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 2vg8_1_A DATA FIRST_RESID 6 DATA SEQUENCE TPHVAIIPSP GMGHLIPLVE FAKRLVHLHG LTVTFVIAGE GPPSKAQRTV DATA SEQUENCE LDSLPSSISS VFLPPVDLTD LSSSTRIESR ISLTVTRSNP ELRKVFDSFV DATA SEQUENCE EGGRLPTALV VDLFGTDAFD VAVEFHVPPY IFYPTTANVL SFFLHLPKLD DATA SEQUENCE ETVSCEFREL TEPLMLPGCV PVAGKDFLDP AQDRKDDAYK WLLHNTKRYK DATA SEQUENCE EAEGILVNTF FELEPNAIKA LQEPGLDKPP VYPVGPLVNI GKQEXXXXXE DATA SEQUENCE SECLKWLDNQ PLGSVLYVSF GSGGTLTCEQ LNELALGLAD SEQRFLWVIR DATA SEQUENCE SPSGIANSSY FDSHSQTDPL TFLPPGFLER TKKRGFVIPF WAPQAQVLAH DATA SEQUENCE PSTGGFLTHC GWNSTLESVV SGIPLIAWPL YAEQKMNAVL LSEDIRAALR DATA SEQUENCE PRAGDDGLVR REEVARVVKG LMEGEEGKGV RNKMKELKEA ACRVLKDDGT DATA SEQUENCE STKALSLVAL KWKAHKKELE Q 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 T HA 0.000 nan 4.350 nan 0.000 0.228 6 T C 0.000 174.690 174.700 -0.016 0.000 1.109 6 T CA 0.000 62.095 62.100 -0.008 0.000 1.349 6 T CB 0.000 68.861 68.868 -0.011 0.000 0.612 7 P HA 0.193 nan 4.420 nan 0.000 0.265 7 P C -1.078 176.181 177.300 -0.068 0.000 1.193 7 P CA 0.036 63.115 63.100 -0.035 0.000 0.765 7 P CB 0.106 31.799 31.700 -0.012 0.000 0.823 8 H N 2.287 121.202 119.070 -0.258 0.000 2.488 8 H HA 0.422 4.985 4.556 0.013 0.000 0.322 8 H C -1.149 173.910 175.328 -0.449 0.000 1.078 8 H CA -0.902 54.936 56.048 -0.349 0.000 1.260 8 H CB 0.853 30.370 29.762 -0.407 0.000 1.425 8 H HN 0.075 nan 8.280 nan 0.000 0.471 9 V N 4.487 124.048 119.914 -0.589 0.000 2.417 9 V HA 0.433 4.560 4.120 0.013 0.000 0.291 9 V C 0.012 175.666 176.094 -0.734 0.000 1.024 9 V CA -0.699 61.173 62.300 -0.713 0.000 0.861 9 V CB 1.105 32.544 31.823 -0.641 0.000 0.985 9 V HN 0.898 nan 8.190 nan 0.000 0.436 10 A N 6.480 128.907 122.820 -0.655 0.000 2.290 10 A HA 0.860 5.187 4.320 0.013 0.000 0.310 10 A C -0.588 176.842 177.584 -0.256 0.000 1.202 10 A CA -0.416 51.366 52.037 -0.426 0.000 0.837 10 A CB 0.385 19.261 19.000 -0.207 0.000 1.139 10 A HN 0.782 nan 8.150 nan 0.000 0.509 11 I N 3.517 123.903 120.570 -0.306 0.000 2.406 11 I HA 0.302 4.479 4.170 0.013 0.000 0.290 11 I C -0.981 175.073 176.117 -0.106 0.000 0.999 11 I CA -0.556 60.576 61.300 -0.279 0.000 1.124 11 I CB 1.777 39.366 38.000 -0.686 0.000 1.289 11 I HN 0.377 nan 8.210 nan 0.000 0.441 12 I N 7.731 128.323 120.570 0.036 0.000 2.460 12 I HA 0.369 4.546 4.170 0.013 0.000 0.277 12 I C -2.435 173.768 176.117 0.144 0.000 1.057 12 I CA -2.905 58.459 61.300 0.106 0.000 1.179 12 I CB 0.183 38.249 38.000 0.111 0.000 1.329 12 I HN 0.179 nan 8.210 nan 0.000 0.478 13 P HA 0.252 nan 4.420 nan 0.000 0.277 13 P C 0.032 177.481 177.300 0.247 0.000 1.240 13 P CA -0.212 63.032 63.100 0.241 0.000 0.798 13 P CB 0.800 32.680 31.700 0.300 0.000 0.979 14 S N 1.688 117.571 115.700 0.305 0.000 2.610 14 S HA 0.526 5.004 4.470 0.013 0.000 0.273 14 S C -2.513 172.373 174.600 0.476 0.000 1.274 14 S CA -1.604 56.813 58.200 0.362 0.000 1.023 14 S CB -0.131 63.297 63.200 0.380 0.000 0.962 14 S HN 0.194 nan 8.310 nan 0.000 0.523 15 P HA 0.389 nan 4.420 nan 0.000 0.265 15 P C 0.154 177.600 177.300 0.243 0.000 1.187 15 P CA 0.977 64.284 63.100 0.346 0.000 0.766 15 P CB 0.118 32.117 31.700 0.498 0.000 0.820 16 G N 2.688 111.470 108.800 -0.029 0.000 2.542 16 G HA2 0.013 3.981 3.960 0.013 0.000 0.391 16 G HA3 0.013 3.981 3.960 0.013 0.000 0.391 16 G C 0.368 175.119 174.900 -0.249 0.000 1.551 16 G CA -0.712 44.143 45.100 -0.409 0.000 0.946 16 G HN 0.186 nan 8.290 nan 0.000 0.662 17 M N 1.599 121.046 119.600 -0.255 0.000 2.195 17 M HA -0.051 4.437 4.480 0.013 0.000 0.260 17 M C 2.488 178.812 176.300 0.040 0.000 1.066 17 M CA 2.244 57.514 55.300 -0.050 0.000 1.089 17 M CB -1.111 31.512 32.600 0.040 0.000 1.377 17 M HN 0.944 nan 8.290 nan 0.000 0.411 18 G N -1.790 107.008 108.800 -0.003 0.000 2.679 18 G HA2 -0.129 3.838 3.960 0.013 0.000 0.212 18 G HA3 -0.129 3.838 3.960 0.013 0.000 0.212 18 G C 1.183 176.244 174.900 0.268 0.000 1.137 18 G CA 0.303 45.485 45.100 0.137 0.000 0.787 18 G HN 0.593 nan 8.290 nan 0.000 0.534 19 H N -1.427 117.757 119.070 0.189 0.000 2.439 19 H HA 0.187 4.750 4.556 0.012 0.000 0.299 19 H C 2.220 177.649 175.328 0.169 0.000 1.033 19 H CA -0.019 56.151 56.048 0.203 0.000 1.348 19 H CB 0.289 30.185 29.762 0.224 0.000 1.449 19 H HN 0.218 nan 8.280 nan 0.000 0.544 20 L N 1.388 122.755 121.223 0.240 0.000 2.027 20 L HA -0.099 4.249 4.340 0.013 0.000 0.206 20 L C 2.004 178.946 176.870 0.119 0.000 1.074 20 L CA 1.340 56.276 54.840 0.160 0.000 0.745 20 L CB -0.536 41.567 42.059 0.074 0.000 0.898 20 L HN 0.250 nan 8.230 nan 0.000 0.433 21 I N 0.597 121.244 120.570 0.128 0.000 2.091 21 I HA -0.249 3.928 4.170 0.013 0.000 0.239 21 I C -0.333 175.869 176.117 0.142 0.000 1.061 21 I CA 1.883 63.259 61.300 0.127 0.000 1.317 21 I CB -1.692 36.400 38.000 0.154 0.000 1.031 21 I HN 0.296 nan 8.210 nan 0.000 0.401 22 P HA -0.131 nan 4.420 nan 0.000 0.219 22 P C 1.973 179.272 177.300 -0.002 0.000 1.150 22 P CA 1.492 64.704 63.100 0.187 0.000 0.814 22 P CB -0.018 31.903 31.700 0.369 0.000 0.787 23 L N -0.759 120.438 121.223 -0.043 0.000 2.093 23 L HA -0.113 4.235 4.340 0.013 0.000 0.208 23 L C 2.713 179.768 176.870 0.308 0.000 1.085 23 L CA 1.076 55.886 54.840 -0.049 0.000 0.755 23 L CB -0.895 41.249 42.059 0.143 0.000 0.904 23 L HN -0.168 nan 8.230 nan 0.000 0.435 24 V N -0.563 119.493 119.914 0.237 0.000 2.358 24 V HA -0.221 3.907 4.120 0.013 0.000 0.246 24 V C 2.517 178.710 176.094 0.165 0.000 1.047 24 V CA 1.493 63.902 62.300 0.180 0.000 1.035 24 V CB -0.419 31.383 31.823 -0.036 0.000 0.658 24 V HN 0.411 nan 8.190 nan 0.000 0.452 25 E N -0.280 120.010 120.200 0.150 0.000 2.085 25 E HA -0.241 4.116 4.350 0.013 0.000 0.194 25 E C 1.995 178.713 176.600 0.196 0.000 0.994 25 E CA 1.514 58.010 56.400 0.159 0.000 0.801 25 E CB -0.505 29.297 29.700 0.171 0.000 0.743 25 E HN 0.632 nan 8.360 nan 0.000 0.453 26 F N 1.627 121.587 119.950 0.016 0.000 2.075 26 F HA -0.178 4.357 4.527 0.012 0.000 0.297 26 F C 2.265 178.085 175.800 0.033 0.000 1.113 26 F CA 1.653 59.655 58.000 0.003 0.000 1.218 26 F CB -0.586 38.256 39.000 -0.263 0.000 0.984 26 F HN -0.011 nan 8.300 nan 0.000 0.472 27 A N 0.412 123.208 122.820 -0.040 0.000 1.908 27 A HA -0.239 4.089 4.320 0.013 0.000 0.218 27 A C 2.271 179.778 177.584 -0.128 0.000 1.181 27 A CA 2.062 54.012 52.037 -0.144 0.000 0.627 27 A CB -0.797 18.292 19.000 0.148 0.000 0.818 27 A HN 0.508 nan 8.150 nan 0.000 0.445 28 K N -1.005 119.371 120.400 -0.039 0.000 2.057 28 K HA -0.148 4.180 4.320 0.013 0.000 0.207 28 K C 2.367 178.917 176.600 -0.085 0.000 1.049 28 K CA 1.589 57.820 56.287 -0.094 0.000 0.931 28 K CB -0.162 32.364 32.500 0.042 0.000 0.714 28 K HN 0.401 nan 8.250 nan 0.000 0.440 29 R N 0.920 121.416 120.500 -0.007 0.000 2.081 29 R HA -0.046 4.302 4.340 0.013 0.000 0.235 29 R C 2.219 178.541 176.300 0.038 0.000 1.131 29 R CA 1.033 57.162 56.100 0.047 0.000 0.960 29 R CB -0.156 30.209 30.300 0.109 0.000 0.856 29 R HN 0.126 nan 8.270 nan 0.000 0.436 30 L N 0.167 121.327 121.223 -0.105 0.000 2.046 30 L HA -0.176 4.171 4.340 0.013 0.000 0.208 30 L C 2.416 179.263 176.870 -0.037 0.000 1.077 30 L CA 1.346 56.138 54.840 -0.081 0.000 0.747 30 L CB -0.562 41.315 42.059 -0.302 0.000 0.896 30 L HN 0.222 nan 8.230 nan 0.000 0.432 31 V N -3.833 115.997 119.914 -0.140 0.000 2.346 31 V HA -0.171 3.957 4.120 0.013 0.000 0.244 31 V C 2.399 178.433 176.094 -0.102 0.000 1.037 31 V CA 1.236 63.438 62.300 -0.163 0.000 1.029 31 V CB -0.861 30.796 31.823 -0.276 0.000 0.663 31 V HN 0.336 nan 8.190 nan 0.000 0.454 32 H N 0.380 119.437 119.070 -0.022 0.000 2.403 32 H HA 0.246 4.810 4.556 0.012 0.000 0.298 32 H C 2.128 177.408 175.328 -0.081 0.000 1.059 32 H CA 1.964 57.989 56.048 -0.038 0.000 1.363 32 H CB 0.065 29.811 29.762 -0.027 0.000 1.410 32 H HN 0.414 nan 8.280 nan 0.000 0.528 33 L N -0.659 120.556 121.223 -0.013 0.000 2.463 33 L HA 0.032 4.379 4.340 0.013 0.000 0.219 33 L C 1.414 177.972 176.870 -0.519 0.000 1.088 33 L CA 0.516 55.204 54.840 -0.254 0.000 0.849 33 L CB 0.180 42.057 42.059 -0.305 0.000 1.012 33 L HN 0.277 nan 8.230 nan 0.000 0.468 34 H N -1.134 117.930 119.070 -0.011 0.000 3.058 34 H HA 0.271 4.835 4.556 0.012 0.000 0.266 34 H C 1.378 176.698 175.328 -0.014 0.000 1.135 34 H CA 0.712 56.749 56.048 -0.019 0.000 1.174 34 H CB 1.192 30.932 29.762 -0.036 0.000 1.581 34 H HN 0.236 nan 8.280 nan 0.000 0.553 35 G N 1.895 110.725 108.800 0.049 0.000 2.153 35 G HA2 -0.273 3.694 3.960 0.013 0.000 0.252 35 G HA3 -0.273 3.694 3.960 0.013 0.000 0.252 35 G C 0.343 175.253 174.900 0.017 0.000 0.994 35 G CA 0.447 45.563 45.100 0.026 0.000 0.698 35 G HN 0.222 nan 8.290 nan 0.000 0.521 36 L N 0.172 121.404 121.223 0.015 0.000 2.479 36 L HA 0.687 5.034 4.340 0.013 0.000 0.249 36 L C 1.289 178.127 176.870 -0.053 0.000 1.178 36 L CA -0.005 54.827 54.840 -0.015 0.000 0.811 36 L CB 0.806 42.856 42.059 -0.015 0.000 1.187 36 L HN 0.392 nan 8.230 nan 0.000 0.480 37 T N -1.660 112.857 114.554 -0.062 0.000 2.912 37 T HA 0.725 5.083 4.350 0.013 0.000 0.288 37 T C -0.616 174.059 174.700 -0.041 0.000 1.030 37 T CA -0.694 61.369 62.100 -0.062 0.000 1.020 37 T CB 2.010 70.818 68.868 -0.099 0.000 1.056 37 T HN 0.241 nan 8.240 nan 0.000 0.480 38 V N 1.564 121.452 119.914 -0.042 0.000 2.760 38 V HA 0.644 4.771 4.120 0.013 0.000 0.309 38 V C -0.347 175.730 176.094 -0.027 0.000 1.077 38 V CA -0.769 61.466 62.300 -0.108 0.000 0.910 38 V CB 2.493 34.214 31.823 -0.171 0.000 1.008 38 V HN 1.174 nan 8.190 nan 0.000 0.424 39 T N 4.421 118.922 114.554 -0.089 0.000 2.809 39 T HA 0.598 4.955 4.350 0.013 0.000 0.284 39 T C -0.668 173.979 174.700 -0.088 0.000 0.992 39 T CA -0.164 61.956 62.100 0.035 0.000 0.957 39 T CB 0.696 69.681 68.868 0.194 0.000 0.942 39 T HN 0.286 nan 8.240 nan 0.000 0.439 40 F N 2.197 122.135 119.950 -0.021 0.000 2.427 40 F HA 0.437 4.972 4.527 0.012 0.000 0.352 40 F C 0.395 176.163 175.800 -0.053 0.000 1.100 40 F CA -0.531 57.444 58.000 -0.043 0.000 1.191 40 F CB 0.952 39.897 39.000 -0.092 0.000 1.128 40 F HN 0.171 nan 8.300 nan 0.000 0.533 41 V N 5.879 125.864 119.914 0.120 0.000 2.350 41 V HA 0.305 4.432 4.120 0.013 0.000 0.285 41 V C -0.156 175.980 176.094 0.069 0.000 1.014 41 V CA -0.655 61.691 62.300 0.078 0.000 0.831 41 V CB 1.123 33.020 31.823 0.123 0.000 1.000 41 V HN 0.417 nan 8.190 nan 0.000 0.433 42 I N 4.610 125.170 120.570 -0.017 0.000 2.307 42 I HA 0.583 4.761 4.170 0.013 0.000 0.289 42 I C 0.620 176.798 176.117 0.102 0.000 1.021 42 I CA -0.117 61.199 61.300 0.026 0.000 1.224 42 I CB 1.340 39.261 38.000 -0.132 0.000 1.376 42 I HN 0.641 nan 8.210 nan 0.000 0.470 43 A N 4.795 127.689 122.820 0.124 0.000 2.293 43 A HA 0.943 5.271 4.320 0.013 0.000 0.302 43 A C 0.396 178.066 177.584 0.144 0.000 1.119 43 A CA 0.027 52.136 52.037 0.120 0.000 0.823 43 A CB 1.326 20.386 19.000 0.099 0.000 1.097 43 A HN 0.929 nan 8.150 nan 0.000 0.491 44 G N -0.467 108.408 108.800 0.125 0.000 2.341 44 G HA2 0.428 4.396 3.960 0.013 0.000 0.299 44 G HA3 0.428 4.396 3.960 0.013 0.000 0.299 44 G C -0.429 174.522 174.900 0.085 0.000 1.274 44 G CA -0.234 44.945 45.100 0.131 0.000 0.853 44 G HN 0.527 nan 8.290 nan 0.000 0.493 45 E N -0.895 119.349 120.200 0.073 0.000 2.511 45 E HA 0.397 4.755 4.350 0.013 0.000 0.209 45 E C 0.796 177.417 176.600 0.036 0.000 0.986 45 E CA 0.459 56.878 56.400 0.031 0.000 0.974 45 E CB 1.443 31.137 29.700 -0.009 0.000 1.030 45 E HN 0.862 nan 8.360 nan 0.000 0.490 46 G N 1.591 110.425 108.800 0.057 0.000 2.495 46 G HA2 0.331 4.298 3.960 0.013 0.000 0.294 46 G HA3 0.331 4.298 3.960 0.013 0.000 0.294 46 G C -2.934 171.991 174.900 0.042 0.000 1.397 46 G CA -1.057 44.067 45.100 0.040 0.000 0.790 46 G HN -0.181 nan 8.290 nan 0.000 0.486 47 P HA 0.331 nan 4.420 nan 0.000 0.269 47 P C -2.194 175.099 177.300 -0.012 0.000 1.215 47 P CA -0.796 62.278 63.100 -0.044 0.000 0.780 47 P CB 0.010 31.657 31.700 -0.089 0.000 0.898 48 P HA 0.005 nan 4.420 nan 0.000 0.267 48 P C -0.189 177.103 177.300 -0.013 0.000 1.200 48 P CA -0.014 63.101 63.100 0.025 0.000 0.772 48 P CB 0.274 32.012 31.700 0.064 0.000 0.855 49 S N 0.274 115.972 115.700 -0.004 0.000 2.608 49 S HA 0.657 5.134 4.470 0.013 0.000 0.261 49 S C 0.286 174.844 174.600 -0.071 0.000 1.314 49 S CA -0.003 58.181 58.200 -0.026 0.000 0.992 49 S CB 0.390 63.575 63.200 -0.026 0.000 0.935 49 S HN 0.954 nan 8.310 nan 0.000 0.564 50 K N -0.941 119.411 120.400 -0.079 0.000 0.000 50 K HA 0.795 5.122 4.320 0.013 0.000 0.000 50 K C 0.558 177.039 176.600 -0.198 0.000 0.000 50 K CA -0.300 nan 56.287 nan 0.000 0.000 50 K CB -0.113 nan 32.500 nan 0.000 0.000 50 K HN 1.259 nan 8.250 nan 0.000 0.000 51 A N -0.106 122.523 122.820 -0.319 0.000 1.874 51 A HA -0.032 4.296 4.320 0.013 0.000 0.214 51 A C 2.088 179.524 177.584 -0.247 0.000 1.189 51 A CA 2.323 54.057 52.037 -0.505 0.000 0.615 51 A CB -0.360 18.072 19.000 -0.946 0.000 0.830 51 A HN 0.727 nan 8.150 nan 0.000 0.443 52 Q N -0.765 118.941 119.800 -0.157 0.000 2.046 52 Q HA -0.106 4.242 4.340 0.013 0.000 0.200 52 Q C 2.420 178.402 176.000 -0.029 0.000 0.975 52 Q CA 1.313 57.078 55.803 -0.063 0.000 0.836 52 Q CB -0.106 28.631 28.738 -0.001 0.000 0.896 52 Q HN 0.568 nan 8.270 nan 0.000 0.428 53 R N -0.227 120.254 120.500 -0.031 0.000 2.075 53 R HA -0.107 4.241 4.340 0.013 0.000 0.232 53 R C 2.598 178.888 176.300 -0.018 0.000 1.126 53 R CA 1.748 57.842 56.100 -0.009 0.000 0.963 53 R CB -0.412 29.869 30.300 -0.032 0.000 0.858 53 R HN 0.432 nan 8.270 nan 0.000 0.435 54 T N -1.071 113.460 114.554 -0.039 0.000 2.684 54 T HA -0.126 4.231 4.350 0.013 0.000 0.267 54 T C 2.030 176.729 174.700 -0.002 0.000 1.036 54 T CA 1.633 63.723 62.100 -0.017 0.000 1.148 54 T CB -0.686 68.171 68.868 -0.019 0.000 0.863 54 T HN -0.014 nan 8.240 nan 0.000 0.436 55 V N 1.557 121.464 119.914 -0.013 0.000 2.343 55 V HA 0.003 4.130 4.120 0.013 0.000 0.247 55 V C 2.708 178.767 176.094 -0.057 0.000 1.051 55 V CA 1.462 63.754 62.300 -0.014 0.000 1.036 55 V CB -0.721 31.097 31.823 -0.008 0.000 0.654 55 V HN 0.441 nan 8.190 nan 0.000 0.451 56 L N -0.674 120.510 121.223 -0.066 0.000 2.554 56 L HA 0.082 4.429 4.340 0.013 0.000 0.226 56 L C 0.470 177.321 176.870 -0.031 0.000 1.137 56 L CA 0.198 54.979 54.840 -0.097 0.000 0.863 56 L CB -0.192 41.824 42.059 -0.071 0.000 0.985 56 L HN 0.326 nan 8.230 nan 0.000 0.451 57 D N -0.163 120.234 120.400 -0.005 0.000 2.313 57 D HA 0.377 5.025 4.640 0.013 0.000 0.247 57 D C 1.062 177.370 176.300 0.014 0.000 1.094 57 D CA 0.975 54.982 54.000 0.012 0.000 0.925 57 D CB 1.297 42.104 40.800 0.012 0.000 1.188 57 D HN 0.133 nan 8.370 nan 0.000 0.430 58 S N 0.207 115.920 115.700 0.022 0.000 3.482 58 S HA -0.177 4.300 4.470 0.013 0.000 0.294 58 S C 0.425 175.048 174.600 0.037 0.000 1.244 58 S CA 0.514 58.731 58.200 0.028 0.000 0.911 58 S CB -2.167 nan 63.200 nan 0.000 1.070 58 S HN 0.375 nan 8.310 nan 0.000 0.614 59 L N 0.497 121.739 121.223 0.031 0.000 2.439 59 L HA 0.487 4.835 4.340 0.013 0.000 0.261 59 L C -1.567 175.330 176.870 0.046 0.000 1.153 59 L CA -1.981 52.880 54.840 0.036 0.000 0.808 59 L CB 0.018 42.087 42.059 0.016 0.000 1.126 59 L HN 0.102 nan 8.230 nan 0.000 0.460 60 P HA -0.024 nan 4.420 nan 0.000 0.267 60 P C 0.497 177.812 177.300 0.024 0.000 1.201 60 P CA -0.141 62.993 63.100 0.057 0.000 0.775 60 P CB 0.518 32.230 31.700 0.020 0.000 0.854 61 S N -0.592 115.125 115.700 0.027 0.000 2.474 61 S HA -0.105 4.372 4.470 0.013 0.000 0.235 61 S C 1.534 176.132 174.600 -0.004 0.000 0.997 61 S CA 1.070 59.279 58.200 0.015 0.000 0.949 61 S CB -0.948 62.260 63.200 0.014 0.000 0.766 61 S HN 0.347 nan 8.310 nan 0.000 0.517 62 S N 1.262 116.952 115.700 -0.016 0.000 2.547 62 S HA 0.232 4.709 4.470 0.013 0.000 0.235 62 S C 0.503 175.080 174.600 -0.038 0.000 0.980 62 S CA 0.439 58.615 58.200 -0.041 0.000 0.941 62 S CB -0.488 62.677 63.200 -0.057 0.000 0.763 62 S HN 0.589 nan 8.310 nan 0.000 0.532 63 I N 1.548 122.113 120.570 -0.008 0.000 2.354 63 I HA 0.288 4.465 4.170 0.013 0.000 0.286 63 I C -0.318 175.843 176.117 0.074 0.000 1.007 63 I CA -0.263 61.066 61.300 0.048 