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 2ay2_1_A DATA FIRST_RESID 5 DATA SEQUENCE MLGNLKPQAP DKILALMGEF RADPRQGKID LGVGVYKDAT GHTPIMRAVH DATA SEQUENCE AAEQRMLETE XTTKTYAGLS GEPEFQKAMG ELILGDGXXX LKSETTATLA DATA SEQUENCE TVGGTGALRQ ALELARMANP DLXXRXXXVF VSDPTWPNHV SIMNFMGLXP DATA SEQUENCE VQTYRYFDAE TRGVDFEGMK ADLAAAKKGD MVLLHGCCHN PTGANLTLDQ DATA SEQUENCE WAEIASILEK TGALPLIDLA YQGFGDGXLE EDAAGTRLIA SRIPEVLIAA DATA SEQUENCE SCSKNFGIYR ERTGCLLALC ADAATRELAQ GAMAFLNRQT YSFPPFHGAK DATA SEQUENCE IVSTVLTTPE LRADWMAELE AVRSGMLRLR EQLAGELRDL SGSDRFGFVA DATA SEQUENCE EHRGMFSRLG ATPEQVKRIK EEFGIYMVGD SRINIAGLND NTIPILARAI DATA SEQUENCE IEVGV 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 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 176.304 176.300 0.007 0.000 1.140 5 M CA 0.000 55.304 55.300 0.006 0.000 0.988 5 M CB 0.000 32.604 32.600 0.006 0.000 1.302 6 L N 0.976 122.204 121.223 0.008 0.000 2.353 6 L HA -0.010 4.330 4.340 -0.000 0.000 0.220 6 L C 2.077 178.952 176.870 0.008 0.000 1.133 6 L CA 1.376 56.221 54.840 0.009 0.000 0.798 6 L CB -0.841 41.222 42.059 0.008 0.000 0.922 6 L HN 0.619 nan 8.230 nan 0.000 0.445 7 G N -0.086 108.718 108.800 0.006 0.000 2.534 7 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.217 7 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.217 7 G C 1.012 175.915 174.900 0.006 0.000 1.128 7 G CA 0.203 45.306 45.100 0.006 0.000 0.784 7 G HN 0.392 nan 8.290 nan 0.000 0.542 8 N N -0.233 118.471 118.700 0.007 0.000 2.370 8 N HA 0.179 4.919 4.740 -0.000 0.000 0.198 8 N C -0.158 175.358 175.510 0.010 0.000 1.156 8 N CA -0.230 52.825 53.050 0.008 0.000 0.839 8 N CB 0.348 38.840 38.487 0.007 0.000 0.989 8 N HN 0.135 nan 8.380 nan 0.000 0.468 9 L N 1.435 122.664 121.223 0.011 0.000 2.380 9 L HA 0.161 4.501 4.340 -0.000 0.000 0.273 9 L C 0.610 177.488 176.870 0.013 0.000 1.138 9 L CA -0.398 54.450 54.840 0.014 0.000 0.832 9 L CB 0.572 42.639 42.059 0.013 0.000 1.124 9 L HN 0.198 nan 8.230 nan 0.000 0.454 10 K N 4.197 124.607 120.400 0.016 0.000 2.174 10 K HA 0.505 4.825 4.320 -0.000 0.000 0.275 10 K C -2.472 174.135 176.600 0.012 0.000 1.015 10 K CA -1.622 54.673 56.287 0.014 0.000 0.933 10 K CB 0.382 32.893 32.500 0.018 0.000 1.025 10 K HN 0.296 nan 8.250 nan 0.000 0.463 11 P HA 0.005 nan 4.420 nan 0.000 0.267 11 P C -1.064 176.238 177.300 0.003 0.000 1.209 11 P CA -0.016 63.087 63.100 0.004 0.000 0.763 11 P CB 0.563 32.265 31.700 0.003 0.000 0.816 12 Q N 1.873 121.673 119.800 -0.001 0.000 2.271 12 Q HA 0.528 4.867 4.340 -0.000 0.000 0.258 12 Q C -0.046 175.945 176.000 -0.015 0.000 0.936 12 Q CA -0.581 55.217 55.803 -0.007 0.000 0.909 12 Q CB 1.943 30.673 28.738 -0.013 0.000 1.253 12 Q HN 0.486 nan 8.270 nan 0.000 0.440 13 A N 4.430 127.239 122.820 -0.018 0.000 2.462 13 A HA 0.471 4.791 4.320 -0.000 0.000 0.243 13 A C -1.722 175.844 177.584 -0.031 0.000 1.076 13 A CA -0.748 51.276 52.037 -0.022 0.000 0.773 13 A CB -0.551 18.435 19.000 -0.023 0.000 1.010 13 A HN 0.481 nan 8.150 nan 0.000 0.493 14 P HA 0.109 nan 4.420 nan 0.000 0.271 14 P C 0.388 177.665 177.300 -0.039 0.000 1.244 14 P CA -0.249 62.834 63.100 -0.028 0.000 0.793 14 P CB 0.460 32.149 31.700 -0.018 0.000 0.984 15 D N 0.586 120.960 120.400 -0.042 0.000 2.378 15 D HA -0.149 4.491 4.640 -0.000 0.000 0.227 15 D C 0.946 177.217 176.300 -0.048 0.000 1.012 15 D CA 0.414 54.381 54.000 -0.054 0.000 0.905 15 D CB 0.068 40.838 40.800 -0.050 0.000 0.895 15 D HN 0.283 nan 8.370 nan 0.000 0.532 16 K N -0.059 120.322 120.400 -0.032 0.000 4.378 16 K HA -0.302 4.018 4.320 -0.000 0.000 0.416 16 K C 1.410 178.002 176.600 -0.013 0.000 0.469 16 K CA 1.762 58.035 56.287 -0.022 0.000 1.807 16 K CB -1.910 30.571 32.500 -0.031 0.000 0.965 16 K HN 0.322 nan 8.250 nan 0.000 0.530 17 I N 1.068 121.626 120.570 -0.021 0.000 2.145 17 I HA -0.355 3.815 4.170 -0.000 0.000 0.244 17 I C 2.298 178.412 176.117 -0.005 0.000 1.075 17 I CA 2.165 63.456 61.300 -0.014 0.000 1.332 17 I CB -0.402 37.589 38.000 -0.015 0.000 1.033 17 I HN 0.226 nan 8.210 nan 0.000 0.410 18 L N 0.595 121.815 121.223 -0.004 0.000 2.012 18 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 18 L C 2.881 179.759 176.870 0.014 0.000 1.073 18 L CA 1.531 56.373 54.840 0.003 0.000 0.748 18 L CB -0.781 41.278 42.059 0.001 0.000 0.891 18 L HN 0.284 nan 8.230 nan 0.000 0.431 19 A N -0.333 122.496 122.820 0.014 0.000 1.972 19 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 19 A C 2.300 179.912 177.584 0.047 0.000 1.169 19 A CA 1.402 53.455 52.037 0.027 0.000 0.635 19 A CB -0.611 18.402 19.000 0.021 0.000 0.810 19 A HN 0.418 nan 8.150 nan 0.000 0.446 20 L N -1.612 119.636 121.223 0.041 0.000 2.027 20 L HA -0.142 4.197 4.340 -0.000 0.000 0.206 20 L C 2.554 179.462 176.870 0.064 0.000 1.074 20 L CA 2.041 56.919 54.840 0.063 0.000 0.745 20 L CB -0.173 41.906 42.059 0.034 0.000 0.898 20 L HN 0.470 nan 8.230 nan 0.000 0.433 21 M N -0.165 119.454 119.600 0.032 0.000 2.319 21 M HA 0.013 4.493 4.480 -0.000 0.000 0.265 21 M C 1.875 178.227 176.300 0.087 0.000 1.068 21 M CA 1.661 56.990 55.300 0.048 0.000 1.118 21 M CB -0.967 31.646 32.600 0.021 0.000 1.395 21 M HN 0.161 nan 8.290 nan 0.000 0.435 22 G N -0.234 108.602 108.800 0.059 0.000 2.459 22 G HA2 -0.282 3.677 3.960 -0.000 0.000 0.217 22 G HA3 -0.282 3.677 3.960 -0.000 0.000 0.217 22 G C 1.478 176.408 174.900 0.051 0.000 1.183 22 G CA 1.042 46.170 45.100 0.047 0.000 0.776 22 G HN 0.626 nan 8.290 nan 0.000 0.552 23 E N -0.626 119.625 120.200 0.085 0.000 2.072 23 E HA -0.124 4.226 4.350 -0.000 0.000 0.191 23 E C 2.097 178.725 176.600 0.047 0.000 0.985 23 E CA 0.625 57.094 56.400 0.114 0.000 0.801 23 E CB -0.256 29.577 29.700 0.222 0.000 0.750 23 E HN 0.365 nan 8.360 nan 0.000 0.452 24 F N 1.786 121.589 119.950 -0.246 0.000 2.069 24 F HA -0.182 4.345 4.527 -0.000 0.000 0.298 24 F C 2.275 177.902 175.800 -0.288 0.000 1.113 24 F CA 1.853 59.502 58.000 -0.584 0.000 1.214 24 F CB -0.165 38.475 39.000 -0.601 0.000 0.978 24 F HN -0.109 nan 8.300 nan 0.000 0.474 25 R N 0.065 120.463 120.500 -0.169 0.000 2.105 25 R HA -0.108 4.232 4.340 -0.000 0.000 0.239 25 R C 2.301 178.483 176.300 -0.196 0.000 1.135 25 R CA 1.177 57.154 56.100 -0.205 0.000 0.967 25 R CB -0.813 29.464 30.300 -0.038 0.000 0.861 25 R HN 0.394 nan 8.270 nan 0.000 0.442 26 A N 0.968 123.716 122.820 -0.121 0.000 2.168 26 A HA -0.085 4.235 4.320 -0.000 0.000 0.215 26 A C 0.494 178.024 177.584 -0.091 0.000 1.152 26 A CA 0.280 52.271 52.037 -0.077 0.000 0.716 26 A CB -0.136 18.850 19.000 -0.023 0.000 0.794 26 A HN 0.101 nan 8.150 nan 0.000 0.465 27 D N 0.673 120.979 120.400 -0.156 0.000 2.358 27 D HA 0.129 4.769 4.640 -0.000 0.000 0.258 27 D C -1.602 174.615 176.300 -0.138 0.000 1.223 27 D CA -1.631 52.298 54.000 -0.117 0.000 0.886 27 D CB 1.148 41.867 40.800 -0.134 0.000 1.120 27 D HN 0.174 nan 8.370 nan 0.000 0.482 28 P HA 0.033 nan 4.420 nan 0.000 0.253 28 P C -0.053 177.212 177.300 -0.057 0.000 1.260 28 P CA 0.021 63.082 63.100 -0.066 0.000 0.800 28 P CB 0.339 32.015 31.700 -0.040 0.000 1.162 29 R N 0.649 121.116 120.500 -0.056 0.000 2.234 29 R HA 0.158 4.497 4.340 -0.000 0.000 0.324 29 R C 1.134 177.407 176.300 -0.046 0.000 1.054 29 R CA -0.250 55.832 56.100 -0.031 0.000 0.912 29 R CB 0.620 30.925 30.300 0.009 0.000 1.030 29 R HN -0.045 nan 8.270 nan 0.000 0.455 30 Q N 1.062 120.844 119.800 -0.030 0.000 2.226 30 Q HA -0.056 4.284 4.340 -0.000 0.000 0.204 30 Q C 1.562 177.560 176.000 -0.003 0.000 0.975 30 Q CA 1.494 57.281 55.803 -0.025 0.000 0.866 30 Q CB 0.237 28.966 28.738 -0.015 0.000 0.915 30 Q HN 0.847 nan 8.270 nan 0.000 0.440 31 G N 0.835 109.645 108.800 0.018 0.000 3.448 31 G HA2 0.066 4.026 3.960 -0.000 0.000 0.261 31 G HA3 0.066 4.026 3.960 -0.000 0.000 0.261 31 G C -0.438 174.517 174.900 0.092 0.000 1.173 31 G CA -0.554 44.576 45.100 0.050 0.000 0.835 31 G HN 0.271 nan 8.290 nan 0.000 0.534 32 K N 0.285 120.736 120.400 0.085 0.000 2.401 32 K HA 0.424 4.744 4.320 -0.000 0.000 0.278 32 K C -0.724 176.056 176.600 0.300 0.000 1.018 32 K CA -0.063 56.337 56.287 0.188 0.000 0.981 32 K CB 1.214 33.728 32.500 0.022 0.000 0.933 32 K HN 0.020 nan 8.250 nan 0.000 0.477 33 I N 1.669 122.471 120.570 0.387 0.000 2.509 33 I HA 0.134 4.304 4.170 -0.000 0.000 0.293 33 I C -1.019 175.252 176.117 0.257 0.000 1.020 33 I CA -0.942 60.529 61.300 0.284 0.000 1.088 33 I CB 2.050 40.156 38.000 0.175 0.000 1.267 33 I HN 0.715 nan 8.210 nan 0.000 0.430 34 D N 5.787 126.182 120.400 -0.007 0.000 2.441 34 D HA 0.370 5.010 4.640 -0.000 0.000 0.231 34 D C -0.223 176.002 176.300 -0.124 0.000 1.073 34 D CA -0.235 53.590 54.000 -0.292 0.000 0.850 34 D CB 1.416 41.676 40.800 -0.901 0.000 1.062 34 D HN 0.212 nan 8.370 nan 0.000 0.524 35 L N 3.123 124.331 121.223 -0.025 0.000 2.808 35 L HA 0.407 4.747 4.340 -0.000 0.000 0.246 35 L C 1.993 178.890 176.870 0.044 0.000 1.153 35 L CA 0.192 55.046 54.840 0.023 0.000 0.956 35 L CB 0.651 42.746 42.059 0.060 0.000 1.270 35 L HN 0.606 nan 8.230 nan 0.000 0.528 36 G N -0.723 108.074 108.800 -0.005 0.000 2.777 36 G HA2 0.102 4.061 3.960 -0.000 0.000 0.211 36 G HA3 0.102 4.061 3.960 -0.000 0.000 0.211 36 G C 0.631 175.540 174.900 0.015 0.000 1.149 36 G CA 0.446 45.551 45.100 0.008 0.000 0.785 36 G HN 0.164 nan 8.290 nan 0.000 0.536 37 V N -1.154 118.757 119.914 -0.004 0.000 2.928 37 V HA 0.486 4.606 4.120 -0.000 0.000 0.307 37 V C 1.295 177.497 176.094 0.181 0.000 1.105 37 V CA 0.349 62.664 62.300 0.026 0.000 1.223 37 V CB 1.027 32.835 31.823 -0.026 0.000 0.930 37 V HN 0.073 nan 8.190 nan 0.000 0.499 38 G N 2.359 111.269 108.800 0.184 0.000 3.575 38 G HA2 0.491 4.451 3.960 -0.000 0.000 0.273 38 G HA3 0.491 4.451 3.960 -0.000 0.000 0.273 38 G C 0.107 175.222 174.900 0.357 0.000 1.053 38 G CA 0.527 45.861 45.100 0.390 0.000 0.803 38 G HN 1.345 nan 8.290 nan 0.000 0.528 39 V N -3.497 116.510 119.914 0.155 0.000 3.126 39 V HA 0.719 4.839 4.120 -0.000 0.000 0.314 39 V C -0.728 175.439 176.094 0.122 0.000 1.138 39 V CA -2.092 60.248 62.300 0.067 0.000 1.034 39 V CB 1.571 33.215 31.823 -0.298 0.000 1.075 39 V HN 0.100 nan 8.190 nan 0.000 0.442 40 Y N 2.285 122.662 120.300 0.129 0.000 2.335 40 Y HA 0.623 5.173 4.550 -0.000 0.000 0.331 40 Y C -0.017 175.951 175.900 0.113 0.000 1.094 40 Y CA -0.098 58.097 58.100 0.157 0.000 1.253 40 Y CB 0.763 39.414 38.460 0.318 0.000 1.203 40 Y HN 0.672 nan 8.280 nan 0.000 0.508 41 K N 5.493 125.451 120.400 -0.736 0.000 2.316 41 K HA 0.247 4.567 4.320 -0.000 0.000 0.251 41 K C -0.833 175.220 176.600 -0.913 0.000 0.934 41 K CA -0.822 55.122 56.287 -0.571 0.000 0.802 41 K CB 1.683 34.009 32.500 -0.291 0.000 1.171 41 K HN 0.825 nan 8.250 nan 0.000 0.426 42 D N 0.297 120.407 120.400 -0.484 0.000 2.507 42 D HA 0.243 4.883 4.640 -0.000 0.000 0.280 42 D C 1.070 177.291 176.300 -0.132 0.000 1.219 42 D CA -0.464 53.386 54.000 -0.250 0.000 1.085 42 D CB 0.028 40.849 40.800 0.036 0.000 1.134 42 D HN 0.325 nan 8.370 nan 0.000 0.583 43 A N -0.720 122.082 122.820 -0.031 0.000 1.948 43 A HA -0.146 4.174 4.320 -0.000 0.000 0.220 43 A C 1.925 179.479 177.584 -0.050 0.000 1.177 43 A CA 2.804 54.827 52.037 -0.024 0.000 0.636 43 A CB -1.507 17.500 19.000 0.011 0.000 0.815 43 A HN 0.748 nan 8.150 nan 0.000 0.449 44 T N -3.898 110.627 114.554 -0.048 0.000 3.235 44 T HA 0.420 4.770 4.350 -0.000 0.000 0.251 44 T C 1.111 175.607 174.700 -0.340 0.000 1.060 44 T CA 0.884 62.917 62.100 -0.111 0.000 0.949 44 T CB -0.367 68.517 68.868 0.028 0.000 1.020 44 T HN 1.774 nan 8.240 nan 0.000 0.564 45 G N 1.127 109.771 108.800 -0.259 0.000 2.246 45 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.273 45 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.273 45 G C -0.275 174.417 174.900 -0.348 0.000 1.055 45 G CA 0.182 45.108 45.100 -0.290 0.000 0.851 45 G HN 0.812 nan 8.290 nan 0.000 0.500 46 H N -1.201 117.831 119.070 -0.064 0.000 2.679 46 H HA 0.643 5.199 4.556 -0.000 0.000 0.367 46 H C -0.252 175.059 175.328 -0.027 0.000 1.162 46 H CA -0.491 55.540 56.048 -0.028 0.000 1.181 46 H CB 1.801 31.569 29.762 0.009 0.000 1.693 46 H HN 0.089 nan 8.280 nan 0.000 0.538 47 T N 4.778 119.435 114.554 0.172 0.000 3.145 47 T HA 0.187 4.537 4.350 -0.000 0.000 0.362 47 T C -2.119 172.719 174.700 0.229 0.000 1.340 47 T CA -1.249 60.964 62.100 0.187 0.000 1.069 47 T CB 0.068 69.003 68.868 0.112 0.000 1.129 47 T HN 0.419 nan 8.240 nan 0.000 0.585 48 P HA 0.355 nan 4.420 nan 0.000 0.272 48 P C -0.394 177.043 177.300 0.227 0.000 1.240 48 P CA -0.570 62.650 63.100 0.200 0.000 0.791 48 P CB 1.164 32.977 31.700 0.187 0.000 0.978 49 I N 1.296 121.978 120.570 0.186 0.000 2.365 49 I HA 0.186 4.356 4.170 -0.000 0.000 0.291 49 I C 1.203 177.434 176.117 0.191 0.000 1.004 49 I CA -0.690 60.730 61.300 0.201 0.000 1.311 49 I CB 0.573 38.693 38.000 0.201 0.000 1.401 49 I HN 0.183 nan 8.210 nan 0.000 0.491 50 M N 5.516 125.237 119.600 0.203 0.000 2.249 50 M HA 0.123 4.603 4.480 -0.000 0.000 0.340 50 M C 1.393 177.802 176.300 0.182 0.000 1.166 50 M CA 0.260 55.674 55.300 0.189 0.000 1.115 50 M CB 0.423 33.165 32.600 0.238 0.000 1.606 50 M HN 0.558 nan 8.290 nan 0.000 0.448 51 R N 1.793 122.378 120.500 0.142 0.000 2.096 51 R HA -0.193 4.147 4.340 -0.000 0.000 0.240 51 R C 2.144 178.537 176.300 0.155 0.000 1.139 51 R CA 1.894 58.068 56.100 0.123 0.000 0.952 51 R CB -0.701 29.645 30.300 0.077 0.000 0.854 51 R HN 0.881 nan 8.270 nan 0.000 0.436 52 A N 0.771 123.692 122.820 0.168 0.000 1.933 52 A HA -0.097 4.222 4.320 -0.000 0.000 0.218 52 A C 2.408 180.073 177.584 0.135 0.000 1.175 52 A CA 1.337 53.471 52.037 0.160 0.000 0.628 