 -0.059 0.000 2.193 192 R HA -0.023 4.318 4.340 0.001 0.000 0.229 192 R C 1.916 178.195 176.300 -0.035 0.000 1.110 192 R CA 1.596 57.670 56.100 -0.044 0.000 0.988 192 R CB -0.387 29.905 30.300 -0.013 0.000 0.871 192 R HN 0.421 nan 8.270 nan 0.000 0.458 193 E N 0.610 120.801 120.200 -0.015 0.000 2.106 193 E HA -0.095 4.255 4.350 0.001 0.000 0.192 193 E C 2.153 178.742 176.600 -0.019 0.000 0.984 193 E CA 1.113 57.528 56.400 0.024 0.000 0.806 193 E CB -0.179 29.577 29.700 0.094 0.000 0.750 193 E HN 0.660 nan 8.360 nan 0.000 0.458 194 G N 1.370 110.066 108.800 -0.172 0.000 2.418 194 G HA2 -0.348 3.612 3.960 0.001 0.000 0.217 194 G HA3 -0.348 3.612 3.960 0.001 0.000 0.217 194 G C 1.401 176.140 174.900 -0.267 0.000 1.158 194 G CA 1.071 45.861 45.100 -0.517 0.000 0.771 194 G HN 0.210 nan 8.290 nan 0.000 0.545 195 N N 0.700 119.295 118.700 -0.176 0.000 2.069 195 N HA -0.123 4.617 4.740 0.001 0.000 0.191 195 N C 1.706 177.226 175.510 0.017 0.000 1.031 195 N CA 1.829 54.854 53.050 -0.042 0.000 0.852 195 N CB -0.165 38.299 38.487 -0.039 0.000 1.018 195 N HN 0.140 nan 8.380 nan 0.000 0.423 196 D N -0.253 120.141 120.400 -0.009 0.000 2.117 196 D HA -0.117 4.524 4.640 0.001 0.000 0.198 196 D C 1.878 178.173 176.300 -0.008 0.000 0.982 196 D CA 0.524 54.521 54.000 -0.005 0.000 0.828 196 D CB -0.389 40.411 40.800 -0.000 0.000 0.967 196 D HN 0.252 nan 8.370 nan 0.000 0.464 197 L N -0.104 121.116 121.223 -0.004 0.000 2.005 197 L HA -0.171 4.169 4.340 0.001 0.000 0.207 197 L C 2.206 179.098 176.870 0.038 0.000 1.072 197 L CA 1.443 56.260 54.840 -0.038 0.000 0.744 197 L CB -0.816 41.172 42.059 -0.118 0.000 0.895 197 L HN 0.002 nan 8.230 nan 0.000 0.433 198 Y N 0.732 121.011 120.300 -0.035 0.000 2.069 198 Y HA -0.353 4.197 4.550 0.001 0.000 0.278 198 Y C 2.944 178.826 175.900 -0.029 0.000 1.175 198 Y CA 2.372 60.467 58.100 -0.008 0.000 1.134 198 Y CB -0.568 37.898 38.460 0.010 0.000 0.965 198 Y HN 0.227 nan 8.280 nan 0.000 0.498 199 R N -0.032 120.425 120.500 -0.072 0.000 2.096 199 R HA -0.197 4.144 4.340 0.001 0.000 0.240 199 R C 2.134 178.351 176.300 -0.138 0.000 1.139 199 R CA 1.880 57.885 56.100 -0.158 0.000 0.952 199 R CB -0.164 30.089 30.300 -0.079 0.000 0.854 199 R HN 0.325 nan 8.270 nan 0.000 0.436 200 E N 0.480 120.626 120.200 -0.090 0.000 2.012 200 E HA -0.232 4.118 4.350 0.001 0.000 0.197 200 E C 2.044 178.586 176.600 -0.097 0.000 1.007 200 E CA 1.490 57.837 56.400 -0.089 0.000 0.816 200 E CB -0.370 29.280 29.700 -0.083 0.000 0.762 200 E HN 0.334 nan 8.360 nan 0.000 0.451 201 M N 0.918 120.465 119.600 -0.089 0.000 2.128 201 M HA -0.254 4.227 4.480 0.001 0.000 0.253 201 M C 2.032 178.281 176.300 -0.086 0.000 1.079 201 M CA 1.699 56.956 55.300 -0.072 0.000 1.082 201 M CB -1.287 31.301 32.600 -0.020 0.000 1.335 201 M HN 0.074 nan 8.290 nan 0.000 0.401 202 K N -0.108 120.204 120.400 -0.145 0.000 2.002 202 K HA -0.178 4.142 4.320 0.001 0.000 0.209 202 K C 2.073 178.612 176.600 -0.101 0.000 1.048 202 K CA 1.509 57.706 56.287 -0.151 0.000 0.930 202 K CB -0.186 32.172 32.500 -0.237 0.000 0.714 202 K HN 0.194 nan 8.250 nan 0.000 0.438 203 E N -0.008 120.133 120.200 -0.099 0.000 2.085 203 E HA -0.143 4.207 4.350 0.001 0.000 0.194 203 E C 1.919 178.484 176.600 -0.059 0.000 0.994 203 E CA 1.948 58.303 56.400 -0.074 0.000 0.801 203 E CB -0.250 29.406 29.700 -0.073 0.000 0.743 203 E HN 0.451 nan 8.360 nan 0.000 0.453 204 T N -3.552 110.967 114.554 -0.060 0.000 3.085 204 T HA 0.144 4.494 4.350 0.001 0.000 0.263 204 T C 1.644 176.323 174.700 -0.036 0.000 1.127 204 T CA 0.634 62.706 62.100 -0.047 0.000 1.103 204 T CB 0.062 68.899 68.868 -0.052 0.000 0.921 204 T HN 0.300 nan 8.240 nan 0.000 0.510 205 G N 0.602 109.379 108.800 -0.039 0.000 2.179 205 G HA2 -0.324 3.637 3.960 0.001 0.000 0.260 205 G HA3 -0.324 3.637 3.960 0.001 0.000 0.260 205 G C 0.924 175.818 174.900 -0.010 0.000 0.977 205 G CA 0.193 45.278 45.100 -0.025 0.000 0.641 205 G HN 0.567 nan 8.290 nan 0.000 0.533 206 V N 0.111 120.018 119.914 -0.011 0.000 2.594 206 V HA 0.109 4.229 4.120 0.001 0.000 0.253 206 V C 1.590 177.699 176.094 0.026 0.000 1.069 206 V CA 1.746 64.052 62.300 0.010 0.000 1.082 206 V CB -0.251 31.571 31.823 -0.002 0.000 0.680 206 V HN 0.522 nan 8.190 nan 0.000 0.469 207 I N 1.436 122.012 120.570 0.010 0.000 2.362 207 I HA 0.357 4.528 4.170 0.001 0.000 0.289 207 I C -0.419 175.698 176.117 0.001 0.000 0.994 207 I CA -0.247 61.069 61.300 0.027 0.000 1.158 207 I CB 1.466 39.496 38.000 0.050 0.000 1.315 207 I HN 0.099 nan 8.210 nan 0.000 0.451 208 N N 6.976 125.687 118.700 0.017 0.000 2.479 208 N HA 0.331 5.071 4.740 0.001 0.000 0.261 208 N C 0.261 175.782 175.510 0.019 0.000 0.979 208 N CA -0.444 52.610 53.050 0.007 0.000 0.930 208 N CB 1.416 39.910 38.487 0.011 0.000 1.172 208 N HN 0.554 nan 8.380 nan 0.000 0.499 209 L N 1.880 123.110 121.223 0.011 0.000 2.633 209 L HA 0.073 4.414 4.340 0.001 0.000 0.235 209 L C 0.527 177.411 176.870 0.023 0.000 1.163 209 L CA 0.904 55.760 54.840 0.027 0.000 0.859 209 L CB 0.011 42.082 42.059 0.020 0.000 0.973 209 L HN 0.565 nan 8.230 nan 0.000 0.451 210 E N -0.759 119.451 120.200 0.016 0.000 3.105 210 E HA 0.323 4.673 4.350 0.001 0.000 0.198 210 E C 0.440 177.050 176.600 0.017 0.000 0.976 210 E CA -0.010 56.398 56.400 0.015 0.000 1.219 210 E CB 1.039 30.744 29.700 0.008 0.000 1.081 210 E HN 0.356 nan 8.360 nan 0.000 0.464 211 G N 0.403 109.216 108.800 0.022 0.000 2.512 211 G HA2 0.058 4.018 3.960 0.001 0.000 0.186 211 G HA3 0.058 4.018 3.960 0.001 0.000 0.186 211 G C -1.231 173.690 174.900 0.035 0.000 1.189 211 G CA -0.750 44.365 45.100 0.026 0.000 0.994 211 G HN -0.039 nan 8.290 nan 0.000 0.506 212 E N 0.581 120.806 120.200 0.042 0.000 2.366 212 E HA 0.565 4.915 4.350 0.001 0.000 0.266 212 E C -0.500 176.136 176.600 0.060 0.000 1.051 212 E CA 0.131 56.567 56.400 0.059 0.000 0.884 212 E CB 1.422 31.168 29.700 0.076 0.000 1.006 212 E HN 0.375 nan 8.360 nan 0.000 0.417 213 S N 1.813 117.555 115.700 0.070 0.000 2.536 213 S HA 0.324 4.795 4.470 0.001 0.000 0.287 213 S C 0.450 175.115 174.600 0.109 0.000 1.101 213 S CA -0.887 57.358 58.200 0.074 0.000 0.950 213 S CB 2.005 65.242 63.200 0.062 0.000 1.056 213 S HN 0.314 nan 8.310 nan 0.000 0.481 214 K N 0.496 120.975 120.400 0.132 0.000 2.379 214 K HA 0.269 4.589 4.320 0.001 0.000 0.194 214 K C 0.129 176.842 176.600 0.189 0.000 1.031 214 K CA 0.283 56.702 56.287 0.221 0.000 1.037 214 K CB 0.602 33.203 32.500 0.168 0.000 0.824 214 K HN 0.374 nan 8.250 nan 0.000 0.516 215 V N 0.234 120.218 119.914 0.116 0.000 2.709 215 V HA 0.688 4.809 4.120 0.001 0.000 0.308 215 V C -1.663 174.490 176.094 0.097 0.000 1.062 215 V CA -0.959 61.410 62.300 0.114 0.000 0.901 215 V CB 1.623 33.516 31.823 0.118 0.000 1.003 215 V HN 0.070 nan 8.190 nan 0.000 0.425 216 A N 7.091 129.977 122.820 0.111 0.000 2.301 216 A HA 0.842 5.163 4.320 0.001 0.000 0.312 216 A C -0.824 176.812 177.584 0.088 0.000 1.182 216 A CA -0.601 51.497 52.037 0.101 0.000 0.826 216 A CB 0.711 19.793 19.000 0.138 0.000 1.134 216 A HN 0.926 nan 8.150 nan 0.000 0.501 217 L N 3.203 124.451 121.223 0.042 0.000 2.305 217 L HA 0.486 4.826 4.340 0.001 0.000 0.284 217 L C -0.910 175.883 176.870 -0.129 0.000 1.013 217 L CA -0.768 54.051 54.840 -0.037 0.000 0.819 217 L CB 1.667 43.735 42.059 0.016 0.000 1.227 217 L HN 0.426 nan 8.230 nan 0.000 0.417 218 V N 3.399 123.160 119.914 -0.256 0.000 2.459 218 V HA 0.506 4.626 4.120 0.001 0.000 0.295 218 V C -0.610 175.246 176.094 -0.395 0.000 1.029 218 V CA -0.456 61.715 62.300 -0.216 0.000 0.874 218 V CB 1.693 33.433 31.823 -0.138 0.000 0.985 218 V HN 0.366 nan 8.190 nan 0.000 0.438 219 F N 1.762 121.734 119.950 0.036 0.000 2.551 219 F HA 0.817 5.344 4.527 0.001 0.000 0.316 219 F C 0.593 176.403 175.800 0.017 0.000 1.089 219 F CA -0.788 57.237 58.000 0.041 0.000 0.915 219 F CB 2.616 41.641 39.000 0.041 0.000 1.186 219 F HN 0.560 nan 8.300 nan 0.000 0.456 220 G N 3.292 112.247 108.800 0.258 0.000 3.594 220 G HA2 0.289 4.250 3.960 0.001 0.000 0.295 220 G HA3 0.289 4.250 3.960 0.001 0.000 0.295 220 G C -0.896 174.082 174.900 0.130 0.000 1.576 220 G CA -0.523 44.661 45.100 0.139 0.000 0.661 220 G HN 0.298 nan 8.290 nan 0.000 0.452 221 Q N 0.761 120.636 119.800 0.125 0.000 2.272 221 Q HA 0.262 4.602 4.340 0.001 0.000 0.192 221 Q C 2.062 178.092 176.000 0.049 0.000 1.059 221 Q CA -0.595 55.265 55.803 0.095 0.000 1.084 221 Q CB 0.619 29.390 28.738 0.054 0.000 1.139 221 Q HN 0.706 nan 8.270 nan 0.000 0.593 222 M N -0.318 119.302 119.600 0.034 0.000 2.686 222 M HA -0.030 4.451 4.480 0.001 0.000 0.246 222 M C 0.762 177.067 176.300 0.007 0.000 1.096 222 M CA 1.004 56.313 55.300 0.016 0.000 1.076 222 M CB -0.293 32.313 32.600 0.009 0.000 1.504 222 M HN 0.358 nan 8.290 nan 0.000 0.524 223 N N 1.098 119.803 118.700 0.008 0.000 2.354 223 N HA -0.049 4.691 4.740 0.001 0.000 0.179 223 N C -0.137 175.375 175.510 0.004 0.000 1.021 223 N CA 0.566 53.617 53.050 0.002 0.000 0.887 223 N CB -0.391 38.093 38.487 -0.004 0.000 0.974 223 N HN 0.598 nan 8.380 nan 0.000 0.437 224 E N 2.382 122.589 120.200 0.011 0.000 2.313 224 E HA 0.265 4.616 4.350 0.001 0.000 0.272 224 E C -2.172 174.432 176.600 0.006 0.000 1.038 224 E CA -2.007 54.400 56.400 0.012 0.000 0.863 224 E CB 0.604 30.318 29.700 0.022 0.000 1.060 224 E HN 0.214 nan 8.360 nan 0.000 0.402 225 P HA -0.027 nan 4.420 nan 0.000 0.269 225 P C -2.169 175.129 177.300 -0.004 0.000 1.217 225 P CA -1.004 62.096 63.100 -0.001 0.000 0.783 225 P CB -0.024 31.678 31.700 0.002 0.000 0.898 226 P HA -0.196 nan 4.420 nan 0.000 0.215 226 P C 1.729 179.018 177.300 -0.017 0.000 1.157 226 P CA 2.312 65.397 63.100 -0.026 0.000 0.874 226 P CB -0.569 31.110 31.700 -0.035 0.000 0.790 227 G N -0.140 108.658 108.800 -0.004 0.000 2.469 227 G HA2 -0.291 3.669 3.960 0.001 0.000 0.219 227 G HA3 -0.291 3.669 3.960 0.001 0.000 0.219 227 G C 1.651 176.565 174.900 0.022 0.000 1.150 227 G CA 1.127 