0.000 1.167 63 I CB 1.642 39.697 38.000 0.091 0.000 1.320 63 I HN -0.072 nan 8.210 nan 0.000 0.458 64 S N 3.378 119.132 115.700 0.090 0.000 2.681 64 S HA 0.618 5.095 4.470 0.013 0.000 0.299 64 S C -0.292 174.386 174.600 0.131 0.000 1.113 64 S CA -0.682 57.574 58.200 0.093 0.000 1.013 64 S CB 1.955 65.198 63.200 0.072 0.000 1.076 64 S HN 0.574 nan 8.310 nan 0.000 0.534 65 S N 1.043 116.790 115.700 0.078 0.000 2.532 65 S HA 0.595 5.073 4.470 0.013 0.000 0.299 65 S C -1.036 173.508 174.600 -0.094 0.000 1.105 65 S CA -0.651 57.516 58.200 -0.055 0.000 1.018 65 S CB 1.450 64.518 63.200 -0.218 0.000 1.021 65 S HN 0.445 nan 8.310 nan 0.000 0.483 66 V N 3.704 123.526 119.914 -0.153 0.000 2.448 66 V HA 0.525 4.653 4.120 0.013 0.000 0.295 66 V C -1.260 174.715 176.094 -0.199 0.000 1.025 66 V CA -0.625 61.643 62.300 -0.054 0.000 0.859 66 V CB 0.882 32.723 31.823 0.030 0.000 0.988 66 V HN 0.798 nan 8.190 nan 0.000 0.431 67 F N 4.649 124.641 119.950 0.070 0.000 2.385 67 F HA 0.543 5.077 4.527 0.012 0.000 0.360 67 F C 0.402 176.231 175.800 0.048 0.000 1.122 67 F CA -0.581 57.457 58.000 0.063 0.000 1.090 67 F CB 0.989 40.018 39.000 0.048 0.000 1.150 67 F HN 0.220 nan 8.300 nan 0.000 0.472 68 L N 4.367 125.694 121.223 0.174 0.000 2.464 68 L HA 0.263 4.610 4.340 0.013 0.000 0.264 68 L C -1.932 175.006 176.870 0.114 0.000 1.199 68 L CA -1.872 53.035 54.840 0.112 0.000 0.818 68 L CB 0.071 42.178 42.059 0.080 0.000 1.102 68 L HN 0.324 nan 8.230 nan 0.000 0.473 69 P HA 0.044 nan 4.420 nan 0.000 0.266 69 P C -2.390 174.944 177.300 0.057 0.000 1.195 69 P CA -0.689 62.446 63.100 0.058 0.000 0.768 69 P CB -0.238 31.485 31.700 0.040 0.000 0.838 70 P HA -0.016 nan 4.420 nan 0.000 0.268 70 P C -0.330 176.986 177.300 0.027 0.000 1.204 70 P CA 0.026 63.152 63.100 0.043 0.000 0.768 70 P CB 0.282 32.002 31.700 0.033 0.000 0.842 71 V N -0.128 119.800 119.914 0.022 0.000 2.811 71 V HA 0.224 4.352 4.120 0.013 0.000 0.302 71 V C 0.412 176.502 176.094 -0.007 0.000 1.063 71 V CA -0.450 61.853 62.300 0.005 0.000 1.088 71 V CB 0.419 32.239 31.823 -0.005 0.000 0.982 71 V HN 0.405 nan 8.190 nan 0.000 0.485 72 D N 3.258 123.651 120.400 -0.011 0.000 2.422 72 D HA 0.286 4.933 4.640 0.013 0.000 0.227 72 D C 0.339 176.622 176.300 -0.028 0.000 1.190 72 D CA -0.040 53.950 54.000 -0.016 0.000 0.905 72 D CB 0.484 41.278 40.800 -0.009 0.000 1.034 72 D HN 0.662 nan 8.370 nan 0.000 0.507 73 L N 3.193 124.391 121.223 -0.041 0.000 2.965 73 L HA 0.084 4.431 4.340 0.013 0.000 0.254 73 L C 2.025 178.865 176.870 -0.050 0.000 1.220 73 L CA -0.040 54.767 54.840 -0.056 0.000 1.023 73 L CB 0.054 42.059 42.059 -0.090 0.000 1.355 73 L HN 0.363 nan 8.230 nan 0.000 0.545 74 T N -3.589 110.944 114.554 -0.035 0.000 3.025 74 T HA -0.165 4.192 4.350 0.013 0.000 0.270 74 T C 1.386 176.073 174.700 -0.022 0.000 1.126 74 T CA 1.177 63.260 62.100 -0.029 0.000 1.105 74 T CB -0.235 68.621 68.868 -0.020 0.000 0.884 74 T HN 0.473 nan 8.240 nan 0.000 0.522 75 D N 0.555 120.944 120.400 -0.018 0.000 2.277 75 D HA -0.003 4.644 4.640 0.013 0.000 0.208 75 D C 0.502 176.796 176.300 -0.009 0.000 0.962 75 D CA -0.094 53.900 54.000 -0.009 0.000 0.865 75 D CB -0.389 40.410 40.800 -0.001 0.000 0.939 75 D HN 0.292 nan 8.370 nan 0.000 0.510 76 L N 1.789 123.000 121.223 -0.020 0.000 2.410 76 L HA 0.102 4.449 4.340 0.013 0.000 0.273 76 L C 0.899 177.756 176.870 -0.021 0.000 1.152 76 L CA -0.444 54.384 54.840 -0.020 0.000 0.855 76 L CB 0.822 42.856 42.059 -0.041 0.000 1.129 76 L HN -0.033 nan 8.230 nan 0.000 0.463 77 S N 1.531 117.226 115.700 -0.009 0.000 2.560 77 S HA 0.014 4.492 4.470 0.013 0.000 0.284 77 S C 1.408 175.997 174.600 -0.017 0.000 1.327 77 S CA 0.054 58.249 58.200 -0.009 0.000 1.055 77 S CB 0.500 63.700 63.200 0.001 0.000 0.868 77 S HN 0.750 nan 8.310 nan 0.000 0.506 78 S N 3.406 119.095 115.700 -0.017 0.000 2.469 78 S HA -0.064 4.413 4.470 0.013 0.000 0.238 78 S C 1.530 176.120 174.600 -0.015 0.000 0.998 78 S CA 1.021 59.208 58.200 -0.022 0.000 0.957 78 S CB -0.423 62.767 63.200 -0.016 0.000 0.764 78 S HN 0.620 nan 8.310 nan 0.000 0.514 79 S N 1.356 117.052 115.700 -0.007 0.000 2.603 79 S HA 0.130 4.608 4.470 0.013 0.000 0.220 79 S C 0.461 175.064 174.600 0.005 0.000 0.967 79 S CA -0.024 58.177 58.200 0.001 0.000 0.920 79 S CB -0.291 62.913 63.200 0.006 0.000 0.773 79 S HN 0.595 nan 8.310 nan 0.000 0.529 80 T N 3.308 117.861 114.554 -0.003 0.000 2.902 80 T HA 0.119 4.477 4.350 0.013 0.000 0.301 80 T C 0.534 175.238 174.700 0.006 0.000 1.012 80 T CA 0.293 62.395 62.100 0.004 0.000 1.151 80 T CB 0.342 69.200 68.868 -0.016 0.000 0.946 80 T HN 0.257 nan 8.240 nan 0.000 0.542 81 R N 2.013 122.528 120.500 0.025 0.000 2.582 81 R HA 0.245 4.592 4.340 0.013 0.000 0.271 81 R C 2.118 178.420 176.300 0.003 0.000 1.078 81 R CA -0.378 55.734 56.100 0.021 0.000 1.127 81 R CB 0.312 30.639 30.300 0.044 0.000 1.038 81 R HN 0.741 nan 8.270 nan 0.000 0.500 82 I N -0.766 119.794 120.570 -0.016 0.000 2.264 82 I HA -0.260 3.917 4.170 0.013 0.000 0.248 82 I C 0.821 176.874 176.117 -0.105 0.000 1.111 82 I CA 1.500 62.790 61.300 -0.016 0.000 1.382 82 I CB -0.188 37.658 38.000 -0.258 0.000 1.060 82 I HN 0.537 nan 8.210 nan 0.000 0.418 83 E N 1.800 121.887 120.200 -0.189 0.000 2.110 83 E HA -0.130 4.227 4.350 0.013 0.000 0.193 83 E C 2.335 178.785 176.600 -0.250 0.000 0.988 83 E CA 1.638 57.799 56.400 -0.397 0.000 0.804 83 E CB -0.251 29.187 29.700 -0.437 0.000 0.745 83 E HN 0.539 nan 8.360 nan 0.000 0.458 84 S N 0.336 115.996 115.700 -0.067 0.000 2.356 84 S HA -0.204 4.274 4.470 0.013 0.000 0.223 84 S C 1.938 176.414 174.600 -0.206 0.000 1.032 84 S CA 1.395 59.566 58.200 -0.049 0.000 1.005 84 S CB -0.223 63.046 63.200 0.115 0.000 0.867 84 S HN 0.209 nan 8.310 nan 0.000 0.449 85 R N 0.821 121.252 120.500 -0.115 0.000 2.081 85 R HA -0.012 4.336 4.340 0.013 0.000 0.235 85 R C 2.207 178.471 176.300 -0.060 0.000 1.131 85 R CA 1.330 57.357 56.100 -0.121 0.000 0.960 85 R CB -0.375 29.827 30.300 -0.164 0.000 0.856 85 R HN 0.375 nan 8.270 nan 0.000 0.436 86 I N 0.207 120.789 120.570 0.020 0.000 2.142 86 I HA -0.274 3.904 4.170 0.013 0.000 0.240 86 I C 2.242 178.362 176.117 0.006 0.000 1.078 86 I CA 1.448 62.812 61.300 0.106 0.000 1.343 86 I CB -0.198 37.832 38.000 0.050 0.000 1.046 86 I HN 0.203 nan 8.210 nan 0.000 0.405 87 S N 0.878 116.487 115.700 -0.152 0.000 2.356 87 S HA -0.116 4.361 4.470 0.013 0.000 0.223 87 S C 1.990 176.350 174.600 -0.400 0.000 1.032 87 S CA 1.223 59.299 58.200 -0.206 0.000 1.005 87 S CB -0.432 62.602 63.200 -0.276 0.000 0.867 87 S HN 0.318 nan 8.310 nan 0.000 0.449 88 L N 1.225 122.105 121.223 -0.572 0.000 2.191 88 L HA -0.109 4.238 4.340 0.013 0.000 0.212 88 L C 2.570 179.303 176.870 -0.227 0.000 1.103 88 L CA 0.982 55.520 54.840 -0.502 0.000 0.769 88 L CB -0.978 40.819 42.059 -0.436 0.000 0.908 88 L HN 0.323 nan 8.230 nan 0.000 0.438 89 T N -0.772 113.707 114.554 -0.125 0.000 2.746 89 T HA -0.153 4.204 4.350 0.013 0.000 0.267 89 T C 1.963 176.656 174.700 -0.011 0.000 1.039 89 T CA 1.359 63.441 62.100 -0.030 0.000 1.142 89 T CB -0.100 68.800 68.868 0.053 0.000 0.866 89 T HN 0.077 nan 8.240 nan 0.000 0.444 90 V N 1.289 121.197 119.914 -0.010 0.000 2.323 90 V HA -0.144 3.984 4.120 0.013 0.000 0.244 90 V C 2.794 178.870 176.094 -0.029 0.000 1.041 90 V CA 1.878 64.184 62.300 0.010 0.000 1.025 90 V CB -1.116 30.734 31.823 0.044 0.000 0.656 90 V HN 0.491 nan 8.190 nan 0.000 0.451 91 T N 0.011 114.510 114.554 -0.092 0.000 2.635 91 T HA -0.241 4.116 4.350 0.013 0.000 0.267 91 T C 1.974 176.642 174.700 -0.054 0.000 1.040 91 T CA 1.659 63.706 62.100 -0.088 0.000 1.156 91 T CB -0.291 68.449 68.868 -0.212 0.000 0.863 91 T HN 0.381 nan 8.240 nan 0.000 0.430 92 R N 0.805 121.262 120.500 -0.072 0.000 2.280 92 R HA 0.127 4.474 4.340 0.013 0.000 0.207 92 R C 2.386 178.678 176.300 -0.014 0.000 1.043 92 R CA 0.571 56.648 56.100 -0.038 0.000 1.006 92 R CB -0.048 30.223 30.300 -0.048 0.000 0.885 92 R HN 0.216 nan 8.270 nan 0.000 0.467 93 S N 0.698 116.392 115.700 -0.010 0.000 2.527 93 S HA 0.014 4.491 4.470 0.013 0.000 0.222 93 S C 1.208 175.810 174.600 0.003 0.000 0.985 93 S CA 0.128 58.332 58.200 0.007 0.000 0.921 93 S CB -0.012 63.200 63.200 0.021 0.000 0.772 93 S HN 0.312 nan 8.310 nan 0.000 0.529 94 N N 2.437 121.136 118.700 -0.002 0.000 2.060 94 N HA -0.093 4.654 4.740 0.013 0.000 0.195 94 N C -1.127 174.382 175.510 -0.002 0.000 1.028 94 N CA 1.534 54.580 53.050 -0.007 0.000 0.861 94 N CB -1.601 36.889 38.487 0.005 0.000 1.029 94 N HN 0.294 nan 8.380 nan 0.000 0.428 95 P HA -0.093 nan 4.420 nan 0.000 0.216 95 P C 1.153 178.463 177.300 0.017 0.000 1.150 95 P CA 1.253 64.365 63.100 0.020 0.000 0.843 95 P CB 0.066 31.779 31.700 0.021 0.000 0.787 96 E N -1.011 119.195 120.200 0.011 0.000 2.158 96 E HA -0.084 4.274 4.350 0.013 0.000 0.191 96 E C 1.904 178.500 176.600 -0.007 0.000 0.982 96 E CA 0.588 56.993 56.400 0.008 0.000 0.823 96 E CB -0.905 28.805 29.700 0.018 0.000 0.766 96 E HN 0.180 nan 8.360 nan 0.000 0.468 97 L N 1.538 122.751 121.223 -0.017 0.000 2.046 97 L HA -0.130 4.217 4.340 0.013 0.000 0.208 97 L C 2.236 179.054 176.870 -0.087 0.000 1.077 97 L CA 1.613 56.426 54.840 -0.044 0.000 0.747 97 L CB -0.255 41.756 42.059 -0.079 0.000 0.896 97 L HN -0.069 nan 8.230 nan 0.000 0.432 98 R N -0.446 120.018 120.500 -0.061 0.000 2.091 98 R HA -0.193 4.154 4.340 0.013 0.000 0.238 98 R C 2.255 178.587 176.300 0.053 0.000 1.136 98 R CA 1.839 57.957 56.100 0.030 0.000 0.959 98 R CB -0.323 30.060 30.300 0.138 0.000 0.856 98 R HN 0.409 nan 8.270 nan 0.000 0.437 99 K N 0.060 120.473 120.400 0.021 0.000 2.097 99 K HA -0.080 4.248 4.320 0.013 0.000 0.205 99 K C 2.074 178.624 176.600 -0.083 0.000 1.050 99 K CA 1.174 57.465 56.287 0.006 0.000 0.938 99 K CB -0.053 32.449 32.500 0.003 0.000 0.718 99 K HN 0.004 nan 8.250 nan 0.000 0.442 100 V N 0.865 120.688 119.914 -0.151 0.000 2.343 100 V HA -0.223 3.905 4.120 0.013 0.000 0.247 100 V C 1.961 177.649 176.094 -0.677 0.000 1.051 100 V CA 1.638 63.699 62.300 -0.397 0.000 1.036 100 V CB -0.483 31.131 31.823 -0.349 0.000 0.654 100 V HN 0.149 nan 8.190 nan 0.000 0.451 101 F N 0.681 120.213 119.950 -0.696 0.000 2.134 101 F HA -0.140 4.394 4.527 0.012 0.000 0.299 101 F C 2.329 177.874 175.800 -0.425 0.000 1.097 101 F CA 1.459 59.000 58.000 -0.765 0.000 1.264 101 F CB -0.737 37.388 39.000 -1.459 0.000 1.001 101 F HN 0.230 nan 8.300 nan 0.000 0.479 102 D N -0.302 120.090 120.400 -0.012 0.000 2.116 102 D HA -0.188 4.459 4.640 0.013 0.000 0.193 102 D C 2.447 178.786 176.300 0.065 0.000 0.998 102 D CA 1.957 56.064 54.000 0.179 0.000 0.836 102 D CB -0.656 40.254 40.800 0.185 0.000 0.951 102 D HN 0.339 nan 8.370 nan 0.000 0.449 103 S N 0.098 115.760 115.700 -0.064 0.000 2.383 103 S HA -0.145 4.332 4.470 0.013 0.000 0.227 103 S C 2.059 176.682 174.600 0.039 0.000 1.026 103 S CA 0.520 58.693 58.200 -0.046 0.000 0.981 103 S CB -0.634 62.502 63.200 -0.106 0.000 0.818 103 S HN 0.037 nan 8.310 nan 0.000 0.472 104 F N 2.111 122.014 119.950 -0.079 0.000 2.126 104 F HA 0.011 4.545 4.527 0.012 0.000 0.299 104 F C 2.678 178.448 175.800 -0.049 0.000 1.096 104 F CA -0.068 57.863 58.000 -0.115 0.000 1.255 104 F CB -1.378 37.455 39.000 -0.279 0.000 0.997 104 F HN 0.083 nan 8.300 nan 0.000 0.479 105 V N 0.106 120.139 119.914 0.198 0.000 2.295 105 V HA -0.286 3.842 4.120 0.013 0.000 0.246 105 V C 2.208 178.380 176.094 0.130 0.000 1.049 105 V CA 2.054 64.466 62.300 0.187 0.000 1.024 105 V CB -0.678 31.308 31.823 0.271 0.000 0.648 105 V HN 0.311 nan 8.190 nan 0.000 0.447 106 E N 0.252 120.520 120.200 0.113 0.000 2.118 106 E HA -0.175 4.183 4.350 0.013 0.000 0.195 106 E C 2.161 178.798 176.600 0.062 0.000 0.992 106 E CA 1.245 57.693 56.400 0.079 0.000 0.804 106 E CB -0.437 29.303 29.700 0.065 0.000 0.741 106 E HN 0.651 nan 8.360 nan 0.000 0.458 107 G N -0.109 108.733 108.800 0.070 0.000 2.848 107 G HA2 0.076 4.044 3.960 0.013 0.000 0.208 107 G HA3 0.076 4.044 3.960 0.013 0.000 0.208 107 G C 1.033 175.943 174.900 0.017 0.000 1.152 107 G CA 0.232 45.357 45.100 0.041 0.000 0.789 107 G HN 0.393 nan 8.290 nan 0.000 0.531 108 G N 0.786 109.606 108.800 0.034 0.000 2.198 108 G HA2 -0.294 3.673 3.960 0.013 0.000 0.260 108 G HA3 -0.294 3.673 3.960 0.013 0.000 0.260 108 G C 0.678 175.569 174.900 -0.016 0.000 1.025 108 G CA 0.522 45.632 45.100 0.017 0.000 0.769 108 G HN 1.065 nan 8.290 nan 0.000 0.507 109 R N -0.817 119.670 120.500 -0.021 0.000 2.734 109 R HA 0.544 4.891 4.340 0.013 0.000 0.395 109 R C 0.440 176.709 176.300 -0.052 0.000 1.096 109 R CA -0.928 55.110 56.100 -0.102 0.000 1.071 109 R CB 0.240 30.351 30.300 -0.314 0.000 1.348 109 R HN 0.390 nan 8.270 nan 0.000 0.600 110 L N 2.520 123.750 121.223 0.013 0.000 2.640 110 L HA 0.138 4.486 4.340 0.013 0.000 0.280 110 L C -2.247 174.555 176.870 -0.114 0.000 1.229 110 L CA -0.997 53.840 54.840 -0.004 0.000 0.919 110 L CB 0.177 42.303 42.059 0.113 0.000 1.168 110 L HN 0.226 nan 8.230 nan 0.000 0.496 111 P HA 0.045 nan 4.420 nan 0.000 0.267 111 P C 0.335 177.488 177.300 -0.245 0.000 1.200 111 P CA 0.158 62.983 63.100 -0.458 0.000 0.772 111 P CB 0.521 31.833 31.700 -0.648 0.000 0.855 112 T N 0.179 114.540 114.554 -0.322 0.000 3.043 112 T HA 0.233 4.590 4.350 0.013 0.000 0.263 112 T C 0.616 174.972 174.700 -0.573 0.000 1.094 112 T CA 1.017 62.913 62.100 -0.339 0.000 1.127 112 T CB 0.031 68.728 68.868 -0.285 0.000 0.905 112 T HN 0.578 nan 8.240 nan 0.000 0.490 113 A N 0.652 123.065 122.820 -0.678 0.000 2.574 113 A HA 0.707 5.035 4.320 0.013 0.000 0.297 113 A C -1.981 175.387 177.584 -0.360 0.000 1.062 113 A CA -0.788 50.879 52.037 -0.618 0.000 0.686 113 A CB 1.299 19.491 19.000 -1.346 0.000 1.285 113 A HN 0.173 nan 8.150 nan 0.000 0.403 114 L N 2.177 123.355 121.223 -0.076 0.000 2.305 114 L HA 0.724 5.071 4.340 0.013 0.000 0.284 114 L C -1.094 175.851 176.870 0.126 0.000 1.013 114 L CA -0.441 54.433 54.840 0.057 0.000 0.819 114 L CB 1.487 43.663 42.059 0.195 0.000 1.227 114 L HN 0.434 nan 8.230 nan 0.000 0.417 115 V N 6.197 126.167 119.914 0.095 0.000 2.370 115 V HA 0.588 4.716 4.120 0.013 0.000 0.283 115 V C 0.069 176.273 176.094 0.184 0.000 1.023 115 V CA -0.447 61.974 62.300 0.201 0.000 0.857 115 V CB 1.613 33.558 31.823 0.202 0.000 0.985 115 V HN 0.683 nan 8.190 nan 0.000 0.443 116 V N 1.984 122.043 119.914 0.242 0.000 3.177 116 V HA 0.866 4.993 4.120 0.013 0.000 0.319 116 V C -0.271 175.905 176.094 0.136 0.000 1.125 116 V CA -0.705 61.695 62.300 0.166 0.000 1.029 116 V CB 2.015 33.913 31.823 0.124 0.000 1.119 116 V HN 0.823 nan 8.190 nan 0.000 0.452 117 D N 0.405 120.855 120.400 0.083 0.000 2.595 117 D HA 0.293 4.940 4.640 0.013 0.000 0.268 117 D C 1.230 177.496 176.300 -0.056 0.000 1.181 117 D CA -0.176 53.836 54.000 0.020 0.000 1.085 117 D CB 0.515 41.288 40.800 -0.045 0.000 1.186 117 D HN 0.730 nan 8.370 nan 0.000 0.621 118 L N -3.068 118.037 121.223 -0.197 0.000 2.362 118 L HA 0.165 4.513 4.340 0.013 0.000 0.219 118 L C 0.546 177.326 176.870 -0.151 0.000 1.134 118 L CA 1.106 55.851 54.840 -0.158 0.000 0.807 118 L CB -0.492 41.270 42.059 -0.495 0.000 0.927 118 L HN 0.122 nan 8.230 nan 0.000 0.447 119 F N 0.751 120.791 119.950 0.149 0.000 2.654 119 F HA 0.425 4.959 4.527 0.012 0.000 0.303 119 F C 1.830 177.687 175.800 0.095 0.000 1.099 119 F CA -0.088 58.019 58.000 0.179 0.000 1.270 119 F CB 0.747 39.858 39.000 0.185 0.000 1.024 119 F HN 0.047 nan 8.300 nan 0.000 0.548 120 G N -0.502 108.388 108.800 0.150 0.000 3.502 120 G HA2 0.013 3.981 3.960 0.013 0.000 0.267 120 G HA3 0.013 3.981 3.960 0.013 0.000 0.267 120 G C 1.431 176.266 174.900 -0.107 0.000 1.090 120 G CA 0.604 45.740 45.100 0.061 0.000 0.795 120 G HN 0.304 nan 8.290 nan 0.000 0.535 121 T N -2.199 112.227 114.554 -0.214 0.000 2.929 121 T HA -0.114 4.243 4.350 0.013 0.000 0.271 121 T C 1.543 175.972 174.700 -0.451 0.000 1.085 121 T CA 1.342 63.007 62.100 -0.724 0.000 1.125 121 T CB -0.090 68.399 68.868 -0.632 0.000 0.874 121 T HN 0.053 nan 8.240 nan 0.000 0.494 122 D N 1.821 122.179 120.400 -0.069 0.000 2.263 122 D HA 0.088 