52 A CB -0.426 18.704 19.000 0.216 0.000 0.814 52 A HN 0.127 nan 8.150 nan 0.000 0.444 53 V N -0.429 119.580 119.914 0.158 0.000 2.358 53 V HA -0.245 3.875 4.120 -0.000 0.000 0.246 53 V C 2.540 178.693 176.094 0.098 0.000 1.047 53 V CA 2.080 64.447 62.300 0.112 0.000 1.035 53 V CB -0.952 30.957 31.823 0.144 0.000 0.658 53 V HN 0.781 nan 8.190 nan 0.000 0.452 54 H N 0.487 119.598 119.070 0.069 0.000 2.423 54 H HA -0.075 4.481 4.556 -0.000 0.000 0.297 54 H C 2.193 177.548 175.328 0.044 0.000 1.075 54 H CA 1.712 57.795 56.048 0.059 0.000 1.342 54 H CB 0.142 29.940 29.762 0.060 0.000 1.395 54 H HN 0.400 nan 8.280 nan 0.000 0.530 55 A N 0.716 123.652 122.820 0.193 0.000 1.929 55 A HA 0.040 4.360 4.320 -0.000 0.000 0.216 55 A C 2.705 180.316 177.584 0.045 0.000 1.176 55 A CA 1.325 53.441 52.037 0.132 0.000 0.628 55 A CB -0.822 18.245 19.000 0.111 0.000 0.816 55 A HN 0.499 nan 8.150 nan 0.000 0.444 56 A N -0.041 122.787 122.820 0.013 0.000 1.898 56 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 56 A C 1.895 179.437 177.584 -0.069 0.000 1.181 56 A CA 1.568 53.582 52.037 -0.040 0.000 0.620 56 A CB -0.524 18.430 19.000 -0.077 0.000 0.819 56 A HN 0.606 nan 8.150 nan 0.000 0.442 57 E N -0.447 119.702 120.200 -0.086 0.000 2.153 57 E HA -0.223 4.127 4.350 -0.000 0.000 0.194 57 E C 2.242 178.806 176.600 -0.059 0.000 0.988 57 E CA 1.263 57.616 56.400 -0.079 0.000 0.811 57 E CB -0.147 29.503 29.700 -0.084 0.000 0.746 57 E HN 0.734 nan 8.360 nan 0.000 0.466 58 Q N 0.121 119.880 119.800 -0.067 0.000 2.083 58 Q HA -0.075 4.265 4.340 -0.000 0.000 0.198 58 Q C 2.176 178.176 176.000 0.000 0.000 0.969 58 Q CA 0.839 56.628 55.803 -0.023 0.000 0.838 58 Q CB 0.029 28.782 28.738 0.025 0.000 0.900 58 Q HN 0.169 nan 8.270 nan 0.000 0.436 59 R N 0.086 120.586 120.500 0.000 0.000 2.092 59 R HA -0.056 4.284 4.340 -0.000 0.000 0.231 59 R C 2.222 178.524 176.300 0.003 0.000 1.119 59 R CA 1.307 57.409 56.100 0.004 0.000 0.970 59 R CB -0.195 30.105 30.300 0.000 0.000 0.864 59 R HN 0.282 nan 8.270 nan 0.000 0.440 60 M N 0.197 119.793 119.600 -0.006 0.000 2.175 60 M HA -0.142 4.338 4.480 -0.000 0.000 0.264 60 M C 2.114 178.435 176.300 0.035 0.000 1.063 60 M CA 1.175 56.483 55.300 0.014 0.000 1.119 60 M CB -0.237 32.359 32.600 -0.007 0.000 1.377 60 M HN 0.092 nan 8.290 nan 0.000 0.415 61 L N 0.554 121.795 121.223 0.028 0.000 2.191 61 L HA -0.144 4.196 4.340 -0.000 0.000 0.212 61 L C 1.863 178.741 176.870 0.014 0.000 1.103 61 L CA 1.886 56.741 54.840 0.025 0.000 0.769 61 L CB -0.363 41.705 42.059 0.014 0.000 0.908 61 L HN 0.272 nan 8.230 nan 0.000 0.438 62 E N -1.899 118.309 120.200 0.013 0.000 2.276 62 E HA -0.041 4.309 4.350 -0.000 0.000 0.193 62 E C 1.636 178.240 176.600 0.008 0.000 0.983 62 E CA 1.059 57.465 56.400 0.009 0.000 0.861 62 E CB 0.158 29.865 29.700 0.011 0.000 0.817 62 E HN 0.635 nan 8.360 nan 0.000 0.485 63 T N -1.706 112.855 114.554 0.011 0.000 2.990 63 T HA 0.107 4.457 4.350 -0.000 0.000 0.250 63 T C 0.868 175.574 174.700 0.010 0.000 1.041 63 T CA -0.290 61.816 62.100 0.011 0.000 1.010 63 T CB 0.363 69.240 68.868 0.014 0.000 1.003 63 T HN -0.183 nan 8.240 nan 0.000 0.499 67 T N 0.376 114.869 114.554 -0.102 0.000 2.821 67 T HA 0.611 4.961 4.350 -0.000 0.000 0.306 67 T C -1.652 172.921 174.700 -0.212 0.000 1.313 67 T CA -0.611 61.405 62.100 -0.140 0.000 1.012 67 T CB 2.106 70.895 68.868 -0.133 0.000 1.298 67 T HN 0.128 nan 8.240 nan 0.000 0.502 68 K N 1.781 122.035 120.400 -0.245 0.000 2.676 68 K HA 0.258 4.578 4.320 -0.000 0.000 0.205 68 K C 0.076 176.448 176.600 -0.379 0.000 1.084 68 K CA -0.345 55.743 56.287 -0.332 0.000 1.057 68 K CB 0.719 33.061 32.500 -0.262 0.000 0.791 68 K HN 0.659 nan 8.250 nan 0.000 0.484 69 T N 0.609 114.961 114.554 -0.336 0.000 2.724 69 T HA -0.007 4.343 4.350 -0.000 0.000 0.324 69 T C 0.334 174.783 174.700 -0.419 0.000 1.071 69 T CA 0.112 61.993 62.100 -0.365 0.000 1.061 69 T CB 0.249 68.987 68.868 -0.217 0.000 0.990 69 T HN 0.009 nan 8.240 nan 0.000 0.543 70 Y N 0.620 120.698 120.300 -0.371 0.000 2.712 70 Y HA 0.354 4.904 4.550 -0.000 0.000 0.333 70 Y C 0.900 176.519 175.900 -0.468 0.000 1.225 70 Y CA 0.000 57.710 58.100 -0.650 0.000 1.499 70 Y CB -0.250 37.687 38.460 -0.872 0.000 1.288 70 Y HN 0.836 nan 8.280 nan 0.000 0.575 71 A N 2.485 125.148 122.820 -0.261 0.000 3.944 71 A HA 0.764 5.084 4.320 -0.000 0.000 0.151 71 A C 0.602 178.304 177.584 0.197 0.000 1.301 71 A CA -0.251 51.773 52.037 -0.022 0.000 1.020 71 A CB -0.570 18.440 19.000 0.016 0.000 1.627 71 A HN 0.824 nan 8.150 nan 0.000 0.661 72 G N -0.845 108.108 108.800 0.256 0.000 2.378 72 G HA2 0.397 4.357 3.960 -0.000 0.000 0.255 72 G HA3 0.397 4.357 3.960 -0.000 0.000 0.255 72 G C 0.483 175.623 174.900 0.400 0.000 1.270 72 G CA -0.056 45.223 45.100 0.297 0.000 0.876 72 G HN 0.716 nan 8.290 nan 0.000 0.521 73 L N 2.360 123.755 121.223 0.287 0.000 2.141 73 L HA 0.004 4.344 4.340 -0.000 0.000 0.209 73 L C 2.364 179.274 176.870 0.066 0.000 1.094 73 L CA 1.912 56.773 54.840 0.034 0.000 0.763 73 L CB 0.156 42.114 42.059 -0.168 0.000 0.908 73 L HN 0.437 nan 8.230 nan 0.000 0.437 74 S N -0.338 115.424 115.700 0.104 0.000 2.554 74 S HA 0.586 5.056 4.470 -0.000 0.000 0.226 74 S C 0.442 175.130 174.600 0.147 0.000 0.980 74 S CA 0.269 58.532 58.200 0.105 0.000 0.939 74 S CB 0.018 63.266 63.200 0.080 0.000 0.832 74 S HN 0.767 nan 8.310 nan 0.000 0.486 75 G N 1.547 110.452 108.800 0.175 0.000 2.541 75 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.686 75 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.686 75 G C -1.551 173.455 174.900 0.177 0.000 1.286 75 G CA -1.075 44.132 45.100 0.177 0.000 0.894 75 G HN 0.085 nan 8.290 nan 0.000 0.575 76 E N 0.669 120.970 120.200 0.168 0.000 2.301 76 E HA 0.383 4.732 4.350 -0.000 0.000 0.275 76 E C -1.474 175.214 176.600 0.147 0.000 1.030 76 E CA -1.874 54.619 56.400 0.155 0.000 0.852 76 E CB 1.195 30.977 29.700 0.137 0.000 1.060 76 E HN 0.149 nan 8.360 nan 0.000 0.401 77 P HA -0.212 nan 4.420 nan 0.000 0.216 77 P C 1.252 178.586 177.300 0.056 0.000 1.153 77 P CA 1.406 64.550 63.100 0.072 0.000 0.858 77 P CB 0.393 32.127 31.700 0.057 0.000 0.789 78 E N -1.641 118.596 120.200 0.062 0.000 2.085 78 E HA -0.228 4.122 4.350 -0.000 0.000 0.194 78 E C 1.810 178.435 176.600 0.041 0.000 0.994 78 E CA 0.971 57.394 56.400 0.038 0.000 0.801 78 E CB -0.510 29.209 29.700 0.032 0.000 0.743 78 E HN 0.119 nan 8.360 nan 0.000 0.453 79 F N 1.480 121.377 119.950 -0.088 0.000 2.084 79 F HA -0.125 4.402 4.527 -0.000 0.000 0.296 79 F C 2.284 178.033 175.800 -0.085 0.000 1.111 79 F CA 1.690 59.616 58.000 -0.123 0.000 1.224 79 F CB -0.309 38.599 39.000 -0.153 0.000 0.991 79 F HN 0.011 nan 8.300 nan 0.000 0.471 80 Q N 0.183 119.953 119.800 -0.050 0.000 2.096 80 Q HA -0.277 4.063 4.340 -0.000 0.000 0.204 80 Q C 2.282 178.182 176.000 -0.167 0.000 0.982 80 Q CA 2.203 57.928 55.803 -0.131 0.000 0.850 80 Q CB -0.317 28.426 28.738 0.009 0.000 0.901 80 Q HN 0.440 nan 8.270 nan 0.000 0.422 81 K N 0.265 120.602 120.400 -0.104 0.000 2.031 81 K HA -0.078 4.242 4.320 -0.000 0.000 0.205 81 K C 2.105 178.633 176.600 -0.120 0.000 1.049 81 K CA 0.984 57.219 56.287 -0.087 0.000 0.939 81 K CB -0.148 32.326 32.500 -0.043 0.000 0.717 81 K HN 0.153 nan 8.250 nan 0.000 0.438 82 A N 1.375 124.108 122.820 -0.145 0.000 1.908 82 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 82 A C 2.163 179.625 177.584 -0.204 0.000 1.181 82 A CA 1.580 53.528 52.037 -0.148 0.000 0.627 82 A CB -0.446 18.468 19.000 -0.142 0.000 0.818 82 A HN 0.317 nan 8.150 nan 0.000 0.445 83 M N -0.736 118.642 119.600 -0.371 0.000 2.099 83 M HA -0.089 4.391 4.480 -0.000 0.000 0.262 83 M C 2.381 178.558 176.300 -0.204 0.000 1.067 83 M CA 1.536 56.609 55.300 -0.378 0.000 1.124 83 M CB -1.812 30.380 32.600 -0.681 0.000 1.353 83 M HN 0.487 nan 8.290 nan 0.000 0.410 84 G N 0.074 108.766 108.800 -0.179 0.000 2.442 84 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.219 84 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.219 84 G C 1.470 176.328 174.900 -0.070 0.000 1.141 84 G CA 0.883 45.920 45.100 -0.104 0.000 0.763 84 G HN 0.547 nan 8.290 nan 0.000 0.554 85 E N -0.273 119.887 120.200 -0.067 0.000 2.107 85 E HA 0.062 4.412 4.350 -0.000 0.000 0.191 85 E C 2.374 178.964 176.600 -0.017 0.000 0.982 85 E CA 0.053 56.431 56.400 -0.036 0.000 0.809 85 E CB -0.158 29.524 29.700 -0.030 0.000 0.756 85 E HN 0.278 nan 8.360 nan 0.000 0.459 86 L N 1.128 122.341 121.223 -0.017 0.000 2.083 86 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 86 L C 2.028 178.913 176.870 0.025 0.000 1.083 86 L CA 1.562 56.422 54.840 0.032 0.000 0.752 86 L CB -0.208 41.886 42.059 0.058 0.000 0.899 86 L HN 0.189 nan 8.230 nan 0.000 0.433 87 I N -0.617 119.949 120.570 -0.007 0.000 2.296 87 I HA -0.249 3.921 4.170 -0.000 0.000 0.242 87 I C 2.029 178.131 176.117 -0.024 0.000 1.087 87 I CA 0.871 62.164 61.300 -0.012 0.000 1.393 87 I CB -0.026 37.959 38.000 -0.026 0.000 1.093 87 I HN 0.153 nan 8.210 nan 0.000 0.421 88 L N 0.172 121.377 121.223 -0.030 0.000 2.607 88 L HA 0.337 4.677 4.340 -0.000 0.000 0.228 88 L C 1.454 178.309 176.870 -0.026 0.000 1.123 88 L CA 0.089 54.910 54.840 -0.032 0.000 0.890 88 L CB -0.537 41.502 42.059 -0.033 0.000 1.103 88 L HN 0.424 nan 8.230 nan 0.000 0.468 89 G N 1.178 109.967 108.800 -0.019 0.000 2.614 89 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.303 89 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.303 89 G C 0.532 175.424 174.900 -0.014 0.000 1.270 89 G CA 0.535 45.627 45.100 -0.013 0.000 0.988 89 G HN 0.293 nan 8.290 nan 0.000 0.551 90 D N 1.797 122.190 120.400 -0.012 0.000 2.309 90 D HA 0.072 4.712 4.640 -0.000 0.000 0.212 90 D C 1.754 178.047 176.300 -0.013 0.000 0.968 90 D CA 1.385 55.379 54.000 -0.011 0.000 0.882 90 D CB -0.616 40.178 40.800 -0.009 0.000 0.918 90 D HN 0.667 nan 8.370 nan 0.000 0.503 96 K N 2.591 122.984 120.400 -0.012 0.000 2.184 96 K HA 0.492 4.812 4.320 -0.000 0.000 0.259 96 K C 1.212 177.807 176.600 -0.008 0.000 1.119 96 K CA 0.218 56.500 56.287 -0.008 0.000 0.991 96 K CB 0.761 33.257 32.500 -0.006 0.000 1.522 96 K HN 0.627 nan 8.250 nan 0.000 0.405 97 S N 1.158 116.853 115.700 -0.008 0.000 2.380 97 S HA -0.268 4.202 4.470 -0.000 0.000 0.229 97 S C 1.718 176.316 174.600 -0.003 0.000 1.043 97 S CA 1.491 59.687 58.200 -0.006 0.000 1.038 97 S CB -0.109 63.087 63.200 -0.005 0.000 0.872 97 S HN 0.752 nan 8.310 nan 0.000 0.456 98 E N 0.760 120.959 120.200 -0.002 0.000 2.209 98 E HA -0.161 4.189 4.350 -0.000 0.000 0.196 98 E C 1.061 177.662 176.600 0.001 0.000 0.993 98 E CA 1.509 57.909 56.400 0.000 0.000 0.819 98 E CB -0.007 29.693 29.700 0.000 0.000 0.745 98 E HN 0.706 nan 8.360 nan 0.000 0.477 99 T N -2.300 112.254 114.554 -0.000 0.000 3.200 99 T HA 0.204 4.554 4.350 -0.000 0.000 0.284 99 T C 0.029 174.729 174.700 0.001 0.000 1.009 99 T CA -0.502 61.598 62.100 0.001 0.000 0.907 99 T CB 0.796 69.665 68.868 0.001 0.000 1.120 99 T HN -0.176 nan 8.240 nan 0.000 0.534 100 T N 2.754 117.308 114.554 -0.001 0.000 2.772 100 T HA 0.731 5.081 4.350 -0.000 0.000 0.288 100 T C -0.109 174.592 174.700 0.002 0.000 0.994 100 T CA -0.524 61.575 62.100 -0.002 0.000 0.951 100 T CB 1.291 70.154 68.868 -0.009 0.000 0.933 100 T HN 0.492 nan 8.240 nan 0.000 0.447 101 A N 3.396 126.220 122.820 0.007 0.000 2.306 101 A HA 0.791 5.111 4.320 -0.000 0.000 0.314 101 A C 0.204 177.796 177.584 0.014 0.000 1.164 101 A CA -0.557 51.487 52.037 0.013 0.000 0.822 101 A CB 0.568 19.579 19.000 0.017 0.000 1.130 101 A HN 0.719 nan 8.150 nan 0.000 0.496 102 T N 1.536 116.103 114.554 0.021 0.000 2.893 102 T HA 0.596 4.945 4.350 -0.000 0.000 0.293 102 T C -1.255 173.477 174.700 0.053 0.000 1.027 102 T CA -0.292 61.822 62.100 0.024 0.000 0.988 102 T CB 1.362 70.232 68.868 0.002 0.000 1.043 102 T HN 0.684 nan 8.240 nan 0.000 0.461 103 L N 2.367 123.633 121.223 0.071 0.000 2.470 103 L HA 0.800 5.139 4.340 -0.000 0.000 0.268 103 L C -0.513 176.447 176.870 0.151 0.000 0.964 103 L CA -0.501 54.400 54.840 0.102 0.000 0.839 103 L CB 1.376 43.486 42.059 0.084 0.000 1.276 103 L HN 0.858 nan 8.230 nan 0.000 0.403 104 A N 2.907 125.843 122.820 0.192 0.000 2.409 104 A HA 0.663 4.983 4.320 -0.000 0.000 0.262 104 A C 0.196 177.884 177.584 0.174 0.000 1.113 104 A CA 0.452 52.629 52.037 0.233 0.000 0.790 104 A CB -0.049 19.051 19.000 0.167 0.000 1.046 104 A HN 0.812 nan 8.150 nan 0.000 0.496 105 T N -1.520 113.125 114.554 0.152 0.000 2.888 105 T HA 0.553 4.903 4.350 -0.000 0.000 0.288 105 T C -0.461 174.272 174.700 0.056 0.000 1.063 105 T CA -0.705 61.483 62.100 0.147 0.000 1.010 105 T CB 1.081 70.037 68.868 0.146 0.000 1.214 105 T HN 0.550 nan 8.240 nan 0.000 0.533 106 V N 2.215 122.147 119.914 0.031 0.000 2.276 106 V HA 0.562 4.682 4.120 -0.000 0.000 0.249 106 V C 1.384 177.481 176.094 0.005 0.000 1.160 106 V CA 0.578 62.841 62.300 -0.063 0.000 1.042 106 V CB -1.043 30.677 31.823 -0.171 0.000 1.224 106 V HN 1.491 nan 8.190 nan 0.000 0.496 107 G N 4.235 113.036 108.800 0.003 0.000 2.877 107 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.279 107 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.279 107 G C 0.859 175.785 174.900 0.043 0.000 1.431 107 G CA -0.178 44.934 45.100 0.020 0.000 0.883 107 G HN 1.016 nan 8.290 nan 0.000 0.547 108 G N -1.359 107.454 108.800 0.021 0.000 2.422 108 G HA2 0.030 3.990 3.960 -0.000 0.000 0.218 108 G HA3 0.030 3.990 3.960 -0.000 0.000 0.218 108 G C 1.905 176.854 174.900 0.083 0.000 1.146 108 G CA 2.331 47.441 45.100 0.016 0.000 0.769 108 G HN 1.307 nan 8.290 nan 0.000 0.547 109 T N 