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 1oqf_1_A DATA FIRST_RESID 1 DATA SEQUENCE SLHSPGKAFR AALTKENPLQ IVGTINANHA LLAQRAGYQA IYLSGGGVAA DATA SEQUENCE GSLGLPDLGI STLDDVLTDI RRITDVCSLP LLVDADIGFG SSAFNVARTV DATA SEQUENCE KSMIKAGAAG LHIEDQVGAK RCGHRPNKAI VSKEEMVDRI RAAVDAKTDP DATA SEQUENCE DFVIMARTDA LAVEGLDAAI ERAQAYVEAG AEMLFPEAIT ELAMYRQFAD DATA SEQUENCE AVQVPILANI TEFGATPLFT TDELRSAHVA MALYPLSAFR AMNRAAEHVY DATA SEQUENCE NVLRQEGTQK SVIDTMQTRN ELYESINYYQ YEEKLDNLFA 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.625 174.600 0.041 0.000 1.055 1 S CA 0.000 58.217 58.200 0.028 0.000 1.107 1 S CB 0.000 63.214 63.200 0.023 0.000 0.593 2 L N 3.193 124.438 121.223 0.038 0.000 2.461 2 L HA 0.303 4.643 4.340 -0.000 0.000 0.272 2 L C 1.087 178.001 176.870 0.073 0.000 1.197 2 L CA -0.483 54.390 54.840 0.055 0.000 0.836 2 L CB 0.296 42.378 42.059 0.037 0.000 1.105 2 L HN 0.717 nan 8.230 nan 0.000 0.477 3 H N 2.061 121.146 119.070 0.024 0.000 2.886 3 H HA 0.024 4.580 4.556 -0.000 0.000 0.329 3 H C -0.577 174.777 175.328 0.044 0.000 1.044 3 H CA 0.003 56.071 56.048 0.033 0.000 1.456 3 H CB 1.201 30.982 29.762 0.032 0.000 1.464 3 H HN 0.483 nan 8.280 nan 0.000 0.573 4 S N 6.183 121.483 115.700 -0.666 0.000 2.594 4 S HA 0.254 4.724 4.470 -0.000 0.000 0.322 4 S C -1.838 172.445 174.600 -0.529 0.000 1.085 4 S CA -1.600 56.339 58.200 -0.434 0.000 1.116 4 S CB 1.265 64.368 63.200 -0.161 0.000 0.979 4 S HN 0.590 nan 8.310 nan 0.000 0.465 5 P HA -0.031 nan 4.420 nan 0.000 0.216 5 P C 1.613 178.957 177.300 0.073 0.000 1.150 5 P CA 1.221 64.319 63.100 -0.003 0.000 0.837 5 P CB -0.049 31.730 31.700 0.132 0.000 0.786 6 G N 0.179 109.025 108.800 0.077 0.000 2.421 6 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.216 6 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.216 6 G C 1.613 176.583 174.900 0.116 0.000 1.171 6 G CA 1.007 46.162 45.100 0.092 0.000 0.775 6 G HN 0.262 nan 8.290 nan 0.000 0.543 7 K N 0.554 120.985 120.400 0.052 0.000 2.032 7 K HA -0.051 4.269 4.320 -0.000 0.000 0.209 7 K C 2.804 179.449 176.600 0.074 0.000 1.048 7 K CA 1.429 57.745 56.287 0.048 0.000 0.927 7 K CB -0.376 32.126 32.500 0.003 0.000 0.712 7 K HN 0.206 nan 8.250 nan 0.000 0.441 8 A N 0.607 123.475 122.820 0.080 0.000 1.940 8 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 8 A C 1.991 179.653 177.584 0.131 0.000 1.176 8 A CA 1.489 53.602 52.037 0.126 0.000 0.631 8 A CB -0.801 18.331 19.000 0.221 0.000 0.814 8 A HN 0.544 nan 8.150 nan 0.000 0.446 9 F N 0.582 120.551 119.950 0.031 0.000 2.075 9 F HA -0.157 4.370 4.527 -0.000 0.000 0.297 9 F C 2.391 178.195 175.800 0.007 0.000 1.113 9 F CA 1.977 59.989 58.000 0.021 0.000 1.218 9 F CB -0.317 38.682 39.000 -0.002 0.000 0.984 9 F HN 0.117 nan 8.300 nan 0.000 0.472 10 R N 0.218 120.790 120.500 0.120 0.000 2.117 10 R HA -0.182 4.158 4.340 -0.000 0.000 0.243 10 R C 2.400 178.655 176.300 -0.075 0.000 1.143 10 R CA 1.392 57.500 56.100 0.013 0.000 0.968 10 R CB -0.904 29.442 30.300 0.077 0.000 0.863 10 R HN 0.421 nan 8.270 nan 0.000 0.444 11 A N 0.954 123.751 122.820 -0.038 0.000 1.969 11 A HA -0.038 4.282 4.320 -0.000 0.000 0.218 11 A C 2.329 179.862 177.584 -0.085 0.000 1.169 11 A CA 1.435 53.448 52.037 -0.040 0.000 0.635 11 A CB -0.512 18.488 19.000 0.001 0.000 0.810 11 A HN 0.393 nan 8.150 nan 0.000 0.445 12 A N -0.448 122.288 122.820 -0.141 0.000 1.933 12 A HA 0.000 4.320 4.320 -0.000 0.000 0.218 12 A C 1.923 179.381 177.584 -0.211 0.000 1.175 12 A CA 1.544 53.478 52.037 -0.171 0.000 0.628 12 A CB -0.506 18.360 19.000 -0.224 0.000 0.814 12 A HN 0.397 nan 8.150 nan 0.000 0.444 13 L N 0.328 121.376 121.223 -0.293 0.000 2.191 13 L HA -0.134 4.206 4.340 -0.000 0.000 0.212 13 L C 2.771 179.558 176.870 -0.139 0.000 1.103 13 L CA 2.194 56.891 54.840 -0.239 0.000 0.769 13 L CB -0.776 41.141 42.059 -0.237 0.000 0.908 13 L HN 0.655 nan 8.230 nan 0.000 0.438 14 T N -4.927 109.561 114.554 -0.109 0.000 3.067 14 T HA -0.032 4.318 4.350 -0.000 0.000 0.257 14 T C 1.644 176.305 174.700 -0.065 0.000 1.105 14 T CA 0.383 62.438 62.100 -0.074 0.000 1.104 14 T CB -0.072 68.764 68.868 -0.053 0.000 0.925 14 T HN 0.269 nan 8.240 nan 0.000 0.498 15 K N 0.447 120.804 120.400 -0.070 0.000 2.379 15 K HA 0.304 4.624 4.320 -0.000 0.000 0.194 15 K C 0.503 177.070 176.600 -0.057 0.000 1.031 15 K CA 0.311 56.565 56.287 -0.055 0.000 1.037 15 K CB 0.533 33.004 32.500 -0.047 0.000 0.824 15 K HN 0.456 nan 8.250 nan 0.000 0.516 16 E N 0.587 120.746 120.200 -0.069 0.000 2.367 16 E HA 0.260 4.610 4.350 -0.000 0.000 0.273 16 E C -1.480 175.078 176.600 -0.071 0.000 0.903 16 E CA -0.736 55.627 56.400 -0.062 0.000 0.764 16 E CB 1.684 31.351 29.700 -0.054 0.000 1.252 16 E HN -0.132 nan 8.360 nan 0.000 0.446 17 N N 2.727 121.390 118.700 -0.062 0.000 2.664 17 N HA 0.245 4.985 4.740 -0.000 0.000 0.268 17 N C -2.891 172.581 175.510 -0.062 0.000 1.222 17 N CA -1.399 51.608 53.050 -0.072 0.000 0.805 17 N CB 1.524 39.965 38.487 -0.077 0.000 1.399 17 N HN 0.224 nan 8.380 nan 0.000 0.547 18 P HA 0.212 nan 4.420 nan 0.000 0.276 18 P C -0.161 177.104 177.300 -0.059 0.000 1.252 18 P CA -0.670 62.381 63.100 -0.082 0.000 0.802 18 P CB 1.546 33.182 31.700 -0.106 0.000 1.035 19 L N 1.735 122.909 121.223 -0.082 0.000 2.361 19 L HA 0.095 4.435 4.340 -0.000 0.000 0.278 19 L C 0.520 177.388 176.870 -0.003 0.000 1.113 19 L CA -0.037 54.764 54.840 -0.065 0.000 0.849 19 L CB 0.125 42.094 42.059 -0.149 0.000 1.155 19 L HN 0.424 nan 8.230 nan 0.000 0.452 20 Q N 5.617 125.482 119.800 0.108 0.000 2.279 20 Q HA 0.431 4.771 4.340 -0.000 0.000 0.256 20 Q C -0.899 175.247 176.000 0.243 0.000 0.937 20 Q CA -0.097 55.863 55.803 0.261 0.000 0.933 20 Q CB 1.865 30.889 28.738 0.476 0.000 1.189 20 Q HN 0.561 nan 8.270 nan 0.000 0.417 21 I N 3.337 123.985 120.570 0.129 0.000 2.410 21 I HA 0.291 4.461 4.170 -0.000 0.000 0.286 21 I C -0.258 175.900 176.117 0.067 0.000 1.009 21 I CA -1.093 60.259 61.300 0.087 0.000 1.111 21 I CB 1.424 39.447 38.000 0.038 0.000 1.262 21 I HN 0.297 nan 8.210 nan 0.000 0.443 22 V N 2.483 122.381 119.914 -0.027 0.000 2.483 22 V HA 0.793 4.913 4.120 -0.000 0.000 0.295 22 V C 0.583 176.716 176.094 0.066 0.000 1.035 22 V CA -0.513 61.756 62.300 -0.053 0.000 0.896 22 V CB 1.212 32.760 31.823 -0.459 0.000 0.986 22 V HN 0.786 nan 8.190 nan 0.000 0.447 23 G N 3.002 111.905 108.800 0.171 0.000 2.398 23 G HA2 0.488 4.448 3.960 -0.000 0.000 0.246 23 G HA3 0.488 4.448 3.960 -0.000 0.000 0.246 23 G C 0.219 175.208 174.900 0.148 0.000 1.289 23 G CA 0.353 45.606 45.100 0.255 0.000 0.869 23 G HN 1.423 nan 8.290 nan 0.000 0.543 24 T N 1.311 115.938 114.554 0.122 0.000 2.833 24 T HA 0.286 4.636 4.350 -0.000 0.000 0.297 24 T C 1.158 175.897 174.700 0.065 0.000 1.015 24 T CA -0.810 61.367 62.100 0.128 0.000 0.963 24 T CB 1.443 70.379 68.868 0.113 0.000 0.955 24 T HN 0.215 nan 8.240 nan 0.000 0.449 25 I N 2.528 123.140 120.570 0.070 0.000 2.454 25 I HA -0.004 4.166 4.170 -0.000 0.000 0.254 25 I C 0.394 176.460 176.117 -0.086 0.000 1.156 25 I CA 1.278 62.542 61.300 -0.060 0.000 1.433 25 I CB -0.914 37.071 38.000 -0.025 0.000 1.082 25 I HN 0.921 nan 8.210 nan 0.000 0.432 26 N N -1.844 116.812 118.700 -0.074 0.000 3.039 26 N HA 0.314 5.054 4.740 -0.000 0.000 0.257 26 N C 0.370 175.875 175.510 -0.008 0.000 1.497 26 N CA 0.020 53.030 53.050 -0.067 0.000 0.861 26 N CB 0.452 38.872 38.487 -0.111 0.000 1.479 26 N HN -0.198 nan 8.380 nan 0.000 0.547 27 A N 0.136 122.956 122.820 -0.001 0.000 1.917 27 A HA -0.267 4.053 4.320 -0.000 0.000 0.219 27 A C 1.801 179.423 177.584 0.063 0.000 1.182 27 A CA 1.950 54.005 52.037 0.031 0.000 0.633 27 A CB -1.133 17.879 19.000 0.020 0.000 0.819 27 A HN 0.798 nan 8.150 nan 0.000 0.448 28 N N -0.794 117.941 118.700 0.058 0.000 2.069 28 N HA -0.222 4.518 4.740 -0.000 0.000 0.191 28 N C 1.600 177.252 175.510 0.237 0.000 1.031 28 N CA 1.892 55.015 53.050 0.121 0.000 0.852 28 N CB -0.388 38.164 38.487 0.108 0.000 1.018 28 N HN 0.589 nan 8.380 nan 0.000 0.423 29 H N 0.304 119.410 119.070 0.059 0.000 2.491 29 H HA 0.142 4.698 4.556 -0.000 0.000 0.290 29 H C 1.866 177.230 175.328 0.061 0.000 1.050 29 H CA 0.879 56.965 56.048 0.065 0.000 1.309 29 H CB -0.434 29.370 29.762 0.071 0.000 1.392 29 H HN 0.369 nan 8.280 nan 0.000 0.554 30 A N 0.534 123.460 122.820 0.177 0.000 1.930 30 A HA -0.070 4.250 4.320 -0.000 0.000 0.217 30 A C 2.424 180.081 177.584 0.121 0.000 1.175 30 A CA 0.946 53.059 52.037 0.125 0.000 0.627 30 A CB -0.679 18.379 19.000 0.097 0.000 0.815 30 A HN 0.336 nan 8.150 nan 0.000 0.443 31 L N -0.596 120.699 121.223 0.119 0.000 2.093 31 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 31 L C 2.443 179.380 176.870 0.111 0.000 1.085 31 L CA 0.826 55.731 54.840 0.108 0.000 0.755 31 L CB -0.498 41.621 42.059 0.100 0.000 0.904 31 L HN 0.365 nan 8.230 nan 0.000 0.435 32 L N -0.482 120.809 121.223 0.113 0.000 2.141 32 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 32 L C 2.843 179.782 176.870 0.114 0.000 1.094 32 L CA 0.960 55.852 54.840 0.086 0.000 0.763 32 L CB -0.688 41.385 42.059 0.024 0.000 0.908 32 L HN 0.235 nan 8.230 nan 0.000 0.437 33 A N -0.338 122.560 122.820 0.130 0.000 1.898 33 A HA -0.255 4.065 4.320 -0.000 0.000 0.216 33 A C 2.270 180.027 177.584 0.288 0.000 1.181 33 A CA 1.619 53.784 52.037 0.213 0.000 0.620 33 A CB -0.477 18.576 19.000 0.088 0.000 0.819 33 A HN 0.462 nan 8.150 nan 0.000 0.442 34 Q N -0.267 119.643 119.800 0.184 0.000 2.084 34 Q HA -0.170 4.170 4.340 -0.000 0.000 0.202 34 Q C 2.148 178.217 176.000 0.114 0.000 0.978 34 Q CA 1.555 57.447 55.803 0.150 0.000 0.844 34 Q CB -0.129 28.676 28.738 0.112 0.000 0.898 34 Q HN 0.655 nan 8.270 nan 0.000 0.426 35 R N -0.297 120.265 120.500 0.104 0.000 2.189 35 R HA -0.028 4.312 4.340 -0.000 0.000 0.223 35 R C 1.943 178.278 176.300 0.059 0.000 1.092 35 R CA 0.839 56.984 56.100 0.075 0.000 0.989 35 R CB -0.151 30.195 30.300 0.077 0.000 0.876 35 R HN 0.238 nan 8.270 nan 0.000 0.457 36 A N 0.255 123.128 122.820 0.088 0.000 2.238 36 A HA 0.212 4.532 4.320 -0.000 0.000 0.208 36 A C 1.495 179.022 177.584 -0.096 0.000 1.177 36 A CA 0.869 52.929 52.037 0.038 0.000 0.804 36 A CB -0.004 19.087 19.000 0.152 0.000 0.823 36 A HN 0.451 nan 8.150 