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 1eex_1_B DATA FIRST_RESID 46 DATA SEQUENCE GFLTEVGEAR QGTQQDEVII AVGPAFGLAQ TVNIVGIPHK SILREVIAGI DATA SEQUENCE EEEGIKARVI RCFKSSDVAF VAVEGNRLSG SGISIGIQSK GTTVIHQQGL DATA SEQUENCE PPLSNLELFP QAPLLTLETY RQIGKNAARY AKRESPQPVP TLNDQMARPK DATA SEQUENCE YQAKSAILHI KETKYVVTGK NPQELRVA 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 46 G HA2 0.000 nan 3.960 nan 0.000 0.244 46 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 46 G C 0.000 175.008 174.900 0.180 0.000 0.946 46 G CA 0.000 45.168 45.100 0.114 0.000 0.502 47 F N 0.516 120.471 119.950 0.007 0.000 2.899 47 F HA 0.626 5.154 4.527 0.000 0.000 0.337 47 F C -0.788 175.031 175.800 0.031 0.000 1.129 47 F CA -0.767 57.243 58.000 0.016 0.000 1.128 47 F CB 0.511 39.520 39.000 0.015 0.000 1.154 47 F HN 0.173 nan 8.300 nan 0.000 0.531 48 L N 2.003 122.965 121.223 -0.435 0.000 2.376 48 L HA 0.588 4.928 4.340 0.000 0.000 0.275 48 L C -0.780 175.992 176.870 -0.164 0.000 0.987 48 L CA -0.616 54.003 54.840 -0.369 0.000 0.828 48 L CB 2.294 44.026 42.059 -0.545 0.000 1.249 48 L HN 0.026 nan 8.230 nan 0.000 0.409 49 T N 1.373 115.876 114.554 -0.085 0.000 2.792 49 T HA 0.300 4.650 4.350 0.000 0.000 0.280 49 T C -0.415 174.271 174.700 -0.023 0.000 0.990 49 T CA -0.703 61.372 62.100 -0.041 0.000 0.960 49 T CB 1.392 70.250 68.868 -0.017 0.000 0.939 49 T HN 0.430 nan 8.240 nan 0.000 0.439 50 E N 1.818 122.015 120.200 -0.005 0.000 2.290 50 E HA 0.271 4.621 4.350 0.000 0.000 0.277 50 E C 0.639 177.248 176.600 0.015 0.000 1.035 50 E CA -0.386 56.026 56.400 0.019 0.000 0.873 50 E CB 0.884 30.617 29.700 0.056 0.000 1.029 50 E HN 0.511 nan 8.360 nan 0.000 0.419 51 V N 0.141 120.064 119.914 0.015 0.000 2.988 51 V HA 0.568 4.688 4.120 0.000 0.000 0.356 51 V C 0.379 176.480 176.094 0.012 0.000 1.380 51 V CA 0.167 62.473 62.300 0.010 0.000 1.184 51 V CB -0.157 31.670 31.823 0.007 0.000 1.204 51 V HN 0.802 nan 8.190 nan 0.000 0.530 52 G N 0.347 109.157 108.800 0.017 0.000 2.440 52 G HA2 -0.033 3.927 3.960 0.000 0.000 0.684 52 G HA3 -0.033 3.927 3.960 0.000 0.000 0.684 52 G C -0.668 174.246 174.900 0.024 0.000 1.309 52 G CA -0.326 44.782 45.100 0.014 0.000 0.931 52 G HN 0.710 nan 8.290 nan 0.000 0.612 53 E N 0.292 120.503 120.200 0.017 0.000 2.493 53 E HA 0.451 4.801 4.350 0.000 0.000 0.255 53 E C 1.014 177.630 176.600 0.025 0.000 0.999 53 E CA 0.244 56.659 56.400 0.025 0.000 0.934 53 E CB 0.431 30.138 29.700 0.012 0.000 0.940 53 E HN 1.299 nan 8.360 nan 0.000 0.473 54 A N 5.457 128.297 122.820 0.034 0.000 2.462 54 A HA 0.175 4.495 4.320 0.000 0.000 0.243 54 A C -0.040 177.555 177.584 0.017 0.000 1.076 54 A CA 0.078 52.129 52.037 0.023 0.000 0.773 54 A CB 0.420 19.432 19.000 0.021 0.000 1.010 54 A HN 0.740 nan 8.150 nan 0.000 0.493 55 R N 1.186 121.693 120.500 0.012 0.000 2.643 55 R HA 0.314 4.654 4.340 0.000 0.000 0.272 55 R C -0.222 176.083 176.300 0.008 0.000 0.995 55 R CA -0.952 55.154 56.100 0.010 0.000 1.032 55 R CB 0.693 30.998 30.300 0.008 0.000 1.126 55 R HN 0.778 nan 8.270 nan 0.000 0.505 56 Q N 0.996 120.800 119.800 0.007 0.000 2.286 56 Q HA 0.017 4.357 4.340 0.000 0.000 0.290 56 Q C 0.096 176.100 176.000 0.006 0.000 1.049 56 Q CA 0.500 56.306 55.803 0.006 0.000 0.923 56 Q CB 1.092 29.834 28.738 0.006 0.000 1.183 56 Q HN 0.804 nan 8.270 nan 0.000 0.383 57 G N 1.544 110.348 108.800 0.006 0.000 2.544 57 G HA2 0.167 4.127 3.960 0.000 0.000 0.242 57 G HA3 0.167 4.127 3.960 0.000 0.000 0.242 57 G C 0.779 175.684 174.900 0.007 0.000 1.247 57 G CA 0.212 45.316 45.100 0.006 0.000 0.840 57 G HN 0.724 nan 8.290 nan 0.000 0.578 58 T N -2.280 112.279 114.554 0.007 0.000 2.985 58 T HA 0.298 4.648 4.350 0.000 0.000 0.254 58 T C 0.587 175.291 174.700 0.008 0.000 1.021 58 T CA 0.074 62.178 62.100 0.007 0.000 0.957 58 T CB 0.426 69.297 68.868 0.006 0.000 1.047 58 T HN 0.410 nan 8.240 nan 0.000 0.511 59 Q N 1.403 121.208 119.800 0.009 0.000 2.451 59 Q HA 0.314 4.654 4.340 0.000 0.000 0.281 59 Q C -0.818 175.189 176.000 0.012 0.000 1.099 59 Q CA -0.642 55.166 55.803 0.009 0.000 0.806 59 Q CB 1.987 30.730 28.738 0.008 0.000 1.419 59 Q HN 0.362 nan 8.270 nan 0.000 0.427 60 Q N 1.403 121.211 119.800 0.013 0.000 3.254 60 Q HA 0.088 4.428 4.340 0.000 0.000 0.315 60 Q C -0.520 175.490 176.000 0.017 0.000 1.405 60 Q CA 0.159 55.972 55.803 0.017 0.000 0.966 60 Q CB -0.517 28.232 28.738 0.019 0.000 1.706 60 Q HN 0.553 nan 8.270 nan 0.000 0.525 61 D N -0.698 119.711 120.400 0.015 0.000 2.594 61 D HA 0.051 4.691 4.640 0.000 0.000 0.256 61 D C -0.157 176.152 176.300 0.014 0.000 1.393 61 D CA -0.238 53.770 54.000 0.014 0.000 0.797 61 D CB 0.343 41.150 40.800 0.011 0.000 1.110 61 D HN 0.535 nan 8.370 nan 0.000 0.495 62 E N -0.933 119.277 120.200 0.017 0.000 2.413 62 E HA 0.613 4.963 4.350 0.000 0.000 0.277 62 E C -1.538 175.075 176.600 0.021 0.000 0.958 62 E CA -1.188 55.222 56.400 0.016 0.000 0.779 62 E CB 2.144 31.850 29.700 0.011 0.000 1.278 62 E HN -0.156 nan 8.360 nan 0.000 0.456 63 V N 2.351 122.277 119.914 0.020 0.000 2.495 63 V HA 0.317 4.437 4.120 0.000 0.000 0.298 63 V C -0.290 175.809 176.094 0.009 0.000 1.031 63 V CA -0.918 61.397 62.300 0.024 0.000 0.871 63 V CB 1.574 33.419 31.823 0.036 0.000 0.988 63 V HN 0.672 nan 8.190 nan 0.000 0.432 64 I N 5.558 126.130 120.570 0.004 0.000 2.371 64 I HA 0.339 4.509 4.170 0.000 0.000 0.290 64 I C 0.040 176.140 176.117 -0.028 0.000 1.028 64 I CA 0.088 61.380 61.300 -0.014 0.000 1.345 64 I CB 1.330 39.319 38.000 -0.017 0.000 1.407 64 I HN 0.464 nan 8.210 nan 0.000 0.501 65 I N 5.850 126.389 120.570 -0.052 0.000 2.315 65 I HA 0.368 4.538 4.170 0.000 0.000 0.291 65 I C 0.409 176.446 176.117 -0.134 0.000 1.006 65 I CA -0.356 60.890 61.300 -0.090 0.000 1.265 65 I CB 1.394 39.327 38.000 -0.111 0.000 1.387 65 I HN 0.593 nan 8.210 nan 0.000 0.475 66 A N 7.226 129.962 122.820 -0.139 0.000 2.258 66 A HA 0.720 5.040 4.320 0.000 0.000 0.316 66 A C -0.302 177.141 177.584 -0.234 0.000 1.279 66 A CA -0.531 51.413 52.037 -0.155 0.000 0.876 66 A CB 0.802 19.742 19.000 -0.099 0.000 1.170 66 A HN 0.604 nan 8.150 nan 0.000 0.520 67 V N 1.039 120.765 119.914 -0.314 0.000 2.769 67 