1.089 115.724 114.554 0.135 0.000 2.720 109 T HA -0.091 4.259 4.350 -0.000 0.000 0.268 109 T C 2.485 177.285 174.700 0.167 0.000 1.037 109 T CA 1.501 63.737 62.100 0.227 0.000 1.144 109 T CB -0.588 68.435 68.868 0.258 0.000 0.864 109 T HN 0.358 nan 8.240 nan 0.000 0.444 110 G N 0.996 109.875 108.800 0.132 0.000 2.422 110 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.218 110 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.218 110 G C 1.820 176.804 174.900 0.140 0.000 1.146 110 G CA 0.854 46.040 45.100 0.143 0.000 0.769 110 G HN 0.594 nan 8.290 nan 0.000 0.547 111 A N 0.548 123.440 122.820 0.120 0.000 1.902 111 A HA 0.105 4.425 4.320 -0.000 0.000 0.217 111 A C 2.428 180.075 177.584 0.105 0.000 1.181 111 A CA 1.217 53.317 52.037 0.105 0.000 0.623 111 A CB -0.353 18.697 19.000 0.083 0.000 0.818 111 A HN 0.360 nan 8.150 nan 0.000 0.443 112 L N -1.263 120.036 121.223 0.126 0.000 2.027 112 L HA -0.164 4.176 4.340 -0.000 0.000 0.206 112 L C 2.754 179.700 176.870 0.127 0.000 1.074 112 L CA 1.679 56.601 54.840 0.136 0.000 0.745 112 L CB -0.469 41.719 42.059 0.214 0.000 0.898 112 L HN 0.386 nan 8.230 nan 0.000 0.433 113 R N 0.199 120.782 120.500 0.138 0.000 2.083 113 R HA -0.180 4.160 4.340 -0.000 0.000 0.237 113 R C 2.326 178.690 176.300 0.105 0.000 1.137 113 R CA 1.577 57.754 56.100 0.127 0.000 0.951 113 R CB -0.421 29.959 30.300 0.133 0.000 0.851 113 R HN 0.290 nan 8.270 nan 0.000 0.434 114 Q N -0.076 119.785 119.800 0.100 0.000 2.084 114 Q HA -0.042 4.298 4.340 -0.000 0.000 0.202 114 Q C 2.117 178.159 176.000 0.070 0.000 0.978 114 Q CA 1.766 57.615 55.803 0.078 0.000 0.844 114 Q CB -0.547 28.238 28.738 0.079 0.000 0.898 114 Q HN 0.482 nan 8.270 nan 0.000 0.426 115 A N 0.639 123.504 122.820 0.074 0.000 1.933 115 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 115 A C 2.124 179.746 177.584 0.062 0.000 1.175 115 A CA 1.154 53.229 52.037 0.064 0.000 0.628 115 A CB -0.466 18.572 19.000 0.063 0.000 0.814 115 A HN 0.254 nan 8.150 nan 0.000 0.444 116 L N -0.078 121.186 121.223 0.069 0.000 2.093 116 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 116 L C 2.459 179.364 176.870 0.059 0.000 1.085 116 L CA 1.648 56.528 54.840 0.066 0.000 0.755 116 L CB -0.683 41.422 42.059 0.076 0.000 0.904 116 L HN 0.357 nan 8.230 nan 0.000 0.435 117 E N -0.777 119.461 120.200 0.062 0.000 2.072 117 E HA -0.198 4.152 4.350 -0.000 0.000 0.191 117 E C 2.204 178.835 176.600 0.052 0.000 0.985 117 E CA 0.867 57.300 56.400 0.055 0.000 0.801 117 E CB -0.389 29.345 29.700 0.056 0.000 0.750 117 E HN 0.271 nan 8.360 nan 0.000 0.452 118 L N 1.143 122.398 121.223 0.053 0.000 2.017 118 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 118 L C 2.259 179.153 176.870 0.040 0.000 1.073 118 L CA 2.153 57.022 54.840 0.048 0.000 0.745 118 L CB -0.819 41.269 42.059 0.047 0.000 0.894 118 L HN 0.039 nan 8.230 nan 0.000 0.432 119 A N -0.539 122.306 122.820 0.042 0.000 1.902 119 A HA -0.264 4.056 4.320 -0.000 0.000 0.217 119 A C 2.549 180.154 177.584 0.035 0.000 1.181 119 A CA 1.876 53.937 52.037 0.040 0.000 0.623 119 A CB -0.695 18.334 19.000 0.047 0.000 0.818 119 A HN 0.503 nan 8.150 nan 0.000 0.443 120 R N -1.011 119.511 120.500 0.036 0.000 2.096 120 R HA -0.086 4.254 4.340 -0.000 0.000 0.235 120 R C 2.160 178.474 176.300 0.023 0.000 1.127 120 R CA 1.711 57.828 56.100 0.028 0.000 0.968 120 R CB -0.293 30.023 30.300 0.026 0.000 0.861 120 R HN 0.578 nan 8.270 nan 0.000 0.440 121 M N -0.506 119.110 119.600 0.026 0.000 2.117 121 M HA -0.116 4.364 4.480 -0.000 0.000 0.262 121 M C 2.340 178.644 176.300 0.008 0.000 1.065 121 M CA 1.833 57.144 55.300 0.017 0.000 1.114 121 M CB -0.118 32.496 32.600 0.023 0.000 1.361 121 M HN 0.287 nan 8.290 nan 0.000 0.408 122 A N -0.197 122.630 122.820 0.012 0.000 2.014 122 A HA -0.052 4.268 4.320 -0.000 0.000 0.218 122 A C 0.776 178.367 177.584 0.011 0.000 1.163 122 A CA 1.169 53.211 52.037 0.008 0.000 0.652 122 A CB -0.228 18.780 19.000 0.012 0.000 0.808 122 A HN 0.520 nan 8.150 nan 0.000 0.449 123 N N -1.754 116.956 118.700 0.016 0.000 2.629 123 N HA 0.305 5.045 4.740 -0.000 0.000 0.277 123 N C -2.830 172.691 175.510 0.019 0.000 1.188 123 N CA -1.565 51.495 53.050 0.018 0.000 0.835 123 N CB 1.439 39.941 38.487 0.025 0.000 1.420 123 N HN -0.237 nan 8.380 nan 0.000 0.542 124 P HA -0.014 nan 4.420 nan 0.000 0.217 124 P C -0.105 177.202 177.300 0.012 0.000 1.150 124 P CA 1.095 64.201 63.100 0.010 0.000 0.832 124 P CB 0.275 31.978 31.700 0.005 0.000 0.787 125 D N -0.641 119.769 120.400 0.016 0.000 2.344 125 D HA 0.035 4.675 4.640 -0.000 0.000 0.242 125 D C 0.929 177.248 176.300 0.032 0.000 1.159 125 D CA -0.070 53.942 54.000 0.020 0.000 0.859 125 D CB -0.093 40.719 40.800 0.020 0.000 0.925 125 D HN 0.140 nan 8.370 nan 0.000 0.510 134 F N 3.749 123.771 119.950 0.121 0.000 2.411 134 F HA 0.781 5.308 4.527 -0.000 0.000 0.352 134 F C 0.320 176.258 175.800 0.229 0.000 1.123 134 F CA -0.711 57.410 58.000 0.202 0.000 1.044 134 F CB 2.002 41.174 39.000 0.287 0.000 1.135 134 F HN 0.465 nan 8.300 nan 0.000 0.461 135 V N 0.229 120.252 119.914 0.183 0.000 2.815 135 V HA 0.783 4.903 4.120 -0.000 0.000 0.314 135 V C -0.016 175.784 176.094 -0.490 0.000 1.064 135 V CA -1.106 61.192 62.300 -0.004 0.000 0.952 135 V CB 1.331 33.164 31.823 0.016 0.000 1.020 135 V HN 0.732 nan 8.190 nan 0.000 0.439 136 S N 0.920 116.243 115.700 -0.628 0.000 2.593 136 S HA 0.354 4.824 4.470 -0.000 0.000 0.269 136 S C -0.306 174.097 174.600 -0.329 0.000 1.334 136 S CA -0.080 57.577 58.200 -0.906 0.000 1.015 136 S CB 0.916 63.782 63.200 -0.556 0.000 0.912 136 S HN 1.096 nan 8.310 nan 0.000 0.541 137 D N 1.859 122.151 120.400 -0.180 0.000 2.460 137 D HA 0.519 5.159 4.640 -0.000 0.000 0.232 137 D C -2.274 174.094 176.300 0.113 0.000 1.079 137 D CA -1.888 52.108 54.000 -0.006 0.000 0.864 137 D CB 1.297 42.114 40.800 0.028 0.000 1.048 137 D HN 0.347 nan 8.370 nan 0.000 0.523 138 P HA 0.416 nan 4.420 nan 0.000 0.304 138 P C -0.613 176.742 177.300 0.092 0.000 1.310 138 P CA -0.461 62.668 63.100 0.049 0.000 0.796 138 P CB 2.092 33.803 31.700 0.018 0.000 1.297 139 T N -2.249 112.363 114.554 0.097 0.000 2.731 139 T HA 0.327 4.677 4.350 -0.000 0.000 0.300 139 T C -1.862 172.940 174.700 0.171 0.000 1.283 139 T CA -0.457 61.751 62.100 0.178 0.000 1.005 139 T CB 0.120 69.202 68.868 0.356 0.000 1.420 139 T HN 0.329 nan 8.240 nan 0.000 0.503 140 W N 3.716 124.984 121.300 -0.054 0.000 2.505 140 W HA 0.289 4.949 4.660 -0.000 0.000 0.332 140 W C -2.083 174.321 176.519 -0.191 0.000 1.434 140 W CA -1.515 55.685 57.345 -0.242 0.000 1.320 140 W CB 0.177 29.312 29.460 -0.542 0.000 1.363 140 W HN 0.577 nan 8.180 nan 0.000 0.565 141 P HA -0.308 nan 4.420 nan 0.000 0.218 141 P C 0.996 178.040 177.300 -0.426 0.000 1.154 141 P CA 2.603 65.525 63.100 -0.297 0.000 0.872 141 P CB 0.270 31.795 31.700 -0.292 0.000 0.790 142 N N -2.087 116.066 118.700 -0.911 0.000 2.272 142 N HA -0.178 4.562 4.740 -0.000 0.000 0.185 142 N C 1.547 176.835 175.510 -0.369 0.000 1.014 142 N CA 1.021 53.549 53.050 -0.871 0.000 0.870 142 N CB -0.867 36.571 38.487 -1.748 0.000 0.975 142 N HN 0.443 nan 8.380 nan 0.000 0.433 143 H N -0.484 118.465 119.070 -0.202 0.000 2.290 143 H HA -0.075 4.481 4.556 -0.000 0.000 0.298 143 H C 1.818 177.138 175.328 -0.013 0.000 1.087 143 H CA 1.356 57.417 56.048 0.022 0.000 1.291 143 H CB 0.037 29.872 29.762 0.122 0.000 1.369 143 H HN -0.006 nan 8.280 nan 0.000 0.492 144 V N 0.197 120.173 119.914 0.103 0.000 2.343 144 V HA -0.252 3.868 4.120 -0.000 0.000 0.247 144 V C 2.338 178.442 176.094 0.015 0.000 1.051 144 V CA 1.843 64.168 62.300 0.042 0.000 1.036 144 V CB -0.420 31.410 31.823 0.012 0.000 0.654 144 V HN 0.403 nan 8.190 nan 0.000 0.451 145 S N 0.173 115.851 115.700 -0.036 0.000 2.365 145 S HA -0.193 4.277 4.470 -0.000 0.000 0.225 145 S C 1.898 176.519 174.600 0.035 0.000 1.039 145 S CA 1.939 60.118 58.200 -0.035 0.000 1.033 145 S CB -0.404 62.724 63.200 -0.121 0.000 0.887 145 S HN 0.504 nan 8.310 nan 0.000 0.447 146 I N 1.171 121.761 120.570 0.034 0.000 2.163 146 I HA -0.257 3.913 4.170 -0.000 0.000 0.243 146 I C 2.483 178.699 176.117 0.166 0.000 1.085 146 I CA 1.429 62.796 61.300 0.113 0.000 1.347 146 I CB -0.388 37.674 38.000 0.103 0.000 1.044 146 I HN 0.295 nan 8.210 nan 0.000 0.408 147 M N 0.207 119.872 119.600 0.108 0.000 2.108 147 M HA -0.216 4.264 4.480 -0.000 0.000 0.261 147 M C 2.023 178.363 176.300 0.067 0.000 1.066 147 M CA 1.782 57.130 55.300 0.079 0.000 1.107 147 M CB -0.569 32.063 32.600 0.052 0.000 1.356 147 M HN 0.226 nan 8.290 nan 0.000 0.406 148 N N 0.255 118.997 118.700 0.070 0.000 2.104 148 N HA -0.163 4.577 4.740 -0.000 0.000 0.190 148 N C 1.500 177.061 175.510 0.084 0.000 1.024 148 N CA 1.265 54.348 53.050 0.056 0.000 0.853 148 N CB -0.549 37.968 38.487 0.050 0.000 1.008 148 N HN 0.285 nan 8.380 nan 0.000 0.424 149 F N 1.215 121.158 119.950 -0.012 0.000 2.134 149 F HA -0.026 4.501 4.527 -0.000 0.000 0.299 149 F C 2.057 177.856 175.800 -0.002 0.000 1.097 149 F CA 1.251 59.246 58.000 -0.008 0.000 1.264 149 F CB -0.221 38.774 39.000 -0.008 0.000 1.001 149 F HN -0.028 nan 8.300 nan 0.000 0.479 150 M N -0.460 119.097 119.600 -0.072 0.000 2.562 150 M HA 0.148 4.628 4.480 -0.000 0.000 0.257 150 M C 1.552 177.776 176.300 -0.127 0.000 1.099 150 M CA 1.015 56.223 55.300 -0.153 0.000 1.099 150 M CB -0.432 32.166 32.600 -0.004 0.000 1.427 150 M HN 0.368 nan 8.290 nan 0.000 0.489 151 G N 1.480 110.230 108.800 -0.085 0.000 2.143 151 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.248 151 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.248 151 G C 0.097 174.975 174.900 -0.037 0.000 0.991 151 G CA -0.113 44.949 45.100 -0.064 0.000 0.689 151 G HN 0.378 nan 8.290 nan 0.000 0.522 155 V N 2.273 122.135 119.914 -0.086 0.000 2.448 155 V HA 0.643 4.763 4.120 -0.000 0.000 0.295 155 V C -0.267 175.715 176.094 -0.188 0.000 1.025 155 V CA -0.356 61.878 62.300 -0.111 0.000 0.859 155 V CB 1.869 33.659 31.823 -0.055 0.000 0.988 155 V HN 0.576 nan 8.190 nan 0.000 0.431 156 Q N 1.751 121.356 119.800 -0.324 0.000 2.348 156 Q HA 0.689 5.029 4.340 -0.000 0.000 0.271 156 Q C -0.645 175.215 176.000 -0.232 0.000 1.067 156 Q CA -0.214 55.319 55.803 -0.450 0.000 0.839 156 Q CB 2.382 30.384 28.738 -1.226 0.000 1.354 156 Q HN 0.808 nan 8.270 nan 0.000 0.447 157 T N 2.491 116.990 114.554 -0.093 0.000 2.829 157 T HA 0.566 4.916 4.350 -0.000 0.000 0.280 157 T C -1.511 173.290 174.700 0.170 0.000 0.999 157 T CA -0.411 61.691 62.100 0.004 0.000 0.983 157 T CB 0.312 69.167 68.868 -0.021 0.000 0.968 157 T HN 0.450 nan 8.240 nan 0.000 0.446 158 Y N 0.445 120.858 120.300 0.189 0.000 2.393 158 Y HA 0.731 5.281 4.550 -0.000 0.000 0.341 158 Y C 0.079 176.076 175.900 0.163 0.000 0.988 158 Y CA -1.663 56.551 58.100 0.189 0.000 1.078 158 Y CB 0.709 39.299 38.460 0.216 0.000 1.203 158 Y HN 0.404 nan 8.280 nan 0.000 0.453 159 R N 2.334 123.009 120.500 0.291 0.000 2.585 159 R HA 0.028 4.368 4.340 -0.000 0.000 0.275 159 R C -0.773 175.721 176.300 0.323 0.000 1.018 159 R CA 0.828 57.054 56.100 0.211 0.000 1.072 159 R CB 0.198 30.572 30.300 0.123 0.000 0.953 159 R HN 0.983 nan 8.270 nan 0.000 0.419 160 Y N 2.173 122.530 120.300 0.095 0.000 3.260 160 Y HA 0.185 4.735 4.550 -0.000 0.000 0.202 160 Y C -0.531 175.408 175.900 0.064 0.000 0.962 160 Y CA -0.391 57.762 58.100 0.088 0.000 1.582 160 Y CB 0.344 38.813 38.460 0.015 0.000 1.478 160 Y HN 0.475 nan 8.280 nan 0.000 0.384 161 F N 3.288 123.293 119.950 0.090 0.000 2.445 161 F HA 0.290 4.817 4.527 -0.000 0.000 0.359 161 F C -0.310 175.457 175.800 -0.054 0.000 1.101 161 F CA -0.819 57.167 58.000 -0.023 0.000 1.177 161 F CB 0.431 39.459 39.000 0.047 0.000 1.110 161 F HN 0.113 nan 8.300 nan 0.000 0.522 162 D N 5.033 125.042 120.400 -0.651 0.000 2.411 162 D HA 0.313 4.953 4.640 -0.000 0.000 0.225 162 D C 0.827 176.681 176.300 -0.743 0.000 1.156 162 D CA 0.058 53.759 54.000 -0.499 0.000 0.874 162 D CB 1.326 41.898 40.800 -0.380 0.000 1.034 162 D HN 0.640 nan 8.370 nan 0.000 0.502 163 A N 3.726 126.323 122.820 -0.372 0.000 2.131 163 A HA -0.177 4.143 4.320 -0.000 0.000 0.220 163 A C 1.885 179.329 177.584 -0.233 0.000 1.158 163 A CA 1.302 53.222 52.037 -0.195 0.000 0.665 163 A CB -0.290 18.724 19.000 0.024 0.000 0.795 163 A HN 0.587 nan 8.150 nan 0.000 0.460 164 E N -0.252 119.796 120.200 -0.254 0.000 2.042 164 E HA -0.089 4.261 4.350 -0.000 0.000 0.189 164 E C 2.161 178.602 176.600 -0.266 0.000 0.974 164 E CA 1.955 58.231 56.400 -0.208 0.000 0.806 164 E CB -0.257 29.351 29.700 -0.153 0.000 0.769 164 E HN 0.603 nan 8.360 nan 0.000 0.451 165 T N -2.686 111.681 114.554 -0.311 0.000 3.065 165 T HA 0.186 4.536 4.350 -0.000 0.000 0.252 165 T C 0.553 174.988 174.700 -0.440 0.000 1.099 165 T CA 0.334 62.261 62.100 -0.289 0.000 1.063 165 T CB 0.015 68.759 68.868 -0.206 0.000 0.948 165 T HN 0.101 nan 8.240 nan 0.000 0.506 166 R N 0.094 120.197 120.500 -0.661 0.000 3.951 166 R HA -0.093 4.247 4.340 -0.000 0.000 0.352 166 R C 0.630 176.675 176.300 -0.425 0.000 1.178 166 R CA 0.857 56.484 56.100 -0.789 0.000 0.949 166 R CB -2.103 27.511 30.300 -1.143 0.000 1.452 166 R HN 0.748 nan 8.270 nan 0.000 0.540 167 G N -1.550 106.979 108.800 -0.450 0.000 2.938 167 G HA2 0.610 4.570 3.960 -0.000 0.000 0.258 167 G HA3 0.610 4.570 3.960 -0.000 0.000 0.258 167 G C -0.680 174.005 174.900 -0.357 0.000 1.356 167 G CA -0.369 44.603 45.100 -0.213 0.000 1.052 167 G HN 0.051 nan 8.290 nan 0.000 0.550 168 V N 0.798 120.540 119.914 -0.287 0.000 2.498 168 V HA 0.182 4.301 4.120 -0.000 0.000 0.279 168 V C -0.151 175.790 176.094 -0.254 0.000 1.048 168 V CA -0.283 61.773 62.300 -0.407 0.000 0.967 168 V CB 1.539 33.086 31.823 -0.460 0.000 0.988 168 V HN 0.692 nan 8.190 nan 0.000 0.473 169 D N 3.333 123.592 120.400 -0.235 0.000 2.631 169 D HA 0.084 4.724 4.640 -0.000 0.000 0.227 169 D C 0.788 177.067 176.300 -0.034 0.000 1.146 169 D CA -0.349 53.583 54.000 -0.114 0.000 1.009 169 D CB -0.090 40.653 40.800 -0.096 0.000 1.057 169 D HN 0.407 nan 8.370 nan 0.000 0.509 170 F N 1.868 121.713 119.950 -0.176 0.000 2.126 170 F HA -0.162 4.364 4.527 -0.000 0.000 0.299 170 F C 1.900 177.644 175.800 -0.092 0.000 1.096 170 F CA 1.328 59.241 58.000 -0.144 0.000 1.255 170 F CB 0.297 39.211 39.000 -0.144 0.000 0.997 170 F HN 0.250 nan 8.300 nan 0.000 0.479 171 E N -0.046 120.099 120.200 -0.091 0.000 2.077 171 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 171 E C 2.565 179.063 176.600 -0.170 0.000 0.989 171 E CA 1.227 57.531 56.400 -0.159 0.000 0.800 171 E CB -1.202 28.461 29.700 -0.062 0.000 0.746 171 E HN 0.500 nan 8.360 nan 0.000 0.452 172 G N 1.204 109.943 108.800 -0.101 0.000 2.408 172 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.217 172 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.217 172 G C 1.636 176.504 174.900 -0.053 0.000 1.150 172 G CA 0.927 45.995 45.100 -0.054 0.000 0.776 172 G HN 0.208 nan 8.290 nan 0.000 0.542 173 M N 0.171 119.716 119.600 -0.092 0.000 2.086 173 M HA -0.021 4.459 4.480 -0.000 0.000 0.261 173 M C 2.532 178.678 176.300 -0.258 0.000 1.067 173 M CA 1.668 56.921 55.300 -0.077 0.000 1.116 173 M CB -0.141 32.416 32.600 -0.072 0.000 1.348 173 M HN 0.110 nan 8.290 nan 0.000 0.407 174 K N 0.197 120.334 120.400 -0.439 0.000 2.026 174 K HA -0.096 4.223 4.320 -0.000 0.000 0.208 174 K C 2.033 178.494 176.600 -0.231 0.000 1.048 174 K CA 1.471 57.511 56.287 -0.412 0.000 0.929 174 K CB -0.374 31.814 32.500 -0.519 0.000 0.713 174 K HN 0.463 nan 8.250 nan 0.000 0.439 175 A N 1.875 124.593 122.820 -0.169 0.000 1.972 175 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 175 A C 1.504 179.059 177.584 -0.048 0.000 1.169 175 A CA 1.949 53.931 52.037 -0.092 0.000 0.635 175 A CB -0.312 18.650 19.000 -0.063 0.000 0.810 175 A HN 0.192 nan 8.150 nan 0.000 0.446 176 D N -0.239 120.147 120.400 -0.023 0.000 2.162 176 D HA 0.002 4.642 4.640 -0.000 0.000 0.205 176 D C 1.876 178.185 176.300 0.015 0.000 0.964 176 D CA 0.632 54.673 54.000 0.068 0.000 0.847 176 D CB -0.312 40.598 40.800 0.184 0.000 0.988 176 D HN 0.396 nan 8.370 nan 0.000 0.480 177 L N 0.771 121.911 121.223 -0.137 0.000 2.275 177 L HA -0.061 4.278 4.340 -0.000 0.000 0.215 177 L C 2.291 178.992 176.870 -0.281 0.000 1.119 177 L CA 0.548 55.196 54.840 -0.319 0.000 0.790 177 L CB -0.310 41.509 42.059 -0.400 0.000 0.919 177 L HN -0.020 nan 8.230 nan 0.000 0.443 178 A N 0.162 122.879 122.820 -0.171 0.000 2.019 178 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 178 A C 2.334 179.861 177.584 -0.096 0.000 1.164 178 A CA 1.528 53.489 52.037 -0.126 0.000 0.644 178 A CB -0.416 18.530 19.000 -0.090 0.000 0.805 178 A HN 0.392 nan 8.150 nan 0.000 0.449 179 A N -0.742 122.041 122.820 -0.061 0.000 2.235 179 A HA 0.560 4.880 4.320 -0.000 0.000 0.208 179 A C 1.222 178.808 177.584 0.004 0.000 1.172 179 A CA 0.617 52.666 52.037 0.019 0.000 0.786 179 A CB -0.791 18.284 19.000 0.125 0.000 0.804 179 A HN 0.906 nan 8.150 nan 0.000 0.479 180 A N 0.805 123.479 122.820 -0.243 0.000 2.401 180 A HA 0.516 4.836 4.320 -0.000 0.000 0.259 180 A C 0.288 177.806 177.584 -0.110 0.000 1.103 180 A CA -0.279 51.545 52.037 -0.356 0.000 0.789 180 A CB 0.325 18.877 19.000 -0.746 0.000 1.035 180 A HN 0.236 nan 8.150 nan 0.000 0.491 181 K N 1.435 121.837 120.400 0.003 0.000 2.177 181 K HA 0.307 4.627 4.320 -0.000 0.000 0.238 181 K C 0.039 176.644 176.600 0.008 0.000 1.015 181 K CA -0.818 55.478 56.287 0.016 0.000 0.922 181 K CB 0.771 33.303 32.500 0.052 0.000 1.127 181 K HN 0.734 nan 8.250 nan 0.000 0.469 182 K N 0.101 120.505 120.400 0.008 0.000 2.451 182 K HA 0.062 4.382 4.320 -0.000 0.000 0.280 182 K C 0.683 177.298 176.600 0.025 0.000 1.020 182 K CA 1.357 57.649 56.287 0.009 0.000 1.008 182 K CB -0.081 32.424 32.500 0.008 0.000 0.917 182 K HN 0.758 nan 8.250 nan 0.000 0.478 183 G N 3.020 111.836 108.800 0.027 0.000 2.217 183 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.246 183 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.246 183 G C -0.210 174.728 174.900 0.064 0.000 0.990 183 G CA 0.172 45.296 45.100 0.040 0.000 0.627 183 G HN 0.691 nan 8.290 nan 0.000 0.522 184 D N 0.169 120.618 120.400 0.081 0.000 2.344 184 D HA 0.550 5.190 4.640 -0.000 0.000 0.244 184 D C 0.629 177.005 176.300 0.128 0.000 1.134 184 D CA 0.070 54.160 54.000 0.150 0.000 0.930 184 D CB 0.946 41.883 40.800 0.229 0.000 1.175 184 D HN 0.369 nan 8.370 nan 0.000 0.437 185 M N 1.155 120.871 119.600 0.193 0.000 2.294 185 M HA 0.401 4.880 4.480 -0.000 0.000 0.335 185 M C -1.676 174.759 176.300 0.226 0.000 1.079 185 M CA -0.698 54.697 55.300 0.158 0.000 0.982 185 M CB 1.431 34.109 32.600 0.131 0.000 1.651 185 M HN -0.027 nan 8.290 nan 0.000 0.437 186 V N 6.412 126.416 119.914 0.150 0.000 2.357 186 V HA 0.385 4.505 4.120 -0.000 0.000 0.284 186 V C -0.553 175.663 176.094 0.203 0.000 1.018 186 V CA -0.690 61.718 62.300 0.181 0.000 0.841 186 V CB 1.507 33.339 31.823 0.015 0.000 0.991 186 V HN 0.806 nan 8.190 nan 0.000 0.437 187 L N 6.495 127.880 121.223 0.270 0.000 2.260 187 L HA 0.499 4.839 4.340 -0.000 0.000 0.289 187 L C -1.095 175.960 176.870 0.309 0.000 1.057 187 L CA -0.340 54.613 54.840 0.188 0.000 0.811 187 L CB 0.691 42.767 42.059 0.029 0.000 1.184 187 L HN 0.405 nan 8.230 nan 0.000 0.429 188 L N 4.466 125.865 121.223 0.294 0.000 2.342 188 L HA 0.454 4.794 4.340 -0.000 0.000 0.271 188 L C -0.071 177.048 176.870 0.415 0.000 1.008 188 L CA -0.555 54.540 54.840 0.424 0.000 0.818 188 L CB 1.576 43.911 42.059 0.461 0.000 1.296 188 L HN 0.526 nan 8.230 nan 0.000 0.427 189 H N 1.357 120.624 119.070 0.328 0.000 2.668 189 H HA 0.128 4.684 4.556 -0.000 0.000 0.303 189 H C 0.931 176.517 175.328 0.432 0.000 1.074 189 H CA 0.124 56.348 56.048 0.292 0.000 1.406 189 H CB 1.743 31.632 29.762 0.212 0.000 1.442 189 H HN 0.891 nan 8.280 nan 0.000 0.482 190 G N 2.947 111.988 108.800 0.401 0.000 2.442 190 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.219 190 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.219 190 G C 0.600 175.732 174.900 0.387 0.000 1.141 190 G CA 1.132 46.423 45.100 0.319 0.000 0.763 190 G HN 0.772 nan 8.290 nan 0.000 0.554 191 C N -5.174 114.356 119.300 0.383 0.000 3.259 191 C HA 0.482 4.942 4.460 -0.000 0.000 0.344 191 C C 0.352 175.539 174.990 0.328 0.000 1.401 191 C CA -1.060 58.170 59.018 0.353 0.000 1.219 191 C CB 0.534 28.424 27.740 0.250 0.000 1.521 191 C HN 0.830 nan 8.230 nan 0.000 0.455 192 C N 2.316 121.767 119.300 0.252 0.000 2.977 192 C HA -0.124 4.336 4.460 -0.000 0.000 0.252 192 C C 0.594 175.680 174.990 0.160 0.000 1.310 192 C CA 1.147 60.250 59.018 0.141 0.000 2.393 192 C CB -3.180 24.562 27.740 0.005 0.000 1.512 192 C HN 1.169 nan 8.230 nan 0.000 0.453 193 H N 2.241 121.377 119.070 0.109 0.000 3.157 193 H HA 0.047 4.603 4.556 -0.000 0.000 0.299 193 H C 0.538 175.860 175.328 -0.010 0.000 0.961 193 H CA 1.082 57.126 56.048 -0.007 0.000 1.428 193 H CB 0.460 30.155 29.762 -0.112 0.000 1.459 193 H HN 0.714 nan 8.280 nan 0.000 0.566 194 N N 7.149 125.735 118.700 -0.190 0.000 2.419 194 N HA 0.128 4.868 4.740 -0.000 0.000 0.277 194 N C -1.950 173.440 175.510 -0.198 0.000 1.006 194 N CA -2.236 50.788 53.050 -0.042 0.000 0.923 194 N CB 1.622 40.162 38.487 0.088 0.000 1.140 194 N HN 0.366 nan 8.380 nan 0.000 0.488 195 P HA 0.021 nan 4.420 nan 0.000 0.245 195 P C 0.997 178.269 177.300 -0.047 0.000 1.199 195 P CA 0.581 63.613 63.100 -0.113 0.000 0.807 195 P CB 0.238 31.836 31.700 -0.170 0.000 1.002 196 T N -2.545 111.988 114.554 -0.034 0.000 2.652 196 T HA -0.036 4.314 4.350 -0.000 0.000 0.267 196 T C 1.872 176.448 174.700 -0.208 0.000 1.039 196 T CA 2.207 64.160 62.100 -0.245 0.000 1.153 196 T CB -1.540 67.117 68.868 -0.352 0.000 0.863 196 T HN 0.234 nan 8.240 nan 0.000 0.428 197 G N 1.337 110.097 108.800 -0.067 0.000 2.195 197 G HA2 0.016 3.976 3.960 -0.000 0.000 0.246 197 G HA3 0.016 3.976 3.960 -0.000 0.000 0.246 197 G C 0.256 175.008 174.900 -0.248 0.000 0.984 197 G CA 0.081 45.093 45.100 -0.148 0.000 0.633 197 G HN 1.351 nan 8.290 nan 0.000 0.525 198 A N 0.318 123.020 122.820 -0.196 0.000 2.328 198 A HA 0.704 5.024 4.320 -0.000 0.000 0.284 198 A C 0.218 177.897 177.584 0.157 0.000 1.160 198 A CA -0.118 51.931 52.037 0.019 0.000 0.818 198 A CB 0.408 19.489 19.000 0.135 0.000 1.087 198 A HN 0.378 nan 8.150 nan 0.000 0.504 199 N N 1.072 119.859 118.700 0.145 0.000 2.405 199 N HA 0.481 5.221 4.740 -0.000 0.000 0.285 199 N C -1.119 174.432 175.510 0.069 0.000 1.262 199 N CA -0.578 52.586 53.050 0.190 0.000 0.773 199 N CB 1.461 40.090 38.487 0.237 0.000 1.490 199 N HN 0.545 nan 8.380 nan 0.000 0.486 200 L N 0.980 122.232 121.223 0.049 0.000 2.371 200 L HA 0.304 4.644 4.340 -0.000 0.000 0.272 200 L C 1.239 178.111 176.870 0.004 0.000 1.124 200 L CA -0.484 54.244 54.840 -0.186 0.000 0.816 200 L CB 0.754 42.409 42.059 -0.672 0.000 1.129 200 L HN 0.625 nan 8.230 nan 0.000 0.448 201 T N -0.925 113.579 114.554 -0.083 0.000 2.874 201 T HA 0.175 4.525 4.350 -0.000 0.000 0.281 201 T C 0.948 175.757 174.700 0.181 0.000 0.994 201 T CA -0.820 61.308 62.100 0.047 0.000 1.015 201 T CB 1.338 70.179 68.868 -0.046 0.000 1.028 201 T HN 0.408 nan 8.240 nan 0.000 0.523 202 L N 0.654 122.010 121.223 0.220 0.000 2.127 202 L HA -0.073 4.267 4.340 -0.000 0.000 0.211 202 L C 2.083 179.062 176.870 0.181 0.000 1.089 202 L CA 1.806 56.797 54.840 0.253 0.000 0.757 202 L CB -1.074 41.059 42.059 0.123 0.000 0.899 202 L HN 0.749 nan 8.230 nan 0.000 0.434 203 D N -1.239 119.202 120.400 0.068 0.000 2.144 203 D HA -0.181 4.459 4.640 -0.000 0.000 0.200 203 D C 2.032 178.320 176.300 -0.020 0.000 0.978 203 D CA 1.052 55.066 54.000 0.023 0.000 0.833 203 D CB 0.161 40.950 40.800 -0.018 0.000 0.961 203 D HN 0.556 nan 8.370 nan 0.000 0.470 204 Q N -0.748 118.949 119.800 -0.173 0.000 2.172 204 Q HA -0.119 4.220 4.340 -0.000 0.000 0.200 204 Q C 2.018 177.964 176.000 -0.091 0.000 0.964 204 Q CA 0.768 56.307 55.803 -0.441 0.000 0.855 204 Q CB -0.067 28.026 28.738 -1.074 0.000 0.918 204 Q HN 0.399 nan 8.270 nan 0.000 0.444 205 W N 0.625 121.919 121.300 -0.010 0.000 2.374 205 W HA -0.145 4.515 4.660 -0.000 0.000 0.288 205 W C 2.421 178.980 176.519 0.067 0.000 1.218 205 W CA 0.971 58.352 57.345 0.060 0.000 1.245 205 W CB -0.041 29.446 29.460 0.046 0.000 1.126 205 W HN 0.167 nan 8.180 nan 0.000 0.545 206 A N 0.240 123.225 122.820 0.276 0.000 1.873 206 A HA -0.211 4.109 4.320 -0.000 0.000 0.215 206 A C 1.751 179.429 177.584 0.157 0.000 1.186 206 A CA 1.760 53.905 52.037 0.181 0.000 0.616 206 A CB -0.745 18.328 19.000 0.123 0.000 0.823 206 A HN 0.341 nan 8.150 nan 0.000 0.442 207 E N -0.351 119.952 120.200 0.171 0.000 2.077 207 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 207 E C 1.915 178.600 176.600 0.142 0.000 0.989 207 E CA 1.027 57.529 56.400 0.171 0.000 0.800 207 E CB -0.227 29.639 29.700 0.276 0.000 0.746 207 E HN 0.496 nan 8.360 nan 0.000 0.452 208 I N 1.309 121.991 120.570 0.188 0.000 2.163 208 I HA -0.281 3.889 4.170 -0.000 0.000 0.243 208 I C 2.533 178.705 176.117 0.091 0.000 1.085 208 I CA 1.313 62.673 61.300 0.099 0.000 1.347 208 I CB -1.454 36.599 38.000 0.089 0.000 1.044 208 I HN 0.040 nan 8.210 nan 0.000 0.408 209 A N 0.388 123.299 122.820 0.152 0.000 1.908 209 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 209 A C 2.570 180.193 177.584 0.065 0.000 1.181 209 A CA 2.298 54.408 52.037 0.121 0.000 0.627 209 A CB -0.804 18.278 19.000 0.137 0.000 0.818 209 A HN 0.468 nan 8.150 nan 0.000 0.445 210 S N -0.064 115.671 115.700 0.058 0.000 2.368 210 S HA -0.129 4.341 4.470 -0.000 0.000 0.225 210 S C 1.786 176.387 174.600 0.002 0.000 1.030 210 S CA 1.549 59.767 58.200 0.030 0.000 0.999 210 S CB -0.527 62.692 63.200 0.032 0.000 0.844 210 S HN 0.566 nan 8.310 nan 0.000 0.459 211 I N 1.380 121.941 120.570 -0.015 0.000 2.226 211 I HA -0.169 4.000 4.170 -0.000 0.000 0.245 211 I C 2.076 178.157 176.117 -0.059 0.000 1.100 211 I CA 1.057 62.323 61.300 -0.056 0.000 1.374 211 I CB -0.432 37.505 38.000 -0.104 0.000 1.057 211 I HN 0.219 nan 8.210 nan 0.000 0.413 212 L N 0.312 121.512 121.223 -0.038 0.000 2.046 212 L HA -0.196 4.143 4.340 -0.000 0.000 0.208 212 L C 2.534 179.394 176.870 -0.018 0.000 1.077 212 L CA 1.465 56.285 54.840 -0.033 0.000 0.747 212 L CB -0.610 41.451 42.059 0.003 0.000 0.896 212 L HN 0.260 nan 8.230 nan 0.000 0.432 213 E N 0.219 120.417 120.200 -0.003 0.000 2.051 213 E HA -0.284 4.066 4.350 -0.000 0.000 0.192 213 E C 2.147 178.741 176.600 -0.010 0.000 0.991 213 E CA 1.354 57.754 56.400 0.000 0.000 0.799 213 E CB -0.081 29.624 29.700 0.009 0.000 0.748 213 E HN 0.344 nan 8.360 nan 0.000 0.449 214 K N 0.672 121.062 120.400 -0.017 0.000 2.026 214 K HA -0.157 4.163 4.320 -0.000 0.000 0.208 214 K C 2.265 178.847 176.600 -0.030 0.000 1.048 214 K CA 2.015 58.288 56.287 -0.023 0.000 0.929 214 K CB -0.145 32.338 32.500 -0.029 0.000 0.713 214 K HN 0.201 nan 8.250 nan 0.000 0.439 215 T N -3.269 111.257 114.554 -0.046 0.000 3.023 215 T HA 0.121 4.470 4.350 -0.000 0.000 0.266 215 T C 1.405 176.081 174.700 -0.039 0.000 1.093 215 T CA 0.745 62.811 62.100 -0.056 0.000 1.129 215 T CB -0.153 68.654 68.868 -0.101 0.000 0.899 215 T HN 0.463 nan 8.240 nan 0.000 