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 3fv9_1_B DATA FIRST_RESID 1 DATA SEQUENCE LKITRIDIHR TDLPVRGGXX XXXXXXEYHS YDATIVSIET DTGLTGWGES DATA SEQUENCE TPFGSTYIAA HAGGTRAALE LLAPAILGMD PRQHDRIWDR MRDTLKGHRD DATA SEQUENCE ARAALDIACW DIAAQAAGLP LCDMTGGRVA GPVPVISSIG GDTPEAMRAK DATA SEQUENCE VARHRAQGFK GHSIKIGASE AEGGPALDAE RITACLADRQ PGEWYLADAN DATA SEQUENCE NGLTVEHALR MLSLLPPGLD IVLEAPCASW AETKSLRARC ALPLLLDELI DATA SEQUENCE QTETDLIAAI RDDLCDGVGL KVSKQGGITP MLRQRAIAAA AGMVMSVQDT DATA SEQUENCE VGSQISFAAI LHLAQSTPRH LLRCALDTRA MTTAELAEID APLRDGGASA DATA SEQUENCE PSDPGLGLRV NRDALGTPVK TFG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.849 176.870 -0.036 0.000 1.165 1 L CA 0.000 54.820 54.840 -0.033 0.000 0.813 1 L CB 0.000 42.036 42.059 -0.039 0.000 0.961 2 K N 4.686 125.067 120.400 -0.032 0.000 2.525 2 K HA 0.596 4.916 4.320 0.000 0.000 0.254 2 K C -1.289 175.293 176.600 -0.031 0.000 0.934 2 K CA -0.669 55.600 56.287 -0.031 0.000 0.802 2 K CB 1.683 34.168 32.500 -0.025 0.000 1.295 2 K HN 0.647 nan 8.250 nan 0.000 0.433 3 I N 3.704 124.254 120.570 -0.033 0.000 2.533 3 I HA -0.001 4.169 4.170 0.000 0.000 0.284 3 I C 1.387 177.490 176.117 -0.023 0.000 1.109 3 I CA 0.302 61.583 61.300 -0.032 0.000 1.412 3 I CB 1.211 39.191 38.000 -0.033 0.000 1.396 3 I HN 0.812 nan 8.210 nan 0.000 0.543 4 T N 2.590 117.132 114.554 -0.021 0.000 2.964 4 T HA 0.219 4.569 4.350 0.000 0.000 0.249 4 T C 0.673 175.371 174.700 -0.002 0.000 1.000 4 T CA -0.252 61.842 62.100 -0.011 0.000 0.992 4 T CB 0.414 69.274 68.868 -0.012 0.000 1.087 4 T HN 0.542 nan 8.240 nan 0.000 0.489 5 R N 0.212 120.707 120.500 -0.009 0.000 2.584 5 R HA 0.690 5.030 4.340 0.000 0.000 0.276 5 R C -2.066 174.231 176.300 -0.005 0.000 1.046 5 R CA -0.801 55.300 56.100 0.001 0.000 0.906 5 R CB 1.682 31.974 30.300 -0.013 0.000 1.215 5 R HN 0.267 nan 8.270 nan 0.000 0.449 6 I N 3.136 123.730 120.570 0.040 0.000 2.466 6 I HA 0.317 4.487 4.170 0.000 0.000 0.289 6 I C -0.970 175.174 176.117 0.046 0.000 1.026 6 I CA -0.881 60.443 61.300 0.041 0.000 1.078 6 I CB 2.189 40.239 38.000 0.084 0.000 1.249 6 I HN 0.415 nan 8.210 nan 0.000 0.429 7 D N 6.901 127.287 120.400 -0.024 0.000 2.278 7 D HA 0.455 5.096 4.640 0.000 0.000 0.245 7 D C -0.478 175.746 176.300 -0.126 0.000 1.052 7 D CA -0.245 53.688 54.000 -0.111 0.000 0.834 7 D CB 2.569 43.283 40.800 -0.143 0.000 1.194 7 D HN 0.138 nan 8.370 nan 0.000 0.481 8 I N 3.035 123.501 120.570 -0.173 0.000 2.339 8 I HA 0.217 4.387 4.170 0.000 0.000 0.290 8 I C 0.398 176.393 176.117 -0.202 0.000 0.994 8 I CA -0.449 60.811 61.300 -0.066 0.000 1.191 8 I CB 0.750 38.779 38.000 0.049 0.000 1.343 8 I HN 0.223 nan 8.210 nan 0.000 0.458 9 H N 5.533 124.672 119.070 0.114 0.000 2.569 9 H HA 0.530 5.087 4.556 0.000 0.000 0.357 9 H C -0.469 174.917 175.328 0.096 0.000 1.153 9 H CA -0.832 55.282 56.048 0.111 0.000 1.193 9 H CB 2.963 32.818 29.762 0.154 0.000 1.602 9 H HN 0.455 nan 8.280 nan 0.000 0.523 10 R N 1.461 122.076 120.500 0.192 0.000 2.480 10 R HA 0.386 4.726 4.340 0.000 0.000 0.306 10 R C -1.351 175.020 176.300 0.118 0.000 0.958 10 R CA -0.372 55.808 56.100 0.133 0.000 0.861 10 R CB 1.839 32.193 30.300 0.091 0.000 1.171 10 R HN 0.689 nan 8.270 nan 0.000 0.445 11 T N 2.115 116.731 114.554 0.103 0.000 2.916 11 T HA 0.158 4.509 4.350 0.000 0.000 0.305 11 T C -1.582 173.161 174.700 0.073 0.000 1.119 11 T CA -0.637 61.511 62.100 0.080 0.000 1.008 11 T CB 1.592 70.501 68.868 0.069 0.000 1.129 11 T HN 0.713 nan 8.240 nan 0.000 0.480 12 D N 2.477 122.912 120.400 0.059 0.000 2.308 12 D HA 0.446 5.087 4.640 0.000 0.000 0.251 12 D C -0.451 175.885 176.300 0.060 0.000 1.127 12 D CA -0.233 53.800 54.000 0.055 0.000 0.876 12 D CB 0.530 41.352 40.800 0.037 0.000 1.176 12 D HN 0.339 nan 8.370 nan 0.000 0.446 13 L N 5.680 126.954 121.223 0.085 0.000 2.301 13 L HA 0.430 4.770 4.340 0.000 0.000 0.278 13 L C -2.217 174.709 176.870 0.092 0.000 1.022 13 L CA -2.102 52.802 54.840 0.107 0.000 0.854 13 L CB 1.399 43.559 42.059 0.167 0.000 1.226 13 L HN 0.288 nan 8.230 nan 0.000 0.429 14 P HA 0.053 nan 4.420 nan 0.000 0.271 14 P C -0.071 177.253 177.300 0.039 0.000 1.216 14 P CA -0.245 62.866 63.100 0.018 0.000 0.776 14 P CB 0.837 32.551 31.700 0.022 0.000 0.881 15 V N 3.999 123.905 119.914 -0.013 0.000 2.655 15 V HA 0.021 4.142 4.120 0.000 0.000 0.300 15 V C 1.147 177.273 176.094 0.052 0.000 1.044 15 V CA 0.266 62.588 62.300 0.037 0.000 1.095 15 V CB -0.127 31.666 31.823 -0.049 0.000 0.952 15 V HN 0.479 nan 8.190 nan 0.000 0.485 16 R N 3.185 123.730 120.500 0.075 0.000 2.229 16 R HA 0.542 4.882 4.340 0.000 0.000 0.328 16 R C 0.775 177.100 176.300 0.041 0.000 1.009 16 R CA 0.777 56.904 56.100 0.045 0.000 0.864 16 R CB 0.587 30.907 30.300 0.033 0.000 1.085 16 R HN 1.075 nan 8.270 nan 0.000 0.453 17 G N 2.990 111.808 108.800 0.030 0.000 2.527 17 G HA2 -0.318 3.643 3.960 0.000 0.000 0.268 17 G HA3 -0.318 3.643 3.960 0.000 0.000 0.268 17 G C 0.296 175.209 174.900 0.022 0.000 1.175 17 G CA -0.419 44.699 45.100 0.029 0.000 0.962 17 G HN 0.926 nan 8.290 nan 0.000 0.560 28 Y N 1.672 121.893 120.300 -0.131 0.000 2.320 28 Y HA 0.367 4.917 4.550 0.000 0.000 0.334 28 Y C 1.228 176.911 175.900 -0.361 0.000 1.055 28 Y CA -0.629 57.333 58.100 -0.229 0.000 1.143 28 Y CB 0.883 39.097 38.460 -0.410 0.000 1.193 28 Y HN 0.615 nan 8.280 nan 0.000 0.477 29 H N 0.938 119.924 119.070 -0.140 0.000 2.648 29 H HA 0.207 4.763 4.556 0.000 0.000 0.265 29 H C 0.051 175.241 175.328 -0.231 0.000 0.961 29 H CA 0.510 56.468 56.048 -0.151 0.000 1.185 29 H CB 0.852 30.559 29.762 -0.091 0.000 1.449 29 H HN 0.639 nan 8.280 nan 0.000 0.523 30 S N -0.405 115.144 115.700 -0.251 0.000 2.588 30 S HA 0.461 4.931 4.470 0.000 0.000 0.269 30 S C -1.623 172.659 174.600 -0.529 0.000 1.157 30 S CA -0.946 57.046 58.200 -0.347 0.000 0.824 30 S CB 1.742 64.882 63.200 -0.100 0.000 1.126 30 S HN 0.096 nan 8.310 nan 0.000 0.464 31 Y N 0.388 120.671 120.300 -0.029 0.000 2.429 31 Y HA 0.569 5.119 4.550 0.000 0.000 0.342 31 Y C -0.126 175.763 175.900 -0.019 0.000 1.004 31 Y CA -0.792 57.265 58.100 -0.071 0.000 1.075 31 Y CB 1.252 39.644 38.460 -0.115 0.000 1.214 31 Y HN 0.726 nan 8.280 nan 0.000 0.455 32 D N 2.291 122.773 120.400 0.136 0.000 2.347 32 D HA 0.466 5.106 4.640 0.000 0.000 0.235 32 D C -0.848 175.515 176.300 0.104 0.000 1.149 32 D CA -0.005 54.056 54.000 0.101 0.000 0.850 32 D CB 0.745 41.597 40.800 0.087 0.000 1.061 32 D HN 0.672 nan 8.370 nan 0.000 0.487 33 A N 3.229 126.110 122.820 0.100 0.000 2.324 33 A HA 0.647 4.967 4.320 0.000 0.000 0.330 33 A C -0.083 177.564 177.584 0.104 0.000 1.165 33 A CA -0.599 51.496 52.037 0.097 0.000 0.813 33 A CB 1.135 20.191 19.000 0.093 0.000 1.197 33 A HN 0.474 nan 8.150 nan 0.000 0.484 34 T N 2.264 116.883 114.554 0.109 0.000 2.779 34 T HA 0.574 4.924 4.350 0.000 0.000 0.280 34 T C -0.691 174.106 174.700 0.162 0.000 0.987 34 T CA 0.125 62.303 62.100 0.130 0.000 0.966 34 T CB 0.401 69.332 68.868 0.107 0.000 0.933 34 T HN 0.386 nan 8.240 nan 0.000 0.442 35 I N 3.149 123.853 120.570 0.224 0.000 2.465 35 I HA 0.482 4.652 4.170 0.000 0.000 0.291 35 I C -0.529 175.831 176.117 0.406 0.000 1.014 35 I CA -0.724 60.745 61.300 0.281 0.000 1.093 35 I CB 2.091 40.230 38.000 0.232 0.000 1.267 35 I HN 0.316 nan 8.210 nan 0.000 0.431 36 V N 4.767 124.888 119.914 0.346 0.000 2.495 36 V HA 0.610 4.730 4.120 0.000 0.000 0.298 36 V C -0.134 176.025 176.094 0.108 0.000 1.031 36 V CA -0.603 61.848 62.300 0.252 0.000 0.871 36 V CB 1.903 33.811 31.823 0.143 0.000 0.988 36 V HN 0.831 nan 8.190 nan 0.000 0.432 37 S N 5.516 121.137 115.700 -0.131 0.000 2.509 37 S HA 0.824 5.294 4.470 0.000 0.000 0.297 37 S C -0.788 173.603 174.600 -0.349 0.000 1.118 37 S CA -0.697 57.089 58.200 -0.691 0.000 1.074 37 S CB 1.621 64.027 63.200 -1.323 0.000 1.038 37 S HN 0.504 nan 8.310 nan 0.000 0.498 38 I N 1.794 122.150 120.570 -0.356 0.000 2.466 38 I HA 0.396 4.566 4.170 0.000 0.000 0.289 38 I C -0.173 175.835 176.117 -0.181 0.000 1.026 38 I CA -0.484 60.705 61.300 -0.185 0.000 1.078 38 I CB 1.972 39.909 38.000 -0.105 0.000 1.249 38 I HN 0.708 nan 8.210 nan 0.000 0.429 39 E N 3.875 124.003 120.200 -0.120 0.000 2.214 39 E HA 0.490 4.840 4.350 0.000 0.000 0.274 39 E C -0.485 176.082 176.600 -0.055 0.000 0.977 39 E CA -0.648 55.700 56.400 -0.086 0.000 0.827 39 E CB 2.256 31.918 29.700 -0.064 0.000 1.130 39 E HN 0.636 nan 8.360 nan 0.000 0.394 40 T N -2.029 112.499 114.554 -0.043 0.000 2.949 40 T HA 0.123 4.473 4.350 0.000 0.000 0.287 40 T C 0.807 175.494 174.700 -0.023 0.000 1.034 40 T CA -0.803 61.277 62.100 -0.032 0.000 1.018 40 T CB 1.153 70.002 68.868 -0.031 0.000 1.135 40 T HN 0.501 nan 8.240 nan 0.000 0.532 41 D N 0.203 120.591 120.400 -0.020 0.000 2.264 41 D HA -0.131 4.509 4.640 0.000 0.000 0.208 41 D C 1.651 177.944 176.300 -0.011 0.000 0.966 41 D CA 1.505 55.497 54.000 -0.015 0.000 0.864 41 D CB -0.852 39.939 40.800 -0.015 0.000 0.933 41 D HN 0.728 nan 8.370 nan 0.000 0.499 42 T N -4.351 110.196 114.554 -0.012 0.000 3.107 42 T HA 0.410 4.761 4.350 0.000 0.000 0.249 42 T C 1.630 176.328 174.700 -0.004 0.000 1.096 42 T CA 0.283 62.378 62.100 -0.008 0.000 1.012 42 T CB 0.024 68.886 68.868 -0.010 0.000 0.977 42 T HN 0.371 nan 8.240 nan 0.000 0.527 43 G N 1.216 110.013 108.800 -0.005 0.000 2.132 43 G HA2 -0.187 3.773 3.960 0.000 0.000 0.228 43 G HA3 -0.187 3.773 3.960 0.000 0.000 0.228 43 G C -0.140 174.762 174.900 0.004 0.000 1.000 43 G CA -0.076 45.025 45.100 0.001 0.000 0.693 43 G HN 0.608 nan 8.290 nan 0.000 0.515 44 L N 0.787 122.007 121.223 -0.004 0.000 2.375 44 L HA 0.604 4.945 4.340 0.000 0.000 0.271 44 L C 0.507 177.364 176.870 -0.022 0.000 1.107 44 L CA -0.208 54.631 54.840 -0.001 0.000 0.806 44 L CB 1.424 43.481 42.059 -0.005 0.000 1.146 44 L HN 0.141 nan 8.230 nan 0.000 0.447 45 T N 1.214 115.760 114.554 -0.013 0.000 2.824 45 T HA 0.577 4.927 4.350 0.000 0.000 0.282 45 T C 0.042 174.683 174.700 -0.098 0.000 0.993 45 T CA -0.592 61.451 62.100 -0.095 0.000 0.967 45 T CB 1.792 70.616 68.868 -0.074 0.000 0.960 45 T HN 0.749 nan 8.240 nan 0.000 0.441 46 G N 1.312 109.983 108.800 -0.216 0.000 2.453 46 G HA2 0.661 4.622 3.960 0.000 0.000 0.323 46 G HA3 0.661 4.622 3.960 0.000 0.000 0.323 46 G C -1.798 172.913 174.900 -0.314 0.000 1.198 46 G CA -0.798 44.231 45.100 -0.119 0.000 0.959 46 G HN 0.628 nan 8.290 nan 0.000 0.482 47 W N -0.244 121.094 121.300 0.063 0.000 2.761 47 W HA 0.699 5.359 4.660 0.000 0.000 0.340 47 W C 0.269 176.832 176.519 0.074 0.000 1.072 47 W CA -0.516 56.868 57.345 0.065 0.000 1.215 47 W CB 2.996 32.483 29.460 0.045 0.000 1.420 47 W HN 0.839 nan 8.180 nan 0.000 0.519 48 G N 1.048 110.046 108.800 0.331 0.000 2.733 48 G HA2 0.518 4.479 3.960 0.000 0.000 0.297 48 G HA3 0.518 4.479 3.960 0.000 0.000 0.297 48 G C -2.193 172.837 174.900 0.217 0.000 1.422 48 G CA -0.730 44.508 45.100 0.230 0.000 0.942 48 G HN 0.387 nan 8.290 nan 0.000 0.510 49 E N -0.013 120.286 120.200 0.166 0.000 2.238 49 E HA 0.649 4.999 4.350 0.000 0.000 0.267 49 E C -1.231 175.439 176.600 0.116 0.000 0.887 49 E CA -0.746 55.739 56.400 0.142 0.000 0.769 49 E CB 1.996 31.766 29.700 0.116 0.000 1.187 49 E HN 0.349 nan 8.360 nan 0.000 0.416 50 S N 2.560 118.326 115.700 0.110 0.000 2.779 50 S HA 0.394 4.864 4.470 0.000 0.000 0.293 50 S C -1.450 173.200 174.600 0.084 0.000 1.150 50 S CA -0.461 57.797 58.200 0.095 0.000 1.057 50 S CB 1.257 64.517 63.200 0.099 0.000 1.021 50 S HN 0.444 nan 8.310 nan 0.000 0.485 51 T N 6.956 121.551 114.554 0.069 0.000 2.991 51 T HA 0.415 4.766 4.350 0.000 0.000 0.347 51 T C -2.868 171.863 174.700 0.052 0.000 1.122 51 T CA -1.050 61.083 62.100 0.056 0.000 1.062 51 T CB 1.385 70.272 68.868 0.033 0.000 1.043 51 T HN 0.320 nan 8.240 nan 0.000 0.491 52 P HA 0.107 nan 4.420 nan 0.000 0.266 52 P C -0.491 176.859 177.300 0.084 0.000 1.195 52 P CA -0.445 62.728 63.100 0.122 0.000 0.768 52 P CB 0.315 32.098 31.700 0.139 0.000 0.838 53 F N 4.052 123.970 119.950 -0.053 0.000 2.494 53 F HA 0.376 4.903 4.527 0.000 0.000 0.351 53 F C 1.292 177.022 175.800 -0.117 0.000 1.205 53 F CA 0.978 58.858 58.000 -0.201 0.000 1.125 53 F CB -0.884 37.881 39.000 -0.392 0.000 1.268 53 F HN 0.644 nan 8.300 nan 0.000 0.593 54 G N 3.875 112.445 108.800 -0.383 0.000 2.574 54 G HA2 -0.313 3.648 3.960 0.000 0.000 0.282 54 G HA3 -0.313 3.648 3.960 0.000 0.000 0.282 54 G C 0.561 175.550 174.900 0.148 0.000 1.257 54 G CA 0.251 45.281 45.100 -0.117 0.000 0.956 54 G HN 1.374 nan 8.290 nan 0.000 0.560 55 S N -2.263 113.574 115.700 0.229 0.000 2.780 55 S HA 0.436 4.907 4.470 0.000 0.000 0.248 55 S C 1.119 175.832 174.600 0.188 0.000 1.036 55 S CA 1.146 