V HA 0.937 5.057 4.120 0.000 0.000 0.312 67 V C 0.620 176.559 176.094 -0.260 0.000 1.058 67 V CA -0.183 61.857 62.300 -0.434 0.000 0.952 67 V CB 1.102 32.407 31.823 -0.864 0.000 1.019 67 V HN 1.158 nan 8.190 nan 0.000 0.445 68 G N 2.318 111.032 108.800 -0.142 0.000 2.636 68 G HA2 0.418 4.378 3.960 0.000 0.000 0.246 68 G HA3 0.418 4.378 3.960 0.000 0.000 0.246 68 G C -1.162 173.674 174.900 -0.106 0.000 1.216 68 G CA -0.598 44.462 45.100 -0.067 0.000 0.854 68 G HN 0.757 nan 8.290 nan 0.000 0.572 69 P HA 0.010 nan 4.420 nan 0.000 0.234 69 P C 0.916 178.149 177.300 -0.112 0.000 1.167 69 P CA 1.226 64.200 63.100 -0.211 0.000 0.763 69 P CB 0.457 32.119 31.700 -0.064 0.000 0.835 70 A N -1.257 121.527 122.820 -0.059 0.000 2.430 70 A HA 0.230 4.550 4.320 0.000 0.000 0.243 70 A C 0.368 177.946 177.584 -0.009 0.000 1.254 70 A CA -0.591 51.348 52.037 -0.164 0.000 0.914 70 A CB -0.938 17.970 19.000 -0.154 0.000 0.998 70 A HN 0.103 nan 8.150 nan 0.000 0.515 71 F N 1.208 121.095 119.950 -0.104 0.000 2.543 71 F HA 0.397 4.924 4.527 0.000 0.000 0.375 71 F C 1.460 177.259 175.800 -0.001 0.000 1.075 71 F CA 1.342 59.297 58.000 -0.075 0.000 1.225 71 F CB 0.517 39.381 39.000 -0.227 0.000 1.099 71 F HN 0.379 nan 8.300 nan 0.000 0.561 72 G N 4.321 113.157 108.800 0.060 0.000 2.168 72 G HA2 -0.304 3.656 3.960 0.000 0.000 0.263 72 G HA3 -0.304 3.656 3.960 0.000 0.000 0.263 72 G C 0.185 175.060 174.900 -0.042 0.000 0.977 72 G CA 0.574 45.700 45.100 0.042 0.000 0.659 72 G HN 0.568 nan 8.290 nan 0.000 0.533 73 L N -0.650 120.535 121.223 -0.062 0.000 3.361 73 L HA 0.800 5.140 4.340 0.000 0.000 0.187 73 L C 2.797 179.594 176.870 -0.122 0.000 1.335 73 L CA 1.528 56.300 54.840 -0.113 0.000 1.736 73 L CB -1.344 40.608 42.059 -0.177 0.000 1.878 73 L HN 0.326 nan 8.230 nan 0.000 0.899 74 A N -0.823 121.874 122.820 -0.206 0.000 2.067 74 A HA -0.058 4.262 4.320 0.000 0.000 0.219 74 A C 0.834 178.376 177.584 -0.071 0.000 1.158 74 A CA 0.902 52.860 52.037 -0.132 0.000 0.661 74 A CB -0.378 18.514 19.000 -0.179 0.000 0.801 74 A HN 0.584 nan 8.150 nan 0.000 0.452 75 Q N -1.585 118.173 119.800 -0.070 0.000 2.342 75 Q HA 0.479 4.819 4.340 0.000 0.000 0.267 75 Q C 0.182 176.027 176.000 -0.259 0.000 1.038 75 Q CA 0.214 55.968 55.803 -0.081 0.000 0.832 75 Q CB 1.790 30.552 28.738 0.040 0.000 1.323 75 Q HN 0.357 nan 8.270 nan 0.000 0.448 76 T N -3.102 111.138 114.554 -0.524 0.000 3.087 76 T HA 0.316 4.666 4.350 0.000 0.000 0.283 76 T C 0.081 174.161 174.700 -1.034 0.000 0.956 76 T CA 0.033 61.691 62.100 -0.735 0.000 0.894 76 T CB 0.175 68.878 68.868 -0.275 0.000 1.160 76 T HN 0.392 nan 8.240 nan 0.000 0.532 77 V N 0.217 119.593 119.914 -0.896 0.000 3.078 77 V HA 0.814 4.934 4.120 0.000 0.000 0.311 77 V C -0.695 175.281 176.094 -0.196 0.000 1.138 77 V CA -1.379 60.629 62.300 -0.487 0.000 1.007 77 V CB 1.765 33.458 31.823 -0.217 0.000 1.045 77 V HN 0.405 nan 8.190 nan 0.000 0.432 78 N N 1.476 120.201 118.700 0.041 0.000 2.366 78 N HA 0.231 4.971 4.740 0.000 0.000 0.277 78 N C 0.912 176.459 175.510 0.061 0.000 1.275 78 N CA 0.097 53.232 53.050 0.141 0.000 0.964 78 N CB 0.592 39.186 38.487 0.178 0.000 1.167 78 N HN 0.910 nan 8.380 nan 0.000 0.568 79 I N -0.731 119.871 120.570 0.055 0.000 2.423 79 I HA -0.206 3.964 4.170 0.000 0.000 0.254 79 I C 0.951 177.048 176.117 -0.033 0.000 1.151 79 I CA 1.242 62.548 61.300 0.009 0.000 1.421 79 I CB 0.087 38.059 38.000 -0.047 0.000 1.079 79 I HN 0.483 nan 8.210 nan 0.000 0.431 80 V N -1.769 118.111 119.914 -0.057 0.000 3.121 80 V HA 0.597 4.717 4.120 0.000 0.000 0.344 80 V C 1.133 177.231 176.094 0.006 0.000 1.390 80 V CA 0.111 62.386 62.300 -0.041 0.000 1.177 80 V CB -0.616 31.149 31.823 -0.097 0.000 1.163 80 V HN 0.484 nan 8.190 nan 0.000 0.484 81 G N 1.033 109.836 108.800 0.004 0.000 2.157 81 G HA2 -0.237 3.723 3.960 0.000 0.000 0.248 81 G HA3 -0.237 3.723 3.960 0.000 0.000 0.248 81 G C -0.024 174.863 174.900 -0.022 0.000 0.979 81 G CA 0.202 45.294 45.100 -0.013 0.000 0.650 81 G HN 0.608 nan 8.290 nan 0.000 0.529 82 I N 2.134 122.707 120.570 0.005 0.000 2.496 82 I HA 0.240 4.410 4.170 0.000 0.000 0.285 82 I C -1.733 174.360 176.117 -0.040 0.000 1.080 82 I CA -2.075 59.227 61.300 0.003 0.000 1.404 82 I CB 0.927 38.965 38.000 0.064 0.000 1.403 82 I HN -0.125 nan 8.210 nan 0.000 0.539 83 P HA -0.008 nan 4.420 nan 0.000 0.265 83 P C 0.238 177.473 177.300 -0.110 0.000 1.193 83 P CA 0.283 63.289 63.100 -0.156 0.000 0.765 83 P CB 0.297 31.896 31.700 -0.169 0.000 0.823 84 H N 1.813 120.712 119.070 -0.284 0.000 2.390 84 H HA -0.209 4.347 4.556 0.000 0.000 0.298 84 H C 1.961 177.162 175.328 -0.213 0.000 1.106 84 H CA 1.136 56.977 56.048 -0.345 0.000 1.297 84 H CB 0.212 29.557 29.762 -0.696 0.000 1.375 84 H HN 0.465 nan 8.280 nan 0.000 0.509 85 K N 0.648 120.778 120.400 -0.450 0.000 2.032 85 K HA -0.146 4.174 4.320 0.000 0.000 0.209 85 K C 2.383 178.791 176.600 -0.321 0.000 1.048 85 K CA 1.666 57.448 56.287 -0.842 0.000 0.927 85 K CB 0.074 32.009 32.500 -0.941 0.000 0.712 85 K HN 0.105 nan 8.250 nan 0.000 0.441 86 S N 0.857 116.426 115.700 -0.218 0.000 2.382 86 S HA -0.094 4.376 4.470 0.000 0.000 0.228 86 S C 1.884 176.425 174.600 -0.099 0.000 1.027 86 S CA 1.123 59.248 58.200 -0.125 0.000 0.991 86 S CB -0.192 62.953 63.200 -0.092 0.000 0.823 86 S HN 0.256 nan 8.310 nan 0.000 0.469 87 I N 0.766 121.260 120.570 -0.127 0.000 2.202 87 I HA -0.150 4.020 4.170 0.000 0.000 0.242 87 I C 2.185 178.213 176.117 -0.148 0.000 1.091 87 I CA 0.792 61.922 61.300 -0.283 0.000 1.368 87 I CB -0.249 37.473 38.000 -0.464 0.000 1.058 87 I HN 0.221 nan 8.210 nan 0.000 0.410 88 L N 0.849 122.083 121.223 0.018 0.000 2.083 88 L HA -0.196 4.144 4.340 0.000 0.000 0.209 88 L C 2.594 179.479 176.870 0.025 0.000 1.083 88 L CA 1.691 56.571 54.840 0.068 0.000 0.752 88 L CB -0.944 41.276 42.059 0.269 0.000 0.899 88 L HN 0.176 nan 8.230 nan 0.000 0.433 89 R N -0.549 119.950 120.500 -0.002 0.000 2.073 89 R HA -0.150 4.190 4.340 0.000 0.000 0.234 89 R C 1.933 178.231 176.300 -0.004 0.000 1.134 89 R CA 1.444 57.540 56.100 -0.007 0.000 0.952 89 R CB -0.070 30.209 30.300 -0.036 0.000 0.850 89 R HN 0.354 nan 8.270 nan 0.000 0.433 