46.233 45.100 0.010 0.000 0.763 227 G HN 0.356 nan 8.290 nan 0.000 0.561 228 A N 0.687 123.519 122.820 0.020 0.000 1.858 228 A HA 0.012 4.333 4.320 0.001 0.000 0.216 228 A C 2.418 180.021 177.584 0.031 0.000 1.190 228 A CA 1.685 53.738 52.037 0.026 0.000 0.617 228 A CB -0.421 18.594 19.000 0.024 0.000 0.827 228 A HN 0.327 nan 8.150 nan 0.000 0.443 229 R N -0.641 119.873 120.500 0.024 0.000 2.189 229 R HA 0.001 4.342 4.340 0.001 0.000 0.223 229 R C 2.154 178.484 176.300 0.050 0.000 1.092 229 R CA 0.904 57.022 56.100 0.030 0.000 0.989 229 R CB -0.286 30.019 30.300 0.007 0.000 0.876 229 R HN 0.537 nan 8.270 nan 0.000 0.457 230 A N 0.276 123.119 122.820 0.039 0.000 2.021 230 A HA -0.009 4.312 4.320 0.001 0.000 0.216 230 A C 1.774 179.472 177.584 0.189 0.000 1.163 230 A CA 0.760 52.832 52.037 0.058 0.000 0.676 230 A CB 0.127 19.115 19.000 -0.019 0.000 0.818 230 A HN 0.064 nan 8.150 nan 0.000 0.453 231 R N -1.261 119.303 120.500 0.106 0.000 2.282 231 R HA 0.131 4.472 4.340 0.001 0.000 0.195 231 R C 1.768 178.068 176.300 -0.000 0.000 0.909 231 R CA 0.791 56.929 56.100 0.062 0.000 1.039 231 R CB -0.613 29.712 30.300 0.042 0.000 1.015 231 R HN 0.365 nan 8.270 nan 0.000 0.513 232 V N 1.587 121.511 119.914 0.016 0.000 2.490 232 V HA -0.173 3.947 4.120 0.001 0.000 0.250 232 V C 2.227 178.281 176.094 -0.067 0.000 1.061 232 V CA 1.926 64.215 62.300 -0.019 0.000 1.064 232 V CB -0.362 31.466 31.823 0.010 0.000 0.670 232 V HN 0.297 nan 8.190 nan 0.000 0.461 233 A N 0.029 122.806 122.820 -0.072 0.000 1.948 233 A HA -0.198 4.123 4.320 0.001 0.000 0.220 233 A C 2.099 179.560 177.584 -0.204 0.000 1.177 233 A CA 2.269 54.204 52.037 -0.169 0.000 0.636 233 A CB -0.555 18.281 19.000 -0.274 0.000 0.815 233 A HN 0.606 nan 8.150 nan 0.000 0.449 234 L N -1.220 119.886 121.223 -0.194 0.000 2.156 234 L HA -0.107 4.233 4.340 0.001 0.000 0.208 234 L C 2.666 179.435 176.870 -0.167 0.000 1.095 234 L CA 1.571 56.283 54.840 -0.213 0.000 0.770 234 L CB -1.250 40.641 42.059 -0.280 0.000 0.914 234 L HN 0.312 nan 8.230 nan 0.000 0.439 235 T N 0.275 114.749 114.554 -0.135 0.000 2.701 235 T HA -0.105 4.246 4.350 0.001 0.000 0.263 235 T C 1.926 176.568 174.700 -0.097 0.000 1.040 235 T CA 1.501 63.538 62.100 -0.105 0.000 1.147 235 T CB -0.526 68.296 68.868 -0.077 0.000 0.865 235 T HN 0.535 nan 8.240 nan 0.000 0.426 236 G N 1.394 110.132 108.800 -0.104 0.000 2.422 236 G HA2 -0.150 3.810 3.960 0.001 0.000 0.218 236 G HA3 -0.150 3.810 3.960 0.001 0.000 0.218 236 G C 1.534 176.385 174.900 -0.081 0.000 1.146 236 G CA 0.763 45.805 45.100 -0.097 0.000 0.769 236 G HN 0.390 nan 8.290 nan 0.000 0.547 237 L N 1.103 122.261 121.223 -0.109 0.000 2.027 237 L HA 0.019 4.360 4.340 0.001 0.000 0.206 237 L C 2.858 179.689 176.870 -0.066 0.000 1.074 237 L CA 2.604 57.385 54.840 -0.099 0.000 0.745 237 L CB -1.162 40.811 42.059 -0.143 0.000 0.898 237 L HN 0.176 nan 8.230 nan 0.000 0.433 238 T N 0.353 114.859 114.554 -0.080 0.000 2.759 238 T HA -0.191 4.160 4.350 0.001 0.000 0.269 238 T C 2.001 176.665 174.700 -0.059 0.000 1.042 238 T CA 2.006 64.066 62.100 -0.066 0.000 1.140 238 T CB -0.391 68.426 68.868 -0.085 0.000 0.864 238 T HN 0.346 nan 8.240 nan 0.000 0.455 239 I N 1.433 121.960 120.570 -0.070 0.000 2.113 239 I HA -0.193 3.978 4.170 0.001 0.000 0.238 239 I C 3.021 179.125 176.117 -0.021 0.000 1.070 239 I CA 1.363 62.604 61.300 -0.098 0.000 1.332 239 I CB -0.657 37.321 38.000 -0.037 0.000 1.044 239 I HN 0.203 nan 8.210 nan 0.000 0.402 240 A N 0.280 123.166 122.820 0.110 0.000 1.972 240 A HA -0.218 4.103 4.320 0.001 0.000 0.219 240 A C 2.185 179.867 177.584 0.163 0.000 1.169 240 A CA 1.604 53.781 52.037 0.232 0.000 0.635 240 A CB -0.600 18.480 19.000 0.133 0.000 0.810 240 A HN 0.479 nan 8.150 nan 0.000 0.446 241 E N -1.802 118.438 120.200 0.067 0.000 2.110 241 E HA -0.203 4.147 4.350 0.001 0.000 0.193 241 E C 1.796 178.428 176.600 0.054 0.000 0.988 241 E CA 1.340 57.767 56.400 0.045 0.000 0.804 241 E CB -0.262 29.446 29.700 0.014 0.000 0.745 241 E HN 0.817 nan 8.360 nan 0.000 0.458 242 Y N 0.173 120.402 120.300 -0.117 0.000 2.200 242 Y HA -0.233 4.318 4.550 0.001 0.000 0.290 242 Y C 1.806 177.637 175.900 -0.114 0.000 1.137 242 Y CA 1.405 59.398 58.100 -0.180 0.000 1.163 242 Y CB -0.128 38.133 38.460 -0.333 0.000 0.988 242 Y HN -0.048 nan 8.280 nan 0.000 0.518 243 F N 0.200 120.251 119.950 0.169 0.000 2.171 243 F HA -0.154 4.373 4.527 0.001 0.000 0.300 243 F C 2.692 178.526 175.800 0.057 0.000 1.090 243 F CA 1.772 59.859 58.000 0.145 0.000 1.293 243 F CB -0.883 38.258 39.000 0.235 0.000 1.013 243 F HN -0.020 nan 8.300 nan 0.000 0.486 244 R N 0.309 120.933 120.500 0.206 0.000 2.096 244 R HA -0.155 4.185 4.340 0.001 0.000 0.235 244 R C 1.174 177.486 176.300 0.020 0.000 1.127 244 R CA 2.056 58.214 56.100 0.097 0.000 0.968 244 R CB -0.238 30.099 30.300 0.062 0.000 0.861 244 R HN 0.181 nan 8.270 nan 0.000 0.440 245 D N -0.665 119.708 120.400 -0.046 0.000 2.379 245 D HA -0.016 4.625 4.640 0.001 0.000 0.218 245 D C 1.132 177.330 176.300 -0.171 0.000 1.006 245 D CA 0.663 54.603 54.000 -0.100 0.000 0.893 245 D CB 0.334 41.071 40.800 -0.106 0.000 1.019 245 D HN 0.226 nan 8.370 nan 0.000 0.503 246 E N -0.067 119.945 120.200 -0.313 0.000 2.514 246 E HA 0.079 4.429 4.350 0.001 0.000 0.215 246 E C 0.759 177.240 176.600 -0.198 0.000 0.946 246 E CA 0.227 56.383 56.400 -0.407 0.000 1.038 246 E CB 0.936 30.035 29.700 -1.003 0.000 1.069 246 E HN 0.088 nan 8.360 nan 0.000 0.503 247 E N 0.346 120.523 120.200 -0.037 0.000 2.498 247 E HA 0.173 4.523 4.350 0.001 0.000 0.203 247 E C 0.619 177.269 176.600 0.084 0.000 1.013 247 E CA 0.338 56.818 56.400 0.134 0.000 0.927 247 E CB 0.613 30.559 29.700 0.410 0.000 1.012 247 E HN 0.248 nan 8.360 nan 0.000 0.482 248 G N 1.787 110.605 108.800 0.031 0.000 2.412 248 G HA2 -0.335 3.626 3.960 0.001 0.000 0.297 248 G HA3 -0.335 3.626 3.960 0.001 0.000 0.297 248 G C 0.038 174.951 174.900 0.021 0.000 0.965 248 G CA 1.348 46.455 45.100 0.011 0.000 1.134 248 G HN 0.296 nan 8.290 nan 0.000 0.511 249 Q N -1.230 118.597 119.800 0.045 0.000 2.685 249 Q HA 0.291 4.631 4.340 0.001 0.000 0.301 249 Q C -1.276 174.752 176.000 0.046 0.000 0.924 249 Q CA -0.999 54.816 55.803 0.020 0.000 0.755 249 Q CB 1.277 30.003 28.738 -0.018 0.000 1.470 249 Q HN 0.257 nan 8.270 nan 0.000 0.434 250 D N 0.695 121.116 120.400 0.034 0.000 2.450 250 D HA 0.265 4.905 4.640 0.001 0.000 0.247 250 D C -0.937 175.466 176.300 0.171 0.000 1.162 250 D CA 0.414 54.481 54.000 0.111 0.000 0.879 250 D CB 0.743 41.663 40.800 0.199 0.000 1.163 250 D HN 0.106 nan 8.370 nan 0.000 0.472 251 V N 2.669 122.651 119.914 0.112 0.000 2.656 251 V HA 0.382 4.503 4.120 0.001 0.000 0.307 251 V C -0.064 176.000 176.094 -0.051 0.000 1.051 251 V CA -1.040 61.312 62.300 0.087 0.000 0.893 251 V CB 1.613 33.523 31.823 0.145 0.000 0.999 251 V HN 0.377 nan 8.190 nan 0.000 0.426 252 L N 4.398 125.555 121.223 -0.110 0.000 2.307 252 L HA 0.602 4.942 4.340 0.001 0.000 0.282 252 L C -0.739 176.021 176.870 -0.184 0.000 1.051 252 L CA -0.576 54.114 54.840 -0.250 0.000 0.804 252 L CB 1.565 43.469 42.059 -0.257 0.000 1.197 252 L HN 0.458 nan 8.230 nan 0.000 0.431 253 L N 3.598 124.618 121.223 -0.339 0.000 2.319 253 L HA 0.539 4.880 4.340 0.001 0.000 0.281 253 L C -1.209 175.400 176.870 -0.435 0.000 1.005 253 L CA 0.114 54.808 54.840 -0.244 0.000 0.828 253 L CB 1.020 42.979 42.059 -0.168 0.000 1.227 253 L HN 0.200 nan 8.230 nan 0.000 0.415 254 F N 6.083 125.976 119.950 -0.095 0.000 2.411 254 F HA 0.588 5.115 4.527 0.001 0.000 0.352 254 F C 0.011 175.543 175.800 -0.446 0.000 1.123 254 F CA -0.391 57.520 58.000 -0.149 0.000 1.044 254 F CB 1.282 40.343 39.000 0.101 0.000 1.135 254 F HN 0.231 nan 8.300 nan 0.000 0.461 255 I N 3.077 123.517 120.570 -0.216 0.000 2.439 255 I HA 0.291 4.461 4.170 0.001 0.000 0.285 255 I C -1.286 174.707 176.117 -0.205 0.000 1.021 255 I CA -0.522 60.590 61.300 -0.314 0.000 1.091 255 I CB 1.841 39.702 38.000 -0.231 0.000 1.242 255 I HN 0.409 nan 8.210 nan 0.000 0.439 256 D N 6.383 126.640 120.400 -0.238 0.000 2.542 256 D HA 0.275 4.916 4.640 0.001 0.000 0.252 256 D C -1.312 175.001 176.300 0.020 0.000 1.222 256 D CA -0.296 53.692 54.000 -0.020 0.000 0.895 256 D CB 1.247 42.130 40.800 0.139 0.000 1.207 256 D HN 0.397 nan 8.370 nan 0.000 0.558 257 N N 4.457 123.186 118.700 0.048 0.000 2.352 257 N HA 0.159 4.899 4.740 0.001 0.000 0.291 257 N C 0.643 176.192 175.510 0.064 0.000 1.040 257 N CA -0.492 52.596 53.050 0.064 0.000 0.864 257 N CB 1.632 40.200 38.487 0.136 0.000 1.440 257 N HN 0.369 nan 8.380 nan 0.000 0.483 258 I N 4.009 124.588 120.570 0.014 0.000 2.530 258 I HA -0.151 4.019 4.170 0.001 0.000 0.257 258 I C 1.685 177.875 176.117 0.122 0.000 1.179 258 I CA 0.986 62.294 61.300 0.013 0.000 1.440 258 I CB -0.387 37.563 38.000 -0.083 0.000 1.087 258 I HN 0.616 nan 8.210 nan 0.000 0.440 259 F N 1.505 121.470 119.950 0.024 0.000 2.161 259 F HA -0.226 4.302 4.527 0.001 0.000 0.300 259 F C 2.327 178.183 175.800 0.094 0.000 1.089 259 F CA 1.531 59.577 58.000 0.076 0.000 1.282 259 F CB -0.398 38.683 39.000 0.134 0.000 1.010 259 F HN -0.021 nan 8.300 nan 0.000 0.485 260 R N -0.094 120.361 120.500 -0.074 0.000 2.241 260 R HA -0.196 4.145 4.340 0.001 0.000 0.224 260 R C 2.131 178.343 176.300 -0.146 0.000 1.101 260 R CA 1.262 57.258 56.100 -0.173 0.000 0.995 260 R CB -1.678 28.618 30.300 -0.007 0.000 0.870 260 R HN 0.495 nan 8.270 nan 0.000 0.463 261 F N 1.491 121.327 119.950 -0.190 0.000 2.113 261 F HA -0.124 4.403 4.527 0.001 0.000 0.297 261 F C 1.934 177.635 175.800 -0.165 0.000 1.103 261 F CA 1.513 59.424 58.000 -0.148 0.000 1.248 261 F CB -0.397 38.531 39.000 -0.121 0.000 0.999 261 F HN -0.154 nan 8.300 nan 0.000 0.475 262 T N 0.347 114.633 114.554 -0.446 0.000 2.812 262 T HA -0.193 4.157 4.350 0.001 0.000 0.264 262 T C 1.917 176.387 174.700 -0.385 0.000 1.042 262 T CA 1.419 63.225 62.100 -0.490 0.000 