4.736 4.640 0.013 0.000 0.208 122 D C 2.246 178.573 176.300 0.046 0.000 0.971 122 D CA 1.034 55.072 54.000 0.063 0.000 0.867 122 D CB -0.500 40.383 40.800 0.138 0.000 0.929 122 D HN 0.627 nan 8.370 nan 0.000 0.492 123 A N 0.273 123.098 122.820 0.009 0.000 2.125 123 A HA -0.154 4.174 4.320 0.013 0.000 0.219 123 A C 1.638 179.327 177.584 0.175 0.000 1.156 123 A CA 0.471 52.541 52.037 0.055 0.000 0.671 123 A CB -0.749 18.283 19.000 0.053 0.000 0.794 123 A HN 0.097 nan 8.150 nan 0.000 0.459 124 F N 1.097 121.060 119.950 0.021 0.000 2.192 124 F HA -0.183 4.351 4.527 0.012 0.000 0.301 124 F C 1.842 177.644 175.800 0.003 0.000 1.079 124 F CA 1.063 59.072 58.000 0.016 0.000 1.303 124 F CB -1.028 37.993 39.000 0.034 0.000 1.024 124 F HN 0.293 nan 8.300 nan 0.000 0.494 125 D N 0.046 120.567 120.400 0.202 0.000 2.123 125 D HA -0.146 4.502 4.640 0.013 0.000 0.196 125 D C 2.520 178.852 176.300 0.053 0.000 0.992 125 D CA 1.235 55.301 54.000 0.110 0.000 0.833 125 D CB -0.574 40.279 40.800 0.089 0.000 0.954 125 D HN 0.141 nan 8.370 nan 0.000 0.455 126 V N 1.167 121.079 119.914 -0.004 0.000 2.379 126 V HA -0.149 3.978 4.120 0.013 0.000 0.245 126 V C 2.507 178.548 176.094 -0.088 0.000 1.044 126 V CA 1.494 63.737 62.300 -0.095 0.000 1.036 126 V CB -0.787 30.820 31.823 -0.361 0.000 0.664 126 V HN 0.170 nan 8.190 nan 0.000 0.453 127 A N 0.182 122.948 122.820 -0.090 0.000 1.883 127 A HA -0.185 4.143 4.320 0.013 0.000 0.217 127 A C 2.406 180.028 177.584 0.063 0.000 1.186 127 A CA 2.301 54.345 52.037 0.012 0.000 0.624 127 A CB -0.800 18.220 19.000 0.033 0.000 0.822 127 A HN 0.327 nan 8.150 nan 0.000 0.444 128 V N -0.077 119.853 119.914 0.026 0.000 2.343 128 V HA -0.274 3.853 4.120 0.013 0.000 0.247 128 V C 2.402 178.427 176.094 -0.115 0.000 1.051 128 V CA 2.344 64.637 62.300 -0.012 0.000 1.036 128 V CB -0.891 30.938 31.823 0.010 0.000 0.654 128 V HN 0.648 nan 8.190 nan 0.000 0.451 129 E N -0.605 119.548 120.200 -0.079 0.000 2.110 129 E HA -0.179 4.179 4.350 0.013 0.000 0.193 129 E C 1.644 177.996 176.600 -0.413 0.000 0.988 129 E CA 1.447 57.720 56.400 -0.211 0.000 0.804 129 E CB -0.121 29.516 29.700 -0.104 0.000 0.745 129 E HN 0.662 nan 8.360 nan 0.000 0.458 130 F N -0.317 119.533 119.950 -0.168 0.000 2.660 130 F HA 0.123 4.657 4.527 0.013 0.000 0.302 130 F C 0.032 175.851 175.800 0.031 0.000 1.103 130 F CA -0.002 57.988 58.000 -0.016 0.000 1.340 130 F CB 0.260 39.420 39.000 0.267 0.000 1.048 130 F HN 0.014 nan 8.300 nan 0.000 0.551 131 H N -1.107 118.094 119.070 0.218 0.000 2.791 131 H HA -0.132 4.431 4.556 0.012 0.000 0.302 131 H C -0.420 175.030 175.328 0.204 0.000 1.198 131 H CA 0.297 56.449 56.048 0.172 0.000 1.145 131 H CB -2.018 27.828 29.762 0.139 0.000 1.385 131 H HN 0.018 nan 8.280 nan 0.000 0.409 132 V N 1.370 121.439 119.914 0.258 0.000 2.370 132 V HA 0.214 4.341 4.120 0.013 0.000 0.279 132 V C -1.717 174.426 176.094 0.082 0.000 1.029 132 V CA -1.540 60.872 62.300 0.185 0.000 0.870 132 V CB 1.747 33.733 31.823 0.273 0.000 0.984 132 V HN -0.019 nan 8.190 nan 0.000 0.451 133 P HA 0.094 nan 4.420 nan 0.000 0.261 133 P C -2.547 174.786 177.300 0.056 0.000 1.183 133 P CA -0.466 62.652 63.100 0.031 0.000 0.761 133 P CB 0.025 31.783 31.700 0.097 0.000 0.785 134 P HA 0.282 nan 4.420 nan 0.000 0.290 134 P C -1.347 175.816 177.300 -0.229 0.000 1.276 134 P CA -0.221 62.706 63.100 -0.288 0.000 0.808 134 P CB 0.925 31.977 31.700 -1.080 0.000 0.966 135 Y N 1.102 121.408 120.300 0.010 0.000 2.576 135 Y HA 0.541 5.099 4.550 0.012 0.000 0.346 135 Y C 0.358 176.397 175.900 0.230 0.000 1.018 135 Y CA -1.020 57.167 58.100 0.145 0.000 1.050 135 Y CB 2.287 40.923 38.460 0.293 0.000 1.280 135 Y HN 0.142 nan 8.280 nan 0.000 0.474 136 I N 2.397 123.147 120.570 0.299 0.000 2.433 136 I HA 0.229 4.406 4.170 0.013 0.000 0.292 136 I C -1.261 174.955 176.117 0.164 0.000 1.001 136 I CA -0.657 60.747 61.300 0.173 0.000 1.119 136 I CB 1.477 39.425 38.000 -0.087 0.000 1.289 136 I HN 0.423 nan 8.210 nan 0.000 0.438 137 F N 7.375 127.320 119.950 -0.009 0.000 2.391 137 F HA 0.351 4.886 4.527 0.012 0.000 0.359 137 F C -0.963 174.806 175.800 -0.052 0.000 1.122 137 F CA -0.469 57.461 58.000 -0.118 0.000 1.120 137 F CB 0.539 39.340 39.000 -0.332 0.000 1.142 137 F HN 0.333 nan 8.300 nan 0.000 0.483 138 Y N 9.544 129.481 120.300 -0.605 0.000 2.385 138 Y HA 0.394 4.952 4.550 0.012 0.000 0.341 138 Y C -1.915 173.713 175.900 -0.453 0.000 0.965 138 Y CA -2.715 55.129 58.100 -0.428 0.000 1.180 138 Y CB 1.151 39.382 38.460 -0.381 0.000 1.139 138 Y HN 0.431 nan 8.280 nan 0.000 0.502 139 P HA 0.063 nan 4.420 nan 0.000 0.257 139 P C 0.114 177.386 177.300 -0.048 0.000 1.325 139 P CA 0.496 63.561 63.100 -0.059 0.000 0.850 139 P CB 0.689 32.506 31.700 0.195 0.000 1.324 140 T N -1.032 113.271 114.554 -0.418 0.000 2.604 140 T HA 0.428 4.786 4.350 0.013 0.000 0.267 140 T C -0.546 173.779 174.700 -0.625 0.000 0.923 140 T CA -0.157 61.640 62.100 -0.505 0.000 1.077 140 T CB 0.817 69.423 68.868 -0.436 0.000 1.392 140 T HN -0.011 nan 8.240 nan 0.000 0.531 141 T N 0.089 114.083 114.554 -0.934 0.000 2.860 141 T HA 0.537 4.894 4.350 0.013 0.000 0.299 141 T C 1.588 176.068 174.700 -0.367 0.000 1.045 141 T CA 0.063 61.618 62.100 -0.907 0.000 1.071 141 T CB 0.573 68.817 68.868 -1.040 0.000 0.985 141 T HN 0.748 nan 8.240 nan 0.000 0.537 142 A N 1.706 124.349 122.820 -0.295 0.000 1.972 142 A HA -0.119 4.208 4.320 0.013 0.000 0.219 142 A C 2.416 179.873 177.584 -0.211 0.000 1.169 142 A CA 1.464 53.370 52.037 -0.218 0.000 0.635 142 A CB -1.040 17.868 19.000 -0.153 0.000 0.810 142 A HN 0.937 nan 8.150 nan 0.000 0.446 143 N N -0.028 118.539 118.700 -0.221 0.000 2.084 143 N HA -0.134 4.613 4.740 0.013 0.000 0.190 143 N C 1.712 177.152 175.510 -0.116 0.000 1.030 143 N CA 1.852 54.804 53.050 -0.162 0.000 0.849 143 N CB -0.175 38.211 38.487 -0.169 0.000 1.012 143 N HN 0.310 nan 8.380 nan 0.000 0.423 144 V N 1.731 121.554 119.914 -0.153 0.000 2.453 144 V HA -0.152 3.976 4.120 0.013 0.000 0.247 144 V C 2.357 178.423 176.094 -0.046 0.000 1.048 144 V CA 0.758 63.029 62.300 -0.049 0.000 1.049 144 V CB -0.445 31.314 31.823 -0.108 0.000 0.672 144 V HN 0.219 nan 8.190 nan 0.000 0.457 145 L N 0.504 121.556 121.223 -0.286 0.000 2.043 145 L HA -0.169 4.179 4.340 0.013 0.000 0.212 145 L C 2.491 179.225 176.870 -0.226 0.000 1.075 145 L CA 2.205 56.661 54.840 -0.640 0.000 0.752 145 L CB -0.805 40.733 42.059 -0.868 0.000 0.891 145 L HN 0.292 nan 8.230 nan 0.000 0.432 146 S N -0.819 114.798 115.700 -0.139 0.000 2.368 146 S HA -0.213 4.264 4.470 0.013 0.000 0.225 146 S C 1.805 176.397 174.600 -0.014 0.000 1.030 146 S CA 1.582 59.732 58.200 -0.084 0.000 0.999 146 S CB -0.717 62.425 63.200 -0.097 0.000 0.844 146 S HN 0.573 nan 8.310 nan 0.000 0.459 147 F N 1.468 121.370 119.950 -0.079 0.000 2.095 147 F HA -0.142 4.392 4.527 0.013 0.000 0.298 147 F C 1.791 177.605 175.800 0.024 0.000 1.104 147 F CA 1.363 59.323 58.000 -0.067 0.000 1.232 147 F CB -0.326 38.615 39.000 -0.098 0.000 0.987 147 F HN 0.098 nan 8.300 nan 0.000 0.475 148 F N 0.530 120.468 119.950 -0.021 0.000 2.102 148 F HA -0.185 4.350 4.527 0.012 0.000 0.298 148 F C 2.226 177.828 175.800 -0.330 0.000 1.105 148 F CA 1.404 59.287 58.000 -0.195 0.000 1.239 148 F CB -1.164 37.694 39.000 -0.236 0.000 0.991 148 F HN -0.064 nan 8.300 nan 0.000 0.474 149 L N -1.229 119.981 121.223 -0.022 0.000 2.131 149 L HA -0.238 4.110 4.340 0.013 0.000 0.210 149 L C 2.250 179.064 176.870 -0.095 0.000 1.092 149 L CA 1.472 56.276 54.840 -0.059 0.000 0.759 149 L CB -0.699 41.346 42.059 -0.023 0.000 0.903 149 L HN 0.190 nan 8.230 nan 0.000 0.435 150 H N -0.604 118.313 119.070 -0.254 0.000 2.548 150 H HA -0.062 4.501 4.556 0.013 0.000 0.268 150 H C 1.780 176.876 175.328 -0.386 0.000 0.975 150 H CA 0.433 56.300 56.048 -0.301 0.000 1.195 150 H CB 0.331 29.890 29.762 -0.339 0.000 1.397 150 H HN 0.103 nan 8.280 nan 0.000 0.572 151 L N 1.185 122.106 121.223 -0.503 0.000 2.046 151 L HA 0.016 4.363 4.340 0.013 0.000 0.208 151 L C -0.879 175.762 176.870 -0.382 0.000 1.077 151 L CA 1.492 55.991 54.840 -0.569 0.000 0.747 151 L CB -1.037 40.696 42.059 -0.543 0.000 0.896 151 L HN 0.184 nan 8.230 nan 0.000 0.432 152 P HA -0.233 nan 4.420 nan 0.000 0.216 152 P C 1.494 178.658 177.300 -0.227 0.000 1.153 152 P CA 1.710 64.676 63.100 -0.222 0.000 0.858 152 P CB -0.060 31.531 31.700 -0.181 0.000 0.789 153 K N -0.612 119.586 120.400 -0.338 0.000 2.025 153 K HA -0.136 4.192 4.320 0.013 0.000 0.207 153 K C 1.990 178.361 176.600 -0.382 0.000 1.049 153 K CA 0.983 57.055 56.287 -0.359 0.000 0.933 153 K CB -0.745 31.496 32.500 -0.431 0.000 0.714 153 K HN -0.058 nan 8.250 nan 0.000 0.438 154 L N 1.983 122.845 121.223 -0.603 0.000 2.012 154 L HA -0.208 4.139 4.340 0.013 0.000 0.210 154 L C 1.827 178.698 176.870 0.002 0.000 1.073 154 L CA 2.258 56.914 54.840 -0.305 0.000 0.748 154 L CB -0.711 41.107 42.059 -0.402 0.000 0.891 154 L HN 0.294 nan 8.230 nan 0.000 0.431 155 D N -0.984 119.430 120.400 0.023 0.000 2.123 155 D HA -0.282 4.365 4.640 0.013 0.000 0.196 155 D C 2.134 178.481 176.300 0.078 0.000 0.992 155 D CA 1.584 55.689 54.000 0.175 0.000 0.833 155 D CB -0.050 40.834 40.800 0.141 0.000 0.954 155 D HN 0.545 nan 8.370 nan 0.000 0.455 156 E N -1.268 118.931 120.200 -0.002 0.000 2.106 156 E HA -0.135 4.223 4.350 0.013 0.000 0.192 156 E C 1.701 178.301 176.600 0.001 0.000 0.984 156 E CA 1.626 58.019 56.400 -0.012 0.000 0.806 156 E CB 0.034 29.707 29.700 -0.045 0.000 0.750 156 E HN 0.489 nan 8.360 nan 0.000 0.458 157 T N -2.640 111.916 114.554 0.004 0.000 3.037 157 T HA 0.172 4.530 4.350 0.013 0.000 0.251 157 T C 0.501 175.233 174.700 0.053 0.000 1.079 157 T CA -0.266 61.846 62.100 0.020 0.000 1.067 157 T CB 0.578 69.454 68.868 0.013 0.000 0.948 157 T HN -0.125 nan 8.240 nan 0.000 0.496 158 V N 1.806 121.775 119.914 0.091 0.000 2.448 158 V HA 0.492 4.620 4.120 0.013 0.000 0.295 158 V C 0.315 176.436 176.094 0.045 0.000 1.025 158 V CA -0.590 61.780 62.300 0.118 0.000 0.859 158 V CB 1.891 33.882 31.823 0.279 0.000 0.988 158 V HN 0.306 nan 8.190 nan 0.000 0.431 159 S N 1.457 117.152 115.700 -0.009 0.000 2.540 159 S HA 0.087 4.564 4.470 0.013 0.000 0.222 159 S C 0.616 175.143 174.600 -0.122 0.000 1.008 159 S CA -0.193 57.970 58.200 -0.062 0.000 0.939 159 S CB 0.236 63.413 63.200 -0.038 0.000 0.865 159 S HN 0.918 nan 8.310 nan 0.000 0.499 160 C N 1.775 120.997 119.300 -0.130 0.000 2.422 160 C HA 0.595 5.063 4.460 0.013 0.000 0.364 160 C C 0.448 175.222 174.990 -0.360 0.000 1.251 160 C CA -1.366 57.545 59.018 -0.178 0.000 2.441 160 C CB 0.105 27.782 27.740 -0.105 0.000 2.393 160 C HN 0.250 nan 8.230 nan 0.000 0.606 161 E N 0.566 120.564 120.200 -0.337 0.000 2.413 161 E HA 0.062 4.419 4.350 0.013 0.000 0.263 161 E C 0.549 176.924 176.600 -0.375 0.000 1.015 161 E CA 0.196 56.326 56.400 -0.450 0.000 0.916 161 E CB 0.199 29.743 29.700 -0.260 0.000 0.947 161 E HN 0.701 nan 8.360 nan 0.000 0.440 162 F N 1.624 121.532 119.950 -0.071 0.000 2.269 162 F HA -0.153 4.381 4.527 0.012 0.000 0.301 162 F C 2.334 177.998 175.800 -0.226 0.000 1.082 162 F CA 1.136 59.077 58.000 -0.098 0.000 1.360 162 F CB -0.578 38.424 39.000 0.003 0.000 1.041 162 F HN 0.481 nan 8.300 nan 0.000 0.512 163 R N 0.604 121.076 120.500 -0.047 0.000 2.193 163 R HA -0.123 4.225 4.340 0.013 0.000 0.229 163 R C 1.115 177.367 176.300 -0.080 0.000 1.110 163 R CA 1.467 57.512 56.100 -0.091 0.000 0.988 163 R CB -0.773 29.486 30.300 -0.069 0.000 0.871 163 R HN 0.227 nan 8.270 nan 0.000 0.458 164 E N 1.348 121.508 120.200 -0.068 0.000 2.481 164 E HA 0.071 4.428 4.350 0.013 0.000 0.195 164 E C 0.520 177.101 176.600 -0.032 0.000 1.047 164 E CA 0.127 56.496 56.400 -0.053 0.000 0.867 164 E CB 0.010 29.674 29.700 -0.059 0.000 0.858 164 E HN 0.407 nan 8.360 nan 0.000 0.513 165 L N 1.773 122.984 121.223 -0.020 0.000 2.453 165 L HA 0.006 4.353 4.340 0.013 0.000 0.272 165 L C 1.760 178.621 176.870 -0.015 0.000 1.182 165 L CA 0.193 55.037 54.840 0.007 0.000 0.858 165 L CB 0.542 42.625 42.059 0.039 0.000 1.120 165 L HN 0.037 nan 8.230 nan 0.000 0.474 166 T N -1.712 112.842 114.554 -0.000 0.000 3.051 166 T HA 0.123 4.481 4.350 0.013 0.000 0.255 166 T C 0.521 175.221 174.700 -0.000 0.000 1.085 166 T CA -0.059 62.037 62.100 -0.007 0.000 1.109 166 T CB 0.056 68.922 68.868 -0.005 0.000 0.921 166 T HN 0.552 nan 8.240 nan 0.000 0.488 167 E N 2.737 122.947 120.200 0.016 0.000 2.202 167 E HA 0.460 4.817 4.350 0.013 0.000 0.272 167 E C -2.599 174.025 176.600 0.040 0.000 0.951 167 E CA -2.661 53.753 56.400 0.025 0.000 0.813 167 E CB 1.291 31.011 29.700 0.033 0.000 1.151 167 E HN 0.236 nan 8.360 nan 0.000 0.398 168 P HA 0.040 nan 4.420 nan 0.000 0.274 168 P C -0.781 176.597 177.300 0.130 0.000 1.237 168 P CA -0.585 62.561 63.100 0.077 0.000 0.793 168 P CB 0.680 32.413 31.700 0.056 0.000 0.977 169 L N 2.670 124.039 121.223 0.243 0.000 2.360 169 L HA 0.226 4.573 4.340 0.013 0.000 0.276 169 L C 0.159 177.088 176.870 0.099 0.000 1.121 169 L CA 0.663 55.633 54.840 0.215 0.000 0.845 169 L CB -0.319 41.948 42.059 0.347 0.000 1.143 169 L HN 0.286 nan 8.230 nan 0.000 0.452 170 M N 7.073 126.685 119.600 0.020 0.000 2.488 170 M HA 0.311 4.799 4.480 0.013 0.000 0.204 170 M C -0.882 175.372 176.300 -0.077 0.000 0.969 170 M CA -0.278 55.011 55.300 -0.018 0.000 0.720 170 M CB 0.593 33.187 32.600 -0.010 0.000 1.427 170 M HN 0.452 nan 8.290 nan 0.000 0.427 171 L N 2.085 123.237 121.223 -0.118 0.000 2.467 171 L HA 0.277 4.624 4.340 0.013 0.000 0.270 171 L C -1.850 174.948 176.870 -0.121 0.000 1.205 171 L CA -1.735 52.995 54.840 -0.183 0.000 0.828 171 L CB 0.055 41.973 42.059 -0.234 0.000 1.101 171 L HN 0.144 nan 8.230 nan 0.000 0.479 172 P HA -0.035 nan 4.420 nan 0.000 0.260 172 P C 0.678 177.931 177.300 -0.078 0.000 1.172 172 P CA 1.082 64.132 63.100 -0.083 0.000 0.760 172 P CB 0.467 32.121 31.700 -0.077 0.000 0.773 173 G N 1.627 110.388 108.800 -0.065 0.000 2.184 173 G HA2 -0.274 3.694 3.960 0.013 0.000 0.264 173 G HA3 -0.274 3.694 3.960 0.013 0.000 0.264 173 G C 0.236 175.090 174.900 -0.075 0.000 0.975 173 G CA -0.028 45.032 45.100 -0.067 0.000 0.642 173 G HN 0.644 nan 8.290 nan 0.000 0.536 174 C N -0.060 119.197 119.300 -0.072 0.000 2.366 174 C HA 0.697 5.165 4.460 0.013 0.000 0.345 174 C C 1.276 176.236 174.990 -0.051 0.000 1.209 174 C CA -0.463 58.513 59.018 -0.070 0.000 2.050 174 C CB 1.432 29.130 27.740 -0.069 0.000 2.359 174 C HN 0.574 nan 8.230 nan 0.000 0.527 175 V N 5.111 124.997 119.914 -0.048 0.000 2.763 175 V HA 0.185 4.312 4.120 0.013 0.000 0.306 175 V C -1.989 174.101 176.094 -0.007 0.000 1.059 175 V CA -0.803 61.479 62.300 -0.030 0.000 1.138 175 V CB 1.011 32.816 31.823 -0.030 0.000 0.940 175 V HN 0.822 nan 8.190 nan 0.000 0.489 176 P HA 0.227 nan 4.420 nan 0.000 0.268 176 P C -1.175 176.159 177.300 0.057 0.000 1.204 176 P CA 0.157 63.277 63.100 0.032 0.000 0.768 176 P CB 0.662 32.375 31.700 0.023 0.000 0.842 177 V N 2.466 122.454 119.914 0.123 0.000 2.588 177 V HA 0.578 4.705 4.120 0.013 0.000 0.304 177 V C 0.317 176.530 176.094 0.199 0.000 1.042 177 V CA -1.113 61.288 62.300 0.168 0.000 0.877 177 V CB 1.694 33.656 31.823 0.231 0.000 0.996 177 V HN 0.671 nan 8.190 nan 0.000 0.425 178 A N 3.151 126.001 122.820 0.050 0.000 2.445 178 A HA 0.542 4.869 4.320 0.013 0.000 0.242 178 A C 1.600 178.948 177.584 -0.393 0.000 1.075 178 A CA 0.492 52.477 52.037 -0.086 0.000 0.777 178 A CB 0.334 19.284 19.000 -0.083 0.000 1.013 178 A HN 1.273 nan 8.150 nan 0.000 0.493 179 G N 1.422 109.842 108.800 -0.633 0.000 2.469 179 G HA2 -0.333 3.634 3.960 0.013 0.000 0.219 179 G HA3 -0.333 3.634 3.960 0.013 0.000 0.219 179 G C 1.380 175.826 174.900 -0.757 0.000 1.150 179 G CA 1.301 45.664 45.100 -1.228 0.000 0.763 179 G HN 0.970 nan 8.290 nan 0.000 0.561 180 K N -0.163 120.032 120.400 -0.341 0.000 2.442 180 K HA -0.008 4.319 4.320 0.013 0.000 0.198 180 K C 0.830 177.364 176.600 -0.111 0.000 1.044 180 K CA 1.523 57.708 56.287 -0.169 0.000 0.948 180 K CB 0.106 32.544 32.500 -0.104 0.000 0.762 180 K HN 0.123 nan 8.250 nan 0.000 0.472 