90 E N 0.258 120.453 120.200 -0.008 0.000 2.072 90 E HA -0.085 4.265 4.350 0.000 0.000 0.190 90 E C 2.152 178.766 176.600 0.023 0.000 0.982 90 E CA 0.931 57.340 56.400 0.016 0.000 0.803 90 E CB -0.276 29.450 29.700 0.043 0.000 0.755 90 E HN 0.167 nan 8.360 nan 0.000 0.453 91 V N 1.731 121.655 119.914 0.016 0.000 2.343 91 V HA -0.237 3.883 4.120 0.000 0.000 0.247 91 V C 2.441 178.541 176.094 0.009 0.000 1.051 91 V CA 1.375 63.687 62.300 0.020 0.000 1.036 91 V CB -0.461 31.363 31.823 0.002 0.000 0.654 91 V HN 0.195 nan 8.190 nan 0.000 0.451 92 I N 0.403 120.976 120.570 0.005 0.000 2.208 92 I HA -0.271 3.899 4.170 0.000 0.000 0.245 92 I C 2.610 178.732 176.117 0.009 0.000 1.097 92 I CA 1.580 62.885 61.300 0.008 0.000 1.363 92 I CB -0.509 37.499 38.000 0.014 0.000 1.051 92 I HN 0.305 nan 8.210 nan 0.000 0.413 93 A N 0.676 123.501 122.820 0.009 0.000 1.930 93 A HA -0.074 4.246 4.320 0.000 0.000 0.217 93 A C 2.433 180.021 177.584 0.006 0.000 1.175 93 A CA 1.648 53.689 52.037 0.007 0.000 0.627 93 A CB -1.318 17.686 19.000 0.006 0.000 0.815 93 A HN 0.454 nan 8.150 nan 0.000 0.443 94 G N 0.154 108.960 108.800 0.009 0.000 2.418 94 G HA2 -0.199 3.761 3.960 0.000 0.000 0.217 94 G HA3 -0.199 3.761 3.960 0.000 0.000 0.217 94 G C 1.519 176.422 174.900 0.005 0.000 1.158 94 G CA 1.178 46.281 45.100 0.006 0.000 0.771 94 G HN 0.471 nan 8.290 nan 0.000 0.545 95 I N 0.370 120.945 120.570 0.009 0.000 2.142 95 I HA -0.128 4.042 4.170 0.000 0.000 0.240 95 I C 2.779 178.900 176.117 0.007 0.000 1.078 95 I CA 1.277 62.583 61.300 0.010 0.000 1.343 95 I CB -0.225 37.783 38.000 0.013 0.000 1.046 95 I HN 0.218 nan 8.210 nan 0.000 0.405 96 E N 0.346 120.549 120.200 0.006 0.000 2.150 96 E HA -0.248 4.102 4.350 0.000 0.000 0.193 96 E C 2.038 178.639 176.600 0.002 0.000 0.985 96 E CA 0.831 57.234 56.400 0.005 0.000 0.814 96 E CB -0.087 29.616 29.700 0.006 0.000 0.752 96 E HN 0.444 nan 8.360 nan 0.000 0.466 97 E N 0.600 120.801 120.200 0.001 0.000 2.171 97 E HA -0.191 4.159 4.350 0.000 0.000 0.197 97 E C 1.170 177.768 176.600 -0.004 0.000 0.997 97 E CA 0.785 57.184 56.400 -0.002 0.000 0.810 97 E CB 0.197 29.895 29.700 -0.003 0.000 0.738 97 E HN 0.158 nan 8.360 nan 0.000 0.467 98 E N -0.795 119.403 120.200 -0.004 0.000 2.437 98 E HA 0.061 4.411 4.350 0.000 0.000 0.189 98 E C 0.625 177.223 176.600 -0.004 0.000 1.054 98 E CA 0.445 56.841 56.400 -0.007 0.000 0.874 98 E CB 0.803 30.495 29.700 -0.012 0.000 1.011 98 E HN 0.360 nan 8.360 nan 0.000 0.474 99 G N 1.754 110.554 108.800 -0.001 0.000 2.221 99 G HA2 -0.234 3.726 3.960 0.000 0.000 0.265 99 G HA3 -0.234 3.726 3.960 0.000 0.000 0.265 99 G C 0.184 175.086 174.900 0.004 0.000 1.041 99 G CA 0.096 45.196 45.100 0.001 0.000 0.807 99 G HN 0.194 nan 8.290 nan 0.000 0.502 100 I N -0.571 120.002 120.570 0.006 0.000 2.740 100 I HA 0.396 4.566 4.170 0.000 0.000 0.303 100 I C 0.605 176.728 176.117 0.009 0.000 1.044 100 I CA -1.147 60.159 61.300 0.009 0.000 1.064 100 I CB 1.816 39.824 38.000 0.014 0.000 1.249 100 I HN 0.020 nan 8.210 nan 0.000 0.433 101 K N 2.744 123.150 120.400 0.010 0.000 2.298 101 K HA 0.540 4.860 4.320 0.000 0.000 0.280 101 K C -0.244 176.361 176.600 0.009 0.000 1.032 101 K CA -0.372 55.920 56.287 0.009 0.000 0.958 101 K CB 1.140 33.645 32.500 0.008 0.000 0.978 101 K HN 0.693 nan 8.250 nan 0.000 0.472 102 A N 3.498 126.323 122.820 0.007 0.000 2.276 102 A HA 0.389 4.709 4.320 0.000 0.000 0.316 102 A C -0.401 177.183 177.584 -0.000 0.000 1.229 102 A CA -0.575 51.464 52.037 0.003 0.000 0.851 102 A CB 0.494 19.496 19.000 0.003 0.000 1.165 102 A HN 0.811 nan 8.150 nan 0.000 0.513 103 R N 2.390 122.886 120.500 -0.007 0.000 2.561 103 R HA 0.614 4.954 4.340 0.000 0.000 0.297 103 R C -1.800 174.484 176.300 -0.026 0.000 0.969 103 R CA -0.349 55.745 56.100 -0.011 0.000 0.879 103 R CB 1.758 32.054 30.300 -0.006 0.000 1.178 103 R HN 0.487 nan 8.270 nan 0.000 0.445 104 V N 6.444 126.339 119.914 -0.032 0.000 2.483 104 V HA 0.528 4.648 4.120 0.000 0.000 0.295 104 V C 0.156 176.213 176.094 -0.062 0.000 1.035 104 V CA -0.658 61.606 62.300 -0.061 0.000 0.896 104 V CB 1.460 33.245 31.823 -0.063 0.000 0.986 104 V HN 0.746 nan 8.190 nan 0.000 0.447 105 I N 1.538 122.055 120.570 -0.088 0.000 2.934 105 I HA 0.749 4.919 4.170 0.000 0.000 0.306 105 I C -0.625 175.411 176.117 -0.135 0.000 1.110 105 I CA -1.076 60.178 61.300 -0.076 0.000 1.019 105 I CB 2.233 40.206 38.000 -0.046 0.000 1.227 105 I HN 0.620 nan 8.210 nan 0.000 0.434 106 R N 3.625 124.043 120.500 -0.136 0.000 2.514 106 R HA 0.684 5.024 4.340 0.000 0.000 0.301 106 R C -1.592 174.461 176.300 -0.411 0.000 0.962 106 R CA -0.329 55.594 56.100 -0.294 0.000 0.882 106 R CB 1.567 31.666 30.300 -0.335 0.000 1.143 106 R HN 0.917 nan 8.270 nan 0.000 0.452 107 C N 4.057 123.084 119.300 -0.454 0.000 2.391 107 C HA 0.527 4.987 4.460 0.000 0.000 0.339 107 C C 0.488 175.150 174.990 -0.546 0.000 1.205 107 C CA -0.540 58.273 59.018 -0.342 0.000 1.937 107 C CB 0.601 28.264 27.740 -0.129 0.000 2.341 107 C HN 0.961 nan 8.230 nan 0.000 0.516 108 F N -0.363 119.603 119.950 0.026 0.000 2.778 108 F HA 0.186 4.713 4.527 0.000 0.000 0.314 108 F C 1.996 177.813 175.800 0.027 0.000 1.073 108 F CA -0.064 57.956 58.000 0.033 0.000 1.218 108 F CB -0.071 38.945 39.000 0.026 0.000 1.037 108 F HN 0.478 nan 8.300 nan 0.000 0.594 109 K N 0.079 120.586 120.400 0.179 0.000 2.288 109 K HA 0.063 4.383 4.320 0.000 0.000 0.201 109 K C 0.613 177.241 176.600 0.045 0.000 1.048 109 K CA 0.838 57.186 56.287 0.102 0.000 0.956 109 K CB 0.151 32.692 32.500 0.069 0.000 0.746 109 K HN 0.109 nan 8.250 nan 0.000 0.461 110 S N -1.008 114.726 115.700 0.057 0.000 2.547 110 S HA 0.171 4.641 4.470 0.000 0.000 0.270 110 S C -0.005 174.650 174.600 0.091 0.000 1.150 110 S CA -0.754 57.471 58.200 0.041 0.000 0.850 110 S CB 1.664 64.857 63.200 -0.011 0.000 1.118 110 S HN 0.104 nan 8.310 nan 0.000 0.461 111 S N 1.222 116.992 115.700 0.118 0.000 2.540 111 S HA 0.197 4.667 4.470 0.000 0.000 0.218 111 S C 0.293 175.069 174.600 0.293 0.000 0.977 111 S CA -0.261 58.037 58.200 0.163 0.000 0.918 111 S CB -0.262 62.991 63.200 0.088 0.000 0.806 111 S HN 0.771 nan 8.310 nan 0.000 0.496 