nan 0.000 0.482 37 G N -2.638 106.133 108.800 -0.048 0.000 2.179 37 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.220 37 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.220 37 G C 0.045 174.852 174.900 -0.156 0.000 0.990 37 G CA 0.046 45.073 45.100 -0.122 0.000 0.646 37 G HN 0.369 nan 8.290 nan 0.000 0.517 38 Y N 0.856 121.173 120.300 0.028 0.000 2.457 38 Y HA 0.380 4.930 4.550 -0.000 0.000 0.341 38 Y C 1.870 177.795 175.900 0.042 0.000 1.240 38 Y CA 1.066 59.190 58.100 0.039 0.000 1.437 38 Y CB 0.551 39.046 38.460 0.059 0.000 1.328 38 Y HN 0.220 nan 8.280 nan 0.000 0.588 39 Q N 1.180 121.100 119.800 0.200 0.000 2.217 39 Q HA 0.517 4.856 4.340 -0.000 0.000 0.217 39 Q C -0.623 175.461 176.000 0.140 0.000 0.844 39 Q CA -0.004 55.872 55.803 0.122 0.000 0.957 39 Q CB 0.885 29.651 28.738 0.048 0.000 1.127 39 Q HN 0.612 nan 8.270 nan 0.000 0.503 40 A N 1.295 124.232 122.820 0.195 0.000 2.577 40 A HA 0.653 4.973 4.320 -0.000 0.000 0.297 40 A C -1.100 176.614 177.584 0.216 0.000 1.060 40 A CA -0.773 51.400 52.037 0.227 0.000 0.697 40 A CB 1.026 20.163 19.000 0.227 0.000 1.281 40 A HN 0.284 nan 8.150 nan 0.000 0.402 41 I N -1.488 119.213 120.570 0.218 0.000 3.206 41 I HA 0.909 5.079 4.170 -0.000 0.000 0.313 41 I C -0.935 175.330 176.117 0.246 0.000 1.103 41 I CA -1.187 60.220 61.300 0.178 0.000 0.985 41 I CB 2.092 40.170 38.000 0.131 0.000 1.240 41 I HN 0.719 nan 8.210 nan 0.000 0.464 42 Y N 2.031 122.363 120.300 0.054 0.000 2.524 42 Y HA 0.618 5.168 4.550 -0.000 0.000 0.347 42 Y C -1.852 174.070 175.900 0.036 0.000 1.005 42 Y CA -1.116 57.013 58.100 0.049 0.000 1.025 42 Y CB 2.069 40.564 38.460 0.058 0.000 1.275 42 Y HN 0.580 nan 8.280 nan 0.000 0.460 43 L N 6.017 126.920 121.223 -0.533 0.000 2.337 43 L HA 0.352 4.692 4.340 -0.000 0.000 0.269 43 L C -0.226 176.131 176.870 -0.856 0.000 1.018 43 L CA -0.352 54.197 54.840 -0.484 0.000 0.876 43 L CB 0.824 42.720 42.059 -0.272 0.000 1.236 43 L HN 0.798 nan 8.230 nan 0.000 0.436 44 S N 2.414 117.724 115.700 -0.649 0.000 2.533 44 S HA 0.161 4.631 4.470 -0.000 0.000 0.282 44 S C 1.400 175.889 174.600 -0.184 0.000 1.304 44 S CA 0.286 58.279 58.200 -0.345 0.000 1.063 44 S CB 1.506 64.721 63.200 0.025 0.000 0.881 44 S HN 0.802 nan 8.310 nan 0.000 0.493 45 G N 3.942 112.702 108.800 -0.067 0.000 2.402 45 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.216 45 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.216 45 G C 1.367 176.270 174.900 0.004 0.000 1.162 45 G CA 0.570 45.664 45.100 -0.009 0.000 0.777 45 G HN 0.917 nan 8.290 nan 0.000 0.539 46 G N 0.690 109.509 108.800 0.032 0.000 2.422 46 G HA2 0.098 4.058 3.960 -0.000 0.000 0.218 46 G HA3 0.098 4.058 3.960 -0.000 0.000 0.218 46 G C 1.713 176.585 174.900 -0.047 0.000 1.140 46 G CA 1.299 46.419 45.100 0.033 0.000 0.775 46 G HN 0.562 nan 8.290 nan 0.000 0.545 47 G N 0.430 109.149 108.800 -0.136 0.000 2.402 47 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.216 47 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.216 47 G C 1.739 176.457 174.900 -0.303 0.000 1.162 47 G CA 1.110 45.984 45.100 -0.376 0.000 0.777 47 G HN 0.299 nan 8.290 nan 0.000 0.539 48 V N 1.402 121.214 119.914 -0.170 0.000 2.358 48 V HA -0.085 4.035 4.120 -0.000 0.000 0.246 48 V C 3.280 179.333 176.094 -0.068 0.000 1.047 48 V CA 1.958 64.189 62.300 -0.117 0.000 1.035 48 V CB -0.671 31.103 31.823 -0.082 0.000 0.658 48 V HN 0.477 nan 8.190 nan 0.000 0.452 49 A N 0.047 122.845 122.820 -0.036 0.000 1.845 49 A HA -0.093 4.227 4.320 -0.000 0.000 0.215 49 A C 2.399 179.995 177.584 0.020 0.000 1.195 49 A CA 2.165 54.205 52.037 0.005 0.000 0.616 49 A CB -0.893 18.126 19.000 0.032 0.000 0.832 49 A HN 0.548 nan 8.150 nan 0.000 0.443 50 A N -1.092 121.743 122.820 0.025 0.000 1.929 50 A HA 0.245 4.565 4.320 -0.000 0.000 0.216 50 A C 2.297 179.997 177.584 0.194 0.000 1.176 50 A CA 1.862 53.972 52.037 0.122 0.000 0.628 50 A CB -1.026 18.104 19.000 0.216 0.000 0.816 50 A HN 0.679 nan 8.150 nan 0.000 0.444 51 G N -1.519 107.308 108.800 0.045 0.000 2.486 51 G HA2 0.067 4.027 3.960 -0.000 0.000 0.210 51 G HA3 0.067 4.027 3.960 -0.000 0.000 0.210 51 G C 1.755 176.702 174.900 0.078 0.000 1.168 51 G CA 1.026 46.223 45.100 0.161 0.000 0.820 51 G HN 0.444 nan 8.290 nan 0.000 0.544 52 S N 0.341 116.034 115.700 -0.012 0.000 2.387 52 S HA 0.105 4.575 4.470 -0.000 0.000 0.226 52 S C 2.059 176.664 174.600 0.008 0.000 1.026 52 S CA 0.665 58.860 58.200 -0.009 0.000 0.972 52 S CB -0.088 63.085 63.200 -0.044 0.000 0.814 52 S HN 0.257 nan 8.310 nan 0.000 0.477 53 L N -0.296 120.935 121.223 0.013 0.000 2.609 53 L HA 0.355 4.695 4.340 -0.000 0.000 0.230 53 L C 1.466 178.358 176.870 0.036 0.000 1.087 53 L CA 0.295 55.146 54.840 0.018 0.000 0.874 53 L CB -0.303 41.762 42.059 0.010 0.000 1.114 53 L HN 0.414 nan 8.230 nan 0.000 0.488 54 G N 1.661 110.497 108.800 0.060 0.000 2.198 54 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.260 54 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.260 54 G C -0.072 174.865 174.900 0.062 0.000 1.025 54 G CA 0.216 45.361 45.100 0.074 0.000 0.769 54 G HN 0.224 nan 8.290 nan 0.000 0.507 55 L N 0.464 121.722 121.223 0.058 0.000 2.333 55 L HA 0.607 4.947 4.340 -0.000 0.000 0.269 55 L C -1.651 175.256 176.870 0.061 0.000 1.010 55 L CA -2.626 52.245 54.840 0.051 0.000 0.818 55 L CB 2.017 44.100 42.059 0.040 0.000 1.306 55 L HN -0.088 nan 8.230 nan 0.000 0.430 56 P HA -0.002 nan 4.420 nan 0.000 0.272 56 P C -0.944 176.392 177.300 0.061 0.000 1.230 56 P CA -0.280 62.858 63.100 0.063 0.000 0.788 56 P CB 0.769 32.501 31.700 0.054 0.000 0.949 57 D N 1.238 121.678 120.400 0.066 0.000 2.767 57 D HA 0.110 4.750 4.640 -0.000 0.000 0.231 57 D C 0.222 176.556 176.300 0.057 0.000 1.105 57 D CA 0.214 54.251 54.000 0.062 0.000 1.024 57 D CB -1.214 39.628 40.800 0.069 0.000 1.123 57 D HN 0.215 nan 8.370 nan 0.000 0.470 58 L N 0.432 121.688 121.223 0.056 0.000 3.110 58 L HA 0.358 4.698 4.340 -0.000 0.000 0.266 58 L C 1.349 178.251 176.870 0.053 0.000 1.257 58 L CA -0.321 54.553 54.840 0.058 0.000 1.038 58 L CB 0.357 42.452 42.059 0.060 0.000 1.395 58 L HN 0.378 nan 8.230 nan 0.000 0.566 59 G N 0.542 109.372 108.800 0.050 0.000 2.198 59 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.257 59 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.257 59 G C 0.593 175.534 174.900 0.068 0.000 1.042 59 G CA 0.542 45.673 45.100 0.051 0.000 0.791 59 G HN 0.444 nan 8.290 nan 0.000 0.502 60 I N 0.821 121.430 120.570 0.066 0.000 2.867 60 I HA 0.071 4.241 4.170 -0.000 0.000 0.265 60 I C 1.961 178.114 176.117 0.059 0.000 1.162 60 I CA 0.803 62.136 61.300 0.056 0.000 1.471 60 I CB -0.226 37.800 38.000 0.043 0.000 1.123 60 I HN 0.439 nan 8.210 nan 0.000 0.440 61 S N 1.579 117.322 115.700 0.072 0.000 2.568 61 S HA 0.200 4.670 4.470 -0.000 0.000 0.282 61 S C 0.301 174.948 174.600 0.079 0.000 1.338 61 S CA -0.430 57.803 58.200 0.054 0.000 1.045 61 S CB 0.595 63.832 63.200 0.062 0.000 0.873 61 S HN 0.387 nan 8.310 nan 0.000 0.516 62 T N -0.033 114.490 114.554 -0.053 0.000 2.919 62 T HA 0.494 4.844 4.350 -0.000 0.000 0.282 62 T C 0.936 175.273 174.700 -0.606 0.000 1.020 62 T CA -0.749 61.249 62.100 -0.170 0.000 0.994 62 T CB 0.750 69.543 68.868 -0.125 0.000 1.180 62 T HN 0.516 nan 8.240 nan 0.000 0.566 63 L N 0.929 121.608 121.223 -0.907 0.000 2.012 63 L HA 0.002 4.342 4.340 -0.000 0.000 0.210 63 L C 2.157 178.714 176.870 -0.522 0.000 1.073 63 L CA 2.647 56.831 54.840 -1.093 0.000 0.748 63 L CB -1.329 40.355 42.059 -0.624 0.000 0.891 63 L HN 0.978 nan 8.230 nan 0.000 0.431 64 D N -0.970 119.239 120.400 -0.320 0.000 2.149 64 D HA -0.237 4.403 4.640 -0.000 0.000 0.198 64 D C 1.670 177.866 176.300 -0.174 0.000 0.990 64 D CA 1.634 55.515 54.000 -0.198 0.000 0.839 64 D CB -0.116 40.603 40.800 -0.134 0.000 0.948 64 D HN 0.486 nan 8.370 nan 0.000 0.460 65 D N -0.326 119.966 120.400 -0.180 0.000 2.144 65 D HA -0.112 4.528 4.640 -0.000 0.000 0.199 65 D C 2.274 178.491 176.300 -0.138 0.000 0.984 65 D CA 0.741 54.663 54.000 -0.129 0.000 0.834 65 D CB -0.117 40.622 40.800 -0.102 0.000 0.955 65 D HN 0.227 nan 8.370 nan 0.000 0.465 66 V N 1.249 121.044 119.914 -0.199 0.000 2.453 66 V HA -0.164 3.956 4.120 -0.000 0.000 0.247 66 V C 2.669 178.680 176.094 -0.137 0.000 1.048 66 V CA 0.861 63.062 62.300 -0.165 0.000 1.049 66 V CB -0.377 31.328 31.823 -0.197 0.000 0.672 66 V HN 0.163 nan 8.190 nan 0.000 0.457 67 L N -0.308 120.820 121.223 -0.159 0.000 2.017 67 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 67 L C 2.700 179.520 176.870 -0.083 0.000 1.073 67 L CA 2.044 56.816 54.840 -0.114 0.000 0.745 67 L CB -1.023 40.963 42.059 -0.121 0.000 0.894 67 L HN 0.330 nan 8.230 nan 0.000 0.432 68 T N -0.651 113.852 114.554 -0.085 0.000 2.665 68 T HA -0.224 4.126 4.350 -0.000 0.000 0.268 68 T C 1.428 176.096 174.700 -0.054 0.000 1.035 68 T CA 1.842 63.905 62.100 -0.062 0.000 1.151 68 T CB -0.291 68.541 68.868 -0.061 0.000 0.862 68 T HN 0.322 nan 8.240 nan 0.000 0.438 69 D N 0.556 120.918 120.400 -0.063 0.000 2.178 69 D HA 0.027 4.667 4.640 -0.000 0.000 0.202 69 D C 2.021 178.293 176.300 -0.045 0.000 0.974 69 D CA 0.525 54.491 54.000 -0.056 0.000 0.841 69 D CB -0.333 40.423 40.800 -0.073 0.000 0.953 69 D HN 0.392 nan 8.370 nan 0.000 0.478 70 I N 0.476 121.017 120.570 -0.048 0.000 2.202 70 I HA -0.223 3.947 4.170 -0.000 0.000 0.242 70 I C 2.463 178.572 176.117 -0.013 0.000 1.091 70 I CA 0.969 62.252 61.300 -0.029 0.000 1.368 70 I CB -0.084 37.899 38.000 -0.028 0.000 1.058 70 I HN -0.078 nan 8.210 nan 0.000 0.410 71 R N 0.440 120.928 120.500 -0.021 0.000 2.075 71 R HA -0.110 4.230 4.340 -0.000 0.000 0.232 71 R C 2.476 178.774 176.300 -0.004 0.000 1.126 71 R CA 1.190 57.283 56.100 -0.011 0.000 0.963 71 R CB -0.270 30.018 30.300 -0.020 0.000 0.858 71 R HN 0.330 nan 8.270 nan 0.000 0.435 72 R N 0.359 120.853 120.500 -0.011 0.000 2.091 72 R HA -0.101 4.239 4.340 -0.000 0.000 0.238 72 R C 2.296 178.600 176.300 0.007 0.000 1.136 72 R CA 1.435 57.532 56.100 -0.005 0.000 0.959 72 R CB -0.329 29.963 30.300 -0.014 0.000 0.856 72 R HN 0.222 nan 8.270 nan 0.000 0.437 73 I N 0.100 120.674 120.570 0.007 0.000 2.133 73 I HA -0.249 3.921 4.170 -0.000 0.000 0.238 73 I C 2.552 