0.491 216 G N 1.438 110.221 108.800 -0.029 0.000 2.143 216 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.248 216 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.248 216 G C 0.207 175.098 174.900 -0.014 0.000 0.991 216 G CA -0.015 45.076 45.100 -0.015 0.000 0.689 216 G HN 1.177 nan 8.290 nan 0.000 0.522 217 A N -0.566 122.234 122.820 -0.033 0.000 2.340 217 A HA 0.739 5.059 4.320 -0.000 0.000 0.268 217 A C 0.278 177.862 177.584 -0.001 0.000 1.100 217 A CA -0.146 51.873 52.037 -0.030 0.000 0.803 217 A CB 0.937 19.880 19.000 -0.095 0.000 1.043 217 A HN 1.462 nan 8.150 nan 0.000 0.488 218 L N 4.557 125.793 121.223 0.023 0.000 2.265 218 L HA 0.467 4.807 4.340 -0.000 0.000 0.288 218 L C -2.154 174.747 176.870 0.052 0.000 1.058 218 L CA -1.848 53.014 54.840 0.037 0.000 0.809 218 L CB 1.063 43.147 42.059 0.043 0.000 1.179 218 L HN 0.431 nan 8.230 nan 0.000 0.429 219 P HA 0.168 nan 4.420 nan 0.000 0.286 219 P C -1.250 176.103 177.300 0.088 0.000 1.269 219 P CA -0.533 62.618 63.100 0.086 0.000 0.787 219 P CB 1.554 33.315 31.700 0.102 0.000 0.920 220 L N 5.550 126.833 121.223 0.100 0.000 2.295 220 L HA 0.448 4.788 4.340 -0.000 0.000 0.281 220 L C -0.683 176.245 176.870 0.096 0.000 1.018 220 L CA -0.642 54.246 54.840 0.080 0.000 0.841 220 L CB 0.302 42.398 42.059 0.062 0.000 1.218 220 L HN 0.229 nan 8.230 nan 0.000 0.424 221 I N 4.497 125.121 120.570 0.091 0.000 2.315 221 I HA 0.249 4.419 4.170 -0.000 0.000 0.291 221 I C -0.264 175.890 176.117 0.062 0.000 1.006 221 I CA -0.385 60.980 61.300 0.109 0.000 1.265 221 I CB 1.185 39.241 38.000 0.094 0.000 1.387 221 I HN 0.544 nan 8.210 nan 0.000 0.475 222 D N 7.723 128.151 120.400 0.047 0.000 2.380 222 D HA 0.204 4.844 4.640 -0.000 0.000 0.230 222 D C -1.009 175.295 176.300 0.006 0.000 1.154 222 D CA -0.365 53.629 54.000 -0.009 0.000 0.859 222 D CB 1.145 41.892 40.800 -0.090 0.000 1.045 222 D HN 0.238 nan 8.370 nan 0.000 0.495 223 L N 4.117 125.341 121.223 0.001 0.000 2.335 223 L HA 0.534 4.874 4.340 -0.000 0.000 0.268 223 L C 0.552 177.393 176.870 -0.048 0.000 1.037 223 L CA -0.184 54.666 54.840 0.017 0.000 0.895 223 L CB 0.991 43.066 42.059 0.026 0.000 1.266 223 L HN 0.462 nan 8.230 nan 0.000 0.439 224 A N 3.616 126.365 122.820 -0.119 0.000 2.259 224 A HA 0.226 4.546 4.320 -0.000 0.000 0.213 224 A C 0.317 177.595 177.584 -0.510 0.000 1.209 224 A CA 0.290 52.107 52.037 -0.365 0.000 0.910 224 A CB 0.099 18.722 19.000 -0.628 0.000 0.946 224 A HN 0.607 nan 8.150 nan 0.000 0.497 225 Y N 0.399 120.683 120.300 -0.028 0.000 2.699 225 Y HA 0.323 4.873 4.550 -0.000 0.000 0.282 225 Y C 0.548 176.546 175.900 0.164 0.000 1.058 225 Y CA -0.676 57.415 58.100 -0.014 0.000 1.194 225 Y CB 0.065 38.466 38.460 -0.099 0.000 1.193 225 Y HN 0.346 nan 8.280 nan 0.000 0.562 226 Q N 0.948 120.889 119.800 0.236 0.000 2.244 226 Q HA 0.346 4.686 4.340 -0.000 0.000 0.278 226 Q C 1.059 177.182 176.000 0.204 0.000 1.093 226 Q CA 1.328 57.249 55.803 0.196 0.000 0.916 226 Q CB 0.180 29.003 28.738 0.141 0.000 1.159 226 Q HN 0.834 nan 8.270 nan 0.000 0.384 227 G N 3.305 112.182 108.800 0.128 0.000 2.231 227 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.206 227 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.206 227 G C 0.126 174.953 174.900 -0.122 0.000 0.996 227 G CA -0.029 45.038 45.100 -0.055 0.000 0.645 227 G HN 0.640 nan 8.290 nan 0.000 0.498 228 F N 1.742 121.677 119.950 -0.025 0.000 2.698 228 F HA 0.395 4.922 4.527 -0.000 0.000 0.295 228 F C 2.345 178.126 175.800 -0.032 0.000 1.124 228 F CA 1.075 59.052 58.000 -0.038 0.000 1.426 228 F CB 0.181 39.187 39.000 0.010 0.000 1.120 228 F HN 0.325 nan 8.300 nan 0.000 0.583 229 G N -0.238 108.655 108.800 0.154 0.000 2.620 229 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.200 229 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.200 229 G C 0.948 175.876 174.900 0.047 0.000 1.710 229 G CA 0.437 45.600 45.100 0.105 0.000 0.919 229 G HN 0.115 nan 8.290 nan 0.000 0.455 230 D N 0.360 120.784 120.400 0.039 0.000 2.389 230 D HA 0.329 4.969 4.640 -0.000 0.000 0.206 230 D C 1.121 177.406 176.300 -0.026 0.000 1.055 230 D CA 1.034 55.040 54.000 0.010 0.000 0.856 230 D CB 1.485 42.301 40.800 0.027 0.000 0.957 230 D HN 0.549 nan 8.370 nan 0.000 0.509 234 E N 1.114 121.297 120.200 -0.027 0.000 2.072 234 E HA -0.147 4.203 4.350 -0.000 0.000 0.190 234 E C 1.564 178.151 176.600 -0.020 0.000 0.982 234 E CA 1.334 57.722 56.400 -0.020 0.000 0.803 234 E CB 0.198 29.884 29.700 -0.023 0.000 0.755 234 E HN 0.401 nan 8.360 nan 0.000 0.453 235 E N 1.196 121.386 120.200 -0.017 0.000 2.085 235 E HA -0.162 4.187 4.350 -0.000 0.000 0.194 235 E C 1.595 178.199 176.600 0.006 0.000 0.994 235 E CA 1.263 57.660 56.400 -0.005 0.000 0.801 235 E CB -0.157 29.543 29.700 0.001 0.000 0.743 235 E HN 0.176 nan 8.360 nan 0.000 0.453 236 D N -0.451 119.961 120.400 0.019 0.000 2.310 236 D HA -0.048 4.592 4.640 -0.000 0.000 0.212 236 D C 1.262 177.567 176.300 0.008 0.000 0.965 236 D CA 1.143 55.171 54.000 0.047 0.000 0.879 236 D CB -0.050 40.799 40.800 0.082 0.000 0.921 236 D HN 0.223 nan 8.370 nan 0.000 0.510 237 A N 0.174 122.977 122.820 -0.027 0.000 2.267 237 A HA 0.439 4.759 4.320 -0.000 0.000 0.213 237 A C 2.123 179.622 177.584 -0.143 0.000 1.192 237 A CA 0.767 52.761 52.037 -0.072 0.000 0.851 237 A CB -0.025 18.950 19.000 -0.040 0.000 0.881 237 A HN 0.130 nan 8.150 nan 0.000 0.494 238 A N 0.326 123.067 122.820 -0.132 0.000 1.884 238 A HA -0.044 4.276 4.320 -0.000 0.000 0.219 238 A C 2.365 179.755 177.584 -0.323 0.000 1.197 238 A CA 2.216 54.156 52.037 -0.161 0.000 0.637 238 A CB -1.414 17.530 19.000 -0.093 0.000 0.827 238 A HN 0.762 nan 8.150 nan 0.000 0.450 239 G N -1.522 106.912 108.800 -0.609 0.000 2.418 239 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.217 239 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.217 239 G C 1.578 175.874 174.900 -1.007 0.000 1.158 239 G CA 1.711 45.983 45.100 -1.381 0.000 0.771 239 G HN 0.464 nan 8.290 nan 0.000 0.545 240 T N 0.737 114.890 114.554 -0.669 0.000 2.720 240 T HA -0.108 4.242 4.350 -0.000 0.000 0.268 240 T C 2.466 177.030 174.700 -0.227 0.000 1.037 240 T CA 1.282 63.163 62.100 -0.365 0.000 1.144 240 T CB -0.161 68.586 68.868 -0.201 0.000 0.864 240 T HN 0.272 nan 8.240 nan 0.000 0.444 241 R N 0.334 120.715 120.500 -0.199 0.000 2.115 241 R HA 0.130 4.470 4.340 -0.000 0.000 0.230 241 R C 2.465 178.705 176.300 -0.101 0.000 1.111 241 R CA 0.729 56.758 56.100 -0.119 0.000 0.976 241 R CB -0.439 29.805 30.300 -0.094 0.000 0.870 241 R HN 0.331 nan 8.270 nan 0.000 0.445 242 L N 0.600 121.741 121.223 -0.137 0.000 2.072 242 L HA -0.129 4.210 4.340 -0.000 0.000 0.205 242 L C 1.939 178.792 176.870 -0.027 0.000 1.079 242 L CA 1.111 55.912 54.840 -0.066 0.000 0.752 242 L CB -0.051 41.979 42.059 -0.049 0.000 0.906 242 L HN 0.107 nan 8.230 nan 0.000 0.436 243 I N 0.514 121.052 120.570 -0.053 0.000 2.179 243 I HA -0.242 3.928 4.170 -0.000 0.000 0.242 243 I C 2.837 178.956 176.117 0.005 0.000 1.088 243 I CA 1.498 62.808 61.300 0.017 0.000 1.357 243 I CB -1.742 36.276 38.000 0.031 0.000 1.051 243 I HN 0.334 nan 8.210 nan 0.000 0.409 244 A N 1.020 123.824 122.820 -0.026 0.000 1.978 244 A HA -0.200 4.120 4.320 -0.000 0.000 0.220 244 A C 2.480 180.059 177.584 -0.008 0.000 1.170 244 A CA 2.354 54.381 52.037 -0.017 0.000 0.636 244 A CB -0.671 18.310 19.000 -0.032 0.000 0.810 244 A HN 0.584 nan 8.150 nan 0.000 0.448 245 S N -0.974 114.720 115.700 -0.010 0.000 2.425 245 S HA 0.004 4.474 4.470 -0.000 0.000 0.225 245 S C 1.902 176.507 174.600 0.007 0.000 1.024 245 S CA 0.456 58.654 58.200 -0.003 0.000 0.951 245 S CB -0.159 63.037 63.200 -0.007 0.000 0.796 245 S HN 0.547 nan 8.310 nan 0.000 0.498 246 R N 0.879 121.389 120.500 0.016 0.000 2.080 246 R HA 0.310 4.650 4.340 -0.000 0.000 0.222 246 R C 0.386 176.700 176.300 0.023 0.000 1.107 246 R CA 0.430 56.544 56.100 0.024 0.000 0.980 246 R CB -0.471 29.852 30.300 0.040 0.000 0.879 246 R HN 0.391 nan 8.270 nan 0.000 0.439 247 I N 3.867 124.453 120.570 0.026 0.000 2.353 247 I HA 0.141 4.311 4.170 -0.000 0.000 0.293 247 I C -1.266 174.861 176.117 0.017 0.000 0.992 247 I CA -2.639 58.676 61.300 0.025 0.000 1.268 247 I CB 0.932 38.953 38.000 0.035 0.000 1.387 247 I HN -0.115 nan 8.210 nan 0.000 0.478 248 P HA -0.052 nan 4.420 nan 0.000 0.216 248 P C 0.088 177.396 177.300 0.012 0.000 1.153 248 P CA 1.152 64.259 63.100 0.011 0.000 0.844 248 P CB 0.721 32.426 31.700 0.009 0.000 0.787 249 E N -0.059 120.151 120.200 0.016 0.000 2.158 249 E HA 0.489 4.839 4.350 -0.000 0.000 0.271 249 E C -1.072 175.542 176.600 0.024 0.000 0.911 249 E CA -0.713 55.698 56.400 0.018 0.000 0.767 249 E CB 2.385 32.096 29.700 0.018 0.000 1.120 249 E HN -0.166 nan 8.360 nan 0.000 0.405 250 V N 3.488 123.416 119.914 0.024 0.000 2.932 250 V HA 0.347 4.467 4.120 -0.000 0.000 0.307 250 V C -1.196 174.915 176.094 0.029 0.000 1.147 250 V CA -0.904 61.414 62.300 0.030 0.000 0.951 250 V CB 2.002 33.840 31.823 0.024 0.000 1.031 250 V HN 0.477 nan 8.190 nan 0.000 0.426 251 L N 4.746 125.991 121.223 0.038 0.000 2.341 251 L HA 0.662 5.002 4.340 -0.000 0.000 0.278 251 L C -0.542 176.350 176.870 0.037 0.000 1.005 251 L CA -0.156 54.707 54.840 0.037 0.000 0.818 251 L CB 1.541 43.626 42.059 0.044 0.000 1.259 251 L HN 0.492 nan 8.230 nan 0.000 0.418 252 I N 2.964 123.551 120.570 0.028 0.000 2.439 252 I HA 0.549 4.719 4.170 -0.000 0.000 0.285 252 I C -0.181 175.950 176.117 0.025 0.000 1.021 252 I CA -0.689 60.625 61.300 0.024 0.000 1.091 252 I CB 1.986 39.990 38.000 0.007 0.000 1.242 252 I HN 0.660 nan 8.210 nan 0.000 0.439 253 A N 5.617 128.454 122.820 0.029 0.000 2.444 253 A HA 0.801 5.121 4.320 -0.000 0.000 0.332 253 A C 0.206 177.797 177.584 0.011 0.000 1.430 253 A CA -0.384 51.672 52.037 0.032 0.000 0.975 253 A CB 0.259 19.288 19.000 0.048 0.000 1.147 253 A HN 0.769 nan 8.150 nan 0.000 0.524 254 A N 1.923 124.748 122.820 0.009 0.000 2.316 254 A HA 0.746 5.066 4.320 -0.000 0.000 0.284 254 A C 0.441 178.023 177.584 -0.003 0.000 1.115 254 A CA -0.156 51.880 52.037 -0.002 0.000 0.812 254 A CB 0.765 19.762 19.000 -0.005 0.000 1.064 254 A HN 1.135 nan 8.150 nan 0.000 0.489 255 S N -0.418 115.264 115.700 -0.029 0.000 2.526 255 S HA 0.442 4.912 4.470 -0.000 0.000 0.293 255 S C -0.003 174.601 174.600 0.006 0.000 1.092 255 S CA -0.536 57.636 58.200 -0.047 0.000 0.980 255 S CB 1.131 64.236 63.200 -0.157 0.000 1.048 255 S HN 0.775 nan 8.310 nan 0.000 0.483 256 C N 2.505 121.817 119.300 0.020 0.000 3.183 256 C HA 0.273 4.733 4.460 -0.000 0.000 0.285 256 C C 2.447 177.459 174.990 0.036 0.000 1.313 256 C CA -0.210 58.878 59.018 0.117 0.000 1.711 256 C CB -1.250 26.464 27.740 -0.043 0.000 2.135 256 C HN 0.879 nan 8.230 nan 0.000 0.651 257 S N 2.394 118.027 115.700 -0.112 0.000 2.359 257 S HA -0.224 4.246 4.470 -0.000 0.000 0.222 257 S C 1.866 176.069 174.600 -0.662 0.000 1.038 257 S CA 1.843 59.861 58.200 -0.304 0.000 1.051 257 S CB -0.094 62.992 63.200 -0.190 0.000 0.944 257 S HN 0.645 nan 8.310 nan 0.000 0.433 258 K N 2.047 122.168 120.400 -0.465 0.000 2.029 258 K HA 0.059 4.379 4.320 -0.000 0.000 0.205 258 K C 1.779 178.434 176.600 0.091 0.000 1.042 258 K CA 1.151 57.220 56.287 -0.364 0.000 0.949 258 K CB -0.434 31.814 32.500 -0.418 0.000 0.740 258 K HN 0.404 nan 8.250 nan 0.000 0.442 259 N N 0.332 119.186 118.700 0.257 0.000 2.519 259 N HA -0.142 4.598 4.740 -0.000 0.000 0.186 259 N C 0.679 176.331 175.510 0.236 0.000 1.062 259 N CA 1.213 54.514 53.050 0.418 0.000 0.910 259 N CB -0.183 38.523 38.487 0.364 0.000 0.958 259 N HN 0.198 nan 8.380 nan 0.000 0.445 260 F N -1.067 119.007 119.950 0.207 0.000 2.767 260 F HA 0.399 4.926 4.527 -0.000 0.000 0.323 260 F C 1.606 177.440 175.800 0.056 0.000 1.091 260 F CA 0.065 58.149 58.000 0.139 0.000 1.192 260 F CB 0.456 39.404 39.000 -0.087 0.000 1.056 260 F HN 0.139 nan 8.300 nan 0.000 0.571 261 G N 2.337 111.186 108.800 0.081 0.000 2.249 261 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.273 261 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.273 261 G C 0.451 175.373 174.900 0.038 0.000 1.036 261 G CA 0.606 45.714 45.100 0.013 0.000 0.824 261 G HN 0.600 nan 8.290 nan 0.000 0.504 262 I N -3.602 116.927 120.570 -0.068 0.000 3.137 262 I HA 0.478 4.648 4.170 -0.000 0.000 0.343 262 I C 1.488 177.609 176.117 0.008 0.000 1.394 262 I CA -1.321 59.993 61.300 0.025 0.000 0.952 262 I CB -0.282 37.720 38.000 0.003 0.000 1.921 262 I HN 0.010 nan 8.210 nan 0.000 0.530 263 Y N 2.558 122.911 120.300 0.089 0.000 2.040 263 Y HA -0.306 4.243 4.550 -0.000 0.000 0.275 263 Y C 2.864 178.790 175.900 0.044 0.000 1.171 263 Y CA 2.509 60.648 58.100 0.065 0.000 1.123 263 Y CB -0.545 37.962 38.460 0.078 0.000 0.963 263 Y HN 0.449 nan 8.280 nan 0.000 0.493 264 R N 0.360 120.999 120.500 0.232 0.000 2.237 264 R HA -0.087 4.253 4.340 -0.000 0.000 0.219 264 R C 1.329 177.670 176.300 0.069 0.000 1.080 264 R CA 1.395 57.570 56.100 0.124 0.000 0.995 264 R CB -0.433 29.928 30.300 0.102 0.000 0.875 264 R HN 0.287 nan 8.270 nan 0.000 0.462 265 E N 1.339 121.576 120.200 0.062 0.000 2.274 265 E HA -0.050 4.300 4.350 -0.000 0.000 0.194 265 E C -0.140 176.450 176.600 -0.016 0.000 0.996 265 E CA 0.259 56.675 56.400 0.025 0.000 0.840 265 E CB -0.008 29.708 29.700 0.027 0.000 0.772 265 E HN 0.192 nan 8.360 nan 0.000 0.491 266 R N 0.394 120.888 120.500 -0.009 0.000 2.983 266 R HA -0.096 4.244 4.340 -0.000 0.000 0.272 266 R C -0.838 175.421 176.300 -0.069 0.000 0.926 266 R CA 0.461 56.545 56.100 -0.027 0.000 0.667 266 R CB -3.226 27.051 30.300 -0.039 0.000 1.540 266 R HN 