112 D N 1.676 122.246 120.400 0.283 0.000 2.458 112 D HA 0.007 4.647 4.640 0.000 0.000 0.243 112 D C 1.130 177.551 176.300 0.202 0.000 1.146 112 D CA 0.075 54.234 54.000 0.264 0.000 0.877 112 D CB 1.620 42.625 40.800 0.343 0.000 1.176 112 D HN 0.040 nan 8.370 nan 0.000 0.461 113 V N 4.580 124.569 119.914 0.125 0.000 2.626 113 V HA -0.165 3.955 4.120 0.000 0.000 0.252 113 V C 2.172 178.299 176.094 0.055 0.000 1.067 113 V CA 2.186 64.537 62.300 0.086 0.000 1.081 113 V CB -0.295 31.572 31.823 0.074 0.000 0.686 113 V HN 0.719 nan 8.190 nan 0.000 0.468 114 A N -0.832 122.004 122.820 0.027 0.000 1.930 114 A HA -0.098 4.222 4.320 0.000 0.000 0.217 114 A C 1.946 179.381 177.584 -0.248 0.000 1.175 114 A CA 1.746 53.724 52.037 -0.098 0.000 0.627 114 A CB -0.687 18.188 19.000 -0.209 0.000 0.815 114 A HN 0.557 nan 8.150 nan 0.000 0.443 115 F N -0.507 119.435 119.950 -0.014 0.000 2.206 115 F HA -0.091 4.436 4.527 0.000 0.000 0.298 115 F C 2.394 178.162 175.800 -0.053 0.000 1.090 115 F CA 1.128 59.103 58.000 -0.040 0.000 1.323 115 F CB -0.309 38.688 39.000 -0.004 0.000 1.028 115 F HN 0.012 nan 8.300 nan 0.000 0.492 116 V N 0.244 120.230 119.914 0.121 0.000 2.252 116 V HA -0.384 3.736 4.120 0.000 0.000 0.249 116 V C 2.589 178.664 176.094 -0.032 0.000 1.056 116 V CA 2.093 64.411 62.300 0.030 0.000 1.022 116 V CB -1.300 30.532 31.823 0.016 0.000 0.641 116 V HN 0.375 nan 8.190 nan 0.000 0.445 117 A N -0.722 122.064 122.820 -0.056 0.000 1.933 117 A HA -0.152 4.168 4.320 0.000 0.000 0.218 117 A C 2.366 179.826 177.584 -0.206 0.000 1.175 117 A CA 1.944 53.927 52.037 -0.090 0.000 0.628 117 A CB -0.623 18.369 19.000 -0.013 0.000 0.814 117 A HN 0.350 nan 8.150 nan 0.000 0.444 118 V N 0.278 119.998 119.914 -0.323 0.000 2.407 118 V HA -0.253 3.867 4.120 0.000 0.000 0.248 118 V C 2.390 178.402 176.094 -0.137 0.000 1.055 118 V CA 2.134 64.223 62.300 -0.352 0.000 1.049 118 V CB -0.760 30.848 31.823 -0.360 0.000 0.662 118 V HN 0.619 nan 8.190 nan 0.000 0.455 119 E N 0.261 120.427 120.200 -0.056 0.000 2.118 119 E HA -0.202 4.148 4.350 0.000 0.000 0.195 119 E C 2.280 178.862 176.600 -0.029 0.000 0.992 119 E CA 1.431 57.823 56.400 -0.014 0.000 0.804 119 E CB -0.403 29.306 29.700 0.015 0.000 0.741 119 E HN 0.671 nan 8.360 nan 0.000 0.458 120 G N 1.870 110.640 108.800 -0.050 0.000 2.403 120 G HA2 -0.263 3.697 3.960 0.000 0.000 0.216 120 G HA3 -0.263 3.697 3.960 0.000 0.000 0.216 120 G C 1.314 176.193 174.900 -0.035 0.000 1.154 120 G CA 0.775 45.850 45.100 -0.041 0.000 0.784 120 G HN 0.382 nan 8.290 nan 0.000 0.538 121 N N 0.271 118.937 118.700 -0.056 0.000 2.331 121 N HA -0.077 4.663 4.740 0.000 0.000 0.180 121 N C 2.119 177.616 175.510 -0.023 0.000 1.019 121 N CA 0.300 53.332 53.050 -0.031 0.000 0.881 121 N CB -0.359 38.109 38.487 -0.031 0.000 0.972 121 N HN 0.210 nan 8.380 nan 0.000 0.435 122 R N 0.270 120.751 120.500 -0.032 0.000 2.127 122 R HA 0.042 4.382 4.340 0.000 0.000 0.238 122 R C 1.744 178.041 176.300 -0.005 0.000 1.134 122 R CA 1.063 57.155 56.100 -0.015 0.000 0.975 122 R CB -0.076 30.218 30.300 -0.010 0.000 0.865 122 R HN 0.339 nan 8.270 nan 0.000 0.447 123 L N -0.458 120.762 121.223 -0.005 0.000 2.616 123 L HA 0.131 4.471 4.340 0.000 0.000 0.229 123 L C 0.746 177.616 176.870 0.001 0.000 1.110 123 L CA -0.258 54.582 54.840 -0.000 0.000 0.884 123 L CB 0.614 42.673 42.059 0.001 0.000 1.115 123 L HN -0.059 nan 8.230 nan 0.000 0.481 124 S N 0.051 115.751 115.700 0.000 0.000 2.528 124 S HA 0.240 4.710 4.470 0.000 0.000 0.277 124 S C 1.448 176.054 174.600 0.009 0.000 1.297 124 S CA -0.013 58.190 58.200 0.005 0.000 1.052 124 S CB 1.544 64.749 63.200 0.008 0.000 0.917 124 S HN 0.333 nan 8.310 nan 0.000 0.492 125 G N 2.817 111.623 108.800 0.010 0.000 2.450 125 G HA2 -0.180 3.780 3.960 0.000 0.000 0.220 125 G HA3 -0.180 3.780 3.960 0.000 0.000 0.220 125 G C 1.433 176.342 174.900 0.015 0.000 1.130 125 G CA 0.985 46.092 45.100 0.011 0.000 0.760 125 G HN 0.958 nan 8.290 nan 0.000 0.557 126 S N -0.909 114.803 115.700 0.020 0.000 2.575 126 S HA 0.385 4.855 4.470 0.000 0.000 0.215 126 S C 1.910 176.527 174.600 0.028 0.000 0.966 126 S CA 0.903 59.119 58.200 0.027 0.000 0.911 126 S CB 0.105 63.327 63.200 0.035 0.000 0.780 126 S HN 1.495 nan 8.310 nan 0.000 0.514 127 G N 1.156 109.969 108.800 0.022 0.000 2.212 127 G HA2 -0.218 3.742 3.960 0.000 0.000 0.266 127 G HA3 -0.218 3.742 3.960 0.000 0.000 0.266 127 G C 0.019 174.935 174.900 0.026 0.000 0.978 127 G CA 0.436 45.548 45.100 0.020 0.000 0.632 127 G HN 0.526 nan 8.290 nan 0.000 0.537 128 I N 1.676 122.266 120.570 0.034 0.000 2.392 128 I HA 0.646 4.816 4.170 0.000 0.000 0.295 128 I C 0.696 176.838 176.117 0.041 0.000 0.985 128 I CA -0.409 60.916 61.300 0.043 0.000 1.221 128 I CB 1.279 39.323 38.000 0.074 0.000 1.366 128 I HN 0.479 nan 8.210 nan 0.000 0.467 129 S N 6.416 122.144 115.700 0.047 0.000 2.618 129 S HA 0.790 5.260 4.470 0.000 0.000 0.277 129 S C -0.885 173.747 174.600 0.053 0.000 1.138 129 S CA -0.834 57.386 58.200 0.034 0.000 0.844 129 S CB 2.363 65.568 63.200 0.009 0.000 1.127 129 S HN 0.372 nan 8.310 nan 0.000 0.474 130 I N 1.389 121.977 120.570 0.030 0.000 2.410 130 I HA 0.529 4.699 4.170 0.000 0.000 0.286 130 I C 0.443 176.557 176.117 -0.005 0.000 1.009 130 I CA -0.759 60.563 61.300 0.036 0.000 1.111 130 I CB 1.771 39.787 38.000 0.028 0.000 1.262 130 I HN 0.913 nan 8.210 nan 0.000 0.443 131 G N 7.479 116.291 108.800 0.021 0.000 2.332 131 G HA2 0.759 4.719 3.960 0.000 0.000 0.310 131 G HA3 0.759 4.719 3.960 0.000 0.000 0.310 131 G C -0.637 174.261 174.900 -0.003 0.000 1.123 131 G CA -0.363 44.732 45.100 -0.008 0.000 0.873 131 G HN 0.528 nan 8.290 nan 0.000 0.460 132 I N 1.641 122.165 120.570 -0.077 0.000 2.512 132 I HA 0.241 4.411 4.170 0.000 0.000 0.287 132 I C -0.187 175.907 176.117 -0.038 0.000 1.069 132 I CA -0.665 60.598 61.300 -0.063 0.000 1.056 132 I CB 2.199 40.077 38.000 -0.204 0.000 1.229 132 I HN 0.406 nan 8.210 nan 0.000 0.429 133 Q N 2.695 122.546 119.800 0.085 0.000 2.256 133 Q HA 0.353 4.693 4.340 0.000 0.000 0.232 133 Q C 0.892 177.023 176.000 0.219 0.000 0.965 133 Q CA -0.570 55.320 55.803 0.145 0.000 0.908 133 Q CB 1.671 