59.469 58.200 0.205 0.000 1.061 55 S CB 0.506 63.788 63.200 0.135 0.000 1.037 55 S HN 2.035 nan 8.310 nan 0.000 0.584 56 T N -2.613 112.093 114.554 0.253 0.000 3.111 56 T HA 0.252 4.602 4.350 0.000 0.000 0.284 56 T C 0.902 175.758 174.700 0.261 0.000 0.983 56 T CA -0.265 61.965 62.100 0.216 0.000 0.900 56 T CB -0.460 68.525 68.868 0.194 0.000 1.132 56 T HN 0.232 nan 8.240 nan 0.000 0.531 57 Y N 3.521 123.941 120.300 0.199 0.000 2.109 57 Y HA 0.346 4.897 4.550 0.000 0.000 0.285 57 Y C 0.611 176.572 175.900 0.102 0.000 1.131 57 Y CA 0.542 58.739 58.100 0.163 0.000 1.121 57 Y CB 0.022 38.601 38.460 0.199 0.000 0.987 57 Y HN 0.520 nan 8.280 nan 0.000 0.495 58 I N -2.854 117.640 120.570 -0.126 0.000 3.322 58 I HA 0.705 4.875 4.170 0.000 0.000 0.313 58 I C -0.285 175.830 176.117 -0.003 0.000 1.129 58 I CA -1.395 59.797 61.300 -0.179 0.000 0.963 58 I CB 1.566 39.400 38.000 -0.276 0.000 1.273 58 I HN -0.074 nan 8.210 nan 0.000 0.473 59 A N 1.914 124.724 122.820 -0.015 0.000 2.981 59 A HA 0.726 5.046 4.320 0.000 0.000 0.280 59 A C 0.145 177.752 177.584 0.039 0.000 1.743 59 A CA 0.391 52.437 52.037 0.014 0.000 1.430 59 A CB -1.664 17.325 19.000 -0.018 0.000 1.085 59 A HN 1.171 nan 8.150 nan 0.000 0.597 60 A N 1.948 124.838 122.820 0.116 0.000 2.594 60 A HA 0.784 5.104 4.320 0.000 0.000 0.296 60 A C -0.802 176.941 177.584 0.265 0.000 1.061 60 A CA -0.358 51.770 52.037 0.153 0.000 0.689 60 A CB 0.869 19.936 19.000 0.111 0.000 1.280 60 A HN 1.606 nan 8.150 nan 0.000 0.406 61 H N -1.814 117.307 119.070 0.084 0.000 3.042 61 H HA 0.748 5.304 4.556 0.000 0.000 0.346 61 H C 0.637 176.019 175.328 0.089 0.000 1.294 61 H CA -0.251 55.850 56.048 0.090 0.000 1.141 61 H CB 1.352 31.164 29.762 0.084 0.000 1.872 61 H HN 1.033 nan 8.280 nan 0.000 0.541 62 A N 1.815 124.644 122.820 0.016 0.000 1.892 62 A HA -0.124 4.196 4.320 0.000 0.000 0.218 62 A C 2.374 179.882 177.584 -0.127 0.000 1.188 62 A CA 2.230 54.254 52.037 -0.023 0.000 0.631 62 A CB -1.662 17.373 19.000 0.060 0.000 0.822 62 A HN 0.988 nan 8.150 nan 0.000 0.447 63 G N -0.895 107.813 108.800 -0.154 0.000 2.442 63 G HA2 -0.021 3.939 3.960 0.000 0.000 0.219 63 G HA3 -0.021 3.939 3.960 0.000 0.000 0.219 63 G C 1.486 176.204 174.900 -0.304 0.000 1.141 63 G CA 1.361 46.382 45.100 -0.131 0.000 0.763 63 G HN 0.773 nan 8.290 nan 0.000 0.554 64 G N 0.105 108.385 108.800 -0.866 0.000 2.402 64 G HA2 -0.102 3.859 3.960 0.000 0.000 0.216 64 G HA3 -0.102 3.859 3.960 0.000 0.000 0.216 64 G C 1.841 176.671 174.900 -0.118 0.000 1.162 64 G CA 1.659 46.505 45.100 -0.423 0.000 0.777 64 G HN 0.374 nan 8.290 nan 0.000 0.539 65 T N 0.802 115.282 114.554 -0.123 0.000 2.684 65 T HA -0.119 4.231 4.350 0.000 0.000 0.267 65 T C 2.478 177.181 174.700 0.005 0.000 1.036 65 T CA 1.286 63.382 62.100 -0.008 0.000 1.148 65 T CB -0.151 68.724 68.868 0.011 0.000 0.863 65 T HN 0.252 nan 8.240 nan 0.000 0.436 66 R N 0.789 121.284 120.500 -0.008 0.000 2.090 66 R HA 0.149 4.490 4.340 0.000 0.000 0.228 66 R C 2.854 179.167 176.300 0.023 0.000 1.110 66 R CA 1.050 57.164 56.100 0.024 0.000 0.973 66 R CB -0.420 29.899 30.300 0.031 0.000 0.869 66 R HN 0.360 nan 8.270 nan 0.000 0.440 67 A N 1.277 124.098 122.820 0.002 0.000 1.933 67 A HA -0.097 4.224 4.320 0.000 0.000 0.218 67 A C 2.321 179.888 177.584 -0.028 0.000 1.175 67 A CA 1.672 53.712 52.037 0.005 0.000 0.628 67 A CB -0.473 18.536 19.000 0.015 0.000 0.814 67 A HN 0.386 nan 8.150 nan 0.000 0.444 68 A N -0.369 122.426 122.820 -0.042 0.000 1.929 68 A HA 0.066 4.386 4.320 0.000 0.000 0.216 68 A C 2.083 179.609 177.584 -0.096 0.000 1.176 68 A CA 1.249 53.216 52.037 -0.116 0.000 0.628 68 A CB -0.541 18.417 19.000 -0.070 0.000 0.816 68 A HN 0.446 nan 8.150 nan 0.000 0.444 69 L N -0.211 120.988 121.223 -0.041 0.000 2.191 69 L HA -0.178 4.163 4.340 0.000 0.000 0.212 69 L C 2.412 179.224 176.870 -0.097 0.000 1.103 69 L CA 0.991 55.803 54.840 -0.047 0.000 0.769 69 L CB -0.461 41.613 42.059 0.026 0.000 0.908 69 L HN 0.362 nan 8.230 nan 0.000 0.438 70 E N 0.140 120.330 120.200 -0.017 0.000 2.160 70 E HA -0.205 4.145 4.350 0.000 0.000 0.195 70 E C 2.222 178.726 176.600 -0.161 0.000 0.991 70 E CA 1.236 57.650 56.400 0.025 0.000 0.810 70 E CB -0.069 29.689 29.700 0.097 0.000 0.742 70 E HN 0.560 nan 8.360 nan 0.000 0.466 71 L N -0.288 120.834 121.223 -0.169 0.000 2.168 71 L HA -0.004 4.337 4.340 0.000 0.000 0.203 71 L C 2.533 179.257 176.870 -0.243 0.000 1.078 71 L CA 0.344 55.069 54.840 -0.191 0.000 0.780 71 L CB -0.308 41.654 42.059 -0.162 0.000 0.939 71 L HN 0.066 nan 8.230 nan 0.000 0.451 72 L N -0.017 121.068 121.223 -0.230 0.000 2.027 72 L HA -0.123 4.217 4.340 0.000 0.000 0.206 72 L C 2.924 179.640 176.870 -0.256 0.000 1.074 72 L CA 1.132 55.847 54.840 -0.209 0.000 0.745 72 L CB -0.732 41.235 42.059 -0.153 0.000 0.898 72 L HN 0.212 nan 8.230 nan 0.000 0.433 73 A N 0.652 123.255 122.820 -0.361 0.000 1.883 73 A HA -0.129 4.191 4.320 0.000 0.000 0.217 73 A C -0.064 177.239 177.584 -0.469 0.000 1.186 73 A CA 1.750 53.539 52.037 -0.414 0.000 0.624 73 A CB -1.850 16.870 19.000 -0.467 0.000 0.822 73 A HN 0.282 nan 8.150 nan 0.000 0.444 74 P HA -0.080 nan 4.420 nan 0.000 0.218 74 P C 1.554 178.731 177.300 -0.205 0.000 1.149 74 P CA 1.772 64.637 63.100 -0.391 0.000 0.817 74 P CB -0.140 31.344 31.700 -0.361 0.000 0.785 75 A N -0.010 122.685 122.820 -0.208 0.000 2.015 75 A HA -0.114 4.206 4.320 0.000 0.000 0.219 75 A C 1.979 179.499 177.584 -0.107 0.000 1.163 75 A CA 1.384 53.338 52.037 -0.138 0.000 0.646 75 A CB -1.398 17.517 19.000 -0.141 0.000 0.806 75 A HN 0.388 nan 8.150 nan 0.000 0.448 76 I N -3.433 117.070 120.570 -0.111 0.000 3.956 76 I HA 0.312 4.482 4.170 0.000 0.000 0.333 76 I C -0.008 176.074 176.117 -0.059 0.000 1.302 76 I CA -0.431 60.824 61.300 -0.074 0.000 1.122 76 I CB -0.097 37.867 38.000 -0.060 0.000 1.013 76 I HN -0.037 nan 8.210 nan 0.000 0.405 77 L N 3.140 124.325 121.223 -0.063 0.000 2.543 77 L HA 0.153 4.493 4.340 0.000 0.000 0.285 77 L C 1.519 178.369 176.870 -0.033 0.000 1.236 77 L CA 1.359 56.177 54.840 -0.037 0.000 0.871 77 L CB 0.106 42.152 42.059 -0.020 0.000 1.121 77 L HN 0.621 nan 8.230 nan 0.000 0.501 78 G N 2.302 111.086 108.800 -0.026 0.000 2.284 78 G HA2 -0.282 3.678 3.960 0.000 0.000 0.247 78 G HA3 -0.282 3.678 3.960 0.000 0.000 0.247 78 G C 0.328 175.209 174.900 -0.031 0.000 1.012 78 G CA 0.003 45.087 45.100 -0.026 0.000 0.618 78 G HN 0.468 nan 8.290 nan 0.000 0.521 79 M N 1.046 120.625 119.600 -0.035 0.000 2.228 79 M HA 0.344 4.824 4.480 0.000 0.000 0.326 79 M C 0.121 176.395 176.300 -0.043 0.000 1.122 79 M CA -0.322 54.955 55.300 -0.038 0.000 1.161 79 M CB 0.465 33.042 32.600 -0.038 0.000 1.437 79 M HN 0.172 nan 8.290 nan 0.000 0.465 80 D N 3.128 123.498 120.400 -0.050 0.000 2.325 80 D HA 0.158 4.798 4.640 0.000 0.000 0.251 80 D C -1.733 174.523 176.300 -0.074 0.000 1.196 80 D CA -2.012 51.952 54.000 -0.059 0.000 0.866 80 D CB 1.089 41.851 40.800 -0.063 0.000 1.101 80 D HN 0.245 nan 8.370 nan 0.000 0.476 81 P HA -0.047 nan 4.420 nan 0.000 0.230 81 P C 0.823 178.033 177.300 -0.149 0.000 1.158 81 P CA 0.494 63.541 63.100 -0.089 0.000 0.769 81 P CB 0.380 32.037 31.700 -0.071 0.000 0.807 82 R N -0.272 120.136 120.500 -0.153 0.000 2.236 82 R HA 0.058 4.398 4.340 0.000 0.000 0.208 82 R C 1.219 177.375 176.300 -0.240 0.000 1.036 82 R CA 0.500 56.477 56.100 -0.206 0.000 1.001 82 R CB -0.235 29.975 30.300 -0.150 0.000 0.896 82 R HN 0.371 nan 8.270 nan 0.000 0.464 83 Q N 1.536 121.213 119.800 -0.205 0.000 3.006 83 Q HA 0.025 4.366 4.340 0.000 0.000 0.260 83 Q C 0.523 176.381 176.000 -0.237 0.000 1.356 83 Q CA -0.202 55.450 55.803 -0.253 0.000 1.070 83 Q CB 0.373 29.016 28.738 -0.157 0.000 1.507 83 Q HN 0.552 nan 8.270 nan 0.000 0.568 84 H N -0.118 118.850 119.070 -0.170 0.000 2.352 84 H HA -0.149 4.407 4.556 0.000 0.000 0.299 84 H C 0.277 175.659 175.328 0.090 0.000 1.097 84 H CA 1.181 57.178 56.048 -0.085 0.000 1.311 84 H CB 0.223 29.895 29.762 -0.151 0.000 1.377 84 H HN 0.351 nan 8.280 nan 0.000 0.504 85 D N 0.671 121.052 120.400 -0.031 0.000 2.149 85 D HA -0.061 4.580 4.640 0.000 0.000 0.201 85 D C 2.415 178.797 176.300 0.136 0.000 0.972 85 D CA 0.545 54.616 54.000 0.117 0.000 0.835 85 D CB 0.005 40.823 40.800 0.030 0.000 0.966 85 D HN 0.284 nan 8.370 nan 0.000 0.476 86 R N 0.317 120.833 120.500 0.027 0.000 2.093 86 R HA 0.088 4.429 4.340 0.000 0.000 0.224 86 R C 2.497 178.828 176.300 0.053 0.000 1.101 86 R CA 0.227 56.343 56.100 0.028 0.000 0.979 86 R CB -0.607 29.678 30.300 -0.025 0.000 0.877 86 R HN 0.312 nan 8.270 nan 0.000 0.441 87 I N -0.043 120.567 120.570 0.065 0.000 2.226 87 I HA -0.281 3.889 4.170 0.000 0.000 0.245 87 I C 2.514 178.714 176.117 0.140 0.000 1.100 87 I CA 1.173 62.520 61.300 0.078 0.000 1.374 87 I CB -0.376 37.672 38.000 0.079 0.000 1.057 87 I HN 0.284 nan 8.210 nan 0.000 0.413 88 W N 2.582 123.905 121.300 0.039 0.000 2.335 88 W HA -0.265 4.396 4.660 0.000 0.000 0.311 88 W C 2.064 178.600 176.519 0.030 0.000 1.213 88 W CA 1.894 59.273 57.345 0.055 0.000 1.274 88 W CB -0.266 29.249 29.460 0.092 0.000 1.148 88 W HN 0.225 nan 8.180 nan 0.000 0.498 89 D N 0.029 120.522 120.400 0.154 0.000 2.123 89 D HA -0.231 4.409 4.640 0.000 0.000 0.196 89 D C 2.025 178.288 176.300 -0.062 0.000 0.992 89 D CA 1.904 55.923 54.000 0.032 0.000 0.833 89 D CB -0.525 40.317 40.800 0.069 0.000 0.954 89 D HN 0.076 nan 8.370 nan 0.000 0.455 90 R N 0.410 120.881 120.500 -0.049 0.000 2.081 90 R HA -0.026 4.314 4.340 0.000 0.000 0.235 90 R C 2.289 178.512 176.300 -0.129 0.000 1.131 90 R CA 1.205 57.260 56.100 -0.075 0.000 0.960 90 R CB -0.437 29.829 30.300 -0.056 0.000 0.856 90 R HN 0.177 nan 8.270 nan 0.000 0.436 91 M N -0.237 119.255 119.600 -0.181 0.000 2.086 91 M HA -0.140 4.340 4.480 0.000 0.000 0.261 91 M C 2.289 178.411 176.300 -0.295 0.000 1.067 91 M CA 1.885 57.035 55.300 -0.251 0.000 1.116 91 M CB -0.309 32.106 32.600 -0.309 0.000 1.348 91 M HN 0.117 nan 8.290 nan 0.000 0.407 92 R N 0.387 120.661 120.500 -0.377 0.000 2.091 92 R HA -0.151 4.189 4.340 0.000 0.000 0.238 92 R C 1.567 177.772 176.300 -0.159 0.000 1.136 92 R CA 1.415 57.342 56.100 -0.288 0.000 0.959 92 R CB -0.536 29.603 30.300 -0.268 0.000 0.856 92 R HN 0.363 nan 8.270 nan 0.000 0.437 93 D N -0.589 119.734 120.400 -0.128 0.000 2.264 93 D HA -0.068 4.572 4.640 0.000 0.000 0.208 93 D C 1.438 177.684 176.300 -0.089 0.000 0.966 93 D CA 1.162 55.110 54.000 -0.086 0.000 0.864 93 D CB 0.034 40.794 40.800 -0.067 0.000 0.933 93 D HN 0.226 nan 8.370 nan 0.000 0.499 94 T N -0.230 114.255 114.554 -0.115 0.000 2.983 94 T HA 0.136 4.486 4.350 0.000 0.000 0.250 94 T C 0.543 175.170 174.700 -0.121 0.000 1.037 94 T CA 0.076 62.107 62.100 -0.115 0.000 1.142 94 T CB 0.616 69.404 68.868 -0.133 0.000 0.876 94 T HN -0.041 nan 8.240 nan 0.000 0.455 95 L N 1.028 122.169 121.223 -0.135 0.000 2.639 95 L HA 0.475 4.815 4.340 0.000 0.000 0.264 95 L C -1.051 175.766 176.870 -0.087 0.000 0.948 95 L CA -0.765 53.994 54.840 -0.135 0.000 0.912 95 L CB 1.634 43.565 42.059 -0.212 0.000 1.294 95 L HN -0.199 nan 8.230 nan 0.000 0.412 96 K N 3.512 123.896 120.400 -0.026 0.000 2.350 96 K HA 0.583 4.903 4.320 0.000 0.000 0.279 96 K C 0.832 177.508 176.600 0.125 0.000 1.027 96 K CA 1.110 57.406 56.287 0.016 0.000 0.969 96 K CB 0.473 32.986 32.500 0.021 0.000 0.954 96 K HN 1.014 nan 8.250 nan 0.000 0.474 97 G N 2.757 111.596 108.800 0.065 0.000 2.547 97 G HA2 -0.351 3.610 3.960 0.000 0.000 0.271 97 G HA3 -0.351 3.610 3.960 0.000 0.000 0.271 97 G C -0.526 174.456 174.900 0.136 0.000 1.209 97 G CA 0.350 45.490 45.100 0.067 0.000 0.959 97 G HN 1.049 nan 8.290 nan 0.000 0.563 98 H N -0.754 118.310 119.070 -0.010 0.000 2.692 98 H HA -0.151 4.405 4.556 0.000 0.000 0.316 98 H C 1.737 177.063 175.328 -0.002 0.000 1.176 98 H CA 1.291 57.335 56.048 -0.006 0.000 1.142 98 H CB -1.097 28.649 29.762 -0.027 0.000 1.475 98 H HN 0.647 nan 8.280 nan 0.000 0.423 99 R N 0.563 121.116 120.500 0.089 0.000 2.189 99 R HA -0.116 4.224 4.340 0.000 0.000 0.223 99 R C 1.899 178.279 176.300 0.133 0.000 1.092 99 R CA 1.320 57.495 56.100 0.126 0.000 0.989 99 R CB 0.018 30.420 30.300 0.171 0.000 0.876 99 R HN 0.647 nan 8.270 nan 0.000 0.457 100 D N 0.587 121.052 120.400 0.109 0.000 2.149 100 D HA -0.192 4.448 4.640 0.000 0.000 0.198 100 D C 1.577 177.939 176.300 0.103 0.000 0.990 100 D CA 1.596 55.660 54.000 0.106 0.000 0.839 100 D CB -0.217 40.638 40.800 0.092 0.000 0.948 100 D HN 0.222 nan 8.370 nan 0.000 0.460 101 A N 0.909 123.788 122.820 0.098 0.000 1.898 101 A HA -0.049 4.271 4.320 0.000 0.000 0.214 101 A C 2.403 180.026 177.584 0.065 0.000 1.183 101 A CA 0.886 52.966 52.037 