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 3ale_1_D DATA FIRST_RESID 21 DATA SEQUENCE QRADGLAAVL AIGTANPPNC VTQEEIPDFY FRVTNSDHLT ALKDKFKRIC DATA SEQUENCE QEMGVQRRYL HHTEEMLSAH PEFVDRDAPS LDARLDIAAD AVPELAAEAA DATA SEQUENCE KKAIAEWGRP AADITHLVVT TNSGAHVPGV DFRLVPLLGL RPSVRRTMLH DATA SEQUENCE LNGCFAGCAA LRLAKDLAEN SRGARVLVVA AELTLMYFTG PXXXCFRTLL DATA SEQUENCE VQGLFGDGAA AVIVGADADD VERPLFEIVS AAQTIIPESD HALNMRFTER DATA SEQUENCE RLDGVLGRQV PGLIGDNVER CLLDMFGPXX XXXXXXGWND LFWAVHPGSS DATA SEQUENCE TIMDQVDAAL GLEPGKLAAS RRVLSDYGNM SGATVIFALD ELRRQRKXXX DATA SEQUENCE XXXXWPELGV MMAFGPGMTV DAMLLHATS 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 21 Q HA 0.000 nan 4.340 nan 0.000 0.214 21 Q C 0.000 176.012 176.000 0.021 0.000 1.003 21 Q CA 0.000 55.815 55.803 0.019 0.000 1.022 21 Q CB 0.000 28.750 28.738 0.020 0.000 1.108 22 R N 1.397 121.906 120.500 0.016 0.000 2.540 22 R HA 0.811 5.151 4.340 -0.000 0.000 0.287 22 R C -0.641 175.667 176.300 0.013 0.000 0.980 22 R CA 0.290 56.398 56.100 0.014 0.000 0.966 22 R CB 1.389 31.695 30.300 0.010 0.000 1.106 22 R HN 0.203 nan 8.270 nan 0.000 0.480 23 A N 2.216 125.043 122.820 0.012 0.000 2.386 23 A HA 0.120 4.440 4.320 -0.000 0.000 0.248 23 A C 0.081 177.672 177.584 0.011 0.000 1.082 23 A CA -0.342 51.703 52.037 0.013 0.000 0.789 23 A CB 0.439 19.446 19.000 0.012 0.000 1.025 23 A HN 0.962 nan 8.150 nan 0.000 0.490 24 D N 1.106 121.514 120.400 0.013 0.000 2.269 24 D HA 0.085 4.725 4.640 -0.000 0.000 0.220 24 D C 1.313 177.621 176.300 0.013 0.000 0.962 24 D CA 1.315 55.322 54.000 0.012 0.000 0.884 24 D CB -0.103 40.704 40.800 0.012 0.000 1.023 24 D HN 0.666 nan 8.370 nan 0.000 0.484 25 G N 0.502 109.312 108.800 0.016 0.000 2.588 25 G HA2 0.459 4.419 3.960 -0.000 0.000 0.281 25 G HA3 0.459 4.419 3.960 -0.000 0.000 0.281 25 G C 0.073 174.985 174.900 0.020 0.000 1.236 25 G CA -0.522 44.590 45.100 0.020 0.000 0.969 25 G HN 0.020 nan 8.290 nan 0.000 0.504 26 L N 0.079 121.318 121.223 0.027 0.000 2.439 26 L HA 0.467 4.806 4.340 -0.000 0.000 0.261 26 L C 1.161 178.045 176.870 0.023 0.000 1.153 26 L CA -0.780 54.077 54.840 0.028 0.000 0.808 26 L CB 1.056 43.142 42.059 0.045 0.000 1.126 26 L HN 0.580 nan 8.230 nan 0.000 0.460 27 A N 1.544 124.373 122.820 0.016 0.000 2.440 27 A HA 0.616 4.936 4.320 -0.000 0.000 0.251 27 A C -0.093 177.504 177.584 0.022 0.000 1.089 27 A CA 0.078 52.119 52.037 0.006 0.000 0.779 27 A CB 0.291 19.286 19.000 -0.009 0.000 1.022 27 A HN 0.782 nan 8.150 nan 0.000 0.492 28 A N 1.643 124.473 122.820 0.017 0.000 2.515 28 A HA 0.632 4.952 4.320 -0.000 0.000 0.296 28 A C -0.689 176.909 177.584 0.023 0.000 1.094 28 A CA -0.513 51.545 52.037 0.035 0.000 0.718 28 A CB 1.221 20.235 19.000 0.023 0.000 1.307 28 A HN 1.099 nan 8.150 nan 0.000 0.408 29 V N 2.943 122.898 119.914 0.068 0.000 2.387 29 V HA 0.083 4.203 4.120 -0.000 0.000 0.260 29 V C 1.032 177.144 176.094 0.030 0.000 1.054 29 V CA 0.275 62.608 62.300 0.055 0.000 0.967 29 V CB 0.054 31.972 31.823 0.159 0.000 1.036 29 V HN 0.795 nan 8.190 nan 0.000 0.481 30 L N 3.966 125.171 121.223 -0.030 0.000 2.341 30 L HA 0.396 4.736 4.340 -0.000 0.000 0.214 30 L C 0.949 177.826 176.870 0.012 0.000 1.115 30 L CA 0.922 55.763 54.840 0.001 0.000 0.820 30 L CB -0.006 42.036 42.059 -0.029 0.000 0.944 30 L HN 0.768 nan 8.230 nan 