30.511 28.738 0.171 0.000 1.209 133 Q HN 0.621 nan 8.270 nan 0.000 0.489 134 S N 0.771 116.610 115.700 0.232 0.000 2.370 134 S HA -0.191 4.279 4.470 0.000 0.000 0.226 134 S C 1.523 176.280 174.600 0.263 0.000 1.033 134 S CA 1.796 60.119 58.200 0.204 0.000 1.011 134 S CB -0.133 63.214 63.200 0.246 0.000 0.852 134 S HN 0.561 nan 8.310 nan 0.000 0.457 135 K N 0.463 120.993 120.400 0.216 0.000 2.362 135 K HA 0.144 4.464 4.320 0.000 0.000 0.200 135 K C 1.327 178.030 176.600 0.172 0.000 1.046 135 K CA 1.096 57.490 56.287 0.179 0.000 0.952 135 K CB -0.163 32.429 32.500 0.154 0.000 0.753 135 K HN 0.406 nan 8.250 nan 0.000 0.466 136 G N 0.311 109.230 108.800 0.200 0.000 2.296 136 G HA2 -0.199 3.761 3.960 0.000 0.000 0.188 136 G HA3 -0.199 3.761 3.960 0.000 0.000 0.188 136 G C 0.076 175.125 174.900 0.249 0.000 1.000 136 G CA -0.094 45.157 45.100 0.252 0.000 0.672 136 G HN 0.291 nan 8.290 nan 0.000 0.483 137 T N 2.444 117.103 114.554 0.174 0.000 2.908 137 T HA 0.481 4.831 4.350 0.000 0.000 0.301 137 T C 0.193 174.998 174.700 0.174 0.000 1.019 137 T CA 1.284 63.475 62.100 0.151 0.000 1.152 137 T CB 1.272 70.202 68.868 0.103 0.000 0.966 137 T HN 0.314 nan 8.240 nan 0.000 0.540 138 T N 2.372 117.056 114.554 0.216 0.000 2.906 138 T HA 0.649 4.999 4.350 0.000 0.000 0.295 138 T C -1.075 173.817 174.700 0.319 0.000 1.061 138 T CA -0.598 61.641 62.100 0.232 0.000 1.000 138 T CB 2.069 71.051 68.868 0.189 0.000 1.103 138 T HN 0.477 nan 8.240 nan 0.000 0.486 139 V N 2.949 123.006 119.914 0.238 0.000 2.888 139 V HA 0.627 4.747 4.120 0.000 0.000 0.309 139 V C -1.564 174.638 176.094 0.180 0.000 1.114 139 V CA -0.950 61.473 62.300 0.204 0.000 0.940 139 V CB 1.750 33.641 31.823 0.112 0.000 1.021 139 V HN 0.849 nan 8.190 nan 0.000 0.426 140 I N 6.727 127.392 120.570 0.158 0.000 2.312 140 I HA 0.505 4.675 4.170 0.000 0.000 0.290 140 I C -0.243 175.861 176.117 -0.022 0.000 1.008 140 I CA -0.393 60.965 61.300 0.098 0.000 1.226 140 I CB 0.941 39.025 38.000 0.140 0.000 1.371 140 I HN 0.633 nan 8.210 nan 0.000 0.468 141 H N 6.046 125.080 119.070 -0.061 0.000 2.737 141 H HA 0.542 5.098 4.556 0.000 0.000 0.358 141 H C -1.408 173.857 175.328 -0.104 0.000 1.187 141 H CA -0.565 55.426 56.048 -0.096 0.000 1.221 141 H CB 2.495 32.208 29.762 -0.082 0.000 1.799 141 H HN 0.586 nan 8.280 nan 0.000 0.568 142 Q N 1.996 121.944 119.800 0.247 0.000 2.268 142 Q HA 0.145 4.485 4.340 0.000 0.000 0.266 142 Q C -1.301 174.786 176.000 0.145 0.000 1.006 142 Q CA -0.685 55.175 55.803 0.095 0.000 0.824 142 Q CB 1.934 30.632 28.738 -0.066 0.000 1.306 142 Q HN 0.683 nan 8.270 nan 0.000 0.424 143 Q N 1.733 121.573 119.800 0.067 0.000 2.436 143 Q HA 0.078 4.418 4.340 0.000 0.000 0.326 143 Q C 0.604 176.622 176.000 0.030 0.000 1.079 143 Q CA 2.209 58.032 55.803 0.033 0.000 1.049 143 Q CB -0.037 28.710 28.738 0.015 0.000 1.047 143 Q HN 0.982 nan 8.270 nan 0.000 0.386 144 G N 2.848 111.666 108.800 0.030 0.000 2.391 144 G HA2 -0.216 3.744 3.960 0.000 0.000 0.204 144 G HA3 -0.216 3.744 3.960 0.000 0.000 0.204 144 G C -0.049 174.865 174.900 0.023 0.000 1.012 144 G CA -0.247 44.864 45.100 0.019 0.000 0.651 144 G HN 0.531 nan 8.290 nan 0.000 0.494 145 L N 3.409 124.662 121.223 0.051 0.000 2.418 145 L HA 0.409 4.749 4.340 0.000 0.000 0.265 145 L C -1.221 175.707 176.870 0.096 0.000 1.143 145 L CA -1.826 53.038 54.840 0.041 0.000 0.809 145 L CB 0.621 42.654 42.059 -0.043 0.000 1.124 145 L HN 0.096 nan 8.230 nan 0.000 0.456 146 P HA 0.083 nan 4.420 nan 0.000 0.270 146 P C -2.333 174.998 177.300 0.051 0.000 1.223 146 P CA -1.252 61.863 63.100 0.024 0.000 0.785 146 P CB 0.038 31.737 31.700 -0.002 0.000 0.923 147 P HA -0.081 nan 4.420 nan 0.000 0.216 147 P C 1.028 178.266 177.300 -0.103 0.000 1.153 147 P CA 1.585 64.528 63.100 -0.261 0.000 0.858 147 P CB -0.028 31.253 31.700 -0.698 0.000 0.789 148 L N -2.031 119.138 121.223 -0.091 0.000 2.791 148 L HA 0.185 4.525 4.340 0.000 0.000 0.239 148 L C 0.471 177.297 176.870 -0.073 0.000 1.203 148 L CA -0.061 54.736 54.840 -0.073 0.000 1.002 148 L CB -0.101 41.932 42.059 -0.044 0.000 1.295 148 L HN -0.139 nan 8.230 nan 0.000 0.504 149 S N 0.681 116.324 115.700 -0.095 0.000 2.621 149 S HA 0.613 5.083 4.470 0.000 0.000 0.302 149 S C -0.410 173.960 174.600 -0.383 0.000 1.093 149 S CA -0.694 57.401 58.200 -0.176 0.000 1.017 149 S CB 1.706 64.820 63.200 -0.144 0.000 1.077 149 S HN 0.436 nan 8.310 nan 0.000 0.517 150 N N 0.248 118.715 118.700 -0.389 0.000 3.106 150 N HA 0.320 5.060 4.740 0.000 0.000 0.253 150 N C -0.032 175.250 175.510 -0.379 0.000 1.506 150 N CA -0.764 51.960 53.050 -0.544 0.000 0.876 150 N CB 0.716 38.975 38.487 -0.379 0.000 1.452 150 N HN 0.342 nan 8.380 nan 0.000 0.542 151 L N -0.442 120.553 121.223 -0.380 0.000 2.102 151 L HA 0.171 4.511 4.340 0.000 0.000 0.202 151 L C 0.218 176.952 176.870 -0.226 0.000 1.076 151 L CA 1.222 55.837 54.840 -0.375 0.000 0.761 151 L CB -0.146 41.490 42.059 -0.705 0.000 0.921 151 L HN 0.559 nan 8.230 nan 0.000 0.444 152 E N -0.316 119.782 120.200 -0.169 0.000 2.343 152 E HA 0.505 4.855 4.350 0.000 0.000 0.278 152 E C -1.640 174.782 176.600 -0.297 0.000 0.910 152 E CA -0.626 55.660 56.400 -0.190 0.000 0.757 152 E CB 3.152 32.831 29.700 -0.035 0.000 1.218 152 E HN -0.154 nan 8.360 nan 0.000 0.435 153 L N 1.762 122.651 121.223 -0.556 0.000 2.370 153 L HA 0.584 4.924 4.340 0.000 0.000 0.266 153 L C -1.806 174.525 176.870 -0.898 0.000 1.002 153 L CA -0.386 54.175 54.840 -0.465 0.000 0.818 153 L CB 1.207 43.124 42.059 -0.237 0.000 1.325 153 L HN 0.532 nan 8.230 nan 0.000 0.418 154 F N 5.374 125.309 119.950 -0.025 0.000 2.449 154 F HA 0.443 4.971 4.527 0.000 0.000 0.344 154 F C -1.705 174.080 175.800 -0.026 0.000 1.180 154 F CA -1.018 56.959 58.000 -0.037 0.000 1.209 154 F CB 0.895 39.860 39.000 -0.058 0.000 1.440 154 F HN 0.419 nan 8.300 nan 0.000 0.526 155 P HA 0.012 nan 4.420 nan 0.000 0.257 155 P C -0.390 176.928 177.300 0.030 0.000 1.281 155 P CA 0.449 63.560 63.100 0.018 0.000 0.826 155 P CB 0.463 32.146 31.700 -0.028 0.000 1.237 156 Q N -0.276 119.550 119.800 0.043 0.000 2.907 156 Q HA 0.470 4.810 4.340 0.000 0.000 0.262 156 Q C 0.977 176.986 176.000 0.016 0.000 