0.073 0.000 0.622 101 A CB -0.430 18.602 19.000 0.054 0.000 0.824 101 A HN 0.104 nan 8.150 nan 0.000 0.444 102 R N -0.168 120.369 120.500 0.061 0.000 2.091 102 R HA -0.154 4.186 4.340 0.000 0.000 0.238 102 R C 2.457 178.859 176.300 0.169 0.000 1.136 102 R CA 1.256 57.399 56.100 0.070 0.000 0.959 102 R CB -0.558 29.746 30.300 0.006 0.000 0.856 102 R HN 0.511 nan 8.270 nan 0.000 0.437 103 A N 1.519 124.448 122.820 0.181 0.000 1.873 103 A HA -0.212 4.108 4.320 0.000 0.000 0.218 103 A C 2.441 180.120 177.584 0.158 0.000 1.193 103 A CA 2.007 54.154 52.037 0.183 0.000 0.629 103 A CB -0.853 18.235 19.000 0.147 0.000 0.826 103 A HN 0.427 nan 8.150 nan 0.000 0.447 104 A N -0.513 122.388 122.820 0.135 0.000 1.908 104 A HA -0.062 4.258 4.320 0.000 0.000 0.218 104 A C 2.205 179.868 177.584 0.131 0.000 1.181 104 A CA 1.631 53.749 52.037 0.135 0.000 0.627 104 A CB -0.636 18.441 19.000 0.129 0.000 0.818 104 A HN 0.496 nan 8.150 nan 0.000 0.445 105 L N -0.909 120.382 121.223 0.113 0.000 2.056 105 L HA -0.173 4.167 4.340 0.000 0.000 0.207 105 L C 2.388 179.344 176.870 0.143 0.000 1.078 105 L CA 1.821 56.718 54.840 0.096 0.000 0.749 105 L CB -0.595 41.498 42.059 0.057 0.000 0.901 105 L HN 0.502 nan 8.230 nan 0.000 0.433 106 D N 0.390 120.914 120.400 0.206 0.000 2.117 106 D HA -0.175 4.466 4.640 0.000 0.000 0.198 106 D C 2.189 178.694 176.300 0.342 0.000 0.982 106 D CA 1.102 55.285 54.000 0.306 0.000 0.828 106 D CB 0.068 41.104 40.800 0.393 0.000 0.967 106 D HN 0.222 nan 8.370 nan 0.000 0.464 107 I N 0.567 121.284 120.570 0.244 0.000 2.226 107 I HA -0.242 3.928 4.170 0.000 0.000 0.245 107 I C 2.489 178.738 176.117 0.222 0.000 1.100 107 I CA 1.136 62.564 61.300 0.213 0.000 1.374 107 I CB -0.336 37.751 38.000 0.145 0.000 1.057 107 I HN 0.080 nan 8.210 nan 0.000 0.413 108 A N -0.269 122.653 122.820 0.170 0.000 1.933 108 A HA -0.224 4.096 4.320 0.000 0.000 0.218 108 A C 2.430 180.067 177.584 0.089 0.000 1.175 108 A CA 1.772 53.875 52.037 0.111 0.000 0.628 108 A CB -1.202 17.823 19.000 0.041 0.000 0.814 108 A HN 0.553 nan 8.150 nan 0.000 0.444 109 C N -2.908 116.453 119.300 0.102 0.000 2.446 109 C HA -0.135 4.325 4.460 0.000 0.000 0.277 109 C C 2.362 177.359 174.990 0.013 0.000 1.275 109 C CA 0.545 59.583 59.018 0.032 0.000 1.727 109 C CB -1.711 26.036 27.740 0.013 0.000 2.010 109 C HN 0.836 nan 8.230 nan 0.000 0.486 110 W N 1.019 122.333 121.300 0.022 0.000 2.388 110 W HA -0.079 4.581 4.660 0.000 0.000 0.294 110 W C 2.278 178.786 176.519 -0.019 0.000 1.212 110 W CA 1.557 58.899 57.345 -0.004 0.000 1.271 110 W CB -0.509 28.933 29.460 -0.032 0.000 1.126 110 W HN 0.326 nan 8.180 nan 0.000 0.535 111 D N 0.441 120.971 120.400 0.218 0.000 2.092 111 D HA -0.205 4.435 4.640 0.000 0.000 0.193 111 D C 1.901 178.247 176.300 0.077 0.000 0.994 111 D CA 1.751 55.828 54.000 0.127 0.000 0.828 111 D CB -0.425 40.460 40.800 0.141 0.000 0.963 111 D HN 0.113 nan 8.370 nan 0.000 0.450 112 I N 0.625 121.223 120.570 0.046 0.000 2.163 112 I HA -0.281 3.889 4.170 0.000 0.000 0.243 112 I C 2.574 178.684 176.117 -0.012 0.000 1.085 112 I CA 1.318 62.621 61.300 0.006 0.000 1.347 112 I CB -0.339 37.647 38.000 -0.022 0.000 1.044 112 I HN 0.021 nan 8.210 nan 0.000 0.408 113 A N 0.565 123.360 122.820 -0.042 0.000 1.908 113 A HA -0.190 4.130 4.320 0.000 0.000 0.218 113 A C 2.513 180.083 177.584 -0.023 0.000 1.181 113 A CA 1.990 53.978 52.037 -0.082 0.000 0.627 113 A CB -0.920 17.943 19.000 -0.228 0.000 0.818 113 A HN 0.450 nan 8.150 nan 0.000 0.445 114 A N -0.872 121.967 122.820 0.032 0.000 1.930 114 A HA -0.175 4.145 4.320 0.000 0.000 0.217 114 A C 2.120 179.715 177.584 0.018 0.000 1.175 114 A CA 1.579 53.642 52.037 0.043 0.000 0.627 114 A CB -0.516 18.516 19.000 0.054 0.000 0.815 114 A HN 0.658 nan 8.150 nan 0.000 0.443 115 Q N -0.577 119.235 119.800 0.019 0.000 2.050 115 Q HA -0.107 4.233 4.340 0.000 0.000 0.202 115 Q C 2.448 178.454 176.000 0.010 0.000 0.980 115 Q CA 1.404 57.218 55.803 0.018 0.000 0.840 115 Q CB -0.412 28.343 28.738 0.028 0.000 0.898 115 Q HN 0.671 nan 8.270 nan 0.000 0.424 116 A N 1.075 123.895 122.820 0.000 0.000 1.940 116 A HA -0.138 4.183 4.320 0.000 0.000 0.219 116 A C 2.174 179.755 177.584 -0.005 0.000 1.176 116 A CA 1.697 53.730 52.037 -0.007 0.000 0.631 116 A CB -0.636 18.352 19.000 -0.021 0.000 0.814 116 A HN 0.396 nan 8.150 nan 0.000 0.446 117 A N -1.798 121.020 122.820 -0.003 0.000 2.208 117 A HA 0.412 4.732 4.320 0.000 0.000 0.209 117 A C 1.739 179.328 177.584 0.008 0.000 1.161 117 A CA 1.154 53.192 52.037 0.002 0.000 0.782 117 A CB -0.974 18.031 19.000 0.007 0.000 0.816 117 A HN 1.947 nan 8.150 nan 0.000 0.477 118 G N -0.918 107.887 108.800 0.010 0.000 2.221 118 G HA2 -0.202 3.758 3.960 0.000 0.000 0.265 118 G HA3 -0.202 3.758 3.960 0.000 0.000 0.265 118 G C -0.175 174.733 174.900 0.014 0.000 1.041 118 G CA 0.601 45.708 45.100 0.012 0.000 0.807 118 G HN 0.523 nan 8.290 nan 0.000 0.502 119 L N 0.153 121.385 121.223 0.014 0.000 2.388 119 L HA 0.564 4.904 4.340 0.000 0.000 0.264 119 L C -2.034 174.834 176.870 -0.002 0.000 0.998 119 L CA -2.692 52.157 54.840 0.014 0.000 0.817 119 L CB 2.684 44.756 42.059 0.022 0.000 1.338 119 L HN -0.113 nan 8.230 nan 0.000 0.414 120 P HA 0.015 nan 4.420 nan 0.000 0.272 120 P C 0.564 177.783 177.300 -0.134 0.000 1.223 120 P CA -0.421 62.652 63.100 -0.046 0.000 0.784 120 P CB 1.212 32.967 31.700 0.092 0.000 0.923 121 L N 3.706 124.657 121.223 -0.454 0.000 2.079 121 L HA -0.203 4.137 4.340 0.000 0.000 0.210 121 L C 2.459 179.265 176.870 -0.108 0.000 1.081 121 L CA 2.122 56.764 54.840 -0.330 0.000 0.752 121 L CB -1.283 40.484 42.059 -0.486 0.000 0.896 121 L HN 0.566 nan 8.230 nan 0.000 0.433 122 C N -2.236 117.129 119.300 0.108 0.000 2.411 122 C HA -0.098 4.362 4.460 0.000 0.000 0.279 122 C C 2.124 177.137 174.990 0.038 0.000 1.288 122 C CA 0.579 59.669 59.018 0.120 0.000 1.764 122 C CB -1.433 26.407 27.740 0.166 0.000 1.974 122 C HN 0.530 nan 8.230 nan 0.000 0.498 123 D N 0.356 120.779 120.400 0.039 0.000 2.289 123 D HA 0.058 4.699 4.640 0.000 0.000 0.207 123 D C 2.202 178.521 176.300 0.031 0.000 0.966 123 D CA 0.793 54.809 54.000 0.028 0.000 0.868 123 D CB -0.256 40.561 40.800 0.029 0.000 0.943 123 D HN 0.489 nan 8.370 nan 0.000 0.514 124 M N 0.141 119.766 119.600 0.041 0.000 2.514 124 M HA -0.001 4.479 4.480 0.000 0.000 0.258 124 M C 0.980 177.339 176.300 0.099 0.000 1.119 124 M CA 0.835 56.194 55.300 0.097 0.000 1.111 124 M CB -0.105 32.593 32.600 0.164 0.000 1.390 124 M HN -0.047 nan 8.290 nan 0.000 0.475 125 T N -2.811 111.743 114.554 -0.001 0.000 3.242 125 T HA 0.544 4.894 4.350 0.000 0.000 0.253 125 T C 1.036 175.702 174.700 -0.057 0.000 0.946 125 T CA 0.330 62.378 62.100 -0.087 0.000 0.944 125 T CB 0.102 68.832 68.868 -0.229 0.000 1.122 125 T HN 0.528 nan 8.240 nan 0.000 0.546 126 G N -0.189 108.603 108.800 -0.012 0.000 2.307 126 G HA2 0.308 4.268 3.960 0.000 0.000 0.210 126 G HA3 0.308 4.268 3.960 0.000 0.000 0.210 126 G C 0.583 175.481 174.900 -0.004 0.000 1.005 126 G CA -0.178 44.916 45.100 -0.010 0.000 0.634 126 G HN 2.005 nan 8.290 nan 0.000 0.496 127 G N -0.668 108.130 108.800 -0.004 0.000 2.697 127 G HA2 0.392 4.352 3.960 0.000 0.000 0.684 127 G HA3 0.392 4.352 3.960 0.000 0.000 0.684 127 G C -0.358 174.539 174.900 -0.005 0.000 1.274 127 G CA 0.450 45.551 45.100 0.001 0.000 0.806 127 G HN 1.145 nan 8.290 nan 0.000 0.644 128 R N 1.023 121.523 120.500 0.000 0.000 2.480 128 R HA 0.308 4.648 4.340 0.000 0.000 0.303 128 R C 0.441 176.731 176.300 -0.017 0.000 0.985 128 R CA -0.205 55.890 56.100 -0.009 0.000 1.051 128 R CB 0.241 30.539 30.300 -0.003 0.000 0.935 128 R HN 0.462 nan 8.270 nan 0.000 0.410 129 V N 4.696 124.594 119.914 -0.026 0.000 2.530 129 V HA 0.215 4.335 4.120 0.000 0.000 0.282 129 V C 0.648 176.725 176.094 -0.029 0.000 1.048 129 V CA -0.327 61.957 62.300 -0.026 0.000 0.997 129 V CB 1.141 32.946 31.823 -0.030 0.000 0.987 129 V HN 0.974 nan 8.190 nan 0.000 0.477 130 A N 4.296 127.102 122.820 -0.024 0.000 2.511 130 A HA 0.581 4.902 4.320 0.000 0.000 0.242 130 A C 0.921 178.486 177.584 -0.032 0.000 1.069 130 A CA 0.747 52.769 52.037 -0.025 0.000 0.763 130 A CB -0.595 18.392 19.000 -0.021 0.000 1.001 130 A HN 2.227 nan 8.150 nan 0.000 0.498 131 G N 2.207 110.987 108.800 -0.034 0.000 2.699 131 G HA2 0.031 3.991 3.960 0.000 0.000 0.686 131 G HA3 0.031 3.991 3.960 0.000 0.000 0.686 131 G C -2.799 172.073 174.900 -0.048 0.000 1.301 131 G CA -0.414 44.663 45.100 -0.039 0.000 0.816 131 G HN 0.901 nan 8.290 nan 0.000 0.595 132 P HA 0.426 nan 4.420 nan 0.000 0.274 132 P C 0.311 177.573 177.300 -0.062 0.000 1.231 132 P CA -0.294 62.771 63.100 -0.057 0.000 0.790 132 P CB 1.088 32.754 31.700 -0.057 0.000 0.951 133 V N 4.776 124.650 119.914 -0.066 0.000 2.521 133 V HA 0.096 4.216 4.120 0.000 0.000 0.286 133 V C -1.862 174.199 176.094 -0.055 0.000 1.034 133 V CA -1.206 61.054 62.300 -0.067 0.000 1.045 133 V CB 0.075 31.854 31.823 -0.074 0.000 0.974 133 V HN 0.563 nan 8.190 nan 0.000 0.480 134 P HA 0.136 nan 4.420 nan 0.000 0.268 134 P C -0.628 176.661 177.300 -0.019 0.000 1.204 134 P CA 0.098 63.162 63.100 -0.060 0.000 0.768 134 P CB 0.558 32.207 31.700 -0.085 0.000 0.842 135 V N 5.536 125.467 119.914 0.029 0.000 2.483 135 V HA 0.303 4.423 4.120 0.000 0.000 0.295 135 V C 0.656 176.864 176.094 0.189 0.000 1.035 135 V CA -0.790 61.583 62.300 0.122 0.000 0.896 135 V CB 1.655 33.588 31.823 0.182 0.000 0.986 135 V HN 0.493 nan 8.190 nan 0.000 0.447 136 I N 3.676 124.303 120.570 0.094 0.000 2.575 136 I HA 0.266 4.436 4.170 0.000 0.000 0.285 136 I C 0.753 176.789 176.117 -0.134 0.000 1.085 136 I CA 0.532 61.844 61.300 0.021 0.000 1.403 136 I CB 1.388 39.410 38.000 0.037 0.000 1.409 136 I HN 0.780 nan 8.210 nan 0.000 0.557 137 S N 5.398 120.936 115.700 -0.270 0.000 2.525 137 S HA 0.324 4.794 4.470 0.000 0.000 0.278 137 S C -0.357 174.199 174.600 -0.073 0.000 1.234 137 S CA -0.515 57.439 58.200 -0.410 0.000 1.058 137 S CB 1.258 64.266 63.200 -0.321 0.000 0.983 137 S HN 0.631 nan 8.310 nan 0.000 0.495 138 S N 4.759 120.428 115.700 -0.052 0.000 2.438 138 S HA 0.543 5.013 4.470 0.000 0.000 0.316 138 S C -0.606 174.043 174.600 0.082 0.000 1.084 138 S CA -0.871 57.338 58.200 0.015 0.000 1.107 138 S CB -0.074 63.102 63.200 -0.039 0.000 0.981 138 S HN 0.670 nan 8.310 nan 0.000 0.466 139 I N 5.236 125.840 120.570 0.057 0.000 2.337 139 I HA 0.313 4.483 4.170 0.000 0.000 0.285 139 I C 1.202 177.323 176.117 0.006 0.000 1.041 139 I CA -0.490 60.819 61.300 0.015 0.000 1.199 139 I CB 0.135 38.135 38.000 -0.001 0.000 1.370 139 I HN 0.703 nan 8.210 nan 0.000 0.470 140 G N 4.104 112.910 108.800 0.009 0.000 2.544 140 G HA2 0.349 4.309 3.960 0.000 0.000 0.242 140 G HA3 0.349 4.309 3.960 0.000 0.000 0.242 140 G C 0.584 175.488 174.900 0.008 0.000 1.247 140 G CA -0.372 44.738 45.100 0.016 0.000 0.840 140 G HN 0.748 nan 8.290 nan 0.000 0.578 141 G N 0.183 108.992 108.800 0.015 0.000 2.305 141 G HA2 0.415 4.375 3.960 0.000 0.000 0.243 141 G HA3 0.415 4.375 3.960 0.000 0.000 0.243 141 G C -0.289 174.615 174.900 0.006 0.000 1.288 141 G CA 0.255 45.361 45.100 0.010 0.000 0.901 141 G HN 0.671 nan 8.290 nan 0.000 0.516 142 D N -0.724 119.675 120.400 -0.003 0.000 2.992 142 D HA 0.300 4.940 4.640 0.000 0.000 0.349 142 D C 0.486 176.779 176.300 -0.010 0.000 1.393 142 D CA 0.050 54.046 54.000 -0.007 0.000 0.887 142 D CB 0.520 41.312 40.800 -0.013 0.000 1.447 142 D HN 0.580 nan 8.370 nan 0.000 0.524 143 T N -0.831 113.715 114.554 -0.013 0.000 2.900 143 T HA 0.296 4.646 4.350 0.000 0.000 0.307 143 T C -1.824 172.862 174.700 -0.025 0.000 1.065 143 T CA -0.677 61.414 62.100 -0.016 0.000 1.105 143 T CB 1.116 69.974 68.868 -0.016 0.000 0.979 143 T HN 0.075 nan 8.240 nan 0.000 0.544 144 P HA -0.075 nan 4.420 nan 0.000 0.216 144 P C 1.376 178.650 177.300 -0.042 0.000 1.153 144 P CA 0.975 64.053 63.100 -0.037 0.000 0.858 144 P CB 0.099 31.777 31.700 -0.037 0.000 0.789 145 E N -0.923 119.256 120.200 -0.036 0.000 2.152 145 E HA -0.038 4.312 4.350 0.000 0.000 0.192 145 E C 2.074 178.650 176.600 -0.039 0.000 0.983 145 E CA 1.134 57.512 56.400 -0.036 0.000 0.818 145 E CB -1.052 28.630 29.700 -0.029 0.000 0.758 145 E HN 0.087 nan 8.360 nan 0.000 0.467 146 A N 0.213 123.011 122.820 -0.036 0.000 1.898 146 A HA -0.153 4.167 4.320 0.000 0.000 0.216 146 A C 2.150 179.701 177.584 -0.055 0.000 1.181 146 A CA 1.422 53.435 52.037 -0.039 0.000 0.620 146 A CB -0.417 18.566 19.000 -0.029 0.000 0.819 146 A HN 0.190 nan 8.150 nan 0.000 0.442 147 M N -1.219 118.348 119.600 -0.054 0.000 2.117 147 M HA -0.148 4.332 4.480 0.000 0.000 0.262 147 M C 2.402 178.648 176.300 -0.090 0.000 1.065 147 