1.140 262 T CB -0.366 68.368 68.868 -0.224 0.000 0.870 262 T HN 0.438 nan 8.240 nan 0.000 0.445 263 Q N 0.737 120.222 119.800 -0.525 0.000 2.084 263 Q HA -0.111 4.230 4.340 0.001 0.000 0.202 263 Q C 2.451 178.298 176.000 -0.255 0.000 0.978 263 Q CA 1.556 57.108 55.803 -0.418 0.000 0.844 263 Q CB -0.276 28.064 28.738 -0.665 0.000 0.898 263 Q HN 0.528 nan 8.270 nan 0.000 0.426 264 A N 0.400 123.064 122.820 -0.261 0.000 1.930 264 A HA -0.077 4.243 4.320 0.001 0.000 0.217 264 A C 2.238 179.714 177.584 -0.180 0.000 1.175 264 A CA 1.468 53.399 52.037 -0.177 0.000 0.627 264 A CB -1.136 17.782 19.000 -0.137 0.000 0.815 264 A HN 0.605 nan 8.150 nan 0.000 0.443 265 G N -0.669 107.967 108.800 -0.274 0.000 2.446 265 G HA2 -0.245 3.716 3.960 0.001 0.000 0.217 265 G HA3 -0.245 3.716 3.960 0.001 0.000 0.217 265 G C 1.932 176.753 174.900 -0.132 0.000 1.168 265 G CA 1.533 46.488 45.100 -0.242 0.000 0.771 265 G HN 0.562 nan 8.290 nan 0.000 0.551 266 S N 0.554 116.190 115.700 -0.105 0.000 2.359 266 S HA -0.178 4.292 4.470 0.001 0.000 0.223 266 S C 2.253 176.811 174.600 -0.071 0.000 1.039 266 S CA 2.002 60.168 58.200 -0.057 0.000 1.042 266 S CB -0.439 62.720 63.200 -0.069 0.000 0.915 266 S HN 0.588 nan 8.310 nan 0.000 0.439 267 E N 0.208 120.358 120.200 -0.084 0.000 2.171 267 E HA -0.137 4.214 4.350 0.001 0.000 0.197 267 E C 2.119 178.690 176.600 -0.048 0.000 0.997 267 E CA 1.690 58.051 56.400 -0.065 0.000 0.810 267 E CB -0.317 29.344 29.700 -0.064 0.000 0.738 267 E HN 0.732 nan 8.360 nan 0.000 0.467 268 V N -2.363 117.522 119.914 -0.048 0.000 2.992 268 V HA 0.022 4.142 4.120 0.001 0.000 0.250 268 V C 2.274 178.353 176.094 -0.025 0.000 1.090 268 V CA 0.987 63.268 62.300 -0.032 0.000 1.101 268 V CB 0.329 32.136 31.823 -0.028 0.000 0.743 268 V HN 0.058 nan 8.190 nan 0.000 0.468 269 S N 1.405 117.087 115.700 -0.030 0.000 2.372 269 S HA -0.258 4.212 4.470 0.001 0.000 0.227 269 S C 2.172 176.765 174.600 -0.011 0.000 1.044 269 S CA 2.327 60.516 58.200 -0.019 0.000 1.050 269 S CB -0.596 62.595 63.200 -0.015 0.000 0.901 269 S HN 0.972 nan 8.310 nan 0.000 0.447 270 A N 0.925 123.736 122.820 -0.015 0.000 1.902 270 A HA 0.045 4.366 4.320 0.001 0.000 0.217 270 A C 2.232 179.812 177.584 -0.007 0.000 1.181 270 A CA 1.361 53.392 52.037 -0.010 0.000 0.623 270 A CB -0.724 18.267 19.000 -0.015 0.000 0.818 270 A HN 0.576 nan 8.150 nan 0.000 0.443 271 L N -0.740 120.478 121.223 -0.008 0.000 2.217 271 L HA -0.027 4.313 4.340 0.001 0.000 0.211 271 L C 1.801 178.672 176.870 0.001 0.000 1.107 271 L CA 0.589 55.426 54.840 -0.004 0.000 0.783 271 L CB -0.222 41.834 42.059 -0.005 0.000 0.919 271 L HN 0.364 nan 8.230 nan 0.000 0.442 272 L N -0.241 120.982 121.223 -0.000 0.000 2.650 272 L HA 0.050 4.390 4.340 0.001 0.000 0.235 272 L C 1.226 178.100 176.870 0.006 0.000 1.149 272 L CA 0.521 55.364 54.840 0.004 0.000 0.887 272 L CB -0.533 41.527 42.059 0.001 0.000 1.021 272 L HN 0.462 nan 8.230 nan 0.000 0.441 273 G N 0.497 109.300 108.800 0.005 0.000 2.149 273 G HA2 -0.277 3.683 3.960 0.001 0.000 0.235 273 G HA3 -0.277 3.683 3.960 0.001 0.000 0.235 273 G C 0.037 174.941 174.900 0.007 0.000 1.018 273 G CA -0.328 44.776 45.100 0.007 0.000 0.728 273 G HN 0.340 nan 8.290 nan 0.000 0.508 274 R N -0.411 120.092 120.500 0.005 0.000 2.346 274 R HA 0.618 4.959 4.340 0.001 0.000 0.311 274 R C 0.949 177.255 176.300 0.008 0.000 0.983 274 R CA -0.791 55.313 56.100 0.007 0.000 0.880 274 R CB 0.986 31.290 30.300 0.007 0.000 1.100 274 R HN 0.311 nan 8.270 nan 0.000 0.453 275 I N 5.868 126.445 120.570 0.011 0.000 2.662 275 I HA 0.021 4.191 4.170 0.001 0.000 0.285 275 I C -1.550 174.577 176.117 0.018 0.000 1.161 275 I CA -1.209 60.098 61.300 0.013 0.000 1.415 275 I CB 0.180 38.188 38.000 0.013 0.000 1.385 275 I HN 0.328 nan 8.210 nan 0.000 0.552 276 P HA 0.046 nan 4.420 nan 0.000 0.271 276 P C -0.179 177.144 177.300 0.039 0.000 1.216 276 P CA -0.150 62.966 63.100 0.026 0.000 0.776 276 P CB 1.276 32.984 31.700 0.013 0.000 0.881 277 S N 2.293 118.030 115.700 0.062 0.000 2.546 277 S HA 0.540 5.011 4.470 0.001 0.000 0.265 277 S C 0.331 174.985 174.600 0.089 0.000 1.190 277 S CA -0.234 58.009 58.200 0.072 0.000 1.014 277 S CB -0.030 63.219 63.200 0.082 0.000 1.087 277 S HN 0.604 nan 8.310 nan 0.000 0.525 278 A N 0.079 122.958 122.820 0.099 0.000 2.466 278 A HA 0.413 4.733 4.320 0.001 0.000 0.238 278 A C 1.185 178.867 177.584 0.164 0.000 1.074 278 A CA 0.260 52.361 52.037 0.106 0.000 0.774 278 A CB -0.725 18.331 19.000 0.094 0.000 1.015 278 A HN 1.688 nan 8.150 nan 0.000 0.498 279 V N 0.676 120.665 119.914 0.124 0.000 2.305 279 V HA -0.347 3.774 4.120 0.001 0.000 0.118 279 V C 1.804 177.909 176.094 0.017 0.000 0.453 279 V CA 1.995 64.362 62.300 0.113 0.000 1.312 279 V CB -2.441 29.515 31.823 0.221 0.000 1.544 279 V HN 2.912 nan 8.190 nan 0.000 0.972 280 G N -2.999 105.817 108.800 0.028 0.000 2.176 280 G HA2 -0.327 3.634 3.960 0.001 0.000 0.253 280 G HA3 -0.327 3.634 3.960 0.001 0.000 0.253 280 G C -0.147 174.712 174.900 -0.067 0.000 0.979 280 G CA 0.282 45.356 45.100 -0.042 0.000 0.641 280 G HN 0.779 nan 8.290 nan 0.000 0.530 281 Y N 1.662 121.975 120.300 0.021 0.000 2.281 281 Y HA 0.439 4.989 4.550 0.001 0.000 0.337 281 Y C 1.425 177.322 175.900 -0.005 0.000 1.304 281 Y CA 0.021 58.126 58.100 0.007 0.000 1.465 281 Y CB 0.410 38.883 38.460 0.021 0.000 1.350 281 Y HN 0.393 nan 8.280 nan 0.000 0.575 282 Q N 1.568 121.483 119.800 0.192 0.000 2.421 282 Q HA 0.102 4.442 4.340 0.001 0.000 0.255 282 Q C -2.415 173.628 176.000 0.071 0.000 1.013 282 Q CA -1.677 54.176 55.803 0.083 0.000 0.895 282 Q CB 0.428 29.187 28.738 0.034 0.000 1.271 282 Q HN 0.376 nan 8.270 nan 0.000 0.460 283 P HA -0.056 nan 4.420 nan 0.000 0.230 283 P C 0.595 177.911 177.300 0.026 0.000 1.158 283 P CA 1.396 64.517 63.100 0.035 0.000 0.769 283 P CB 0.102 31.818 31.700 0.026 0.000 0.807 284 T N -4.710 109.855 114.554 0.019 0.000 3.215 284 T HA 0.222 4.572 4.350 0.001 0.000 0.271 284 T C 1.273 175.977 174.700 0.007 0.000 1.012 284 T CA -0.377 61.731 62.100 0.013 0.000 0.899 284 T CB -0.889 67.984 68.868 0.008 0.000 1.089 284 T HN -0.044 nan 8.240 nan 0.000 0.552 285 L N 1.247 122.470 121.223 -0.001 0.000 1.956 285 L HA -0.100 4.240 4.340 0.001 0.000 0.216 285 L C 2.827 179.698 176.870 0.003 0.000 1.073 285 L CA 2.247 57.067 54.840 -0.033 0.000 0.762 285 L CB -0.713 41.291 42.059 -0.092 0.000 0.889 285 L HN 0.430 nan 8.230 nan 0.000 0.433 286 A N -0.888 121.947 122.820 0.025 0.000 1.898 286 A HA -0.199 4.121 4.320 0.001 0.000 0.216 286 A C 2.289 179.933 177.584 0.099 0.000 1.181 286 A CA 2.127 54.207 52.037 0.072 0.000 0.620 286 A CB -1.165 17.875 19.000 0.067 0.000 0.819 286 A HN 0.651 nan 8.150 nan 0.000 0.442 287 T N -2.206 112.391 114.554 0.073 0.000 2.904 287 T HA -0.116 4.234 4.350 0.001 0.000 0.267 287 T C 1.334 176.088 174.700 0.090 0.000 1.059 287 T CA 1.357 63.503 62.100 0.076 0.000 1.137 287 T CB -0.407 68.492 68.868 0.052 0.000 0.879 287 T HN 0.326 nan 8.240 nan 0.000 0.467 288 D N 0.984 121.437 120.400 0.089 0.000 2.097 288 D HA -0.039 4.601 4.640 0.001 0.000 0.195 288 D C 1.963 178.401 176.300 0.230 0.000 0.989 288 D CA 1.035 55.120 54.000 0.143 0.000 0.827 288 D CB -0.381 40.461 40.800 0.070 0.000 0.966 288 D HN 0.360 nan 8.370 nan 0.000 0.456 289 M N 0.326 120.037 119.600 0.185 0.000 2.175 289 M HA -0.078 4.403 4.480 0.001 0.000 0.264 289 M C 2.012 178.295 176.300 -0.029 0.000 1.063 289 M CA 1.759 57.134 55.300 0.126 0.000 1.119 289 M CB -0.213 32.419 32.600 0.052 0.000 1.377 289 M HN 0.023 nan 8.290 nan 0.000 0.415 290 G N 0.726 109.582 108.800 0.093 0.000 2.511 290 G HA2 -0.253 3.707 3.960 0.001 0.000 0.216 290 G HA3 -0.253 3.707 3.960 0.001 0.000 0.216 290 G C 1.335 176.277 174.900 0.069 0.000 1.218 290 G CA 0.948 46.145 45.100 0.162 0.000 0.788 290 G HN 0.460 nan 8.290 nan 0.000 0.560 291 L N -0.253 121.008 121.223 0.063 0.000 2.189 291 L HA -0.120 4.221 4.340 0.001 0.000 0.214 291 L C 2.679 179.537 176.870 -0.020 0.000 1.097 291 L CA 0.513 55.378 54.840 0.040 0.000 0.764 291 L CB -0.311 41.789 42.059 0.070 0.000 0.900 291 L HN 0.257 nan 8.230 nan 0.000 0.436 292 L N -1.069 120.103 121.223 -0.084 0.000 2.071 292 L HA -0.112 4.228 4.340 0.001 0.000 0.201 292 L C 2.552 179.290 176.870 -0.220 0.000 1.076 292 L CA 1.622 56.318 54.840 -0.241 0.000 0.755 292 L CB -0.656 41.067 42.059 -0.559 0.000 0.915 292 L HN 0.136 nan 8.230 nan 0.000 0.445 293 Q N -0.001 119.657 119.800 -0.236 0.000 2.119 293 Q HA -0.166 4.174 4.340 0.001 0.000 0.201 293 Q C 2.010 177.981 176.000 -0.049 0.000 0.972 293 Q CA 1.342 57.025 55.803 -0.201 0.000 0.847 293 Q CB -0.295 28.205 28.738 -0.397 0.000 0.903 293 Q HN 0.601 nan 8.270 nan 0.000 0.433 294 E N 0.579 120.787 120.200 0.015 0.000 2.267 294 E HA -0.157 4.193 4.350 0.001 0.000 0.197 294 E C 1.902 178.504 176.600 0.005 0.000 0.998 294 E CA 0.625 57.054 56.400 0.047 0.000 0.830 294 E CB -0.081 29.660 29.700 0.070 0.000 0.751 294 E HN 0.323 nan 8.360 nan 0.000 0.491 295 R N 0.258 120.740 120.500 -0.030 0.000 2.153 295 R HA 0.082 4.423 4.340 0.001 0.000 0.218 295 R C 1.119 177.388 176.300 -0.051 0.000 1.072 295 R CA 0.367 56.443 56.100 -0.041 0.000 0.990 295 R CB 0.049 30.312 30.300 -0.061 0.000 0.889 295 R HN 0.095 nan 8.270 nan 0.000 0.452 296 I N 1.770 122.298 120.570 -0.069 0.000 2.213 296 I HA 0.050 4.221 4.170 0.001 0.000 0.295 296 I C 0.102 176.188 176.117 -0.050 0.000 1.172 296 I CA 0.081 61.335 61.300 -0.076 0.000 1.443 296 I CB 0.301 38.233 38.000 -0.114 0.000 1.491 296 I HN -0.061 nan 8.210 nan 0.000 0.652 297 T N 2.159 116.692 114.554 -0.036 0.000 2.883 297 T HA 0.344 4.694 4.350 0.001 0.000 0.301 297 T C -0.182 174.503 174.700 -0.026 0.000 1.158 297 T CA -0.324 61.760 62.100 -0.026 0.000 1.007 297 T CB 1.872 70.733 68.868 -0.013 0.000 1.186 297 T HN 0.224 nan 8.240 nan 0.000 0.499 298 T N 3.307 117.846 114.554 -0.026 0.000 2.907 298 T HA 0.573 4.923 4.350 0.001 