0.000 0.452 31 A N -0.288 122.503 122.820 -0.048 0.000 2.583 31 A HA 0.699 5.018 4.320 -0.000 0.000 0.292 31 A C -1.489 176.060 177.584 -0.059 0.000 1.045 31 A CA -0.480 51.542 52.037 -0.025 0.000 0.672 31 A CB 1.107 20.110 19.000 0.005 0.000 1.283 31 A HN -0.027 nan 8.150 nan 0.000 0.419 32 I N 0.223 120.764 120.570 -0.049 0.000 2.686 32 I HA 0.704 4.874 4.170 -0.000 0.000 0.295 32 I C 0.292 176.344 176.117 -0.108 0.000 1.114 32 I CA -0.653 60.593 61.300 -0.090 0.000 1.038 32 I CB 2.799 40.747 38.000 -0.088 0.000 1.238 32 I HN 0.976 nan 8.210 nan 0.000 0.420 33 G N 2.194 110.903 108.800 -0.153 0.000 2.740 33 G HA2 0.649 4.609 3.960 -0.000 0.000 0.296 33 G HA3 0.649 4.609 3.960 -0.000 0.000 0.296 33 G C -1.035 173.719 174.900 -0.244 0.000 1.439 33 G CA -0.427 44.579 45.100 -0.157 0.000 1.066 33 G HN 0.609 nan 8.290 nan 0.000 0.527 34 T N -1.263 113.106 114.554 -0.308 0.000 2.916 34 T HA 0.921 5.271 4.350 -0.000 0.000 0.292 34 T C -0.248 174.351 174.700 -0.170 0.000 1.055 34 T CA -0.304 61.544 62.100 -0.421 0.000 1.009 34 T CB 2.257 70.438 68.868 -1.144 0.000 1.118 34 T HN 1.923 nan 8.240 nan 0.000 0.497 35 A N 1.588 124.393 122.820 -0.024 0.000 2.606 35 A HA 0.874 5.194 4.320 -0.000 0.000 0.293 35 A C -1.390 176.234 177.584 0.066 0.000 1.082 35 A CA -1.139 50.904 52.037 0.010 0.000 0.685 35 A CB 1.396 20.393 19.000 -0.005 0.000 1.284 35 A HN 0.955 nan 8.150 nan 0.000 0.408 36 N N 0.049 118.734 118.700 -0.024 0.000 2.396 36 N HA 0.649 5.389 4.740 -0.000 0.000 0.275 36 N C -3.170 172.329 175.510 -0.017 0.000 1.218 36 N CA -1.181 51.842 53.050 -0.044 0.000 0.812 36 N CB 2.031 40.354 38.487 -0.272 0.000 1.592 36 N HN 0.370 nan 8.380 nan 0.000 0.480 37 P HA 0.080 nan 4.420 nan 0.000 0.268 37 P C -1.685 175.714 177.300 0.165 0.000 1.208 37 P CA -0.850 62.348 63.100 0.163 0.000 0.777 37 P CB 0.438 32.279 31.700 0.234 0.000 0.875 38 P HA -0.160 nan 4.420 nan 0.000 0.219 38 P C 0.161 177.578 177.300 0.195 0.000 1.150 38 P CA 1.098 64.281 63.100 0.139 0.000 0.814 38 P CB -0.065 31.685 31.700 0.082 0.000 0.787 39 N N 0.130 118.908 118.700 0.131 0.000 2.412 39 N HA 0.041 4.781 4.740 -0.000 0.000 0.279 39 N C -0.478 175.033 175.510 0.002 0.000 1.287 39 N CA -0.449 52.618 53.050 0.029 0.000 0.948 39 N CB 0.014 38.458 38.487 -0.072 0.000 1.255 39 N HN 0.077 nan 8.380 nan 0.000 0.485 40 C N 4.438 123.710 119.300 -0.048 0.000 2.401 40 C HA 0.552 5.011 4.460 -0.000 0.000 0.365 40 C C -0.150 174.669 174.990 -0.285 0.000 1.250 40 C CA -0.281 58.575 59.018 -0.269 0.000 2.131 40 C CB -0.200 27.435 27.740 -0.175 0.000 2.445 40 C HN 0.493 nan 8.230 nan 0.000 0.550 41 V N 6.359 126.063 119.914 -0.348 0.000 2.524 41 V HA 0.393 4.512 4.120 -0.000 0.000 0.297 41 V C 0.463 176.438 176.094 -0.200 0.000 1.035 41 V CA -0.363 61.772 62.300 -0.275 0.000 0.867 41 V CB 1.781 33.399 31.823 -0.341 0.000 1.004 41 V HN 1.020 nan 8.190 nan 0.000 0.426 42 T N 1.103 115.578 114.554 -0.132 0.000 2.828 42 T HA 0.246 4.596 4.350 -0.000 0.000 0.290 42 T C 0.826 175.496 174.700 -0.051 0.000 1.019 42 T CA -0.114 61.929 62.100 -0.096 0.000 1.031 42 T CB 1.477 70.303 68.868 -0.069 0.000 1.001 42 T HN 0.535 nan 8.240 nan 0.000 0.531 43 Q N 0.069 119.838 119.800 -0.053 0.000 2.291 43 Q HA -0.053 4.287 4.340 -0.000 0.000 0.205 43 Q C 1.977 177.956 176.000 -0.034 0.000 0.970 