M CA 1.939 57.197 55.300 -0.069 0.000 1.114 147 M CB -0.372 32.197 32.600 -0.053 0.000 1.361 147 M HN 0.501 nan 8.290 nan 0.000 0.408 148 R N 0.713 121.166 120.500 -0.078 0.000 2.091 148 R HA -0.158 4.183 4.340 0.000 0.000 0.238 148 R C 2.140 178.392 176.300 -0.081 0.000 1.136 148 R CA 1.753 57.804 56.100 -0.082 0.000 0.959 148 R CB -0.268 29.992 30.300 -0.067 0.000 0.856 148 R HN 0.362 nan 8.270 nan 0.000 0.437 149 A N 1.209 123.986 122.820 -0.071 0.000 1.877 149 A HA -0.210 4.110 4.320 0.000 0.000 0.216 149 A C 2.087 179.614 177.584 -0.095 0.000 1.186 149 A CA 1.747 53.747 52.037 -0.062 0.000 0.620 149 A CB -0.473 18.500 19.000 -0.045 0.000 0.822 149 A HN 0.418 nan 8.150 nan 0.000 0.443 150 K N -0.291 120.023 120.400 -0.143 0.000 2.097 150 K HA -0.071 4.249 4.320 0.000 0.000 0.206 150 K C 1.670 178.032 176.600 -0.396 0.000 1.049 150 K CA 1.500 57.623 56.287 -0.274 0.000 0.933 150 K CB -0.331 32.001 32.500 -0.280 0.000 0.717 150 K HN 0.167 nan 8.250 nan 0.000 0.442 151 V N 1.288 121.045 119.914 -0.262 0.000 2.287 151 V HA -0.290 3.830 4.120 0.000 0.000 0.248 151 V C 2.445 178.488 176.094 -0.086 0.000 1.053 151 V CA 2.092 64.245 62.300 -0.245 0.000 1.027 151 V CB -0.864 30.803 31.823 -0.259 0.000 0.646 151 V HN 0.557 nan 8.190 nan 0.000 0.447 152 A N -0.272 122.515 122.820 -0.055 0.000 1.933 152 A HA -0.202 4.118 4.320 0.000 0.000 0.218 152 A C 2.378 180.002 177.584 0.067 0.000 1.175 152 A CA 1.636 53.683 52.037 0.017 0.000 0.628 152 A CB -0.451 18.550 19.000 0.002 0.000 0.814 152 A HN 0.520 nan 8.150 nan 0.000 0.444 153 R N -1.352 119.173 120.500 0.043 0.000 2.073 153 R HA -0.121 4.219 4.340 0.000 0.000 0.234 153 R C 2.116 178.586 176.300 0.284 0.000 1.134 153 R CA 1.568 57.740 56.100 0.120 0.000 0.952 153 R CB -0.594 29.755 30.300 0.082 0.000 0.850 153 R HN 0.607 nan 8.270 nan 0.000 0.433 154 H N 0.383 119.541 119.070 0.147 0.000 2.353 154 H HA -0.063 4.493 4.556 0.000 0.000 0.300 154 H C 2.052 177.603 175.328 0.371 0.000 1.090 154 H CA 1.359 57.562 56.048 0.258 0.000 1.327 154 H CB -0.331 29.533 29.762 0.170 0.000 1.383 154 H HN 0.153 nan 8.280 nan 0.000 0.508 155 R N 0.707 121.460 120.500 0.421 0.000 2.103 155 R HA -0.139 4.201 4.340 0.000 0.000 0.242 155 R C 2.242 178.666 176.300 0.207 0.000 1.142 155 R CA 1.471 57.755 56.100 0.308 0.000 0.960 155 R CB -0.271 30.162 30.300 0.223 0.000 0.858 155 R HN 0.304 nan 8.270 nan 0.000 0.439 156 A N 0.472 123.398 122.820 0.178 0.000 2.015 156 A HA -0.150 4.170 4.320 0.000 0.000 0.219 156 A C 1.854 179.504 177.584 0.110 0.000 1.163 156 A CA 1.232 53.341 52.037 0.120 0.000 0.646 156 A CB -0.229 18.832 19.000 0.101 0.000 0.806 156 A HN 0.540 nan 8.150 nan 0.000 0.448 157 Q N -1.890 118.012 119.800 0.170 0.000 2.451 157 Q HA 0.246 4.586 4.340 0.000 0.000 0.206 157 Q C 1.161 177.133 176.000 -0.047 0.000 0.947 157 Q CA 0.469 56.340 55.803 0.113 0.000 0.937 157 Q CB 0.177 29.067 28.738 0.252 0.000 1.025 157 Q HN 0.850 nan 8.270 nan 0.000 0.511 158 G N -0.013 108.780 108.800 -0.013 0.000 2.184 158 G HA2 -0.219 3.741 3.960 0.000 0.000 0.206 158 G HA3 -0.219 3.741 3.960 0.000 0.000 0.206 158 G C -0.193 174.593 174.900 -0.189 0.000 0.995 158 G CA -0.677 44.346 45.100 -0.129 0.000 0.651 158 G HN 0.208 nan 8.290 nan 0.000 0.511 159 F N 0.992 120.932 119.950 -0.017 0.000 2.484 159 F HA 0.548 5.075 4.527 0.000 0.000 0.360 159 F C 1.579 177.312 175.800 -0.112 0.000 1.101 159 F CA 0.517 58.460 58.000 -0.096 0.000 1.251 159 F CB 1.192 40.105 39.000 -0.144 0.000 1.132 159 F HN -0.044 nan 8.300 nan 0.000 0.570 160 K N 1.308 121.709 120.400 0.002 0.000 2.387 160 K HA 0.226 4.546 4.320 0.000 0.000 0.197 160 K C 0.822 177.334 176.600 -0.148 0.000 1.127 160 K CA 0.131 56.404 56.287 -0.023 0.000 0.950 160 K CB 0.610 33.114 32.500 0.008 0.000 1.017 160 K HN 0.727 nan 8.250 nan 0.000 0.519 161 G N 0.703 109.395 108.800 -0.181 0.000 2.348 161 G HA2 0.332 4.292 3.960 0.000 0.000 0.312 161 G HA3 0.332 4.292 3.960 0.000 0.000 0.312 161 G C -1.108 173.549 174.900 -0.405 0.000 1.126 161 G CA -0.341 44.706 45.100 -0.089 0.000 0.865 161 G HN 0.144 nan 8.290 nan 0.000 0.474 162 H N 0.612 119.602 119.070 -0.133 0.000 2.667 162 H HA 0.415 4.971 4.556 0.000 0.000 0.353 162 H C -0.849 174.437 175.328 -0.069 0.000 1.072 162 H CA -0.513 55.462 56.048 -0.123 0.000 1.214 162 H CB 2.316 31.959 29.762 -0.198 0.000 1.600 162 H HN 0.472 nan 8.280 nan 0.000 0.527 163 S N 3.836 119.588 115.700 0.086 0.000 2.422 163 S HA 0.434 4.904 4.470 0.000 0.000 0.308 163 S C 0.072 174.701 174.600 0.047 0.000 1.097 163 S CA -0.862 57.362 58.200 0.039 0.000 1.099 163 S CB -0.381 62.833 63.200 0.023 0.000 0.976 163 S HN 0.547 nan 8.310 nan 0.000 0.471 164 I N 2.502 123.092 120.570 0.033 0.000 2.378 164 I HA 0.647 4.817 4.170 0.000 0.000 0.291 164 I C -0.628 175.489 176.117 0.001 0.000 0.992 164 I CA -1.050 60.265 61.300 0.026 0.000 1.154 164 I CB 1.421 39.445 38.000 0.041 0.000 1.315 164 I HN 0.234 nan 8.210 nan 0.000 0.448 165 K N 8.115 128.514 120.400 -0.001 0.000 2.297 165 K HA 0.553 4.874 4.320 0.000 0.000 0.286 165 K C -0.290 176.310 176.600 -0.000 0.000 1.053 165 K CA -0.240 56.046 56.287 -0.003 0.000 0.940 165 K CB 1.565 34.066 32.500 0.003 0.000 1.019 165 K HN 0.835 nan 8.250 nan 0.000 0.475 166 I N -2.935 117.634 120.570 -0.002 0.000 3.108 166 I HA 0.830 5.001 4.170 0.000 0.000 0.312 166 I C 0.170 176.284 176.117 -0.005 0.000 1.095 166 I CA -1.149 60.154 61.300 0.006 0.000 1.000 166 I CB 2.472 40.480 38.000 0.012 0.000 1.229 166 I HN 0.540 nan 8.210 nan 0.000 0.454 167 G N 2.136 110.936 108.800 -0.000 0.000 2.441 167 G HA2 0.398 4.359 3.960 0.000 0.000 0.233 167 G HA3 0.398 4.359 3.960 0.000 0.000 0.233 167 G C -0.617 174.277 174.900 -0.009 0.000 1.703 167 G CA -0.268 44.797 45.100 -0.059 0.000 1.020 167 G HN 1.072 nan 8.290 nan 0.000 0.600 168 A N 0.976 123.843 122.820 0.077 0.000 2.310 168 A HA 0.893 5.214 4.320 0.000 0.000 0.299 168 A C 1.041 178.704 177.584 0.133 0.000 1.147 168 A CA 0.427 52.526 52.037 0.104 0.000 0.818 168 A CB 0.739 19.808 19.000 0.114 0.000 1.096 168 A HN 2.116 nan 8.150 nan 0.000 0.495 169 S N 1.561 117.307 115.700 0.076 0.000 2.600 169 S HA 0.145 4.615 4.470 0.000 0.000 0.265 169 S C 0.690 175.338 174.600 0.079 0.000 1.325 169 S CA -0.129 58.115 58.200 0.073 0.000 1.002 169 S CB 0.603 63.827 63.200 0.040 0.000 0.921 169 S HN 0.657 nan 8.310 nan 0.000 0.554 170 E N 1.437 121.678 120.200 0.069 0.000 2.085 170 E HA -0.160 4.190 4.350 0.000 0.000 0.194 170 E C 2.400 179.014 176.600 0.023 0.000 0.994 170 E CA 1.700 58.124 56.400 0.041 0.000 0.801 170 E CB -1.126 28.593 29.700 0.032 0.000 0.743 170 E HN 0.830 nan 8.360 nan 0.000 0.453 171 A N 1.271 124.105 122.820 0.023 0.000 1.908 171 A HA -0.218 4.102 4.320 0.000 0.000 0.218 171 A C 1.936 179.528 177.584 0.013 0.000 1.181 171 A CA 1.684 53.729 52.037 0.014 0.000 0.627 171 A CB -0.485 18.523 19.000 0.014 0.000 0.818 171 A HN 0.236 nan 8.150 nan 0.000 0.445 172 E N -1.968 118.244 120.200 0.020 0.000 2.482 172 E HA 0.227 4.577 4.350 0.000 0.000 0.196 172 E C 1.187 177.796 176.600 0.014 0.000 1.047 172 E CA 0.377 56.787 56.400 0.018 0.000 0.869 172 E CB -0.028 29.687 29.700 0.024 0.000 0.836 172 E HN 0.757 nan 8.360 nan 0.000 0.520 173 G N -0.220 108.587 108.800 0.012 0.000 2.296 173 G HA2 -0.149 3.812 3.960 0.000 0.000 0.188 173 G HA3 -0.149 3.812 3.960 0.000 0.000 0.188 173 G C 0.755 175.648 174.900 -0.011 0.000 1.000 173 G CA -0.297 44.802 45.100 -0.002 0.000 0.672 173 G HN 0.635 nan 8.290 nan 0.000 0.483 174 G N 0.958 109.769 108.800 0.018 0.000 2.594 174 G HA2 -0.145 3.815 3.960 0.000 0.000 0.297 174 G HA3 -0.145 3.815 3.960 0.000 0.000 0.297 174 G C -0.587 174.243 174.900 -0.117 0.000 1.273 174 G CA 1.139 46.238 45.100 -0.001 0.000 0.974 174 G HN 0.711 nan 8.290 nan 0.000 0.552 175 P HA -0.024 nan 4.420 nan 0.000 0.216 175 P C 2.181 179.380 177.300 -0.169 0.000 1.150 175 P CA 3.145 65.962 63.100 -0.472 0.000 0.843 175 P CB -0.320 31.086 31.700 -0.489 0.000 0.787 176 A N -0.722 122.024 122.820 -0.123 0.000 1.933 176 A HA -0.172 4.148 4.320 0.000 0.000 0.218 176 A C 2.107 179.663 177.584 -0.045 0.000 1.175 176 A CA 1.428 53.422 52.037 -0.072 0.000 0.628 176 A CB -1.605 17.360 19.000 -0.059 0.000 0.814 176 A HN 0.171 nan 8.150 nan 0.000 0.444 177 L N 0.043 121.248 121.223 -0.031 0.000 2.056 177 L HA -0.126 4.214 4.340 0.000 0.000 0.207 177 L C 1.545 178.414 176.870 -0.002 0.000 1.078 177 L CA 2.408 57.242 54.840 -0.011 0.000 0.749 177 L CB -0.681 41.382 42.059 0.006 0.000 0.901 177 L HN 0.320 nan 8.230 nan 0.000 0.433 178 D N -0.102 120.309 120.400 0.019 0.000 2.144 178 D HA -0.113 4.527 4.640 0.000 0.000 0.200 178 D C 2.181 178.481 176.300 -0.000 0.000 0.978 178 D CA 1.436 55.458 54.000 0.037 0.000 0.833 178 D CB -0.089 40.786 40.800 0.125 0.000 0.961 178 D HN 0.494 nan 8.370 nan 0.000 0.470 179 A N 1.168 123.976 122.820 -0.020 0.000 1.902 179 A HA -0.204 4.116 4.320 0.000 0.000 0.217 179 A C 2.089 179.647 177.584 -0.044 0.000 1.181 179 A CA 1.414 53.429 52.037 -0.036 0.000 0.623 179 A CB -0.508 18.464 19.000 -0.046 0.000 0.818 179 A HN 0.181 nan 8.150 nan 0.000 0.443 180 E N -0.478 119.698 120.200 -0.040 0.000 2.058 180 E HA -0.223 4.127 4.350 0.000 0.000 0.194 180 E C 2.342 178.914 176.600 -0.048 0.000 0.997 180 E CA 1.336 57.710 56.400 -0.042 0.000 0.801 180 E CB -0.192 29.487 29.700 -0.034 0.000 0.746 180 E HN 0.539 nan 8.360 nan 0.000 0.450 181 R N 0.347 120.823 120.500 -0.039 0.000 2.096 181 R HA -0.162 4.179 4.340 0.000 0.000 0.240 181 R C 2.422 178.684 176.300 -0.064 0.000 1.139 181 R CA 1.375 57.450 56.100 -0.043 0.000 0.952 181 R CB -0.368 29.918 30.300 -0.025 0.000 0.854 181 R HN 0.215 nan 8.270 nan 0.000 0.436 182 I N 0.271 120.801 120.570 -0.067 0.000 2.202 182 I HA -0.276 3.894 4.170 0.000 0.000 0.242 182 I C 2.642 178.676 176.117 -0.139 0.000 1.091 182 I CA 1.788 63.028 61.300 -0.099 0.000 1.368 182 I CB -0.623 37.326 38.000 -0.086 0.000 1.058 182 I HN 0.375 nan 8.210 nan 0.000 0.410 183 T N -0.618 113.870 114.554 -0.110 0.000 2.788 183 T HA -0.128 4.222 4.350 0.000 0.000 0.268 183 T C 1.987 176.612 174.700 -0.125 0.000 1.044 183 T CA 1.054 63.084 62.100 -0.117 0.000 1.139 183 T CB -0.562 68.256 68.868 -0.084 0.000 0.867 183 T HN 0.340 nan 8.240 nan 0.000 0.454 184 A N 0.684 123.441 122.820 -0.104 0.000 1.898 184 A HA -0.012 4.308 4.320 0.000 0.000 0.216 184 A C 2.764 180.273 177.584 -0.124 0.000 1.181 184 A CA 1.427 53.406 52.037 -0.096 0.000 0.620 184 A CB -1.418 17.538 19.000 -0.072 0.000 0.819 184 A HN 0.699 nan 8.150 nan 0.000 0.442 185 C N -0.529 118.683 119.300 -0.146 0.000 2.419 185 C HA 0.014 4.474 4.460 0.000 0.000 0.281 185 C C 2.306 177.109 174.990 -0.312 0.000 1.336 185 C CA 0.864 59.780 59.018 -0.171 0.000 1.770 185 C CB -1.256 26.409 27.740 -0.124 0.000 1.929 185 C HN 0.585 nan 8.230 nan 0.000 0.509 186 L N 0.352 121.328 121.223 -0.411 0.000 2.567 186 L HA 0.130 4.470 4.340 0.000 0.000 0.225 186 L C 2.659 179.368 176.870 -0.267 0.000 1.119 186 L CA 0.646 55.152 54.840 -0.557 0.000 0.871 186 L CB -0.845 40.876 42.059 -0.564 0.000 1.036 186 L HN 0.216 nan 8.230 nan 0.000 0.459 187 A N 0.366 123.080 122.820 -0.175 0.000 1.978 187 A HA -0.194 4.126 4.320 0.000 0.000 0.220 187 A C 1.406 178.951 177.584 -0.065 0.000 1.170 187 A CA 1.718 53.693 52.037 -0.104 0.000 0.636 187 A CB -0.230 18.720 19.000 -0.082 0.000 0.810 187 A HN 0.392 nan 8.150 nan 0.000 0.448 188 D N -0.677 119.692 120.400 -0.051 0.000 2.501 188 D HA 0.093 4.733 4.640 0.000 0.000 0.226 188 D C 0.156 176.473 176.300 0.030 0.000 1.198 188 D CA -0.262 53.733 54.000 -0.009 0.000 0.830 188 D CB -0.031 40.767 40.800 -0.002 0.000 1.014 188 D HN 0.670 nan 8.370 nan 0.000 0.496 189 R N 0.763 121.281 120.500 0.030 0.000 2.570 189 R HA 0.138 4.478 4.340 0.000 0.000 0.277 189 R C -0.024 176.340 176.300 0.107 0.000 1.039 189 R CA 0.043 56.214 56.100 0.119 0.000 1.065 189 R CB 0.717 31.098 30.300 0.136 0.000 0.964 189 R HN -0.208 nan 8.270 nan 0.000 0.428 190 Q N 2.320 122.202 119.800 0.137 0.000 2.248 190 Q HA 0.423 4.763 4.340 0.000 0.000 0.263 190 Q C -2.283 173.786 176.000 0.114 0.000 1.007 190 Q CA -2.519 53.346 55.803 0.104 0.000 0.877 190 Q CB 1.229 30.023 28.738 0.095 0.000 1.315 190 Q HN 0.540 nan 8.270 nan 0.000 0.454 191 P HA 0.044 nan 4.420 nan 0.000 0.265 191 P C 0.391 177.746 177.300 0.092 0.000 1.187 191 P CA 1.126 64.276 63.100 0.084 0.000 0.766 191 P CB 0.300 32.035 31.700 0.059 0.000 0.820 192 G N 0.808 109.668 108.800 0.101 0.000 2.141 192 G HA2 -0.210 3.750 3.960 0.000 0.000 0.242 192 G HA3 -0.210 3.750 3.960 0.000 0.000 0.242 192 G C 0.003 174.976 174.900 0.122 0.000 0.982 