178.690 176.117 0.035 0.000 1.074 73 I CA 1.763 63.076 61.300 0.022 0.000 1.342 73 I CB -0.532 37.479 38.000 0.020 0.000 1.053 73 I HN 0.328 nan 8.210 nan 0.000 0.404 74 T N -2.666 111.909 114.554 0.035 0.000 3.035 74 T HA -0.116 4.234 4.350 -0.000 0.000 0.268 74 T C 1.403 176.127 174.700 0.040 0.000 1.109 74 T CA 1.022 63.151 62.100 0.048 0.000 1.119 74 T CB -0.370 68.533 68.868 0.058 0.000 0.900 74 T HN 0.162 nan 8.240 nan 0.000 0.503 75 D N 0.613 121.031 120.400 0.028 0.000 2.178 75 D HA 0.001 4.641 4.640 -0.000 0.000 0.202 75 D C 1.964 178.280 176.300 0.027 0.000 0.974 75 D CA 0.577 54.591 54.000 0.024 0.000 0.841 75 D CB -0.075 40.736 40.800 0.017 0.000 0.953 75 D HN 0.373 nan 8.370 nan 0.000 0.478 76 V N -0.932 119.001 119.914 0.033 0.000 3.570 76 V HA 0.170 4.290 4.120 -0.000 0.000 0.257 76 V C 0.046 176.165 176.094 0.041 0.000 1.272 76 V CA 0.084 62.407 62.300 0.039 0.000 1.079 76 V CB 0.981 32.834 31.823 0.048 0.000 0.829 76 V HN 0.211 nan 8.190 nan 0.000 0.454 77 C N 1.027 120.355 119.300 0.047 0.000 2.319 77 C HA 0.545 5.005 4.460 -0.000 0.000 0.323 77 C C 1.943 176.967 174.990 0.056 0.000 1.277 77 C CA 0.058 59.110 59.018 0.056 0.000 1.517 77 C CB 0.712 28.494 27.740 0.071 0.000 2.206 77 C HN 0.597 nan 8.230 nan 0.000 0.486 78 S N 5.211 120.936 115.700 0.041 0.000 2.561 78 S HA 0.096 4.566 4.470 -0.000 0.000 0.225 78 S C 0.501 175.150 174.600 0.082 0.000 0.977 78 S CA 0.108 58.326 58.200 0.030 0.000 0.926 78 S CB -0.484 62.693 63.200 -0.037 0.000 0.769 78 S HN 0.775 nan 8.310 nan 0.000 0.533 79 L N 3.063 124.347 121.223 0.103 0.000 2.456 79 L HA 0.275 4.615 4.340 -0.000 0.000 0.272 79 L C -2.007 174.968 176.870 0.174 0.000 1.189 79 L CA -1.857 53.067 54.840 0.139 0.000 0.846 79 L CB -0.128 42.017 42.059 0.143 0.000 1.111 79 L HN 0.088 nan 8.230 nan 0.000 0.475 80 P HA 0.032 nan 4.420 nan 0.000 0.268 80 P C -0.916 176.518 177.300 0.223 0.000 1.204 80 P CA -0.026 63.225 63.100 0.251 0.000 0.768 80 P CB 1.089 33.008 31.700 0.365 0.000 0.842 81 L N 4.718 126.025 121.223 0.139 0.000 2.305 81 L HA 0.365 4.705 4.340 -0.000 0.000 0.284 81 L C -0.548 176.321 176.870 -0.001 0.000 1.013 81 L CA -1.269 53.627 54.840 0.094 0.000 0.819 81 L CB 1.403 43.505 42.059 0.073 0.000 1.227 81 L HN 0.237 nan 8.230 nan 0.000 0.417 82 L N 6.440 127.670 121.223 0.010 0.000 2.292 82 L HA 0.517 4.857 4.340 -0.000 0.000 0.284 82 L C -0.857 176.020 176.870 0.011 0.000 1.065 82 L CA 0.034 54.828 54.840 -0.076 0.000 0.806 82 L CB 1.646 43.708 42.059 0.004 0.000 1.175 82 L HN 0.332 nan 8.230 nan 0.000 0.431 83 V N 3.803 123.668 119.914 -0.083 0.000 2.555 83 V HA 0.349 4.469 4.120 -0.000 0.000 0.302 83 V C -0.636 175.261 176.094 -0.329 0.000 1.038 83 V CA -0.839 61.351 62.300 -0.183 0.000 0.887 83 V CB 1.657 33.429 31.823 -0.084 0.000 0.991 83 V HN 0.772 nan 8.190 nan 0.000 0.434 84 D N 3.547 123.683 120.400 -0.440 0.000 2.336 84 D HA 0.410 5.050 4.640 -0.000 0.000 0.249 84 D C 0.483 176.611 176.300 -0.286 0.000 1.213 84 D CA -0.064 53.582 54.000 -0.590 0.000 0.870 84 D CB 1.730 42.428 40.800 -0.169 0.000 1.076 84 D HN 0.667 nan 8.370 nan 0.000 0.483 85 A N 4.162 126.789 122.820 -0.321 0.000 2.500 85 A HA 0.196 4.516 4.320 -0.000 0.000 0.267 85 A C 0.952 178.267 177.584 -0.448 0.000 1.290 85 A CA -0.185 51.759 52.037 -0.154 0.000 0.928 85 A CB -0.031 18.946 19.000 -0.038 0.000 1.066 85 A HN 0.693 nan 8.150 nan 0.000 0.516 86 D N -0.092 120.112 120.400 -0.325 0.000 3.740 86 D HA -0.296 4.344 4.640 -0.000 0.000 0.147 86 D C 1.024 177.144 176.300 -0.299 0.000 0.885 86 D CA 2.335 56.139 54.000 -0.325 0.000 1.051 86 D CB -1.019 39.470 40.800 -0.518 0.000 0.480 86 D HN 0.771 nan 8.370 nan 0.000 0.469 87 I N -2.315 118.037 120.570 -0.364 0.000 3.904 87 I HA 0.503 4.673 4.170 -0.000 0.000 0.333 87 I C 1.222 177.198 176.117 -0.236 0.000 1.361 87 I CA 0.669 61.821 61.300 -0.245 0.000 1.116 87 I CB 0.619 38.508 38.000 -0.185 0.000 1.028 87 I HN 0.609 nan 8.210 nan 0.000 0.398 88 G N 0.820 109.415 108.800 -0.341 0.000 2.192 88 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.193 88 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.193 88 G C 0.124 174.994 174.900 -0.050 0.000 0.999 88 G CA -0.314 44.687 45.100 -0.164 0.000 0.659 88 G HN 0.254 nan 8.290 nan 0.000 0.503 89 F N -0.874 119.058 119.950 -0.030 0.000 2.807 89 F HA 0.181 4.708 4.527 -0.000 0.000 0.297 89 F C 1.148 176.937 175.800 -0.018 0.000 1.024 89 F CA 1.749 59.734 58.000 -0.026 0.000 1.008 89 F CB -1.240 37.745 39.000 -0.026 0.000 1.142 89 F HN 1.762 nan 8.300 nan 0.000 0.829 90 G N -0.656 108.180 108.800 0.060 0.000 2.312 90 G HA2 0.423 4.383 3.960 -0.000 0.000 0.347 90 G HA3 0.423 4.383 3.960 -0.000 0.000 0.347 90 G C 0.139 175.033 174.900 -0.011 0.000 1.564 90 G CA -0.349 44.777 45.100 0.042 0.000 0.981 90 G HN 0.819 nan 8.290 nan 0.000 0.678 91 S N -1.080 114.610 115.700 -0.017 0.000 2.528 91 S HA 0.460 4.930 4.470 -0.000 0.000 0.219 91 S C 1.199 175.763 174.600 -0.060 0.000 0.985 91 S CA 0.979 59.152 58.200 -0.044 0.000 0.914 91 S CB 0.444 63.620 63.200 -0.041 0.000 0.776 91 S HN 1.609 nan 8.310 nan 0.000 0.526 92 S N 0.353 116.022 115.700 -0.052 0.000 2.608 92 S HA 0.710 5.180 4.470 -0.000 0.000 0.291 92 S C 1.233 175.742 174.600 -0.151 0.000 1.146 92 S CA -0.210 57.914 58.200 -0.127 0.000 1.043 92 S CB 1.311 64.445 63.200 -0.110 0.000 1.037 92 S HN 0.355 nan 8.310 nan 0.000 0.520 93 A N 3.484 126.135 122.820 -0.282 0.000 1.986 93 A HA -0.003 4.317 4.320 -0.000 0.000 0.220 93 A C 1.498 179.026 177.584 -0.092 0.000 1.171 93 A CA 1.657 53.565 52.037 -0.214 0.000 0.640 93 A CB -0.935 17.895 19.000 -0.284 0.000 0.811 93 A HN 0.826 nan 8.150 nan 0.000 0.451 94 F N 0.792 120.740 119.950 -0.004 0.000 2.234 94 F HA -0.118 4.409 4.527 -0.000 0.000 0.299 94 F C 2.253 178.054 175.800 0.002 0.000 1.087 94 F CA 0.885 58.883 58.000 -0.003 0.000 1.340 94 F CB -0.818 38.180 39.000 -0.004 0.000 1.031 94 F HN 0.267 nan 8.300 nan 0.000 0.500 95 N N 0.444 119.243 118.700 0.165 0.000 2.171 95 N HA -0.102 4.638 4.740 -0.000 0.000 0.184 95 N C 2.174 177.737 175.510 0.088 0.000 1.021 95 N CA 1.326 54.444 53.050 0.114 0.000 0.854 95 N CB -0.715 37.824 38.487 0.087 0.000 0.994 95 N HN 0.143 nan 8.380 nan 0.000 0.426 96 V N 2.132 122.077 119.914 0.052 0.000 2.287 96 V HA -0.236 3.884 4.120 -0.000 0.000 0.248 96 V C 2.589 178.713 176.094 0.050 0.000 1.053 96 V CA 1.993 64.314 62.300 0.036 0.000 1.027 96 V CB -1.042 30.779 31.823 -0.003 0.000 0.646 96 V HN 0.294 nan 8.190 nan 0.000 0.447 97 A N -0.216 122.639 122.820 0.059 0.000 1.902 97 A HA -0.248 4.072 4.320 -0.000 0.000 0.217 97 A C 2.429 180.035 177.584 0.037 0.000 1.181 97 A CA 1.998 54.067 52.037 0.052 0.000 0.623 97 A CB -0.593 18.453 19.000 0.078 0.000 0.818 97 A HN 0.468 nan 8.150 nan 0.000 0.443 98 R N -0.877 119.655 120.500 0.053 0.000 2.120 98 R HA -0.113 4.227 4.340 -0.000 0.000 0.234 98 R C 2.056 178.363 176.300 0.012 0.000 1.123 98 R CA 1.877 57.992 56.100 0.025 0.000 0.975 98 R CB -0.441 29.879 30.300 0.032 0.000 0.866 98 R HN 0.520 nan 8.270 nan 0.000 0.446 99 T N 0.164 114.746 114.554 0.046 0.000 2.737 99 T HA -0.085 4.265 4.350 -0.000 0.000 0.265 99 T C 1.807 176.520 174.700 0.021 0.000 1.038 99 T CA 1.370 63.510 62.100 0.067 0.000 1.144 99 T CB -0.096 68.876 68.868 0.174 0.000 0.866 99 T HN 0.020 nan 8.240 nan 0.000 0.434 100 V N 1.591 121.510 119.914 0.009 0.000 2.261 100 V HA -0.196 3.924 4.120 -0.000 0.000 0.246 100 V C 2.452 178.422 176.094 -0.206 0.000 1.047 100 V CA 1.681 63.946 62.300 -0.058 0.000 1.015 100 V CB -0.479 31.340 31.823 -0.006 0.000 0.642 100 V HN 0.467 nan 8.190 nan 0.000 0.446 101 K N -0.067 120.251 120.400 -0.138 0.000 2.097 101 K HA -0.138 4.182 4.320 -0.000 0.000 0.206 101 K C 2.413 178.918 176.600 -0.158 0.000 1.049 101 K CA 1.712 57.903 56.287 -0.159 0.000 0.933 101 K CB -0.325 32.120 32.500 -0.091 0.000 0.717 101 K HN 0.354 nan 8.250 nan 0.000 0.442 102 S N 1.031 116.664 115.700 -0.111 0.000 2.368 102 S HA -0.059 4.411 4.470 -0.000 0.000 0.224 102 S C 1.919 176.450 174.600 -0.115 0.000 1.029 102 S CA 1.151 59.292 58.200 -0.098 0.000 0.988 102 S CB -0.073 63.082 63.200 -0.075 0.000 0.838 102 S HN 0.244 nan 8.310 nan 0.000 0.462 103 M N 0.523 120.049 119.600 -0.123 0.000 2.175 103 M HA -0.041 4.439 4.480 -0.000 0.000 0.264 103 M C 1.910 178.106 176.300 -0.174 0.000 1.063 103 M CA 1.275 56.517 55.300 -0.097 0.000 1.119 103 M CB -0.586 32.013 32.600 -0.002 0.000 1.377 103 M HN 0.289 nan 8.290 nan 0.000 0.415 104 I N 0.116 120.453 120.570 -0.389 0.000 2.202 104 I HA -0.309 3.861 4.170 -0.000 0.000 0.242 104 I C 2.562 178.569 176.117 -0.183 0.000 1.091 104 I CA 1.335 62.374 61.300 -0.436 0.000 1.368 104 I CB -0.442 37.191 38.000 -0.612 0.000 1.058 104 I HN 0.289 nan 8.210 nan 0.000 0.410 105 K N 1.417 121.727 120.400 -0.150 0.000 2.147 105 K HA -0.144 4.176 4.320 -0.000 0.000 0.205 105 K C 2.047 178.614 176.600 -0.055 0.000 1.049 105 K CA 1.314 57.550 56.287 -0.086 0.000 0.936 105 K CB -0.045 32.408 32.500 -0.078 0.000 0.722 105 K HN 0.301 nan 8.250 nan 0.000 0.446 106 A N -0.003 122.781 122.820 -0.059 0.000 2.119 106 A HA 0.084 4.404 4.320 -0.000 0.000 0.217 106 A C 1.508 179.087 177.584 -0.008 0.000 1.153 106 A CA 1.356 53.371 52.037 -0.035 0.000 0.692 106 A CB -0.330 18.644 19.000 -0.044 0.000 0.799 106 A HN 0.592 nan 8.150 nan 0.000 0.458 107 G N -2.828 105.973 108.800 0.002 0.000 2.227 107 G HA2 0.222 4.182 3.960 -0.000 0.000 0.168 107 G HA3 0.222 4.182 3.960 -0.000 0.000 0.168 107 G C 0.422 175.375 174.900 0.089 0.000 1.006 107 G CA 0.103 45.230 45.100 0.045 0.000 0.684 107 G HN 1.415 nan 8.290 nan 0.000 0.489 108 A N 0.346 123.231 122.820 0.108 0.000 2.466 108 A HA 0.768 5.088 4.320 -0.000 0.000 0.238 108 A C 1.632 179.408 177.584 0.320 0.000 1.074 108 A CA 1.134 53.289 52.037 0.198 0.000 0.774 108 A CB 0.646 19.798 19.000 0.254 0.000 1.015 108 A HN 1.669 nan 8.150 nan 0.000 0.498 109 A N 0.949 123.866 122.820 0.163 0.000 2.044 109 A HA 0.546 4.866 4.320 -0.000 0.000 0.213 109 A C 1.095 178.442 177.584 -0.395 0.000 1.169 109 A CA 1.310 53.371 52.037 0.040 0.000 0.724 109 A CB -0.244 18.755 19.000 -0.001 0.000 0.840 109 A HN 2.130 nan 8.150 nan 0.000 0.463 110 G N -1.485 