0.000 nan 8.270 nan 0.000 0.467 267 T N 0.262 114.772 114.554 -0.073 0.000 2.833 267 T HA 0.722 5.072 4.350 -0.000 0.000 0.297 267 T C 0.601 175.294 174.700 -0.011 0.000 1.015 267 T CA 0.057 62.092 62.100 -0.109 0.000 0.963 267 T CB 2.124 70.872 68.868 -0.200 0.000 0.955 267 T HN 0.587 nan 8.240 nan 0.000 0.449 268 G N 0.270 109.099 108.800 0.049 0.000 2.766 268 G HA2 0.675 4.635 3.960 -0.000 0.000 0.288 268 G HA3 0.675 4.635 3.960 -0.000 0.000 0.288 268 G C -1.597 173.427 174.900 0.207 0.000 1.408 268 G CA -0.689 44.476 45.100 0.108 0.000 0.852 268 G HN 0.876 nan 8.290 nan 0.000 0.487 269 C N 0.328 119.710 119.300 0.137 0.000 2.891 269 C HA 0.729 5.189 4.460 -0.000 0.000 0.342 269 C C -1.192 173.835 174.990 0.062 0.000 1.126 269 C CA -0.749 58.341 59.018 0.120 0.000 1.322 269 C CB 0.465 28.210 27.740 0.007 0.000 1.763 269 C HN 0.821 nan 8.230 nan 0.000 0.491 270 L N 5.774 127.038 121.223 0.067 0.000 2.305 270 L HA 0.690 5.030 4.340 -0.000 0.000 0.284 270 L C -1.467 175.422 176.870 0.032 0.000 1.013 270 L CA -0.488 54.383 54.840 0.051 0.000 0.819 270 L CB 1.327 43.426 42.059 0.066 0.000 1.227 270 L HN 0.699 nan 8.230 nan 0.000 0.417 271 L N 5.016 126.249 121.223 0.017 0.000 2.313 271 L HA 0.572 4.912 4.340 -0.000 0.000 0.283 271 L C 0.138 177.016 176.870 0.014 0.000 1.013 271 L CA 0.010 54.854 54.840 0.006 0.000 0.816 271 L CB 1.720 43.772 42.059 -0.013 0.000 1.236 271 L HN 0.638 nan 8.230 nan 0.000 0.419 272 A N 4.423 127.252 122.820 0.015 0.000 2.316 272 A HA 0.713 5.033 4.320 -0.000 0.000 0.324 272 A C -0.871 176.720 177.584 0.011 0.000 1.375 272 A CA -0.474 51.574 52.037 0.018 0.000 0.882 272 A CB 0.075 19.088 19.000 0.022 0.000 1.152 272 A HN 0.479 nan 8.150 nan 0.000 0.512 273 L N 2.722 123.951 121.223 0.010 0.000 2.281 273 L HA 0.363 4.703 4.340 -0.000 0.000 0.285 273 L C 0.089 176.965 176.870 0.009 0.000 1.074 273 L CA 0.321 55.165 54.840 0.006 0.000 0.817 273 L CB 0.379 42.441 42.059 0.004 0.000 1.168 273 L HN 0.732 nan 8.230 nan 0.000 0.434 274 C N 1.007 120.311 119.300 0.007 0.000 2.423 274 C HA 0.698 5.158 4.460 -0.000 0.000 0.378 274 C C 1.690 176.683 174.990 0.005 0.000 1.244 274 C CA -0.421 58.601 59.018 0.007 0.000 1.978 274 C CB 1.322 29.066 27.740 0.006 0.000 2.252 274 C HN 0.929 nan 8.230 nan 0.000 0.526 275 A N -0.014 122.809 122.820 0.005 0.000 2.016 275 A HA 0.212 4.532 4.320 -0.000 0.000 0.217 275 A C 0.235 177.821 177.584 0.003 0.000 1.162 275 A CA 1.484 53.523 52.037 0.004 0.000 0.662 275 A CB -0.441 18.561 19.000 0.004 0.000 0.812 275 A HN 1.017 nan 8.150 nan 0.000 0.450 276 D N -4.994 115.408 120.400 0.002 0.000 2.653 276 D HA 0.527 5.167 4.640 -0.000 0.000 0.258 276 D C 0.433 176.734 176.300 0.001 0.000 1.252 276 D CA -0.077 53.923 54.000 0.001 0.000 0.777 276 D CB 0.809 41.609 40.800 0.000 0.000 1.339 276 D HN 0.012 nan 8.370 nan 0.000 0.422 277 A N 0.554 123.375 122.820 0.001 0.000 1.908 277 A HA 0.056 4.376 4.320 -0.000 0.000 0.218 277 A C 2.186 179.770 177.584 -0.000 0.000 1.181 277 A CA 2.684 54.722 52.037 0.001 0.000 0.627 277 A CB -1.360 17.640 19.000 0.001 0.000 0.818 277 A HN 0.813 nan 8.150 nan 0.000 0.445 278 A N -1.059 121.760 122.820 -0.001 0.000 1.908 278 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 278 A C 2.318 179.899 177.584 -0.004 0.000 1.181 278 A CA 2.406 54.441 52.037 -0.003 0.000 0.627 278 A CB -1.286 17.712 19.000 -0.004 0.000 0.818 278 A HN 0.453 nan 8.150 nan 0.000 0.445 279 T N -0.934 113.619 114.554 -0.003 0.000 2.821 279 T HA -0.100 4.250 4.350 -0.000 0.000 0.267 279 T C 2.066 176.766 174.700 -0.000 0.000 1.046 279 T CA 1.142 63.241 62.100 -0.002 0.000 1.139 279 T CB -0.229 68.639 68.868 0.000 0.000 0.871 279 T HN 0.483 nan 8.240 nan 0.000 0.454 280 R N 1.016 121.517 120.500 0.002 0.000 2.083 280 R HA -0.142 4.198 4.340 -0.000 0.000 0.237 280 R C 2.245 178.547 176.300 0.004 0.000 1.137 280 R CA 1.642 57.744 56.100 0.004 0.000 0.951 280 R CB -0.227 30.075 30.300 0.004 0.000 0.851 280 R HN 0.239 nan 8.270 nan 0.000 0.434 281 E N 0.486 120.687 120.200 0.002 0.000 2.110 281 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 281 E C 1.773 178.371 176.600 -0.003 0.000 0.988 281 E CA 0.762 57.162 56.400 0.001 0.000 0.804 281 E CB -0.202 29.497 29.700 -0.001 0.000 0.745 281 E HN 0.162 nan 8.360 nan 0.000 0.458 282 L N -0.270 120.948 121.223 -0.008 0.000 2.056 282 L HA -0.051 4.289 4.340 -0.000 0.000 0.207 282 L C 2.020 178.884 176.870 -0.011 0.000 1.078 282 L CA 1.895 56.726 54.840 -0.016 0.000 0.749 282 L CB -0.812 41.237 42.059 -0.017 0.000 0.901 282 L HN 0.146 nan 8.230 nan 0.000 0.433 283 A N -1.458 121.362 122.820 -0.000 0.000 1.872 283 A HA -0.233 4.087 4.320 -0.000 0.000 0.214 283 A C 2.229 179.824 177.584 0.017 0.000 1.187 283 A CA 1.446 53.488 52.037 0.009 0.000 0.614 283 A CB -0.604 18.404 19.000 0.013 0.000 0.826 283 A HN 0.461 nan 8.150 nan 0.000 0.442 284 Q N 0.141 119.951 119.800 0.016 0.000 2.096 284 Q HA -0.076 4.264 4.340 -0.000 0.000 0.204 284 Q C 1.891 177.907 176.000 0.027 0.000 0.982 284 Q CA 2.303 58.120 55.803 0.023 0.000 0.850 284 Q CB -0.982 27.768 28.738 0.020 0.000 0.901 284 Q HN 0.506 nan 8.270 nan 0.000 0.422 285 G N -0.277 108.532 108.800 0.016 0.000 2.421 285 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.216 285 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.216 285 G C 1.475 176.398 174.900 0.038 0.000 1.171 285 G CA 0.920 46.029 45.100 0.016 0.000 0.775 285 G HN 0.534 nan 8.290 nan 0.000 0.543 286 A N 0.387 123.219 122.820 0.021 0.000 1.972 286 A HA 0.082 4.402 4.320 -0.000 0.000 0.219 286 A C 2.448 180.101 177.584 0.114 0.000 1.169 286 A CA 1.717 53.784 52.037 0.050 0.000 0.635 286 A CB -0.312 18.696 19.000 0.013 0.000 0.810 286 A HN 0.398 nan 8.150 nan 0.000 0.446 287 M N -0.658 118.985 119.600 0.071 0.000 2.099 287 M HA -0.086 4.393 4.480 -0.000 0.000 0.262 287 M C 2.527 178.855 176.300 0.046 0.000 1.067 287 M CA 1.412 56.747 55.300 0.058 0.000 1.124 287 M CB -0.337 32.291 32.600 0.047 0.000 1.353 287 M HN 0.444 nan 8.290 nan 0.000 0.410 288 A N -0.142 122.708 122.820 0.050 0.000 1.933 288 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 288 A C 2.003 179.591 177.584 0.006 0.000 1.175 288 A CA 1.288 53.334 52.037 0.015 0.000 0.628 288 A CB -0.987 18.025 19.000 0.020 0.000 0.814 288 A HN 0.527 nan 8.150 nan 0.000 0.444 289 F N -0.025 119.874 119.950 -0.085 0.000 2.171 289 F HA -0.130 4.397 4.527 -0.000 0.000 0.300 289 F C 1.775 177.504 175.800 -0.118 0.000 1.090 289 F CA 1.381 59.324 58.000 -0.095 0.000 1.293 289 F CB -0.188 38.772 39.000 -0.067 0.000 1.013 289 F HN 0.163 nan 8.300 nan 0.000 0.486 290 L N 0.750 121.953 121.223 -0.032 0.000 2.017 290 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 290 L C 2.180 178.862 176.870 -0.313 0.000 1.073 290 L CA 1.623 56.375 54.840 -0.147 0.000 0.745 290 L CB -1.452 40.594 42.059 -0.021 0.000 0.894 290 L HN 0.102 nan 8.230 nan 0.000 0.432 291 N N -0.602 117.922 118.700 -0.292 0.000 2.058 291 N HA -0.193 4.547 4.740 -0.000 0.000 0.191 291 N C 2.024 177.196 175.510 -0.563 0.000 1.037 291 N CA 1.149 53.914 53.050 -0.476 0.000 0.848 291 N CB -0.263 38.095 38.487 -0.214 0.000 1.021 291 N HN 0.182 nan 8.380 nan 0.000 0.422 292 R N 0.516 120.764 120.500 -0.421 0.000 2.103 292 R HA -0.120 4.220 4.340 -0.000 0.000 0.242 292 R C 1.107 177.155 176.300 -0.419 0.000 1.142 292 R CA 1.300 57.150 56.100 -0.416 0.000 0.960 292 R CB 0.032 30.110 30.300 -0.370 0.000 0.858 292 R HN 0.304 nan 8.270 nan 0.000 0.439 293 Q N -1.028 118.464 119.800 -0.512 0.000 2.435 293 Q HA 0.004 4.344 4.340 -0.000 0.000 0.207 293 Q C 1.372 177.177 176.000 -0.325 0.000 0.956 293 Q CA 1.060 56.590 55.803 -0.455 0.000 0.917 293 Q CB 0.567 28.937 28.738 -0.613 0.000 0.997 293 Q HN 0.355 nan 8.270 nan 0.000 0.497 294 T N -0.714 113.597 114.554 -0.404 0.000 3.056 294 T HA 0.028 4.378 4.350 -0.000 0.000 0.241 294 T C 0.398 174.982 174.700 -0.194 0.000 1.006 294 T CA 0.720 62.622 62.100 -0.330 0.000 1.115 294 T CB 0.176 68.770 68.868 -0.457 0.000 0.939 294 T HN 0.415 nan 8.240 nan 0.000 0.462 295 Y N -1.022 119.244 120.300 -0.057 0.000 3.022 295 Y HA 0.644 5.194 4.550 -0.000 0.000 0.275 295 Y C 0.676 176.563 175.900 -0.021 0.000 1.071 295 Y CA -0.747 57.342 58.100 -0.019 0.000 1.276 295 Y CB -0.479 37.989 38.460 0.013 0.000 1.325 295 Y HN 0.007 nan 8.280 nan 0.000 0.594 296 S N 0.071 115.717 115.700 -0.090 0.000 4.157 296 S HA -0.283 4.187 4.470 -0.000 0.000 0.578 296 S C -0.181 174.311 174.600 -0.181 0.000 1.867 296 S CA 1.722 59.801 58.200 -0.202 0.000 4.249 296 S CB -1.423 61.740 63.200 -0.062 0.000 0.208 296 S HN 0.413 nan 8.310 nan 0.000 0.457 297 F N 5.096 125.155 119.950 0.182 0.000 2.397 297 F HA 0.570 5.097 4.527 -0.000 0.000 0.331 297 F C -1.763 174.200 175.800 0.271 0.000 1.090 297 F CA -1.749 56.372 58.000 0.202 0.000 1.065 297 F CB 0.510 39.614 39.000 0.174 0.000 1.184 297 F HN 0.175 nan 8.300 nan 0.000 0.499 298 P HA 0.277 nan 4.420 nan 0.000 0.282 298 P C -2.720 174.638 177.300 0.098 0.000 1.259 298 P CA -1.846 61.365 63.100 0.185 0.000 0.826 298 P CB 0.368 32.182 31.700 0.190 0.000 1.064 299 P HA 0.034 nan 4.420 nan 0.000 0.262 299 P C 0.235 177.541 177.300 0.010 0.000 1.182 299 P CA 0.248 63.341 63.100 -0.010 0.000 0.761 299 P CB 0.020 31.671 31.700 -0.081 0.000 0.795 300 F N 3.346 123.249 119.950 -0.079 0.000 2.188 300 F HA -0.049 4.478 4.527 -0.000 0.000 0.289 300 F C 2.403 178.121 175.800 -0.136 0.000 1.082 300 F CA 1.147 59.080 58.000 -0.112 0.000 1.282 300 F CB -0.532 38.426 39.000 -0.070 0.000 1.060 300 F HN 0.394 nan 8.300 nan 0.000 0.493 301 H N -0.045 119.033 119.070 0.013 0.000 2.267 301 H HA -0.189 4.367 4.556 -0.000 0.000 0.291 301 H C 2.433 177.585 175.328 -0.293 0.000 1.094 301 H CA 2.446 58.431 56.048 -0.106 0.000 1.227 301 H CB -0.961 28.794 29.762 -0.011 0.000 1.351 301 H HN 0.385 nan 8.280 nan 0.000 0.483 302 G N -0.630 108.040 108.800 -0.216 0.000 2.418 302 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.217 302 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.217 302 G C 1.881 176.465 174.900 -0.526 0.000 1.158 302 G CA 1.013 45.927 45.100 -0.310 0.000 0.771 302 G HN 0.640 nan 8.290 nan 0.000 0.545 303 A N 0.532 122.924 122.820 -0.714 0.000 1.930 303 A HA 0.039 4.359 4.320 -0.000 0.000 0.217 303 A C 2.206 179.285 177.584 -0.841 0.000 1.175 303 A CA 2.244 53.597 52.037 -1.141 0.000 0.627 303 A CB -0.305 17.785 19.000 -1.517 0.000 0.815 303 A HN 0.338 nan 8.150 nan 0.000 0.443 304 K N 0.243 120.100 120.400 -0.904 0.000 2.155 304 K HA 0.081 4.401 4.320 -0.000 0.000 0.203 304 K C 1.508 177.806 176.600 -0.503 0.000 1.052 304 K CA 1.105 56.924 56.287 -0.780 0.000 0.948 304 K CB -0.499 31.330 32.500 -1.119 0.000 0.728 304 K HN 0.527 nan 8.250 nan 0.000 0.448 305 I N -0.378 119.876 120.570 -0.527 0.000 2.202 305 I HA -0.256 3.914 4.170 -0.000 0.000 0.242 305 I C 1.941 177.843 176.117 -0.359 0.000 1.091 305 I CA 0.848 61.910 61.300 -0.396 0.000 1.368 305 I CB -0.229 37.549 38.000 -0.371 0.000 1.058 305 I HN -0.086 nan 8.210 nan 0.000 0.410 306 V N 1.043 120.677 119.914 -0.466 0.000 2.261 306 V HA -0.298 3.822 4.120 -0.000 0.000 0.246 306 V C 2.685 178.597 176.094 -0.304 0.000 1.047 306 V CA 2.379 64.328 62.300 -0.585 0.000 1.015 306 V CB -0.877 30.573 31.823 -0.623 0.000 0.642 306 V HN 0.613 nan 8.190 nan 0.000 0.446 307 S N -0.663 114.953 115.700 -0.140 0.000 2.399 307 S HA -0.231 4.239 4.470 -0.000 0.000 0.231 307 S C 1.889 176.429 174.600 -0.100 0.000 1.022 307 S CA 1.953 60.110 58.200 -0.072 0.000 0.983 307 S CB -0.822 62.373 63.200 -0.008 0.000 0.803 307 S HN 0.596 nan 8.310 nan 0.000 0.480 308 T N 2.332 116.805 114.554 -0.135 0.000 2.737 308 T HA -0.007 4.343 4.350 -0.000 0.000 0.265 308 T C 1.937 176.596 174.700 -0.069 0.000 1.038 308 T CA 1.446 63.489 62.100 -0.096 0.000 1.144 308 T CB -0.611 68.189 68.868 -0.113 0.000 0.866 308 T HN 0.300 nan 8.240 nan 0.000 0.434 309 V N 1.438 121.296 119.914 -0.093 0.000 2.295 309 V HA -0.109 4.011 4.120 -0.000 0.000 0.246 309 V C 2.442 178.525 176.094 -0.019 0.000 1.049 309 V CA 1.304 63.577 62.300 -0.045 0.000 1.024 309 V CB -0.630 31.150 31.823 -0.071 0.000 0.648 309 V HN 0.308 nan 8.190 nan 0.000 0.447 310 L N 0.761 121.948 121.223 -0.059 0.000 2.201 310 L HA -0.099 4.241 4.340 -0.000 0.000 0.212 310 L C 2.609 179.479 176.870 0.000 0.000 1.105 310 L CA 2.525 57.352 54.840 -0.020 0.000 0.775 310 L CB -1.284 40.740 42.059 -0.058 0.000 0.913 310 L HN 0.673 nan 8.230 nan 0.000 0.440 311 T N -6.453 108.093 114.554 -0.014 0.000 3.044 311 T HA 0.031 4.381 4.350 -0.000 0.000 0.255 311 T C 0.939 175.643 174.700 0.007 0.000 1.073 311 T CA 0.173 62.270 62.100 -0.004 0.000 1.125 311 T CB -0.402 68.459 68.868 -0.012 0.000 0.908 311 T HN 0.133 nan 8.240 nan 0.000 0.480 312 T N 4.148 118.708 114.554 0.010 0.000 2.782 312 T HA 0.304 4.654 4.350 -0.000 0.000 0.298 312 T C -1.863 172.858 174.700 0.035 0.000 0.944 312 T CA -1.120 60.991 62.100 0.019 0.000 1.001 312 T CB 1.249 70.126 68.868 0.016 0.000 0.932 312 T HN 0.074 nan 8.240 nan 0.000 0.524 313 P HA -0.214 nan 4.420 nan 0.000 0.220 313 P C 1.223 178.552 177.300 0.047 0.000 1.155 313 P CA 1.290 64.414 63.100 0.040 0.000 0.880 313 P CB 0.261 31.977 31.700 0.028 0.000 0.790 314 E N -1.137 119.088 120.200 0.042 0.000 2.028 314 E HA -0.144 4.206 4.350 -0.000 0.000 0.191 314 E C 1.894 178.532 176.600 0.063 0.000 0.988 314 E CA 1.017 57.444 56.400 0.044 0.000 0.799 314 E CB -1.149 28.573 29.700 0.037 0.000 0.755 314 E HN 0.102 nan 8.360 nan 0.000 0.447 315 L N 0.702 121.967 121.223 0.070 0.000 2.017 315 