181 D N 0.008 120.332 120.400 -0.128 0.000 2.398 181 D HA 0.101 4.748 4.640 0.013 0.000 0.210 181 D C -0.217 176.148 176.300 0.108 0.000 1.094 181 D CA -0.145 53.851 54.000 -0.006 0.000 0.839 181 D CB 0.088 40.890 40.800 0.004 0.000 0.963 181 D HN 0.006 nan 8.370 nan 0.000 0.506 182 F N 1.969 121.869 119.950 -0.084 0.000 2.589 182 F HA 0.029 4.564 4.527 0.012 0.000 0.352 182 F C 1.472 177.177 175.800 -0.159 0.000 1.168 182 F CA -1.333 56.525 58.000 -0.237 0.000 1.353 182 F CB -0.269 38.605 39.000 -0.210 0.000 1.116 182 F HN -0.110 nan 8.300 nan 0.000 0.608 183 L N 0.140 121.330 121.223 -0.055 0.000 2.529 183 L HA 0.045 4.392 4.340 0.013 0.000 0.287 183 L C 0.975 177.937 176.870 0.153 0.000 1.241 183 L CA -0.636 54.235 54.840 0.050 0.000 0.857 183 L CB 0.163 42.262 42.059 0.067 0.000 1.113 183 L HN 0.446 nan 8.230 nan 0.000 0.504 184 D N 2.126 122.629 120.400 0.171 0.000 2.157 184 D HA -0.158 4.490 4.640 0.013 0.000 0.191 184 D C -0.536 175.884 176.300 0.201 0.000 1.004 184 D CA 2.323 56.432 54.000 0.182 0.000 0.854 184 D CB -1.270 39.649 40.800 0.198 0.000 0.936 184 D HN 0.682 nan 8.370 nan 0.000 0.446 185 P HA 0.010 nan 4.420 nan 0.000 0.230 185 P C 0.628 178.153 177.300 0.375 0.000 1.158 185 P CA 1.040 64.297 63.100 0.261 0.000 0.769 185 P CB 0.106 31.958 31.700 0.252 0.000 0.807 186 A N -0.336 122.719 122.820 0.390 0.000 2.208 186 A HA -0.033 4.295 4.320 0.013 0.000 0.209 186 A C 2.082 179.894 177.584 0.381 0.000 1.161 186 A CA 0.643 53.000 52.037 0.533 0.000 0.782 186 A CB -0.590 18.735 19.000 0.542 0.000 0.816 186 A HN 0.025 nan 8.150 nan 0.000 0.477 187 Q N -0.087 119.858 119.800 0.242 0.000 2.451 187 Q HA -0.001 4.347 4.340 0.013 0.000 0.206 187 Q C -0.571 175.443 176.000 0.024 0.000 0.947 187 Q CA 0.651 56.537 55.803 0.139 0.000 0.937 187 Q CB 0.230 29.036 28.738 0.114 0.000 1.025 187 Q HN 0.631 nan 8.270 nan 0.000 0.511 188 D N -0.510 119.890 120.400 0.000 0.000 2.323 188 D HA 0.166 4.813 4.640 0.013 0.000 0.242 188 D C 0.211 176.447 176.300 -0.107 0.000 1.347 188 D CA -0.208 53.758 54.000 -0.057 0.000 0.988 188 D CB 0.494 41.296 40.800 0.004 0.000 1.314 188 D HN -0.163 nan 8.370 nan 0.000 0.564 189 R N 1.527 121.844 120.500 -0.305 0.000 2.285 189 R HA 0.026 4.374 4.340 0.013 0.000 0.213 189 R C 1.360 177.619 176.300 -0.069 0.000 1.068 189 R CA 0.795 56.622 56.100 -0.455 0.000 1.004 189 R CB 0.443 30.326 30.300 -0.695 0.000 0.873 189 R HN 0.246 nan 8.270 nan 0.000 0.467 190 K N 0.206 120.575 120.400 -0.051 0.000 2.418 190 K HA 0.004 4.332 4.320 0.013 0.000 0.195 190 K C 0.415 177.034 176.600 0.033 0.000 1.035 190 K CA 0.218 56.503 56.287 -0.004 0.000 1.003 190 K CB 0.232 32.716 32.500 -0.027 0.000 0.793 190 K HN 0.148 nan 8.250 nan 0.000 0.494 191 D N 0.958 121.396 120.400 0.064 0.000 2.264 191 D HA -0.020 4.627 4.640 0.013 0.000 0.249 191 D C 0.105 176.466 176.300 0.101 0.000 1.070 191 D CA -0.139 53.908 54.000 0.078 0.000 0.912 191 D CB 1.296 42.148 40.800 0.087 0.000 1.193 191 D HN -0.073 nan 8.370 nan 0.000 0.427 192 D N 2.436 122.885 120.400 0.081 0.000 2.265 192 D HA -0.144 4.503 4.640 0.013 0.000 0.208 192 D C 1.688 178.092 176.300 0.173 0.000 0.977 192 D CA 0.853 54.898 54.000 0.075 0.000 0.871 192 D CB -0.074 40.819 40.800 0.155 0.000 0.925 192 D HN 0.491 nan 8.370 nan 0.000 0.485 193 A N -0.013 122.924 122.820 0.194 0.000 1.902 193 A HA -0.231 4.097 4.320 0.013 0.000 0.217 193 A C 2.164 179.888 177.584 0.233 0.000 1.181 193 A CA 1.174 53.338 52.037 0.211 0.000 0.623 193 A CB -0.961 18.131 19.000 0.154 0.000 0.818 193 A HN 0.327 nan 8.150 nan 0.000 0.443 194 Y N 0.854 121.212 120.300 0.097 0.000 2.200 194 Y HA -0.164 4.393 4.550 0.012 0.000 0.290 194 Y C 2.217 178.142 175.900 0.043 0.000 1.137 194 Y CA 2.089 60.245 58.100 0.094 0.000 1.163 194 Y CB -0.244 38.269 38.460 0.087 0.000 0.988 194 Y HN 0.285 nan 8.280 nan 0.000 0.518 195 K N -1.088 119.262 120.400 -0.084 0.000 2.063 195 K HA -0.245 4.083 4.320 0.013 0.000 0.208 195 K C 1.930 178.312 176.600 -0.364 0.000 1.048 195 K CA 2.128 58.224 56.287 -0.319 0.000 0.928 195 K CB -0.618 31.650 32.500 -0.386 0.000 0.713 195 K HN 0.423 nan 8.250 nan 0.000 0.442 196 W N 0.924 122.212 121.300 -0.020 0.000 2.418 196 W HA -0.092 4.575 4.660 0.012 0.000 0.292 196 W C 2.041 178.614 176.519 0.091 0.000 1.213 196 W CA -0.205 57.165 57.345 0.042 0.000 1.283 196 W CB -0.308 29.167 29.460 0.025 0.000 1.119 196 W HN 0.055 nan 8.180 nan 0.000 0.542 197 L N 0.458 121.815 121.223 0.222 0.000 1.989 197 L HA -0.208 4.140 4.340 0.013 0.000 0.211 197 L C 2.306 179.086 176.870 -0.150 0.000 1.071 197 L CA 1.842 56.757 54.840 0.125 0.000 0.749 197 L CB -1.462 40.636 42.059 0.066 0.000 0.890 197 L HN 0.065 nan 8.230 nan 0.000 0.431 198 L N -0.680 120.327 121.223 -0.361 0.000 1.989 198 L HA -0.272 4.076 4.340 0.013 0.000 0.211 198 L C 2.600 179.343 176.870 -0.212 0.000 1.071 198 L CA 2.438 57.027 54.840 -0.417 0.000 0.749 198 L CB -1.035 40.647 42.059 -0.628 0.000 0.890 198 L HN 0.639 nan 8.230 nan 0.000 0.431 199 H N -0.341 118.619 119.070 -0.183 0.000 2.265 199 H HA -0.191 4.372 4.556 0.012 0.000 0.295 199 H C 2.169 177.511 175.328 0.023 0.000 1.084 199 H CA 2.396 58.401 56.048 -0.071 0.000 1.261 199 H CB -0.250 29.494 29.762 -0.030 0.000 1.360 199 H HN 0.412 nan 8.280 nan 0.000 0.487 200 N N -0.555 118.196 118.700 0.085 0.000 2.060 200 N HA -0.197 4.550 4.740 0.013 0.000 0.195 200 N C 2.096 177.537 175.510 -0.115 0.000 1.028 200 N CA 2.509 55.601 53.050 0.070 0.000 0.861 200 N CB -0.687 37.969 38.487 0.281 0.000 1.029 200 N HN 0.704 nan 8.380 nan 0.000 0.428 201 T N -0.906 113.432 114.554 -0.361 0.000 2.788 201 T HA -0.060 4.298 4.350 0.013 0.000 0.268 201 T C 1.731 176.245 174.700 -0.311 0.000 1.044 201 T CA 1.039 62.758 62.100 -0.635 0.000 1.139 201 T CB -0.165 68.336 68.868 -0.612 0.000 0.867 201 T HN 0.176 nan 8.240 nan 0.000 0.454 202 K N 0.622 120.889 120.400 -0.220 0.000 2.280 202 K HA 0.056 4.383 4.320 0.013 0.000 0.202 202 K C 2.557 179.126 176.600 -0.052 0.000 1.047 202 K CA 0.794 56.998 56.287 -0.138 0.000 0.942 202 K CB -0.052 32.358 32.500 -0.150 0.000 0.739 202 K HN 0.391 nan 8.250 nan 0.000 0.457 203 R N -0.662 119.827 120.500 -0.019 0.000 2.297 203 R HA 0.011 4.358 4.340 0.013 0.000 0.197 203 R C 1.358 177.861 176.300 0.339 0.000 0.943 203 R CA 0.326 56.493 56.100 0.111 0.000 1.038 203 R CB 0.057 30.351 30.300 -0.010 0.000 0.957 203 R HN 0.184 nan 8.270 nan 0.000 0.484 204 Y N 2.380 122.710 120.300 0.051 0.000 2.224 204 Y HA -0.228 4.329 4.550 0.012 0.000 0.289 204 Y C 2.238 178.184 175.900 0.077 0.000 1.146 204 Y CA 1.226 59.381 58.100 0.093 0.000 1.182 204 Y CB -0.361 38.121 38.460 0.037 0.000 0.983 204 Y HN 0.079 nan 8.280 nan 0.000 0.524 205 K N 0.287 120.804 120.400 0.194 0.000 2.360 205 K HA -0.182 4.146 4.320 0.013 0.000 0.201 205 K C 1.164 177.800 176.600 0.060 0.000 1.046 205 K CA 1.865 58.204 56.287 0.086 0.000 0.940 205 K CB -0.394 32.133 32.500 0.046 0.000 0.748 205 K HN 0.375 nan 8.250 nan 0.000 0.465 206 E N 0.967 121.238 120.200 0.119 0.000 2.435 206 E HA 0.055 4.413 4.350 0.013 0.000 0.195 206 E C 0.200 176.711 176.600 -0.148 0.000 1.029 206 E CA 0.027 56.452 56.400 0.042 0.000 0.865 206 E CB 0.231 30.026 29.700 0.158 0.000 0.833 206 E HN 0.428 nan 8.360 nan 0.000 0.510 207 A N 1.459 124.223 122.820 -0.094 0.000 2.401 207 A HA 0.043 4.371 4.320 0.013 0.000 0.259 207 A C 0.721 178.106 177.584 -0.332 0.000 1.103 207 A CA -0.245 51.619 52.037 -0.288 0.000 0.789 207 A CB 0.432 19.380 19.000 -0.088 0.000 1.035 207 A HN 0.088 nan 8.150 nan 0.000 0.491 208 E N 1.145 121.016 120.200 -0.548 0.000 2.274 208 E HA 0.114 4.472 4.350 0.013 0.000 0.194 208 E C 0.846 177.137 176.600 -0.514 0.000 0.996 208 E CA 0.800 56.886 56.400 -0.522 0.000 0.840 208 E CB 0.213 29.596 29.700 -0.529 0.000 0.772 208 E HN 0.815 nan 8.360 nan 0.000 0.491 209 G N 0.394 108.811 108.800 -0.637 0.000 2.667 209 G HA2 0.510 4.478 3.960 0.013 0.000 0.294 209 G HA3 0.510 4.478 3.960 0.013 0.000 0.294 209 G C -1.472 173.465 174.900 0.061 0.000 1.467 209 G CA -0.807 44.258 45.100 -0.057 0.000 0.852 209 G HN -0.024 nan 8.290 nan 0.000 0.521 210 I N 0.972 121.615 120.570 0.121 0.000 2.410 210 I HA 0.332 4.510 4.170 0.013 0.000 0.286 210 I C -0.917 175.278 176.117 0.130 0.000 1.009 210 I CA -0.697 60.636 61.300 0.054 0.000 1.111 210 I CB 1.907 39.835 38.000 -0.120 0.000 1.262 210 I HN 0.116 nan 8.210 nan 0.000 0.443 211 L N 7.350 128.638 121.223 0.109 0.000 2.275 211 L HA 0.512 4.859 4.340 0.013 0.000 0.288 211 L C -0.195 176.523 176.870 -0.253 0.000 1.046 211 L CA -0.373 54.486 54.840 0.031 0.000 0.805 211 L CB 1.568 43.649 42.059 0.036 0.000 1.193 211 L HN 0.327 nan 8.230 nan 0.000 0.426 212 V N 3.788 123.598 119.914 -0.174 0.000 2.540 212 V HA 0.458 4.585 4.120 0.013 0.000 0.302 212 V C -0.204 175.807 176.094 -0.140 0.000 1.035 212 V CA -0.660 61.520 62.300 -0.200 0.000 0.873 212 V CB 1.930 33.699 31.823 -0.090 0.000 0.992 212 V HN 0.796 nan 8.190 nan 0.000 0.428 213 N N 4.536 123.133 118.700 -0.171 0.000 3.050 213 N HA 0.296 5.043 4.740 0.013 0.000 0.289 213 N C -0.350 175.394 175.510 0.391 0.000 1.209 213 N CA 0.588 53.708 53.050 0.116 0.000 1.154 213 N CB -0.152 38.461 38.487 0.209 0.000 1.444 213 N HN 0.896 nan 8.380 nan 0.000 0.529 214 T N 0.399 115.153 114.554 0.333 0.000 2.671 214 T HA 0.680 5.038 4.350 0.013 0.000 0.300 214 T C -1.824 173.113 174.700 0.395 0.000 1.238 214 T CA -0.607 61.734 62.100 0.401 0.000 1.020 214 T CB 0.276 69.307 68.868 0.271 0.000 1.503 214 T HN 0.156 nan 8.240 nan 0.000 0.497 215 F N -0.255 119.810 119.950 0.192 0.000 2.645 215 F HA 0.681 5.216 4.527 0.012 0.000 0.310 215 F C 0.361 176.263 175.800 0.170 0.000 1.102 215 F CA -1.303 56.803 58.000 0.176 0.000 0.952 215 F CB 0.465 39.561 39.000 0.160 0.000 1.326 215 F HN 0.564 nan 8.300 nan 0.000 0.456 216 F N 1.670 121.775 119.950 0.258 0.000 2.043 216 F HA -0.138 4.397 4.527 0.013 0.000 0.297 216 F C 2.061 177.890 175.800 0.049 0.000 1.118 216 F CA 2.602 60.674 58.000 0.119 0.000 1.202 216 F CB -0.239 38.843 39.000 0.136 0.000 0.965 216 F HN 0.710 nan 8.300 nan 0.000 0.482 217 E N 0.009 120.294 120.200 0.142 0.000 2.209 217 E HA -0.196 4.161 4.350 0.013 0.000 0.196 217 E C 1.917 178.361 176.600 -0.260 0.000 0.993 217 E CA 1.136 57.518 56.400 -0.030 0.000 0.819 217 E CB -0.477 29.397 29.700 0.290 0.000 0.745 217 E HN 0.411 nan 8.360 nan 0.000 0.477 218 L N 0.545 121.410 121.223 -0.595 0.000 2.131 218 L HA 0.002 4.350 4.340 0.013 0.000 0.206 218 L C 0.198 176.875 176.870 -0.322 0.000 1.087 218 L CA 1.645 56.122 54.840 -0.606 0.000 0.767 218 L CB 0.284 41.672 42.059 -1.119 0.000 0.917 218 L HN -0.040 nan 8.230 nan 0.000 0.441 219 E N -0.755 119.251 120.200 -0.324 0.000 3.909 219 E HA 0.158 4.515 4.350 0.013 0.000 0.236 219 E C -2.003 174.416 176.600 -0.302 0.000 1.222 219 E CA -1.014 55.243 56.400 -0.239 0.000 1.205 219 E CB 0.706 30.305 29.700 -0.169 0.000 1.249 219 E HN 0.217 nan 8.360 nan 0.000 0.411 220 P HA -0.147 nan 4.420 nan 0.000 0.216 220 P C 0.852 177.955 177.300 -0.329 0.000 1.153 220 P CA 1.088 63.736 63.100 -0.754 0.000 0.848 220 P CB 0.379 31.550 31.700 -0.882 0.000 0.787 221 N N 0.195 118.769 118.700 -0.210 0.000 2.171 221 N HA -0.069 4.679 4.740 0.013 0.000 0.184 221 N C 1.909 177.367 175.510 -0.086 0.000 1.021 221 N CA 1.495 54.480 53.050 -0.109 0.000 0.854 221 N CB -0.867 37.563 38.487 -0.094 0.000 0.994 221 N HN 0.100 nan 8.380 nan 0.000 0.426 222 A N 1.155 123.910 122.820 -0.108 0.000 1.929 222 A HA 0.021 4.349 4.320 0.013 0.000 0.216 222 A C 2.318 179.854 177.584 -0.080 0.000 1.176 222 A CA 0.671 52.648 52.037 -0.099 0.000 0.628 222 A CB -0.519 18.408 19.000 -0.121 0.000 0.816 222 A HN 0.159 nan 8.150 nan 0.000 0.444 223 I N -0.469 120.062 120.570 -0.064 0.000 2.252 223 I HA -0.255 3.923 4.170 0.013 0.000 0.245 223 I C 2.445 178.583 176.117 0.036 0.000 1.102 223 I CA 1.435 62.735 61.300 0.000 0.000 1.385 223 I CB -0.237 37.812 38.000 0.082 0.000 1.064 223 I HN 0.259 nan 8.210 nan 0.000 0.414 224 K N 0.842 121.283 120.400 0.069 0.000 2.063 224 K HA -0.194 4.133 4.320 0.013 0.000 0.208 224 K C 2.256 178.862 176.600 0.009 0.000 1.048 224 K CA 1.661 57.993 56.287 0.076 0.000 0.928 224 K CB -0.302 32.259 32.500 0.101 0.000 0.713 224 K HN 0.333 nan 8.250 nan 0.000 0.442 225 A N 1.273 124.081 122.820 -0.019 0.000 1.902 225 A HA -0.124 4.203 4.320 0.013 0.000 0.217 225 A C 2.108 179.659 177.584 -0.054 0.000 1.181 225 A CA 1.222 53.234 52.037 -0.041 0.000 0.623 225 A CB -0.599 18.366 19.000 -0.058 0.000 0.818 225 A HN 0.169 nan 8.150 nan 0.000 0.443 226 L N -0.854 120.330 121.223 -0.065 0.000 2.131 226 L HA -0.211 4.136 4.340 0.013 0.000 0.210 226 L C 2.644 179.460 176.870 -0.090 0.000 1.092 226 L CA 1.267 56.055 54.840 -0.087 0.000 0.759 226 L CB -0.373 41.621 42.059 -0.109 0.000 0.903 226 L HN 0.489 nan 8.230 nan 0.000 0.435 227 Q N -0.330 119.427 119.800 -0.071 0.000 2.432 227 Q HA -0.008 4.339 4.340 0.013 0.000 0.205 227 Q C 0.093 176.054 176.000 -0.065 0.000 0.945 227 Q CA 0.094 55.848 55.803 -0.081 0.000 0.924 227 Q CB 0.243 28.946 28.738 -0.058 0.000 1.016 227 Q HN 0.491 nan 8.270 nan 0.000 0.503 228 E N 2.145 122.316 120.200 -0.049 0.000 2.376 228 E HA 0.064 4.422 4.350 0.013 0.000 0.266 228 E C -2.363 174.209 176.600 -0.046 0.000 1.009 228 E CA -1.943 54.433 56.400 -0.040 0.000 0.902 228 E CB 0.440 30.120 29.700 -0.032 0.000 0.972 228 E HN -0.022 nan 8.360 nan 0.000 0.439 229 P HA -0.054 nan 4.420 nan 0.000 0.264 229 P C -0.439 176.840 177.300 -0.035 0.000 1.173 229 P CA 0.419 63.496 63.100 -0.038 0.000 0.761 229 P CB 0.597 32.281 31.700 -0.028 0.000 0.794 230 G N 1.673 110.452 108.800 -0.035 0.000 2.698 230 G HA2 0.428 4.395 3.960 0.013 0.000 0.293 230 G HA3 0.428 4.395 3.960 0.013 0.000 0.293 230 G C -1.552 173.333 174.900 -0.025 0.000 1.437 230 G CA -0.800 44.282 45.100 -0.029 0.000 0.852 230 G HN 0.526 nan 8.290 nan 0.000 0.499 231 L N 1.514 122.726 121.223 -0.020 0.000 2.660 231 L HA 0.209 4.557 4.340 0.013 0.000 0.272 231 L C 0.471 177.330 176.870 -0.018 0.000 1.194 231 L CA 0.806 55.636 54.840 -0.017 0.000 0.945 231 L CB -0.443 41.607 42.059 -0.015 0.000 1.212 231 L HN 0.709 nan 8.230 nan 0.000 0.490 232 D N 1.993 122.383 120.400 -0.016 0.000 3.012 232 D HA -0.257 4.390 4.640 0.013 0.000 0.222 232 D C 0.165 176.457 176.300 -0.015 0.000 1.167 232 D CA 1.117 55.109 54.000 -0.013 0.000 0.854 232 D CB -0.590 40.204 40.800 -0.010 0.000 1.107 232 D HN 0.677 nan 8.370 nan 0.000 0.421 233 K N 1.088 121.473 120.400 -0.025 0.000 2.234 233 K HA 0.422 4.749 4.320 0.013 0.000 0.277 233 K C -2.456 174.114 176.600 -0.051 0.000 1.038 233 K CA -1.368 54.898 56.287 -0.034 0.000 0.888 233 K CB 1.340 33.813 32.500 -0.044 0.000 1.091 233 K HN -0.227 nan 8.250 nan 0.000 0.467 234 P HA 0.227 nan 4.420 nan 0.000 0.274 234 P C -2.650 174.572 177.300 -0.130 0.000 1.246 234 P CA -1.442 61.608 63.100 -0.084 0.000 0.795 234 P CB -0.033 31.614 31.700 -0.089 0.000 1.006 235 P HA 0.036 nan 4.420 nan 0.000 0.265 235 P C -0.835 176.189 177.300 -0.460 0.000 1.193 235 P CA 0.433 63.337 63.100 -0.327 0.000 0.765 235 P CB 0.240 31.780 31.700 -0.267 0.000 0.823 236 V N 5.097 124.685 119.914 -0.544 0.000 2.448 236 V HA 0.301 4.428 4.120 0.013 0.000 0.295 236 V C -0.768 175.011 176.094 -0.526 0.000 1.025 236 V CA -0.405 61.649 62.300 -0.410 0.000 0.859 236 V CB 0.922 32.607 31.823 -0.231 0.000 0.988 236 V HN 0.371 nan 8.190 nan 0.000 0.431 237 Y N 5.634 125.921 120.300 -0.021 0.000 2.464 237 Y HA 0.457 5.014 4.550 0.012 0.000 0.326 237 Y C -2.432 173.474 175.900 0.009 0.000 0.969 237 Y CA -3.172 54.928 58.100 -0.000 0.000 1.270 237 Y CB 1.488 39.948 38.460 0.001 0.000 1.103 237 Y HN 0.468 nan 8.280 nan 0.000 0.491 238 P HA 0.051 nan 4.420 nan 0.000 0.271 238 P C 0.473 177.893 177.300 0.199 0.000 1.226 238 P CA 0.088 63.283 63.100 0.159 0.000 0.765 238 P CB 1.066 32.876 31.700 0.184 0.000 0.835 239 V N 0.777 120.808 119.914 0.196 0.000 3.330 239 V HA 0.469 4.596 4.120 0.013 0.000 0.309 239 V C 0.659 176.905 176.094 0.254 0.000 1.481 