106.939 108.800 -0.628 0.000 2.495 110 G HA2 0.580 4.540 3.960 -0.000 0.000 0.294 110 G HA3 0.580 4.540 3.960 -0.000 0.000 0.294 110 G C -1.609 172.917 174.900 -0.623 0.000 1.397 110 G CA -0.006 44.328 45.100 -1.276 0.000 0.790 110 G HN 1.060 nan 8.290 nan 0.000 0.486 111 L N -1.930 119.002 121.223 -0.485 0.000 2.568 111 L HA 0.825 5.165 4.340 -0.000 0.000 0.257 111 L C -0.613 176.214 176.870 -0.073 0.000 1.024 111 L CA -1.208 53.538 54.840 -0.156 0.000 0.854 111 L CB 1.935 44.025 42.059 0.051 0.000 1.460 111 L HN 0.953 nan 8.230 nan 0.000 0.409 112 H N 0.477 119.560 119.070 0.021 0.000 2.572 112 H HA 0.846 5.402 4.556 -0.000 0.000 0.359 112 H C -1.172 174.146 175.328 -0.017 0.000 1.134 112 H CA -0.926 55.138 56.048 0.026 0.000 1.187 112 H CB 2.339 32.176 29.762 0.125 0.000 1.597 112 H HN 0.901 nan 8.280 nan 0.000 0.524 113 I N -0.150 120.479 120.570 0.099 0.000 2.646 113 I HA 0.494 4.664 4.170 -0.000 0.000 0.299 113 I C -0.290 175.807 176.117 -0.033 0.000 1.036 113 I CA -1.081 60.214 61.300 -0.007 0.000 1.074 113 I CB 2.510 40.469 38.000 -0.067 0.000 1.258 113 I HN 0.754 nan 8.210 nan 0.000 0.430 114 E N 2.725 122.876 120.200 -0.081 0.000 2.299 114 E HA 0.326 4.676 4.350 -0.000 0.000 0.260 114 E C -1.099 175.417 176.600 -0.140 0.000 0.944 114 E CA -0.694 55.631 56.400 -0.124 0.000 0.815 114 E CB 1.775 31.394 29.700 -0.134 0.000 1.252 114 E HN 0.739 nan 8.360 nan 0.000 0.418 115 D N 0.179 120.508 120.400 -0.119 0.000 2.370 115 D HA 0.030 4.670 4.640 -0.000 0.000 0.230 115 D C 0.147 176.415 176.300 -0.053 0.000 1.143 115 D CA -0.301 53.645 54.000 -0.089 0.000 0.834 115 D CB 0.028 40.821 40.800 -0.012 0.000 0.944 115 D HN 0.273 nan 8.370 nan 0.000 0.504 116 Q N 0.011 119.770 119.800 -0.069 0.000 2.432 116 Q HA 0.138 4.478 4.340 -0.000 0.000 0.264 116 Q C 0.914 176.880 176.000 -0.056 0.000 1.035 116 Q CA -0.049 55.722 55.803 -0.053 0.000 0.908 116 Q CB 1.440 30.140 28.738 -0.062 0.000 1.280 116 Q HN -0.012 nan 8.270 nan 0.000 0.455 117 V N 1.895 121.785 119.914 -0.039 0.000 2.331 117 V HA 0.191 4.311 4.120 -0.000 0.000 0.242 117 V C 1.167 177.204 176.094 -0.094 0.000 1.034 117 V CA 1.650 63.919 62.300 -0.052 0.000 1.027 117 V CB -1.271 30.536 31.823 -0.026 0.000 0.667 117 V HN 1.083 nan 8.190 nan 0.000 0.457 118 G N -0.455 108.284 108.800 -0.101 0.000 2.545 118 G HA2 0.096 4.056 3.960 -0.000 0.000 0.216 118 G HA3 0.096 4.056 3.960 -0.000 0.000 0.216 118 G C -0.103 174.533 174.900 -0.440 0.000 1.314 118 G CA -0.239 44.759 45.100 -0.169 0.000 0.906 118 G HN 1.256 nan 8.290 nan 0.000 0.563 119 A N 0.123 122.635 122.820 -0.512 0.000 2.354 119 A HA 0.666 4.986 4.320 -0.000 0.000 0.281 119 A C 1.175 178.478 177.584 -0.467 0.000 1.174 119 A CA 0.989 52.492 52.037 -0.890 0.000 0.828 119 A CB 0.695 19.491 19.000 -0.340 0.000 1.099 119 A HN 1.285 nan 8.150 nan 0.000 0.516 120 K N 3.069 123.225 120.400 -0.406 0.000 2.020 120 K HA 0.092 4.412 4.320 -0.000 0.000 0.206 120 K C 0.611 177.188 176.600 -0.039 0.000 1.038 120 K CA 0.859 57.075 56.287 -0.119 0.000 0.947 120 K CB -0.231 32.257 32.500 -0.021 0.000 0.744 120 K HN 0.648 nan 8.250 nan 0.000 0.442 121 R N -0.390 120.130 120.500 0.035 0.000 2.608 121 R HA 0.324 4.664 4.340 -0.000 0.000 0.255 121 R C 1.044 177.380 176.300 0.061 0.000 1.086 121 R CA -0.272 55.856 56.100 0.046 0.000 1.125 121 R CB 0.507 30.843 30.300 0.060 0.000 1.193 121 R HN 0.258 nan 8.270 nan 0.000 0.553 122 C N 0.595 119.922 119.300 0.044 0.000 2.425 122 C HA -0.015 4.445 4.460 -0.000 0.000 0.277 122 C C 2.071 177.099 174.990 0.063 0.000 1.280 122 C CA 1.362 60.407 59.018 0.044 0.000 1.744 122 C CB -1.249 26.508 27.740 0.029 0.000 1.989 122 C HN 0.972 nan 8.230 nan 0.000 0.491 123 G N -0.705 108.133 108.800 0.063 0.000 3.233 123 G HA2 0.103 4.063 3.960 -0.000 0.000 0.227 123 G HA3 0.103 4.063 3.960 -0.000 0.000 0.227 123 G C 0.453 175.396 174.900 0.071 0.000 1.175 123 G CA -0.051 45.082 45.100 0.055 0.000 0.781 123 G HN 0.823 nan 8.290 nan 0.000 0.542 124 H N 1.694 120.766 119.070 0.004 0.000 3.046 124 H HA 0.160 4.716 4.556 -0.000 0.000 0.303 124 H C -0.235 175.096 175.328 0.005 0.000 1.002 124 H CA -0.027 56.023 56.048 0.004 0.000 1.460 124 H CB 0.708 30.472 29.762 0.002 0.000 1.493 124 H HN -0.053 nan 8.280 nan 0.000 0.559 125 R N 6.082 126.277 120.500 -0.507 0.000 2.459 125 R HA 0.252 4.592 4.340 -0.000 0.000 0.281 125 R C -2.177 173.742 176.300 -0.635 0.000 1.050 125 R CA -2.782 53.086 56.100 -0.387 0.000 1.055 125 R CB -0.184 29.990 30.300 -0.211 0.000 1.045 125 R HN 0.636 nan 8.270 nan 0.000 0.495 126 P HA -0.099 nan 4.420 nan 0.000 0.259 126 P C -0.512 176.728 177.300 -0.101 0.000 1.163 126 P CA 0.399 63.459 63.100 -0.066 0.000 0.760 126 P CB 0.443 32.143 31.700 -0.000 0.000 0.762 127 N N 2.325 121.037 118.700 0.021 0.000 2.416 127 N HA 0.257 4.997 4.740 -0.000 0.000 0.276 127 N C -0.743 174.810 175.510 0.071 0.000 1.261 127 N CA -0.812 52.259 53.050 0.034 0.000 0.790 127 N CB 1.680 40.204 38.487 0.063 0.000 1.554 127 N HN 0.082 nan 8.380 nan 0.000 0.481 128 K N 0.888 121.314 120.400 0.043 0.000 3.109 128 K HA 0.491 4.811 4.320 -0.000 0.000 0.214 128 K C -0.886 175.733 176.600 0.031 0.000 1.196 128 K CA -0.448 55.860 56.287 0.034 0.000 1.115 128 K CB 0.589 33.102 32.500 0.022 0.000 1.103 128 K HN 0.506 nan 8.250 nan 0.000 0.467 129 A N 1.525 124.370 122.820 0.042 0.000 2.293 129 A HA 0.664 4.984 4.320 -0.000 0.000 0.302 129 A C 0.064 177.660 177.584 0.021 0.000 1.119 129 A CA -0.746 51.310 52.037 0.033 0.000 0.823 129 A CB 0.344 19.369 19.000 0.042 0.000 1.097 129 A HN 0.526 nan 8.150 nan 0.000 0.491 130 I N 0.181 120.763 120.570 0.020 0.000 2.646 130 I HA 0.711 4.881 4.170 -0.000 0.000 0.299 130 I C 0.197 176.325 176.117 0.019 0.000 1.036 130 I CA -1.233 60.077 61.300 0.017 0.000 1.074 130 I CB 1.603 39.622 38.000 0.033 0.000 1.258 130 I HN 0.577 nan 8.210 nan 0.000 0.430 131 V N 1.952 121.872 119.914 0.009 0.000 3.503 131 V HA 0.330 4.450 4.120 -0.000 0.000 0.300 131 V C 0.906 177.020 176.094 0.034 0.000 1.099 131 V CA -0.029 62.276 62.300 0.008 0.000 1.117 131 V CB 0.799 32.614 31.823 -0.014 0.000 1.122 131 V HN 1.058 nan 8.190 nan 0.000 0.476 132 S N 0.600 116.318 115.700 0.030 0.000 2.589 132 S HA 0.131 4.601 4.470 -0.000 0.000 0.265 132 S C 1.011 175.661 174.600 0.083 0.000 1.342 132 S CA 0.402 58.628 58.200 0.044 0.000 1.005 132 S CB 0.542 63.758 63.200 0.028 0.000 0.909 132 S HN 1.032 nan 8.310 nan 0.000 0.555 133 K N 0.662 121.121 120.400 0.099 0.000 2.063 133 K HA -0.188 4.132 4.320 -0.000 0.000 0.208 133 K C 1.631 178.327 176.600 0.160 0.000 1.048 133 K CA 1.890 58.280 56.287 0.172 0.000 0.928 133 K CB -0.316 32.236 32.500 0.086 0.000 0.713 133 K HN 0.700 nan 8.250 nan 0.000 0.442 134 E N 0.702 120.951 120.200 0.082 0.000 2.077 134 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 134 E C 1.814 178.432 176.600 0.031 0.000 0.989 134 E CA 1.416 57.848 56.400 0.053 0.000 0.800 134 E CB -0.122 29.595 29.700 0.029 0.000 0.746 134 E HN 0.371 nan 8.360 nan 0.000 0.452 135 E N 0.195 120.406 120.200 0.019 0.000 2.051 135 E HA -0.180 4.170 4.350 -0.000 0.000 0.192 135 E C 1.874 178.450 176.600 -0.040 0.000 0.991 135 E CA 1.180 57.572 56.400 -0.014 0.000 0.799 135 E CB -0.178 29.512 29.700 -0.017 0.000 0.748 135 E HN 0.182 nan 8.360 nan 0.000 0.449 136 M N -0.418 119.157 119.600 -0.041 0.000 2.159 136 M HA -0.062 4.418 4.480 -0.000 0.000 0.263 136 M C 1.913 178.105 176.300 -0.181 0.000 1.063 136 M CA 1.163 56.358 55.300 -0.174 0.000 1.110 136 M CB -0.375 32.032 32.600 -0.323 0.000 1.374 136 M HN 0.096 nan 8.290 nan 0.000 0.411 137 V N 0.703 120.598 119.914 -0.033 0.000 2.332 137 V HA -0.302 3.818 4.120 -0.000 0.000 0.248 137 V C 1.970 178.049 176.094 -0.025 0.000 1.055 137 V CA 2.206 64.514 62.300 0.013 0.000 1.038 137 V CB -0.947 30.927 31.823 0.085 0.000 0.651 137 V HN 0.432 nan 8.190 nan 0.000 0.450 138 D N -0.426 119.954 120.400 -0.032 0.000 2.117 138 D HA -0.128 4.512 4.640 -0.000 0.000 0.197 138 D C 2.416 178.680 176.300 -0.060 0.000 0.987 138 D CA 1.091 55.067 54.000 -0.041 0.000 0.829 138 D CB -0.229 40.543 40.800 -0.047 0.000 0.961 138 D HN 0.392 nan 8.370 nan 0.000 0.460 139 R N 0.178 120.628 120.500 -0.082 0.000 2.081 139 R HA -0.026 4.314 4.340 -0.000 0.000 0.235 139 R C 2.551 178.804 176.300 -0.078 0.000 1.131 139 R CA 0.712 56.758 56.100 -0.090 0.000 0.960 139 R CB -0.248 29.981 30.300 -0.119 0.000 0.856 139 R HN 0.232 nan 8.270 nan 0.000 0.436 140 I N 0.319 120.831 120.570 -0.097 0.000 2.226 140 I HA -0.270 3.900 4.170 -0.000 0.000 0.245 140 I C 2.412 178.516 176.117 -0.022 0.000 1.100 140 I CA 1.307 62.566 61.300 -0.069 0.000 1.374 140 I CB -0.203 37.744 38.000 -0.089 0.000 1.057 140 I HN 0.136 nan 8.210 nan 0.000 0.413 141 R N 0.626 121.114 120.500 -0.019 0.000 2.081 141 R HA -0.141 4.199 4.340 -0.000 0.000 0.235 141 R C 2.440 178.740 176.300 0.000 0.000 1.131 141 R CA 1.532 57.632 56.100 -0.001 0.000 0.960 141 R CB -0.429 29.869 30.300 -0.003 0.000 0.856 141 R HN 0.369 nan 8.270 nan 0.000 0.436 142 A N 0.970 123.782 122.820 -0.014 0.000 1.930 142 A HA -0.061 4.259 4.320 -0.000 0.000 0.217 142 A C 2.321 179.913 177.584 0.013 0.000 1.175 142 A CA 1.526 53.559 52.037 -0.007 0.000 0.627 142 A CB -0.552 18.430 19.000 -0.030 0.000 0.815 142 A HN 0.394 nan 8.150 nan 0.000 0.443 143 A N -0.436 122.392 122.820 0.013 0.000 1.858 143 A HA -0.007 4.313 4.320 -0.000 0.000 0.216 143 A C 2.216 179.837 177.584 0.061 0.000 1.190 143 A CA 1.815 53.876 52.037 0.039 0.000 0.617 143 A CB -1.034 17.987 19.000 0.036 0.000 0.827 143 A HN 0.400 nan 8.150 nan 0.000 0.443 144 V N 0.772 120.717 119.914 0.052 0.000 2.343 144 V HA -0.276 3.844 4.120 -0.000 0.000 0.247 144 V C 2.324 178.450 176.094 0.055 0.000 1.051 144 V CA 2.523 64.861 62.300 0.063 0.000 1.036 144 V CB -0.935 30.917 31.823 0.049 0.000 0.654 144 V HN 0.787 nan 8.190 nan 0.000 0.451 145 D N 0.492 120.916 120.400 0.039 0.000 2.178 145 D HA -0.139 4.501 4.640 -0.000 0.000 0.201 145 D C 1.916 178.235 176.300 0.032 0.000 0.980 145 D CA 1.337 55.357 54.000 0.034 0.000 0.842 145 D CB -0.095 40.722 40.800 0.028 0.000 0.948 145 D HN 0.413 nan 8.370 nan 0.000 0.472 146 A N -0.200 122.640 122.820 0.032 0.000 2.169 146 A HA 0.044 