0.000 0.298 298 T C 0.453 175.137 174.700 -0.028 0.000 1.017 298 T CA -0.181 61.905 62.100 -0.023 0.000 1.118 298 T CB 0.727 69.582 68.868 -0.022 0.000 0.948 298 T HN 0.913 nan 8.240 nan 0.000 0.531 299 T N -0.205 114.334 114.554 -0.026 0.000 2.773 299 T HA 0.457 4.808 4.350 0.001 0.000 0.278 299 T C 0.831 175.510 174.700 -0.034 0.000 1.011 299 T CA -1.070 61.009 62.100 -0.034 0.000 1.014 299 T CB 1.357 70.208 68.868 -0.028 0.000 1.293 299 T HN 0.392 nan 8.240 nan 0.000 0.554 300 K N 0.107 120.484 120.400 -0.039 0.000 2.504 300 K HA 0.068 4.388 4.320 0.001 0.000 0.195 300 K C 1.762 178.345 176.600 -0.027 0.000 1.036 300 K CA 0.477 56.743 56.287 -0.036 0.000 0.984 300 K CB 0.051 32.526 32.500 -0.041 0.000 0.788 300 K HN 0.446 nan 8.250 nan 0.000 0.488 301 K N 0.179 120.563 120.400 -0.025 0.000 2.168 301 K HA 0.056 4.377 4.320 0.001 0.000 0.201 301 K C 1.131 177.721 176.600 -0.016 0.000 1.049 301 K CA 0.728 57.001 56.287 -0.023 0.000 0.974 301 K CB 0.614 33.097 32.500 -0.028 0.000 0.792 301 K HN 0.169 nan 8.250 nan 0.000 0.463 302 G N -0.071 108.723 108.800 -0.010 0.000 2.548 302 G HA2 0.247 4.207 3.960 0.001 0.000 0.301 302 G HA3 0.247 4.207 3.960 0.001 0.000 0.301 302 G C -1.612 173.292 174.900 0.006 0.000 1.349 302 G CA -0.440 44.662 45.100 0.003 0.000 0.792 302 G HN -0.071 nan 8.290 nan 0.000 0.481 303 S N -1.230 114.482 115.700 0.020 0.000 2.473 303 S HA 0.679 5.149 4.470 0.001 0.000 0.307 303 S C -0.668 173.941 174.600 0.015 0.000 1.094 303 S CA -0.468 57.741 58.200 0.014 0.000 1.070 303 S CB 1.335 64.548 63.200 0.021 0.000 1.019 303 S HN 0.841 nan 8.310 nan 0.000 0.480 304 V N 4.369 124.276 119.914 -0.011 0.000 2.407 304 V HA 0.435 4.555 4.120 0.001 0.000 0.291 304 V C -0.186 175.861 176.094 -0.078 0.000 1.018 304 V CA -0.749 61.529 62.300 -0.037 0.000 0.842 304 V CB 1.689 33.489 31.823 -0.038 0.000 0.996 304 V HN 0.863 nan 8.190 nan 0.000 0.426 305 T N 3.704 118.183 114.554 -0.124 0.000 2.832 305 T HA 0.358 4.709 4.350 0.001 0.000 0.313 305 T C 0.311 174.847 174.700 -0.273 0.000 1.035 305 T CA -0.301 61.694 62.100 -0.174 0.000 0.950 305 T CB 0.573 69.332 68.868 -0.180 0.000 0.984 305 T HN 0.836 nan 8.240 nan 0.000 0.486 306 S N 2.291 117.844 115.700 -0.244 0.000 2.541 306 S HA 0.707 5.178 4.470 0.001 0.000 0.283 306 S C -0.279 174.127 174.600 -0.324 0.000 1.196 306 S CA -0.795 57.226 58.200 -0.299 0.000 1.062 306 S CB 1.322 64.395 63.200 -0.211 0.000 1.009 306 S HN 0.361 nan 8.310 nan 0.000 0.502 307 V N 3.182 122.864 119.914 -0.388 0.000 2.407 307 V HA 0.424 4.544 4.120 0.001 0.000 0.291 307 V C -0.584 175.424 176.094 -0.143 0.000 1.018 307 V CA -0.524 61.626 62.300 -0.251 0.000 0.842 307 V CB 1.239 32.961 31.823 -0.169 0.000 0.996 307 V HN 0.964 nan 8.190 nan 0.000 0.426 308 Q N 2.967 122.688 119.800 -0.132 0.000 2.333 308 Q HA 0.754 5.095 4.340 0.001 0.000 0.267 308 Q C -0.254 175.675 176.000 -0.118 0.000 1.012 308 Q CA -0.574 55.152 55.803 -0.129 0.000 0.824 308 Q CB 2.566 31.200 28.738 -0.174 0.000 1.290 308 Q HN 0.875 nan 8.270 nan 0.000 0.449 309 A N 2.390 125.171 122.820 -0.065 0.000 2.362 309 A HA 0.485 4.806 4.320 0.001 0.000 0.276 309 A C -0.379 177.125 177.584 -0.134 0.000 1.153 309 A CA -0.390 51.614 52.037 -0.055 0.000 0.813 309 A CB 0.410 19.442 19.000 0.053 0.000 1.081 309 A HN 0.504 nan 8.150 nan 0.000 0.507 310 V N 4.268 124.011 119.914 -0.285 0.000 2.326 310 V HA 0.160 4.280 4.120 0.001 0.000 0.281 310 V C -0.404 175.547 176.094 -0.238 0.000 1.015 310 V CA -0.533 61.526 62.300 -0.403 0.000 0.823 310 V CB 0.399 31.529 31.823 -1.155 0.000 1.009 310 V HN 0.819 nan 8.190 nan 0.000 0.436 311 Y N 5.019 125.215 120.300 -0.173 0.000 2.480 311 Y HA 0.411 4.962 4.550 0.001 0.000 0.338 311 Y C 0.008 175.664 175.900 -0.406 0.000 1.220 311 Y CA 0.220 58.166 58.100 -0.257 0.000 1.430 311 Y CB 1.113 39.416 38.460 -0.263 0.000 1.311 311 Y HN 0.378 nan 8.280 nan 0.000 0.575 312 V N 8.604 127.873 119.914 -1.074 0.000 2.357 312 V HA 0.277 4.397 4.120 0.001 0.000 0.281 312 V C -2.326 173.196 176.094 -0.953 0.000 1.015 312 V CA -2.074 59.800 62.300 -0.710 0.000 0.827 312 V CB 1.091 32.731 31.823 -0.305 0.000 1.018 312 V HN 0.726 nan 8.190 nan 0.000 0.432 313 P HA 0.084 nan 4.420 nan 0.000 0.262 313 P C 0.777 177.981 177.300 -0.159 0.000 1.182 313 P CA 0.971 63.911 63.100 -0.266 0.000 0.761 313 P CB 0.664 32.370 31.700 0.010 0.000 0.795 314 A N 3.564 126.346 122.820 -0.063 0.000 2.799 314 A HA -0.302 4.018 4.320 0.001 0.000 0.274 314 A C 1.128 178.674 177.584 -0.064 0.000 1.393 314 A CA 1.647 53.669 52.037 -0.025 0.000 0.909 314 A CB -2.516 16.490 19.000 0.011 0.000 1.012 314 A HN 0.609 nan 8.150 nan 0.000 0.653 315 D N -2.350 117.964 120.400 -0.142 0.000 2.792 315 D HA -0.161 4.479 4.640 0.001 0.000 0.192 315 D C -0.118 176.134 176.300 -0.080 0.000 1.007 315 D CA 1.948 55.877 54.000 -0.118 0.000 1.020 315 D CB -1.271 39.490 40.800 -0.064 0.000 1.089 315 D HN 0.928 nan 8.370 nan 0.000 0.438 316 D N 0.716 121.078 120.400 -0.063 0.000 2.342 316 D HA 0.072 4.713 4.640 0.001 0.000 0.260 316 D C 1.316 177.612 176.300 -0.006 0.000 1.278 316 D CA 0.031 54.018 54.000 -0.021 0.000 0.910 316 D CB 0.268 41.070 40.800 0.003 0.000 1.079 316 D HN 0.274 nan 8.370 nan 0.000 0.496 317 L N 3.139 124.375 121.223 0.021 0.000 2.610 317 L HA -0.043 4.297 4.340 0.001 0.000 0.232 317 L C 1.920 178.861 176.870 0.118 0.000 1.149 317 L CA 0.801 55.691 54.840 0.083 0.000 0.872 317 L CB -0.122 41.993 42.059 0.094 0.000 0.992 317 L HN 0.489 nan 8.230 nan 0.000 0.447 318 T N -5.936 108.664 114.554 0.076 0.000 3.023 318 T HA 0.012 4.362 4.350 0.001 0.000 0.253 318 T C 0.530 175.284 174.700 0.090 0.000 1.038 318 T CA -0.472 61.676 62.100 0.080 0.000 0.962 318 T CB -0.202 68.695 68.868 0.047 0.000 1.018 318 T HN 0.151 nan 8.240 nan 0.000 0.521 319 D N 3.060 123.518 120.400 0.096 0.000 2.531 319 D HA 0.072 4.712 4.640 0.001 0.000 0.239 319 D C -1.480 174.886 176.300 0.111 0.000 1.144 319 D CA -1.286 52.798 54.000 0.140 0.000 0.869 319 D CB 1.016 41.911 40.800 0.159 0.000 1.160 319 D HN 0.010 nan 8.370 nan 0.000 0.484 320 P HA -0.188 nan 4.420 nan 0.000 0.222 320 P C 0.412 177.625 177.300 -0.145 0.000 1.142 320 P CA 1.291 64.349 63.100 -0.070 0.000 0.788 320 P CB 0.140 31.741 31.700 -0.165 0.000 0.767 321 A N 0.532 123.275 122.820 -0.129 0.000 1.831 321 A HA -0.028 4.293 4.320 0.001 0.000 0.213 321 A C -0.113 177.535 177.584 0.106 0.000 1.223 321 A CA 1.436 53.473 52.037 0.000 0.000 0.604 321 A CB -1.979 17.206 19.000 0.309 0.000 0.878 321 A HN 0.175 nan 8.150 nan 0.000 0.450 322 P HA -0.168 nan 4.420 nan 0.000 0.216 322 P C 1.659 179.052 177.300 0.154 0.000 1.150 322 P CA 2.122 65.316 63.100 0.156 0.000 0.837 322 P CB -0.240 31.557 31.700 0.161 0.000 0.786 323 A N 0.386 123.320 122.820 0.191 0.000 1.884 323 A HA -0.221 4.099 4.320 0.001 0.000 0.219 323 A C 2.314 180.040 177.584 0.236 0.000 1.197 323 A CA 3.120 55.310 52.037 0.254 0.000 0.637 323 A CB -2.072 17.017 19.000 0.148 0.000 0.827 323 A HN 0.270 nan 8.150 nan 0.000 0.450 324 T N -0.648 113.995 114.554 0.148 0.000 3.035 324 T HA -0.035 4.316 4.350 0.001 0.000 0.268 324 T C 1.767 176.621 174.700 0.256 0.000 1.109 324 T CA 1.507 63.705 62.100 0.163 0.000 1.119 324 T CB -0.355 68.572 68.868 0.098 0.000 0.900 324 T HN 0.565 nan 8.240 nan 0.000 0.503 325 T N 1.767 116.449 114.554 0.213 0.000 2.857 325 T HA 0.036 4.386 4.350 0.001 0.000 0.266 325 T C 1.475 176.372 174.700 0.329 0.000 1.048 325 T CA 0.680 62.911 62.100 0.219 0.000 1.139 325 T CB -0.426 68.482 68.868 0.066 0.000 0.874 325 T HN 0.250 nan 8.240 nan 0.000 0.455 326 F N 2.160 122.306 119.950 0.326 0.000 2.043 326 F HA -0.121 4.406 4.527 0.001 0.000 0.297 326 F C 2.730 178.596 175.800 0.109 0.000 1.121 326 F CA 1.065 59.163 58.000 0.162 0.000 1.199 326 F CB -1.126 37.839 39.000 -0.060 0.000 0.968 326 F HN 0.137 nan 8.300 nan 0.000 0.478 327 A N -1.279 121.697 122.820 0.260 0.000 2.084 327 A HA -0.226 4.094 4.320 0.001 0.000 0.221 327 A C 1.863 179.440 177.584 -0.012 0.000 1.161 327 A CA 1.722 53.797 52.037 0.064 0.000 0.653 327 A CB -1.093 17.884 19.000 -0.039 0.000 0.802 327 A HN 0.555 nan 8.150 nan 0.000 0.457 328 H N -1.169 117.969 119.070 0.113 0.000 2.548 328 H HA 0.222 4.779 4.556 0.001 0.000 0.268 328 H C 0.097 175.461 175.328 0.060 0.000 0.975 328 H CA 0.420 56.510 56.048 0.069 0.000 1.195 328 H CB 0.009 29.799 29.762 0.046 0.000 1.397 328 H HN 0.365 nan 8.280 nan 0.000 0.572 329 L N 0.500 121.840 121.223 0.195 0.000 2.334 329 L HA 0.151 4.491 4.340 0.001 0.000 0.275 329 L C 1.030 177.959 176.870 0.098 0.000 1.036 329 L CA -0.543 54.382 54.840 0.141 0.000 0.807 329 L CB 1.611 43.788 42.059 0.197 0.000 1.231 329 L HN -0.078 nan 8.230 nan 0.000 0.438 330 D N 1.113 121.547 120.400 0.057 0.000 2.271 330 D HA 0.151 4.791 4.640 0.001 0.000 0.206 330 D C 0.264 176.601 176.300 0.062 0.000 0.967 330 D CA 0.656 54.684 54.000 0.045 0.000 0.867 330 D CB 0.850 41.663 40.800 0.021 0.000 0.960 330 D HN 0.535 nan 8.370 nan 0.000 0.509 331 A N 0.409 123.267 122.820 0.063 0.000 2.488 331 A HA 0.540 4.860 4.320 0.001 0.000 0.298 331 A C -0.668 176.991 177.584 0.125 0.000 1.044 331 A CA -0.629 51.471 52.037 0.105 0.000 0.693 331 A CB 1.609 20.695 19.000 0.144 0.000 1.272 331 A HN -0.031 nan 8.150 nan 0.000 0.402 332 T N -0.473 114.189 114.554 0.180 0.000 2.930 332 T HA 0.580 4.931 4.350 0.001 0.000 0.313 332 T C -0.470 174.358 174.700 0.213 0.000 1.019 332 T CA -0.381 61.862 62.100 0.238 0.000 1.004 332 T CB 0.771 69.800 68.868 0.269 0.000 0.987 332 T HN 0.484 nan 8.240 nan 0.000 0.456 333 T N 3.794 118.478 114.554 0.216 0.000 2.723 333 T HA 0.410 4.761 4.350 0.001 0.000 0.297 333 T C 0.291 175.059 174.700 0.113 0.000 0.925 333 T CA -0.462 61.712 62.100 0.125 0.000 1.030 333 T CB 0.399 69.282 68.868 0.026 0.000 0.905 333 T HN 0.634 nan 8.240 nan 0.000 0.502 334 V N 6.207 126.175 119.914 0.090 0.000 2.348 334 V HA 0.321 4.441 