0.997 156 Q CA -0.424 55.397 55.803 0.030 0.000 0.797 156 Q CB 1.295 30.050 28.738 0.028 0.000 1.228 156 Q HN -0.046 nan 8.270 nan 0.000 0.466 157 A N 2.384 125.213 122.820 0.016 0.000 1.948 157 A HA -0.129 4.191 4.320 0.000 0.000 0.220 157 A C -0.643 176.896 177.584 -0.074 0.000 1.177 157 A CA 1.442 53.482 52.037 0.005 0.000 0.636 157 A CB -0.988 18.038 19.000 0.043 0.000 0.815 157 A HN 0.456 nan 8.150 nan 0.000 0.449 158 P HA -0.109 nan 4.420 nan 0.000 0.221 158 P C 1.044 178.256 177.300 -0.147 0.000 1.145 158 P CA 0.791 63.697 63.100 -0.324 0.000 0.795 158 P CB -0.091 31.204 31.700 -0.676 0.000 0.775 159 L N -2.639 118.539 121.223 -0.077 0.000 2.558 159 L HA 0.043 4.383 4.340 0.000 0.000 0.225 159 L C 0.569 177.402 176.870 -0.062 0.000 1.128 159 L CA -0.168 54.649 54.840 -0.039 0.000 0.868 159 L CB -0.368 41.687 42.059 -0.006 0.000 1.006 159 L HN 0.003 nan 8.230 nan 0.000 0.454 160 L N 0.741 121.901 121.223 -0.105 0.000 2.397 160 L HA 0.190 4.530 4.340 0.000 0.000 0.271 160 L C 0.767 177.547 176.870 -0.150 0.000 1.148 160 L CA 0.478 55.180 54.840 -0.230 0.000 0.825 160 L CB 1.070 42.857 42.059 -0.453 0.000 1.117 160 L HN 0.110 nan 8.230 nan 0.000 0.456 161 T N -0.500 113.958 114.554 -0.160 0.000 2.927 161 T HA 0.503 4.853 4.350 0.000 0.000 0.286 161 T C 1.330 176.061 174.700 0.052 0.000 1.040 161 T CA -0.849 61.234 62.100 -0.028 0.000 1.010 161 T CB 0.737 69.593 68.868 -0.020 0.000 1.177 161 T HN 0.366 nan 8.240 nan 0.000 0.546 162 L N 0.214 121.511 121.223 0.123 0.000 2.131 162 L HA -0.097 4.243 4.340 0.000 0.000 0.210 162 L C 2.618 179.545 176.870 0.094 0.000 1.092 162 L CA 1.476 56.419 54.840 0.172 0.000 0.759 162 L CB -0.664 41.451 42.059 0.093 0.000 0.903 162 L HN 0.744 nan 8.230 nan 0.000 0.435 163 E N -0.592 119.625 120.200 0.028 0.000 2.153 163 E HA -0.157 4.193 4.350 0.000 0.000 0.194 163 E C 2.054 178.631 176.600 -0.040 0.000 0.988 163 E CA 1.655 58.054 56.400 -0.001 0.000 0.811 163 E CB -0.462 29.232 29.700 -0.009 0.000 0.746 163 E HN 0.392 nan 8.360 nan 0.000 0.466 164 T N 0.035 114.524 114.554 -0.107 0.000 2.737 164 T HA -0.147 4.203 4.350 0.000 0.000 0.265 164 T C 1.532 176.073 174.700 -0.265 0.000 1.038 164 T CA 1.198 63.163 62.100 -0.226 0.000 1.144 164 T CB -0.551 68.097 68.868 -0.367 0.000 0.866 164 T HN 0.229 nan 8.240 nan 0.000 0.434 165 Y N 1.217 121.431 120.300 -0.143 0.000 2.207 165 Y HA -0.124 4.426 4.550 0.000 0.000 0.287 165 Y C 2.865 178.697 175.900 -0.113 0.000 1.156 165 Y CA 1.145 59.155 58.100 -0.150 0.000 1.182 165 Y CB -0.122 38.288 38.460 -0.085 0.000 0.979 165 Y HN 0.040 nan 8.280 nan 0.000 0.521 166 R N 0.010 120.552 120.500 0.070 0.000 2.073 166 R HA -0.164 4.176 4.340 0.000 0.000 0.229 166 R C 2.153 178.450 176.300 -0.004 0.000 1.120 166 R CA 1.137 57.255 56.100 0.031 0.000 0.967 166 R CB -0.088 30.226 30.300 0.023 0.000 0.862 166 R HN 0.207 nan 8.270 nan 0.000 0.436 167 Q N 0.735 120.517 119.800 -0.031 0.000 2.135 167 Q HA -0.148 4.192 4.340 0.000 0.000 0.204 167 Q C 2.111 178.088 176.000 -0.039 0.000 0.981 167 Q CA 1.477 57.259 55.803 -0.036 0.000 0.856 167 Q CB -0.155 28.558 28.738 -0.042 0.000 0.902 167 Q HN 0.474 nan 8.270 nan 0.000 0.425 168 I N -0.373 120.138 120.570 -0.099 0.000 2.226 168 I HA -0.218 3.952 4.170 0.000 0.000 0.245 168 I C 2.246 178.366 176.117 0.004 0.000 1.100 168 I CA 1.198 62.440 61.300 -0.097 0.000 1.374 168 I CB -0.576 37.241 38.000 -0.304 0.000 1.057 168 I HN 0.218 nan 8.210 nan 0.000 0.413 169 G N 0.803 109.606 108.800 0.006 0.000 2.418 169 G HA2 -0.237 3.723 3.960 0.000 0.000 0.217 169 G HA3 -0.237 3.723 3.960 0.000 0.000 0.217 169 G C 1.720 176.632 174.900 0.019 0.000 1.158 169 G CA 0.614 45.727 45.100 0.022 0.000 0.771 169 G HN 0.305 nan 8.290 nan 0.000 0.545 170 K N 0.178 120.580 120.400 0.003 0.000 2.032 170 K HA -0.114 4.206 4.320 0.000 0.000 0.209 170 K C 2.418 179.002 176.600 -0.028 0.000 1.048 170 K CA 1.409 57.689 56.287 -0.012 0.000 0.927 170 K CB -0.181 32.307 32.500 -0.020 0.000 0.712 170 K HN 0.136 nan 8.250 nan 0.000 0.441 171 N N 0.535 119.222 118.700 -0.021 0.000 2.188 171 N HA -0.108 4.632 4.740 0.000 0.000 0.184 171 N C 1.571 177.067 175.510 -0.023 0.000 1.018 171 N CA 1.294 54.293 53.050 -0.084 0.000 0.858 171 N CB -0.271 38.219 38.487 0.005 0.000 0.989 171 N HN 0.217 nan 8.380 nan 0.000 0.426 172 A N 0.639 123.538 122.820 0.130 0.000 1.883 172 A HA -0.034 4.286 4.320 0.000 0.000 0.217 172 A C 2.300 179.969 177.584 0.142 0.000 1.186 172 A CA 1.995 54.167 52.037 0.224 0.000 0.624 172 A CB -1.084 18.004 19.000 0.147 0.000 0.822 172 A HN 0.313 nan 8.150 nan 0.000 0.444 173 A N -0.272 122.583 122.820 0.058 0.000 1.940 173 A HA -0.191 4.129 4.320 0.000 0.000 0.219 173 A C 2.248 179.838 177.584 0.009 0.000 1.176 173 A CA 1.589 53.646 52.037 0.032 0.000 0.631 173 A CB -0.473 18.532 19.000 0.010 0.000 0.814 173 A HN 0.567 nan 8.150 nan 0.000 0.446 174 R N -2.036 118.430 120.500 -0.058 0.000 2.115 174 R HA -0.096 4.244 4.340 0.000 0.000 0.226 174 R C 1.932 178.168 176.300 -0.107 0.000 1.100 174 R CA 1.415 57.444 56.100 -0.118 0.000 0.980 174 R CB -0.434 29.743 30.300 -0.205 0.000 0.875 174 R HN 0.655 nan 8.270 nan 0.000 0.445 175 Y N 0.867 121.174 120.300 0.012 0.000 2.181 175 Y HA -0.165 4.385 4.550 0.000 0.000 0.288 175 Y C 2.602 178.508 175.900 0.009 0.000 1.146 175 Y CA 1.033 59.139 58.100 0.010 0.000 1.164 175 Y CB -0.765 37.702 38.460 0.013 0.000 0.982 175 Y HN 0.083 nan 8.280 nan 0.000 0.515 176 A N 0.043 122.963 122.820 0.167 0.000 1.917 176 A HA -0.215 4.105 4.320 0.000 0.000 0.219 176 A C 1.928 179.550 177.584 0.064 0.000 1.182 176 A CA 1.902 53.997 52.037 0.097 0.000 0.633 176 A CB -0.459 18.582 19.000 0.069 0.000 0.819 176 A HN 0.130 nan 8.150 nan 0.000 0.448 177 K N -1.221 119.206 120.400 0.046 0.000 2.522 177 K HA 0.189 4.509 4.320 0.000 0.000 0.194 177 K C 0.572 177.189 176.600 0.028 0.000 1.026 177 K CA 0.156 56.459 56.287 0.026 0.000 1.119 177 K CB -0.418 32.087 32.500 0.008 0.000 0.856 177 K HN 0.526 nan 8.250 nan 0.000 0.513 178 R N 0.622 121.154 120.500 0.053 0.000 3.776 178 R HA -0.189 4.151 4.340 0.000 0.000 0.312 178 R C -0.778 175.542 176.300 0.032 0.000 1.181 