4.363 4.320 -0.000 0.000 0.212 146 A C 0.871 178.453 177.584 -0.002 0.000 1.153 146 A CA -0.010 52.037 52.037 0.017 0.000 0.756 146 A CB -0.268 18.743 19.000 0.017 0.000 0.813 146 A HN 0.119 nan 8.150 nan 0.000 0.471 147 K N 0.954 121.369 120.400 0.025 0.000 2.491 147 K HA 0.085 4.405 4.320 -0.000 0.000 0.279 147 K C 1.033 177.625 176.600 -0.013 0.000 1.026 147 K CA 0.787 57.086 56.287 0.019 0.000 1.070 147 K CB 0.414 32.977 32.500 0.104 0.000 0.887 147 K HN 0.478 nan 8.250 nan 0.000 0.481 148 T N -1.941 112.574 114.554 -0.065 0.000 3.037 148 T HA -0.024 4.326 4.350 -0.000 0.000 0.251 148 T C 0.260 174.943 174.700 -0.028 0.000 1.079 148 T CA -0.056 62.014 62.100 -0.050 0.000 1.067 148 T CB 0.226 69.048 68.868 -0.077 0.000 0.948 148 T HN 0.447 nan 8.240 nan 0.000 0.496 149 D N 2.229 122.620 120.400 -0.015 0.000 2.425 149 D HA 0.299 4.939 4.640 -0.000 0.000 0.240 149 D C -1.759 174.589 176.300 0.081 0.000 1.080 149 D CA -2.558 51.459 54.000 0.028 0.000 0.836 149 D CB 2.483 43.306 40.800 0.037 0.000 1.125 149 D HN -0.094 nan 8.370 nan 0.000 0.525 150 P HA -0.096 nan 4.420 nan 0.000 0.219 150 P C 0.349 177.702 177.300 0.088 0.000 1.146 150 P CA 0.844 63.985 63.100 0.069 0.000 0.808 150 P CB 0.578 32.305 31.700 0.045 0.000 0.779 151 D N -1.437 119.018 120.400 0.091 0.000 2.340 151 D HA 0.031 4.671 4.640 -0.000 0.000 0.220 151 D C 0.513 176.884 176.300 0.118 0.000 1.039 151 D CA -0.158 53.896 54.000 0.089 0.000 0.866 151 D CB -0.372 40.464 40.800 0.061 0.000 0.913 151 D HN 0.152 nan 8.370 nan 0.000 0.523 152 F N 1.781 121.731 119.950 -0.000 0.000 2.518 152 F HA 0.069 4.596 4.527 -0.000 0.000 0.359 152 F C 0.113 175.908 175.800 -0.009 0.000 1.118 152 F CA -0.410 57.581 58.000 -0.015 0.000 1.287 152 F CB 0.722 39.709 39.000 -0.021 0.000 1.132 152 F HN -0.369 nan 8.300 nan 0.000 0.587 153 V N 7.261 126.721 119.914 -0.756 0.000 2.407 153 V HA 0.257 4.377 4.120 -0.000 0.000 0.278 153 V C -0.015 175.776 176.094 -0.506 0.000 1.037 153 V CA -0.767 61.232 62.300 -0.502 0.000 0.900 153 V CB 1.188 32.760 31.823 -0.418 0.000 0.983 153 V HN 0.417 nan 8.190 nan 0.000 0.459 154 I N 5.894 126.363 120.570 -0.169 0.000 2.330 154 I HA 0.411 4.581 4.170 -0.000 0.000 0.286 154 I C -0.076 176.028 176.117 -0.020 0.000 1.025 154 I CA -0.130 61.134 61.300 -0.059 0.000 1.197 154 I CB 1.150 39.169 38.000 0.031 0.000 1.358 154 I HN 0.646 nan 8.210 nan 0.000 0.467 155 M N 5.634 125.235 119.600 0.002 0.000 2.336 155 M HA 0.718 5.198 4.480 -0.000 0.000 0.342 155 M C -0.712 175.645 176.300 0.095 0.000 1.128 155 M CA -0.496 54.847 55.300 0.072 0.000 1.016 155 M CB 1.919 34.590 32.600 0.118 0.000 1.665 155 M HN 0.615 nan 8.290 nan 0.000 0.445 156 A N 5.049 127.919 122.820 0.083 0.000 2.292 156 A HA 0.619 4.939 4.320 -0.000 0.000 0.319 156 A C -0.783 176.827 177.584 0.044 0.000 1.206 156 A CA -0.746 51.310 52.037 0.032 0.000 0.835 156 A CB 0.759 19.763 19.000 0.006 0.000 1.164 156 A HN 0.964 nan 8.150 nan 0.000 0.505 157 R N 1.434 121.895 120.500 -0.065 0.000 2.445 157 R HA 0.610 4.950 4.340 -0.000 0.000 0.308 157 R C -0.950 175.258 176.300 -0.154 0.000 0.961 157 R CA -0.027 55.924 56.100 -0.248 0.000 0.862 157 R CB 1.430 31.367 30.300 -0.605 0.000 1.144 157 R HN 0.689 nan 8.270 nan 0.000 0.447 158 T N 1.344 115.831 114.554 -0.111 0.000 2.886 158 T HA 0.170 4.520 4.350 -0.000 0.000 0.292 158 T C -0.779 173.886 174.700 -0.057 0.000 1.012 158 T CA -0.645 61.458 62.100 0.005 0.000 0.982 158 T CB 1.518 70.496 68.868 0.183 0.000 1.018 158 T HN 0.686 nan 8.240 nan 0.000 0.451 159 D N 2.940 123.323 120.400 -0.029 0.000 2.525 159 D HA 0.461 5.101 4.640 -0.000 0.000 0.229 159 D C 1.561 177.871 176.300 0.017 0.000 1.202 159 D CA 0.212 54.196 54.000 -0.027 0.000 0.828 159 D CB -0.004 40.773 40.800 -0.038 0.000 1.008 159 D HN 0.597 nan 8.370 nan 0.000 0.493 160 A N -0.097 122.749 122.820 0.045 0.000 2.067 160 A HA -0.074 4.246 4.320 -0.000 0.000 0.219 160 A C 1.918 179.538 177.584 0.061 0.000 1.158 160 A CA 0.666 52.737 52.037 0.057 0.000 0.661 160 A CB -0.386 18.654 19.000 0.066 0.000 0.801 160 A HN 0.421 nan 8.150 nan 0.000 0.452 161 L N -0.411 120.860 121.223 0.081 0.000 2.056 161 L HA -0.007 4.333 4.340 -0.000 0.000 0.207 161 L C 2.470 179.369 176.870 0.047 0.000 1.078 161 L CA 2.217 57.109 54.840 0.088 0.000 0.749 161 L CB -0.564 41.569 42.059 0.122 0.000 0.901 161 L HN 0.286 nan 8.230 nan 0.000 0.433 162 A N -1.904 120.937 122.820 0.035 0.000 2.123 162 A HA 0.087 4.407 4.320 -0.000 0.000 0.214 162 A C 2.001 179.597 177.584 0.021 0.000 1.152 162 A CA 1.219 53.272 52.037 0.025 0.000 0.728 162 A CB -0.404 18.609 19.000 0.022 0.000 0.814 162 A HN 0.307 nan 8.150 nan 0.000 0.464 163 V N -0.616 119.312 119.914 0.023 0.000 2.581 163 V HA -0.000 4.120 4.120 -0.000 0.000 0.240 163 V C 1.510 177.614 176.094 0.017 0.000 1.054 163 V CA 1.459 63.771 62.300 0.020 0.000 1.076 163 V CB -0.336 31.500 31.823 0.022 0.000 0.748 163 V HN 0.592 nan 8.190 nan 0.000 0.474 164 E N -0.026 120.185 120.200 0.019 0.000 2.660 164 E HA 0.463 4.813 4.350 -0.000 0.000 0.216 164 E C 0.696 177.299 176.600 0.005 0.000 0.986 164 E CA 0.432 56.838 56.400 0.011 0.000 1.037 164 E CB 1.077 30.783 29.700 0.010 0.000 1.041 164 E HN 0.527 nan 8.360 nan 0.000 0.480 165 G N 1.310 110.116 108.800 0.009 0.000 2.758 165 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.686 165 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.686 165 G C 0.289 175.185 174.900 -0.007 0.000 1.389 165 G CA -0.308 44.791 45.100 -0.001 0.000 0.845 165 G HN 0.189 nan 8.290 nan 0.000 0.572 166 L N 0.140 121.346 121.223 -0.028 0.000 1.956 166 L HA -0.126 4.214 4.340 -0.000 0.000 0.216 166 L C 2.759 179.553 176.870 -0.125 0.000 1.073 166 L CA 2.548 57.342 54.840 -0.076 0.000 0.762 166 L CB -0.410 41.583 42.059 -0.109 0.000 0.889 166 L HN 0.789 nan 8.230 nan 0.000 0.433 167 D N -0.089 120.245 120.400 -0.110 0.000 2.133 167 D HA -0.239 4.401 4.640 -0.000 0.000 0.192 167 D C 2.055 178.298 176.300 -0.095 0.000 1.001 167 D CA 1.669 55.600 54.000 -0.114 0.000 0.844 167 D CB -0.115 40.635 40.800 -0.083 0.000 0.944 167 D HN 0.518 nan 8.370 nan 0.000 0.447 168 A N 1.074 123.856 122.820 -0.062 0.000 1.930 168 A HA -0.005 4.315 4.320 -0.000 0.000 0.217 168 A C 2.354 179.910 177.584 -0.047 0.000 1.175 168 A CA 2.077 54.085 52.037 -0.048 0.000 0.627 168 A CB -0.573 18.411 19.000 -0.026 0.000 0.815 168 A HN 0.250 nan 8.150 nan 0.000 0.443 169 A N 0.026 122.836 122.820 -0.015 0.000 1.902 169 A HA -0.085 4.235 4.320 -0.000 0.000 0.217 169 A C 2.098 179.719 177.584 0.062 0.000 1.181 169 A CA 1.540 53.620 52.037 0.072 0.000 0.623 169 A CB -0.568 18.563 19.000 0.217 0.000 0.818 169 A HN 0.490 nan 8.150 nan 0.000 0.443 170 I N -0.770 119.737 120.570 -0.105 0.000 2.394 170 I HA -0.210 3.960 4.170 -0.000 0.000 0.251 170 I C 2.520 178.572 176.117 -0.109 0.000 1.136 170 I CA 1.551 62.748 61.300 -0.172 0.000 1.425 170 I CB -0.277 37.518 38.000 -0.342 0.000 1.079 170 I HN 0.549 nan 8.210 nan 0.000 0.425 171 E N 1.316 121.448 120.200 -0.113 0.000 2.072 171 E HA -0.219 4.131 4.350 -0.000 0.000 0.191 171 E C 2.347 178.843 176.600 -0.173 0.000 0.985 171 E CA 1.056 57.390 56.400 -0.110 0.000 0.801 171 E CB 0.132 29.780 29.700 -0.086 0.000 0.750 171 E HN 0.383 nan 8.360 nan 0.000 0.452 172 R N 0.069 120.418 120.500 -0.253 0.000 2.066 172 R HA -0.070 4.270 4.340 -0.000 0.000 0.232 172 R C 2.467 178.244 176.300 -0.872 0.000 1.131 172 R CA 1.099 56.842 56.100 -0.596 0.000 0.955 172 R CB -0.333 29.597 30.300 -0.617 0.000 0.851 172 R HN 0.156 nan 8.270 nan 0.000 0.432 173 A N 1.302 123.869 122.820 -0.421 0.000 1.883 173 A HA -0.262 4.058 4.320 -0.000 0.000 0.217 173 A C 2.078 179.619 177.584 -0.071 0.000 1.186 173 A CA 1.488 53.427 52.037 -0.163 0.000 0.624 173 A CB -0.500 18.596 19.000 0.161 0.000 0.822 173 A HN 0.358 nan 8.150 nan 0.000 0.444 174 Q N -0.866 118.894 119.800 -0.067 0.000 2.084 174 Q HA -0.097 4.243 4.340 -0.000 0.000 0.202 174 Q C 2.412 178.410 176.000 -0.003 0.000 0.978 174 Q CA 1.396 57.189 55.803 -0.016 0.000 0.844 174 Q CB -0.373 28.349 28.738 -0.026 0.000 0.898 174 Q HN 0.698 nan 8.270 nan 0.000 0.426 175 A N 0.115 122.903 122.820 -0.053 0.000 1.969 175 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 175 A C 1.642 179.326 177.584 0.168 0.000 1.169 175 A CA 1.002 53.056 52.037 0.028 0.000 0.635 175 A CB -0.567 18.437 19.000 0.007 0.000 0.810 175 A HN 0.321 nan 8.150 nan 0.000 0.445 176 Y N -0.048 120.273 120.300 0.035 0.000 2.145 176 Y HA -0.138 4.412 4.550 -0.000 0.000 0.286 176 Y C 2.702 178.623 175.900 0.035 0.000 1.145 176 Y CA 0.669 58.789 58.100 0.033 0.000 1.148 176 Y CB -1.254 37.228 38.460 0.036 0.000 0.981 176 Y HN 0.101 nan 8.280 nan 0.000 0.507 177 V N 0.317 120.354 119.914 0.205 0.000 2.343 177 V HA -0.273 3.847 4.120 -0.000 0.000 0.247 177 V C 2.063 178.215 176.094 0.097 0.000 1.051 177 V CA 2.039 64.417 62.300 0.129 0.000 1.036 177 V CB -0.621 31.263 31.823 0.101 0.000 0.654 177 V HN 0.385 nan 8.190 nan 0.000 0.451 178 E N 0.256 120.508 120.200 0.088 0.000 2.204 178 E HA -0.149 4.201 4.350 -0.000 0.000 0.195 178 E C 2.089 178.730 176.600 0.068 0.000 0.990 178 E CA 1.123 57.562 56.400 0.066 0.000 0.821 178 E CB -0.253 29.479 29.700 0.053 0.000 0.750 178 E HN 0.617 nan 8.360 nan 0.000 0.477 179 A N 0.056 122.930 122.820 0.089 0.000 2.208 179 A HA 0.221 4.541 4.320 -0.000 0.000 0.209 179 A C 1.710 179.328 177.584 0.057 0.000 1.161 179 A CA 0.942 53.022 52.037 0.072 0.000 0.782 179 A CB -0.010 19.041 19.000 0.086 0.000 0.816 179 A HN 0.349 nan 8.150 nan 0.000 0.477 180 G N -2.370 106.469 108.800 0.064 0.000 2.205 180 G HA2 0.177 4.137 3.960 -0.000 0.000 0.180 180 G HA3 0.177 4.137 3.960 -0.000 0.000 0.180 180 G C 0.397 175.332 174.900 0.059 0.000 1.004 180 G CA -0.036 45.097 45.100 0.055 0.000 0.670 180 G HN 1.486 nan 8.290 nan 0.000 0.496 181 A N 0.486 123.350 122.820 0.074 0.000 2.548 181 A HA 0.544 4.864 4.320 -0.000 0.000 0.247 181 A C 1.061 178.690 177.584 0.075 0.000 1.067 181 A CA 1.241 53.323 52.037 0.075 0.000 0.757 181 A CB 0.107 19.177 19.000 0.117 0.000 0.996 181 A HN 0.517 nan 8.150 nan 0.000 0.504 182 E N 1.612 121.848 120.200 0.059 0.000 2.385 182 E HA 0.141 4.491 4.350 -0.000 0.000 