4.120 0.001 0.000 0.270 334 V C 0.255 176.369 176.094 0.033 0.000 1.037 334 V CA -0.779 61.579 62.300 0.096 0.000 0.872 334 V CB 0.432 32.291 31.823 0.060 0.000 1.002 334 V HN 0.748 nan 8.190 nan 0.000 0.464 335 L N 4.436 125.675 121.223 0.026 0.000 2.305 335 L HA 0.564 4.904 4.340 0.001 0.000 0.281 335 L C 0.521 177.391 176.870 0.001 0.000 1.085 335 L CA 0.243 55.084 54.840 0.000 0.000 0.813 335 L CB 1.584 43.645 42.059 0.003 0.000 1.157 335 L HN 0.729 nan 8.230 nan 0.000 0.436 336 S N 2.896 118.584 115.700 -0.021 0.000 2.503 336 S HA 0.381 4.852 4.470 0.001 0.000 0.301 336 S C 0.707 175.279 174.600 -0.046 0.000 1.087 336 S CA -0.803 57.378 58.200 -0.031 0.000 1.042 336 S CB 2.030 65.210 63.200 -0.035 0.000 1.043 336 S HN 0.735 nan 8.310 nan 0.000 0.489 337 R N 2.944 123.422 120.500 -0.036 0.000 2.075 337 R HA 0.013 4.354 4.340 0.001 0.000 0.232 337 R C 2.187 178.460 176.300 -0.045 0.000 1.126 337 R CA 1.899 57.979 56.100 -0.033 0.000 0.963 337 R CB -1.205 29.084 30.300 -0.018 0.000 0.858 337 R HN 0.883 nan 8.270 nan 0.000 0.435 338 G N 1.801 110.575 108.800 -0.044 0.000 2.513 338 G HA2 -0.264 3.697 3.960 0.001 0.000 0.219 338 G HA3 -0.264 3.697 3.960 0.001 0.000 0.219 338 G C 1.360 176.223 174.900 -0.060 0.000 1.160 338 G CA 1.017 46.090 45.100 -0.046 0.000 0.767 338 G HN 0.223 nan 8.290 nan 0.000 0.571 339 I N 2.063 122.587 120.570 -0.077 0.000 2.226 339 I HA -0.154 4.017 4.170 0.001 0.000 0.245 339 I C 3.125 179.133 176.117 -0.181 0.000 1.100 339 I CA 1.878 63.116 61.300 -0.102 0.000 1.374 339 I CB -1.252 36.690 38.000 -0.097 0.000 1.057 339 I HN 0.403 nan 8.210 nan 0.000 0.413 340 S N 0.383 115.942 115.700 -0.235 0.000 2.428 340 S HA -0.120 4.350 4.470 0.001 0.000 0.230 340 S C 1.613 176.129 174.600 -0.141 0.000 1.014 340 S CA 0.720 58.680 58.200 -0.401 0.000 0.957 340 S CB -0.428 62.591 63.200 -0.302 0.000 0.784 340 S HN 0.511 nan 8.310 nan 0.000 0.499 341 E N 0.747 120.912 120.200 -0.058 0.000 2.481 341 E HA 0.203 4.554 4.350 0.001 0.000 0.195 341 E C 1.201 177.800 176.600 -0.002 0.000 1.047 341 E CA 0.247 56.647 56.400 -0.000 0.000 0.867 341 E CB -0.109 29.592 29.700 0.001 0.000 0.858 341 E HN 0.582 nan 8.360 nan 0.000 0.513 342 L N -0.791 120.415 121.223 -0.028 0.000 2.592 342 L HA 0.242 4.582 4.340 0.001 0.000 0.227 342 L C 1.272 178.137 176.870 -0.009 0.000 1.127 342 L CA 0.278 55.105 54.840 -0.021 0.000 0.884 342 L CB -0.023 42.022 42.059 -0.023 0.000 1.065 342 L HN 0.221 nan 8.230 nan 0.000 0.457 343 G N 1.146 109.966 108.800 0.033 0.000 2.143 343 G HA2 -0.238 3.723 3.960 0.001 0.000 0.248 343 G HA3 -0.238 3.723 3.960 0.001 0.000 0.248 343 G C 0.173 175.232 174.900 0.265 0.000 0.991 343 G CA -0.319 44.893 45.100 0.187 0.000 0.689 343 G HN 0.191 nan 8.290 nan 0.000 0.522 344 I N 0.745 121.333 120.570 0.032 0.000 2.337 344 I HA 0.451 4.621 4.170 0.001 0.000 0.291 344 I C -0.028 175.961 176.117 -0.213 0.000 1.046 344 I CA -0.714 60.629 61.300 0.071 0.000 1.324 344 I CB -0.001 38.018 38.000 0.032 0.000 1.409 344 I HN 0.076 nan 8.210 nan 0.000 0.494 345 Y N 7.209 127.543 120.300 0.056 0.000 2.425 345 Y HA 0.420 4.971 4.550 0.001 0.000 0.344 345 Y C -2.093 173.684 175.900 -0.204 0.000 0.969 345 Y CA -2.338 55.732 58.100 -0.049 0.000 1.052 345 Y CB 2.143 40.563 38.460 -0.067 0.000 1.215 345 Y HN 0.414 nan 8.280 nan 0.000 0.451 346 P HA 0.106 nan 4.420 nan 0.000 0.275 346 P C -0.377 176.969 177.300 0.077 0.000 1.228 346 P CA -0.222 62.974 63.100 0.160 0.000 0.786 346 P CB 1.187 33.168 31.700 0.467 0.000 0.927 347 A N 3.240 126.060 122.820 -0.000 0.000 2.604 347 A HA 0.163 4.484 4.320 0.001 0.000 0.248 347 A C 0.542 178.112 177.584 -0.024 0.000 1.466 347 A CA -0.233 51.730 52.037 -0.123 0.000 1.222 347 A CB -1.285 17.581 19.000 -0.225 0.000 0.945 347 A HN 0.378 nan 8.150 nan 0.000 0.600 348 V N 1.547 121.482 119.914 0.036 0.000 2.446 348 V HA -0.003 4.118 4.120 0.001 0.000 0.276 348 V C 0.476 176.576 176.094 0.009 0.000 1.030 348 V CA -0.366 61.953 62.300 0.032 0.000 1.033 348 V CB 0.606 32.479 31.823 0.083 0.000 0.993 348 V HN 0.580 nan 8.190 nan 0.000 0.477 349 D N 8.996 129.394 120.400 -0.004 0.000 2.342 349 D HA 0.091 4.732 4.640 0.001 0.000 0.260 349 D C -1.022 175.269 176.300 -0.014 0.000 1.278 349 D CA -1.890 52.101 54.000 -0.014 0.000 0.910 349 D CB 1.583 42.370 40.800 -0.022 0.000 1.079 349 D HN 0.298 nan 8.370 nan 0.000 0.496 350 P HA -0.074 nan 4.420 nan 0.000 0.226 350 P C 1.486 178.765 177.300 -0.036 0.000 1.153 350 P CA 0.551 63.636 63.100 -0.024 0.000 0.777 350 P CB 0.526 32.215 31.700 -0.019 0.000 0.794 351 L N -0.744 120.457 121.223 -0.037 0.000 2.253 351 L HA 0.089 4.430 4.340 0.001 0.000 0.205 351 L C 2.202 179.036 176.870 -0.059 0.000 1.078 351 L CA 1.019 55.831 54.840 -0.047 0.000 0.805 351 L CB -0.597 41.434 42.059 -0.046 0.000 0.963 351 L HN -0.109 nan 8.230 nan 0.000 0.459 352 D N -0.412 119.952 120.400 -0.060 0.000 2.333 352 D HA -0.006 4.634 4.640 0.001 0.000 0.208 352 D C 0.547 176.804 176.300 -0.072 0.000 0.984 352 D CA 0.233 54.183 54.000 -0.083 0.000 0.873 352 D CB 0.357 41.108 40.800 -0.081 0.000 0.935 352 D HN 0.009 nan 8.370 nan 0.000 0.521 353 S N 0.507 116.189 115.700 -0.030 0.000 2.545 353 S HA 0.360 4.831 4.470 0.001 0.000 0.275 353 S C 0.061 174.661 174.600 0.001 0.000 1.299 353 S CA -0.272 57.933 58.200 0.008 0.000 1.048 353 S CB 1.472 64.694 63.200 0.035 0.000 0.938 353 S HN 0.045 nan 8.310 nan 0.000 0.496 354 K N 1.072 121.486 120.400 0.024 0.000 2.512 354 K HA 0.679 5.000 4.320 0.001 0.000 0.263 354 K C -1.002 175.633 176.600 0.059 0.000 0.966 354 K CA -0.740 55.555 56.287 0.013 0.000 0.851 354 K CB 2.193 34.675 32.500 -0.031 0.000 1.395 354 K HN 0.490 nan 8.250 nan 0.000 0.440 355 S N 0.209 115.938 115.700 0.049 0.000 2.546 355 S HA 0.239 4.709 4.470 0.001 0.000 0.272 355 S C 0.160 174.790 174.600 0.050 0.000 1.140 355 S CA -0.680 57.563 58.200 0.072 0.000 0.920 355 S CB 1.738 64.995 63.200 0.095 0.000 1.083 355 S HN 0.724 nan 8.310 nan 0.000 0.476 356 R N 2.761 123.291 120.500 0.050 0.000 2.193 356 R HA 0.109 4.449 4.340 0.001 0.000 0.229 356 R C 1.097 177.417 176.300 0.034 0.000 1.110 356 R CA 1.140 57.262 56.100 0.037 0.000 0.988 356 R CB -0.133 30.187 30.300 0.034 0.000 0.871 356 R HN 0.683 nan 8.270 nan 0.000 0.458 357 L N 0.367 121.613 121.223 0.037 0.000 2.554 357 L HA 0.079 4.420 4.340 0.001 0.000 0.225 357 L C 0.323 177.197 176.870 0.006 0.000 1.104 357 L CA -0.233 54.620 54.840 0.021 0.000 0.866 357 L CB 0.196 42.270 42.059 0.025 0.000 1.047 357 L HN 0.118 nan 8.230 nan 0.000 0.468 358 L N 1.938 123.175 121.223 0.022 0.000 2.536 358 L HA 0.171 4.512 4.340 0.001 0.000 0.282 358 L C -0.718 176.248 176.870 0.161 0.000 1.174 358 L CA 0.687 55.549 54.840 0.036 0.000 0.989 358 L CB -0.365 41.698 42.059 0.006 0.000 1.311 358 L HN 0.012 nan 8.230 nan 0.000 0.455 359 D N 2.630 123.128 120.400 0.162 0.000 2.878 359 D HA 0.336 4.976 4.640 0.001 0.000 0.211 359 D C 0.506 176.806 176.300 0.001 0.000 1.271 359 D CA 0.117 54.169 54.000 0.086 0.000 0.845 359 D CB 1.695 42.503 40.800 0.013 0.000 1.679 359 D HN 0.344 nan 8.370 nan 0.000 0.536 360 A N 3.114 125.804 122.820 -0.218 0.000 1.917 360 A HA 0.025 4.345 4.320 0.001 0.000 0.219 360 A C 2.034 179.565 177.584 -0.088 0.000 1.182 360 A CA 2.221 54.144 52.037 -0.190 0.000 0.633 360 A CB -0.829 17.956 19.000 -0.357 0.000 0.819 360 A HN 0.804 nan 8.150 nan 0.000 0.448 361 A N -1.346 121.419 122.820 -0.092 0.000 2.225 361 A HA 0.201 4.522 4.320 0.001 0.000 0.215 361 A C 1.802 179.367 177.584 -0.032 0.000 1.164 361 A CA 1.706 53.711 52.037 -0.054 0.000 0.710 361 A CB -0.310 18.659 19.000 -0.052 0.000 0.780 361 A HN 0.435 nan 8.150 nan 0.000 0.473 362 V N -1.586 118.310 119.914 -0.031 0.000 3.137 362 V HA -0.026 4.095 4.120 0.001 0.000 0.236 362 V C 1.970 178.044 176.094 -0.033 0.000 1.260 362 V CA 1.177 63.462 62.300 -0.025 0.000 1.244 362 V CB 0.831 32.640 31.823 -0.024 0.000 1.016 362 V HN 0.476 nan 8.190 nan 0.000 0.477 363 V N -1.289 118.588 119.914 -0.062 0.000 3.621 363 V HA 0.736 4.856 4.120 0.001 0.000 0.285 363 V C 0.780 176.890 176.094 0.027 0.000 1.346 363 V CA 0.292 62.528 62.300 -0.106 0.000 1.104 363 V CB -0.563 30.962 31.823 -0.497 0.000 0.913 363 V HN 0.842 nan 8.190 nan 0.000 0.432 364 G N 0.708 109.528 108.800 0.034 0.000 2.733 364 G HA2 -0.234 3.726 3.960 0.001 0.000 0.686 364 G HA3 -0.234 3.726 3.960 0.001 0.000 0.686 364 G C -0.079 174.881 174.900 0.100 0.000 1.373 364 G CA 0.333 45.471 45.100 0.063 0.000 0.838 364 G HN 0.508 nan 8.290 nan 0.000 0.588 365 Q N -0.094 119.751 119.800 0.075 0.000 2.124 365 Q HA -0.034 4.306 4.340 0.001 0.000 0.202 365 Q C 2.414 178.515 176.000 0.168 0.000 0.977 365 Q CA 2.699 58.556 55.803 0.090 0.000 0.850 365 Q CB -0.189 28.575 28.738 0.043 0.000 0.901 365 Q HN 0.816 nan 8.270 nan 0.000 0.429 366 E N -1.175 119.113 120.200 0.146 0.000 2.015 366 E HA -0.271 4.079 4.350 0.001 0.000 0.191 366 E C 1.923 178.638 176.600 0.191 0.000 0.991 366 E CA 1.087 57.574 56.400 0.145 0.000 0.802 366 E CB -0.339 29.426 29.700 0.108 0.000 0.759 366 E HN 0.515 nan 8.360 nan 0.000 0.447 367 H N -0.154 118.970 119.070 0.089 0.000 2.321 367 H HA -0.238 4.318 4.556 0.001 0.000 0.295 367 H C 1.918 177.289 175.328 0.073 0.000 1.102 367 H CA 2.158 58.247 56.048 0.070 0.000 1.266 367 H CB -0.731 29.069 29.762 0.064 0.000 1.363 367 H HN 0.373 nan 8.280 nan 0.000 0.492 368 Y N 1.559 121.977 120.300 0.196 0.000 2.097 368 Y HA -0.219 4.332 4.550 0.001 0.000 0.282 368 Y C 2.230 178.182 175.900 0.087 0.000 1.152 368 Y CA 2.219 60.376 58.100 0.095 0.000 1.136 368 Y CB -0.287 38.190 38.460 0.028 0.000 0.975 368 Y HN 0.197 nan 8.280 nan 0.000 0.498 369 D N -0.588 119.957 120.400 0.240 0.000 2.144 369 D HA -0.176 4.465 4.640 0.001 0.000 0.199 369 D C 2.397 178.718 176.300 0.035 0.000 0.984 369 D CA 1.585 55.669 54.000 0.141 0.000 0.834 369 D CB -0.504 40.392 40.800 0.161 0.000 0.955 369 D HN 0.316 