192 G CA -0.276 44.880 45.100 0.094 0.000 0.662 192 G HN 0.551 nan 8.290 nan 0.000 0.527 193 E N -1.747 118.557 120.200 0.173 0.000 2.254 193 E HA 0.660 5.010 4.350 0.000 0.000 0.261 193 E C -0.625 176.138 176.600 0.271 0.000 1.051 193 E CA -0.882 55.631 56.400 0.188 0.000 0.902 193 E CB 1.290 31.134 29.700 0.239 0.000 1.168 193 E HN 0.290 nan 8.360 nan 0.000 0.423 194 W N 1.395 122.626 121.300 -0.116 0.000 3.259 194 W HA 0.373 5.033 4.660 0.000 0.000 0.331 194 W C -2.091 174.297 176.519 -0.218 0.000 1.144 194 W CA -0.394 56.925 57.345 -0.042 0.000 1.227 194 W CB 0.989 30.424 29.460 -0.042 0.000 1.371 194 W HN 0.395 nan 8.180 nan 0.000 0.491 195 Y N 5.837 125.783 120.300 -0.590 0.000 2.391 195 Y HA 0.623 5.173 4.550 0.000 0.000 0.341 195 Y C -0.486 174.900 175.900 -0.857 0.000 0.965 195 Y CA -1.100 56.695 58.100 -0.508 0.000 1.067 195 Y CB 1.961 40.279 38.460 -0.236 0.000 1.199 195 Y HN 0.216 nan 8.280 nan 0.000 0.450 196 L N 3.206 124.119 121.223 -0.517 0.000 2.319 196 L HA 0.745 5.085 4.340 0.000 0.000 0.281 196 L C -0.461 176.321 176.870 -0.146 0.000 1.005 196 L CA -0.937 53.659 54.840 -0.406 0.000 0.828 196 L CB 1.321 43.190 42.059 -0.318 0.000 1.227 196 L HN 0.826 nan 8.230 nan 0.000 0.415 197 A N 2.776 125.529 122.820 -0.112 0.000 2.279 197 A HA 0.315 4.635 4.320 0.000 0.000 0.306 197 A C -0.652 176.906 177.584 -0.042 0.000 1.300 197 A CA -0.431 51.572 52.037 -0.057 0.000 0.925 197 A CB 0.235 19.204 19.000 -0.052 0.000 1.152 197 A HN 0.622 nan 8.150 nan 0.000 0.544 198 D N 3.029 123.412 120.400 -0.028 0.000 2.373 198 D HA 0.506 5.146 4.640 0.000 0.000 0.227 198 D C 0.722 177.014 176.300 -0.013 0.000 1.091 198 D CA 0.186 54.176 54.000 -0.017 0.000 0.840 198 D CB 1.523 42.314 40.800 -0.014 0.000 1.060 198 D HN 0.409 nan 8.370 nan 0.000 0.502 199 A N 3.799 126.610 122.820 -0.015 0.000 2.275 199 A HA 0.086 4.406 4.320 0.000 0.000 0.212 199 A C 0.825 178.403 177.584 -0.010 0.000 1.201 199 A CA -0.158 51.864 52.037 -0.025 0.000 0.843 199 A CB -0.681 18.290 19.000 -0.048 0.000 0.873 199 A HN 0.800 nan 8.150 nan 0.000 0.492 200 N N 0.784 119.494 118.700 0.017 0.000 2.699 200 N HA -0.230 4.510 4.740 0.000 0.000 0.256 200 N C 0.006 175.536 175.510 0.034 0.000 0.993 200 N CA 0.848 53.931 53.050 0.056 0.000 0.759 200 N CB -1.676 36.862 38.487 0.085 0.000 0.906 200 N HN 0.701 nan 8.380 nan 0.000 0.541 201 N N -2.938 115.764 118.700 0.004 0.000 2.741 201 N HA -0.208 4.532 4.740 0.000 0.000 0.250 201 N C 0.815 176.313 175.510 -0.021 0.000 1.115 201 N CA 0.596 53.638 53.050 -0.013 0.000 0.724 201 N CB -0.897 37.582 38.487 -0.013 0.000 1.090 201 N HN 0.664 nan 8.380 nan 0.000 0.558 202 G N -0.493 108.284 108.800 -0.039 0.000 3.159 202 G HA2 0.341 4.301 3.960 0.000 0.000 0.232 202 G HA3 0.341 4.301 3.960 0.000 0.000 0.232 202 G C 0.359 175.183 174.900 -0.125 0.000 1.116 202 G CA -0.136 44.928 45.100 -0.059 0.000 0.767 202 G HN 0.146 nan 8.290 nan 0.000 0.547 203 L N 2.159 123.294 121.223 -0.147 0.000 2.322 203 L HA 0.425 4.765 4.340 0.000 0.000 0.279 203 L C 0.858 177.673 176.870 -0.092 0.000 1.036 203 L CA -0.960 53.744 54.840 -0.225 0.000 0.807 203 L CB 1.491 43.409 42.059 -0.235 0.000 1.226 203 L HN 0.047 nan 8.230 nan 0.000 0.433 204 T N -1.261 113.264 114.554 -0.048 0.000 2.802 204 T HA 0.146 4.496 4.350 0.000 0.000 0.305 204 T C 1.305 176.027 174.700 0.036 0.000 1.053 204 T CA -0.829 61.279 62.100 0.012 0.000 1.058 204 T CB 1.373 70.266 68.868 0.041 0.000 0.988 204 T HN 0.280 nan 8.240 nan 0.000 0.539 205 V N 1.065 120.995 119.914 0.027 0.000 2.343 205 V HA -0.130 3.990 4.120 0.000 0.000 0.247 205 V C 2.904 179.024 176.094 0.045 0.000 1.051 205 V CA 2.095 64.411 62.300 0.026 0.000 1.036 205 V CB -0.993 30.837 31.823 0.012 0.000 0.654 205 V HN 1.042 nan 8.190 nan 0.000 0.451 206 E N 0.249 120.477 120.200 0.048 0.000 2.058 206 E HA -0.325 4.025 4.350 0.000 0.000 0.194 206 E C 2.163 178.805 176.600 0.069 0.000 0.997 206 E CA 2.280 58.706 56.400 0.045 0.000 0.801 206 E CB -0.250 29.471 29.700 0.036 0.000 0.746 206 E HN 0.844 nan 8.360 nan 0.000 0.450 207 H N -0.294 118.771 119.070 -0.008 0.000 2.321 207 H HA -0.075 4.482 4.556 0.000 0.000 0.300 207 H C 1.985 177.306 175.328 -0.013 0.000 1.087 207 H CA 2.224 58.266 56.048 -0.009 0.000 1.319 207 H CB -0.098 29.660 29.762 -0.006 0.000 1.379 207 H HN 0.238 nan 8.280 nan 0.000 0.501 208 A N 0.892 123.852 122.820 0.234 0.000 1.877 208 A HA -0.137 4.183 4.320 0.000 0.000 0.216 208 A C 2.521 180.140 177.584 0.059 0.000 1.186 208 A CA 1.619 53.743 52.037 0.145 0.000 0.620 208 A CB -0.928 18.113 19.000 0.069 0.000 0.822 208 A HN 0.490 nan 8.150 nan 0.000 0.443 209 L N -1.174 120.068 121.223 0.033 0.000 2.046 209 L HA -0.223 4.117 4.340 0.000 0.000 0.208 209 L C 2.894 179.756 176.870 -0.013 0.000 1.077 209 L CA 1.660 56.503 54.840 0.006 0.000 0.747 209 L CB -0.523 41.538 42.059 0.003 0.000 0.896 209 L HN 0.366 nan 8.230 nan 0.000 0.432 210 R N -0.463 120.019 120.500 -0.029 0.000 2.083 210 R HA -0.207 4.133 4.340 0.000 0.000 0.237 210 R C 2.334 178.588 176.300 -0.077 0.000 1.137 210 R CA 1.745 57.806 56.100 -0.065 0.000 0.951 210 R CB -0.397 29.841 30.300 -0.104 0.000 0.851 210 R HN 0.333 nan 8.270 nan 0.000 0.434 211 M N 0.447 119.997 119.600 -0.084 0.000 2.108 211 M HA -0.184 4.296 4.480 0.000 0.000 0.261 211 M C 1.516 177.796 176.300 -0.033 0.000 1.066 211 M CA 1.572 56.835 55.300 -0.061 0.000 1.107 211 M CB 0.031 32.630 32.600 -0.002 0.000 1.356 211 M HN 0.096 nan 8.290 nan 0.000 0.406 212 L N -0.090 121.122 121.223 -0.018 0.000 2.083 212 L HA -0.163 4.177 4.340 0.000 0.000 0.209 212 L C 2.764 179.619 176.870 -0.025 0.000 1.083 212 L CA 1.986 56.815 54.840 -0.019 0.000 0.752 212 L CB -1.659 40.392 42.059 -0.012 0.000 0.899 212 L HN 0.417 nan 8.230 nan 0.000 0.433 213 S N -1.077 114.607 115.700 -0.028 0.000 2.383 213 S HA -0.096 4.374 4.470 0.000 0.000 0.227 213 S C 2.037 176.617 174.600 -0.033 0.000 1.026 213 S CA 0.789 58.972 58.200 -0.029 0.000 0.981 213 S CB -0.074 63.109 63.200 -0.028 0.000 0.818 213 S HN 0.384 nan 8.310 nan 0.000 0.472 214 L N 1.021 122.219 121.223 -0.041 0.000 2.217 214 L HA 0.176 4.516 4.340 0.000 0.000 0.211 214 L C 0.629 177.474 176.870 -0.041 0.000 1.107 214 L CA 0.222 55.036 54.840 -0.044 0.000 0.783 214 L CB -0.324 41.702 42.059 -0.055 0.000 0.919 214 L HN 0.260 nan 8.230 nan 0.000 0.442 215 L N 1.613 122.812 121.223 -0.040 0.000 2.453 215 L HA 0.100 4.441 4.340 0.000 0.000 0.272 215 L C -1.649 175.197 176.870 -0.039 0.000 1.182 215 L CA -1.598 53.216 54.840 -0.042 0.000 0.858 215 L CB -0.114 41.919 42.059 -0.043 0.000 1.120 215 L HN -0.063 nan 8.230 nan 0.000 0.474 216 P HA 0.168 nan 4.420 nan 0.000 0.272 216 P C -2.547 174.731 177.300 -0.036 0.000 1.230 216 P CA -1.131 61.946 63.100 -0.038 0.000 0.788 216 P CB -0.277 31.398 31.700 -0.043 0.000 0.949 217 P HA 0.134 nan 4.420 nan 0.000 0.274 217 P C 0.671 177.955 177.300 -0.027 0.000 1.237 217 P CA 0.368 63.453 63.100 -0.025 0.000 0.793 217 P CB 0.186 31.874 31.700 -0.019 0.000 0.977 218 G N 0.203 108.990 108.800 -0.022 0.000 2.132 218 G HA2 -0.181 3.779 3.960 0.000 0.000 0.234 218 G HA3 -0.181 3.779 3.960 0.000 0.000 0.234 218 G C -0.148 174.735 174.900 -0.027 0.000 0.989 218 G CA -0.230 44.859 45.100 -0.020 0.000 0.676 218 G HN 0.454 nan 8.290 nan 0.000 0.522 219 L N 0.636 121.836 121.223 -0.038 0.000 2.375 219 L HA 0.507 4.847 4.340 0.000 0.000 0.271 219 L C 0.123 176.970 176.870 -0.038 0.000 1.107 219 L CA -0.726 54.081 54.840 -0.056 0.000 0.806 219 L CB 1.089 43.100 42.059 -0.080 0.000 1.146 219 L HN 0.116 nan 8.230 nan 0.000 0.447 220 D N 3.564 123.942 120.400 -0.037 0.000 2.485 220 D HA 0.416 5.057 4.640 0.000 0.000 0.221 220 D C -1.151 175.126 176.300 -0.038 0.000 1.112 220 D CA -0.186 53.812 54.000 -0.002 0.000 0.911 220 D CB 0.680 41.511 40.800 0.052 0.000 1.019 220 D HN 0.259 nan 8.370 nan 0.000 0.516 221 I N 3.139 123.671 120.570 -0.064 0.000 2.722 221 I HA 0.394 4.564 4.170 0.000 0.000 0.295 221 I C -1.546 174.500 176.117 -0.118 0.000 1.161 221 I CA -0.769 60.461 61.300 -0.116 0.000 1.032 221 I CB 2.236 40.170 38.000 -0.111 0.000 1.244 221 I HN 0.035 nan 8.210 nan 0.000 0.421 222 V N 7.186 126.978 119.914 -0.203 0.000 2.435 222 V HA 0.466 4.586 4.120 0.000 0.000 0.290 222 V C -0.510 175.516 176.094 -0.114 0.000 1.030 222 V CA -0.751 61.468 62.300 -0.134 0.000 0.881 222 V CB 1.481 33.224 31.823 -0.133 0.000 0.983 222 V HN 0.608 nan 8.190 nan 0.000 0.445 223 L N 4.531 125.720 121.223 -0.057 0.000 2.264 223 L HA 0.530 4.870 4.340 0.000 0.000 0.289 223 L C -0.033 176.819 176.870 -0.030 0.000 1.044 223 L CA 0.304 55.117 54.840 -0.046 0.000 0.807 223 L CB 1.113 43.152 42.059 -0.034 0.000 1.192 223 L HN 0.840 nan 8.230 nan 0.000 0.425 224 E N 5.180 125.363 120.200 -0.028 0.000 2.166 224 E HA 0.581 4.931 4.350 0.000 0.000 0.275 224 E C -0.016 176.576 176.600 -0.013 0.000 0.941 224 E CA -0.279 56.116 56.400 -0.009 0.000 0.784 224 E CB 1.305 31.009 29.700 0.007 0.000 1.115 224 E HN 1.005 nan 8.360 nan 0.000 0.399 225 A N 5.112 127.922 122.820 -0.017 0.000 2.362 225 A HA -0.115 4.205 4.320 0.000 0.000 0.290 225 A C -1.848 175.717 177.584 -0.031 0.000 1.441 225 A CA 0.510 52.534 52.037 -0.021 0.000 0.743 225 A CB -1.287 17.719 19.000 0.009 0.000 1.125 225 A HN 0.727 nan 8.150 nan 0.000 0.378 226 P HA 0.031 nan 4.420 nan 0.000 0.220 226 P C 0.589 177.859 177.300 -0.050 0.000 1.152 226 P CA 1.229 64.302 63.100 -0.045 0.000 0.812 226 P CB 0.031 31.705 31.700 -0.042 0.000 0.792 227 C N -1.305 117.965 119.300 -0.050 0.000 2.848 227 C HA 0.695 5.155 4.460 0.000 0.000 0.317 227 C C 1.938 176.912 174.990 -0.027 0.000 1.260 227 C CA -0.128 58.866 59.018 -0.040 0.000 1.656 227 C CB 1.236 28.952 27.740 -0.040 0.000 2.174 227 C HN 0.139 nan 8.230 nan 0.000 0.479 228 A N 0.778 123.591 122.820 -0.012 0.000 2.119 228 A HA 0.267 4.587 4.320 0.000 0.000 0.216 228 A C 0.922 178.521 177.584 0.026 0.000 1.152 228 A CA 1.264 53.303 52.037 0.003 0.000 0.708 228 A CB -0.255 18.748 19.000 0.005 0.000 0.805 228 A HN 1.128 nan 8.150 nan 0.000 0.460 229 S N -3.767 111.956 115.700 0.038 0.000 2.627 229 S HA 0.391 4.861 4.470 0.000 0.000 0.283 229 S C 0.445 175.117 174.600 0.120 0.000 1.127 229 S CA -0.541 57.715 58.200 0.093 0.000 0.863 229 S CB 0.475 63.728 63.200 0.088 0.000 1.121 229 S HN 0.362 nan 8.310 nan 0.000 0.479 230 W N 1.242 122.538 121.300 -0.007 0.000 2.335 230 W HA -0.132 4.528 4.660 0.000 0.000 0.311 230 W C 2.242 178.761 176.519 0.000 0.000 1.213 230 W CA 2.299 59.642 57.345 -0.003 0.000 1.274 230 W CB -0.832 28.627 29.460 -0.002 0.000 1.148 230 W HN 0.932 nan 8.180 nan 0.000 0.498 231 A N 0.387 123.355 122.820 0.246 0.000 1.933 231 A HA -0.233 4.087 4.320 0.000 0.000 0.218 231 A C 1.807 179.421 177.584 0.049 0.000 1.175 231 A CA 1.924 54.046 52.037 0.142 0.000 0.628 231 A CB -0.879 18.193 19.000 0.120 0.000 0.814 231 A HN 0.451 nan 8.150 nan 0.000 0.444 232 E N -0.864 119.355 120.200 0.032 0.000 2.047 232 E HA -0.121 4.229 4.350 0.000 0.000 0.191 232 E C 2.081 178.657 176.600 -0.040 0.000 0.987 232 E CA 1.612 58.013 56.400 0.000 0.000 0.799 232 E CB -0.293 29.408 29.700 0.003 0.000 0.752 232 E HN 0.591 nan 8.360 nan 0.000 0.449 233 T N 1.080 115.581 114.554 -0.087 0.000 2.746 233 T HA -0.180 4.170 4.350 0.000 0.000 0.267 233 T C 1.794 176.393 174.700 -0.168 0.000 1.039 233 T CA 1.269 63.274 62.100 -0.159 0.000 1.142 233 T CB -0.109 68.595 68.868 -0.274 0.000 0.866 233 T HN 0.077 nan 8.240 nan 0.000 0.444 234 K N 0.674 120.972 120.400 -0.169 0.000 2.097 234 K HA -0.086 4.234 4.320 0.000 0.000 0.206 234 K C 2.694 179.264 176.600 -0.050 0.000 1.049 234 K CA 1.301 57.522 56.287 -0.111 0.000 0.933 234 K CB -0.238 32.242 32.500 -0.034 0.000 0.717 234 K HN 0.205 nan 8.250 nan 0.000 0.442 235 S N 0.552 116.234 115.700 -0.030 0.000 2.355 235 S HA -0.129 4.341 4.470 0.000 0.000 0.222 235 S C 1.860 176.447 174.600 -0.021 0.000 1.031 235 S CA 1.067 59.258 58.200 -0.014 0.000 0.993 235 S CB -0.264 62.934 63.200 -0.002 0.000 0.859 235 S HN 0.346 nan 8.310 nan 0.000 0.453 236 L N 2.226 123.429 121.223 -0.032 0.000 2.046 236 L HA 0.048 4.388 4.340 0.000 0.000 0.208 236 L C 2.369 179.218 176.870 -0.036 0.000 1.077 236 L CA 2.072 56.894 54.840 -0.030 0.000 0.747 236 L CB -0.966 41.071 42.059 -0.035 0.000 0.896 236 L HN 0.251 nan 8.230 nan 0.000 0.432 237 R N 0.480 120.947 120.500 -0.054 0.000 2.119 237 R HA -0.164 4.176 4.340 0.000 0.000 0.246 237 R C 2.108 178.389 176.300 -0.031 0.000 1.146 237 R CA 1.854 57.923 56.100 -0.053 0.000 0.962 237 R CB -1.101 29.152 30.300 -0.078 0.000 0.863 237 R HN 0.512 nan 8.270 nan 0.000 0.442 238 A N -0.227 122.578 