178 R CA 0.827 56.959 56.100 0.055 0.000 0.836 178 R CB -1.202 29.121 30.300 0.038 0.000 1.324 178 R HN 0.400 nan 8.270 nan 0.000 0.501 179 E N -0.698 119.506 120.200 0.006 0.000 2.359 179 E HA 0.305 4.655 4.350 0.000 0.000 0.255 179 E C -0.221 176.363 176.600 -0.028 0.000 1.191 179 E CA -0.482 55.904 56.400 -0.023 0.000 0.952 179 E CB 0.718 30.385 29.700 -0.055 0.000 1.152 179 E HN 0.115 nan 8.360 nan 0.000 0.496 180 S N 2.109 117.785 115.700 -0.041 0.000 2.269 180 S HA 0.253 4.723 4.470 0.000 0.000 0.194 180 S C -2.302 172.242 174.600 -0.094 0.000 1.547 180 S CA -1.198 56.987 58.200 -0.025 0.000 1.186 180 S CB 0.227 63.442 63.200 0.026 0.000 1.069 180 S HN 0.332 nan 8.310 nan 0.000 0.473 181 P HA 0.080 nan 4.420 nan 0.000 0.269 181 P C -0.377 176.845 177.300 -0.130 0.000 1.209 181 P CA -0.367 62.590 63.100 -0.238 0.000 0.776 181 P CB 0.483 31.925 31.700 -0.431 0.000 0.876 182 Q N 3.289 123.046 119.800 -0.071 0.000 2.352 182 Q HA 0.303 4.643 4.340 0.000 0.000 0.260 182 Q C -2.112 173.885 176.000 -0.004 0.000 0.976 182 Q CA -1.933 53.856 55.803 -0.023 0.000 0.881 182 Q CB -0.633 28.097 28.738 -0.015 0.000 1.235 182 Q HN 0.370 nan 8.270 nan 0.000 0.419 183 P HA 0.007 nan 4.420 nan 0.000 0.271 183 P C -0.260 177.085 177.300 0.075 0.000 1.218 183 P CA -0.372 62.774 63.100 0.076 0.000 0.780 183 P CB 0.546 32.281 31.700 0.058 0.000 0.901 184 V N 4.454 124.454 119.914 0.143 0.000 2.681 184 V HA -0.062 4.058 4.120 0.000 0.000 0.306 184 V C -1.668 174.498 176.094 0.120 0.000 1.077 184 V CA -0.349 62.047 62.300 0.161 0.000 1.224 184 V CB -1.139 30.881 31.823 0.328 0.000 0.879 184 V HN 0.617 nan 8.190 nan 0.000 0.494 185 P HA 0.095 nan 4.420 nan 0.000 0.267 185 P C 0.033 177.363 177.300 0.050 0.000 1.200 185 P CA -0.038 63.089 63.100 0.044 0.000 0.772 185 P CB 0.158 31.875 31.700 0.029 0.000 0.855 186 T N 3.386 117.948 114.554 0.014 0.000 2.871 186 T HA 0.098 4.448 4.350 0.000 0.000 0.296 186 T C 0.253 174.962 174.700 0.015 0.000 0.998 186 T CA 0.424 62.521 62.100 -0.005 0.000 1.162 186 T CB -0.440 68.415 68.868 -0.022 0.000 0.947 186 T HN 0.168 nan 8.240 nan 0.000 0.536 187 L N 4.389 125.627 121.223 0.025 0.000 2.296 187 L HA 0.573 4.913 4.340 0.000 0.000 0.286 187 L C 0.186 177.065 176.870 0.014 0.000 1.023 187 L CA -0.708 54.148 54.840 0.026 0.000 0.812 187 L CB 1.412 43.495 42.059 0.041 0.000 1.223 187 L HN 0.593 nan 8.230 nan 0.000 0.421 188 N N 1.359 120.066 118.700 0.012 0.000 2.264 188 N HA 0.508 5.248 4.740 0.000 0.000 0.288 188 N C -2.051 173.471 175.510 0.019 0.000 1.094 188 N CA -0.544 52.513 53.050 0.011 0.000 0.817 188 N CB 2.176 40.664 38.487 0.001 0.000 1.604 188 N HN 0.489 nan 8.380 nan 0.000 0.473 189 D N 1.272 121.688 120.400 0.027 0.000 2.891 189 D HA 0.090 4.730 4.640 0.000 0.000 0.224 189 D C 0.231 176.553 176.300 0.037 0.000 1.321 189 D CA -0.289 53.731 54.000 0.034 0.000 0.929 189 D CB 1.586 42.414 40.800 0.047 0.000 1.551 189 D HN 0.735 nan 8.370 nan 0.000 0.574 190 Q N 2.587 122.404 119.800 0.028 0.000 2.368 190 Q HA -0.105 4.235 4.340 0.000 0.000 0.210 190 Q C 0.725 176.744 176.000 0.031 0.000 0.982 190 Q CA 1.019 56.837 55.803 0.025 0.000 0.884 190 Q CB 0.075 28.823 28.738 0.017 0.000 0.933 190 Q HN 0.355 nan 8.270 nan 0.000 0.460 191 M N -0.237 119.386 119.600 0.039 0.000 2.371 191 M HA 0.276 4.756 4.480 0.000 0.000 0.246 191 M C 1.642 177.983 176.300 0.068 0.000 1.103 191 M CA 0.409 55.732 55.300 0.038 0.000 1.010 191 M CB 0.018 32.634 32.600 0.026 0.000 1.457 191 M HN 0.396 nan 8.290 nan 0.000 0.486 192 A N 1.100 123.981 122.820 0.102 0.000 1.877 192 A HA -0.196 4.124 4.320 0.000 0.000 0.216 192 A C 2.330 180.023 177.584 0.182 0.000 1.186 192 A CA 1.969 54.116 52.037 0.183 0.000 0.620 192 A CB -0.574 18.506 19.000 0.133 0.000 0.822 192 A HN 0.511 nan 8.150 nan 0.000 0.443 193 R N -0.139 120.424 120.500 0.104 0.000 2.062 193 R HA -0.086 4.254 4.340 0.000 0.000 0.231 193 R C -0.832 175.501 176.300 0.055 0.000 1.136 193 R CA 1.707 57.858 56.100 0.084 0.000 0.948 193 R CB -1.397 28.935 30.300 0.054 0.000 0.845 193 R HN 0.328 nan 8.270 nan 0.000 0.430 194 P HA -0.202 nan 4.420 nan 0.000 0.216 194 P C 0.610 177.876 177.300 -0.056 0.000 1.154 194 P CA 1.803 64.898 63.100 -0.008 0.000 0.865 194 P CB -0.022 31.672 31.700 -0.010 0.000 0.789 195 K N -2.653 117.689 120.400 -0.096 0.000 2.137 195 K HA -0.033 4.287 4.320 0.000 0.000 0.202 195 K C 1.282 177.607 176.600 -0.458 0.000 1.052 195 K CA 1.152 57.236 56.287 -0.338 0.000 0.961 195 K CB -0.001 32.207 32.500 -0.487 0.000 0.741 195 K HN 0.192 nan 8.250 nan 0.000 0.452 196 Y N -1.124 119.192 120.300 0.026 0.000 2.499 196 Y HA 0.131 4.681 4.550 0.000 0.000 0.253 196 Y C 1.850 177.771 175.900 0.035 0.000 1.105 196 Y CA -0.411 57.709 58.100 0.032 0.000 1.240 196 Y CB 0.591 39.074 38.460 0.037 0.000 1.289 196 Y HN 0.036 nan 8.280 nan 0.000 0.534 197 Q N 1.192 121.082 119.800 0.151 0.000 2.124 197 Q HA -0.175 4.165 4.340 0.000 0.000 0.202 197 Q C 2.259 178.315 176.000 0.093 0.000 0.977 197 Q CA 1.637 57.506 55.803 0.111 0.000 0.850 197 Q CB -0.013 28.769 28.738 0.074 0.000 0.901 197 Q HN 0.477 nan 8.270 nan 0.000 0.429 198 A N 1.233 124.096 122.820 0.072 0.000 1.877 198 A HA -0.225 4.095 4.320 0.000 0.000 0.216 198 A C 2.037 179.672 177.584 0.084 0.000 1.186 198 A CA 1.729 53.804 52.037 0.063 0.000 0.620 198 A CB -0.568 18.455 19.000 0.038 0.000 0.822 198 A HN 0.401 nan 8.150 nan 0.000 0.443 199 K N -0.245 120.218 120.400 0.106 0.000 2.057 199 K HA -0.143 4.177 4.320 0.000 0.000 0.207 199 K C 2.366 179.049 176.600 0.138 0.000 1.049 199 K CA 1.560 57.923 56.287 0.128 0.000 0.931 199 K CB -0.228 32.379 32.500 0.179 0.000 0.714 199 K HN 0.456 nan 8.250 nan 0.000 0.440 200 S N 0.148 115.938 115.700 0.151 0.000 2.359 200 S HA -0.179 4.291 4.470 0.000 0.000 0.224 200 S C 2.035 176.719 174.600 0.138 0.000 1.035 200 S CA 1.408 59.689 58.200 0.135 0.000 1.018 200 S CB -0.399 62.871 63.200 0.117 0.000 0.876 200 S HN 0.450 nan 8.310 nan 0.000 0.448 201 A N 1.360 124.252 122.820 0.120 0.000 1.908 201 A HA -0.021 4.299 4.320 0.000 0.000 0.218 201 A C 2.197 179.865 177.584 0.140 0.000 1.181 201 A CA 1.680 53.796 52.037 0.131 0.000 