nan 8.370 nan 0.000 0.465 370 V N 1.437 121.381 119.914 0.050 0.000 2.295 370 V HA -0.245 3.875 4.120 0.001 0.000 0.246 370 V C 2.562 178.637 176.094 -0.032 0.000 1.049 370 V CA 1.825 64.143 62.300 0.030 0.000 1.024 370 V CB -0.917 30.929 31.823 0.039 0.000 0.648 370 V HN 0.192 nan 8.190 nan 0.000 0.447 371 A N -0.435 122.341 122.820 -0.074 0.000 1.892 371 A HA -0.263 4.057 4.320 0.001 0.000 0.218 371 A C 2.502 179.980 177.584 -0.178 0.000 1.188 371 A CA 2.543 54.494 52.037 -0.143 0.000 0.631 371 A CB -0.844 18.080 19.000 -0.127 0.000 0.822 371 A HN 0.500 nan 8.150 nan 0.000 0.447 372 S N -0.870 114.685 115.700 -0.242 0.000 2.348 372 S HA -0.162 4.308 4.470 0.001 0.000 0.221 372 S C 2.069 176.618 174.600 -0.084 0.000 1.033 372 S CA 1.683 59.760 58.200 -0.206 0.000 1.010 372 S CB -0.255 62.813 63.200 -0.221 0.000 0.891 372 S HN 0.643 nan 8.310 nan 0.000 0.442 373 K N 0.811 121.188 120.400 -0.040 0.000 2.057 373 K HA -0.061 4.259 4.320 0.001 0.000 0.207 373 K C 1.981 178.583 176.600 0.003 0.000 1.049 373 K CA 1.052 57.339 56.287 -0.001 0.000 0.931 373 K CB -0.272 32.244 32.500 0.026 0.000 0.714 373 K HN 0.136 nan 8.250 nan 0.000 0.440 374 V N 1.654 121.565 119.914 -0.005 0.000 2.282 374 V HA -0.332 3.788 4.120 0.001 0.000 0.249 374 V C 2.305 178.392 176.094 -0.012 0.000 1.057 374 V CA 1.962 64.264 62.300 0.004 0.000 1.032 374 V CB -0.489 31.298 31.823 -0.060 0.000 0.645 374 V HN 0.454 nan 8.190 nan 0.000 0.447 375 Q N -0.845 118.927 119.800 -0.046 0.000 2.119 375 Q HA -0.226 4.114 4.340 0.001 0.000 0.201 375 Q C 2.312 178.304 176.000 -0.015 0.000 0.972 375 Q CA 1.631 57.409 55.803 -0.041 0.000 0.847 375 Q CB -0.134 28.562 28.738 -0.070 0.000 0.903 375 Q HN 0.706 nan 8.270 nan 0.000 0.433 376 E N -0.251 119.943 120.200 -0.010 0.000 2.047 376 E HA -0.131 4.219 4.350 0.001 0.000 0.191 376 E C 2.023 178.638 176.600 0.024 0.000 0.987 376 E CA 1.511 57.914 56.400 0.005 0.000 0.799 376 E CB 0.100 29.803 29.700 0.006 0.000 0.752 376 E HN 0.314 nan 8.360 nan 0.000 0.449 377 T N 1.774 116.347 114.554 0.030 0.000 2.684 377 T HA -0.177 4.173 4.350 0.001 0.000 0.267 377 T C 1.982 176.729 174.700 0.078 0.000 1.036 377 T CA 1.035 63.161 62.100 0.044 0.000 1.148 377 T CB -0.288 68.603 68.868 0.038 0.000 0.863 377 T HN 0.091 nan 8.240 nan 0.000 0.436 378 L N 0.627 121.898 121.223 0.079 0.000 2.093 378 L HA -0.109 4.232 4.340 0.001 0.000 0.208 378 L C 2.901 179.831 176.870 0.100 0.000 1.085 378 L CA 1.191 56.104 54.840 0.123 0.000 0.755 378 L CB -0.523 41.584 42.059 0.081 0.000 0.904 378 L HN 0.232 nan 8.230 nan 0.000 0.435 379 Q N -0.066 119.762 119.800 0.047 0.000 2.079 379 Q HA -0.151 4.190 4.340 0.001 0.000 0.200 379 Q C 2.045 178.064 176.000 0.033 0.000 0.974 379 Q CA 2.219 58.033 55.803 0.018 0.000 0.840 379 Q CB -0.344 28.393 28.738 -0.002 0.000 0.898 379 Q HN 0.297 nan 8.270 nan 0.000 0.430 380 T N 0.237 114.825 114.554 0.056 0.000 2.635 380 T HA -0.216 4.135 4.350 0.001 0.000 0.267 380 T C 1.250 176.019 174.700 0.114 0.000 1.040 380 T CA 1.622 63.762 62.100 0.066 0.000 1.156 380 T CB -0.716 68.189 68.868 0.061 0.000 0.863 380 T HN 0.449 nan 8.240 nan 0.000 0.430 381 Y N 2.087 122.381 120.300 -0.009 0.000 2.165 381 Y HA -0.130 4.421 4.550 0.000 0.000 0.286 381 Y C 2.386 178.279 175.900 -0.011 0.000 1.155 381 Y CA 1.371 59.465 58.100 -0.009 0.000 1.164 381 Y CB -0.501 37.953 38.460 -0.009 0.000 0.978 381 Y HN 0.090 nan 8.280 nan 0.000 0.513 382 K N -0.435 119.894 120.400 -0.119 0.000 2.057 382 K HA -0.142 4.178 4.320 0.001 0.000 0.207 382 K C 2.136 178.657 176.600 -0.133 0.000 1.049 382 K CA 1.632 57.788 56.287 -0.219 0.000 0.931 382 K CB -0.118 32.303 32.500 -0.132 0.000 0.714 382 K HN 0.365 nan 8.250 nan 0.000 0.440 383 S N 1.234 116.900 115.700 -0.057 0.000 2.382 383 S HA -0.106 4.365 4.470 0.001 0.000 0.228 383 S C 1.660 176.246 174.600 -0.024 0.000 1.027 383 S CA 0.970 59.150 58.200 -0.033 0.000 0.991 383 S CB -0.144 63.051 63.200 -0.009 0.000 0.823 383 S HN 0.278 nan 8.310 nan 0.000 0.469 384 L N 0.949 122.172 121.223 -0.000 0.000 2.612 384 L HA 0.174 4.514 4.340 0.001 0.000 0.230 384 L C 2.228 179.107 176.870 0.014 0.000 1.140 384 L CA 0.218 55.075 54.840 0.029 0.000 0.896 384 L CB -0.285 41.825 42.059 0.085 0.000 1.065 384 L HN 0.277 nan 8.230 nan 0.000 0.447 385 Q N -0.064 119.701 119.800 -0.058 0.000 2.435 385 Q HA -0.148 4.193 4.340 0.001 0.000 0.207 385 Q C 1.083 177.058 176.000 -0.041 0.000 0.956 385 Q CA 0.994 56.746 55.803 -0.084 0.000 0.917 385 Q CB 0.329 28.948 28.738 -0.199 0.000 0.997 385 Q HN 0.390 nan 8.270 nan 0.000 0.497 386 D N -0.872 119.509 120.400 -0.030 0.000 2.301 386 D HA 0.002 4.643 4.640 0.001 0.000 0.206 386 D C 1.058 177.355 176.300 -0.005 0.000 0.979 386 D CA 0.445 54.433 54.000 -0.019 0.000 0.874 386 D CB 0.256 41.043 40.800 -0.022 0.000 0.968 386 D HN 0.202 nan 8.370 nan 0.000 0.510 387 I N 0.867 121.438 120.570 0.003 0.000 2.546 387 I HA -0.142 4.028 4.170 0.001 0.000 0.255 387 I C 1.939 178.066 176.117 0.018 0.000 1.163 387 I CA 0.451 61.757 61.300 0.011 0.000 1.457 387 I CB -0.002 38.007 38.000 0.015 0.000 1.092 387 I HN -0.008 nan 8.210 nan 0.000 0.434 388 I N 0.657 121.242 120.570 0.025 0.000 2.226 388 I HA -0.281 3.890 4.170 0.001 0.000 0.245 388 I C 2.663 178.792 176.117 0.021 0.000 1.100 388 I CA 1.657 62.978 61.300 0.035 0.000 1.374 388 I CB -1.603 36.432 38.000 0.058 0.000 1.057 388 I HN 0.205 nan 8.210 nan 0.000 0.413 389 A N 1.179 124.005 122.820 0.010 0.000 1.828 389 A HA -0.174 4.146 4.320 0.001 0.000 0.215 389 A C 2.287 179.873 177.584 0.005 0.000 1.203 389 A CA 1.654 53.694 52.037 0.004 0.000 0.614 389 A CB -0.940 18.058 19.000 -0.004 0.000 0.844 389 A HN 0.287 nan 8.150 nan 0.000 0.445 390 I N -0.769 119.803 120.570 0.003 0.000 2.252 390 I HA -0.145 4.026 4.170 0.001 0.000 0.245 390 I C 1.663 177.783 176.117 0.005 0.000 1.102 390 I CA 1.245 62.547 61.300 0.003 0.000 1.385 390 I CB -0.079 37.922 38.000 0.001 0.000 1.064 390 I HN 0.219 nan 8.210 nan 0.000 0.414 391 L N -0.570 120.657 121.223 0.007 0.000 2.906 391 L HA 0.458 4.798 4.340 0.001 0.000 0.255 391 L C 0.778 177.654 176.870 0.010 0.000 1.166 391 L CA -0.218 54.627 54.840 0.008 0.000 0.977 391 L CB -0.200 41.864 42.059 0.008 0.000 1.313 391 L HN 0.305 nan 8.230 nan 0.000 0.549 392 G N 0.525 109.332 108.800 0.013 0.000 2.819 392 G HA2 -0.349 3.611 3.960 0.001 0.000 0.682 392 G HA3 -0.349 3.611 3.960 0.001 0.000 0.682 392 G C 0.266 175.178 174.900 0.020 0.000 1.481 392 G CA 0.081 45.190 45.100 0.015 0.000 0.904 392 G HN 0.104 nan 8.290 nan 0.000 0.563 393 M N 0.402 120.016 119.600 0.022 0.000 2.260 393 M HA -0.045 4.436 4.480 0.001 0.000 0.261 393 M C 1.702 178.011 176.300 0.016 0.000 1.066 393 M CA 2.863 58.178 55.300 0.024 0.000 1.082 393 M CB -0.625 31.987 32.600 0.021 0.000 1.388 393 M HN 0.716 nan 8.290 nan 0.000 0.419 394 D N -0.458 119.949 120.400 0.012 0.000 2.219 394 D HA -0.162 4.478 4.640 0.001 0.000 0.205 394 D C 1.597 177.902 176.300 0.008 0.000 0.970 394 D CA 0.924 54.928 54.000 0.008 0.000 0.851 394 D CB -0.050 40.754 40.800 0.006 0.000 0.943 394 D HN 0.471 nan 8.370 nan 0.000 0.488 395 E N -0.634 119.572 120.200 0.011 0.000 2.502 395 E HA 0.052 4.403 4.350 0.001 0.000 0.194 395 E C 0.008 176.614 176.600 0.011 0.000 1.062 395 E CA -0.108 56.298 56.400 0.010 0.000 0.867 395 E CB 0.026 29.732 29.700 0.010 0.000 0.888 395 E HN 0.184 nan 8.360 nan 0.000 0.510 396 L N 0.982 122.212 121.223 0.013 0.000 2.452 396 L HA 0.124 4.465 4.340 0.001 0.000 0.267 396 L C 0.966 177.842 176.870 0.009 0.000 1.188 396 L CA 0.272 55.121 54.840 0.014 0.000 0.821 396 L CB 0.691 42.760 42.059 0.017 0.000 1.102 396 L HN 0.140 nan 8.230 nan 0.000 0.470 397 S N 1.817 117.523 115.700 0.009 0.000 2.641 397 S HA 0.175 4.646 4.470 0.001 0.000 0.261 397 S C 1.028 175.631 174.600 0.005 0.000 1.257 397 S CA -0.613 57.591 58.200 0.007 0.000 0.983 397 S CB 0.995 64.199 63.200 0.007 0.000 0.990 397 S HN 0.543 nan 8.310 nan 0.000 0.572 398 E N 0.758 120.960 120.200 0.004 0.000 2.007 398 E HA -0.266 4.085 4.350 0.001 0.000 0.203 398 E C 2.045 178.646 176.600 0.001 0.000 1.020 398 E CA 1.748 58.150 56.400 0.002 0.000 0.845 398 E CB -0.744 28.957 29.700 0.002 0.000 0.779 398 E HN 0.869 nan 8.360 nan 0.000 0.466 399 Q N 0.533 120.335 119.800 0.003 0.000 2.167 399 Q HA -0.170 4.171 4.340 0.001 0.000 0.202 399 Q C 1.559 177.560 176.000 0.002 0.000 0.970 399 Q CA 1.272 57.077 55.803 0.003 0.000 0.855 399 Q CB 0.083 28.825 28.738 0.005 0.000 0.911 399 Q HN 0.191 nan 8.270 nan 0.000 0.438 400 D N 0.728 121.131 120.400 0.006 0.000 2.084 400 D HA -0.138 4.502 4.640 0.001 0.000 0.196 400 D C 1.747 178.048 176.300 0.001 0.000 0.985 400 D CA 1.013 55.019 54.000 0.010 0.000 0.826 400 D CB -0.024 40.786 40.800 0.017 0.000 0.978 400 D HN 0.227 nan 8.370 nan 0.000 0.456 401 K N 0.230 120.628 120.400 -0.002 0.000 2.034 401 K HA -0.207 4.114 4.320 0.001 0.000 0.214 401 K C 2.168 178.750 176.600 -0.029 0.000 1.051 401 K CA 0.873 57.153 56.287 -0.013 0.000 0.931 401 K CB -0.334 32.161 32.500 -0.008 0.000 0.715 401 K HN 0.021 nan 8.250 nan 0.000 0.446 402 L N 1.064 122.274 121.223 -0.022 0.000 2.017 402 L HA -0.180 4.160 4.340 0.001 0.000 0.208 402 L C 2.066 178.912 176.870 -0.041 0.000 1.073 402 L CA 1.981 56.805 54.840 -0.028 0.000 0.745 402 L CB -0.881 41.169 42.059 -0.015 0.000 0.894 402 L HN 0.129 nan 8.230 nan 0.000 0.432 403 T N -0.918 113.618 114.554 -0.030 0.000 2.652 403 T HA -0.184 4.167 4.350 0.001 0.000 0.267 403 T C 1.975 176.630 174.700 -0.075 0.000 1.039 403 T CA 1.817 63.898 62.100 -0.031 0.000 1.153 403 T CB -0.458 68.409 68.868 -0.002 0.000 0.863 403 T HN 0.212 nan 8.240 nan 0.000 0.428 404 V N 1.455 121.319 119.914 -0.084 0.000 2.324 404 V HA -0.231 3.889 4.120 0.001 0.000 0.250 404 V C 2.464 178.371 176.094 -0.311 0.000 1.060 404 V CA 1.885 64.062 62.300 -0.204 0.000 1.042 404 V CB -0.631 31.133 31.823 -0.099 0.000 0.650 404 