239 V CA 0.252 62.685 62.300 0.222 0.000 1.068 239 V CB 0.151 32.123 31.823 0.248 0.000 0.935 239 V HN 0.461 nan 8.190 nan 0.000 0.453 240 G N 1.742 110.710 108.800 0.281 0.000 2.543 240 G HA2 0.598 4.565 3.960 0.013 0.000 0.290 240 G HA3 0.598 4.565 3.960 0.013 0.000 0.290 240 G C -2.824 172.225 174.900 0.247 0.000 1.310 240 G CA -1.563 43.723 45.100 0.310 0.000 1.025 240 G HN 0.331 nan 8.290 nan 0.000 0.502 241 P HA 0.264 nan 4.420 nan 0.000 0.292 241 P C -0.516 176.881 177.300 0.161 0.000 1.326 241 P CA -0.183 63.044 63.100 0.211 0.000 0.787 241 P CB 0.997 32.792 31.700 0.157 0.000 0.903 242 L N 5.327 126.692 121.223 0.236 0.000 2.268 242 L HA 0.410 4.758 4.340 0.013 0.000 0.289 242 L C 0.727 177.717 176.870 0.199 0.000 1.064 242 L CA -0.587 54.397 54.840 0.241 0.000 0.824 242 L CB 0.774 43.051 42.059 0.363 0.000 1.202 242 L HN 0.246 nan 8.230 nan 0.000 0.433 243 V N 0.063 120.058 119.914 0.136 0.000 3.159 243 V HA 0.505 4.633 4.120 0.013 0.000 0.308 243 V C -0.448 175.694 176.094 0.081 0.000 1.190 243 V CA -1.080 61.282 62.300 0.103 0.000 1.037 243 V CB 2.109 33.971 31.823 0.065 0.000 1.060 243 V HN 0.603 nan 8.190 nan 0.000 0.437 244 N N 1.812 120.554 118.700 0.070 0.000 2.405 244 N HA 0.239 4.986 4.740 0.013 0.000 0.260 244 N C 0.795 176.319 175.510 0.022 0.000 1.152 244 N CA -0.079 53.001 53.050 0.050 0.000 0.948 244 N CB 0.810 39.329 38.487 0.053 0.000 1.111 244 N HN 0.909 nan 8.380 nan 0.000 0.485 245 I N 0.614 121.193 120.570 0.015 0.000 3.564 245 I HA 0.291 4.468 4.170 0.013 0.000 0.294 245 I C 1.097 177.202 176.117 -0.021 0.000 1.289 245 I CA 0.146 61.444 61.300 -0.004 0.000 1.325 245 I CB -0.363 37.634 38.000 -0.005 0.000 1.039 245 I HN 0.533 nan 8.210 nan 0.000 0.474 246 G N 1.919 110.709 108.800 -0.017 0.000 2.142 246 G HA2 -0.215 3.752 3.960 0.013 0.000 0.225 246 G HA3 -0.215 3.752 3.960 0.013 0.000 0.225 246 G C 0.621 175.503 174.900 -0.030 0.000 1.015 246 G CA 0.048 45.129 45.100 -0.032 0.000 0.716 246 G HN 0.342 nan 8.290 nan 0.000 0.508 247 K N -0.330 120.058 120.400 -0.020 0.000 2.374 247 K HA 0.126 4.453 4.320 0.013 0.000 0.196 247 K C 1.161 177.753 176.600 -0.014 0.000 1.023 247 K CA 0.239 56.513 56.287 -0.022 0.000 1.103 247 K CB 0.210 32.697 32.500 -0.022 0.000 0.848 247 K HN 0.536 nan 8.250 nan 0.000 0.528 248 Q N 1.156 120.955 119.800 -0.003 0.000 2.340 248 Q HA 0.061 4.409 4.340 0.013 0.000 0.249 248 Q C 0.290 176.292 176.000 0.004 0.000 0.957 248 Q CA 0.070 55.877 55.803 0.006 0.000 0.882 248 Q CB 0.910 29.659 28.738 0.019 0.000 1.235 248 Q HN 0.180 nan 8.270 nan 0.000 0.439 256 S N 0.506 116.227 115.700 0.036 0.000 2.368 256 S HA -0.207 4.271 4.470 0.013 0.000 0.225 256 S C 1.810 176.410 174.600 0.000 0.000 1.030 256 S CA 2.013 60.225 58.200 0.019 0.000 0.999 256 S CB -0.284 62.935 63.200 0.032 0.000 0.844 256 S HN 0.400 nan 8.310 nan 0.000 0.459 257 E N 0.022 120.237 120.200 0.025 0.000 2.077 257 E HA -0.177 4.180 4.350 0.013 0.000 0.193 257 E C 2.486 178.980 176.600 -0.177 0.000 0.989 257 E CA 1.584 58.006 56.400 0.036 0.000 0.800 257 E CB -0.338 29.466 29.700 0.173 0.000 0.746 257 E HN 0.847 nan 8.360 nan 0.000 0.452 258 C N -0.112 118.951 119.300 -0.396 0.000 2.440 258 C HA 0.025 4.493 4.460 0.013 0.000 0.278 258 C C 2.514 177.262 174.990 -0.404 0.000 1.295 258 C CA 0.072 58.513 59.018 -0.961 0.000 1.738 258 C CB -1.210 26.027 27.740 -0.838 0.000 1.987 258 C HN 0.369 nan 8.230 nan 0.000 0.492 259 L N 0.850 121.954 121.223 -0.197 0.000 2.093 259 L HA -0.062 4.286 4.340 0.013 0.000 0.208 259 L C 2.977 179.808 176.870 -0.065 0.000 1.085 259 L CA 1.599 56.374 54.840 -0.108 0.000 0.755 259 L CB -0.616 41.422 42.059 -0.034 0.000 0.904 259 L HN 0.345 nan 8.230 nan 0.000 0.435 260 K N -0.748 119.627 120.400 -0.042 0.000 2.057 260 K HA -0.242 4.085 4.320 0.013 0.000 0.207 260 K C 1.928 178.523 176.600 -0.009 0.000 1.049 260 K CA 1.858 58.142 56.287 -0.005 0.000 0.931 260 K CB -0.327 32.187 32.500 0.024 0.000 0.714 260 K HN 0.276 nan 8.250 nan 0.000 0.440 261 W N 1.610 122.786 121.300 -0.207 0.000 2.333 261 W HA -0.245 4.421 4.660 0.010 0.000 0.316 261 W C 1.778 178.172 176.519 -0.207 0.000 1.215 261 W CA 1.116 58.348 57.345 -0.189 0.000 1.278 261 W CB -0.485 28.797 29.460 -0.298 0.000 1.154 261 W HN -0.015 nan 8.180 nan 0.000 0.486 262 L N 1.399 122.490 121.223 -0.219 0.000 2.042 262 L HA -0.254 4.094 4.340 0.013 0.000 0.210 262 L C 1.899 178.455 176.870 -0.523 0.000 1.076 262 L CA 2.393 56.906 54.840 -0.544 0.000 0.749 262 L CB -1.313 40.368 42.059 -0.629 0.000 0.893 262 L HN -0.052 nan 8.230 nan 0.000 0.432 263 D N -0.426 119.856 120.400 -0.197 0.000 2.190 263 D HA -0.170 4.477 4.640 0.013 0.000 0.200 263 D C 1.490 177.727 176.300 -0.105 0.000 0.992 263 D CA 1.023 55.041 54.000 0.031 0.000 0.854 263 D CB -0.269 40.554 40.800 0.037 0.000 0.936 263 D HN 0.425 nan 8.370 nan 0.000 0.462 264 N N 0.786 119.337 118.700 -0.248 0.000 2.398 264 N HA -0.027 4.721 4.740 0.013 0.000 0.188 264 N C 0.083 175.387 175.510 -0.342 0.000 1.122 264 N CA 0.309 53.199 53.050 -0.266 0.000 0.866 264 N CB 0.394 38.725 38.487 -0.259 0.000 0.970 264 N HN 0.276 nan 8.380 nan 0.000 0.462 265 Q N 0.497 120.052 119.800 -0.409 0.000 2.257 265 Q HA 0.479 4.826 4.340 0.013 0.000 0.262 265 Q C -2.367 173.518 176.000 -0.192 0.000 0.997 265 Q CA -2.176 53.402 55.803 -0.374 0.000 0.873 265 Q CB 0.531 28.929 28.738 -0.567 0.000 1.312 265 Q HN -0.018 nan 8.270 nan 0.000 0.450 266 P HA 0.023 nan 4.420 nan 0.000 0.267 266 P C -0.135 177.137 177.300 -0.047 0.000 1.200 266 P CA -0.174 62.883 63.100 -0.071 0.000 0.772 266 P CB 0.417 32.087 31.700 -0.052 0.000 0.855 267 L N 1.931 123.139 121.223 -0.024 0.000 2.653 267 L HA -0.061 4.286 4.340 0.013 0.000 0.288 267 L C 1.732 178.603 176.870 0.002 0.000 1.243 267 L CA 1.188 56.025 54.840 -0.005 0.000 0.906 267 L CB -1.068 40.986 42.059 -0.008 0.000 1.154 267 L HN 0.845 nan 8.230 nan 0.000 0.498 268 G N 1.854 110.663 108.800 0.015 0.000 2.168 268 G HA2 -0.352 3.615 3.960 0.013 0.000 0.257 268 G HA3 -0.352 3.615 3.960 0.013 0.000 0.257 268 G C 0.911 175.829 174.900 0.030 0.000 0.997 268 G CA 0.728 45.843 45.100 0.025 0.000 0.708 268 G HN 0.825 nan 8.290 nan 0.000 0.520 269 S N -2.028 113.681 115.700 0.016 0.000 2.503 269 S HA 0.481 4.959 4.470 0.013 0.000 0.215 269 S C 0.741 175.378 174.600 0.061 0.000 1.003 269 S CA 0.637 58.852 58.200 0.025 0.000 0.910 269 S CB 0.787 63.981 63.200 -0.010 0.000 0.790 269 S HN 0.751 nan 8.310 nan 0.000 0.514 270 V N 2.930 122.882 119.914 0.064 0.000 2.394 270 V HA 0.465 4.593 4.120 0.013 0.000 0.282 270 V C -0.327 175.879 176.094 0.186 0.000 1.031 270 V CA -0.847 61.536 62.300 0.139 0.000 0.881 270 V CB 1.260 33.154 31.823 0.119 0.000 0.982 270 V HN 0.487 nan 8.190 nan 0.000 0.451 271 L N 6.439 127.812 121.223 0.251 0.000 2.325 271 L HA 0.366 4.713 4.340 0.013 0.000 0.284 271 L C -0.527 176.534 176.870 0.319 0.000 1.089 271 L CA 0.086 55.079 54.840 0.256 0.000 0.836 271 L CB 0.187 42.382 42.059 0.226 0.000 1.184 271 L HN 0.651 nan 8.230 nan 0.000 0.444 272 Y N 5.125 125.493 120.300 0.113 0.000 2.319 272 Y HA 0.522 5.079 4.550 0.012 0.000 0.328 272 Y C -0.719 175.248 175.900 0.111 0.000 1.133 272 Y CA -0.527 57.598 58.100 0.042 0.000 1.265 272 Y CB 1.010 39.340 38.460 -0.218 0.000 1.218 272 Y HN 0.344 nan 8.280 nan 0.000 0.508 273 V N 5.732 125.411 119.914 -0.393 0.000 2.482 273 V HA 0.523 4.651 4.120 0.013 0.000 0.295 273 V C -0.761 174.908 176.094 -0.708 0.000 1.026 273 V CA -0.553 61.450 62.300 -0.496 0.000 0.856 273 V CB 1.226 32.767 31.823 -0.470 0.000 1.001 273 V HN 0.779 nan 8.190 nan 0.000 0.424 274 S N 3.776 118.987 115.700 -0.815 0.000 2.535 274 S HA 0.710 5.187 4.470 0.013 0.000 0.272 274 S C -1.160 172.990 174.600 -0.751 0.000 1.149 274 S CA -0.356 57.456 58.200 -0.645 0.000 0.888 274 S CB 1.265 64.127 63.200 -0.562 0.000 1.110 274 S HN 0.424 nan 8.310 nan 0.000 0.463 275 F N 3.205 123.047 119.950 -0.180 0.000 2.923 275 F HA 0.567 5.100 4.527 0.011 0.000 0.314 275 F C 1.354 176.711 175.800 -0.739 0.000 1.196 275 F CA 0.409 58.206 58.000 -0.338 0.000 1.320 275 F CB 0.628 39.540 39.000 -0.147 0.000 0.953 275 F HN 1.058 nan 8.300 nan 0.000 0.505 276 G N 0.975 109.422 108.800 -0.589 0.000 2.681 276 G HA2 -0.269 3.698 3.960 0.013 0.000 0.220 276 G HA3 -0.269 3.698 3.960 0.013 0.000 0.220 276 G C 0.866 175.671 174.900 -0.158 0.000 1.353 276 G CA -0.100 44.726 45.100 -0.458 0.000 0.872 276 G HN 0.512 nan 8.290 nan 0.000 0.557 277 S N -1.180 114.516 115.700 -0.007 0.000 2.527 277 S HA 0.404 4.881 4.470 0.013 0.000 0.222 277 S C 1.739 176.333 174.600 -0.011 0.000 0.985 277 S CA 1.221 59.467 58.200 0.077 0.000 0.921 277 S CB 0.566 63.848 63.200 0.137 0.000 0.772 277 S HN 2.216 nan 8.310 nan 0.000 0.529 278 G N 0.025 108.872 108.800 0.077 0.000 3.815 278 G HA2 0.525 4.493 3.960 0.013 0.000 0.265 278 G HA3 0.525 4.493 3.960 0.013 0.000 0.265 278 G C 0.250 175.273 174.900 0.206 0.000 1.026 278 G CA 0.028 45.208 45.100 0.133 0.000 0.868 278 G HN 0.629 nan 8.290 nan 0.000 0.476 279 G N 0.482 109.433 108.800 0.251 0.000 2.371 279 G HA2 0.575 4.543 3.960 0.013 0.000 0.326 279 G HA3 0.575 4.543 3.960 0.013 0.000 0.326 279 G C -0.213 174.758 174.900 0.119 0.000 1.127 279 G CA 0.003 45.289 45.100 0.309 0.000 0.885 279 G HN 0.477 nan 8.290 nan 0.000 0.477 280 T N -0.929 113.641 114.554 0.027 0.000 2.896 280 T HA 0.709 5.066 4.350 0.013 0.000 0.297 280 T C -0.319 174.280 174.700 -0.168 0.000 1.108 280 T CA -0.830 61.220 62.100 -0.083 0.000 1.004 280 T CB 1.583 70.411 68.868 -0.065 0.000 1.159 280 T HN 0.350 nan 8.240 nan 0.000 0.499 281 L N 1.565 122.648 121.223 -0.233 0.000 2.332 281 L HA 0.637 4.985 4.340 0.013 0.000 0.269 281 L C 1.205 178.010 176.870 -0.108 0.000 1.016 281 L CA -1.258 53.465 54.840 -0.195 0.000 0.809 281 L CB 1.788 43.681 42.059 -0.277 0.000 1.280 281 L HN 1.029 nan 8.230 nan 0.000 0.447 282 T N -3.212 111.310 114.554 -0.053 0.000 2.795 282 T HA -0.005 4.352 4.350 0.013 0.000 0.314 282 T C 1.358 176.037 174.700 -0.035 0.000 1.069 282 T CA -0.264 61.816 62.100 -0.034 0.000 1.071 282 T CB 0.715 69.582 68.868 -0.002 0.000 0.988 282 T HN 0.869 nan 8.240 nan 0.000 0.543 283 C N 0.247 119.536 119.300 -0.017 0.000 2.440 283 C HA 0.031 4.498 4.460 0.013 0.000 0.278 283 C C 2.349 177.356 174.990 0.029 0.000 1.295 283 C CA 0.627 59.654 59.018 0.014 0.000 1.738 283 C CB -1.534 26.248 27.740 0.070 0.000 1.987 283 C HN 0.945 nan 8.230 nan 0.000 0.492 284 E N 0.525 120.741 120.200 0.026 0.000 2.077 284 E HA -0.261 4.096 4.350 0.013 0.000 0.193 284 E C 2.303 178.922 176.600 0.031 0.000 0.989 284 E CA 1.678 58.095 56.400 0.029 0.000 0.800 284 E CB -0.281 29.435 29.700 0.026 0.000 0.746 284 E HN 0.669 nan 8.360 nan 0.000 0.452 285 Q N 1.134 120.954 119.800 0.033 0.000 2.119 285 Q HA -0.104 4.243 4.340 0.013 0.000 0.201 285 Q C 2.057 178.065 176.000 0.012 0.000 0.972 285 Q CA 0.922 56.760 55.803 0.058 0.000 0.847 285 Q CB -0.290 28.508 28.738 0.099 0.000 0.903 285 Q HN 0.314 nan 8.270 nan 0.000 0.433 286 L N 0.195 121.410 121.223 -0.014 0.000 2.012 286 L HA -0.251 4.097 4.340 0.013 0.000 0.210 286 L C 2.260 179.138 176.870 0.012 0.000 1.073 286 L CA 1.926 56.772 54.840 0.009 0.000 0.748 286 L CB -0.534 41.541 42.059 0.025 0.000 0.891 286 L HN 0.445 nan 8.230 nan 0.000 0.431 287 N N -0.609 118.099 118.700 0.013 0.000 2.069 287 N HA -0.237 4.511 4.740 0.013 0.000 0.191 287 N C 1.656 177.150 175.510 -0.027 0.000 1.031 287 N CA 1.582 54.630 53.050 -0.003 0.000 0.852 287 N CB 0.057 38.557 38.487 0.021 0.000 1.018 287 N HN 0.417 nan 8.380 nan 0.000 0.423 288 E N 0.951 121.148 120.200 -0.004 0.000 2.106 288 E HA -0.145 4.213 4.350 0.013 0.000 0.192 288 E C 2.032 178.613 176.600 -0.032 0.000 0.984 288 E CA 0.325 56.729 56.400 0.007 0.000 0.806 288 E CB -0.399 29.330 29.700 0.047 0.000 0.750 288 E HN 0.333 nan 8.360 nan 0.000 0.458 289 L N 1.188 122.359 121.223 -0.086 0.000 1.994 289 L HA -0.119 4.228 4.340 0.013 0.000 0.208 289 L C 2.252 178.890 176.870 -0.387 0.000 1.071 289 L CA 2.242 56.923 54.840 -0.265 0.000 0.745 289 L CB -0.961 40.807 42.059 -0.484 0.000 0.892 289 L HN 0.042 nan 8.230 nan 0.000 0.431 290 A N -0.221 122.376 122.820 -0.373 0.000 1.884 290 A HA -0.252 4.075 4.320 0.013 0.000 0.219 290 A C 2.290 179.766 177.584 -0.179 0.000 1.197 290 A CA 2.450 54.200 52.037 -0.478 0.000 0.637 290 A CB -1.191 17.397 19.000 -0.687 0.000 0.827 290 A HN 0.541 nan 8.150 nan 0.000 0.450 291 L N -0.920 120.259 121.223 -0.073 0.000 2.042 291 L HA -0.156 4.192 4.340 0.013 0.000 0.210 291 L C 2.834 179.737 176.870 0.054 0.000 1.076 291 L CA 1.246 56.121 54.840 0.059 0.000 0.749 291 L CB -0.888 41.197 42.059 0.044 0.000 0.893 291 L HN 0.522 nan 8.230 nan 0.000 0.432 292 G N -0.245 108.549 108.800 -0.010 0.000 2.422 292 G HA2 -0.147 3.821 3.960 0.013 0.000 0.218 292 G HA3 -0.147 3.821 3.960 0.013 0.000 0.218 292 G C 1.656 176.535 174.900 -0.035 0.000 1.140 292 G CA 0.304 45.400 45.100 -0.006 0.000 0.775 292 G HN 0.194 nan 8.290 nan 0.000 0.545 293 L N 0.586 121.727 121.223 -0.137 0.000 2.027 293 L HA -0.034 4.314 4.340 0.013 0.000 0.206 293 L C 3.411 180.261 176.870 -0.033 0.000 1.074 293 L CA 1.048 55.735 54.840 -0.256 0.000 0.745 293 L CB -0.393 41.222 42.059 -0.739 0.000 0.898 293 L HN 0.293 nan 8.230 nan 0.000 0.433 294 A N -0.036 122.873 122.820 0.148 0.000 1.877 294 A HA -0.252 4.075 4.320 0.013 0.000 0.216 294 A C 1.920 179.598 177.584 0.157 0.000 1.186 294 A CA 2.061 54.241 52.037 0.239 0.000 0.620 294 A CB -0.650 18.544 19.000 0.324 0.000 0.822 294 A HN 0.365 nan 8.150 nan 0.000 0.443 295 D N 0.193 120.663 120.400 0.117 0.000 2.158 295 D HA -0.163 4.485 4.640 0.013 0.000 0.197 295 D C 2.402 178.752 176.300 0.083 0.000 0.995 295 D CA 1.838 55.891 54.000 0.088 0.000 0.846 295 D CB -0.437 40.403 40.800 0.067 0.000 0.941 295 D HN 0.604 nan 8.370 nan 0.000 0.456 296 S N 0.096 115.845 115.700 0.082 0.000 2.419 296 S HA -0.194 4.283 4.470 0.013 0.000 0.233 296 S C 0.961 175.625 174.600 0.106 0.000 1.016 296 S CA 1.265 59.515 58.200 0.083 0.000 0.974 296 S CB -0.256 62.990 63.200 0.076 0.000 0.786 296 S HN 0.387 nan 8.310 nan 0.000 0.492 297 E N -0.525 119.755 120.200 0.134 0.000 3.547 297 E HA -0.177 4.181 4.350 0.013 0.000 0.300 297 E C -0.621 176.076 176.600 0.162 0.000 0.857 297 E CA 0.944 57.428 56.400 0.141 0.000 1.039 297 E CB -1.219 28.540 29.700 0.098 0.000 1.524 297 E HN 0.648 nan 8.360 nan 0.000 0.457 298 Q N 0.622 120.539 119.800 0.195 0.000 2.306 298 Q HA 0.316 4.664 4.340 0.013 0.000 0.241 298 Q C 0.403 176.596 176.000 0.321 0.000 0.948 298 Q CA 0.029 55.961 55.803 0.214 0.000 0.886 298 Q CB 0.701 29.555 28.738 0.194 0.000 1.227 298 Q HN 0.171 nan 8.270 nan 0.000 0.457 299 R N 1.150 121.803 120.500 0.254 0.000 2.594 299 R HA 0.408 4.755 4.340 0.013 0.000 0.272 299 R C -0.247 176.294 176.300 0.403 0.000 1.074 299 R CA 0.127 56.392 56.100 0.275 0.000 1.105 299 R CB 0.299 30.714 30.300 0.193 0.000 1.008 299 R HN 0.509 nan 8.270 nan 0.000 0.472 300 F N -0.413 119.748 119.950 0.351 0.000 2.654 300 F HA 0.522 5.056 4.527 0.011 0.000 0.308 300 F C -1.763 174.203 175.800 0.277 0.000 1.108 300 F CA -1.375 56.793 58.000 0.279 0.000 0.957 300 F CB 1.330 40.442 39.000 0.187 0.000 1.309 300 F HN 0.308 nan 8.300 nan 0.000 0.446 301 L N 3.374 124.872 121.223 0.458 0.000 2.415 301 L HA 0.453 4.801 4.340 0.013 0.000 0.268 301 L C -2.136 175.026 176.870 0.487 0.000 0.984 301 L CA -0.437 54.611 54.840 0.346 0.000 0.853 301 L CB 1.080 43.353 42.059 0.358 0.000 1.215 301 L HN 0.879 nan 8.230 nan 0.000 0.419 302 W N 6.747 128.217 121.300 0.283 0.000 2.361 302 W HA 0.519 5.188 4.660 0.016 0.000 0.314 302 W C -1.400 175.178 176.519 0.099 0.000 1.041 302 W CA -1.180 56.261 57.345 0.160 0.000 1.241 302 W CB 1.395 31.011 29.460 0.261 0.000 1.279 302 W HN 0.118 nan 8.180 nan 0.000 0.436 303 V N 9.389 129.477 119.914 0.290 0.000 2.389 303 V HA 0.204 4.331 4.120 0.013 0.000 0.264 303 V C 0.343 176.446 176.094 0.015 0.000 1.049 303 V CA -0.512 61.842 62.300 0.090 0.000 0.932 303 V CB 0.376 32.212 31.823 