43 Q CA 1.576 57.352 55.803 -0.045 0.000 0.876 43 Q CB -0.243 28.458 28.738 -0.061 0.000 0.935 43 Q HN 0.885 nan 8.270 nan 0.000 0.455 44 E N -0.132 120.053 120.200 -0.024 0.000 2.072 44 E HA -0.147 4.203 4.350 -0.000 0.000 0.190 44 E C 1.309 177.924 176.600 0.026 0.000 0.982 44 E CA 1.270 57.664 56.400 -0.010 0.000 0.803 44 E CB 0.070 29.763 29.700 -0.012 0.000 0.755 44 E HN 0.492 nan 8.360 nan 0.000 0.453 45 E N 0.268 120.493 120.200 0.042 0.000 2.489 45 E HA -0.037 4.313 4.350 -0.000 0.000 0.193 45 E C 1.590 178.305 176.600 0.192 0.000 1.057 45 E CA -0.144 56.313 56.400 0.095 0.000 0.866 45 E CB 0.202 29.939 29.700 0.062 0.000 0.916 45 E HN 0.126 nan 8.360 nan 0.000 0.500 46 I N 1.894 122.574 120.570 0.183 0.000 2.315 46 I HA -0.122 4.048 4.170 -0.000 0.000 0.248 46 I C -1.105 175.347 176.117 0.559 0.000 1.117 46 I CA 0.889 62.396 61.300 0.344 0.000 1.404 46 I CB -0.446 37.696 38.000 0.236 0.000 1.071 46 I HN -0.019 nan 8.210 nan 0.000 0.419 47 P HA -0.104 nan 4.420 nan 0.000 0.215 47 P C 1.023 178.611 177.300 0.481 0.000 1.157 47 P CA 1.709 65.171 63.100 0.603 0.000 0.863 47 P CB -0.082 31.775 31.700 0.262 0.000 0.787 48 D N -1.203 119.385 120.400 0.313 0.000 2.104 48 D HA -0.198 4.441 4.640 -0.000 0.000 0.194 48 D C 1.635 178.119 176.300 0.307 0.000 0.994 48 D CA 0.950 55.103 54.000 0.255 0.000 0.830 48 D CB -1.052 39.859 40.800 0.185 0.000 0.959 48 D HN 0.095 nan 8.370 nan 0.000 0.452 49 F N 0.410 120.502 119.950 0.236 0.000 2.069 49 F HA -0.267 4.260 4.527 -0.000 0.000 0.298 49 F C 2.178 178.155 175.800 0.295 0.000 1.113 49 F CA 1.199 59.333 58.000 0.224 0.000 1.214 49 F CB -0.738 38.383 39.000 0.201 0.000 0.978 49 F HN -0.009 nan 8.300 nan 0.000 0.474 50 Y N 0.055 120.356 120.300 0.002 0.000 2.089 50 Y HA -0.244 4.306 4.550 -0.000 0.000 0.282 50 Y C 2.229 178.053 175.900 -0.127 0.000 1.139 50 Y CA 2.028 60.047 58.100 -0.135 0.000 1.123 50 Y CB -1.300 37.164 38.460 0.007 0.000 0.980 50 Y HN 0.100 nan 8.280 nan 0.000 0.493 51 F N 0.345 120.128 119.950 -0.278 0.000 2.171 51 F HA -0.157 4.370 4.527 -0.000 0.000 0.300 51 F C 2.728 178.404 175.800 -0.206 0.000 1.090 51 F CA 1.821 59.626 58.000 -0.325 0.000 1.293 51 F CB -0.522 38.411 39.000 -0.112 0.000 1.013 51 F HN 0.007 nan 8.300 nan 0.000 0.486 52 R N 0.240 120.768 120.500 0.047 0.000 2.115 52 R HA -0.067 4.273 4.340 -0.000 0.000 0.226 52 R C 2.069 178.327 176.300 -0.070 0.000 1.100 52 R CA 0.965 57.076 56.100 0.018 0.000 0.980 52 R CB -0.808 29.532 30.300 0.067 0.000 0.875 52 R HN 0.272 nan 8.270 nan 0.000 0.445 53 V N 1.285 121.088 119.914 -0.186 0.000 3.406 53 V HA -0.051 4.069 4.120 -0.000 0.000 0.263 53 V C 1.339 177.346 176.094 -0.146 0.000 1.172 53 V CA 1.793 63.980 62.300 -0.189 0.000 1.140 53 V CB 0.022 31.628 31.823 -0.361 0.000 0.784 53 V HN 0.560 nan 8.190 nan 0.000 0.467 54 T N -3.035 111.381 114.554 -0.230 0.000 3.086 54 T HA 0.139 4.489 4.350 -0.000 0.000 0.250 54 T C 0.685 175.288 174.700 -0.162 0.000 1.074 54 T CA 0.080 62.046 62.100 -0.224 0.000 0.988 54 T CB -0.337 68.208 68.868 -0.539 0.000 0.988 54 T HN 0.447 nan 8.240 nan 0.000 0.530 55 N N 1.169 119.804 118.700 -0.107 0.000 2.714 55 N HA -0.133 4.607 4.740 -0.000 0.000 0.253 55 N C -0.382 175.149 175.510 0.036 0.000 1.024 55 N CA 0.850 53.878 53.050 -0.038 0.000 0.726 55 N CB -1.449 37.011 38.487 -0.045 0.000 0.908 55 N HN 0.496 nan 8.380 nan 0.000 0.542 56 S N -0.629 115.097 115.700 0.044 0.000 3.021 56 S HA 0.056 4.526 4.470 -0.000 0.000 0.252 56 S C 0.361 175.132 174.600 0.285 0.000 0.996 56 S CA -0.516 57.755 58.200 0.118 0.000 1.084 56 S CB 0.776 63.788 63.200 -0.313 0.000 1.021 56 S HN 0.220 nan 8.310 nan 0.000 0.566 57 D N 2.423 123.025 120.400 0.337 0.000 2.400 57 D HA 0.007 4.647 4.640 -0.000 0.000 0.243 57 D C 1.249 177.716 176.300 0.279 0.000 1.184 57 D CA 0.390 54.555 54.000 0.276 0.000 0.853 57 D CB 0.015 40.914 40.800 0.164 0.000 0.944 57 D HN 0.629 nan 8.370 nan 0.000 0.501 58 H N -1.833 117.292 119.070 0.092 0.000 3.360 58 H HA 0.155 4.710 4.556 -0.000 0.000 0.262 58 H C 0.821 176.192 175.328 0.071 0.000 1.149 58 H CA -0.227 55.855 56.048 0.057 0.000 1.181 58 H CB -0.524 29.259 29.762 0.035 0.000 1.564 58 H HN 0.054 nan 8.280 nan 0.000 0.565 59 L N 3.488 124.570 121.223 -0.235 0.000 2.873 59 L HA 0.118 4.458 4.340 -0.000 0.000 0.236 59 L C 1.641 178.489 176.870 -0.038 0.000 1.375 59 L CA 0.282 55.036 54.840 -0.143 0.000 1.239 59 L CB -0.204 41.845 42.059 -0.016 0.000 1.603 59 L HN 0.212 nan 8.230 nan 0.000 0.430 60 T N -2.678 111.848 114.554 -0.046 0.000 2.751 60 T HA -0.335 4.015 4.350 -0.000 0.000 0.268 60 T C 1.970 176.627 174.700 -0.073 0.000 1.045 60 T CA 1.424 63.483 62.100 -0.069 0.000 1.142 60 T CB -0.056 68.794 68.868 -0.030 0.000 0.851 60 T HN 0.501 nan 8.240 nan 0.000 0.474 61 A N 1.678 124.477 122.820 -0.036 0.000 1.845 61 A HA 0.112 4.432 4.320 -0.000 0.000 0.215 61 A C 2.349 179.931 177.584 -0.003 0.000 1.195 61 A CA 1.685 53.712 52.037 -0.016 0.000 0.616 61 A CB -1.038 17.962 19.000 -0.001 0.000 0.832 61 A HN 0.467 nan 8.150 nan 0.000 0.443 62 L N -0.197 121.050 121.223 0.040 0.000 2.201 62 L HA -0.038 4.302 4.340 -0.000 0.000 0.212 62 L C 2.237 179.129 176.870 0.037 0.000 1.105 62 L CA 2.355 57.279 54.840 0.140 0.000 0.775 62 L CB -0.441 41.783 42.059 0.275 0.000 0.913 62 L HN 0.498 nan 8.230 nan 0.000 0.440 63 K N -1.055 119.097 120.400 -0.413 0.000 2.217 63 K HA -0.176 4.144 4.320 -0.000 0.000 0.202 63 K C 1.781 178.181 176.600 -0.335 0.000 1.051 63 K CA 1.158 56.813 56.287 -1.053 0.000 0.952 63 K CB -0.083 31.661 32.500 -1.261 0.000 0.736 63 K HN 0.294 nan 8.250 nan 0.000 0.453 64 D N 1.178 121.476 120.400 -0.169 0.000 2.144 64 D HA -0.161 4.479 4.640 -0.000 0.000 0.200 64 D C 1.723 178.012 176.300 -0.019 0.000 0.978 64 D CA 1.118 55.072 54.000 -0.077 0.000 0.833 64 D CB 0.170 40.938 40.800 -0.052 0.000 0.961 64 D HN 0.175 nan 8.370 nan 0.000 0.470 65 K N -1.147 119.272 120.400 0.032 0.000 2.155 65 K HA -0.107 4.213 4.320 -0.000 0.000 0.203 65 K C 1.994 178.686 176.600 0.154 0.000 1.052 65 K CA 0.442 56.779 56.287 0.085 0.000 0.948 65 K CB -0.254 32.316 32.500 0.116 0.000 0.728 65 K HN 0.087 nan 8.250 nan 0.000 0.448 66 F N 1.806 121.778 119.950 0.036 0.000 2.325 66 F HA -0.062 4.465 4.527 -0.000 0.000 0.299 66 F C 1.991 177.814 175.800 0.039 0.000 1.090 66 F CA 1.047 59.100 58.000 0.088 0.000 1.392 66 F CB 0.053 39.178 39.000 0.208 0.000 1.053 66 F HN -0.133 nan 8.300 nan 0.000 0.521 67 K N 0.933 121.277 120.400 -0.094 0.000 2.057 67 K HA -0.126 4.194 4.320 -0.000 0.000 0.206 67 K C 2.307 178.805 176.600 -0.170 0.000 1.050 67 K CA 1.224 57.408 56.287 -0.173 0.000 0.935 67 K CB -0.328 32.122 32.500 -0.083 0.000 0.715 67 K HN 0.262 nan 8.250 nan 0.000 0.439 68 R N 0.213 120.656 120.500 -0.094 0.000 2.070 68 R HA -0.030 4.310 4.340 -0.000 0.000 0.232 68 R C 2.523 178.775 176.300 -0.080 0.000 1.138 68 R CA 1.542 57.600 56.100 -0.069 0.000 0.936 68 R CB -0.573 29.709 30.300 -0.031 0.000 0.839 68 R HN 0.194 nan 8.270 nan 0.000 0.429 69 I N 0.616 121.158 120.570 -0.047 0.000 2.181 69 I HA -0.448 3.722 4.170 -0.000 0.000 0.247 69 I C 2.512 178.565 176.117 -0.106 0.000 1.081 69 I CA 1.345 62.646 61.300 0.003 0.000 1.340 69 I CB -0.459 37.626 38.000 0.141 0.000 1.036 69 I HN 0.323 nan 8.210 nan 0.000 0.417 70 C N 0.168 119.304 119.300 -0.275 0.000 2.446 70 C HA -0.110 4.350 4.460 -0.000 0.000 0.277 70 C C 2.642 177.541 174.990 -0.152 0.000 1.275 70 C CA 0.323 59.174 59.018 -0.279 0.000 1.727 70 C CB -0.968 26.509 27.740 -0.437 0.000 2.010 70 C HN 0.537 nan 8.230 nan 0.000 0.486 71 Q N 1.108 120.831 119.800 -0.128 0.000 2.439 71 Q HA -0.073 4.267 4.340 -0.000 0.000 0.211 71 Q C 1.130 177.095 176.000 -0.058 0.000 0.978 71 Q CA 1.014 56.767 55.803 -0.083 0.000 0.897 71 Q CB -0.459 28.236 28.738 -0.071 0.000 0.956 71 Q HN 0.711 nan 8.270 nan 0.000 0.483 72 E N -0.904 119.265 120.200 -0.052 0.000 2.548 72 E HA 0.165 4.515 4.350 -0.000 0.000 0.206 72 E C 1.303 177.888 176.600 -0.024 0.000 1.005 72 E CA -0.116 56.265 56.400 -0.032 0.000 0.951 72 E CB 0.294 29.981 29.700 -0.022 0.000 1.035 72 E HN 0.229 nan 8.360 nan 0.000 0.470 73 M N -0.465 119.114 119.600 -0.035 0.000 2.160 73 M HA 0.088 4.568 4.480 -0.000 0.000 0.264 73 M C 1.337 177.627 176.300 -0.018 0.000 1.073 73 M CA 1.610 56.894 55.300 -0.027 0.000 1.142 73 M CB -0.488 32.085 32.600 -0.045 0.000 1.358 73 M HN 0.323 nan 8.290 nan 0.000 0.422 74 G N 0.409 109.195 108.800 -0.023 0.000 2.138 74 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.193 74 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.193 74 G C -0.193 174.700 174.900 -0.013 0.000 0.998 74 G CA -0.047 45.043 45.100 -0.016 0.000 0.668 74 G HN 0.323 nan 8.290 nan 0.000 0.516 75 V N 0.752 120.653 119.914 -0.021 0.000 2.417 75 V HA 0.460 4.579 4.120 -0.000 0.000 0.291 75 V C 1.039 177.108 176.094 -0.042 0.000 1.024 75 V CA -0.368 61.919 62.300 -0.022 0.000 0.861 75 V CB 1.677 33.493 31.823 -0.011 0.000 0.985 75 V HN 0.315 nan 8.190 nan 0.000 0.436 76 Q N 3.183 122.951 119.800 -0.054 0.000 2.373 76 Q HA 0.239 4.579 4.340 -0.000 0.000 0.210 76 Q C 0.345 176.290 176.000 -0.092 0.000 0.913 76 Q CA 0.480 56.243 55.803 -0.066 0.000 0.911 76 Q CB 0.806 29.505 28.738 -0.065 0.000 1.040 76 Q HN 0.847 nan 8.270 nan 0.000 0.521 77 R N -1.223 119.207 120.500 -0.117 0.000 2.728 77 R HA 0.565 4.905 4.340 -0.000 0.000 0.274 77 R C -1.312 174.866 176.300 -0.203 0.000 1.032 77 R CA -0.837 55.153 56.100 -0.182 0.000 0.866 77 R CB 1.241 31.391 30.300 -0.249 0.000 1.263 77 R HN -0.168 nan 8.270 nan 0.000 0.475 78 R N 0.448 120.777 120.500 -0.286 0.000 2.739 78 R HA 0.408 4.748 4.340 -0.000 0.000 0.271 78 R C -1.536 174.507 176.300 -0.428 0.000 1.010 78 R CA -1.004 54.973 56.100 -0.206 0.000 0.897 78 R CB 2.075 32.370 30.300 -0.009 0.000 1.236 78 R HN 0.509 nan 8.270 nan 0.000 0.466 79 Y N 1.328 121.674 120.300 0.076 0.000 2.352 79 Y HA 0.496 5.046 4.550 -0.000 0.000 0.339 79 Y C -0.230 175.710 175.900 0.066 0.000 