122.820 -0.024 0.000 2.019 238 A HA -0.073 4.247 4.320 0.000 0.000 0.219 238 A C 1.617 179.196 177.584 -0.010 0.000 1.164 238 A CA 1.584 53.614 52.037 -0.012 0.000 0.644 238 A CB -0.194 18.802 19.000 -0.006 0.000 0.805 238 A HN 0.359 nan 8.150 nan 0.000 0.449 239 R N -2.143 118.350 120.500 -0.012 0.000 2.659 239 R HA 0.263 4.603 4.340 0.000 0.000 0.418 239 R C -1.002 175.292 176.300 -0.011 0.000 1.076 239 R CA -0.100 55.995 56.100 -0.009 0.000 1.093 239 R CB 0.730 31.026 30.300 -0.006 0.000 1.400 239 R HN 0.364 nan 8.270 nan 0.000 0.583 240 C N -0.198 119.094 119.300 -0.013 0.000 2.397 240 C HA 0.633 5.093 4.460 0.000 0.000 0.325 240 C C 1.229 176.211 174.990 -0.012 0.000 1.201 240 C CA -0.389 58.621 59.018 -0.014 0.000 1.377 240 C CB 0.974 28.703 27.740 -0.020 0.000 2.038 240 C HN 0.596 nan 8.230 nan 0.000 0.457 241 A N 4.749 127.563 122.820 -0.010 0.000 2.195 241 A HA 0.337 4.657 4.320 0.000 0.000 0.210 241 A C 0.492 178.073 177.584 -0.004 0.000 1.165 241 A CA 0.381 52.415 52.037 -0.006 0.000 0.806 241 A CB -0.150 18.848 19.000 -0.005 0.000 0.847 241 A HN 0.692 nan 8.150 nan 0.000 0.482 242 L N 1.206 122.424 121.223 -0.008 0.000 2.417 242 L HA 0.315 4.655 4.340 0.000 0.000 0.268 242 L C -2.043 174.826 176.870 -0.002 0.000 1.158 242 L CA -2.031 52.804 54.840 -0.008 0.000 0.819 242 L CB 0.006 42.054 42.059 -0.018 0.000 1.112 242 L HN 0.066 nan 8.230 nan 0.000 0.458 243 P HA 0.101 nan 4.420 nan 0.000 0.268 243 P C -0.868 176.438 177.300 0.010 0.000 1.205 243 P CA -0.305 62.809 63.100 0.023 0.000 0.771 243 P CB 0.637 32.372 31.700 0.058 0.000 0.858 244 L N 3.811 125.036 121.223 0.002 0.000 2.322 244 L HA 0.504 4.845 4.340 0.000 0.000 0.281 244 L C -0.464 176.405 176.870 -0.002 0.000 1.014 244 L CA -0.556 54.275 54.840 -0.015 0.000 0.815 244 L CB 1.354 43.387 42.059 -0.043 0.000 1.247 244 L HN 0.292 nan 8.230 nan 0.000 0.421 245 L N 4.944 126.170 121.223 0.005 0.000 2.333 245 L HA 0.602 4.942 4.340 0.000 0.000 0.280 245 L C -1.296 175.573 176.870 -0.003 0.000 1.004 245 L CA -0.365 54.488 54.840 0.022 0.000 0.820 245 L CB 1.248 43.351 42.059 0.073 0.000 1.247 245 L HN 0.500 nan 8.230 nan 0.000 0.416 246 L N 4.586 125.801 121.223 -0.014 0.000 2.325 246 L HA 0.442 4.782 4.340 0.000 0.000 0.279 246 L C -0.280 176.599 176.870 0.015 0.000 1.054 246 L CA -0.315 54.509 54.840 -0.026 0.000 0.804 246 L CB 1.619 43.633 42.059 -0.075 0.000 1.200 246 L HN 0.683 nan 8.230 nan 0.000 0.436 247 D N 0.401 120.814 120.400 0.022 0.000 3.054 247 D HA -0.009 4.631 4.640 0.000 0.000 0.209 247 D C 1.435 177.753 176.300 0.030 0.000 1.527 247 D CA 0.268 54.301 54.000 0.054 0.000 1.427 247 D CB 0.284 41.139 40.800 0.092 0.000 1.059 247 D HN 0.497 nan 8.370 nan 0.000 0.243 248 E N 0.466 120.649 120.200 -0.028 0.000 2.114 248 E HA -0.133 4.218 4.350 0.000 0.000 0.199 248 E C 2.045 178.621 176.600 -0.040 0.000 1.008 248 E CA 1.049 57.362 56.400 -0.144 0.000 0.810 248 E CB -0.229 29.355 29.700 -0.194 0.000 0.739 248 E HN 0.330 nan 8.360 nan 0.000 0.456 249 L N 0.411 121.652 121.223 0.030 0.000 2.551 249 L HA -0.010 4.330 4.340 0.000 0.000 0.228 249 L C 0.213 177.216 176.870 0.221 0.000 1.153 249 L CA 0.075 55.005 54.840 0.149 0.000 0.851 249 L CB -0.027 42.129 42.059 0.162 0.000 0.959 249 L HN 0.106 nan 8.230 nan 0.000 0.451 250 I N 0.169 120.818 120.570 0.132 0.000 2.359 250 I HA 0.158 4.328 4.170 0.000 0.000 0.284 250 I C 0.433 176.602 176.117 0.086 0.000 1.018 250 I CA 0.270 61.651 61.300 0.135 0.000 1.173 250 I CB 1.403 39.469 38.000 0.110 0.000 1.326 250 I HN 0.225 nan 8.210 nan 0.000 0.462 251 Q N 2.506 122.355 119.800 0.083 0.000 2.527 251 Q HA 0.097 4.437 4.340 0.000 0.000 0.252 251 Q C 0.681 176.731 176.000 0.084 0.000 0.827 251 Q CA 0.283 56.129 55.803 0.071 0.000 0.979 251 Q CB 1.124 29.893 28.738 0.052 0.000 1.248 251 Q HN 0.773 nan 8.270 nan 0.000 0.578 252 T N -1.859 112.743 114.554 0.079 0.000 2.948 252 T HA 0.290 4.640 4.350 0.000 0.000 0.285 252 T C 0.567 175.308 174.700 0.067 0.000 1.019 252 T CA -0.563 61.591 62.100 0.089 0.000 1.013 252 T CB 1.713 70.629 68.868 0.080 0.000 1.117 252 T HN -0.131 nan 8.240 nan 0.000 0.533 253 E N 0.543 120.782 120.200 0.064 0.000 2.110 253 E HA -0.059 4.291 4.350 0.000 0.000 0.193 253 E C 2.372 178.994 176.600 0.037 0.000 0.988 253 E CA 1.958 58.380 56.400 0.038 0.000 0.804 253 E CB -0.729 28.986 29.700 0.025 0.000 0.745 253 E HN 0.926 nan 8.360 nan 0.000 0.458 254 T N -0.721 113.853 114.554 0.033 0.000 2.833 254 T HA -0.166 4.185 4.350 0.000 0.000 0.269 254 T C 1.284 175.975 174.700 -0.016 0.000 1.054 254 T CA 1.283 63.386 62.100 0.005 0.000 1.135 254 T CB -0.248 68.613 68.868 -0.012 0.000 0.869 254 T HN -0.061 nan 8.240 nan 0.000 0.466 255 D N 1.146 121.546 120.400 -0.001 0.000 2.123 255 D HA -0.029 4.611 4.640 0.000 0.000 0.196 255 D C 1.981 178.379 176.300 0.162 0.000 0.992 255 D CA 0.628 54.643 54.000 0.025 0.000 0.833 255 D CB -0.384 40.476 40.800 0.101 0.000 0.954 255 D HN 0.239 nan 8.370 nan 0.000 0.455 256 L N 0.974 122.270 121.223 0.122 0.000 2.056 256 L HA -0.117 4.223 4.340 0.000 0.000 0.207 256 L C 2.163 179.102 176.870 0.115 0.000 1.078 256 L CA 0.969 55.883 54.840 0.123 0.000 0.749 256 L CB -0.622 41.478 42.059 0.069 0.000 0.901 256 L HN 0.003 nan 8.230 nan 0.000 0.433 257 I N -0.306 120.309 120.570 0.075 0.000 2.163 257 I HA -0.290 3.880 4.170 0.000 0.000 0.243 257 I C 2.661 178.832 176.117 0.089 0.000 1.085 257 I CA 1.565 62.902 61.300 0.062 0.000 1.347 257 I CB -1.882 36.136 38.000 0.030 0.000 1.044 257 I HN 0.240 nan 8.210 nan 0.000 0.408 258 A N 0.826 123.697 122.820 0.084 0.000 1.902 258 A HA -0.110 4.211 4.320 0.000 0.000 0.217 258 A C 2.578 180.405 177.584 0.405 0.000 1.181 258 A CA 2.048 54.154 52.037 0.116 0.000 0.623 258 A CB -0.789 18.079 19.000 -0.220 0.000 0.818 258 A HN 0.429 nan 8.150 nan 0.000 0.443 259 A N -0.115 123.001 122.820 0.493 0.000 1.902 259 A HA -0.072 4.249 4.320 0.000 0.000 0.217 259 A C 2.107 179.792 177.584 0.169 0.000 1.181 259 A CA 1.530 53.775 52.037 0.347 0.000 0.623 259 A CB -0.585 18.546 19.000 0.219 0.000 0.818 259 A HN 0.503 nan 8.150 nan 0.000 0.443 260 I N -1.126 119.526 120.570 0.136 0.000 2.179 260 I HA -0.234 3.936 4.170 0.000 0.000 0.242 260 I C 2.636 178.804 176.117 0.085 0.000 1.088 260 I CA 1.728 63.079 61.300 0.085 0.000 1.357 260 I CB -0.253 37.786 38.000 0.064 0.000 1.051 260 I HN 0.290 nan 8.210 nan 0.000 0.409 261 R N 1.182 121.742 120.500 0.101 0.000 2.105 261 R HA -0.192 4.149 4.340 0.000 0.000 0.239 261 R C 1.417 177.777 176.300 0.100 0.000 1.135 261 R CA 1.766 57.918 56.100 0.087 0.000 0.967 261 R CB -0.318 30.030 30.300 0.080 0.000 0.861 261 R HN 0.264 nan 8.270 nan 0.000 0.442 262 D N 0.029 120.517 120.400 0.147 0.000 2.339 262 D HA -0.015 4.625 4.640 0.000 0.000 0.217 262 D C -0.259 176.082 176.300 0.067 0.000 1.050 262 D CA 0.477 54.559 54.000 0.137 0.000 0.856 262 D CB -0.109 40.839 40.800 0.247 0.000 0.922 262 D HN 0.246 nan 8.370 nan 0.000 0.518 263 D N 0.268 120.701 120.400 0.055 0.000 2.704 263 D HA -0.219 4.421 4.640 0.000 0.000 0.232 263 D C 0.875 177.169 176.300 -0.010 0.000 1.183 263 D CA 0.076 54.090 54.000 0.024 0.000 0.647 263 D CB -0.972 39.840 40.800 0.020 0.000 1.013 263 D HN 0.178 nan 8.370 nan 0.000 0.415 264 L N -0.213 120.990 121.223 -0.034 0.000 2.307 264 L HA 0.221 4.561 4.340 0.000 0.000 0.211 264 L C 0.914 177.710 176.870 -0.124 0.000 1.099 264 L CA 1.465 56.228 54.840 -0.127 0.000 0.816 264 L CB 0.317 42.206 42.059 -0.282 0.000 0.952 264 L HN 0.662 nan 8.230 nan 0.000 0.455 265 C N -3.963 115.293 119.300 -0.073 0.000 3.288 265 C HA 0.515 4.975 4.460 0.000 0.000 0.318 265 C C 0.230 175.210 174.990 -0.016 0.000 1.356 265 C CA -0.740 58.246 59.018 -0.054 0.000 1.359 265 C CB 1.026 28.723 27.740 -0.072 0.000 1.688 265 C HN 0.270 nan 8.230 nan 0.000 0.467 266 D N 0.261 120.661 120.400 -0.001 0.000 2.433 266 D HA 0.382 5.023 4.640 0.000 0.000 0.211 266 D C 0.628 176.944 176.300 0.025 0.000 1.114 266 D CA 0.731 54.741 54.000 0.016 0.000 0.837 266 D CB 1.360 42.177 40.800 0.028 0.000 0.984 266 D HN 1.092 nan 8.370 nan 0.000 0.505 267 G N 0.269 109.083 108.800 0.024 0.000 2.646 267 G HA2 0.448 4.408 3.960 0.000 0.000 0.291 267 G HA3 0.448 4.408 3.960 0.000 0.000 0.291 267 G C -2.001 172.916 174.900 0.027 0.000 1.445 267 G CA -0.504 44.616 45.100 0.034 0.000 0.814 267 G HN 0.001 nan 8.290 nan 0.000 0.495 268 V N -0.227 119.702 119.914 0.025 0.000 2.841 268 V HA 0.870 4.990 4.120 0.000 0.000 0.310 268 V C 0.255 176.369 176.094 0.034 0.000 1.090 268 V CA 0.047 62.363 62.300 0.027 0.000 0.930 268 V CB 2.047 33.882 31.823 0.020 0.000 1.014 268 V HN 1.532 nan 8.190 nan 0.000 0.425 269 G N 6.328 115.156 108.800 0.046 0.000 2.457 269 G HA2 0.526 4.486 3.960 0.000 0.000 0.316 269 G HA3 0.526 4.486 3.960 0.000 0.000 0.316 269 G C -0.646 174.281 174.900 0.044 0.000 1.030 269 G CA -0.424 44.707 45.100 0.052 0.000 1.073 269 G HN 0.731 nan 8.290 nan 0.000 0.430 270 L N 2.728 123.963 121.223 0.020 0.000 2.260 270 L HA 0.369 4.709 4.340 0.000 0.000 0.289 270 L C 0.322 177.201 176.870 0.015 0.000 1.057 270 L CA -0.313 54.534 54.840 0.012 0.000 0.811 270 L CB 1.143 43.190 42.059 -0.020 0.000 1.184 270 L HN 0.331 nan 8.230 nan 0.000 0.429 271 K N 2.530 122.953 120.400 0.039 0.000 2.358 271 K HA 0.265 4.585 4.320 0.000 0.000 0.260 271 K C 0.828 177.451 176.600 0.039 0.000 0.956 271 K CA -0.627 55.685 56.287 0.042 0.000 0.834 271 K CB 2.558 35.106 32.500 0.081 0.000 1.102 271 K HN 0.283 nan 8.250 nan 0.000 0.431 272 V N 1.469 121.394 119.914 0.018 0.000 2.233 272 V HA -0.357 3.763 4.120 0.000 0.000 0.252 272 V C 2.140 178.265 176.094 0.052 0.000 1.063 272 V CA 2.679 64.987 62.300 0.013 0.000 1.032 272 V CB -0.590 31.235 31.823 0.003 0.000 0.645 272 V HN 0.950 nan 8.190 nan 0.000 0.446 273 S N -0.558 115.186 115.700 0.072 0.000 2.496 273 S HA -0.135 4.335 4.470 0.000 0.000 0.224 273 S C 1.895 176.565 174.600 0.117 0.000 0.996 273 S CA 1.195 59.454 58.200 0.099 0.000 0.927 273 S CB -0.248 63.010 63.200 0.096 0.000 0.774 273 S HN 0.667 nan 8.310 nan 0.000 0.524 274 K N 0.931 121.403 120.400 0.120 0.000 2.031 274 K HA -0.056 4.264 4.320 0.000 0.000 0.205 274 K C 2.042 178.707 176.600 0.108 0.000 1.049 274 K CA 1.283 57.645 56.287 0.125 0.000 0.939 274 K CB -0.108 32.484 32.500 0.152 0.000 0.717 274 K HN 0.237 nan 8.250 nan 0.000 0.438 275 Q N -0.740 119.116 119.800 0.093 0.000 2.245 275 Q HA 0.076 4.416 4.340 0.000 0.000 0.201 275 Q C 1.191 177.279 176.000 0.148 0.000 0.955 275 Q CA 1.325 57.181 55.803 0.087 0.000 0.870 275 Q CB 0.499 29.255 28.738 0.029 0.000 0.945 275 Q HN 0.617 nan 8.270 nan 0.000 0.461 276 G N -0.950 107.948 108.800 0.164 0.000 2.145 276 G HA2 0.164 4.124 3.960 0.000 0.000 0.145 276 G HA3 0.164 4.124 3.960 0.000 0.000 0.145 276 G C 0.385 175.453 174.900 0.279 0.000 1.017 276 G CA 0.027 45.297 45.100 0.283 0.000 0.682 276 G HN 0.781 nan 8.290 nan 0.000 0.504 277 G N -1.069 107.806 108.800 0.125 0.000 2.343 277 G HA2 0.238 4.198 3.960 0.000 0.000 0.562 277 G HA3 0.238 4.198 3.960 0.000 0.000 0.562 277 G C 0.616 175.469 174.900 -0.078 0.000 1.269 277 G CA -0.150 44.998 45.100 0.079 0.000 1.011 277 G HN 0.729 nan 8.290 nan 0.000 0.498 278 I N 0.880 121.343 120.570 -0.179 0.000 2.226 278 I HA -0.104 4.066 4.170 0.000 0.000 0.245 278 I C 3.036 178.837 176.117 -0.527 0.000 1.100 278 I CA 2.618 63.605 61.300 -0.522 0.000 1.374 278 I CB -2.093 35.224 38.000 -1.138 0.000 1.057 278 I HN 0.668 nan 8.210 nan 0.000 0.413 279 T N 2.836 117.229 114.554 -0.268 0.000 2.607 279 T HA -0.090 4.260 4.350 0.000 0.000 0.267 279 T C -0.287 174.163 174.700 -0.418 0.000 1.049 279 T CA 2.026 64.004 62.100 -0.203 0.000 1.162 279 T CB -1.464 67.370 68.868 -0.055 0.000 0.863 279 T HN 0.321 nan 8.240 nan 0.000 0.424 280 P HA 0.072 nan 4.420 nan 0.000 0.225 280 P C 1.574 178.726 177.300 -0.246 0.000 1.156 280 P CA 0.776 63.606 63.100 -0.450 0.000 0.787 280 P CB -0.153 31.294 31.700 -0.420 0.000 0.802 281 M N -0.453 119.013 119.600 -0.224 0.000 2.108 281 M HA -0.095 4.386 4.480 0.000 0.000 0.261 281 M C 2.314 178.495 176.300 -0.198 0.000 1.066 281 M CA 1.495 56.685 55.300 -0.183 0.000 1.107 281 M CB -1.448 31.037 32.600 -0.192 0.000 1.356 281 M HN -0.007 nan 8.290 nan 0.000 0.406 282 L N -1.046 120.022 121.223 -0.259 0.000 2.056 282 L HA -0.197 4.144 4.340 0.000 0.000 0.207 282 L C 2.635 179.412 176.870 -0.156 0.000 1.078 282 L CA 1.041 55.745 54.840 -0.225 0.000 0.749 282 L CB -0.569 41.318 42.059 -0.286 0.000 0.901 282 L HN 0.285 nan 8.230 nan 0.000 0.433 283 R N -0.194 120.207 120.500 -0.165 0.000 2.081 283 R HA -0.182 4.159 4.340 0.000 0.000 0.235 283 R