0.021 0.000 1.011 303 V HN 0.533 nan 8.190 nan 0.000 0.475 304 I N 5.936 126.358 120.570 -0.248 0.000 2.460 304 I HA 0.614 4.792 4.170 0.013 0.000 0.298 304 I C 0.009 176.074 176.117 -0.087 0.000 0.989 304 I CA -0.627 60.434 61.300 -0.398 0.000 1.173 304 I CB 1.245 38.667 38.000 -0.964 0.000 1.338 304 I HN 0.581 nan 8.210 nan 0.000 0.456 305 R N 4.092 124.579 120.500 -0.021 0.000 2.807 305 R HA 0.460 4.807 4.340 0.013 0.000 0.276 305 R C -0.613 175.617 176.300 -0.116 0.000 0.979 305 R CA -0.855 55.263 56.100 0.029 0.000 0.928 305 R CB 2.071 32.433 30.300 0.102 0.000 1.191 305 R HN 0.576 nan 8.270 nan 0.000 0.471 306 S N 3.425 119.021 115.700 -0.172 0.000 2.560 306 S HA 0.105 4.583 4.470 0.013 0.000 0.284 306 S C -1.947 172.364 174.600 -0.482 0.000 1.327 306 S CA -0.730 57.166 58.200 -0.506 0.000 1.055 306 S CB 0.331 63.249 63.200 -0.470 0.000 0.868 306 S HN 0.395 nan 8.310 nan 0.000 0.506 307 P HA 0.252 nan 4.420 nan 0.000 0.274 307 P C -0.568 176.574 177.300 -0.263 0.000 1.246 307 P CA -0.323 62.553 63.100 -0.373 0.000 0.795 307 P CB 0.881 32.387 31.700 -0.324 0.000 1.006 308 S N -0.765 114.848 115.700 -0.145 0.000 2.547 308 S HA 0.541 5.018 4.470 0.013 0.000 0.270 308 S C 0.991 175.562 174.600 -0.048 0.000 1.150 308 S CA -0.173 57.977 58.200 -0.083 0.000 0.850 308 S CB 0.709 63.869 63.200 -0.067 0.000 1.118 308 S HN 0.484 nan 8.310 nan 0.000 0.461 309 G N 1.542 110.327 108.800 -0.026 0.000 2.744 309 G HA2 0.211 4.178 3.960 0.013 0.000 0.211 309 G HA3 0.211 4.178 3.960 0.013 0.000 0.211 309 G C 0.189 175.085 174.900 -0.007 0.000 1.143 309 G CA 0.311 45.404 45.100 -0.010 0.000 0.788 309 G HN 0.624 nan 8.290 nan 0.000 0.534 310 I N 0.898 121.458 120.570 -0.016 0.000 2.355 310 I HA 0.307 4.485 4.170 0.013 0.000 0.288 310 I C 1.354 177.449 176.117 -0.036 0.000 0.999 310 I CA -0.834 60.455 61.300 -0.019 0.000 1.163 310 I CB 2.023 40.011 38.000 -0.020 0.000 1.316 310 I HN 0.025 nan 8.210 nan 0.000 0.454 311 A N 5.266 128.074 122.820 -0.020 0.000 2.019 311 A HA -0.171 4.157 4.320 0.013 0.000 0.219 311 A C 1.418 178.931 177.584 -0.118 0.000 1.164 311 A CA 1.726 53.770 52.037 0.011 0.000 0.644 311 A CB -0.501 18.593 19.000 0.157 0.000 0.805 311 A HN 0.862 nan 8.150 nan 0.000 0.449 312 N N -0.562 117.927 118.700 -0.351 0.000 2.275 312 N HA 0.009 4.756 4.740 0.013 0.000 0.236 312 N C 0.821 176.207 175.510 -0.206 0.000 1.154 312 N CA 0.792 53.450 53.050 -0.653 0.000 0.866 312 N CB -0.647 37.070 38.487 -1.284 0.000 1.093 312 N HN 0.313 nan 8.380 nan 0.000 0.515 313 S N -0.198 115.451 115.700 -0.085 0.000 2.419 313 S HA -0.190 4.287 4.470 0.013 0.000 0.235 313 S C 1.520 176.167 174.600 0.079 0.000 1.019 313 S CA 1.081 59.286 58.200 0.008 0.000 0.982 313 S CB -0.740 62.458 63.200 -0.004 0.000 0.789 313 S HN 0.462 nan 8.310 nan 0.000 0.490 314 S N -0.636 115.112 115.700 0.081 0.000 2.597 314 S HA 0.223 4.701 4.470 0.013 0.000 0.224 314 S C 1.087 175.766 174.600 0.130 0.000 0.955 314 S CA -0.509 57.776 58.200 0.141 0.000 0.933 314 S CB -0.826 62.482 63.200 0.180 0.000 0.788 314 S HN 0.517 nan 8.310 nan 0.000 0.488 315 Y N 1.878 122.150 120.300 -0.047 0.000 2.193 315 Y HA -0.099 4.459 4.550 0.012 0.000 0.285 315 Y C 0.984 176.700 175.900 -0.306 0.000 1.166 315 Y CA 1.700 59.664 58.100 -0.226 0.000 1.181 315 Y CB -0.188 38.013 38.460 -0.432 0.000 0.976 315 Y HN 0.410 nan 8.280 nan 0.000 0.520 316 F N -0.568 119.497 119.950 0.193 0.000 2.695 316 F HA 0.166 4.700 4.527 0.013 0.000 0.303 316 F C 0.232 176.083 175.800 0.084 0.000 1.091 316 F CA -0.493 57.585 58.000 0.131 0.000 1.300 316 F CB -0.020 39.076 39.000 0.160 0.000 1.071 316 F HN -0.195 nan 8.300 nan 0.000 0.578 317 D N -0.100 120.441 120.400 0.235 0.000 2.350 317 D HA 0.079 4.727 4.640 0.013 0.000 0.249 317 D C 1.296 177.755 176.300 0.265 0.000 1.119 317 D CA 0.171 54.296 54.000 0.208 0.000 0.886 317 D CB 1.452 42.379 40.800 0.212 0.000 1.195 317 D HN 0.066 nan 8.370 nan 0.000 0.437 318 S N 1.603 117.424 115.700 0.201 0.000 2.501 318 S HA -0.012 4.466 4.470 0.013 0.000 0.220 318 S C 0.762 175.538 174.600 0.293 0.000 0.997 318 S CA 0.317 58.659 58.200 0.237 0.000 0.919 318 S CB -0.120 63.201 63.200 0.201 0.000 0.778 318 S HN 0.721 nan 8.310 nan 0.000 0.523 319 H N -0.661 118.316 119.070 -0.155 0.000 2.902 319 H HA 0.583 5.146 4.556 0.013 0.000 0.297 319 H C -1.741 172.979 175.328 -1.012 0.000 1.406 319 H CA -0.566 55.014 56.048 -0.780 0.000 1.134 319 H CB 0.897 30.446 29.762 -0.355 0.000 1.833 319 H HN 0.046 nan 8.280 nan 0.000 0.527 320 S N -0.790 114.271 115.700 -1.066 0.000 2.489 320 S HA 0.451 4.929 4.470 0.013 0.000 0.291 320 S C 0.926 175.358 174.600 -0.280 0.000 1.151 320 S CA 0.548 58.382 58.200 -0.609 0.000 1.082 320 S CB 1.195 64.162 63.200 -0.389 0.000 1.019 320 S HN 0.852 nan 8.310 nan 0.000 0.492 321 Q N 2.208 121.876 119.800 -0.221 0.000 2.204 321 Q HA 0.150 4.498 4.340 0.013 0.000 0.198 321 Q C 1.167 177.164 176.000 -0.005 0.000 0.946 321 Q CA 1.348 57.111 55.803 -0.066 0.000 0.859 321 Q CB -0.981 nan 28.738 nan 0.000 0.946 321 Q HN 0.910 nan 8.270 nan 0.000 0.474 322 T N -1.570 112.990 114.554 0.009 0.000 2.943 322 T HA 0.450 4.807 4.350 0.013 0.000 0.284 322 T C -0.647 174.105 174.700 0.087 0.000 1.015 322 T CA -0.275 61.875 62.100 0.083 0.000 1.042 322 T CB 1.487 70.481 68.868 0.210 0.000 1.055 322 T HN 0.230 nan 8.240 nan 0.000 0.500 323 D N 1.888 122.346 120.400 0.097 0.000 2.336 323 D HA 0.281 4.929 4.640 0.013 0.000 0.249 323 D C -1.594 174.811 176.300 0.175 0.000 1.213 323 D CA -2.461 51.587 54.000 0.081 0.000 0.870 323 D CB 1.267 42.085 40.800 0.029 0.000 1.076 323 D HN 0.154 nan 8.370 nan 0.000 0.483 324 P HA -0.093 nan 4.420 nan 0.000 0.219 324 P C 1.566 178.973 177.300 0.178 0.000 1.146 324 P CA 0.769 63.964 63.100 0.159 0.000 0.808 324 P CB 0.206 31.895 31.700 -0.017 0.000 0.779 325 L N -0.923 120.335 121.223 0.059 0.000 2.275 325 L HA -0.110 4.238 4.340 0.013 0.000 0.215 325 L C 2.237 179.125 176.870 0.030 0.000 1.119 325 L CA 1.931 56.778 54.840 0.012 0.000 0.790 325 L CB -1.570 40.477 42.059 -0.021 0.000 0.919 325 L HN 0.164 nan 8.230 nan 0.000 0.443 326 T N -3.739 110.820 114.554 0.009 0.000 3.072 326 T HA -0.111 4.246 4.350 0.013 0.000 0.266 326 T C 1.236 175.779 174.700 -0.261 0.000 1.127 326 T CA 0.720 62.727 62.100 -0.154 0.000 1.107 326 T CB -0.404 68.300 68.868 -0.273 0.000 0.910 326 T HN 0.190 nan 8.240 nan 0.000 0.513 327 F N 0.830 120.753 119.950 -0.046 0.000 2.765 327 F HA 0.476 5.011 4.527 0.012 0.000 0.302 327 F C 0.863 176.632 175.800 -0.051 0.000 1.111 327 F CA -0.659 57.315 58.000 -0.044 0.000 1.359 327 F CB -0.078 38.891 39.000 -0.051 0.000 1.097 327 F HN 0.078 nan 8.300 nan 0.000 0.577 328 L N 1.959 123.230 121.223 0.081 0.000 2.418 328 L HA 0.278 4.626 4.340 0.013 0.000 0.265 328 L C -1.782 175.120 176.870 0.054 0.000 1.143 328 L CA -2.096 52.756 54.840 0.019 0.000 0.809 328 L CB 0.220 42.309 42.059 0.049 0.000 1.124 328 L HN -0.186 nan 8.230 nan 0.000 0.456 329 P HA 0.200 nan 4.420 nan 0.000 0.272 329 P C -2.595 174.788 177.300 0.137 0.000 1.240 329 P CA -1.489 61.661 63.100 0.083 0.000 0.791 329 P CB -0.513 31.232 31.700 0.075 0.000 0.978 330 P HA 0.066 nan 4.420 nan 0.000 0.262 330 P C 1.069 178.442 177.300 0.122 0.000 1.182 330 P CA 1.350 64.504 63.100 0.089 0.000 0.761 330 P CB -0.254 31.482 31.700 0.060 0.000 0.795 331 G N 2.725 111.589 108.800 0.108 0.000 2.212 331 G HA2 -0.397 3.571 3.960 0.013 0.000 0.266 331 G HA3 -0.397 3.571 3.960 0.013 0.000 0.266 331 G C 0.829 175.802 174.900 0.123 0.000 0.978 331 G CA 0.373 45.529 45.100 0.093 0.000 0.632 331 G HN 0.526 nan 8.290 nan 0.000 0.537 332 F N 1.132 121.119 119.950 0.063 0.000 2.095 332 F HA 0.073 4.606 4.527 0.010 0.000 0.298 332 F C 2.470 178.333 175.800 0.104 0.000 1.104 332 F CA 2.343 60.402 58.000 0.098 0.000 1.232 332 F CB -0.341 38.730 39.000 0.118 0.000 0.987 332 F HN 0.203 nan 8.300 nan 0.000 0.475 333 L N -0.011 121.206 121.223 -0.011 0.000 2.131 333 L HA -0.190 4.157 4.340 0.013 0.000 0.210 333 L C 2.391 179.169 176.870 -0.153 0.000 1.092 333 L CA 1.585 56.348 54.840 -0.130 0.000 0.759 333 L CB -0.731 41.336 42.059 0.013 0.000 0.903 333 L HN 0.227 nan 8.230 nan 0.000 0.435 334 E N -0.110 120.043 120.200 -0.078 0.000 2.031 334 E HA -0.194 4.163 4.350 0.013 0.000 0.193 334 E C 2.355 178.909 176.600 -0.078 0.000 0.994 334 E CA 1.020 57.384 56.400 -0.060 0.000 0.800 334 E CB 0.007 29.696 29.700 -0.018 0.000 0.752 334 E HN 0.358 nan 8.360 nan 0.000 0.447 335 R N -0.013 120.435 120.500 -0.086 0.000 2.115 335 R HA -0.073 4.275 4.340 0.013 0.000 0.230 335 R C 2.107 178.353 176.300 -0.090 0.000 1.111 335 R CA 1.653 57.717 56.100 -0.059 0.000 0.976 335 R CB -0.218 30.071 30.300 -0.018 0.000 0.870 335 R HN 0.255 nan 8.270 nan 0.000 0.445 336 T N -2.102 112.327 114.554 -0.209 0.000 3.145 336 T HA 0.144 4.501 4.350 0.013 0.000 0.255 336 T C 1.318 175.892 174.700 -0.209 0.000 1.039 336 T CA -0.199 61.779 62.100 -0.204 0.000 0.928 336 T CB 0.437 69.130 68.868 -0.292 0.000 1.029 336 T HN -0.071 nan 8.240 nan 0.000 0.554 337 K N 2.266 122.574 120.400 -0.153 0.000 2.113 337 K HA -0.109 4.218 4.320 0.013 0.000 0.208 337 K C 2.430 178.999 176.600 -0.051 0.000 1.047 337 K CA 1.636 57.848 56.287 -0.124 0.000 0.928 337 K CB -0.381 32.074 32.500 -0.074 0.000 0.716 337 K HN 0.274 nan 8.250 nan 0.000 0.446 338 K N 0.380 120.784 120.400 0.008 0.000 2.128 338 K HA 0.047 4.375 4.320 0.013 0.000 0.202 338 K C 2.085 178.812 176.600 0.211 0.000 1.050 338 K CA 1.151 57.505 56.287 0.112 0.000 0.966 338 K CB -0.253 32.293 32.500 0.075 0.000 0.759 338 K HN 0.619 nan 8.250 nan 0.000 0.454 339 R N -0.914 119.642 120.500 0.094 0.000 2.280 339 R HA 0.246 4.593 4.340 0.013 0.000 0.195 339 R C 0.928 177.210 176.300 -0.030 0.000 0.935 339 R CA 0.600 56.782 56.100 0.137 0.000 1.033 339 R CB 0.236 30.595 30.300 0.098 0.000 0.964 339 R HN 0.241 nan 8.270 nan 0.000 0.489 340 G N 0.885 109.413 108.800 -0.454 0.000 2.495 340 G HA2 0.511 4.479 3.960 0.013 0.000 0.318 340 G HA3 0.511 4.479 3.960 0.013 0.000 0.318 340 G C -1.965 172.318 174.900 -1.029 0.000 1.257 340 G CA -0.662 43.635 45.100 -1.338 0.000 0.962 340 G HN 0.157 nan 8.290 nan 0.000 0.483 341 F N 3.009 122.174 119.950 -1.309 0.000 2.445 341 F HA 0.537 5.070 4.527 0.011 0.000 0.348 341 F C -0.483 175.075 175.800 -0.403 0.000 1.125 341 F CA -0.721 56.642 58.000 -1.062 0.000 0.983 341 F CB 1.936 39.957 39.000 -1.632 0.000 1.198 341 F HN 0.294 nan 8.300 nan 0.000 0.436 342 V N 8.048 127.702 119.914 -0.433 0.000 2.347 342 V HA 0.382 4.510 4.120 0.013 0.000 0.280 342 V C -0.209 175.757 176.094 -0.213 0.000 1.021 342 V CA -0.704 61.515 62.300 -0.135 0.000 0.847 342 V CB 1.439 33.223 31.823 -0.065 0.000 0.990 342 V HN 0.687 nan 8.190 nan 0.000 0.444 343 I N 7.877 128.452 120.570 0.009 0.000 2.389 343 I HA 0.565 4.742 4.170 0.013 0.000 0.288 343 I C -2.392 173.752 176.117 0.046 0.000 0.999 343 I CA -2.559 58.799 61.300 0.096 0.000 1.129 343 I CB 2.889 41.069 38.000 0.300 0.000 1.288 343 I HN 0.434 nan 8.210 nan 0.000 0.444 344 P HA 0.137 nan 4.420 nan 0.000 0.276 344 P C 0.049 177.518 177.300 0.282 0.000 1.230 344 P CA 0.374 63.537 63.100 0.105 0.000 0.776 344 P CB 0.884 32.639 31.700 0.091 0.000 0.888 345 F N 0.608 120.602 119.950 0.073 0.000 2.544 345 F HA -0.217 4.317 4.527 0.012 0.000 0.702 345 F C -0.773 175.204 175.800 0.294 0.000 0.487 345 F CA 1.802 59.898 58.000 0.159 0.000 0.774 345 F CB -1.141 37.956 39.000 0.162 0.000 1.639 345 F HN 0.460 nan 8.300 nan 0.000 0.268 346 W N 1.777 123.124 121.300 0.079 0.000 3.259 346 W HA 0.640 5.308 4.660 0.014 0.000 0.331 346 W C -1.074 175.489 176.519 0.074 0.000 1.144 346 W CA -0.237 57.105 57.345 -0.005 0.000 1.227 346 W CB 1.609 31.070 29.460 0.003 0.000 1.371 346 W HN 0.395 nan 8.180 nan 0.000 0.491 347 A N 6.237 128.866 122.820 -0.319 0.000 2.384 347 A HA 0.777 5.104 4.320 0.013 0.000 0.312 347 A C -2.509 174.900 177.584 -0.292 0.000 1.113 347 A CA -1.335 50.613 52.037 -0.149 0.000 0.779 347 A CB 1.799 20.782 19.000 -0.029 0.000 1.307 347 A HN 0.262 nan 8.150 nan 0.000 0.436 348 P HA 0.073 nan 4.420 nan 0.000 0.237 348 P C 0.096 177.277 177.300 -0.198 0.000 1.788 348 P CA 0.172 63.223 63.100 -0.081 0.000 1.061 348 P CB 0.568 32.256 31.700 -0.020 0.000 1.967 349 Q N 2.861 122.492 119.800 -0.281 0.000 2.084 349 Q HA -0.181 4.166 4.340 0.013 0.000 0.202 349 Q C 1.971 177.770 176.000 -0.335 0.000 0.978 349 Q CA 1.939 57.514 55.803 -0.380 0.000 0.844 349 Q CB -0.416 28.151 28.738 -0.285 0.000 0.898 349 Q HN 0.347 nan 8.270 nan 0.000 0.426 350 A N 0.351 123.063 122.820 -0.181 0.000 1.908 350 A HA -0.284 4.043 4.320 0.013 0.000 0.218 350 A C 1.970 179.473 177.584 -0.136 0.000 1.181 350 A CA 1.818 53.780 52.037 -0.124 0.000 0.627 350 A CB -0.644 18.328 19.000 -0.046 0.000 0.818 350 A HN 0.501 nan 8.150 nan 0.000 0.445 351 Q N -0.451 119.275 119.800 -0.123 0.000 2.084 351 Q HA -0.092 4.255 4.340 0.013 0.000 0.202 351 Q C 2.110 178.032 176.000 -0.129 0.000 0.978 351 Q CA 1.717 57.462 55.803 -0.097 0.000 0.844 351 Q CB -0.674 28.028 28.738 -0.059 0.000 0.898 351 Q HN 0.447 nan 8.270 nan 0.000 0.426 352 V N 0.369 120.124 119.914 -0.265 0.000 2.295 352 V HA -0.240 3.887 4.120 0.013 0.000 0.246 352 V C 2.055 177.942 176.094 -0.346 0.000 1.049 352 V CA 1.614 63.689 62.300 -0.376 0.000 1.024 352 V CB -0.523 30.858 31.823 -0.737 0.000 0.648 352 V HN 0.348 nan 8.190 nan 0.000 0.447 353 L N 0.012 120.989 121.223 -0.411 0.000 2.201 353 L HA -0.067 4.280 4.340 0.013 0.000 0.212 353 L C 2.360 179.150 176.870 -0.133 0.000 1.105 353 L CA 1.242 55.905 54.840 -0.295 0.000 0.775 353 L CB -0.537 41.346 42.059 -0.293 0.000 0.913 353 L HN 0.362 nan 8.230 nan 0.000 0.440 354 A N -2.267 120.490 122.820 -0.105 0.000 2.251 354 A HA -0.052 4.276 4.320 0.013 0.000 0.209 354 A C 0.837 178.397 177.584 -0.039 0.000 1.187 354 A CA -0.024 51.976 52.037 -0.062 0.000 0.823 354 A CB -0.526 18.436 19.000 -0.064 0.000 0.846 354 A HN 0.281 nan 8.150 nan 0.000 0.486 355 H N 0.473 119.471 119.070 -0.120 0.000 2.646 355 H HA 0.230 4.794 4.556 0.012 0.000 0.325 355 H C -1.992 173.284 175.328 -0.086 0.000 1.075 355 H CA -1.767 54.218 56.048 -0.105 0.000 1.421 355 H CB 1.489 31.177 29.762 -0.124 0.000 1.461 355 H HN -0.005 nan 8.280 nan 0.000 0.525 356 P HA -0.087 nan 4.420 nan 0.000 0.221 356 P C 1.055 178.426 177.300 0.119 0.000 1.145 356 P CA 1.079 64.187 63.100 0.014 0.000 0.795 356 P CB 0.406 32.054 31.700 -0.087 0.000 0.775 357 S N -2.118 113.778 115.700 0.327 0.000 2.562 357 S HA 0.027 4.505 4.470 0.013 0.000 0.221 357 S C 0.859 175.468 174.600 0.014 0.000 0.975 357 S CA 0.608 58.862 58.200 0.090 0.000 0.918 357 S CB -0.656 62.512 63.200 -0.053 0.000 0.772 357 S HN 0.197 nan 8.310 nan 0.000 0.531 358 T N 1.133 115.712 114.554 0.043 0.000 2.817 358 T HA 0.459 4.817 4.350 0.013 0.000 0.293 358 T C 1.154 175.880 174.700 0.042 0.000 0.964 358 T CA -0.160 61.949 62.100 0.017 0.000 1.085 358 T CB 1.495 70.344 68.868 -0.032 0.000 0.921 358 T HN 0.300 nan 8.240 nan 0.000 0.502 359 G N 1.368 110.208 108.800 0.067 0.000 3.146 359 G HA2 0.562 4.529 3.960 0.013 0.000 0.238 359 G HA3 0.562 4.529 3.960 0.013 0.000 0.238 359 G C 0.385 175.346 174.900 0.101 0.000 1.022 359 G CA -0.002 45.142 45.100 0.074 0.000 0.880 359 G HN 1.015 nan 8.290 nan 0.000 0.533 360 G N -0.574 108.309 108.800 0.139 0.000 2.673 360 G HA2 0.462 4.429 3.960 0.013 0.000 0.292 360 G HA3 0.462 4.429 3.960 0.013 0.000 0.292 360 G C -2.277 172.796 174.900 0.288 0.000 1.450 360 G CA -0.671 44.538 45.100 0.181 0.000 0.837 360 G HN 0.243 nan 8.290 nan 0.000 0.505 361 F N 1.757 121.751 119.950 0.074 0.000 2.671 361 F HA 0.543 5.077 4.527 0.011 0.000 0.332 361 F C -1.053 174.741 175.800 -0.010 0.000 1.189 361 F CA -1.874 56.166 58.000 0.068 0.000 0.988 361 F CB 1.609 40.673 39.000 0.107 0.000 1.258 361 F HN 0.431 nan 8.300 nan 0.000 0.471 362 L N 6.606 127.930 121.223 0.168 0.000 2.295 362 L HA 0.432 4.779 4.340 0.013 0.000 0.288 362 L C -0.256 176.365 176.870 -0.414 0.000 1.079 362 L CA 0.273 55.038 54.840 -0.125 0.000 0.830 362 L CB 0.516 42.472 42.059 -0.171 0.000 1.200 362 L HN 0.751 nan 8.230 nan 0.000 0.438 363 T N 2.146 116.355 114.554 -0.574 0.000 2.887 363 T HA 0.255 4.612 4.350 0.013 0.000 0.288 363 T C 0.910 175.509 174.700 -0.168 0.000 1.021 363 T CA -0.580 61.078 62.100 -0.736 0.000 1.000 363 T CB 0.843 68.894 68.868 -1.362 0.000 1.034 363 T HN 0.740 nan 8.240 nan 0.000 0.467 364 H N 1.524 120.493 119.070 -0.169 0.000 2.559 364 H HA 0.098 4.661 4.556 0.012 0.000 0.273 364 H C 1.165 176.503 175.328 0.017 0.000 1.000 364 H CA 0.508 56.619 56.048 0.106 0.000 1.195 364 H CB -1.318 28.576 29.762 0.220 0.000 1.368 364 H HN 0.715 nan 8.280 nan 0.000 0.592 365 C N 0.029 119.173 119.300 -0.260 0.000 4.475 365 C HA -0.089 4.379 4.460 0.013 0.000 0.280 365 C C 1.573 176.366 174.990 -0.328 0.000 1.338 365 C CA 0.102 58.980 59.018 -0.234 0.000 1.893 365 C CB -2.420 25.264 27.740 -0.094 0.000 1.299 365 C HN 1.002 nan 8.230 nan 0.000 0.767 366 G N -0.965 107.336 108.800 -0.831 0.000 2.484 366 G HA2 0.185 4.153 3.960 0.013 0.000 0.235 366 G HA3 0.185 4.153 3.960 0.013 0.000 0.235 366 G C 0.753 175.680 174.900 0.046 0.000 1.282 366 G CA 0.448 45.303 45.100 -0.409 0.000 0.857 366 G HN 0.711 nan 8.290 nan 0.000 0.571 367 W N 2.011 123.275 121.300 -0.060 0.000 2.476 367 W HA -0.125 4.542 4.660 0.012 0.000 0.281 367 W C 1.928 178.489 176.519 0.070 0.000 1.230 367 W CA 0.695 58.036 57.345 -0.007 0.000 1.287 367 W CB 0.226 29.680 29.460 -0.010 0.000 1.108 367 W HN 0.792 nan 8.180 nan 0.000 0.567 368 N N 0.079 118.875 118.700 0.160 0.000 2.084 368 N HA -0.194 4.553 4.740 0.013 0.000 0.190 368 N C 1.839 177.383 175.510 0.057 0.000 1.030 368 N CA 2.451 55.556 53.050 0.092 0.000 0.849 368 N CB -0.761 37.829 38.487 0.172 0.000 1.012 368 N HN -0.162 nan 8.380 nan 0.000 0.423 369 S N -0.223 115.564 115.700 0.144 0.000 2.370 369 S HA -0.134 4.344 4.470 0.013 0.000 0.226 369 S C 1.958 176.665 174.600 0.178 0.000 1.033 369 S CA 1.397 59.759 58.200 0.270 0.000 1.011 369 S CB -0.519 62.932 63.200 0.420 0.000 0.852 369 S HN 0.414 nan 8.310 nan 0.000 0.457 370 T N 2.921 117.434 114.554 -0.069 0.000 2.674 370 T HA 0.014 4.372 4.350 0.013 0.000 0.265 370 T C 1.782 176.298 174.700 -0.307 0.000 1.039 370 T CA 1.048 62.999 62.100 -0.248 0.000 1.150 370 T CB -0.475 68.118 68.868 -0.457 0.000 0.864 370 T HN 0.249 nan 8.240 nan 0.000 0.427 371 L N 0.599 121.544 121.223 -0.463 0.000 2.046 371 L HA -0.131 4.216 4.340 0.013 0.000 0.208 371 L C 2.734 179.558 176.870 -0.077 0.000 1.077 371 L CA 1.518 56.179 54.840 -0.299 0.000 0.747 371 L CB -0.616 41.275 42.059 -0.281 0.000 0.896 371 L HN 0.340 nan 8.230 nan 0.000 0.432 372 E N -0.593 119.592 120.200 -0.025 0.000 2.085 372 E HA -0.232 4.126 4.350 0.013 0.000 0.194 372 E C 2.368 178.988 176.600 0.034 0.000 0.994 372 E CA 1.541 57.951 56.400 0.016 0.000 0.801 372 E CB -0.107 29.609 29.700 0.027 0.000 0.743 372 E HN 0.249 nan 8.360 nan 0.000 0.453 373 S N -0.139 115.621 115.700 0.100 0.000 2.368 373 S HA -0.132 4.346 4.470 0.013 0.000 0.225 373 S C 2.088 176.733 174.600 0.076 0.000 1.030 373 S CA 0.829 59.118 58.200 0.149 0.000 0.999 373 S CB -0.119 63.282 63.200 0.334 0.000 0.844 373 S HN 0.070 nan 8.310 nan 0.000 0.459 374 V N 1.380 121.317 119.914 0.038 0.000 2.287 374 V HA -0.156 3.972 4.120 0.013 0.000 0.248 374 V C 2.373 178.504 176.094 0.061 0.000 1.053 374 V CA 1.881 64.216 62.300 0.059 0.000 1.027 374 V CB -0.721 31.153 31.823 0.085 0.000 0.646 374 V HN 0.403 nan 8.190 nan 0.000 0.447 375 V N -0.519 119.416 119.914 0.035 0.000 2.594 375 V HA -0.169 3.959 4.120 0.013 0.000 0.253 375 V C 2.105 178.200 176.094 0.002 0.000 1.069 375 V CA 2.143 64.446 62.300 0.005 0.000 1.082 375 V CB -0.252 31.566 31.823 -0.008 0.000 0.680 375 V HN 0.543 nan 8.190 nan 0.000 0.469 376 S N -0.581 115.125 115.700 0.009 0.000 2.557 376 S HA 0.337 4.815 4.470 0.013 0.000 0.223 376 S C 1.446 176.058 174.600 0.020 0.000 0.969 376 S CA 0.549 58.751 58.200 0.003 0.000 0.927 376 S CB 0.503 63.694 63.200 -0.014 0.000 0.806 376 S HN 0.830 nan 8.310 nan 0.000 0.489 377 G N 2.234 111.056 108.800 0.036 0.000 2.249 377 G HA2 -0.222 3.745 3.960 0.013 0.000 0.273 377 G HA3 -0.222 3.745 3.960 0.013 0.000 0.273 377 G C -0.072 174.861 174.900 0.055 0.000 1.036 377 G CA -0.187 44.940 45.100 0.045 0.000 0.824 377 G HN 0.447 nan 8.290 nan 0.000 0.504 378 I N 1.940 122.554 120.570 0.072 0.000 2.312 378 I HA 0.279 4.457 4.170 0.013 0.000 0.291 378 I C -1.467 174.724 176.117 0.122 0.000 1.031 378 I CA -2.873 58.488 61.300 0.102 0.000 1.293 378 I CB 0.705 38.776 38.000 0.120 0.000 1.403 378 I HN -0.015 nan 8.210 nan 0.000 0.484 379 P HA 0.326 nan 4.420 nan 0.000 0.274 379 P C -0.851 176.509 177.300 0.099 0.000 1.237 379 P CA -0.371 62.780 63.100 0.084 0.000 0.793 379 P CB 1.296 33.036 31.700 0.066 0.000 0.977 380 L N 1.472 122.726 121.223 0.052 0.000 2.334 380 L HA 0.542 4.889 4.340 0.013 0.000 0.273 380 L C 0.429 177.304 176.870 0.009 0.000 1.013 380 L CA -1.080 53.764 54.840 0.007 0.000 0.816 380 L CB 1.469 43.488 42.059 -0.067 0.000 1.278 380 L HN 0.221 nan 8.230 nan 0.000 0.431 381 I N 1.893 122.463 120.570 0.000 0.000 2.321 381 I HA 0.379 4.556 4.170 0.013 0.000 0.291 381 I C 0.271 176.398 176.117 0.017 0.000 0.998 381 I CA -0.325 60.994 61.300 0.032 0.000 1.227 381 I CB 1.766 39.819 38.000 0.088 0.000 1.368 381 I HN 0.638 nan 8.210 nan 0.000 0.466 382 A N 7.730 130.566 122.820 0.027 0.000 2.310 382 A HA 0.226 4.554 4.320 0.013 0.000 0.300 382 A C -0.625 177.031 177.584 0.119 0.000 1.269 382 A CA -0.267 51.786 52.037 0.027 0.000 0.909 382 A CB 0.059 19.056 19.000 -0.004 0.000 1.144 382 A HN 0.847 nan 8.150 nan 0.000 0.540 383 W N 7.109 128.399 121.300 -0.016 0.000 2.148 383 W HA 0.304 4.970 4.660 0.010 0.000 0.288 383 W C -2.937 173.652 176.519 0.118 0.000 0.920 383 W CA -2.745 54.645 57.345 0.075 0.000 1.904 383 W CB 1.288 30.854 29.460 0.177 0.000 2.083 383 W HN 0.500 nan 8.180 nan 0.000 0.398 384 P HA 0.062 nan 4.420 nan 0.000 0.271 384 P C 0.456 177.897 177.300 0.235 0.000 1.218 384 P CA 0.287 63.487 63.100 0.167 0.000 0.780 384 P CB 2.015 33.743 31.700 0.046 0.000 0.901 385 L N 1.746 123.107 121.223 0.231 0.000 2.600 385 L HA 0.206 4.554 4.340 0.013 0.000 0.213 385 L C 0.597 177.664 176.870 0.329 0.000 1.045 385 L CA 0.383 55.405 54.840 0.304 0.000 0.863 385 L CB 0.030 42.354 42.059 0.442 0.000 1.189 385 L HN 0.502 nan 8.230 nan 0.000 0.484 386 Y N -3.725 116.679 120.300 0.173 0.000 2.953 386 Y HA 0.708 5.266 4.550 0.012 0.000 0.321 386 Y C 0.394 176.380 175.900 0.144 0.000 1.514 386 Y CA -1.075 57.110 58.100 0.142 0.000 1.091 386 Y CB 0.121 38.664 38.460 0.139 0.000 1.700 386 Y HN -0.051 nan 8.280 nan 0.000 0.436 387 A N 0.941 123.969 122.820 0.347 0.000 5.578 387 A HA -0.309 4.019 4.320 0.013 0.000 0.312 387 A C 1.296 178.955 177.584 0.126 0.000 1.861 387 A CA 1.738 53.917 52.037 0.237 0.000 0.719 387 A CB -2.065 17.058 19.000 0.204 0.000 1.323 387 A HN 1.494 nan 8.150 nan 0.000 0.387 388 E N 1.009 121.256 120.200 0.078 0.000 2.403 388 E HA 0.070 4.427 4.350 0.013 0.000 0.188 388 E C 1.346 177.921 176.600 -0.041 0.000 1.056 388 E CA 1.000 57.410 56.400 0.017 0.000 0.892 388 E CB -0.372 29.334 29.700 0.010 0.000 1.049 388 E HN 0.743 nan 8.360 nan 0.000 0.465 389 Q N 0.992 120.753 119.800 -0.064 0.000 2.124 389 Q HA -0.084 4.264 4.340 0.013 0.000 0.202 389 Q C 1.846 177.822 176.000 -0.040 0.000 0.977 389 Q CA 1.765 57.513 55.803 -0.092 0.000 0.850 389 Q CB -0.020 28.622 28.738 -0.160 0.000 0.901 389 Q HN 0.274 nan 8.270 nan 0.000 0.429 390 K N 0.146 120.537 120.400 -0.014 0.000 2.097 390 K HA -0.092 4.236 4.320 0.013 0.000 0.206 390 K C 2.053 178.643 176.600 -0.018 0.000 1.049 390 K CA 1.249 57.531 56.287 -0.008 0.000 0.933 390 K CB -0.106 32.398 32.500 0.006 0.000 0.717 390 K HN 0.251 nan 8.250 nan 0.000 0.442 391 M N 1.077 120.658 119.600 -0.031 0.000 2.108 391 M HA -0.183 4.305 4.480 0.013 0.000 0.261 391 M C 1.572 177.836 176.300 -0.060 0.000 1.066 391 M CA 1.427 56.696 55.300 -0.052 0.000 1.107 391 M CB -0.415 32.122 32.600 -0.105 0.000 1.356 391 M HN 0.109 nan 8.290 nan 0.000 0.406 392 N N 0.781 119.445 118.700 -0.061 0.000 2.188 392 N HA -0.072 4.676 4.740 0.013 0.000 0.184 392 N C 1.708 177.228 175.510 0.017 0.000 1.018 392 N CA 1.677 54.711 53.050 -0.026 0.000 0.858 392 N CB -0.514 37.988 38.487 0.025 0.000 0.989 392 N HN 0.349 nan 8.380 nan 0.000 0.426 393 A N 0.559 123.377 122.820 -0.002 0.000 1.930 393 A HA -0.043 4.285 4.320 0.013 0.000 0.217 393 A C 2.441 180.021 177.584 -0.007 0.000 1.175 393 A CA 1.100 53.136 52.037 -0.002 0.000 0.627 393 A CB -0.672 18.320 19.000 -0.013 0.000 0.815 393 A HN 0.099 nan 8.150 nan 0.000 0.443 394 V N -0.141 119.766 119.914 -0.013 0.000 2.307 394 V HA -0.227 3.901 4.120 0.013 0.000 0.245 394 V C 2.504 178.591 176.094 -0.012 0.000 1.045 394 V CA 1.917 64.209 62.300 -0.013 0.000 1.024 394 V CB -0.815 31.003 31.823 -0.009 0.000 0.651 394 V HN 0.630 nan 8.190 nan 0.000 0.449 395 L N -0.257 120.957 121.223 -0.016 0.000 2.012 395 L HA -0.159 4.188 4.340 0.013 0.000 0.210 395 L C 2.176 179.052 176.870 0.010 0.000 1.073 395 L CA 1.988 56.818 54.840 -0.016 0.000 0.748 395 L CB -0.479 41.555 42.059 -0.041 0.000 0.891 395 L HN 0.201 nan 8.230 nan 0.000 0.431 396 L N -0.777 120.466 121.223 0.034 0.000 2.156 396 L HA -0.113 4.234 4.340 0.013 0.000 0.208 396 L C 2.534 179.412 176.870 0.013 0.000 1.095 396 L CA 1.305 56.169 54.840 0.041 0.000 0.770 396 L CB -0.527 41.564 42.059 0.053 0.000 0.914 396 L HN 0.546 nan 8.230 nan 0.000 0.439 397 S N -1.736 113.965 115.700 0.003 0.000 2.470 397 S HA 0.016 4.493 4.470 0.013 0.000 0.222 397 S C 1.557 176.153 174.600 -0.007 0.000 1.024 397 S CA 0.029 58.226 58.200 -0.004 0.000 0.931 397 S CB 0.064 63.257 63.200 -0.012 0.000 0.791 397 S HN 0.426 nan 8.310 nan 0.000 0.513 398 E N 0.224 120.418 120.200 -0.009 0.000 2.447 398 E HA 0.119 4.476 4.350 0.013 0.000 0.204 398 E C 1.009 177.600 176.600 -0.015 0.000 0.977 398 E CA 0.454 56.846 56.400 -0.012 0.000 0.950 398 E CB 0.277 29.969 29.700 -0.013 0.000 0.975 398 E HN 0.487 nan 8.360 nan 0.000 0.496 399 D N 0.482 120.872 120.400 -0.016 0.000 3.208 399 D HA 0.086 4.733 4.640 0.013 0.000 0.281 399 D C 1.864 178.148 176.300 -0.026 0.000 1.328 399 D CA 0.118 54.103 54.000 -0.025 0.000 1.102 399 D CB -0.030 40.750 40.800 -0.034 0.000 1.267 399 D HN -0.015 nan 8.370 nan 0.000 0.405 400 I N 0.719 121.277 120.570 -0.020 0.000 2.226 400 I HA -0.075 4.102 4.170 0.013 0.000 0.245 400 I C 0.509 176.621 176.117 -0.008 0.000 1.100 400 I CA 0.765 62.054 61.300 -0.018 0.000 1.374 400 I CB -0.111 37.888 38.000 -0.002 0.000 1.057 400 I HN 0.106 nan 8.210 nan 0.000 0.413 401 R N -0.159 120.339 120.500 -0.002 0.000 3.322 401 R HA -0.174 4.174 4.340 0.013 0.000 0.266 401 R C 0.368 176.673 176.300 0.008 0.000 1.072 401 R CA 0.367 56.468 56.100 0.001 0.000 0.715 401 R CB -2.129 28.171 30.300 -0.001 0.000 1.199 401 R HN 0.500 nan 8.270 nan 0.000 0.421 402 A N -0.515 122.311 122.820 0.010 0.000 2.538 402 A HA 0.648 4.975 4.320 0.013 0.000 0.269 402 A C 0.398 177.990 177.584 0.013 0.000 1.231 402 A CA 0.612 52.658 52.037 0.016 0.000 0.948 402 A CB 0.736 19.746 19.000 0.017 0.000 1.110 402 A HN 0.472 nan 8.150 nan 0.000 0.529 403 A N -0.022 122.803 122.820 0.008 0.000 2.449 403 A HA 0.718 5.046 4.320 0.013 0.000 0.302 403 A C -0.745 176.842 177.584 0.005 0.000 1.048 403 A CA -0.442 51.597 52.037 0.004 0.000 0.708 403 A CB 0.886 19.882 19.000 -0.007 0.000 1.274 403 A HN 0.244 nan 8.150 nan 0.000 0.410 404 L N 1.368 122.597 121.223 0.010 0.000 2.379 404 L HA 0.601 4.949 4.340 0.013 0.000 0.269 404 L C 0.428 177.297 176.870 -0.001 0.000 1.084 404 L CA -0.545 54.299 54.840 0.007 0.000 0.802 404 L CB 1.143 43.213 42.059 0.017 0.000 1.175 404 L HN 0.734 nan 8.230 nan 0.000 0.448 405 R N 1.864 122.353 120.500 -0.019 0.000 2.599 405 R HA 0.455 4.802 4.340 0.013 0.000 0.295 405 R C -2.459 173.798 176.300 -0.071 0.000 0.963 405 R CA -1.734 54.337 56.100 -0.048 0.000 0.883 405 R CB 1.827 32.090 30.300 -0.062 0.000 1.171 405 R HN 0.384 nan 8.270 nan 0.000 0.450 406 P HA 0.116 nan 4.420 nan 0.000 0.278 406 P C -0.947 176.241 177.300 -0.187 0.000 1.238 406 P CA -0.497 62.508 63.100 -0.158 0.000 0.794 406 P CB 0.896 32.431 31.700 -0.276 0.000 0.955 407 R N 1.836 122.255 120.500 -0.135 0.000 2.267 407 R HA 0.491 4.838 4.340 0.013 0.000 0.319 407 R C -0.397 175.812 176.300 -0.152 0.000 1.067 407 R CA -0.383 55.642 56.100 -0.125 0.000 0.936 407 R CB 0.127 30.381 30.300 -0.078 0.000 1.006 407 R HN 0.580 nan 8.270 nan 0.000 0.452 408 A N 3.548 126.266 122.820 -0.170 0.000 2.310 408 A HA 0.498 4.826 4.320 0.013 0.000 0.299 408 A C 0.431 177.957 177.584 -0.096 0.000 1.147 408 A CA -0.234 51.709 52.037 -0.157 0.000 0.818 408 A CB 1.139 20.031 19.000 -0.181 0.000 1.096 408 A HN 0.914 nan 8.150 nan 0.000 0.495 409 G N 0.192 108.949 108.800 -0.072 0.000 2.683 409 G HA2 0.254 4.222 3.960 0.013 0.000 0.260 409 G HA3 0.254 4.222 3.960 0.013 0.000 0.260 409 G C 0.252 175.125 174.900 -0.046 0.000 1.238 409 G CA -0.028 45.042 45.100 -0.049 0.000 0.934 409 G HN 0.695 nan 8.290 nan 0.000 0.534 410 D N -0.074 120.305 120.400 -0.034 0.000 2.218 410 D HA -0.118 4.529 4.640 0.013 0.000 0.204 410 D C 1.873 178.156 176.300 -0.027 0.000 0.976 410 D CA 1.401 55.383 54.000 -0.031 0.000 0.853 410 D CB -0.016 40.769 40.800 -0.025 0.000 0.939 410 D HN 0.556 nan 8.370 nan 0.000 0.481 411 D N -0.711 119.675 120.400 -0.024 0.000 2.352 411 D HA 0.049 4.697 4.640 0.013 0.000 0.232 411 D C 1.539 177.826 176.300 -0.022 0.000 1.055 411 D CA 0.807 54.795 54.000 -0.019 0.000 0.891 411 D CB -0.290 40.503 40.800 -0.012 0.000 0.897 411 D HN 0.220 nan 8.370 nan 0.000 0.529 412 G N -0.293 108.485 108.800 -0.036 0.000 2.205 412 G HA2 -0.290 3.678 3.960 0.013 0.000 0.261 412 G HA3 -0.290 3.678 3.960 0.013 0.000 0.261 412 G C -0.056 174.812 174.900 -0.054 0.000 0.980 412 G CA 0.254 45.326 45.100 -0.047 0.000 0.632 412 G HN 0.478 nan 8.290 nan 0.000 0.533 413 L N 1.895 123.096 121.223 -0.037 0.000 2.331 413 L HA 0.629 4.977 4.340 0.013 0.000 0.278 413 L C 0.529 177.367 176.870 -0.053 0.000 1.106 413 L CA -0.547 54.279 54.840 -0.022 0.000 0.824 413 L CB 1.592 43.651 42.059 -0.001 0.000 1.142 413 L HN 0.076 nan 8.230 nan 0.000 0.443 414 V N 6.774 126.651 119.914 -0.061 0.000 2.368 414 V HA 0.389 4.516 4.120 0.013 0.000 0.266 414 V C 0.723 176.833 176.094 0.026 0.000 1.045 414 V CA -0.546 61.699 62.300 -0.092 0.000 0.899 414 V CB 0.457 32.101 31.823 -0.298 0.000 1.006 414 V HN 0.719 nan 8.190 nan 0.000 0.470 415 R N 3.293 123.797 120.500 0.007 0.000 2.577 415 R HA 0.304 4.651 4.340 0.013 0.000 0.269 415 R C 1.736 178.060 176.300 0.039 0.000 1.084 415 R CA -0.596 55.520 56.100 0.026 0.000 1.163 415 R CB 0.818 31.125 30.300 0.011 0.000 1.100 415 R HN 0.760 nan 8.270 nan 0.000 0.547 416 R N 0.787 121.309 120.500 0.036 0.000 2.105 416 R HA -0.196 4.152 4.340 0.013 0.000 0.239 416 R C 0.917 177.237 176.300 0.034 0.000 1.135 416 R CA 1.764 57.885 56.100 0.036 0.000 0.967 416 R CB -0.289 30.030 30.300 0.031 0.000 0.861 416 R HN 0.551 nan 8.270 nan 0.000 0.442 417 E N 0.998 121.214 120.200 0.028 0.000 2.077 417 E HA -0.213 4.145 4.350 0.013 0.000 0.193 417 E C 1.890 178.503 176.600 0.023 0.000 0.989 417 E CA 1.655 58.069 56.400 0.024 0.000 0.800 417 E CB -0.114 29.597 29.700 0.018 0.000 0.746 417 E HN 0.435 nan 8.360 nan 0.000 0.452 418 E N 0.319 120.529 120.200 0.017 0.000 2.072 418 E HA -0.113 4.244 4.350 0.013 0.000 0.191 418 E C 1.918 178.539 176.600 0.035 0.000 0.985 418 E CA 0.822 57.227 56.400 0.009 0.000 0.801 418 E CB -0.185 29.503 29.700 -0.020 0.000 0.750 418 E HN 0.088 nan 8.360 nan 0.000 0.452 419 V N 1.127 121.081 119.914 0.066 0.000 2.252 419 V HA -0.338 3.789 4.120 0.013 0.000 0.249 419 V C 2.429 178.559 176.094 0.059 0.000 1.056 419 V CA 2.190 64.552 62.300 0.105 0.000 1.022 419 V CB -1.173 30.710 31.823 0.100 0.000 0.641 419 V HN 0.465 nan 8.190 nan 0.000 0.445 420 A N -0.359 122.486 122.820 0.041 0.000 1.902 