0.194 182 E C -0.109 176.532 176.600 0.068 0.000 1.013 182 E CA 0.652 57.086 56.400 0.057 0.000 0.866 182 E CB 0.135 29.860 29.700 0.041 0.000 0.832 182 E HN 0.814 nan 8.360 nan 0.000 0.500 183 M N 0.546 120.191 119.600 0.076 0.000 2.534 183 M HA 0.344 4.824 4.480 -0.000 0.000 0.280 183 M C -1.771 174.590 176.300 0.101 0.000 1.217 183 M CA -0.884 54.468 55.300 0.087 0.000 0.893 183 M CB 2.605 35.263 32.600 0.097 0.000 1.730 183 M HN -0.100 nan 8.290 nan 0.000 0.483 184 L N 1.763 123.046 121.223 0.099 0.000 2.346 184 L HA 0.712 5.052 4.340 -0.000 0.000 0.274 184 L C -1.789 175.151 176.870 0.117 0.000 1.007 184 L CA -0.247 54.658 54.840 0.108 0.000 0.818 184 L CB 1.696 43.811 42.059 0.094 0.000 1.284 184 L HN 0.607 nan 8.230 nan 0.000 0.424 185 F N 7.312 127.207 119.950 -0.091 0.000 2.564 185 F HA 0.597 5.124 4.527 -0.000 0.000 0.368 185 F C -2.600 173.089 175.800 -0.185 0.000 1.127 185 F CA -3.073 54.838 58.000 -0.148 0.000 1.170 185 F CB 0.750 39.621 39.000 -0.215 0.000 1.397 185 F HN 0.291 nan 8.300 nan 0.000 0.493 186 P HA 0.169 nan 4.420 nan 0.000 0.293 186 P C -0.299 177.001 177.300 0.000 0.000 1.300 186 P CA -0.075 62.889 63.100 -0.226 0.000 0.792 186 P CB 1.649 32.784 31.700 -0.942 0.000 0.925 187 E N 2.532 122.709 120.200 -0.038 0.000 2.318 187 E HA 0.350 4.700 4.350 -0.000 0.000 0.265 187 E C 0.819 177.430 176.600 0.019 0.000 1.069 187 E CA -0.191 56.225 56.400 0.026 0.000 0.893 187 E CB 0.934 30.591 29.700 -0.072 0.000 1.076 187 E HN 0.559 nan 8.360 nan 0.000 0.414 188 A N 2.366 125.220 122.820 0.056 0.000 2.847 188 A HA -0.220 4.100 4.320 -0.000 0.000 0.263 188 A C 0.378 177.977 177.584 0.025 0.000 1.391 188 A CA 0.631 52.694 52.037 0.043 0.000 0.866 188 A CB -2.322 16.696 19.000 0.030 0.000 1.057 188 A HN 0.474 nan 8.150 nan 0.000 0.673 189 I N 0.528 121.092 120.570 -0.011 0.000 2.496 189 I HA 0.215 4.385 4.170 -0.000 0.000 0.285 189 I C 1.705 177.851 176.117 0.047 0.000 1.080 189 I CA 0.792 62.032 61.300 -0.099 0.000 1.404 189 I CB 1.297 38.960 38.000 -0.561 0.000 1.403 189 I HN 0.568 nan 8.210 nan 0.000 0.539 190 T N 0.891 115.486 114.554 0.068 0.000 3.044 190 T HA 0.281 4.631 4.350 -0.000 0.000 0.260 190 T C 0.276 175.134 174.700 0.262 0.000 1.019 190 T CA -0.291 61.892 62.100 0.139 0.000 0.921 190 T CB 0.071 68.979 68.868 0.068 0.000 1.053 190 T HN 0.614 nan 8.240 nan 0.000 0.533 191 E N 0.614 120.941 120.200 0.211 0.000 2.272 191 E HA 0.507 4.857 4.350 -0.000 0.000 0.269 191 E C 0.224 176.886 176.600 0.104 0.000 0.877 191 E CA -0.709 55.820 56.400 0.215 0.000 0.755 191 E CB 2.544 32.300 29.700 0.093 0.000 1.192 191 E HN -0.037 nan 8.360 nan 0.000 0.422 192 L N 1.396 122.628 121.223 0.015 0.000 2.043 192 L HA -0.277 4.063 4.340 -0.000 0.000 0.212 192 L C 2.414 179.287 176.870 0.005 0.000 1.075 192 L CA 1.845 56.617 54.840 -0.114 0.000 0.752 192 L CB -0.524 41.399 42.059 -0.227 0.000 0.891 192 L HN 0.770 nan 8.230 nan 0.000 0.432 193 A N -0.422 122.394 122.820 -0.005 0.000 1.948 193 A HA -0.325 3.995 4.320 -0.000 0.000 0.220 193 A C 2.299 179.873 177.584 -0.017 0.000 1.177 193 A CA 2.335 54.362 52.037 -0.015 0.000 0.636 193 A CB -0.561 18.428 19.000 -0.018 0.000 0.815 193 A HN 0.422 nan 8.150 nan 0.000 0.449 194 M N -2.139 117.443 119.600 -0.029 0.000 2.117 194 M HA -0.153 4.327 4.480 -0.000 0.000 0.262 194 M C 1.922 178.251 176.300 0.048 0.000 1.065 194 M CA 1.697 56.972 55.300 -0.042 0.000 1.114 194 M CB -0.305 32.250 32.600 -0.074 0.000 1.361 194 M HN 0.495 nan 8.290 nan 0.000 0.408 195 Y N -0.373 119.990 120.300 0.106 0.000 2.165 195 Y HA -0.224 4.326 4.550 -0.000 0.000 0.286 195 Y C 2.589 178.542 175.900 0.089 0.000 1.155 195 Y CA 1.422 59.592 58.100 0.118 0.000 1.164 195 Y CB -0.585 37.868 38.460 -0.011 0.000 0.978 195 Y HN 0.165 nan 8.280 nan 0.000 0.513 196 R N 0.815 121.403 120.500 0.146 0.000 2.096 196 R HA -0.152 4.188 4.340 -0.000 0.000 0.235 196 R C 1.920 178.212 176.300 -0.013 0.000 1.127 196 R CA 1.454 57.555 56.100 0.002 0.000 0.968 196 R CB -0.445 29.792 30.300 -0.105 0.000 0.861 196 R HN 0.516 nan 8.270 nan 0.000 0.440 197 Q N -1.274 118.512 119.800 -0.023 0.000 2.079 197 Q HA -0.128 4.212 4.340 -0.000 0.000 0.200 197 Q C 2.015 177.946 176.000 -0.116 0.000 0.974 197 Q CA 1.392 57.129 55.803 -0.111 0.000 0.840 197 Q CB -0.132 28.488 28.738 -0.197 0.000 0.898 197 Q HN 0.248 nan 8.270 nan 0.000 0.430 198 F N 0.605 120.551 119.950 -0.007 0.000 2.146 198 F HA -0.139 4.388 4.527 -0.000 0.000 0.298 198 F C 2.436 178.256 175.800 0.033 0.000 1.096 198 F CA 1.087 59.096 58.000 0.015 0.000 1.275 198 F CB -0.575 38.451 39.000 0.044 0.000 1.008 198 F HN 0.042 nan 8.300 nan 0.000 0.480 199 A N -0.089 122.878 122.820 0.245 0.000 1.908 199 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 199 A C 2.016 179.663 177.584 0.105 0.000 1.181 199 A CA 2.177 54.317 52.037 0.172 0.000 0.627 199 A CB -0.858 18.249 19.000 0.178 0.000 0.818 199 A HN 0.308 nan 8.150 nan 0.000 0.445 200 D N -0.135 120.291 120.400 0.043 0.000 2.144 200 D HA -0.028 4.612 4.640 -0.000 0.000 0.200 200 D C 2.184 178.488 176.300 0.008 0.000 0.978 200 D CA 1.444 55.448 54.000 0.006 0.000 0.833 200 D CB -0.316 40.455 40.800 -0.047 0.000 0.961 200 D HN 0.454 nan 8.370 nan 0.000 0.470 201 A N 0.662 123.482 122.820 -0.000 0.000 1.968 201 A HA 0.038 4.358 4.320 -0.000 0.000 0.217 201 A C 1.233 178.837 177.584 0.034 0.000 1.169 201 A CA 0.776 52.808 52.037 -0.008 0.000 0.638 201 A CB -0.060 18.904 19.000 -0.061 0.000 0.812 201 A HN 0.164 nan 8.150 nan 0.000 0.446 202 V N -2.899 117.061 119.914 0.077 0.000 2.604 202 V HA 0.524 4.644 4.120 -0.000 0.000 0.305 202 V C -0.192 175.950 176.094 0.079 0.000 1.043 202 V CA -0.759 61.591 62.300 0.082 0.000 0.888 202 V CB 1.550 33.441 31.823 0.113 0.000 0.995 202 V HN 0.310 nan 8.190 nan 0.000 0.429 203 Q N 2.618 122.456 119.800 0.063 0.000 2.894 203 Q HA 0.473 4.813 4.340 -0.000 0.000 0.358 203 Q C -0.431 175.604 176.000 0.058 0.000 1.155 203 Q CA -0.169 55.668 55.803 0.057 0.000 0.960 203 Q CB 0.503 29.267 28.738 0.044 0.000 1.428 203 Q HN 1.030 nan 8.270 nan 0.000 0.437 204 V N -2.242 117.714 119.914 0.069 0.000 3.007 204 V HA 0.714 4.834 4.120 -0.000 0.000 0.311 204 V C -2.755 173.378 176.094 0.065 0.000 1.120 204 V CA -2.566 59.773 62.300 0.066 0.000 0.980 204 V CB 1.503 33.371 31.823 0.076 0.000 1.033 204 V HN 0.173 nan 8.190 nan 0.000 0.429 205 P HA 0.336 nan 4.420 nan 0.000 0.268 205 P C -0.480 176.845 177.300 0.042 0.000 1.205 205 P CA 0.200 63.322 63.100 0.036 0.000 0.771 205 P CB 0.990 32.703 31.700 0.022 0.000 0.858 206 I N 2.577 123.161 120.570 0.025 0.000 2.493 206 I HA 0.473 4.643 4.170 -0.000 0.000 0.298 206 I C -1.138 174.938 176.117 -0.068 0.000 0.998 206 I CA -1.509 59.800 61.300 0.015 0.000 1.137 206 I CB 1.740 39.784 38.000 0.073 0.000 1.310 206 I HN 0.218 nan 8.210 nan 0.000 0.445 207 L N 7.485 128.638 121.223 -0.116 0.000 2.317 207 L HA 0.818 5.158 4.340 -0.000 0.000 0.281 207 L C -0.670 175.991 176.870 -0.349 0.000 1.024 207 L CA -0.384 54.284 54.840 -0.286 0.000 0.810 207 L CB 1.518 43.330 42.059 -0.413 0.000 1.240 207 L HN 0.801 nan 8.230 nan 0.000 0.427 208 A N 4.237 126.798 122.820 -0.431 0.000 2.287 208 A HA 0.314 4.634 4.320 -0.000 0.000 0.317 208 A C -0.602 176.743 177.584 -0.398 0.000 1.220 208 A CA -0.622 51.186 52.037 -0.383 0.000 0.835 208 A CB 0.354 18.956 19.000 -0.662 0.000 1.180 208 A HN 0.864 nan 8.150 nan 0.000 0.500 209 N N 3.112 121.646 118.700 -0.276 0.000 2.439 209 N HA 0.299 5.039 4.740 -0.000 0.000 0.243 209 N C -0.696 174.750 175.510 -0.107 0.000 1.088 209 N CA -0.307 52.582 53.050 -0.269 0.000 0.940 209 N CB 0.173 38.640 38.487 -0.033 0.000 1.180 209 N HN 0.581 nan 8.380 nan 0.000 0.505 210 I N 2.758 123.207 120.570 -0.201 0.000 2.410 210 I HA 0.049 4.219 4.170 -0.000 0.000 0.288 210 I C 0.917 177.035 176.117 0.001 0.000 1.106 210 I CA -0.154 61.106 61.300 -0.067 0.000 1.389 210 I CB 0.474 38.444 38.000 -0.049 0.000 1.561 210 I HN 0.357 nan 8.210 nan 0.000 0.605 211 T N 1.756 116.314 114.554 0.008 0.000 2.899 211 T HA 0.333 4.683 4.350 -0.000 0.000 0.284 211 T C 0.224 174.909 174.700 -0.025 0.000 1.004 211 T CA -0.382 61.741 62.100 0.037 0.000 1.043 211 T CB 0.826 69.743 68.868 0.082 0.000 1.013 211 T HN 0.351 nan 8.240 nan 0.000 0.518 212 E N 1.412 121.558 120.200 -0.090 0.000 2.318 212 E HA 0.448 4.798 4.350 -0.000 0.000 0.265 212 E C -0.084 176.381 176.600 -0.226 0.000 1.069 212 E CA -0.396 55.776 56.400 -0.380 0.000 0.893 212 E CB 0.064 29.254 29.700 -0.851 0.000 1.076 212 E HN 0.621 nan 8.360 nan 0.000 0.414 213 F N -1.104 118.867 119.950 0.036 0.000 3.084 213 F HA -0.190 4.337 4.527 -0.000 0.000 0.286 213 F C 0.718 176.538 175.800 0.032 0.000 0.855 213 F CA 0.999 59.018 58.000 0.031 0.000 1.091 213 F CB -1.891 37.132 39.000 0.038 0.000 1.177 213 F HN 0.474 nan 8.300 nan 0.000 0.542 214 G N -0.946 107.925 108.800 0.119 0.000 3.107 214 G HA2 0.707 4.667 3.960 -0.000 0.000 0.232 214 G HA3 0.707 4.667 3.960 -0.000 0.000 0.232 214 G C 0.672 175.603 174.900 0.053 0.000 1.339 214 G CA -0.214 44.941 45.100 0.092 0.000 1.033 214 G HN 0.435 nan 8.290 nan 0.000 0.567 215 A N -1.187 121.658 122.820 0.042 0.000 2.123 215 A HA 0.321 4.641 4.320 -0.000 0.000 0.214 215 A C 1.501 179.083 177.584 -0.003 0.000 1.152 215 A CA 1.506 53.558 52.037 0.024 0.000 0.728 215 A CB -0.460 18.559 19.000 0.031 0.000 0.814 215 A HN 0.696 nan 8.150 nan 0.000 0.464 216 T N 2.041 116.591 114.554 -0.007 0.000 2.869 216 T HA 0.440 4.790 4.350 -0.000 0.000 0.295 216 T C -2.449 172.143 174.700 -0.180 0.000 0.987 216 T CA -1.940 60.130 62.100 -0.050 0.000 1.109 216 T CB 0.627 69.513 68.868 0.030 0.000 0.932 216 T HN 0.166 nan 8.240 nan 0.000 0.518 217 P HA 0.194 nan 4.420 nan 0.000 0.272 217 P C -0.408 176.551 177.300 -0.568 0.000 1.230 217 P CA -0.374 62.394 63.100 -0.553 0.000 0.788 217 P CB 0.529 31.747 31.700 -0.802 0.000 0.949 218 L N 1.652 122.672 121.223 -0.338 0.000 2.384 218 L HA 0.196 4.536 4.340 -0.000 0.000 0.258 218 L C 0.354 177.176 176.870 -0.080 0.000 1.266 218 L CA -0.504 54.239 54.840 -0.161 0.000 1.162 218 L CB -1.214 40.788 42.059 -0.094 0.000 1.375 218 L HN 0.166 nan 8.230 nan 0.000 0.420 219 F N 0.652 120.627 119.950 0.042 0.000 2.506 