V HN 0.564 nan 8.190 nan 0.000 0.450 405 E N -0.527 119.565 120.200 -0.181 0.000 2.110 405 E HA -0.191 4.160 4.350 0.001 0.000 0.193 405 E C 2.489 178.984 176.600 -0.175 0.000 0.988 405 E CA 0.986 57.289 56.400 -0.162 0.000 0.804 405 E CB -0.156 29.491 29.700 -0.089 0.000 0.745 405 E HN 0.507 nan 8.360 nan 0.000 0.458 406 R N 0.167 120.581 120.500 -0.144 0.000 2.115 406 R HA -0.007 4.334 4.340 0.001 0.000 0.226 406 R C 2.288 178.490 176.300 -0.163 0.000 1.100 406 R CA 0.816 56.835 56.100 -0.136 0.000 0.980 406 R CB -0.153 30.106 30.300 -0.069 0.000 0.875 406 R HN 0.100 nan 8.270 nan 0.000 0.445 407 A N 1.587 124.294 122.820 -0.188 0.000 1.858 407 A HA -0.180 4.141 4.320 0.001 0.000 0.216 407 A C 2.097 179.553 177.584 -0.214 0.000 1.190 407 A CA 1.153 53.084 52.037 -0.175 0.000 0.617 407 A CB -0.425 18.436 19.000 -0.231 0.000 0.827 407 A HN 0.209 nan 8.150 nan 0.000 0.443 408 R N -0.163 120.109 120.500 -0.379 0.000 2.133 408 R HA -0.205 4.135 4.340 0.001 0.000 0.247 408 R C 2.219 178.418 176.300 -0.169 0.000 1.151 408 R CA 1.984 57.933 56.100 -0.253 0.000 0.971 408 R CB -0.347 29.795 30.300 -0.263 0.000 0.866 408 R HN 0.555 nan 8.270 nan 0.000 0.447 409 K N 0.462 120.689 120.400 -0.288 0.000 1.984 409 K HA -0.062 4.259 4.320 0.001 0.000 0.209 409 K C 2.107 178.451 176.600 -0.428 0.000 1.046 409 K CA 1.292 57.233 56.287 -0.577 0.000 0.934 409 K CB -0.209 31.668 32.500 -1.038 0.000 0.717 409 K HN 0.070 nan 8.250 nan 0.000 0.438 410 I N 1.530 121.960 120.570 -0.232 0.000 2.194 410 I HA -0.372 3.799 4.170 0.001 0.000 0.246 410 I C 2.806 179.040 176.117 0.196 0.000 1.093 410 I CA 1.381 62.733 61.300 0.087 0.000 1.355 410 I CB -0.282 37.818 38.000 0.167 0.000 1.046 410 I HN 0.317 nan 8.210 nan 0.000 0.413 411 Q N 0.795 120.656 119.800 0.101 0.000 2.096 411 Q HA -0.247 4.094 4.340 0.001 0.000 0.204 411 Q C 2.334 178.435 176.000 0.169 0.000 0.982 411 Q CA 1.782 57.665 55.803 0.134 0.000 0.850 411 Q CB 0.047 28.861 28.738 0.126 0.000 0.901 411 Q HN 0.431 nan 8.270 nan 0.000 0.422 412 R N -1.026 119.573 120.500 0.165 0.000 2.161 412 R HA -0.038 4.302 4.340 0.001 0.000 0.213 412 R C 1.871 178.397 176.300 0.377 0.000 1.055 412 R CA 0.527 56.789 56.100 0.270 0.000 0.996 412 R CB -0.050 30.401 30.300 0.252 0.000 0.901 412 R HN 0.208 nan 8.270 nan 0.000 0.456 413 F N 0.830 120.856 119.950 0.126 0.000 2.502 413 F HA 0.039 4.566 4.527 0.001 0.000 0.298 413 F C 1.254 177.209 175.800 0.258 0.000 1.111 413 F CA 0.836 58.919 58.000 0.139 0.000 1.445 413 F CB 0.061 39.002 39.000 -0.098 0.000 1.081 413 F HN -0.068 nan 8.300 nan 0.000 0.558 414 L N -0.469 120.951 121.223 0.328 0.000 2.509 414 L HA 0.042 4.382 4.340 0.001 0.000 0.222 414 L C 1.315 178.253 176.870 0.114 0.000 1.123 414 L CA 0.177 55.131 54.840 0.190 0.000 0.856 414 L CB -0.602 41.539 42.059 0.136 0.000 0.985 414 L HN 0.020 nan 8.230 nan 0.000 0.456 415 S N -0.323 115.460 115.700 0.139 0.000 2.593 415 S HA 0.361 4.831 4.470 0.001 0.000 0.269 415 S C -0.310 174.278 174.600 -0.020 0.000 1.334 415 S CA -0.488 57.747 58.200 0.059 0.000 1.015 415 S CB 1.773 65.040 63.200 0.112 0.000 0.912 415 S HN 0.265 nan 8.310 nan 0.000 0.541 416 Q N 0.714 120.438 119.800 -0.127 0.000 2.327 416 Q HA 0.356 4.697 4.340 0.001 0.000 0.265 416 Q C -3.088 172.772 176.000 -0.233 0.000 0.993 416 Q CA -1.903 53.819 55.803 -0.134 0.000 0.885 416 Q CB 2.360 31.067 28.738 -0.051 0.000 1.379 416 Q HN 0.532 nan 8.270 nan 0.000 0.408 417 P HA 0.160 nan 4.420 nan 0.000 0.275 417 P C -0.912 176.443 177.300 0.090 0.000 1.276 417 P CA -0.045 63.012 63.100 -0.071 0.000 0.782 417 P CB 0.073 31.747 31.700 -0.043 0.000 0.851 418 F N 2.130 122.081 119.950 0.001 0.000 2.389 418 F HA 0.284 4.812 4.527 0.001 0.000 0.337 418 F C 1.906 177.694 175.800 -0.021 0.000 1.112 418 F CA -1.126 56.862 58.000 -0.020 0.000 1.192 418 F CB -0.027 38.964 39.000 -0.015 0.000 1.185 418 F HN 0.370 nan 8.300 nan 0.000 0.552 419 A N 2.482 125.392 122.820 0.150 0.000 1.933 419 A HA -0.076 4.244 4.320 0.001 0.000 0.218 419 A C 1.987 179.589 177.584 0.031 0.000 1.175 419 A CA 1.715 53.782 52.037 0.050 0.000 0.628 419 A CB -0.897 18.103 19.000 0.000 0.000 0.814 419 A HN 0.540 nan 8.150 nan 0.000 0.444 420 V N -0.682 119.259 119.914 0.045 0.000 2.970 420 V HA -0.032 4.089 4.120 0.001 0.000 0.260 420 V C 2.358 178.495 176.094 0.073 0.000 1.100 420 V CA 1.362 63.681 62.300 0.031 0.000 1.122 420 V CB -0.779 31.056 31.823 0.020 0.000 0.721 420 V HN 0.568 nan 8.190 nan 0.000 0.483 421 A N -0.502 122.417 122.820 0.164 0.000 2.379 421 A HA 0.115 4.436 4.320 0.001 0.000 0.236 421 A C 1.967 179.567 177.584 0.026 0.000 1.272 421 A CA 0.380 52.554 52.037 0.230 0.000 0.886 421 A CB -0.286 18.909 19.000 0.325 0.000 0.962 421 A HN 0.531 nan 8.150 nan 0.000 0.504 422 E N 0.214 120.377 120.200 -0.061 0.000 2.110 422 E HA -0.172 4.179 4.350 0.001 0.000 0.193 422 E C 1.738 178.248 176.600 -0.149 0.000 0.988 422 E CA 1.832 58.185 56.400 -0.078 0.000 0.804 422 E CB -0.127 29.534 29.700 -0.065 0.000 0.745 422 E HN 0.543 nan 8.360 nan 0.000 0.458 423 V N -1.453 118.267 119.914 -0.323 0.000 3.141 423 V HA -0.091 4.030 4.120 0.001 0.000 0.265 423 V C 1.484 177.375 176.094 -0.340 0.000 1.126 423 V CA 0.991 63.071 62.300 -0.366 0.000 1.141 423 V CB -0.726 30.826 31.823 -0.452 0.000 0.743 423 V HN 0.139 nan 8.190 nan 0.000 0.492 424 F N 2.016 121.943 119.950 -0.037 0.000 2.754 424 F HA 0.183 4.711 4.527 0.001 0.000 0.297 424 F C 2.333 178.098 175.800 -0.060 0.000 1.122 424 F CA 0.904 58.866 58.000 -0.064 0.000 1.400 424 F CB -0.691 38.236 39.000 -0.121 0.000 1.117 424 F HN 0.381 nan 8.300 nan 0.000 0.587 425 T N -4.957 109.645 114.554 0.081 0.000 3.098 425 T HA 0.470 4.821 4.350 0.001 0.000 0.246 425 T C 2.003 176.718 174.700 0.025 0.000 0.983 425 T CA 0.731 62.859 62.100 0.047 0.000 1.094 425 T CB 0.160 69.038 68.868 0.017 0.000 1.035 425 T HN 0.261 nan 8.240 nan 0.000 0.456 426 G N 1.870 110.669 108.800 -0.001 0.000 2.253 426 G HA2 -0.204 3.756 3.960 0.001 0.000 0.251 426 G HA3 -0.204 3.756 3.960 0.001 0.000 0.251 426 G C 0.098 174.993 174.900 -0.008 0.000 0.998 426 G CA 0.169 45.266 45.100 -0.006 0.000 0.621 426 G HN 0.706 nan 8.290 nan 0.000 0.524 427 I N 2.925 123.490 120.570 -0.008 0.000 2.474 427 I HA 0.326 4.497 4.170 0.001 0.000 0.287 427 I C -1.782 174.327 176.117 -0.015 0.000 1.048 427 I CA -2.198 59.093 61.300 -0.015 0.000 1.383 427 I CB 1.121 39.101 38.000 -0.033 0.000 1.412 427 I HN -0.102 nan 8.210 nan 0.000 0.531 428 P HA 0.063 nan 4.420 nan 0.000 0.268 428 P C 0.037 177.338 177.300 0.002 0.000 1.205 428 P CA -0.225 62.870 63.100 -0.008 0.000 0.771 428 P CB 0.441 32.135 31.700 -0.009 0.000 0.858 429 G N 2.765 111.574 108.800 0.014 0.000 2.432 429 G HA2 0.227 4.188 3.960 0.001 0.000 0.239 429 G HA3 0.227 4.188 3.960 0.001 0.000 0.239 429 G C -0.397 174.524 174.900 0.035 0.000 1.291 429 G CA -0.123 45.002 45.100 0.042 0.000 0.863 429 G HN 0.247 nan 8.290 nan 0.000 0.560 430 K N 1.076 121.510 120.400 0.055 0.000 2.397 430 K HA 0.424 4.744 4.320 0.001 0.000 0.253 430 K C -1.079 175.557 176.600 0.060 0.000 0.932 430 K CA -0.733 55.579 56.287 0.042 0.000 0.795 430 K CB 2.289 34.805 32.500 0.027 0.000 1.159 430 K HN 0.391 nan 8.250 nan 0.000 0.424 431 L N 3.363 124.607 121.223 0.035 0.000 2.319 431 L HA 0.449 4.790 4.340 0.001 0.000 0.281 431 L C -0.995 175.887 176.870 0.019 0.000 1.005 431 L CA -0.838 54.017 54.840 0.026 0.000 0.828 431 L CB 1.458 43.519 42.059 0.005 0.000 1.227 431 L HN 0.235 nan 8.230 nan 0.000 0.415 432 V N 4.455 124.381 119.914 0.020 0.000 2.547 432 V HA 0.573 4.694 4.120 0.001 0.000 0.299 432 V C 0.011 176.110 176.094 0.008 0.000 1.040 432 V CA -0.981 61.327 62.300 0.014 0.000 0.913 432 V CB 1.543 33.371 31.823 0.008 0.000 0.992 432 V HN 0.638 nan 8.190 nan 0.000 0.449 433 R N 2.444 122.950 120.500 0.010 0.000 2.490 433 R HA 0.324 4.665 4.340 0.001 0.000 0.278 433 R C 1.081 177.385 176.300 0.007 0.000 1.069 433 R CA -0.525 55.581 56.100 0.011 0.000 1.080 433 R CB 0.658 30.967 30.300 0.015 0.000 1.030 433 R HN 0.772 nan 8.270 nan 0.000 0.491 434 L N 2.561 123.790 121.223 0.010 0.000 2.046 434 L HA -0.202 4.138 4.340 0.001 0.000 0.208 434 L C 1.875 178.736 176.870 -0.016 0.000 1.077 434 L CA 1.772 56.614 54.840 0.003 0.000 0.747 434 L CB -0.032 42.052 42.059 0.042 0.000 0.896 434 L HN 0.537 nan 8.230 nan 0.000 0.432 435 K N -0.402 120.003 120.400 0.008 0.000 2.147 435 K HA -0.155 4.165 4.320 0.001 0.000 0.205 435 K C 1.610 178.215 176.600 0.009 0.000 1.049 435 K CA 1.438 57.730 56.287 0.008 0.000 0.936 435 K CB -0.220 32.296 32.500 0.026 0.000 0.722 435 K HN 0.471 nan 8.250 nan 0.000 0.446 436 D N 0.348 120.758 120.400 0.017 0.000 2.103 436 D HA -0.089 4.552 4.640 0.001 0.000 0.199 436 D C 1.888 178.214 176.300 0.044 0.000 0.978 436 D CA 1.278 55.297 54.000 0.032 0.000 0.829 436 D CB -0.448 40.370 40.800 0.030 0.000 0.981 436 D HN 0.117 nan 8.370 nan 0.000 0.464 437 T N 1.327 115.896 114.554 0.026 0.000 2.665 437 T HA -0.136 4.214 4.350 0.001 0.000 0.268 437 T C 2.307 177.074 174.700 0.111 0.000 1.035 437 T CA 1.219 63.356 62.100 0.061 0.000 1.151 437 T CB -0.507 68.351 68.868 -0.018 0.000 0.862 437 T HN -0.020 nan 8.240 nan 0.000 0.438 438 V N 1.928 121.818 119.914 -0.041 0.000 2.237 438 V HA -0.159 3.961 4.120 0.001 0.000 0.245 438 V C 2.980 179.112 176.094 0.062 0.000 1.046 438 V CA 1.663 63.918 62.300 -0.075 0.000 1.007 438 V CB -1.489 30.200 31.823 -0.223 0.000 0.638 438 V HN 0.556 nan 8.190 nan 0.000 0.445 439 A N 0.148 123.000 122.820 0.054 0.000 1.915 439 A HA -0.308 4.012 4.320 0.001 0.000 0.220 439 A C 2.457 180.114 177.584 0.121 0.000 1.198 439 A CA 2.871 54.957 52.037 0.082 0.000 0.647 439 A CB -0.946 18.094 19.000 0.066 0.000 0.825 439 A HN 0.555 nan 8.150 nan 0.000 0.456 440 S N -1.085 114.696 115.700 0.135 0.000 2.345 440 S HA -0.070 4.400 4.470 0.001 0.000 0.220 440 S C 1.655 176.346 174.600 0.153 0.000 1.031 