0.992 79 Y CA -0.694 57.441 58.100 0.059 0.000 1.100 79 Y CB 1.508 40.034 38.460 0.110 0.000 1.192 79 Y HN 0.152 nan 8.280 nan 0.000 0.458 80 L N 3.204 124.490 121.223 0.105 0.000 2.381 80 L HA 0.333 4.673 4.340 -0.000 0.000 0.274 80 L C 0.708 177.614 176.870 0.059 0.000 0.988 80 L CA -0.877 53.997 54.840 0.056 0.000 0.824 80 L CB 1.749 43.668 42.059 -0.233 0.000 1.263 80 L HN 0.755 nan 8.230 nan 0.000 0.410 81 H N 3.020 122.172 119.070 0.138 0.000 2.321 81 H HA -0.090 4.466 4.556 -0.000 0.000 0.300 81 H C 0.897 176.297 175.328 0.121 0.000 1.087 81 H CA 1.374 57.499 56.048 0.129 0.000 1.319 81 H CB 0.155 30.004 29.762 0.145 0.000 1.379 81 H HN 0.601 nan 8.280 nan 0.000 0.501 82 H N 0.034 119.096 119.070 -0.013 0.000 2.790 82 H HA 0.329 4.885 4.556 -0.000 0.000 0.358 82 H C -0.014 175.313 175.328 -0.002 0.000 1.103 82 H CA 0.486 56.500 56.048 -0.057 0.000 1.426 82 H CB 0.330 30.088 29.762 -0.007 0.000 1.424 82 H HN 0.421 nan 8.280 nan 0.000 0.599 83 T N -1.561 112.996 114.554 0.004 0.000 2.865 83 T HA 0.160 4.510 4.350 -0.000 0.000 0.294 83 T C 1.016 175.798 174.700 0.136 0.000 1.119 83 T CA -0.533 61.594 62.100 0.044 0.000 1.007 83 T CB 2.262 71.123 68.868 -0.013 0.000 1.225 83 T HN 0.744 nan 8.240 nan 0.000 0.515 84 E N 0.348 120.682 120.200 0.223 0.000 2.114 84 E HA -0.299 4.050 4.350 -0.000 0.000 0.199 84 E C 1.706 178.345 176.600 0.066 0.000 1.008 84 E CA 1.920 58.410 56.400 0.149 0.000 0.810 84 E CB -0.088 29.720 29.700 0.179 0.000 0.739 84 E HN 0.757 nan 8.360 nan 0.000 0.456 85 E N 0.080 120.313 120.200 0.055 0.000 2.110 85 E HA -0.233 4.116 4.350 -0.000 0.000 0.193 85 E C 2.108 178.718 176.600 0.016 0.000 0.988 85 E CA 1.387 57.801 56.400 0.022 0.000 0.804 85 E CB -0.147 29.562 29.700 0.015 0.000 0.745 85 E HN 0.433 nan 8.360 nan 0.000 0.458 86 M N 0.277 119.907 119.600 0.050 0.000 2.175 86 M HA -0.124 4.356 4.480 -0.000 0.000 0.264 86 M C 1.989 178.360 176.300 0.118 0.000 1.063 86 M CA 1.126 56.490 55.300 0.107 0.000 1.119 86 M CB 0.089 32.780 32.600 0.151 0.000 1.377 86 M HN 0.111 nan 8.290 nan 0.000 0.415 87 L N -0.697 120.573 121.223 0.080 0.000 2.291 87 L HA -0.108 4.232 4.340 -0.000 0.000 0.214 87 L C 2.266 179.123 176.870 -0.021 0.000 1.120 87 L CA 0.593 55.460 54.840 0.045 0.000 0.799 87 L CB -0.477 41.574 42.059 -0.013 0.000 0.925 87 L HN 0.278 nan 8.230 nan 0.000 0.446 88 S N 0.007 115.686 115.700 -0.036 0.000 2.414 88 S HA -0.009 4.461 4.470 -0.000 0.000 0.227 88 S C 2.068 176.588 174.600 -0.133 0.000 1.022 88 S CA 0.973 59.133 58.200 -0.067 0.000 0.958 88 S CB -0.013 63.159 63.200 -0.046 0.000 0.797 88 S HN 0.467 nan 8.310 nan 0.000 0.493 89 A N 0.500 123.209 122.820 -0.186 0.000 2.169 89 A HA 0.056 4.376 4.320 -0.000 0.000 0.212 89 A C 0.448 177.622 177.584 -0.685 0.000 1.153 89 A CA 0.624 52.441 52.037 -0.366 0.000 0.756 89 A CB -0.083 18.701 19.000 -0.360 0.000 0.813 89 A HN 0.468 nan 8.150 nan 0.000 0.471 90 H N -0.765 118.135 119.070 -0.283 0.000 2.439 90 H HA 0.171 4.727 4.556 -0.000 0.000 0.228 90 H C -2.119 172.947 175.328 -0.436 0.000 1.423 90 H CA -1.395 54.309 56.048 -0.573 0.000 1.386 90 H CB 0.702 29.738 29.762 -1.211 0.000 1.641 90 H HN 0.292 nan 8.280 nan 0.000 0.508 91 P HA -0.194 nan 4.420 nan 0.000 0.216 91 P C 1.406 178.692 177.300 -0.024 0.000 1.150 91 P CA 1.233 64.288 63.100 -0.076 