219 F HA 0.115 4.642 4.527 -0.000 0.000 0.351 219 F C 1.490 177.313 175.800 0.039 0.000 1.136 219 F CA -0.578 57.443 58.000 0.035 0.000 1.298 219 F CB 0.561 39.575 39.000 0.023 0.000 1.145 219 F HN 0.308 nan 8.300 nan 0.000 0.593 220 T N -2.321 112.383 114.554 0.249 0.000 2.874 220 T HA 0.254 4.604 4.350 -0.000 0.000 0.281 220 T C 1.287 176.050 174.700 0.106 0.000 0.994 220 T CA -0.051 62.136 62.100 0.145 0.000 1.015 220 T CB 1.181 70.107 68.868 0.095 0.000 1.028 220 T HN 0.711 nan 8.240 nan 0.000 0.523 221 T N -0.735 113.872 114.554 0.088 0.000 2.720 221 T HA -0.158 4.192 4.350 -0.000 0.000 0.268 221 T C 1.321 176.024 174.700 0.005 0.000 1.037 221 T CA 1.461 63.590 62.100 0.048 0.000 1.144 221 T CB -0.685 68.215 68.868 0.055 0.000 0.864 221 T HN 0.640 nan 8.240 nan 0.000 0.444 222 D N 1.457 121.865 120.400 0.013 0.000 2.117 222 D HA -0.052 4.588 4.640 -0.000 0.000 0.198 222 D C 2.278 178.570 176.300 -0.013 0.000 0.982 222 D CA 1.108 55.106 54.000 -0.003 0.000 0.828 222 D CB -0.261 40.543 40.800 0.006 0.000 0.967 222 D HN 0.626 nan 8.370 nan 0.000 0.464 223 E N 0.273 120.472 120.200 -0.001 0.000 2.077 223 E HA -0.106 4.244 4.350 -0.000 0.000 0.193 223 E C 2.374 178.899 176.600 -0.126 0.000 0.989 223 E CA 0.422 56.798 56.400 -0.038 0.000 0.800 223 E CB -0.034 29.674 29.700 0.014 0.000 0.746 223 E HN 0.262 nan 8.360 nan 0.000 0.452 224 L N 0.494 121.636 121.223 -0.134 0.000 2.056 224 L HA -0.167 4.173 4.340 -0.000 0.000 0.207 224 L C 2.759 179.542 176.870 -0.145 0.000 1.078 224 L CA 1.072 55.782 54.840 -0.217 0.000 0.749 224 L CB -0.365 41.570 42.059 -0.208 0.000 0.901 224 L HN 0.079 nan 8.230 nan 0.000 0.433 225 R N 0.341 120.787 120.500 -0.090 0.000 2.096 225 R HA -0.180 4.160 4.340 -0.000 0.000 0.235 225 R C 2.545 178.828 176.300 -0.027 0.000 1.127 225 R CA 1.718 57.775 56.100 -0.071 0.000 0.968 225 R CB -0.177 30.086 30.300 -0.062 0.000 0.861 225 R HN 0.443 nan 8.270 nan 0.000 0.440 226 S N -0.372 115.322 115.700 -0.011 0.000 2.419 226 S HA -0.049 4.421 4.470 -0.000 0.000 0.233 226 S C 1.740 176.409 174.600 0.114 0.000 1.016 226 S CA 0.909 59.133 58.200 0.040 0.000 0.974 226 S CB 0.054 63.257 63.200 0.005 0.000 0.786 226 S HN 0.422 nan 8.310 nan 0.000 0.492 227 A N -0.174 122.678 122.820 0.054 0.000 2.345 227 A HA 0.396 4.716 4.320 -0.000 0.000 0.225 227 A C 0.374 178.076 177.584 0.198 0.000 1.243 227 A CA 0.052 52.130 52.037 0.068 0.000 0.875 227 A CB -0.702 18.292 19.000 -0.010 0.000 0.929 227 A HN 0.610 nan 8.150 nan 0.000 0.502 228 H N -2.122 116.918 119.070 -0.050 0.000 2.941 228 H HA -0.133 4.423 4.556 -0.000 0.000 0.279 228 H C 0.045 175.340 175.328 -0.054 0.000 1.247 228 H CA 0.315 56.341 56.048 -0.036 0.000 1.129 228 H CB -2.724 27.037 29.762 -0.001 0.000 1.313 228 H HN 0.782 nan 8.280 nan 0.000 0.384 229 V N -2.518 117.375 119.914 -0.035 0.000 2.465 229 V HA 0.791 4.911 4.120 -0.000 0.000 0.279 229 V C 1.128 177.146 176.094 -0.126 0.000 1.045 229 V CA 0.056 62.278 62.300 -0.130 0.000 0.938 229 V CB 1.948 33.562 31.823 -0.348 0.000 0.986 229 V HN 0.344 nan 8.190 nan 0.000 0.467 230 A N 5.313 128.069 122.820 -0.107 0.000 2.081 230 A HA 0.461 4.781 4.320 -0.000 0.000 0.214 230 A C 0.912 178.419 177.584 -0.128 0.000 1.158 230 A CA 1.132 53.107 52.037 -0.103 0.000 0.724 230 A CB -0.171 18.787 19.000 -0.071 0.000 0.826 230 A HN 1.197 nan 8.150 nan 0.000 0.463 231 M N -2.635 116.869 119.600 -0.160 0.000 2.470 231 M HA 0.745 5.225 4.480 -0.000 0.000 0.285 231 M C -1.216 174.928 176.300 -0.259 0.000 1.213 231 M CA -0.772 54.424 55.300 -0.173 0.000 0.901 231 M CB 2.079 34.600 32.600 -0.131 0.000 1.718 231 M HN 0.038 nan 8.290 nan 0.000 0.469 232 A N 3.576 126.235 122.820 -0.268 0.000 2.287 232 A HA 0.772 5.092 4.320 -0.000 0.000 0.317 232 A C -1.192 175.981 177.584 -0.685 0.000 1.220 232 A CA -0.707 51.062 52.037 -0.445 0.000 0.835 232 A CB 1.184 20.003 19.000 -0.302 0.000 1.180 232 A HN 0.945 nan 8.150 nan 0.000 0.500 233 L N 2.855 123.603 121.223 -0.792 0.000 2.309 233 L HA 0.579 4.919 4.340 -0.000 0.000 0.282 233 L C -1.512 174.836 176.870 -0.870 0.000 1.036 233 L CA -0.586 53.800 54.840 -0.757 0.000 0.806 233 L CB 1.326 42.956 42.059 -0.715 0.000 1.220 233 L HN 0.811 nan 8.230 nan 0.000 0.429 234 Y N 4.884 125.093 120.300 -0.152 0.000 2.748 234 Y HA 0.277 4.827 4.550 -0.000 0.000 0.359 234 Y C -1.616 174.270 175.900 -0.023 0.000 1.030 234 Y CA -1.797 56.259 58.100 -0.073 0.000 1.169 234 Y CB 0.261 38.687 38.460 -0.058 0.000 1.127 234 Y HN 0.471 nan 8.280 nan 0.000 0.644 235 P HA -0.182 nan 4.420 nan 0.000 0.216 235 P C 0.636 178.104 177.300 0.281 0.000 1.153 235 P CA 1.736 64.975 63.100 0.232 0.000 0.858 235 P CB 0.786 32.627 31.700 0.235 0.000 0.789 236 L N -1.976 119.395 121.223 0.246 0.000 3.259 236 L HA 0.210 4.550 4.340 -0.000 0.000 0.292 236 L C 2.158 179.211 176.870 0.305 0.000 1.219 236 L CA -0.012 55.004 54.840 0.293 0.000 1.035 236 L CB -0.018 42.247 42.059 0.344 0.000 1.424 236 L HN -0.202 nan 8.230 nan 0.000 0.603 237 S N 1.486 117.315 115.700 0.216 0.000 2.389 237 S HA -0.334 4.136 4.470 -0.000 0.000 0.229 237 S C 2.241 176.930 174.600 0.149 0.000 1.048 237 S CA 2.081 60.371 58.200 0.150 0.000 1.117 237 S CB -0.325 62.925 63.200 0.085 0.000 1.020 237 S HN 0.543 nan 8.310 nan 0.000 0.430 238 A N 0.831 123.738 122.820 0.144 0.000 1.933 238 A HA -0.056 4.264 4.320 -0.000 0.000 0.218 238 A C 1.918 179.645 177.584 0.239 0.000 1.175 238 A CA 1.558 53.671 52.037 0.128 0.000 0.628 238 A CB -0.875 18.169 19.000 0.073 0.000 0.814 238 A HN 0.460 nan 8.150 nan 0.000 0.444 239 F N 1.017 121.058 119.950 0.152 0.000 2.095 239 F HA -0.204 4.323 4.527 -0.000 0.000 0.298 239 F C 2.418 178.299 175.800 0.135 0.000 1.104 239 F CA 1.929 60.024 58.000 0.157 0.000 1.232 239 F CB -0.194 38.891 39.000 0.141 0.000 0.987 239 F HN 0.091 nan 8.300 nan 0.000 0.475 240 R N 0.542 121.118 120.500 0.127 0.000 2.091 240 R HA -0.130 4.210 4.340 -0.000 0.000 0.238 240 R C 2.368 178.663 176.300 -0.008 0.000 1.136 240 R CA 1.336 57.444 56.100 0.014 0.000 0.959 240 R CB -1.512 28.909 30.300 0.200 0.000 0.856 240 R HN 0.443 nan 8.270 nan 0.000 0.437 241 A N 1.975 124.822 122.820 0.045 0.000 1.929 241 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 241 A C 2.303 179.892 177.584 0.008 0.000 1.176 241 A CA 1.405 53.460 52.037 0.029 0.000 0.628 241 A CB -0.469 18.552 19.000 0.036 0.000 0.816 241 A HN 0.440 nan 8.150 nan 0.000 0.444 242 M N -0.612 119.003 119.600 0.026 0.000 2.159 242 M HA -0.141 4.339 4.480 -0.000 0.000 0.263 242 M C 1.358 177.638 176.300 -0.032 0.000 1.063 242 M CA 2.300 57.627 55.300 0.046 0.000 1.110 242 M CB -0.672 32.040 32.600 0.187 0.000 1.374 242 M HN 0.200 nan 8.290 nan 0.000 0.411 243 N N 1.071 119.684 118.700 -0.146 0.000 2.142 243 N HA -0.143 4.597 4.740 -0.000 0.000 0.186 243 N C 1.885 177.356 175.510 -0.065 0.000 1.023 243 N CA 1.727 54.681 53.050 -0.160 0.000 0.852 243 N CB -0.542 37.748 38.487 -0.328 0.000 0.998 243 N HN 0.459 nan 8.380 nan 0.000 0.424 244 R N 0.973 121.442 120.500 -0.053 0.000 2.081 244 R HA 0.047 4.387 4.340 -0.000 0.000 0.235 244 R C 1.953 178.262 176.300 0.015 0.000 1.131 244 R CA 1.494 57.585 56.100 -0.015 0.000 0.960 244 R CB -0.513 29.777 30.300 -0.016 0.000 0.856 244 R HN 0.184 nan 8.270 nan 0.000 0.436 245 A N 0.204 123.028 122.820 0.006 0.000 1.933 245 A HA -0.028 4.292 4.320 -0.000 0.000 0.218 245 A C 2.347 179.929 177.584 -0.004 0.000 1.175 245 A CA 1.620 53.672 52.037 0.025 0.000 0.628 245 A CB -0.926 18.082 19.000 0.013 0.000 0.814 245 A HN 0.514 nan 8.150 nan 0.000 0.444 246 A N -0.331 122.456 122.820 -0.055 0.000 1.898 246 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 246 A C 2.038 179.503 177.584 -0.199 0.000 1.181 246 A CA 1.707 53.632 52.037 -0.188 0.000 0.620 246 A CB -0.526 18.399 19.000 -0.125 0.000 0.819 246 A HN 0.672 nan 8.150 nan 0.000 0.442 247 E N -0.942 119.266 120.200 0.014 0.000 2.051 247 E HA -0.319 4.031 4.350 -0.000 0.000 0.192 247 E C 1.924 178.589 176.600 0.109 0.000 0.991 247 E CA 1.566 58.042 56.400 0.127 0.000 0.799 247 E CB -0.319 29.440 29.700 0.098 0.000 0.748 247 E HN 0.751 nan 8.360 nan 0.000 0.449 248 H N 0.127 119.186 119.070 -0.018 0.000 2.353 248 H HA -0.117 4.439 4.556 -0.000 0.000 0.298 248 H C 1.939 177.249 175.328 -0.031 0.000 1.103 248 H CA 1.972 58.010 56.048 -0.017 0.000 1.293 248 H CB -0.351 29.395 29.762 -0.027 0.000 1.372 248 H HN 0.058 nan 8.280 nan 0.000 0.501 249 V N -0.005 119.802 119.914 -0.178 0.000 2.295 249 V HA -0.282 3.838 4.120 -0.000 0.000 0.246 249 V C 2.122 178.120 176.094 -0.160 0.000 1.049 249 V CA 1.982 64.127 62.300 -0.257 0.000 1.024 249 V CB -0.803 30.847 31.823 -0.288 0.000 0.648 249 V HN 0.439 nan 8.190 nan 0.000 0.447 250 Y N 0.992 121.262 120.300 -0.051 0.000 2.165 250 Y HA -0.189 4.361 4.550 -0.000 0.000 0.286 250 Y C 2.576 178.447 175.900 -0.048 0.000 1.155 250 Y CA 1.363 59.441 58.100 -0.038 0.000 1.164 250 Y CB -0.871 37.579 38.460 -0.017 0.000 0.978 250 Y HN 0.322 nan 8.280 nan 0.000 0.513 251 N N -0.339 118.422 118.700 0.102 0.000 2.135 251 N HA -0.130 4.610 4.740 -0.000 0.000 0.186 251 N C 2.103 177.601 175.510 -0.020 0.000 1.027 251 N CA 1.401 54.476 53.050 0.041 0.000 0.849 251 N CB -0.742 37.774 38.487 0.049 0.000 1.002 251 N HN 0.158 nan 8.380 nan 0.000 0.425 252 V N 1.731 121.576 119.914 -0.116 0.000 2.332 252 V HA -0.183 3.937 4.120 -0.000 0.000 0.248 252 V C 2.388 178.439 176.094 -0.072 0.000 1.055 252 V CA 1.097 63.314 62.300 -0.139 0.000 1.038 252 V CB -0.525 31.116 31.823 -0.303 0.000 0.651 252 V HN 0.202 nan 8.190 nan 0.000 0.450 253 L N 0.330 121.521 121.223 -0.053 0.000 2.046 253 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 253 L C 2.463 179.336 176.870 0.005 0.000 1.077 253 L CA 2.020 56.850 54.840 -0.016 0.000 0.747 253 L CB -0.803 41.263 42.059 0.011 0.000 0.896 253 L HN 0.197 nan 8.230 nan 0.000 0.432 254 R N -0.406 120.105 120.500 0.018 0.000 2.075 254 R HA -0.113 4.227 4.340 -0.000 0.000 0.232 254 R C 2.257 178.560 176.300 0.005 0.000 1.126 254 R CA 1.836 57.946 56.100 0.016 0.000 0.963 254 R CB -0.349 29.965 30.300 0.022 0.000 0.858 254 R HN 0.620 nan 8.270 nan 0.000 0.435 255 Q N -0.474 119.326 119.800 -0.001 0.000 2.083 255 Q HA -0.061 