C 2.303 178.552 176.300 -0.086 0.000 1.131 283 R CA 1.465 57.493 56.100 -0.119 0.000 0.960 283 R CB -0.284 29.924 30.300 -0.153 0.000 0.856 283 R HN 0.479 nan 8.270 nan 0.000 0.436 284 Q N -0.233 119.511 119.800 -0.093 0.000 2.187 284 Q HA -0.081 4.260 4.340 0.000 0.000 0.199 284 Q C 2.136 178.103 176.000 -0.056 0.000 0.957 284 Q CA 0.778 56.546 55.803 -0.057 0.000 0.857 284 Q CB -0.012 28.698 28.738 -0.047 0.000 0.929 284 Q HN 0.233 nan 8.270 nan 0.000 0.453 285 R N 0.659 121.112 120.500 -0.079 0.000 2.091 285 R HA -0.161 4.179 4.340 0.000 0.000 0.238 285 R C 2.123 178.386 176.300 -0.061 0.000 1.136 285 R CA 1.368 57.421 56.100 -0.077 0.000 0.959 285 R CB -0.216 30.023 30.300 -0.100 0.000 0.856 285 R HN 0.233 nan 8.270 nan 0.000 0.437 286 A N 0.716 123.501 122.820 -0.058 0.000 1.933 286 A HA -0.121 4.199 4.320 0.000 0.000 0.218 286 A C 2.110 179.679 177.584 -0.024 0.000 1.175 286 A CA 1.383 53.397 52.037 -0.038 0.000 0.628 286 A CB -0.419 18.561 19.000 -0.034 0.000 0.814 286 A HN 0.359 nan 8.150 nan 0.000 0.444 287 I N -0.411 120.145 120.570 -0.023 0.000 2.233 287 I HA -0.210 3.960 4.170 0.000 0.000 0.243 287 I C 2.979 179.092 176.117 -0.006 0.000 1.093 287 I CA 1.004 62.299 61.300 -0.008 0.000 1.380 287 I CB -0.420 37.580 38.000 -0.001 0.000 1.067 287 I HN 0.325 nan 8.210 nan 0.000 0.413 288 A N 0.881 123.692 122.820 -0.015 0.000 1.902 288 A HA -0.162 4.158 4.320 0.000 0.000 0.217 288 A C 2.533 180.101 177.584 -0.028 0.000 1.181 288 A CA 1.943 53.969 52.037 -0.018 0.000 0.623 288 A CB -0.872 18.112 19.000 -0.028 0.000 0.818 288 A HN 0.434 nan 8.150 nan 0.000 0.443 289 A N -0.246 122.551 122.820 -0.037 0.000 1.930 289 A HA 0.193 4.513 4.320 0.000 0.000 0.217 289 A C 2.467 180.045 177.584 -0.011 0.000 1.175 289 A CA 1.945 53.959 52.037 -0.040 0.000 0.627 289 A CB -0.924 18.051 19.000 -0.041 0.000 0.815 289 A HN 1.061 nan 8.150 nan 0.000 0.443 290 A N -0.349 122.469 122.820 -0.004 0.000 1.969 290 A HA 0.234 4.554 4.320 0.000 0.000 0.218 290 A C 2.286 179.876 177.584 0.011 0.000 1.169 290 A CA 1.744 53.785 52.037 0.007 0.000 0.635 290 A CB -0.686 18.317 19.000 0.007 0.000 0.810 290 A HN 1.045 nan 8.150 nan 0.000 0.445 291 A N -1.782 121.043 122.820 0.008 0.000 2.208 291 A HA 0.405 4.725 4.320 0.000 0.000 0.209 291 A C 1.802 179.392 177.584 0.011 0.000 1.161 291 A CA 1.185 53.229 52.037 0.012 0.000 0.782 291 A CB -0.894 18.116 19.000 0.015 0.000 0.816 291 A HN 1.855 nan 8.150 nan 0.000 0.477 292 G N -1.141 107.662 108.800 0.004 0.000 2.160 292 G HA2 -0.270 3.690 3.960 0.000 0.000 0.251 292 G HA3 -0.270 3.690 3.960 0.000 0.000 0.251 292 G C 0.130 175.021 174.900 -0.015 0.000 1.008 292 G CA 0.473 45.575 45.100 0.002 0.000 0.724 292 G HN 0.432 nan 8.290 nan 0.000 0.514 293 M N 0.921 120.508 119.600 -0.022 0.000 2.185 293 M HA 0.432 4.913 4.480 0.000 0.000 0.357 293 M C 1.268 177.536 176.300 -0.054 0.000 1.260 293 M CA -0.488 54.799 55.300 -0.022 0.000 1.124 293 M CB 1.293 33.887 32.600 -0.010 0.000 1.600 293 M HN 0.376 nan 8.290 nan 0.000 0.467 294 V N 2.210 122.097 119.914 -0.046 0.000 3.051 294 V HA 0.420 4.540 4.120 0.000 0.000 0.306 294 V C -0.216 175.839 176.094 -0.065 0.000 1.083 294 V CA -0.431 61.819 62.300 -0.083 0.000 1.104 294 V CB 0.781 32.565 31.823 -0.065 0.000 1.027 294 V HN 0.923 nan 8.190 nan 0.000 0.483 295 M N 3.252 122.790 119.600 -0.103 0.000 2.213 295 M HA 0.364 4.844 4.480 0.000 0.000 0.286 295 M C -0.497 175.747 176.300 -0.093 0.000 1.008 295 M CA -0.074 55.180 55.300 -0.077 0.000 0.937 295 M CB 2.157 34.702 32.600 -0.091 0.000 1.600 295 M HN 0.848 nan 8.290 nan 0.000 0.450 296 S N 2.579 118.256 115.700 -0.040 0.000 2.475 296 S HA 0.580 5.051 4.470 0.000 0.000 0.281 296 S C -0.670 173.912 174.600 -0.030 0.000 1.198 296 S CA -0.588 57.590 58.200 -0.037 0.000 1.063 296 S CB 0.586 63.815 63.200 0.048 0.000 0.972 296 S HN 0.494 nan 8.310 nan 0.000 0.486 297 V N 6.921 126.806 119.914 -0.049 0.000 2.333 297 V HA 0.445 4.565 4.120 0.000 0.000 0.274 297 V C 0.205 176.284 176.094 -0.024 0.000 1.028 297 V CA -0.239 62.033 62.300 -0.047 0.000 0.851 297 V CB 0.728 32.507 31.823 -0.074 0.000 1.000 297 V HN 0.914 nan 8.190 nan 0.000 0.456 298 Q N 2.598 122.390 119.800 -0.013 0.000 3.019 298 Q HA 0.615 4.955 4.340 0.000 0.000 0.337 298 Q C -1.453 174.546 176.000 -0.002 0.000 0.900 298 Q CA -0.946 54.856 55.803 -0.003 0.000 0.800 298 Q CB 2.300 31.030 28.738 -0.014 0.000 1.437 298 Q HN 0.639 nan 8.270 nan 0.000 0.505 299 D N -1.075 119.318 120.400 -0.011 0.000 2.579 299 D HA 0.203 4.844 4.640 0.000 0.000 0.257 299 D C 0.390 176.650 176.300 -0.066 0.000 1.176 299 D CA 0.057 54.052 54.000 -0.009 0.000 0.914 299 D CB 1.869 42.676 40.800 0.012 0.000 1.431 299 D HN 0.588 nan 8.370 nan 0.000 0.454 300 T N -1.151 113.372 114.554 -0.051 0.000 2.607 300 T HA 0.002 4.352 4.350 0.000 0.000 0.267 300 T C 1.100 175.696 174.700 -0.173 0.000 1.049 300 T CA 1.493 63.510 62.100 -0.138 0.000 1.162 300 T CB -0.191 68.682 68.868 0.008 0.000 0.863 300 T HN 0.439 nan 8.240 nan 0.000 0.424 301 V N -1.389 118.451 119.914 -0.123 0.000 3.175 301 V HA 0.577 4.697 4.120 0.000 0.000 0.264 301 V C -0.622 175.390 176.094 -0.136 0.000 1.816 301 V CA 0.047 62.225 62.300 -0.204 0.000 0.989 301 V CB 1.356 32.903 31.823 -0.460 0.000 1.332 301 V HN 1.171 nan 8.190 nan 0.000 0.466 302 G N 2.075 110.804 108.800 -0.118 0.000 2.336 302 G HA2 0.652 4.612 3.960 0.000 0.000 0.286 302 G HA3 0.652 4.612 3.960 0.000 0.000 0.286 302 G C -0.456 174.444 174.900 -0.001 0.000 1.269 302 G CA 0.615 45.696 45.100 -0.032 0.000 0.873 302 G HN 2.035 nan 8.290 nan 0.000 0.494 303 S N -1.292 114.427 115.700 0.031 0.000 2.561 303 S HA 0.457 4.927 4.470 0.000 0.000 0.282 303 S C 1.258 175.895 174.600 0.062 0.000 1.123 303 S CA 0.365 58.582 58.200 0.030 0.000 1.011 303 S CB 1.065 64.278 63.200 0.022 0.000 1.244 303 S HN 0.523 nan 8.310 nan 0.000 0.503 304 Q N 0.145 119.976 119.800 0.052 0.000 2.226 304 Q HA 0.184 4.524 4.340 0.000 0.000 0.204 304 Q C 1.833 177.911 176.000 0.130 0.000 0.975 304 Q CA 1.402 57.273 55.803 0.113 0.000 0.866 304 Q CB -0.743 28.030 28.738 0.057 0.000 0.915 304 Q HN 0.669 nan 8.270 nan 0.000 0.440 305 I N -0.579 120.033 120.570 0.070 0.000 2.202 305 I HA -0.269 3.902 4.170 0.000 0.000 0.242 305 I C 2.370 178.547 176.117 0.100 0.000 1.091 305 I CA 1.189 62.532 61.300 0.071 0.000 1.368 305 I CB -0.449 37.582 38.000 0.052 0.000 1.058 305 I HN 0.199 nan 8.210 nan 0.000 0.410 306 S N 0.954 116.715 115.700 0.102 0.000 2.359 306 S HA -0.268 4.202 4.470 0.000 0.000 0.224 306 S C 2.145 176.818 174.600 0.121 0.000 1.035 306 S CA 1.550 59.809 58.200 0.098 0.000 1.018 306 S CB -0.541 62.707 63.200 0.080 0.000 0.876 306 S HN 0.418 nan 8.310 nan 0.000 0.448 307 F N 2.558 122.506 119.950 -0.003 0.000 2.161 307 F HA 0.016 4.543 4.527 0.000 0.000 0.300 307 F C 2.348 178.147 175.800 -0.002 0.000 1.089 307 F CA 1.035 59.027 58.000 -0.014 0.000 1.282 307 F CB -1.120 37.867 39.000 -0.022 0.000 1.010 307 F HN 0.288 nan 8.300 nan 0.000 0.485 308 A N 0.270 123.045 122.820 -0.075 0.000 1.908 308 A HA -0.081 4.240 4.320 0.000 0.000 0.218 308 A C 2.458 180.015 177.584 -0.045 0.000 1.181 308 A CA 2.005 53.980 52.037 -0.103 0.000 0.627 308 A CB -1.545 17.496 19.000 0.069 0.000 0.818 308 A HN 0.489 nan 8.150 nan 0.000 0.445 309 A N -0.160 122.648 122.820 -0.020 0.000 1.898 309 A HA -0.028 4.292 4.320 0.000 0.000 0.216 309 A C 2.111 179.640 177.584 -0.092 0.000 1.181 309 A CA 1.405 53.426 52.037 -0.026 0.000 0.620 309 A CB -0.598 18.398 19.000 -0.007 0.000 0.819 309 A HN 0.486 nan 8.150 nan 0.000 0.442 310 I N -0.817 119.680 120.570 -0.122 0.000 2.163 310 I HA -0.254 3.917 4.170 0.000 0.000 0.243 310 I C 2.446 178.417 176.117 -0.242 0.000 1.085 310 I CA 1.382 62.597 61.300 -0.142 0.000 1.347 310 I CB -0.280 37.680 38.000 -0.067 0.000 1.044 310 I HN 0.389 nan 8.210 nan 0.000 0.408 311 L N 0.031 120.974 121.223 -0.467 0.000 2.072 311 L HA -0.195 4.145 4.340 0.000 0.000 0.205 311 L C 2.625 179.265 176.870 -0.382 0.000 1.079 311 L CA 1.965 56.469 54.840 -0.560 0.000 0.752 311 L CB -0.965 40.494 42.059 -1.001 0.000 0.906 311 L HN 0.238 nan 8.230 nan 0.000 0.436 312 H N -0.586 118.332 119.070 -0.253 0.000 2.353 312 H HA -0.100 4.457 4.556 0.000 0.000 0.300 312 H C 2.331 177.557 175.328 -0.171 0.000 1.090 312 H CA 2.056 57.997 56.048 -0.178 0.000 1.327 312 H CB -0.076 29.598 29.762 -0.147 0.000 1.383 312 H HN 0.345 nan 8.280 nan 0.000 0.508 313 L N 0.028 121.205 121.223 -0.077 0.000 2.027 313 L HA -0.117 4.223 4.340 0.000 0.000 0.206 313 L C 2.911 179.709 176.870 -0.120 0.000 1.074 313 L CA 0.920 55.685 54.840 -0.124 0.000 0.745 313 L CB -0.442 41.527 42.059 -0.151 0.000 0.898 313 L HN 0.187 nan 8.230 nan 0.000 0.433 314 A N -0.609 122.134 122.820 -0.129 0.000 1.972 314 A HA -0.283 4.038 4.320 0.000 0.000 0.219 314 A C 2.183 179.699 177.584 -0.113 0.000 1.169 314 A CA 1.809 53.773 52.037 -0.121 0.000 0.635 314 A CB -0.480 18.447 19.000 -0.121 0.000 0.810 314 A HN 0.406 nan 8.150 nan 0.000 0.446 315 Q N 0.565 120.293 119.800 -0.121 0.000 2.291 315 Q HA -0.074 4.267 4.340 0.000 0.000 0.205 315 Q C 1.736 177.694 176.000 -0.069 0.000 0.970 315 Q CA 1.733 57.475 55.803 -0.102 0.000 0.876 315 Q CB -0.261 28.402 28.738 -0.125 0.000 0.935 315 Q HN 0.704 nan 8.270 nan 0.000 0.455 316 S N -2.131 113.528 115.700 -0.068 0.000 2.572 316 S HA 0.225 4.695 4.470 0.000 0.000 0.228 316 S C 0.125 174.686 174.600 -0.065 0.000 0.963 316 S CA -0.488 57.678 58.200 -0.057 0.000 0.939 316 S CB 0.366 63.533 63.200 -0.055 0.000 0.804 316 S HN 0.052 nan 8.310 nan 0.000 0.480 317 T N 5.086 119.593 114.554 -0.077 0.000 2.806 317 T HA 0.407 4.757 4.350 0.000 0.000 0.290 317 T C -2.789 171.871 174.700 -0.067 0.000 0.966 317 T CA -1.264 60.786 62.100 -0.084 0.000 1.060 317 T CB 0.941 69.746 68.868 -0.105 0.000 0.927 317 T HN 0.082 nan 8.240 nan 0.000 0.485 318 P HA 0.111 nan 4.420 nan 0.000 0.261 318 P C 0.682 177.962 177.300 -0.033 0.000 1.183 318 P CA -0.166 62.937 63.100 0.006 0.000 0.761 318 P CB 0.541 32.265 31.700 0.041 0.000 0.785 319 R N 3.756 124.268 120.500 0.020 0.000 2.091 319 R HA -0.199 4.141 4.340 0.000 0.000 0.238 319 R C 2.009 178.290 176.300 -0.032 0.000 1.136 319 R CA 2.092 58.178 56.100 -0.023 0.000 0.959 319 R CB -1.423 28.871 30.300 -0.009 0.000 0.856 319 R HN 0.715 nan 8.270 nan 0.000 0.437 320 H N -1.829 117.194 119.070 -0.079 0.000 2.491 320 H HA 0.045 4.601 4.556 0.000 0.000 0.290 320 H C 1.488 176.762 175.328 -0.090 0.000 1.050 320 H CA 1.405 57.407 56.048 -0.078 0.000 1.309 320 H CB -0.140 29.590 29.762 -0.053 0.000 1.392 320 H HN 0.217 nan 8.280 nan 0.000 0.554 321 L N -0.023 120.826 121.223 -0.624 0.000 2.416 321 L HA 0.164 4.504 4.340 0.000 0.000 0.216 321 L C 0.412 177.108 176.870 -0.289 0.000 1.098 321 L CA -0.430 54.135 54.840 -0.459 0.000 0.840 321 L CB 0.222 42.005 42.059 -0.461 0.000 0.981 321 L HN 0.224 nan 8.230 nan 0.000 0.462 322 L N 1.074 122.145 121.223 -0.254 0.000 2.416 322 L HA 0.144 4.484 4.340 0.000 0.000 0.272 322 L C 0.169 176.841 176.870 -0.329 0.000 1.161 322 L CA 0.564 55.264 54.840 -0.233 0.000 0.845 322 L CB 0.229 42.181 42.059 -0.180 0.000 1.119 322 L HN 0.032 nan 8.230 nan 0.000 0.464 323 R N 4.192 124.470 120.500 -0.369 0.000 2.681 323 R HA 0.365 4.706 4.340 0.000 0.000 0.277 323 R C -0.997 175.057 176.300 -0.410 0.000 1.563 323 R CA -0.309 55.399 56.100 -0.652 0.000 1.673 323 R CB -0.281 29.453 30.300 -0.942 0.000 1.258 323 R HN 0.888 nan 8.270 nan 0.000 0.650 324 C N -0.585 118.551 119.300 -0.274 0.000 0.168 324 C HA -0.099 4.361 4.460 0.000 0.000 0.017 324 C C 0.689 175.637 174.990 -0.070 0.000 0.171 324 C CA -0.544 58.398 59.018 -0.127 0.000 0.499 324 C CB -0.846 26.860 27.740 -0.057 0.000 3.212 324 C HN 0.795 nan 8.230 nan 0.000 1.118 325 A N 1.204 124.011 122.820 -0.021 0.000 2.337 325 A HA 0.867 5.187 4.320 0.000 0.000 0.331 325 A C -0.788 176.837 177.584 0.069 0.000 1.137 325 A CA -0.491 51.556 52.037 0.016 0.000 0.807 325 A CB 0.970 19.980 19.000 0.017 0.000 1.250 325 A HN 1.787 nan 8.150 nan 0.000 0.468 326 L N 0.957 122.228 121.223 0.079 0.000 2.292 326 L HA 0.445 4.785 4.340 0.000 0.000 0.284 326 L C -0.530 176.440 176.870 0.166 0.000 1.065 326 L CA -0.105 54.779 54.840 0.073 0.000 0.806 326 L CB 1.134 43.203 42.059 0.015 0.000 1.175 326 L HN 0.638 nan 8.230 nan 0.000 0.431 327 D N 2.445 122.866 120.400 0.036 0.000 2.441 327 D HA 0.105 4.746 4.640 0.000 0.000 0.221 327 D C 1.099 177.259 176.300 -0.234 0.000 1.156 327 D CA 0.197 54.050 54.000 -0.246 0.000 0.896 327 D CB 1.111 41.693 40.800 -0.364 0.000 1.028 327 D HN 0.751 nan 8.370 nan 0.000 0.509 328 T N 1.234 115.706 