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 315 L C 2.405 179.368 176.870 0.156 0.000 1.073 315 L CA 1.617 56.516 54.840 0.098 0.000 0.745 315 L CB -0.805 41.297 42.059 0.073 0.000 0.894 315 L HN 0.058 nan 8.230 nan 0.000 0.432 316 R N -0.448 120.141 120.500 0.148 0.000 2.091 316 R HA -0.209 4.131 4.340 -0.000 0.000 0.238 316 R C 2.176 178.612 176.300 0.227 0.000 1.136 316 R CA 1.562 57.800 56.100 0.230 0.000 0.959 316 R CB -0.198 30.199 30.300 0.162 0.000 0.856 316 R HN 0.372 nan 8.270 nan 0.000 0.437 317 A N 0.520 123.414 122.820 0.123 0.000 1.902 317 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 317 A C 1.799 179.412 177.584 0.048 0.000 1.181 317 A CA 1.926 54.002 52.037 0.065 0.000 0.623 317 A CB -0.633 18.391 19.000 0.040 0.000 0.818 317 A HN 0.490 nan 8.150 nan 0.000 0.443 318 D N -1.922 118.525 120.400 0.078 0.000 2.144 318 D HA -0.174 4.466 4.640 -0.000 0.000 0.200 318 D C 1.608 177.950 176.300 0.070 0.000 0.978 318 D CA 1.433 55.469 54.000 0.060 0.000 0.833 318 D CB -0.253 40.593 40.800 0.076 0.000 0.961 318 D HN 0.615 nan 8.370 nan 0.000 0.470 319 W N 0.814 122.088 121.300 -0.043 0.000 2.354 319 W HA -0.143 4.517 4.660 -0.000 0.000 0.315 319 W C 2.079 178.514 176.519 -0.140 0.000 1.206 319 W CA 1.477 58.770 57.345 -0.088 0.000 1.290 319 W CB -0.521 28.891 29.460 -0.080 0.000 1.152 319 W HN -0.058 nan 8.180 nan 0.000 0.489 320 M N 0.502 119.899 119.600 -0.337 0.000 2.149 320 M HA -0.217 4.263 4.480 -0.000 0.000 0.261 320 M C 2.276 178.315 176.300 -0.435 0.000 1.064 320 M CA 2.153 57.107 55.300 -0.577 0.000 1.102 320 M CB -0.801 31.647 32.600 -0.254 0.000 1.369 320 M HN 0.207 nan 8.290 nan 0.000 0.408 321 A N -0.387 122.281 122.820 -0.254 0.000 1.897 321 A HA -0.177 4.143 4.320 -0.000 0.000 0.215 321 A C 1.962 179.412 177.584 -0.224 0.000 1.181 321 A CA 1.716 53.636 52.037 -0.195 0.000 0.620 321 A CB -0.623 18.313 19.000 -0.107 0.000 0.821 321 A HN 0.539 nan 8.150 nan 0.000 0.443 322 E N -0.341 119.720 120.200 -0.231 0.000 2.106 322 E HA -0.105 4.245 4.350 -0.000 0.000 0.192 322 E C 1.954 178.348 176.600 -0.344 0.000 0.984 322 E CA 0.710 56.983 56.400 -0.211 0.000 0.806 322 E CB -0.151 29.478 29.700 -0.118 0.000 0.750 322 E HN 0.580 nan 8.360 nan 0.000 0.458 323 L N 0.887 121.783 121.223 -0.546 0.000 2.017 323 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 323 L C 2.562 179.096 176.870 -0.561 0.000 1.073 323 L CA 1.730 56.158 54.840 -0.685 0.000 0.745 323 L CB -0.251 41.206 42.059 -1.003 0.000 0.894 323 L HN 0.197 nan 8.230 nan 0.000 0.432 324 E N 0.271 120.196 120.200 -0.457 0.000 2.118 324 E HA -0.225 4.125 4.350 -0.000 0.000 0.195 324 E C 1.922 178.367 176.600 -0.260 0.000 0.992 324 E CA 1.645 57.847 56.400 -0.330 0.000 0.804 324 E CB -0.124 29.420 29.700 -0.260 0.000 0.741 324 E HN 0.482 nan 8.360 nan 0.000 0.458 325 A N -0.114 122.565 122.820 -0.235 0.000 1.930 325 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 325 A C 2.508 179.986 177.584 -0.177 0.000 1.175 325 A CA 1.505 53.444 52.037 -0.165 0.000 0.627 325 A CB -0.672 18.253 19.000 -0.124 0.000 0.815 325 A HN 0.197 nan 8.150 nan 0.000 0.443 326 V N -0.009 119.737 119.914 -0.280 0.000 2.295 326 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 326 V C 2.654 178.559 176.094 -0.315 0.000 1.049 326 V CA 2.255 64.345 62.300 -0.350 0.000 1.024 326 V CB -0.759 30.669 31.823 -0.658 0.000 0.648 326 V HN 0.642 nan 8.190 nan 0.000 0.447 327 R N 0.064 120.334 120.500 -0.383 0.000 2.070 327 R HA -0.165 4.175 4.340 -0.000 0.000 0.233 327 R C 2.518 178.733 176.300 -0.142 0.000 1.137 327 R CA 2.061 57.993 56.100 -0.280 0.000 0.945 327 R CB -0.379 29.742 30.300 -0.299 0.000 0.845 327 R HN 0.521 nan 8.270 nan 0.000 0.430 328 S N -0.260 115.360 115.700 -0.134 0.000 2.370 328 S HA -0.114 4.356 4.470 -0.000 0.000 0.226 328 S C 1.876 176.448 174.600 -0.048 0.000 1.033 328 S CA 1.202 59.354 58.200 -0.080 0.000 1.011 328 S CB -0.494 62.657 63.200 -0.082 0.000 0.852 328 S HN 0.670 nan 8.310 nan 0.000 0.457 329 G N 1.843 110.616 108.800 -0.045 0.000 2.459 329 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.217 329 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.217 329 G C 1.392 176.307 174.900 0.025 0.000 1.183 329 G CA 0.996 46.097 45.100 0.002 0.000 0.776 329 G HN 0.405 nan 8.290 nan 0.000 0.552 330 M N -0.171 119.449 119.600 0.034 0.000 2.108 330 M HA 0.044 4.523 4.480 -0.000 0.000 0.261 330 M C 2.618 178.937 176.300 0.032 0.000 1.066 330 M CA 0.977 56.311 55.300 0.057 0.000 1.107 330 M CB -0.448 32.199 32.600 0.079 0.000 1.356 330 M HN 0.164 nan 8.290 nan 0.000 0.406 331 L N -0.063 121.167 121.223 0.012 0.000 2.046 331 L HA -0.235 4.105 4.340 -0.000 0.000 0.208 331 L C 2.729 179.602 176.870 0.004 0.000 1.077 331 L CA 1.484 56.329 54.840 0.009 0.000 0.747 331 L CB -0.323 41.734 42.059 -0.004 0.000 0.896 331 L HN 0.293 nan 8.230 nan 0.000 0.432 332 R N -0.727 119.772 120.500 -0.001 0.000 2.096 332 R HA -0.172 4.168 4.340 -0.000 0.000 0.235 332 R C 2.107 178.406 176.300 -0.002 0.000 1.127 332 R CA 0.963 57.060 56.100 -0.004 0.000 0.968 332 R CB -0.250 30.047 30.300 -0.006 0.000 0.861 332 R HN 0.307 nan 8.270 nan 0.000 0.440 333 L N 0.730 121.958 121.223 0.007 0.000 2.046 333 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 333 L C 2.400 179.269 176.870 -0.002 0.000 1.077 333 L CA 1.685 56.528 54.840 0.006 0.000 0.747 333 L CB -0.857 41.214 42.059 0.020 0.000 0.896 333 L HN 0.221 nan 8.230 nan 0.000 0.432 334 R N -0.074 120.429 120.500 0.005 0.000 2.083 334 R HA -0.193 4.147 4.340 -0.000 0.000 0.237 334 R C 2.105 178.389 176.300 -0.027 0.000 1.137 334 R CA 1.473 57.571 56.100 -0.003 0.000 0.951 334 R CB -0.191 30.120 30.300 0.019 0.000 0.851 334 R HN 0.509 nan 8.270 nan 0.000 0.434 335 E N 0.524 120.712 120.200 -0.020 0.000 2.077 335 E HA -0.232 4.118 4.350 -0.000 0.000 0.193 335 E C 2.188 178.767 176.600 -0.035 0.000 0.989 335 E CA 1.133 57.517 56.400 -0.027 0.000 0.800 335 E CB -0.040 29.649 29.700 -0.018 0.000 0.746 335 E HN 0.405 nan 8.360 nan 0.000 0.452 336 Q N 0.367 120.149 119.800 -0.029 0.000 2.020 336 Q HA -0.189 4.151 4.340 -0.000 0.000 0.202 336 Q C 2.395 178.365 176.000 -0.049 0.000 0.982 336 Q CA 1.111 56.894 55.803 -0.033 0.000 0.838 336 Q CB -0.210 28.513 28.738 -0.025 0.000 0.899 336 Q HN 0.178 nan 8.270 nan 0.000 0.423 337 L N 0.757 121.947 121.223 -0.055 0.000 2.012 337 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 337 L C 2.155 178.958 176.870 -0.112 0.000 1.073 337 L CA 2.334 57.124 54.840 -0.083 0.000 0.748 337 L CB -0.891 41.123 42.059 -0.076 0.000 0.891 337 L HN 0.156 nan 8.230 nan 0.000 0.431 338 A N -0.704 122.053 122.820 -0.105 0.000 1.933 338 A HA -0.043 4.277 4.320 -0.000 0.000 0.218 338 A C 2.334 179.871 177.584 -0.079 0.000 1.175 338 A CA 1.509 53.477 52.037 -0.115 0.000 0.628 338 A CB -1.549 17.382 19.000 -0.115 0.000 0.814 338 A HN 0.555 nan 8.150 nan 0.000 0.444 339 G N -0.485 108.278 108.800 -0.062 0.000 2.402 339 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.216 339 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.216 339 G C 1.458 176.328 174.900 -0.050 0.000 1.162 339 G CA 1.294 46.367 45.100 -0.045 0.000 0.777 339 G HN 0.578 nan 8.290 nan 0.000 0.539 340 E N 0.435 120.597 120.200 -0.064 0.000 2.051 340 E HA -0.030 4.319 4.350 -0.000 0.000 0.192 340 E C 2.482 179.027 176.600 -0.092 0.000 0.991 340 E CA 0.727 57.084 56.400 -0.071 0.000 0.799 340 E CB -0.474 29.178 29.700 -0.081 0.000 0.748 340 E HN 0.399 nan 8.360 nan 0.000 0.449 341 L N 0.219 121.363 121.223 -0.132 0.000 2.127 341 L HA -0.161 4.179 4.340 -0.000 0.000 0.211 341 L C 2.833 179.669 176.870 -0.057 0.000 1.089 341 L CA 1.499 56.231 54.840 -0.180 0.000 0.757 341 L CB -0.370 41.499 42.059 -0.316 0.000 0.899 341 L HN 0.165 nan 8.230 nan 0.000 0.434 342 R N 0.032 120.518 120.500 -0.023 0.000 2.075 342 R HA -0.164 4.176 4.340 -0.000 0.000 0.232 342 R C 1.823 178.126 176.300 0.005 0.000 1.126 342 R CA 1.729 57.837 56.100 0.013 0.000 0.963 342 R CB -0.105 30.195 30.300 0.000 0.000 0.858 342 R HN 0.339 nan 8.270 nan 0.000 0.435 343 D N 0.546 120.938 120.400 -0.014 0.000 2.097 343 D HA -0.152 4.488 4.640 -0.000 0.000 0.195 343 D C 1.928 178.222 176.300 -0.010 0.000 0.989 343 D CA 1.029 55.022 54.000 -0.012 0.000 0.827 343 D CB -0.092 40.697 40.800 -0.019 0.000 0.966 343 D HN 0.168 nan 8.370 nan 0.000 0.456 344 L N 1.048 122.256 121.223 -0.024 0.000 2.056 344 L HA -0.106 4.234 4.340 -0.000 0.000 0.207 344 L C 2.528 179.400 176.870 0.003 0.000 1.078 344 L CA 1.282 56.108 54.840 -0.023 0.000 0.749 344 L CB -0.866 41.158 42.059 -0.058 0.000 0.901 344 L HN 0.038 nan 8.230 nan 0.000 0.433 345 S N -1.223 114.493 115.700 0.026 0.000 2.446 345 S HA 0.132 4.602 4.470 -0.000 0.000 0.225 345 S C 1.701 176.336 174.600 0.058 0.000 1.016 345 S CA 0.441 58.687 58.200 0.077 0.000 0.943 345 S CB -0.389 62.918 63.200 0.179 0.000 0.786 345 S HN 0.489 nan 8.310 nan 0.000 0.508 346 G N 1.066 109.890 108.800 0.039 0.000 2.160 346 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.251 346 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.251 346 G C 0.133 175.052 174.900 0.032 0.000 1.008 346 G CA 0.625 45.742 45.100 0.028 0.000 0.724 346 G HN 1.626 nan 8.290 nan 0.000 0.514 347 S N -2.282 113.446 115.700 0.047 0.000 2.705 347 S HA 0.667 5.137 4.470 -0.000 0.000 0.280 347 S C -0.569 174.060 174.600 0.047 0.000 1.174 347 S CA -0.016 58.208 58.200 0.040 0.000 0.823 347 S CB 1.782 65.006 63.200 0.040 0.000 1.162 347 S HN -0.028 nan 8.310 nan 0.000 0.487 348 D N -0.496 119.919 120.400 0.025 0.000 2.559 348 D HA 0.372 5.012 4.640 -0.000 0.000 0.234 348 D C 1.468 177.766 176.300 -0.003 0.000 1.226 348 D CA -0.272 53.739 54.000 0.017 0.000 0.830 348 D CB 0.248 41.050 40.800 0.002 0.000 1.028 348 D HN 0.365 nan 8.370 nan 0.000 0.492 349 R N -0.234 120.251 120.500 -0.025 0.000 2.091 349 R HA -0.087 4.253 4.340 -0.000 0.000 0.238 349 R C 0.691 176.869 176.300 -0.203 0.000 1.136 349 R CA 0.970 56.977 56.100 -0.156 0.000 0.959 349 R CB -0.153 29.953 30.300 -0.323 0.000 0.856 349 R HN 0.258 nan 8.270 nan 0.000 0.437 350 F N -0.072 119.843 119.950 -0.057 0.000 2.676 350 F HA 0.173 4.700 4.527 -0.000 0.000 0.300 350 F C 1.966 177.400 175.800 -0.610 0.000 1.160 350 F CA -0.017 57.738 58.000 -0.408 0.000 1.401 350 F CB 0.002 38.795 39.000 -0.344 0.000 1.037 350 F HN 0.088 nan 8.300 nan 0.000 0.522 351 G N 0.574 109.269 108.800 -0.174 0.000 2.470 351 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.220 351 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.220 351 G C 1.564 176.350 174.900 -0.190 0.000 1.121 351 G CA 0.766 45.780 45.100 -0.142 0.000 0.766 351 G HN 0.519 nan 8.290 nan 0.000 0.553 352 F N 0.875 120.769 119.950 -0.094 0.000 2.202 352 F HA -0.029 4.498 4.527 -0.000 0.000 0.301 352 F C 2.208 177.802 175.800 -0.343 0.000 1.082 352 F CA 0.581 58.451 58.000 -0.217 0.000 1.313 352 F CB -0.962 37.870 39.000 -0.280 0.000 1.024 352 F HN -0.015 nan 8.300 nan 0.000 0.495 353 V N 1.284 120.721 119.914 -0.795 0.000 2.380 353 V HA -0.307 3.813 4.120 -0.000 0.000 0.251 353 V C 2.797 178.817 176.094 -0.125 0.000 1.063 353 V CA 1.984 64.047 62.300 -0.395 0.000 1.055 353 V CB -1.450 30.144 31.823 -0.382 0.000 0.657 353 V HN 0.598 nan 8.190 nan 0.000 0.455 354 A N -1.118 121.629 122.820 -0.121 0.000 2.178 354 A HA -0.016 4.304 4.320 -0.000 0.000 0.211 354 A C 2.065 179.663 177.584 0.023 0.000 1.157 354 A CA 0.769 52.787 52.037 -0.032 0.000 0.780 354 A CB -0.203 18.771 19.000 -0.043 0.000 0.828 354 A HN 0.626 nan 8.150 nan 0.000 0.476 355 E N -0.762 119.460 120.200 0.037 0.000 2.216 355 E HA 0.032 4.382 4.350 -0.000 0.000 0.192 355 E C -0.074 176.661 176.600 0.225 0.000 0.973 355 E CA -0.187 56.278 56.400 0.107 0.000 0.851 355 E CB -0.093 29.671 29.700 0.107 0.000 0.804 355 E HN 0.758 nan 8.360 nan 0.000 0.477 356 H N 0.890 120.057 119.070 0.161 0.000 2.948 356 H HA 0.121 4.677 4.556 -0.000 0.000 0.351 356 H C 0.111 175.516 175.328 0.128 0.000 1.079 356 H CA -0.212 55.944 56.048 0.180 0.000 1.407 356 H CB 0.566 30.471 29.762 0.238 0.000 1.373 356 H HN -0.190 nan 8.280 nan 0.000 0.605 357 R N 1.338 121.973 120.500 0.224 0.000 2.621 357 R HA 0.502 4.842 4.340 -0.000 0.000 0.292 357 R C 0.063 176.420 176.300 0.095 0.000 0.969 357 R CA -0.224 55.963 56.100 0.145 0.000 0.887 357 R CB 1.933 32.314 30.300 0.135 0.000 1.180 357 R HN 1.038 nan 8.270 nan 0.000 0.450 358 G N 0.842 109.674 108.800 0.053 0.000 2.280 358 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.277 358 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.277 358 G C -0.178 174.646 174.900 -0.126 0.000 1.288 358 G CA -0.039 45.019 45.100 -0.070 0.000 1.075 358 G HN 0.502 nan 8.290 nan 0.000 0.480 359 M N -0.879 118.473 119.600 -0.414 0.000 2.491 359 M HA 0.528 5.007 4.480 -0.000 0.000 0.259 359 M C -0.279 175.692 176.300 -0.548 0.000 1.163 359 M CA 0.397 55.389 55.300 -0.513 0.000 1.109 359 M CB 0.347 32.423 32.600 -0.873 0.000 1.353 359 M HN 0.300 nan 8.290 nan 0.000 0.500 360 F N -0.615 119.285 119.950 -0.084 0.000 2.557 360 F HA 0.656 5.183 4.527 -0.000 0.000 0.336 360 F C -0.041 175.780 175.800 0.034 0.000 1.058 360 F CA -1.067 56.919 58.000 -0.024 0.000 0.988 360 F CB 1.757 40.720 39.000 -0.062 0.000 1.275 360 F HN -0.274 nan 8.300 nan 0.000 0.488 361 S N 0.232 116.116 115.700 0.307 0.000 2.543 361 S HA 0.421 4.891 4.470 -0.000 0.000 0.273 361 S C -1.118 173.633 174.600 0.253 0.000 1.152 361 S CA -0.811 57.583 58.200 0.324 0.000 0.910 361 S CB 1.649 65.136 63.200 0.479 0.000 1.105 361 S HN 0.514 nan 