440 S CA 1.497 59.779 58.200 0.136 0.000 0.996 440 S CB -0.576 62.726 63.200 0.169 0.000 0.882 440 S HN 0.535 nan 8.310 nan 0.000 0.445 441 F N 1.929 121.969 119.950 0.151 0.000 2.186 441 F HA 0.000 4.528 4.527 0.001 0.000 0.299 441 F C 2.359 178.221 175.800 0.104 0.000 1.090 441 F CA 1.078 59.163 58.000 0.141 0.000 1.307 441 F CB -0.255 38.766 39.000 0.034 0.000 1.019 441 F HN 0.095 nan 8.300 nan 0.000 0.489 442 K N 0.575 121.124 120.400 0.247 0.000 2.032 442 K HA -0.225 4.095 4.320 0.001 0.000 0.209 442 K C 2.256 178.950 176.600 0.158 0.000 1.048 442 K CA 1.417 57.803 56.287 0.164 0.000 0.927 442 K CB -0.335 32.237 32.500 0.121 0.000 0.712 442 K HN 0.214 nan 8.250 nan 0.000 0.441 443 A N 0.588 123.516 122.820 0.180 0.000 1.877 443 A HA -0.109 4.212 4.320 0.001 0.000 0.216 443 A C 2.254 179.992 177.584 0.258 0.000 1.186 443 A CA 1.704 53.877 52.037 0.226 0.000 0.620 443 A CB -0.699 18.502 19.000 0.336 0.000 0.822 443 A HN 0.181 nan 8.150 nan 0.000 0.443 444 V N 0.182 120.234 119.914 0.231 0.000 2.332 444 V HA -0.285 3.835 4.120 0.001 0.000 0.248 444 V C 2.540 178.709 176.094 0.125 0.000 1.055 444 V CA 2.015 64.424 62.300 0.183 0.000 1.038 444 V CB -0.837 31.002 31.823 0.027 0.000 0.651 444 V HN 0.567 nan 8.190 nan 0.000 0.450 445 L N -0.251 121.048 121.223 0.127 0.000 2.191 445 L HA -0.186 4.155 4.340 0.001 0.000 0.212 445 L C 2.322 179.236 176.870 0.073 0.000 1.103 445 L CA 1.461 56.358 54.840 0.096 0.000 0.769 445 L CB -0.490 41.635 42.059 0.109 0.000 0.908 445 L HN 0.428 nan 8.230 nan 0.000 0.438 446 E N -0.319 119.930 120.200 0.082 0.000 2.502 446 E HA 0.028 4.378 4.350 0.001 0.000 0.194 446 E C 1.350 177.970 176.600 0.035 0.000 1.062 446 E CA 0.469 56.902 56.400 0.054 0.000 0.867 446 E CB 0.078 29.811 29.700 0.054 0.000 0.888 446 E HN 0.504 nan 8.360 nan 0.000 0.510 447 G N 2.067 110.896 108.800 0.049 0.000 2.153 447 G HA2 -0.368 3.593 3.960 0.001 0.000 0.252 447 G HA3 -0.368 3.593 3.960 0.001 0.000 0.252 447 G C 0.757 175.651 174.900 -0.009 0.000 0.994 447 G CA 0.583 45.701 45.100 0.029 0.000 0.698 447 G HN 0.286 nan 8.290 nan 0.000 0.521 448 K N -0.942 119.434 120.400 -0.040 0.000 2.555 448 K HA 0.089 4.410 4.320 0.001 0.000 0.193 448 K C 0.371 176.630 176.600 -0.568 0.000 1.032 448 K CA 0.868 56.986 56.287 -0.281 0.000 1.004 448 K CB 0.113 32.411 32.500 -0.337 0.000 0.804 448 K HN 0.614 nan 8.250 nan 0.000 0.496 449 Y N -0.431 119.882 120.300 0.022 0.000 2.685 449 Y HA 0.132 4.682 4.550 0.001 0.000 0.257 449 Y C 0.342 176.292 175.900 0.083 0.000 1.053 449 Y CA -0.641 57.484 58.100 0.041 0.000 1.106 449 Y CB 0.564 39.060 38.460 0.060 0.000 1.193 449 Y HN -0.059 nan 8.280 nan 0.000 0.602 450 D N 0.193 120.663 120.400 0.116 0.000 2.289 450 D HA -0.088 4.552 4.640 0.001 0.000 0.207 450 D C 1.384 177.727 176.300 0.073 0.000 0.966 450 D CA 0.858 54.909 54.000 0.086 0.000 0.868 450 D CB 0.030 40.849 40.800 0.032 0.000 0.943 450 D HN 0.446 nan 8.370 nan 0.000 0.514 451 N N 0.692 119.423 118.700 0.052 0.000 2.434 451 N HA -0.034 4.706 4.740 0.001 0.000 0.196 451 N C 0.119 175.656 175.510 0.045 0.000 1.183 451 N CA 0.016 53.086 53.050 0.033 0.000 0.849 451 N CB -0.029 38.460 38.487 0.004 0.000 0.992 451 N HN 0.158 nan 8.380 nan 0.000 0.460 452 I N 2.112 122.735 120.570 0.087 0.000 2.336 452 I HA 0.286 4.457 4.170 0.001 0.000 0.292 452 I C -2.020 174.166 176.117 0.114 0.000 0.991 452 I CA -2.429 58.904 61.300 0.055 0.000 1.227 452 I CB 1.709 39.698 38.000 -0.018 0.000 1.366 452 I HN -0.131 nan 8.210 nan 0.000 0.466 453 P HA 0.071 nan 4.420 nan 0.000 0.270 453 P C 0.171 177.583 177.300 0.187 0.000 1.223 453 P CA -0.087 63.075 63.100 0.104 0.000 0.785 453 P CB 0.907 32.646 31.700 0.065 0.000 0.923 454 E N 0.299 120.624 120.200 0.210 0.000 2.058 454 E HA -0.261 4.089 4.350 0.001 0.000 0.194 454 E C 1.720 178.505 176.600 0.308 0.000 0.997 454 E CA 1.401 57.970 56.400 0.283 0.000 0.801 454 E CB -0.490 29.300 29.700 0.150 0.000 0.746 454 E HN 0.609 nan 8.360 nan 0.000 0.450 455 H N -0.180 118.965 119.070 0.124 0.000 2.541 455 H HA -0.019 4.537 4.556 0.001 0.000 0.289 455 H C 1.533 176.923 175.328 0.103 0.000 1.054 455 H CA 1.063 57.185 56.048 0.123 0.000 1.250 455 H CB 0.078 29.885 29.762 0.075 0.000 1.369 455 H HN 0.171 nan 8.280 nan 0.000 0.578 456 A N -1.048 121.777 122.820 0.009 0.000 2.169 456 A HA 0.038 4.359 4.320 0.001 0.000 0.212 456 A C 1.414 178.775 177.584 -0.373 0.000 1.153 456 A CA 0.391 52.295 52.037 -0.221 0.000 0.756 456 A CB -0.438 18.351 19.000 -0.353 0.000 0.813 456 A HN 0.409 nan 8.150 nan 0.000 0.471 457 F N -2.452 117.435 119.950 -0.105 0.000 2.698 457 F HA 0.194 4.722 4.527 0.001 0.000 0.295 457 F C 0.730 176.567 175.800 0.063 0.000 1.124 457 F CA -0.190 57.732 58.000 -0.130 0.000 1.426 457 F CB -0.004 38.900 39.000 -0.160 0.000 1.120 457 F HN 0.282 nan 8.300 nan 0.000 0.583 458 Y N 1.409 121.742 120.300 0.055 0.000 2.359 458 Y HA 0.343 4.894 4.550 0.001 0.000 0.334 458 Y C 0.629 176.508 175.900 -0.034 0.000 1.058 458 Y CA -1.758 56.344 58.100 0.004 0.000 1.244 458 Y CB 0.406 38.803 38.460 -0.104 0.000 1.187 458 Y HN 0.165 nan 8.280 nan 0.000 0.510 459 M N 5.188 124.431 119.600 -0.595 0.000 2.399 459 M HA -0.156 4.325 4.480 0.001 0.000 0.191 459 M C -1.650 174.514 176.300 -0.226 0.000 0.732 459 M CA 1.264 56.244 55.300 -0.534 0.000 0.512 459 M CB -1.321 30.772 32.600 -0.846 0.000 1.191 459 M HN 0.529 nan 8.290 nan 0.000 0.894 460 V N -2.344 117.526 119.914 -0.074 0.000 3.156 460 V HA 1.108 5.228 4.120 0.001 0.000 0.310 460 V C 0.667 176.794 176.094 0.054 0.000 1.234 460 V CA -0.225 62.071 62.300 -0.006 0.000 1.065 460 V CB 1.432 33.257 31.823 0.002 0.000 1.088 460 V HN 0.456 nan 8.190 nan 0.000 0.451 461 G N -0.248 108.588 108.800 0.060 0.000 3.380 461 G HA2 0.577 4.538 3.960 0.001 0.000 0.188 461 G HA3 0.577 4.538 3.960 0.001 0.000 0.188 461 G C 0.587 175.550 174.900 0.105 0.000 1.892 461 G CA -0.007 45.129 45.100 0.059 0.000 0.912 461 G HN 1.399 nan 8.290 nan 0.000 0.609 462 G N -0.737 108.112 108.800 0.082 0.000 2.525 462 G HA2 0.294 4.255 3.960 0.001 0.000 0.276 462 G HA3 0.294 4.255 3.960 0.001 0.000 0.276 462 G C 0.965 175.979 174.900 0.190 0.000 1.388 462 G CA 0.228 45.392 45.100 0.107 0.000 1.050 462 G HN 0.442 nan 8.290 nan 0.000 0.520 463 I N -0.529 120.117 120.570 0.127 0.000 2.353 463 I HA -0.035 4.135 4.170 0.001 0.000 0.248 463 I C 2.518 178.539 176.117 -0.159 0.000 1.119 463 I CA 1.469 62.739 61.300 -0.049 0.000 1.417 463 I CB -0.329 37.586 38.000 -0.141 0.000 1.078 463 I HN 0.646 nan 8.210 nan 0.000 0.421 464 E N 0.147 120.307 120.200 -0.067 0.000 2.209 464 E HA -0.245 4.106 4.350 0.001 0.000 0.196 464 E C 1.476 178.027 176.600 -0.081 0.000 0.993 464 E CA 1.356 57.718 56.400 -0.062 0.000 0.819 464 E CB -0.229 29.459 29.700 -0.021 0.000 0.745 464 E HN 0.548 nan 8.360 nan 0.000 0.477 465 D N 0.054 120.414 120.400 -0.068 0.000 2.219 465 D HA -0.088 4.553 4.640 0.001 0.000 0.205 465 D C 1.939 178.149 176.300 -0.150 0.000 0.970 465 D CA 0.446 54.402 54.000 -0.073 0.000 0.851 465 D CB 0.118 40.904 40.800 -0.024 0.000 0.943 465 D HN 0.001 nan 8.370 nan 0.000 0.488 466 V N 0.065 119.823 119.914 -0.261 0.000 2.283 466 V HA -0.180 3.940 4.120 0.001 0.000 0.243 466 V C 2.607 178.488 176.094 -0.355 0.000 1.039 466 V CA 0.885 62.908 62.300 -0.461 0.000 1.016 466 V CB -0.595 30.706 31.823 -0.870 0.000 0.650 466 V HN 0.047 nan 8.190 nan 0.000 0.449 467 V N 0.643 120.391 119.914 -0.277 0.000 2.317 467 V HA -0.348 3.773 4.120 0.001 0.000 0.251 467 V C 2.710 178.739 176.094 -0.108 0.000 1.065 467 V CA 2.421 64.635 62.300 -0.144 0.000 1.049 467 V CB -1.171 30.615 31.823 -0.062 0.000 0.651 467 V HN 0.581 nan 8.190 nan 0.000 0.450 468 A N -1.114 121.645 122.820 -0.102 0.000 1.968 468 A HA -0.187 4.134 4.320 0.001 0.000 0.217 468 A C 2.335 179.877 177.584 -0.069 0.000 1.169 468 A CA 1.769 53.765 52.037 -0.069 0.000 0.638 468 A CB -0.381 18.587 19.000 -0.054 0.000 0.812 468 A HN 0.498 nan 8.150 nan 0.000 0.446 469 K N -0.494 119.848 120.400 -0.098 0.000 2.296 469 K HA 0.131 4.452 4.320 0.001 0.000 0.200 469 K C 1.819 178.378 176.600 -0.069 0.000 1.048 469 K CA 0.739 56.979 56.287 -0.078 0.000 0.966 469 K CB -0.131 32.310 32.500 -0.098 0.000 0.754 469 K HN 0.390 nan 8.250 nan 0.000 0.466 470 A N 0.545 123.302 122.820 -0.105 0.000 2.119 470 A HA -0.051 4.269 4.320 0.001 0.000 0.216 470 A C 1.447 179.004 177.584 -0.045 0.000 1.152 470 A CA 0.904 52.890 52.037 -0.084 0.000 0.708 470 A CB -0.041 18.884 19.000 -0.125 0.000 0.805 470 A HN 0.313 nan 8.150 nan 0.000 0.460 471 E N -0.818 119.357 120.200 -0.041 0.000 2.276 471 E HA 0.020 4.370 4.350 0.001 0.000 0.193 471 E C 1.860 178.451 176.600 -0.016 0.000 0.983 471 E CA 0.476 56.861 56.400 -0.025 0.000 0.861 471 E CB 0.097 29.782 29.700 -0.025 0.000 0.817 471 E HN 0.557 nan 8.360 nan 0.000 0.485 472 K N 0.653 121.043 120.400 -0.016 0.000 2.155 472 K HA -0.038 4.282 4.320 0.001 0.000 0.203 472 K C 1.762 178.366 176.600 0.006 0.000 1.052 472 K CA 0.700 56.985 56.287 -0.004 0.000 0.948 472 K CB 0.167 32.666 32.500 -0.002 0.000 0.728 472 K HN 0.079 nan 8.250 nan 0.000 0.448 473 L N -0.144 121.084 121.223 0.009 0.000 2.179 473 L HA 0.004 4.345 4.340 0.001 0.000 0.208 473 L C 2.307 179.180 176.870 0.005 0.000 1.096 473 L CA 0.755 55.605 54.840 0.017 0.000 0.779 473 L CB -0.213 41.867 42.059 0.035 0.000 0.922 473 L HN 0.201 nan 8.230 nan 0.000 0.443 474 A N 0.137 122.955 122.820 -0.002 0.000 2.066 474 A HA 0.162 4.482 4.320 0.001 0.000 0.218 474 A C 1.486 179.068 177.584 -0.004 0.000 1.157 474 A CA 0.939 52.973 52.037 -0.005 0.000 0.670 474 A CB -0.431 18.564 19.000 -0.009 0.000 0.804 474 A HN 0.326 nan 8.150 nan 0.000 0.453 475 A N 0.000 122.818 122.820 -0.003 0.000 2.254 475 A HA 0.000 4.320 4.320 0.001 0.000 0.244 475 A CA 0.000 52.036 52.037 -0.002 0.000 0.836 475 A CB 0.000 18.999 19.000 -0.002 0.000 0.831 475 A HN 0.000 nan 8.150 nan 0.000 0.486