0.000 0.837 91 P CB 0.447 32.104 31.700 -0.071 0.000 0.786 92 E N -0.439 119.727 120.200 -0.056 0.000 2.401 92 E HA -0.163 4.187 4.350 -0.000 0.000 0.199 92 E C 1.542 178.268 176.600 0.211 0.000 1.023 92 E CA 0.813 57.238 56.400 0.042 0.000 0.859 92 E CB -1.248 28.470 29.700 0.031 0.000 0.780 92 E HN 0.206 nan 8.360 nan 0.000 0.523 93 F N 1.003 121.009 119.950 0.094 0.000 2.502 93 F HA -0.014 4.513 4.527 -0.000 0.000 0.298 93 F C 2.232 178.150 175.800 0.197 0.000 1.111 93 F CA 0.135 58.207 58.000 0.120 0.000 1.445 93 F CB -0.455 38.601 39.000 0.093 0.000 1.081 93 F HN -0.070 nan 8.300 nan 0.000 0.558 94 V N -1.301 118.809 119.914 0.327 0.000 2.685 94 V HA -0.076 4.044 4.120 -0.000 0.000 0.244 94 V C 0.643 176.797 176.094 0.100 0.000 1.054 94 V CA 0.584 63.017 62.300 0.221 0.000 1.076 94 V CB -0.466 31.440 31.823 0.139 0.000 0.725 94 V HN 0.026 nan 8.190 nan 0.000 0.467 95 D N 1.374 121.827 120.400 0.089 0.000 2.356 95 D HA -0.065 4.575 4.640 -0.000 0.000 0.272 95 D C 1.482 177.815 176.300 0.054 0.000 1.337 95 D CA 0.283 54.313 54.000 0.050 0.000 0.970 95 D CB 0.279 41.106 40.800 0.046 0.000 1.092 95 D HN 0.164 nan 8.370 nan 0.000 0.516 96 R N 2.920 123.434 120.500 0.023 0.000 2.249 96 R HA -0.134 4.206 4.340 -0.000 0.000 0.230 96 R C 0.237 176.551 176.300 0.024 0.000 1.121 96 R CA 1.181 57.291 56.100 0.016 0.000 0.997 96 R CB 0.308 30.602 30.300 -0.011 0.000 0.867 96 R HN 0.476 nan 8.270 nan 0.000 0.465 97 D N -0.568 119.848 120.400 0.026 0.000 2.392 97 D HA 0.083 4.723 4.640 -0.000 0.000 0.206 97 D C -0.114 176.206 176.300 0.033 0.000 1.046 97 D CA 0.232 54.248 54.000 0.025 0.000 0.865 97 D CB 0.518 41.329 40.800 0.018 0.000 0.969 97 D HN 0.191 nan 8.370 nan 0.000 0.509 98 A N 3.170 126.017 122.820 0.045 0.000 2.409 98 A HA 0.358 4.678 4.320 -0.000 0.000 0.267 98 A C -2.205 175.418 177.584 0.064 0.000 1.127 98 A CA -0.997 51.071 52.037 0.052 0.000 0.795 98 A CB 0.159 19.194 19.000 0.059 0.000 1.061 98 A HN -0.096 nan 8.150 nan 0.000 0.502 99 P HA 0.114 nan 4.420 nan 0.000 0.268 99 P C 0.135 177.482 177.300 0.078 0.000 1.205 99 P CA 0.252 63.381 63.100 0.049 0.000 0.771 99 P CB 1.198 32.917 31.700 0.032 0.000 0.858 100 S N 0.344 116.095 115.700 0.085 0.000 2.933 100 S HA 0.003 4.473 4.470 -0.000 0.000 0.236 100 S C 0.986 175.635 174.600 0.082 0.000 0.836 100 S CA -0.373 57.923 58.200 0.159 0.000 1.298 100 S CB -1.016 62.392 63.200 0.348 0.000 1.243 100 S HN 0.221 nan 8.310 nan 0.000 0.607 101 L N 2.844 124.058 121.223 -0.014 0.000 2.012 101 L HA -0.016 4.324 4.340 -0.000 0.000 0.210 101 L C 1.753 178.561 176.870 -0.102 0.000 1.073 101 L CA 2.415 57.187 54.840 -0.113 0.000 0.748 101 L CB -0.729 41.247 42.059 -0.138 0.000 0.891 101 L HN 0.233 nan 8.230 nan 0.000 0.431 102 D N 0.039 120.414 120.400 -0.042 0.000 2.108 102 D HA -0.256 4.384 4.640 -0.000 0.000 0.190 102 D C 2.223 178.534 176.300 0.019 0.000 0.995 102 D CA 1.886 55.875 54.000 -0.017 0.000 0.834 102 D CB -0.662 40.144 40.800 0.009 0.000 0.967 102 D HN 0.486 nan 8.370 nan 0.000 0.446 103 A N 1.042 123.909 122.820 0.078 0.000 1.903 103 A HA -0.299 4.020 4.320 -0.000 0.000 0.219 103 A C 2.184 179.819 177.584 0.085 0.000 1.191 103 A CA 2.260 54.367 52.037 0.116 0.000 0.638 103 A CB -0.641 18.474 19.000 0.192 0.000 0.823 103 A HN 0.193 nan 8.150 nan 0.000 0.451 104 R