114.554 -0.136 0.000 3.007 328 T HA -0.109 4.241 4.350 0.000 0.000 0.270 328 T C 1.657 176.274 174.700 -0.140 0.000 1.107 328 T CA 0.589 62.634 62.100 -0.093 0.000 1.118 328 T CB -0.028 68.838 68.868 -0.003 0.000 0.889 328 T HN 0.324 nan 8.240 nan 0.000 0.506 329 R N 1.286 121.625 120.500 -0.269 0.000 2.148 329 R HA 0.214 4.554 4.340 0.000 0.000 0.227 329 R C 2.737 178.950 176.300 -0.145 0.000 1.103 329 R CA 1.061 57.035 56.100 -0.209 0.000 0.983 329 R CB -0.499 29.620 30.300 -0.301 0.000 0.874 329 R HN 0.516 nan 8.270 nan 0.000 0.451 330 A N 0.548 123.271 122.820 -0.161 0.000 2.119 330 A HA -0.017 4.304 4.320 0.000 0.000 0.216 330 A C 1.909 179.462 177.584 -0.050 0.000 1.152 330 A CA 0.816 52.791 52.037 -0.104 0.000 0.708 330 A CB -0.202 18.721 19.000 -0.129 0.000 0.805 330 A HN 0.184 nan 8.150 nan 0.000 0.460 331 M N -0.271 119.307 119.600 -0.037 0.000 2.501 331 M HA 0.053 4.533 4.480 0.000 0.000 0.261 331 M C 0.480 176.848 176.300 0.113 0.000 1.129 331 M CA 1.004 56.325 55.300 0.034 0.000 1.126 331 M CB 0.196 32.789 32.600 -0.012 0.000 1.359 331 M HN 0.458 nan 8.290 nan 0.000 0.471 332 T N -4.065 110.529 114.554 0.066 0.000 2.906 332 T HA 0.324 4.674 4.350 0.000 0.000 0.295 332 T C 0.352 175.077 174.700 0.042 0.000 1.061 332 T CA -0.745 61.413 62.100 0.097 0.000 1.000 332 T CB 2.043 70.977 68.868 0.111 0.000 1.103 332 T HN -0.168 nan 8.240 nan 0.000 0.486 333 T N 1.272 115.852 114.554 0.044 0.000 3.129 333 T HA 0.395 4.745 4.350 0.000 0.000 0.251 333 T C 1.110 175.818 174.700 0.014 0.000 1.117 333 T CA 0.347 62.460 62.100 0.022 0.000 1.034 333 T CB -0.490 68.391 68.868 0.023 0.000 0.968 333 T HN 0.968 nan 8.240 nan 0.000 0.526 334 A N 2.388 125.221 122.820 0.022 0.000 2.425 334 A HA 0.355 4.675 4.320 0.000 0.000 0.242 334 A C 0.449 178.029 177.584 -0.006 0.000 1.077 334 A CA -0.476 51.569 52.037 0.012 0.000 0.781 334 A CB 0.161 19.176 19.000 0.024 0.000 1.020 334 A HN 0.581 nan 8.150 nan 0.000 0.494 335 E N 1.827 122.018 120.200 -0.015 0.000 3.786 335 E HA 0.376 4.726 4.350 0.000 0.000 0.215 335 E C -0.380 176.190 176.600 -0.049 0.000 1.188 335 E CA -0.315 56.068 56.400 -0.029 0.000 1.248 335 E CB 0.106 29.791 29.700 -0.025 0.000 1.260 335 E HN 0.540 nan 8.360 nan 0.000 0.426 336 L N 0.358 121.546 121.223 -0.058 0.000 2.395 336 L HA 0.327 4.667 4.340 0.000 0.000 0.218 336 L C 0.844 177.617 176.870 -0.161 0.000 1.130 336 L CA 0.585 55.363 54.840 -0.104 0.000 0.826 336 L CB -0.027 41.977 42.059 -0.092 0.000 0.941 336 L HN 0.485 nan 8.230 nan 0.000 0.451 337 A N -0.480 122.268 122.820 -0.120 0.000 2.608 337 A HA 0.528 4.848 4.320 0.000 0.000 0.292 337 A C -1.128 176.415 177.584 -0.069 0.000 1.066 337 A CA -0.663 51.292 52.037 -0.136 0.000 0.676 337 A CB 1.173 20.069 19.000 -0.174 0.000 1.277 337 A HN 0.041 nan 8.150 nan 0.000 0.413 338 E N 0.035 120.198 120.200 -0.061 0.000 2.242 338 E HA 0.658 5.008 4.350 0.000 0.000 0.275 338 E C -1.163 175.436 176.600 -0.001 0.000 1.002 338 E CA -0.451 55.935 56.400 -0.024 0.000 0.841 338 E CB 2.278 31.965 29.700 -0.023 0.000 1.109 338 E HN 0.549 nan 8.360 nan 0.000 0.394 339 I N 1.615 122.201 120.570 0.027 0.000 2.680 339 I HA 0.116 4.286 4.170 0.000 0.000 0.291 339 I C -1.565 174.583 176.117 0.051 0.000 1.244 339 I CA -0.613 60.718 61.300 0.051 0.000 1.042 339 I CB 1.888 39.943 38.000 0.090 0.000 1.277 339 I HN 0.373 nan 8.210 nan 0.000 0.423 340 D N 7.127 127.549 120.400 0.038 0.000 2.508 340 D HA 0.517 5.158 4.640 0.000 0.000 0.224 340 D C -0.316 176.002 176.300 0.029 0.000 1.171 340 D CA 0.305 54.321 54.000 0.028 0.000 1.006 340 D CB 0.553 41.363 40.800 0.018 0.000 1.073 340 D HN 0.576 nan 8.370 nan 0.000 0.513 341 A N 4.213 127.068 122.820 0.057 0.000 3.422 341 A HA 0.327 4.647 4.320 0.000 0.000 0.271 341 A C -2.596 175.043 177.584 0.091 0.000 1.104 341 A CA -0.979 51.104 52.037 0.077 0.000 0.899 341 A CB 0.502 19.575 19.000 0.122 0.000 1.309 341 A HN 0.267 nan 8.150 nan 0.000 0.580 342 P HA 0.166 nan 4.420 nan 0.000 0.271 342 P C -0.104 177.190 177.300 -0.010 0.000 1.216 342 P CA 0.033 63.135 63.100 0.003 0.000 0.771 342 P CB 0.929 32.622 31.700 -0.012 0.000 0.864 343 L N 4.554 125.755 121.223 -0.036 0.000 2.500 343 L HA 0.104 4.444 4.340 0.000 0.000 0.272 343 L C 0.950 177.759 176.870 -0.102 0.000 1.149 343 L CA 0.366 55.164 54.840 -0.070 0.000 0.897 343 L CB -0.133 41.879 42.059 -0.078 0.000 1.178 343 L HN 0.335 nan 8.230 nan 0.000 0.473 344 R N 3.246 123.674 120.500 -0.121 0.000 2.502 344 R HA 0.165 4.506 4.340 0.000 0.000 0.300 344 R C -0.564 175.635 176.300 -0.168 0.000 0.984 344 R CA -0.880 55.147 56.100 -0.122 0.000 0.882 344 R CB 1.321 31.574 30.300 -0.078 0.000 1.180 344 R HN 0.547 nan 8.270 nan 0.000 0.444 345 D N 2.279 122.562 120.400 -0.194 0.000 2.686 345 D HA -0.182 4.458 4.640 0.000 0.000 0.235 345 D C 0.812 176.937 176.300 -0.292 0.000 1.160 345 D CA 1.952 55.829 54.000 -0.205 0.000 0.645 345 D CB -0.809 39.917 40.800 -0.124 0.000 1.039 345 D HN 1.029 nan 8.370 nan 0.000 0.423 346 G N -1.631 106.855 108.800 -0.523 0.000 2.153 346 G HA2 0.014 3.974 3.960 0.000 0.000 0.252 346 G HA3 0.014 3.974 3.960 0.000 0.000 0.252 346 G C 0.597 175.293 174.900 -0.340 0.000 0.994 346 G CA 0.499 45.177 45.100 -0.702 0.000 0.698 346 G HN 1.287 nan 8.290 nan 0.000 0.521 347 G N -1.753 106.909 108.800 -0.231 0.000 2.694 347 G HA2 1.019 4.979 3.960 0.000 0.000 0.290 347 G HA3 1.019 4.979 3.960 0.000 0.000 0.290 347 G C -0.740 174.123 174.900 -0.062 0.000 1.386 347 G CA 0.309 45.343 45.100 -0.110 0.000 0.872 347 G HN 1.719 nan 8.290 nan 0.000 0.475 348 A N -0.298 122.514 122.820 -0.014 0.000 2.549 348 A HA 0.851 5.171 4.320 0.000 0.000 0.297 348 A C -0.512 177.056 177.584 -0.026 0.000 1.061 348 A CA -0.514 51.535 52.037 0.020 0.000 0.690 348 A CB 1.718 20.812 19.000 0.157 0.000 1.287 348 A HN 1.089 nan 8.150 nan 0.000 0.402 349 S N 0.741 116.416 115.700 -0.042 0.000 2.454 349 S HA 0.679 5.150 4.470 0.000 0.000 0.306 349 S C 0.336 174.856 174.600 -0.133 0.000 1.100 349 S CA -0.079 58.071 58.200 -0.083 0.000 1.087 349 S CB 1.614 64.778 63.200 -0.060 0.000 1.019 349 S HN 1.593 nan 8.310 nan 0.000 0.480 350 A N 4.807 127.492 122.820 -0.224 0.000 2.531 350 A HA 0.433 4.753 4.320 0.000 0.000 0.236 350 A C -1.959 175.506 177.584 -0.198 0.000 1.062 350 A CA -0.724 51.080 52.037 -0.388 0.000 0.760 350 A CB -0.608 18.034 19.000 -0.597 0.000 0.995 350 A HN 0.525 nan 8.150 nan 0.000 0.501 351 P HA 0.144 nan 4.420 nan 0.000 0.274 351 P C 0.462 177.805 177.300 0.071 0.000 1.256 351 P CA 0.026 63.123 63.100 -0.006 0.000 0.795 351 P CB 0.814 32.534 31.700 0.033 0.000 1.038 352 S N -2.520 113.215 115.700 0.058 0.000 2.540 352 S HA 0.092 4.562 4.470 0.000 0.000 0.218 352 S C 0.311 174.947 174.600 0.060 0.000 0.977 352 S CA -0.422 57.815 58.200 0.061 0.000 0.918 352 S CB -0.456 62.764 63.200 0.033 0.000 0.806 352 S HN 0.335 nan 8.310 nan 0.000 0.496 353 D N 3.815 124.255 120.400 0.066 0.000 2.399 353 D HA 0.207 4.848 4.640 0.000 0.000 0.241 353 D C -2.633 173.695 176.300 0.045 0.000 1.133 353 D CA -0.914 53.118 54.000 0.053 0.000 0.890 353 D CB 0.410 41.243 40.800 0.055 0.000 1.201 353 D HN 0.177 nan 8.370 nan 0.000 0.432 354 P HA 0.128 nan 4.420 nan 0.000 0.269 354 P C 0.580 177.883 177.300 0.005 0.000 1.209 354 P CA 0.377 63.486 63.100 0.015 0.000 0.776 354 P CB 0.642 32.354 31.700 0.021 0.000 0.876 355 G N 1.248 110.031 108.800 -0.028 0.000 2.512 355 G HA2 -0.278 3.683 3.960 0.000 0.000 0.240 355 G HA3 -0.278 3.683 3.960 0.000 0.000 0.240 355 G C 0.614 175.423 174.900 -0.152 0.000 1.246 355 G CA -0.074 45.004 45.100 -0.038 0.000 0.919 355 G HN 0.459 nan 8.290 nan 0.000 0.577 356 L N 1.731 122.914 121.223 -0.065 0.000 2.313 356 L HA 0.324 4.664 4.340 0.000 0.000 0.214 356 L C 2.435 179.381 176.870 0.127 0.000 1.119 356 L CA 1.391 56.201 54.840 -0.049 0.000 0.809 356 L CB -0.473 41.629 42.059 0.073 0.000 0.933 356 L HN 2.208 nan 8.230 nan 0.000 0.449 357 G N 0.413 109.270 108.800 0.095 0.000 2.137 357 G HA2 -0.258 3.702 3.960 0.000 0.000 0.237 357 G HA3 -0.258 3.702 3.960 0.000 0.000 0.237 357 G C 0.024 174.971 174.900 0.079 0.000 1.002 357 G CA -0.206 44.961 45.100 0.111 0.000 0.702 357 G HN 0.195 nan 8.290 nan 0.000 0.515 358 L N -0.461 120.799 121.223 0.062 0.000 2.399 358 L HA 0.661 5.001 4.340 0.000 0.000 0.266 358 L C 1.049 177.906 176.870 -0.022 0.000 1.114 358 L CA -0.769 54.075 54.840 0.007 0.000 0.804 358 L CB 1.053 43.091 42.059 -0.034 0.000 1.146 358 L HN 0.097 nan 8.230 nan 0.000 0.451 359 R N 1.799 122.264 120.500 -0.058 0.000 2.310 359 R HA 0.418 4.758 4.340 0.000 0.000 0.316 359 R C -1.210 174.992 176.300 -0.164 0.000 1.004 359 R CA -0.614 55.440 56.100 -0.076 0.000 0.900 359 R CB 1.523 31.801 30.300 -0.036 0.000 1.152 359 R HN 0.301 nan 8.270 nan 0.000 0.513 360 V N 3.285 123.021 119.914 -0.297 0.000 2.530 360 V HA 0.054 4.174 4.120 0.000 0.000 0.282 360 V C 0.376 176.275 176.094 -0.325 0.000 1.048 360 V CA -0.515 61.488 62.300 -0.495 0.000 0.997 360 V CB 1.022 32.132 31.823 -1.189 0.000 0.987 360 V HN 0.638 nan 8.190 nan 0.000 0.477 361 N N 4.556 123.094 118.700 -0.270 0.000 2.663 361 N HA 0.190 4.930 4.740 0.000 0.000 0.250 361 N C 1.089 176.494 175.510 -0.176 0.000 1.129 361 N CA -0.078 52.872 53.050 -0.166 0.000 0.995 361 N CB 0.546 38.964 38.487 -0.115 0.000 1.324 361 N HN 0.505 nan 8.380 nan 0.000 0.512 362 R N 1.191 121.608 120.500 -0.138 0.000 2.127 362 R HA -0.138 4.202 4.340 0.000 0.000 0.238 362 R C 0.298 176.580 176.300 -0.030 0.000 1.134 362 R CA 1.694 57.745 56.100 -0.081 0.000 0.975 362 R CB 0.244 30.572 30.300 0.045 0.000 0.865 362 R HN 0.439 nan 8.270 nan 0.000 0.447 363 D N -0.539 119.849 120.400 -0.020 0.000 2.224 363 D HA -0.081 4.559 4.640 0.000 0.000 0.205 363 D C 1.402 177.698 176.300 -0.006 0.000 0.965 363 D CA 1.107 55.108 54.000 0.002 0.000 0.852 363 D CB 0.044 40.846 40.800 0.003 0.000 0.947 363 D HN 0.299 nan 8.370 nan 0.000 0.494 364 A N 0.100 122.899 122.820 -0.035 0.000 2.206 364 A HA 0.073 4.393 4.320 0.000 0.000 0.211 364 A C 1.815 179.385 177.584 -0.023 0.000 1.158 364 A CA 0.429 52.447 52.037 -0.031 0.000 0.761 364 A CB -0.377 18.592 19.000 -0.051 0.000 0.801 364 A HN 0.216 nan 8.150 nan 0.000 0.473 365 L N -1.355 119.850 121.223 -0.031 0.000 2.416 365 L HA 0.294 4.635 4.340 0.000 0.000 0.216 365 L C 1.307 178.237 176.870 0.101 0.000 1.098 365 L CA 0.439 55.276 54.840 -0.005 0.000 0.840 365 L CB -0.647 41.316 42.059 -0.159 0.000 0.981 365 L HN 0.538 nan 8.230 nan 0.000 0.462 366 G N 0.429 109.286 108.800 0.096 0.000 2.758 366 G HA2 -0.254 3.706 3.960 0.000 0.000 0.686 366 G HA3 -0.254 3.706 3.960 0.000 0.000 0.686 366 G C -0.091 174.914 174.900 0.174 0.000 1.389 366 G CA -0.307 44.860 45.100 0.113 0.000 0.845 366 G HN 0.057 nan 8.290 nan 0.000 0.572 367 T N 1.633 116.258 114.554 0.118 0.000 2.946 367 T HA 0.424 4.774 4.350 0.000 0.000 0.312 367 T C -1.488 173.264 174.700 0.087 0.000 1.066 367 T CA 0.215 62.376 62.100 0.101 0.000 1.138 367 T CB 0.030 68.927 68.868 0.048 0.000 1.014 367 T HN 0.554 nan 8.240 nan 0.000 0.544 368 P HA 0.094 nan 4.420 nan 0.000 0.268 368 P C 0.918 178.152 177.300 -0.110 0.000 1.205 368 P CA -0.364 62.615 63.100 -0.200 0.000 0.771 368 P CB 0.492 32.001 31.700 -0.319 0.000 0.858 369 V N -0.772 119.084 119.914 -0.097 0.000 2.951 369 V HA 0.161 4.282 4.120 0.000 0.000 0.255 369 V C 0.588 176.622 176.094 -0.100 0.000 1.088 369 V CA 1.299 63.563 62.300 -0.059 0.000 1.109 369 V CB -0.919 30.897 31.823 -0.012 0.000 0.724 369 V HN 0.390 nan 8.190 nan 0.000 0.471 370 K N -0.304 120.007 120.400 -0.149 0.000 2.557 370 K HA 0.627 4.948 4.320 0.000 0.000 0.261 370 K C -1.145 175.276 176.600 -0.298 0.000 0.932 370 K CA -0.043 56.098 56.287 -0.245 0.000 0.829 370 K CB 2.211 34.584 32.500 -0.211 0.000 1.358 370 K HN 0.219 nan 8.250 nan 0.000 0.430 371 T N 3.270 117.565 114.554 -0.431 0.000 2.861 371 T HA 0.665 5.016 4.350 0.000 0.000 0.287 371 T C -1.260 173.119 174.700 -0.534 0.000 1.003 371 T CA -0.403 61.502 62.100 -0.326 0.000 0.977 371 T CB 0.337 69.088 68.868 -0.194 0.000 0.996 371 T HN 0.292 nan 8.240 nan 0.000 0.448 372 F N 1.185 121.104 119.950 -0.052 0.000 2.532 372 F HA 0.817 5.345 4.527 0.000 0.000 0.321 372 F C 0.872 176.647 175.800 -0.041 0.000 1.089 372 F CA -0.160 57.814 58.000 -0.042 0.000 0.926 372 F CB 2.393 41.368 39.000 -0.042 0.000 1.168 372 F HN 0.948 nan 8.300 nan 0.000 0.459 373 G N 0.000 108.884 108.800 0.141 0.000 5.446 373 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 373 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 373 G CA 0.000 45.141 45.100 0.068 0.000 0.502 373 G HN 0.000 nan 8.290 nan 0.000 0.925