420 A HA -0.245 4.082 4.320 0.013 0.000 0.217 420 A C 2.428 180.037 177.584 0.041 0.000 1.181 420 A CA 2.015 54.075 52.037 0.039 0.000 0.623 420 A CB -0.586 18.438 19.000 0.040 0.000 0.818 420 A HN 0.487 nan 8.150 nan 0.000 0.443 421 R N -0.589 119.933 120.500 0.036 0.000 2.070 421 R HA -0.108 4.240 4.340 0.013 0.000 0.233 421 R C 2.065 178.385 176.300 0.034 0.000 1.137 421 R CA 1.920 58.038 56.100 0.030 0.000 0.945 421 R CB -0.555 29.758 30.300 0.020 0.000 0.845 421 R HN 0.325 nan 8.270 nan 0.000 0.430 422 V N 0.405 120.342 119.914 0.038 0.000 2.548 422 V HA -0.137 3.991 4.120 0.013 0.000 0.249 422 V C 2.176 178.302 176.094 0.054 0.000 1.055 422 V CA 1.433 63.758 62.300 0.042 0.000 1.065 422 V CB 0.150 31.999 31.823 0.044 0.000 0.681 422 V HN 0.231 nan 8.190 nan 0.000 0.462 423 V N 0.127 120.076 119.914 0.059 0.000 2.295 423 V HA -0.269 3.858 4.120 0.013 0.000 0.246 423 V C 2.498 178.630 176.094 0.063 0.000 1.049 423 V CA 2.574 64.911 62.300 0.061 0.000 1.024 423 V CB -0.679 31.174 31.823 0.049 0.000 0.648 423 V HN 0.538 nan 8.190 nan 0.000 0.447 424 K N 0.075 120.510 120.400 0.057 0.000 2.057 424 K HA -0.096 4.232 4.320 0.013 0.000 0.207 424 K C 2.248 178.877 176.600 0.048 0.000 1.049 424 K CA 1.375 57.695 56.287 0.055 0.000 0.931 424 K CB -0.708 31.821 32.500 0.049 0.000 0.714 424 K HN 0.550 nan 8.250 nan 0.000 0.440 425 G N 1.589 110.415 108.800 0.042 0.000 2.440 425 G HA2 -0.272 3.696 3.960 0.013 0.000 0.218 425 G HA3 -0.272 3.696 3.960 0.013 0.000 0.218 425 G C 1.448 176.372 174.900 0.040 0.000 1.154 425 G CA 0.749 45.870 45.100 0.036 0.000 0.767 425 G HN 0.156 nan 8.290 nan 0.000 0.552 426 L N -0.027 121.225 121.223 0.049 0.000 2.005 426 L HA 0.075 4.422 4.340 0.013 0.000 0.207 426 L C 2.750 179.655 176.870 0.059 0.000 1.072 426 L CA 1.588 56.461 54.840 0.055 0.000 0.744 426 L CB -0.204 41.894 42.059 0.066 0.000 0.895 426 L HN 0.088 nan 8.230 nan 0.000 0.433 427 M N -0.742 118.897 119.600 0.065 0.000 2.288 427 M HA -0.057 4.430 4.480 0.013 0.000 0.266 427 M C 1.766 178.099 176.300 0.055 0.000 1.072 427 M CA 1.618 56.959 55.300 0.068 0.000 1.132 427 M CB -0.829 31.821 32.600 0.083 0.000 1.386 427 M HN 0.598 nan 8.290 nan 0.000 0.432 428 E N -1.369 118.860 120.200 0.049 0.000 2.653 428 E HA 0.271 4.628 4.350 0.013 0.000 0.218 428 E C 0.859 177.480 176.600 0.035 0.000 0.911 428 E CA 0.124 56.549 56.400 0.041 0.000 1.355 428 E CB 0.061 29.787 29.700 0.043 0.000 1.314 428 E HN 0.220 nan 8.360 nan 0.000 0.686 429 G N 0.811 109.632 108.800 0.035 0.000 2.522 429 G HA2 0.138 4.106 3.960 0.013 0.000 0.304 429 G HA3 0.138 4.106 3.960 0.013 0.000 0.304 429 G C 0.428 175.344 174.900 0.026 0.000 1.210 429 G CA -0.363 44.754 45.100 0.029 0.000 0.960 429 G HN -0.040 nan 8.290 nan 0.000 0.497 430 E N -0.070 120.143 120.200 0.022 0.000 2.150 430 E HA -0.141 4.216 4.350 0.013 0.000 0.193 430 E C 2.418 179.029 176.600 0.019 0.000 0.985 430 E CA 1.288 57.700 56.400 0.019 0.000 0.814 430 E CB 0.036 29.745 29.700 0.016 0.000 0.752 430 E HN 0.849 nan 8.360 nan 0.000 0.466 431 E N -0.196 120.015 120.200 0.019 0.000 2.204 431 E HA -0.100 4.257 4.350 0.013 0.000 0.194 431 E C 1.956 178.568 176.600 0.021 0.000 0.989 431 E CA 1.184 57.594 56.400 0.017 0.000 0.824 431 E CB -0.315 29.394 29.700 0.015 0.000 0.756 431 E HN 0.120 nan 8.360 nan 0.000 0.477 432 G N 1.117 109.932 108.800 0.026 0.000 2.712 432 G HA2 -0.111 3.857 3.960 0.013 0.000 0.212 432 G HA3 -0.111 3.857 3.960 0.013 0.000 0.212 432 G C 1.417 176.335 174.900 0.030 0.000 1.142 432 G CA 0.098 45.217 45.100 0.031 0.000 0.789 432 G HN 0.109 nan 8.290 nan 0.000 0.535 433 K N 0.324 120.739 120.400 0.025 0.000 2.097 433 K HA 0.020 4.347 4.320 0.013 0.000 0.205 433 K C 2.706 179.320 176.600 0.022 0.000 1.050 433 K CA 0.904 57.205 56.287 0.024 0.000 0.938 433 K CB -0.245 32.268 32.500 0.021 0.000 0.718 433 K HN 0.223 nan 8.250 nan 0.000 0.442 434 G N 1.144 109.956 108.800 0.020 0.000 2.459 434 G HA2 -0.264 3.704 3.960 0.013 0.000 0.217 434 G HA3 -0.264 3.704 3.960 0.013 0.000 0.217 434 G C 1.645 176.557 174.900 0.021 0.000 1.183 434 G CA 1.445 46.556 45.100 0.018 0.000 0.776 434 G HN 0.252 nan 8.290 nan 0.000 0.552 435 V N -0.905 119.023 119.914 0.023 0.000 2.427 435 V HA -0.002 4.125 4.120 0.013 0.000 0.248 435 V C 2.548 178.662 176.094 0.033 0.000 1.051 435 V CA 2.153 64.468 62.300 0.026 0.000 1.048 435 V CB -0.681 31.158 31.823 0.026 0.000 0.666 435 V HN 0.333 nan 8.190 nan 0.000 0.456 436 R N 0.559 121.079 120.500 0.034 0.000 2.081 436 R HA -0.149 4.198 4.340 0.013 0.000 0.235 436 R C 2.345 178.665 176.300 0.034 0.000 1.131 436 R CA 1.984 58.107 56.100 0.038 0.000 0.960 436 R CB -0.321 30.001 30.300 0.037 0.000 0.856 436 R HN 0.596 nan 8.270 nan 0.000 0.436 437 N N 0.793 119.510 118.700 0.029 0.000 2.120 437 N HA -0.183 4.565 4.740 0.013 0.000 0.188 437 N C 1.560 177.089 175.510 0.031 0.000 1.024 437 N CA 1.236 54.303 53.050 0.028 0.000 0.852 437 N CB -0.224 38.277 38.487 0.024 0.000 1.003 437 N HN 0.096 nan 8.380 nan 0.000 0.424 438 K N 0.694 121.112 120.400 0.030 0.000 2.057 438 K HA 0.055 4.383 4.320 0.013 0.000 0.207 438 K C 1.789 178.415 176.600 0.043 0.000 1.049 438 K CA 0.987 57.294 56.287 0.032 0.000 0.931 438 K CB -0.199 32.316 32.500 0.024 0.000 0.714 438 K HN -0.002 nan 8.250 nan 0.000 0.440 439 M N 0.669 120.296 119.600 0.044 0.000 2.229 439 M HA -0.135 4.352 4.480 0.013 0.000 0.264 439 M C 2.152 178.486 176.300 0.056 0.000 1.063 439 M CA 1.388 56.720 55.300 0.053 0.000 1.114 439 M CB -0.666 31.966 32.600 0.053 0.000 1.387 439 M HN 0.158 nan 8.290 nan 0.000 0.420 440 K N 0.567 120.994 120.400 0.046 0.000 2.026 440 K HA -0.162 4.166 4.320 0.013 0.000 0.208 440 K C 1.701 178.330 176.600 0.048 0.000 1.048 440 K CA 1.743 58.055 56.287 0.041 0.000 0.929 440 K CB -0.362 32.157 32.500 0.032 0.000 0.713 440 K HN 0.599 nan 8.250 nan 0.000 0.439 441 E N 0.049 120.281 120.200 0.053 0.000 2.072 441 E HA -0.065 4.293 4.350 0.013 0.000 0.191 441 E C 2.226 178.883 176.600 0.096 0.000 0.985 441 E CA 1.603 58.042 56.400 0.064 0.000 0.801 441 E CB -0.178 29.556 29.700 0.057 0.000 0.750 441 E HN 0.357 nan 8.360 nan 0.000 0.452 442 L N 1.014 122.305 121.223 0.113 0.000 2.141 442 L HA -0.144 4.203 4.340 0.013 0.000 0.209 442 L C 2.604 179.584 176.870 0.182 0.000 1.094 442 L CA 0.938 55.895 54.840 0.195 0.000 0.763 442 L CB -0.309 41.858 42.059 0.179 0.000 0.908 442 L HN 0.057 nan 8.230 nan 0.000 0.437 443 K N 0.453 120.913 120.400 0.100 0.000 2.057 443 K HA -0.190 4.138 4.320 0.013 0.000 0.207 443 K C 1.897 178.508 176.600 0.018 0.000 1.049 443 K CA 1.503 57.819 56.287 0.049 0.000 0.931 443 K CB 0.086 32.606 32.500 0.035 0.000 0.714 443 K HN 0.358 nan 8.250 nan 0.000 0.440 444 E N 0.247 120.468 120.200 0.034 0.000 2.152 444 E HA -0.142 4.215 4.350 0.013 0.000 0.192 444 E C 1.996 178.604 176.600 0.015 0.000 0.983 444 E CA 1.020 57.432 56.400 0.020 0.000 0.818 444 E CB -0.185 29.533 29.700 0.030 0.000 0.758 444 E HN 0.409 nan 8.360 nan 0.000 0.467 445 A N 2.050 124.906 122.820 0.060 0.000 1.930 445 A HA 0.066 4.393 4.320 0.013 0.000 0.217 445 A C 2.505 179.984 177.584 -0.174 0.000 1.175 445 A CA 1.608 53.694 52.037 0.083 0.000 0.627 445 A CB -0.538 18.651 19.000 0.315 0.000 0.815 445 A HN 0.286 nan 8.150 nan 0.000 0.443 446 A N -0.927 121.697 122.820 -0.326 0.000 1.933 446 A HA -0.217 4.110 4.320 0.013 0.000 0.218 446 A C 2.397 179.762 177.584 -0.364 0.000 1.175 446 A CA 1.753 53.380 52.037 -0.683 0.000 0.628 446 A CB -1.381 17.396 19.000 -0.372 0.000 0.814 446 A HN 0.852 nan 8.150 nan 0.000 0.444 447 C N -0.626 118.565 119.300 -0.182 0.000 2.462 447 C HA -0.044 4.423 4.460 0.013 0.000 0.278 447 C C 2.729 177.664 174.990 -0.092 0.000 1.253 447 C CA 1.416 60.368 59.018 -0.109 0.000 1.713 447 C CB -1.211 26.493 27.740 -0.061 0.000 2.049 447 C HN 0.678 nan 8.230 nan 0.000 0.477 448 R N 0.459 120.916 120.500 -0.071 0.000 2.113 448 R HA -0.166 4.182 4.340 0.013 0.000 0.244 448 R C 2.111 178.390 176.300 -0.034 0.000 1.142 448 R CA 2.850 58.932 56.100 -0.031 0.000 0.953 448 R CB -0.443 29.862 30.300 0.009 0.000 0.860 448 R HN 0.668 nan 8.270 nan 0.000 0.438 449 V N -1.589 118.279 119.914 -0.077 0.000 2.970 449 V HA -0.045 4.083 4.120 0.013 0.000 0.260 449 V C 1.750 177.832 176.094 -0.020 0.000 1.100 449 V CA 1.356 63.639 62.300 -0.029 0.000 1.122 449 V CB -0.298 31.514 31.823 -0.019 0.000 0.721 449 V HN 0.236 nan 8.190 nan 0.000 0.483 450 L N -0.526 120.664 121.223 -0.054 0.000 2.640 450 L HA 0.294 4.642 4.340 0.013 0.000 0.230 450 L C 1.188 178.054 176.870 -0.007 0.000 1.123 450 L CA -0.068 54.762 54.840 -0.017 0.000 0.900 450 L CB -0.103 41.939 42.059 -0.029 0.000 1.146 450 L HN 0.237 nan 8.230 nan 0.000 0.484 451 K N 0.326 120.719 120.400 -0.013 0.000 2.187 451 K HA -0.024 4.304 4.320 0.013 0.000 0.247 451 K C 0.507 177.107 176.600 0.000 0.000 1.019 451 K CA -0.450 55.831 56.287 -0.009 0.000 0.893 451 K CB 0.659 33.153 32.500 -0.010 0.000 1.025 451 K HN -0.111 nan 8.250 nan 0.000 0.500 452 D N 0.970 121.367 120.400 -0.005 0.000 2.182 452 D HA -0.159 4.488 4.640 0.013 0.000 0.201 452 D C 0.684 176.987 176.300 0.006 0.000 0.986 452 D CA 1.633 55.632 54.000 -0.003 0.000 0.847 452 D CB 0.006 40.798 40.800 -0.012 0.000 0.942 452 D HN 0.471 nan 8.370 nan 0.000 0.467 453 D N -0.598 119.804 120.400 0.004 0.000 2.538 453 D HA 0.204 4.851 4.640 0.013 0.000 0.231 453 D C 0.299 176.603 176.300 0.008 0.000 1.229 453 D CA -0.190 53.813 54.000 0.006 0.000 0.828 453 D CB 0.189 40.989 40.800 0.001 0.000 1.035 453 D HN -0.017 nan 8.370 nan 0.000 0.495 454 G N -0.541 108.267 108.800 0.013 0.000 2.503 454 G HA2 0.222 4.190 3.960 0.013 0.000 0.257 454 G HA3 0.222 4.190 3.960 0.013 0.000 0.257 454 G C 1.412 176.333 174.900 0.034 0.000 1.214 454 G CA 0.131 45.242 45.100 0.019 0.000 0.839 454 G HN 0.193 nan 8.290 nan 0.000 0.559 455 T N -0.601 113.978 114.554 0.043 0.000 2.759 455 T HA -0.183 4.175 4.350 0.013 0.000 0.269 455 T C 2.354 177.111 174.700 0.094 0.000 1.042 455 T CA 1.925 64.055 62.100 0.051 0.000 1.140 455 T CB -0.262 68.629 68.868 0.038 0.000 0.864 455 T HN 0.286 nan 8.240 nan 0.000 0.455 456 S N 1.022 116.793 115.700 0.119 0.000 2.371 456 S HA -0.045 4.433 4.470 0.013 0.000 0.224 456 S C 2.371 177.042 174.600 0.120 0.000 1.029 456 S CA 1.354 59.640 58.200 0.144 0.000 0.978 456 S CB -0.775 62.520 63.200 0.159 0.000 0.833 456 S HN 0.660 nan 8.310 nan 0.000 0.466 457 T N 2.485 117.095 114.554 0.093 0.000 2.708 457 T HA -0.089 4.269 4.350 0.013 0.000 0.266 457 T C 1.771 176.520 174.700 0.083 0.000 1.037 457 T CA 1.225 63.382 62.100 0.095 0.000 1.146 457 T CB -0.222 68.687 68.868 0.067 0.000 0.865 457 T HN 0.389 nan 8.240 nan 0.000 0.435 458 K N 1.090 121.527 120.400 0.061 0.000 2.063 458 K HA -0.060 4.267 4.320 0.013 0.000 0.208 458 K C 2.650 179.272 176.600 0.036 0.000 1.048 458 K CA 1.335 57.648 56.287 0.044 0.000 0.928 458 K CB -0.323 32.197 32.500 0.033 0.000 0.713 458 K HN 0.292 nan 8.250 nan 0.000 0.442 459 A N 1.327 124.189 122.820 0.069 0.000 1.877 459 A HA -0.159 4.168 4.320 0.013 0.000 0.216 459 A C 2.110 179.660 177.584 -0.057 0.000 1.186 459 A CA 1.252 53.348 52.037 0.098 0.000 0.620 459 A CB -0.541 18.578 19.000 0.199 0.000 0.822 459 A HN 0.245 nan 8.150 nan 0.000 0.443 460 L N -0.168 121.039 121.223 -0.027 0.000 2.093 460 L HA -0.053 4.295 4.340 0.013 0.000 0.208 460 L C 2.456 179.125 176.870 -0.335 0.000 1.085 460 L CA 2.396 57.156 54.840 -0.135 0.000 0.755 460 L CB -0.678 41.402 42.059 0.035 0.000 0.904 460 L HN 0.277 nan 8.230 nan 0.000 0.435 461 S N -0.480 115.128 115.700 -0.154 0.000 2.368 461 S HA -0.132 4.346 4.470 0.013 0.000 0.225 461 S C 1.934 176.399 174.600 -0.225 0.000 1.030 461 S CA 1.500 59.630 58.200 -0.118 0.000 0.999 461 S CB -0.389 62.865 63.200 0.089 0.000 0.844 461 S HN 0.450 nan 8.310 nan 0.000 0.459 462 L N 0.920 122.016 121.223 -0.212 0.000 2.046 462 L HA -0.110 4.237 4.340 0.013 0.000 0.208 462 L C 2.323 178.932 176.870 -0.434 0.000 1.077 462 L CA 1.013 55.715 54.840 -0.230 0.000 0.747 462 L CB -0.685 41.295 42.059 -0.132 0.000 0.896 462 L HN 0.228 nan 8.230 nan 0.000 0.432 463 V N 0.016 119.508 119.914 -0.704 0.000 2.295 463 V HA -0.286 3.842 4.120 0.013 0.000 0.246 463 V C 2.749 178.138 176.094 -1.175 0.000 1.049 463 V CA 1.839 63.498 62.300 -1.068 0.000 1.024 463 V CB -0.884 30.193 31.823 -1.243 0.000 0.648 463 V HN 0.486 nan 8.190 nan 0.000 0.447 464 A N -0.355 121.929 122.820 -0.893 0.000 1.940 464 A HA -0.212 4.116 4.320 0.013 0.000 0.219 464 A C 2.170 179.597 177.584 -0.261 0.000 1.176 464 A CA 2.112 53.810 52.037 -0.564 0.000 0.631 464 A CB -0.596 18.018 19.000 -0.643 0.000 0.814 464 A HN 0.444 nan 8.150 nan 0.000 0.446 465 L N -0.184 120.894 121.223 -0.243 0.000 2.046 465 L HA -0.138 4.209 4.340 0.013 0.000 0.208 465 L C 2.275 179.105 176.870 -0.065 0.000 1.077 465 L CA 2.137 56.917 54.840 -0.100 0.000 0.747 465 L CB -0.448 41.561 42.059 -0.083 0.000 0.896 465 L HN 0.327 nan 8.230 nan 0.000 0.432 466 K N -1.502 118.808 120.400 -0.149 0.000 2.063 466 K HA -0.223 4.104 4.320 0.013 0.000 0.208 466 K C 1.962 178.635 176.600 0.122 0.000 1.048 466 K CA 1.793 58.049 56.287 -0.050 0.000 0.928 466 K CB -0.359 32.058 32.500 -0.139 0.000 0.713 466 K HN 0.367 nan 8.250 nan 0.000 0.442 467 W N 1.528 122.783 121.300 -0.076 0.000 2.381 467 W HA -0.044 4.623 4.660 0.012 0.000 0.301 467 W C 1.856 178.372 176.519 -0.006 0.000 1.205 467 W CA 0.581 57.878 57.345 -0.080 0.000 1.285 467 W CB -0.615 28.734 29.460 -0.185 0.000 1.133 467 W HN 0.064 nan 8.180 nan 0.000 0.521 468 K N 0.083 120.605 120.400 0.203 0.000 2.057 468 K HA -0.101 4.227 4.320 0.013 0.000 0.207 468 K C 2.269 178.940 176.600 0.118 0.000 1.049 468 K CA 1.699 58.063 56.287 0.128 0.000 0.931 468 K CB -0.522 32.026 32.500 0.080 0.000 0.714 468 K HN -0.008 nan 8.250 nan 0.000 0.440 469 A N 1.363 124.253 122.820 0.117 0.000 1.877 469 A HA -0.231 4.096 4.320 0.013 0.000 0.216 469 A C 2.107 179.766 177.584 0.126 0.000 1.186 469 A CA 1.563 53.659 52.037 0.098 0.000 0.620 469 A CB -0.839 18.210 19.000 0.082 0.000 0.822 469 A HN 0.378 nan 8.150 nan 0.000 0.443 470 H N 0.142 119.268 119.070 0.093 0.000 2.319 470 H HA -0.172 4.392 4.556 0.013 0.000 0.299 470 H C 2.110 177.476 175.328 0.064 0.000 1.092 470 H CA 2.317 58.421 56.048 0.094 0.000 1.302 470 H CB -0.077 29.772 29.762 0.144 0.000 1.373 470 H HN 0.409 nan 8.280 nan 0.000 0.497 471 K N 1.335 121.877 120.400 0.238 0.000 2.057 471 K HA -0.132 4.196 4.320 0.013 0.000 0.207 471 K C 2.447 179.077 176.600 0.049 0.000 1.049 471 K CA 1.697 58.066 56.287 0.136 0.000 0.931 471 K CB -0.293 32.271 32.500 0.107 0.000 0.714 471 K HN 0.230 nan 8.250 nan 0.000 0.440 472 K N 0.234 120.663 120.400 0.047 0.000 2.032 472 K HA -0.206 4.122 4.320 0.013 0.000 0.209 472 K C 1.599 178.195 176.600 -0.006 0.000 1.048 472 K CA 1.783 58.083 56.287 0.021 0.000 0.927 472 K CB -0.100 32.416 32.500 0.027 0.000 0.712 472 K HN 0.114 nan 8.250 nan 0.000 0.441 473 E N 0.966 121.149 120.200 -0.028 0.000 2.072 473 E HA -0.174 4.184 4.350 0.013 0.000 0.191 473 E C 2.028 178.582 176.600 -0.077 0.000 0.985 473 E CA 0.684 57.050 56.400 -0.057 0.000 0.801 473 E CB -0.391 29.260 29.700 -0.082 0.000 0.750 473 E HN 0.273 nan 8.360 nan 0.000 0.452 474 L N 1.745 122.903 121.223 -0.109 0.000 2.017 474 L HA -0.144 4.203 4.340 0.013 0.000 0.208 474 L C 1.847 178.698 176.870 -0.031 0.000 1.073 474 L CA 1.825 56.615 54.840 -0.085 0.000 0.745 474 L CB -0.286 41.728 42.059 -0.075 0.000 0.894 474 L HN -0.049 nan 8.230 nan 0.000 0.432 475 E N 0.132 120.323 120.200 -0.014 0.000 2.427 475 E HA -0.105 4.253 4.350 0.013 0.000 0.196 475 E C 0.794 177.391 176.600 -0.006 0.000 1.028 475 E CA 0.265 56.664 56.400 -0.002 0.000 0.864 475 E CB -0.104 29.599 29.700 0.005 0.000 0.813 475 E HN 0.768 nan 8.360 nan 0.000 0.514 476 Q N 0.000 119.793 119.800 -0.012 0.000 2.315 476 Q HA 0.000 4.348 4.340 0.013 0.000 0.214 476 Q CA 0.000 55.797 55.803 -0.010 0.000 1.022 476 Q CB 0.000 28.733 28.738 -0.009 0.000 1.108 476 Q HN 0.000 nan 8.270 nan 0.000 0.481