0.627 201 A CB -0.830 18.226 19.000 0.095 0.000 0.818 201 A HN 0.659 nan 8.150 nan 0.000 0.445 202 I N -0.438 120.199 120.570 0.112 0.000 2.202 202 I HA -0.241 3.929 4.170 0.000 0.000 0.242 202 I C 2.330 178.510 176.117 0.105 0.000 1.091 202 I CA 1.077 62.433 61.300 0.094 0.000 1.368 202 I CB -0.332 37.714 38.000 0.077 0.000 1.058 202 I HN 0.291 nan 8.210 nan 0.000 0.410 203 L N -0.263 121.035 121.223 0.125 0.000 2.083 203 L HA -0.270 4.071 4.340 0.000 0.000 0.209 203 L C 2.713 179.679 176.870 0.161 0.000 1.083 203 L CA 1.398 56.319 54.840 0.134 0.000 0.752 203 L CB -0.938 41.205 42.059 0.140 0.000 0.899 203 L HN 0.417 nan 8.230 nan 0.000 0.433 204 H N 0.385 119.508 119.070 0.089 0.000 2.395 204 H HA -0.101 4.455 4.556 0.000 0.000 0.299 204 H C 2.392 177.769 175.328 0.081 0.000 1.070 204 H CA 1.407 57.508 56.048 0.089 0.000 1.356 204 H CB 0.299 30.108 29.762 0.080 0.000 1.401 204 H HN 0.278 nan 8.280 nan 0.000 0.524 205 I N 0.957 121.549 120.570 0.037 0.000 2.163 205 I HA -0.293 3.877 4.170 0.000 0.000 0.243 205 I C 2.498 178.587 176.117 -0.047 0.000 1.085 205 I CA 1.379 62.662 61.300 -0.028 0.000 1.347 205 I CB -0.087 37.931 38.000 0.030 0.000 1.044 205 I HN 0.225 nan 8.210 nan 0.000 0.408 206 K N 0.274 120.684 120.400 0.016 0.000 2.057 206 K HA -0.241 4.079 4.320 0.000 0.000 0.206 206 K C 2.048 178.722 176.600 0.123 0.000 1.050 206 K CA 1.588 57.910 56.287 0.059 0.000 0.935 206 K CB -0.229 32.331 32.500 0.099 0.000 0.715 206 K HN 0.292 nan 8.250 nan 0.000 0.439 207 E N 0.641 120.907 120.200 0.109 0.000 2.110 207 E HA -0.146 4.204 4.350 0.000 0.000 0.193 207 E C 1.459 178.132 176.600 0.121 0.000 0.988 207 E CA 1.375 57.884 56.400 0.181 0.000 0.804 207 E CB 0.106 29.871 29.700 0.108 0.000 0.745 207 E HN 0.120 nan 8.360 nan 0.000 0.458 208 T N 0.867 115.354 114.554 -0.113 0.000 3.007 208 T HA -0.062 4.288 4.350 0.000 0.000 0.270 208 T C 1.334 175.978 174.700 -0.092 0.000 1.107 208 T CA 0.650 62.657 62.100 -0.155 0.000 1.118 208 T CB -0.002 68.686 68.868 -0.299 0.000 0.889 208 T HN 0.057 nan 8.240 nan 0.000 0.506 209 K N 0.796 121.107 120.400 -0.150 0.000 2.362 209 K HA 0.005 4.325 4.320 0.000 0.000 0.200 209 K C 0.761 177.119 176.600 -0.403 0.000 1.046 209 K CA 0.901 56.998 56.287 -0.316 0.000 0.952 209 K CB -0.317 31.890 32.500 -0.489 0.000 0.753 209 K HN 0.540 nan 8.250 nan 0.000 0.466 210 Y N -0.061 120.251 120.300 0.019 0.000 2.524 210 Y HA 0.114 4.664 4.550 0.000 0.000 0.266 210 Y C 0.572 176.539 175.900 0.112 0.000 1.180 210 Y CA -0.619 57.521 58.100 0.067 0.000 1.244 210 Y CB 0.269 38.772 38.460 0.071 0.000 1.125 210 Y HN -0.348 nan 8.280 nan 0.000 0.524 211 V N 1.395 121.399 119.914 0.150 0.000 2.740 211 V HA 0.090 4.210 4.120 0.000 0.000 0.303 211 V C 0.107 176.281 176.094 0.134 0.000 1.054 211 V CA -0.261 62.124 62.300 0.142 0.000 1.106 211 V CB 1.127 32.987 31.823 0.061 0.000 0.957 211 V HN -0.084 nan 8.190 nan 0.000 0.486 212 V N 3.944 123.963 119.914 0.175 0.000 2.419 212 V HA 0.215 4.335 4.120 0.000 0.000 0.287 212 V C 0.181 176.316 176.094 0.069 0.000 1.017 212 V CA -0.624 61.730 62.300 0.091 0.000 0.844 212 V CB 1.715 33.560 31.823 0.037 0.000 1.011 212 V HN 0.952 nan 8.190 nan 0.000 0.429 213 T N 3.733 118.304 114.554 0.029 0.000 2.905 213 T HA 0.330 4.680 4.350 0.000 0.000 0.299 213 T C 1.370 176.073 174.700 0.006 0.000 1.024 213 T CA 1.552 63.660 62.100 0.012 0.000 1.151 213 T CB 0.504 69.368 68.868 -0.007 0.000 0.987 213 T HN 1.518 nan 8.240 nan 0.000 0.535 214 G N 2.913 111.721 108.800 0.012 0.000 2.189 214 G HA2 -0.306 3.654 3.960 0.000 0.000 0.267 214 G HA3 -0.306 3.654 3.960 0.000 0.000 0.267 214 G C 0.155 175.055 174.900 -0.001 0.000 0.975 214 G CA 0.683 45.786 45.100 0.005 0.000 0.644 214 G HN 0.837 nan 8.290 nan 0.000 0.537 215 K N 1.102 121.503 120.400 0.000 0.000 2.285 215 K HA 0.344 4.664 4.320 0.000 0.000 0.286 215 K C 0.293 176.920 176.600 0.044 0.000 1.072 215 K CA -0.731 55.522 56.287 -0.056 0.000 0.913 215 K CB 0.175 32.544 32.500 -0.217 0.000 1.067 215 K HN 0.155 nan 8.250 nan 0.000 0.479 216 N N 4.638 123.355 118.700 0.028 0.000 2.482 216 N HA 0.165 4.905 4.740 0.000 0.000 0.260 216 N C -2.486 173.136 175.510 0.186 0.000 1.236 216 N CA -1.463 51.640 53.050 0.088 0.000 0.938 216 N CB 0.503 39.015 38.487 0.042 0.000 1.128 216 N HN 0.471 nan 8.380 nan 0.000 0.448 217 P HA 0.033 nan 4.420 nan 0.000 0.268 217 P C -0.375 177.049 177.300 0.206 0.000 1.208 217 P CA 0.105 63.345 63.100 0.235 0.000 0.777 217 P CB 0.557 32.311 31.700 0.089 0.000 0.875 218 Q N 1.645 121.609 119.800 0.273 0.000 2.290 218 Q HA 0.198 4.538 4.340 0.000 0.000 0.259 218 Q C -0.121 175.924 176.000 0.074 0.000 0.941 218 Q CA -0.423 55.486 55.803 0.178 0.000 0.912 218 Q CB 1.446 30.339 28.738 0.259 0.000 1.244 218 Q HN 0.470 nan 8.270 nan 0.000 0.441 219 E N 2.573 122.799 120.200 0.044 0.000 2.392 219 E HA 0.166 4.516 4.350 0.000 0.000 0.264 219 E C -0.849 175.755 176.600 0.006 0.000 1.024 219 E CA -0.001 56.408 56.400 0.014 0.000 0.903 219 E CB 0.590 30.296 29.700 0.011 0.000 0.963 219 E HN 0.401 nan 8.360 nan 0.000 0.432 220 L N 4.514 125.728 121.223 -0.014 0.000 2.341 220 L HA 0.447 4.787 4.340 0.000 0.000 0.278 220 L C 0.165 177.024 176.870 -0.019 0.000 1.005 220 L CA -0.782 54.042 54.840 -0.027 0.000 0.818 220 L CB 1.723 43.745 42.059 -0.060 0.000 1.259 220 L HN 0.504 nan 8.230 nan 0.000 0.418 221 R N 2.279 122.770 120.500 -0.015 0.000 2.308 221 R HA 0.465 4.805 4.340 0.000 0.000 0.305 221 R C -1.197 175.105 176.300 0.003 0.000 1.053 221 R CA -0.480 55.619 56.100 -0.001 0.000 0.957 221 R CB 1.312 31.616 30.300 0.006 0.000 1.022 221 R HN 0.397 nan 8.270 nan 0.000 0.461 222 V N 5.133 125.068 119.914 0.036 0.000 2.333 222 V HA 0.281 4.401 4.120 0.000 0.000 0.274 222 V C 0.821 176.982 176.094 0.112 0.000 1.028 222 V CA -0.588 61.769 62.300 0.095 0.000 0.851 222 V CB 0.768 32.665 31.823 0.124 0.000 1.000 222 V HN 1.041 nan 8.190 nan 0.000 0.456 223 A N 0.000 122.907 122.820 0.145 0.000 2.254 223 A HA 0.000 4.320 4.320 0.000 0.000 0.244 223 A CA 0.000 52.110 52.037 0.122 0.000 0.836 223 A CB 0.000 19.095 19.000 0.158 0.000 0.831 223 A HN 0.000 nan 8.150 nan 0.000 0.486