8.310 nan 0.000 0.465 362 R N 2.919 123.528 120.500 0.181 0.000 2.207 362 R HA 0.382 4.722 4.340 -0.000 0.000 0.334 362 R C 0.863 177.338 176.300 0.290 0.000 1.013 362 R CA -0.336 55.810 56.100 0.076 0.000 0.858 362 R CB 0.567 30.679 30.300 -0.313 0.000 1.094 362 R HN 0.611 nan 8.270 nan 0.000 0.457 363 L N 1.729 123.122 121.223 0.283 0.000 2.141 363 L HA -0.006 4.333 4.340 -0.000 0.000 0.209 363 L C 1.298 178.340 176.870 0.287 0.000 1.094 363 L CA 1.284 56.359 54.840 0.391 0.000 0.763 363 L CB -0.082 42.164 42.059 0.312 0.000 0.908 363 L HN 1.056 nan 8.230 nan 0.000 0.437 364 G N -0.327 108.595 108.800 0.203 0.000 2.130 364 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.216 364 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.216 364 G C 0.166 175.145 174.900 0.132 0.000 0.999 364 G CA -0.106 45.094 45.100 0.168 0.000 0.686 364 G HN 0.512 nan 8.290 nan 0.000 0.515 365 A N 0.211 123.110 122.820 0.132 0.000 2.302 365 A HA 0.884 5.204 4.320 -0.000 0.000 0.285 365 A C 0.923 178.553 177.584 0.076 0.000 1.105 365 A CA 0.763 52.865 52.037 0.107 0.000 0.816 365 A CB 0.556 19.620 19.000 0.106 0.000 1.067 365 A HN 1.769 nan 8.150 nan 0.000 0.489 366 T N -0.337 114.255 114.554 0.063 0.000 2.849 366 T HA 0.422 4.772 4.350 -0.000 0.000 0.284 366 T C -1.965 172.759 174.700 0.039 0.000 1.004 366 T CA -1.364 60.765 62.100 0.047 0.000 1.021 366 T CB 0.805 69.698 68.868 0.041 0.000 1.013 366 T HN 0.293 nan 8.240 nan 0.000 0.527 367 P HA -0.150 nan 4.420 nan 0.000 0.216 367 P C 1.640 178.953 177.300 0.022 0.000 1.153 367 P CA 0.867 63.980 63.100 0.022 0.000 0.858 367 P CB 0.060 31.771 31.700 0.018 0.000 0.789 368 E N 0.145 120.359 120.200 0.024 0.000 2.058 368 E HA -0.252 4.098 4.350 -0.000 0.000 0.194 368 E C 1.917 178.535 176.600 0.030 0.000 0.997 368 E CA 1.627 58.041 56.400 0.024 0.000 0.801 368 E CB -0.325 29.390 29.700 0.025 0.000 0.746 368 E HN 0.346 nan 8.360 nan 0.000 0.450 369 Q N -0.234 119.589 119.800 0.038 0.000 2.172 369 Q HA -0.070 4.270 4.340 -0.000 0.000 0.200 369 Q C 2.366 178.392 176.000 0.042 0.000 0.964 369 Q CA 1.164 56.996 55.803 0.048 0.000 0.855 369 Q CB 0.138 28.911 28.738 0.059 0.000 0.918 369 Q HN 0.144 nan 8.270 nan 0.000 0.444 370 V N 1.321 121.254 119.914 0.033 0.000 2.343 370 V HA -0.267 3.853 4.120 -0.000 0.000 0.247 370 V C 2.243 178.336 176.094 -0.002 0.000 1.051 370 V CA 1.776 64.088 62.300 0.020 0.000 1.036 370 V CB -0.427 31.408 31.823 0.020 0.000 0.654 370 V HN 0.301 nan 8.190 nan 0.000 0.451 371 K N -0.196 120.204 120.400 -0.001 0.000 2.057 371 K HA -0.153 4.167 4.320 -0.000 0.000 0.206 371 K C 2.440 179.035 176.600 -0.009 0.000 1.050 371 K CA 1.188 57.465 56.287 -0.018 0.000 0.935 371 K CB -0.099 32.398 32.500 -0.005 0.000 0.715 371 K HN 0.284 nan 8.250 nan 0.000 0.439 372 R N 0.445 120.960 120.500 0.025 0.000 2.096 372 R HA -0.089 4.251 4.340 -0.000 0.000 0.235 372 R C 2.309 178.673 176.300 0.106 0.000 1.127 372 R CA 1.340 57.473 56.100 0.055 0.000 0.968 372 R CB -0.315 30.030 30.300 0.075 0.000 0.861 372 R HN 0.309 nan 8.270 nan 0.000 0.440 373 I N 0.716 121.347 120.570 0.103 0.000 2.252 373 I HA -0.296 3.873 4.170 -0.000 0.000 0.245 373 I C 2.681 178.864 176.117 0.110 0.000 1.102 373 I CA 1.236 62.633 61.300 0.162 0.000 1.385 373 I CB -0.282 37.751 38.000 0.055 0.000 1.064 373 I HN 0.162 nan 8.210 nan 0.000 0.414 374 K N 1.401 121.772 120.400 -0.048 0.000 1.985 374 K HA -0.226 4.094 4.320 -0.000 0.000 0.210 374 K C 1.967 178.487 176.600 -0.133 0.000 1.047 374 K CA 1.850 57.998 56.287 -0.232 0.000 0.932 374 K CB -0.074 32.164 32.500 -0.437 0.000 0.716 374 K HN 0.287 nan 8.250 nan 0.000 0.439 375 E N 0.325 120.476 120.200 -0.081 0.000 2.058 375 E HA -0.209 4.141 4.350 -0.000 0.000 0.194 375 E C 2.090 178.654 176.600 -0.060 0.000 0.997 375 E CA 1.824 58.192 56.400 -0.053 0.000 0.801 375 E CB 0.011 29.690 29.700 -0.036 0.000 0.746 375 E HN 0.443 nan 8.360 nan 0.000 0.450 376 E N -0.481 119.684 120.200 -0.059 0.000 2.076 376 E HA -0.061 4.289 4.350 -0.000 0.000 0.190 376 E C 1.395 177.730 176.600 -0.443 0.000 0.979 376 E CA 0.738 56.992 56.400 -0.244 0.000 0.807 376 E CB 0.094 29.637 29.700 -0.262 0.000 0.761 376 E HN 0.216 nan 8.360 nan 0.000 0.454 377 F N -0.787 119.157 119.950 -0.010 0.000 2.678 377 F HA 0.317 4.844 4.527 -0.000 0.000 0.305 377 F C 1.386 177.204 175.800 0.031 0.000 1.090 377 F CA 0.296 58.301 58.000 0.007 0.000 1.272 377 F CB 1.128 40.131 39.000 0.005 0.000 1.060 377 F HN 0.033 nan 8.300 nan 0.000 0.576 378 G N 1.717 110.605 108.800 0.146 0.000 2.179 378 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.257 378 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.257 378 G C 0.129 175.200 174.900 0.285 0.000 1.010 378 G CA 0.035 45.245 45.100 0.182 0.000 0.736 378 G HN 0.349 nan 8.290 nan 0.000 0.513 379 I N 0.381 121.069 120.570 0.196 0.000 2.321 379 I HA 0.424 4.594 4.170 -0.000 0.000 0.291 379 I C -0.017 176.185 176.117 0.143 0.000 0.998 379 I CA -1.056 60.373 61.300 0.215 0.000 1.227 379 I CB 0.755 38.835 38.000 0.132 0.000 1.368 379 I HN -0.010 nan 8.210 nan 0.000 0.466 380 Y N 7.131 127.500 120.300 0.114 0.000 2.361 380 Y HA 0.663 5.213 4.550 -0.000 0.000 0.332 380 Y C 0.397 176.308 175.900 0.018 0.000 1.101 380 Y CA -0.698 57.448 58.100 0.076 0.000 1.137 380 Y CB 1.588 40.104 38.460 0.093 0.000 1.207 380 Y HN 0.498 nan 8.280 nan 0.000 0.463 381 M N -0.404 119.283 119.600 0.144 0.000 2.813 381 M HA 0.700 5.180 4.480 -0.000 0.000 0.270 381 M C -1.772 174.565 176.300 0.063 0.000 1.267 381 M CA -1.249 54.102 55.300 0.085 0.000 0.822 381 M CB 1.264 33.905 32.600 0.068 0.000 1.671 381 M HN 0.130 nan 8.290 nan 0.000 0.468 382 V N 1.788 121.722 119.914 0.033 0.000 2.843 382 V HA 0.217 4.337 4.120 -0.000 0.000 0.305 382 V C 1.607 177.708 176.094 0.011 0.000 1.065 382 V CA 0.860 63.165 62.300 0.009 0.000 1.116 382 V CB 0.860 32.663 31.823 -0.033 0.000 0.968 382 V HN 1.101 nan 8.190 nan 0.000 0.487 383 G N 2.438 111.242 108.800 0.008 0.000 2.499 383 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.221 383 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.221 383 G C 0.880 175.783 174.900 0.006 0.000 1.109 383 G CA 0.911 46.017 45.100 0.009 0.000 0.749 383 G HN 0.964 nan 8.290 nan 0.000 0.568 384 D N -0.410 119.986 120.400 -0.007 0.000 2.328 384 D HA 0.007 4.647 4.640 -0.000 0.000 0.221 384 D C 1.322 177.622 176.300 -0.001 0.000 1.072 384 D CA 0.895 54.888 54.000 -0.012 0.000 0.850 384 D CB -0.534 40.242 40.800 -0.040 0.000 0.922 384 D HN 0.549 nan 8.370 nan 0.000 0.516 385 S N -1.159 114.552 115.700 0.018 0.000 3.593 385 S HA -0.288 4.182 4.470 -0.000 0.000 0.301 385 S C 0.227 174.860 174.600 0.055 0.000 1.209 385 S CA 0.284 58.512 58.200 0.048 0.000 0.878 385 S CB -2.595 60.651 63.200 0.076 0.000 1.000 385 S HN 0.668 nan 8.310 nan 0.000 0.578 386 R N 1.526 122.038 120.500 0.020 0.000 2.298 386 R HA 0.651 4.991 4.340 -0.000 0.000 0.310 386 R C 0.579 176.930 176.300 0.086 0.000 1.068 386 R CA -0.181 55.935 56.100 0.026 0.000 0.957 386 R CB 0.243 30.497 30.300 -0.077 0.000 1.003 386 R HN 0.724 nan 8.270 nan 0.000 0.454 387 I N 0.902 121.568 120.570 0.160 0.000 2.693 387 I HA 0.441 4.611 4.170 -0.000 0.000 0.303 387 I C -0.710 175.570 176.117 0.272 0.000 1.025 387 I CA -1.143 60.263 61.300 0.176 0.000 1.086 387 I CB 2.005 40.089 38.000 0.140 0.000 1.268 387 I HN 0.414 nan 8.210 nan 0.000 0.440 388 N N 4.773 123.608 118.700 0.225 0.000 2.457 388 N HA 0.283 5.023 4.740 -0.000 0.000 0.250 388 N C 0.711 176.265 175.510 0.073 0.000 0.982 388 N CA -0.511 52.648 53.050 0.182 0.000 0.941 388 N CB 1.278 39.870 38.487 0.175 0.000 1.120 388 N HN 0.696 nan 8.380 nan 0.000 0.505 389 I N 2.526 123.123 120.570 0.044 0.000 2.335 389 I HA -0.223 3.947 4.170 -0.000 0.000 0.251 389 I C 2.064 178.204 176.117 0.038 0.000 1.129 389 I CA 0.902 62.229 61.300 0.045 0.000 1.402 389 I CB -1.430 36.599 38.000 0.049 0.000 1.069 389 I HN 0.581 nan 8.210 nan 0.000 0.424 390 A N 0.650 123.492 122.820 0.037 0.000 2.070 390 A HA -0.044 4.276 4.320 -0.000 0.000 0.220 390 A C 2.341 179.891 177.584 -0.056 0.000 1.159 390 A CA 1.537 53.585 52.037 0.019 0.000 0.656 390 A CB -1.058 17.958 19.000 0.027 0.000 0.800 390 A HN 0.453 nan 8.150 nan 0.000 0.453 391 G N -1.323 107.459 108.800 -0.031 0.000 2.920 391 G HA2 0.370 4.330 3.960 -0.000 0.000 0.208 391 G HA3 0.370 4.330 3.960 -0.000 0.000 0.208 391 G C 0.277 175.164 174.900 -0.022 0.000 1.159 391 G CA -0.023 45.052 45.100 -0.041 0.000 0.784 391 G HN 0.296 nan 8.290 nan 0.000 0.535 392 L N 1.096 122.314 121.223 -0.007 0.000 2.375 392 L HA 0.549 4.889 4.340 -0.000 0.000 0.268 392 L C -0.040 176.827 176.870 -0.007 0.000 1.058 392 L CA -0.730 54.109 54.840 -0.002 0.000 0.803 392 L CB 1.630 43.691 42.059 0.003 0.000 1.212 392 L HN 0.397 nan 8.230 nan 0.000 0.451 393 N N -2.073 116.624 118.700 -0.006 0.000 3.020 393 N HA 0.227 4.967 4.740 -0.000 0.000 0.248 393 N C -0.221 175.286 175.510 -0.005 0.000 1.480 393 N CA -0.759 52.288 53.050 -0.006 0.000 0.874 393 N CB 0.233 38.714 38.487 -0.009 0.000 1.433 393 N HN 0.317 nan 8.380 nan 0.000 0.530 394 D N -0.862 119.535 120.400 -0.005 0.000 2.271 394 D HA -0.100 4.540 4.640 -0.000 0.000 0.207 394 D C 0.633 176.930 176.300 -0.004 0.000 0.983 394 D CA 1.213 55.210 54.000 -0.006 0.000 0.878 394 D CB -0.030 40.768 40.800 -0.004 0.000 0.920 394 D HN 0.415 nan 8.370 nan 0.000 0.479 395 N N -1.103 117.597 118.700 -0.000 0.000 2.402 395 N HA -0.031 4.709 4.740 -0.000 0.000 0.174 395 N C 1.743 177.258 175.510 0.008 0.000 1.027 395 N CA 1.221 54.274 53.050 0.005 0.000 0.891 395 N CB 0.034 38.526 38.487 0.008 0.000 1.016 395 N HN 0.312 nan 8.380 nan 0.000 0.439 396 T N -1.070 113.488 114.554 0.007 0.000 3.054 396 T HA 0.213 4.563 4.350 -0.000 0.000 0.259 396 T C 2.112 176.809 174.700 -0.005 0.000 1.092 396 T CA 0.086 62.193 62.100 0.011 0.000 1.121 396 T CB -0.153 68.726 68.868 0.018 0.000 0.912 396 T HN 0.005 nan 8.240 nan 0.000 0.489 397 I N 2.175 122.736 120.570 -0.016 0.000 2.163 397 I HA -0.081 4.089 4.170 -0.000 0.000 0.243 397 I C -0.588 175.497 176.117 -0.052 0.000 1.085 397 I CA 1.307 62.586 61.300 -0.035 0.000 1.347 397 I CB -1.011 36.969 38.000 -0.035 0.000 1.044 397 I HN 0.210 nan 8.210 nan 0.000 0.408 398 P HA -0.145 nan 4.420 nan 0.000 0.216 398 P C 1.797 179.067 177.300 -0.050 0.000 1.150 398 P CA 1.516 64.591 63.100 -0.043 0.000 0.837 398 P CB 0.007 31.695 31.700 -0.020 0.000 0.786 399 I N -1.356 119.198 120.570 -0.026 0.000 2.252 399 I HA -0.191 3.979 4.170 -0.000 0.000 0.245 399 I C 2.390 178.447 176.117 -0.100 0.000 1.102 399 I CA 1.134 62.426 61.300 -0.014 0.000 1.385 399 I CB -0.582 37.445 38.000 0.045 0.000 1.064 399 I HN -0.050 nan 8.210 nan 0.000 0.414 400 L N 0.797 121.964 121.223 -0.093 0.000 2.056 400 L HA -0.189 4.151 4.340 -0.000 0.000 0.207 400 L C 2.782 179.523 176.870 -0.215 0.000 1.078 400 L CA 1.771 56.529 54.840 -0.136 0.000 0.749 400 L CB -0.483 41.528 42.059 -0.080 0.000 0.901 400 L HN 0.248 nan 8.230 nan 0.000 0.433 401 A N 0.286 122.989 122.820 -0.196 0.000 1.865 401 A HA -0.259 4.061 4.320 -0.000 0.000 0.217 401 A C 2.263 179.685 177.584 -0.269 0.000 1.191 401 A CA 1.777 53.668 52.037 -0.244 0.000 0.623 401 A CB -0.556 18.334 19.000 -0.183 0.000 0.826 401 A HN 0.423 nan 8.150 nan 0.000 0.444 402 R N -0.609 119.753 120.500 -0.230 0.000 2.081 402 R HA -0.071 4.268 4.340 -0.000 0.000 0.235 402 R C 2.517 178.539 176.300 -0.463 0.000 1.131 402 R CA 1.182 57.140 56.100 -0.237 0.000 0.960 402 R CB -0.536 29.695 30.300 -0.114 0.000 0.856 402 R HN 0.525 nan 8.270 nan 0.000 0.436 403 A N 1.502 123.859 122.820 -0.772 0.000 1.883 403 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 403 A C 2.180 179.411 177.584 -0.588 0.000 1.186 403 A CA 1.434 52.694 52.037 -1.296 0.000 0.624 403 A CB -0.600 17.793 19.000 -1.013 0.000 0.822 403 A HN 0.196 nan 8.150 nan 0.000 0.444 404 I N -0.110 120.236 120.570 -0.374 0.000 2.127 404 I HA -0.258 3.912 4.170 -0.000 0.000 0.241 404 I C 2.286 178.316 176.117 -0.145 0.000 1.075 404 I CA 1.113 62.278 61.300 -0.224 0.000 1.334 404 I CB -0.348 37.464 38.000 -0.315 0.000 1.040 404 I HN 0.273 nan 8.210 nan 0.000 0.405 405 I N 0.574 121.032 120.570 -0.188 0.000 2.179 405 I HA -0.270 3.900 4.170 -0.000 0.000 0.242 405 I C 2.561 178.667 176.117 -0.018 0.000 1.088 405 I CA 1.601 62.860 61.300 -0.070 0.000 1.357 405 I CB -1.282 36.668 38.000 -0.083 0.000 1.051 405 I HN 0.270 nan 8.210 nan 0.000 0.409 406 E N 1.014 121.184 120.200 -0.052 0.000 2.118 406 E HA -0.150 4.199 4.350 -0.000 0.000 0.195 406 E C 1.979 178.627 176.600 0.080 0.000 0.992 406 E CA 1.005 57.434 56.400 0.048 0.000 0.804 406 E CB -0.018 29.775 29.700 0.156 0.000 0.741 406 E HN 0.291 nan 8.360 nan 0.000 0.458 407 V N -0.548 119.395 119.914 0.050 0.000 3.461 407 V HA 0.158 4.278 4.120 -0.000 0.000 0.267 407 V C 1.252 177.389 176.094 0.072 0.000 1.186 407 V CA 0.650 62.996 62.300 0.077 0.000 1.154 407 V CB -0.521 31.345 31.823 0.072 0.000 0.802 407 V HN 0.466 nan 8.190 nan 0.000 0.474 408 G N 0.846 109.691 108.800 0.074 0.000 2.289 408 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.280 408 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.280 408 G C 0.031 175.003 174.900 0.121 0.000 1.089 408 G CA 0.253 45.409 45.100 0.094 0.000 0.939 408 G HN 0.331 nan 8.290 nan 0.000 0.499 409 V N 0.000 120.019 119.914 0.175 0.000 2.409 409 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 409 V CA 0.000 62.435 62.300 0.226 0.000 1.235 409 V CB 0.000 31.997 31.823 0.291 0.000 1.184 409 V HN 0.000 nan 8.190 nan 0.000 0.556