4.279 4.340 -0.000 0.000 0.198 255 Q C 1.457 177.455 176.000 -0.004 0.000 0.969 255 Q CA 1.202 57.004 55.803 -0.002 0.000 0.838 255 Q CB 0.094 28.831 28.738 -0.002 0.000 0.900 255 Q HN 0.268 nan 8.270 nan 0.000 0.436 256 E N -0.605 119.589 120.200 -0.010 0.000 2.385 256 E HA 0.041 4.391 4.350 -0.000 0.000 0.194 256 E C 1.203 177.799 176.600 -0.007 0.000 1.013 256 E CA 0.777 57.171 56.400 -0.010 0.000 0.866 256 E CB 0.484 30.174 29.700 -0.017 0.000 0.832 256 E HN 0.494 nan 8.360 nan 0.000 0.500 257 G N 1.378 110.175 108.800 -0.005 0.000 2.162 257 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.260 257 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.260 257 G C 0.431 175.329 174.900 -0.004 0.000 0.976 257 G CA 1.042 46.141 45.100 -0.002 0.000 0.655 257 G HN 0.449 nan 8.290 nan 0.000 0.533 258 T N -1.300 113.249 114.554 -0.009 0.000 2.886 258 T HA 0.502 4.851 4.350 -0.000 0.000 0.330 258 T C 0.629 175.317 174.700 -0.021 0.000 1.488 258 T CA 0.566 62.660 62.100 -0.011 0.000 1.054 258 T CB 1.417 70.279 68.868 -0.010 0.000 1.348 258 T HN 0.482 nan 8.240 nan 0.000 0.489 259 Q N 2.847 122.633 119.800 -0.024 0.000 2.319 259 Q HA 0.184 4.524 4.340 -0.000 0.000 0.202 259 Q C 1.535 177.514 176.000 -0.034 0.000 0.896 259 Q CA 0.102 55.882 55.803 -0.039 0.000 0.942 259 Q CB -0.116 28.598 28.738 -0.040 0.000 1.083 259 Q HN 0.803 nan 8.270 nan 0.000 0.510 260 K N 1.904 122.291 120.400 -0.022 0.000 2.127 260 K HA -0.225 4.095 4.320 -0.000 0.000 0.212 260 K C 1.913 178.504 176.600 -0.015 0.000 1.050 260 K CA 2.188 58.466 56.287 -0.016 0.000 0.929 260 K CB -0.132 32.361 32.500 -0.012 0.000 0.715 260 K HN 0.362 nan 8.250 nan 0.000 0.457 261 S N -0.501 115.188 115.700 -0.018 0.000 2.607 261 S HA -0.029 4.441 4.470 -0.000 0.000 0.224 261 S C 1.335 175.933 174.600 -0.003 0.000 0.969 261 S CA 0.598 58.793 58.200 -0.008 0.000 0.927 261 S CB 0.252 63.448 63.200 -0.007 0.000 0.772 261 S HN 0.263 nan 8.310 nan 0.000 0.533 262 V N -2.653 117.249 119.914 -0.021 0.000 3.253 262 V HA 0.440 4.560 4.120 -0.000 0.000 0.320 262 V C 1.505 177.596 176.094 -0.004 0.000 1.442 262 V CA -0.431 61.864 62.300 -0.008 0.000 1.097 262 V CB -0.665 31.113 31.823 -0.074 0.000 1.008 262 V HN 0.244 nan 8.190 nan 0.000 0.463 263 I N 3.349 123.914 120.570 -0.009 0.000 2.264 263 I HA -0.176 3.994 4.170 -0.000 0.000 0.248 263 I C 2.416 178.533 176.117 -0.000 0.000 1.111 263 I CA 2.407 63.702 61.300 -0.009 0.000 1.382 263 I CB -0.822 37.172 38.000 -0.011 0.000 1.060 263 I HN 0.632 nan 8.210 nan 0.000 0.418 264 D N -0.984 119.421 120.400 0.007 0.000 2.392 264 D HA -0.151 4.488 4.640 -0.000 0.000 0.228 264 D C 1.685 177.994 176.300 0.016 0.000 1.003 264 D CA 0.769 54.775 54.000 0.010 0.000 0.917 264 D CB -0.557 40.250 40.800 0.011 0.000 0.890 264 D HN 0.159 nan 8.370 nan 0.000 0.532 265 T N -0.896 113.672 114.554 0.023 0.000 3.069 265 T HA 0.219 4.569 4.350 -0.000 0.000 0.252 265 T C 0.622 175.332 174.700 0.017 0.000 1.053 265 T CA -0.346 61.772 62.100 0.030 0.000 0.964 265 T CB -0.143 68.766 68.868 0.068 0.000 1.005 265 T HN 0.072 nan 8.240 nan 0.000 0.532 266 M N 2.154 121.758 119.600 0.008 0.000 2.318 266 M HA 0.381 4.861 4.480 -0.000 0.000 0.347 266 M C 0.016 176.320 176.300 0.007 0.000 1.175 266 M CA -0.612 54.690 55.300 0.003 0.000 1.075 266 M CB 1.666 34.263 32.600 -0.006 0.000 1.614 266 M HN 0.050 nan 8.290 nan 0.000 0.456 267 Q N 2.711 122.520 119.800 0.014 0.000 2.274 267 Q HA 0.085 4.425 4.340 -0.000 0.000 0.280 267 Q C -0.253 175.754 176.000 0.013 0.000 1.047 267 Q CA -0.086 55.730 55.803 0.021 0.000 0.907 267 Q CB 0.762 29.522 28.738 0.037 0.000 1.171 267 Q HN 0.798 nan 8.270 nan 0.000 0.381 268 T N 1.200 115.759 114.554 0.008 0.000 2.748 268 T HA 0.080 4.430 4.350 -0.000 0.000 0.304 268 T C 1.002 175.690 174.700 -0.020 0.000 1.041 268 T CA -0.397 61.697 62.100 -0.010 0.000 1.033 268 T CB 0.992 69.852 68.868 -0.013 0.000 0.995 268 T HN 0.836 nan 8.240 nan 0.000 0.536 269 R N 0.447 120.906 120.500 -0.068 0.000 2.096 269 R HA -0.112 4.228 4.340 -0.000 0.000 0.235 269 R C 2.024 178.231 176.300 -0.154 0.000 1.127 269 R CA 1.329 57.345 56.100 -0.139 0.000 0.968 269 R CB -0.384 29.763 30.300 -0.255 0.000 0.861 269 R HN 0.647 nan 8.270 nan 0.000 0.440 270 N N 0.983 119.624 118.700 -0.099 0.000 2.120 270 N HA -0.172 4.568 4.740 -0.000 0.000 0.188 270 N C 1.451 177.018 175.510 0.094 0.000 1.024 270 N CA 1.442 54.489 53.050 -0.004 0.000 0.852 270 N CB -0.180 38.316 38.487 0.014 0.000 1.003 270 N HN 0.394 nan 8.380 nan 0.000 0.424 271 E N 0.702 120.941 120.200 0.065 0.000 2.110 271 E HA -0.107 4.243 4.350 -0.000 0.000 0.193 271 E C 2.017 178.688 176.600 0.119 0.000 0.988 271 E CA 0.325 56.778 56.400 0.088 0.000 0.804 271 E CB -0.072 29.662 29.700 0.057 0.000 0.745 271 E HN 0.268 nan 8.360 nan 0.000 0.458 272 L N 0.119 121.414 121.223 0.121 0.000 1.970 272 L HA -0.236 4.103 4.340 -0.000 0.000 0.212 272 L C 2.319 179.331 176.870 0.236 0.000 1.071 272 L CA 1.553 56.492 54.840 0.165 0.000 0.751 272 L CB -0.277 41.890 42.059 0.180 0.000 0.889 272 L HN 0.197 nan 8.230 nan 0.000 0.432 273 Y N 0.492 120.774 120.300 -0.030 0.000 2.165 273 Y HA -0.317 4.233 4.550 -0.000 0.000 0.286 273 Y C 2.708 178.604 175.900 -0.008 0.000 1.155 273 Y CA 1.786 59.825 58.100 -0.101 0.000 1.164 273 Y CB -0.635 37.646 38.460 -0.298 0.000 0.978 273 Y HN 0.369 nan 8.280 nan 0.000 0.513 274 E N -0.599 119.769 120.200 0.280 0.000 2.077 274 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 274 E C 2.253 178.959 176.600 0.176 0.000 0.989 274 E CA 1.399 57.965 56.400 0.277 0.000 0.800 274 E CB -0.086 29.766 29.700 0.254 0.000 0.746 274 E HN 0.318 nan 8.360 nan 0.000 0.452 275 S N 0.654 116.441 115.700 0.144 0.000 2.400 275 S HA -0.136 4.334 4.470 -0.000 0.000 0.232 275 S C 1.774 176.435 174.600 0.102 0.000 1.025 275 S CA 1.289 59.558 58.200 0.115 0.000 0.993 275 S CB -0.295 62.969 63.200 0.108 0.000 0.808 275 S HN 0.518 nan 8.310 nan 0.000 0.478 276 I N -1.600 119.021 120.570 0.085 0.000 3.889 276 I HA 0.350 4.520 4.170 -0.000 0.000 0.332 276 I C -0.696 175.466 176.117 0.074 0.000 1.493 276 I CA -0.445 60.890 61.300 0.059 0.000 1.158 276 I CB -0.354 37.650 38.000 0.006 0.000 1.117 276 I HN -0.092 nan 8.210 nan 0.000 0.411 277 N N 1.337 120.100 118.700 0.106 0.000 2.716 277 N HA -0.324 4.416 4.740 -0.000 0.000 0.250 277 N C 0.489 176.078 175.510 0.131 0.000 1.033 277 N CA 1.228 54.361 53.050 0.139 0.000 0.727 277 N CB -1.961 36.607 38.487 0.134 0.000 0.950 277 N HN 0.764 nan 8.380 nan 0.000 0.541 278 Y N 0.483 120.657 120.300 -0.211 0.000 2.114 278 Y HA -0.302 4.248 4.550 -0.000 0.000 0.282 278 Y C 1.741 177.491 175.900 -0.249 0.000 1.165 278 Y CA 1.981 59.811 58.100 -0.450 0.000 1.148 278 Y CB -0.365 37.486 38.460 -1.015 0.000 0.972 278 Y HN 0.329 nan 8.280 nan 0.000 0.504 279 Y N 0.152 120.650 120.300 0.330 0.000 2.497 279 Y HA -0.185 4.365 4.550 -0.000 0.000 0.292 279 Y C 2.356 178.324 175.900 0.113 0.000 1.137 279 Y CA 1.286 59.534 58.100 0.247 0.000 1.285 279 Y CB -0.900 37.694 38.460 0.223 0.000 0.991 279 Y HN 0.271 nan 8.280 nan 0.000 0.556 280 Q N -1.303 118.600 119.800 0.172 0.000 2.364 280 Q HA -0.171 4.169 4.340 -0.000 0.000 0.207 280 Q C 1.248 177.149 176.000 -0.165 0.000 0.970 280 Q CA 1.089 56.888 55.803 -0.007 0.000 0.888 280 Q CB -0.211 28.471 28.738 -0.094 0.000 0.951 280 Q HN 0.588 nan 8.270 nan 0.000 0.469 281 Y N 0.656 120.864 120.300 -0.153 0.000 2.184 281 Y HA -0.110 4.440 4.550 -0.000 0.000 0.290 281 Y C 2.163 178.001 175.900 -0.103 0.000 1.129 281 Y CA 0.857 58.852 58.100 -0.175 0.000 1.144 281 Y CB -0.046 38.226 38.460 -0.313 0.000 0.995 281 Y HN 0.075 nan 8.280 nan 0.000 0.513 282 E N 0.261 120.501 120.200 0.066 0.000 2.106 282 E HA -0.210 4.140 4.350 -0.000 0.000 0.192 282 E C 1.869 178.498 176.600 0.048 0.000 0.984 282 E CA 1.172 57.617 56.400 0.076 0.000 0.806 282 E CB -0.043 29.732 29.700 0.125 0.000 0.750 282 E HN 0.604 nan 8.360 nan 0.000 0.458 283 E N 0.640 120.865 120.200 0.041 0.000 2.085 283 E HA -0.239 4.111 4.350 -0.000 0.000 0.194 283 E C 2.010 178.580 176.600 -0.050 0.000 0.994 283 E CA 1.191 57.596 56.400 0.009 0.000 0.801 283 E CB -0.024 29.687 29.700 0.018 0.000 0.743 283 E HN -0.045 nan 8.360 nan 0.000 0.453 284 K N 1.466 121.806 120.400 -0.100 0.000 2.032 284 K HA -0.152 4.168 4.320 -0.000 0.000 0.209 284 K C 1.900 178.405 176.600 -0.159 0.000 1.048 284 K CA 1.298 57.490 56.287 -0.159 0.000 0.927 284 K CB -0.421 31.944 32.500 -0.225 0.000 0.712 284 K HN 0.078 nan 8.250 nan 0.000 0.441 285 L N 0.618 121.796 121.223 -0.075 0.000 2.012 285 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 285 L C 1.964 178.823 176.870 -0.019 0.000 1.073 285 L CA 1.643 56.477 54.840 -0.010 0.000 0.748 285 L CB -0.696 41.442 42.059 0.131 0.000 0.891 285 L HN 0.276 nan 8.230 nan 0.000 0.431 286 D N -0.318 120.084 120.400 0.004 0.000 2.144 286 D HA -0.192 4.448 4.640 -0.000 0.000 0.199 286 D C 1.982 178.258 176.300 -0.040 0.000 0.984 286 D CA 0.975 54.984 54.000 0.015 0.000 0.834 286 D CB -0.400 40.415 40.800 0.025 0.000 0.955 286 D HN 0.318 nan 8.370 nan 0.000 0.465 287 N N 0.682 119.327 118.700 -0.092 0.000 2.188 287 N HA -0.096 4.644 4.740 -0.000 0.000 0.184 287 N C 1.849 177.243 175.510 -0.192 0.000 1.018 287 N CA 0.546 53.527 53.050 -0.115 0.000 0.858 287 N CB -0.024 38.394 38.487 -0.114 0.000 0.989 287 N HN 0.211 nan 8.380 nan 0.000 0.426 288 L N -0.829 120.171 121.223 -0.372 0.000 2.162 288 L HA 0.096 4.436 4.340 -0.000 0.000 0.205 288 L C 0.436 176.959 176.870 -0.578 0.000 1.086 288 L CA 0.536 54.986 54.840 -0.650 0.000 0.778 288 L CB -0.142 41.162 42.059 -1.259 0.000 0.928 288 L HN -0.014 nan 8.230 nan 0.000 0.446 289 F N -1.396 118.551 119.950 -0.005 0.000 2.746 289 F HA 0.645 5.171 4.527 -0.000 0.000 0.378 289 F C 0.742 176.543 175.800 0.002 0.000 1.165 289 F CA -1.464 56.536 58.000 -0.001 0.000 1.089 289 F CB -0.165 38.835 39.000 0.001 0.000 1.439 289 F HN -0.286 nan 8.300 nan 0.000 0.516 290 A N 0.000 122.968 122.820 0.247 0.000 2.254 290 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 290 A CA 0.000 52.112 52.037 0.125 0.000 0.836 290 A CB 0.000 19.049 19.000 0.083 0.000 0.831 290 A HN 0.000 nan 8.150 nan 0.000 0.486