N -0.703 119.786 120.500 -0.018 0.000 2.088 104 R HA -0.077 4.263 4.340 -0.000 0.000 0.232 104 R C 2.194 178.408 176.300 -0.144 0.000 1.136 104 R CA 1.655 57.600 56.100 -0.258 0.000 0.926 104 R CB -0.704 29.327 30.300 -0.448 0.000 0.837 104 R HN 0.501 nan 8.270 nan 0.000 0.429 105 L N 0.933 122.084 121.223 -0.121 0.000 2.042 105 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 105 L C 1.643 178.562 176.870 0.081 0.000 1.076 105 L CA 1.148 55.980 54.840 -0.014 0.000 0.749 105 L CB -0.454 41.572 42.059 -0.055 0.000 0.893 105 L HN 0.213 nan 8.230 nan 0.000 0.432 106 D N -0.321 120.118 120.400 0.064 0.000 2.350 106 D HA -0.081 4.559 4.640 -0.000 0.000 0.216 106 D C 2.064 178.370 176.300 0.011 0.000 0.968 106 D CA 0.988 55.018 54.000 0.050 0.000 0.894 106 D CB 0.174 41.010 40.800 0.061 0.000 0.909 106 D HN 0.412 nan 8.370 nan 0.000 0.520 107 I N 0.110 120.682 120.570 0.004 0.000 2.927 107 I HA -0.018 4.152 4.170 -0.000 0.000 0.268 107 I C 2.298 178.387 176.117 -0.046 0.000 1.153 107 I CA 0.307 61.621 61.300 0.023 0.000 1.459 107 I CB 0.028 38.069 38.000 0.069 0.000 1.149 107 I HN -0.127 nan 8.210 nan 0.000 0.443 108 A N 0.980 123.753 122.820 -0.078 0.000 2.014 108 A HA -0.028 4.292 4.320 -0.000 0.000 0.218 108 A C 2.497 180.000 177.584 -0.135 0.000 1.163 108 A CA 1.448 53.416 52.037 -0.114 0.000 0.652 108 A CB -0.572 18.376 19.000 -0.088 0.000 0.808 108 A HN 0.385 nan 8.150 nan 0.000 0.449 109 A N 0.225 122.931 122.820 -0.191 0.000 1.940 109 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 109 A C 1.670 179.147 177.584 -0.179 0.000 1.176 109 A CA 2.091 53.926 52.037 -0.336 0.000 0.631 109 A CB -0.401 18.288 19.000 -0.518 0.000 0.814 109 A HN 0.473 nan 8.150 nan 0.000 0.446 110 D N -0.852 119.478 120.400 -0.117 0.000 2.259 110 D HA 0.237 4.877 4.640 -0.000 0.000 0.216 110 D C 2.239 178.487 176.300 -0.087 0.000 0.961 110 D CA 1.136 55.094 54.000 -0.071 0.000 0.878 110 D CB -0.545 40.239 40.800 -0.027 0.000 1.009 110 D HN 0.354 nan 8.370 nan 0.000 0.490 111 A N 1.035 123.768 122.820 -0.145 0.000 1.841 111 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 111 A C 2.431 179.905 177.584 -0.182 0.000 1.199 111 A CA 1.807 53.688 52.037 -0.260 0.000 0.621 111 A CB -1.042 17.611 19.000 -0.578 0.000 0.835 111 A HN 0.093 nan 8.150 nan 0.000 0.445 112 V N 0.691 120.515 119.914 -0.150 0.000 2.250 112 V HA -0.220 3.900 4.120 -0.000 0.000 0.250 112 V C -0.123 175.936 176.094 -0.058 0.000 1.060 112 V CA 2.658 64.905 62.300 -0.088 0.000 1.030 112 V CB -1.923 29.865 31.823 -0.058 0.000 0.643 112 V HN 0.404 nan 8.190 nan 0.000 0.445 113 P HA -0.149 nan 4.420 nan 0.000 0.221 113 P C 1.615 178.895 177.300 -0.032 0.000 1.145 113 P CA 1.395 64.475 63.100 -0.034 0.000 0.795 113 P CB 0.080 31.763 31.700 -0.028 0.000 0.775 114 E N -0.650 119.526 120.200 -0.039 0.000 2.042 114 E HA -0.109 4.241 4.350 -0.000 0.000 0.189 114 E C 1.800 178.388 176.600 -0.019 0.000 0.974 114 E CA 0.558 56.943 56.400 -0.025 0.000 0.806 114 E CB -0.447 29.241 29.700 -0.021 0.000 0.769 114 E HN 0.033 nan 8.360 nan 0.000 0.451 115 L N 1.051 122.258 121.223 -0.028 0.000 2.083 115 L HA -0.081 4.258 4.340 -0.000 0.000 0.209 115 L C 2.204 179.069 176.870 -0.009 0.000 1.083 115 L CA 2.011 56.845 54.840 -0.009 0.000 0.752 115 L CB -0.489 41.565 42.059 -0.008 0.000 0.899 115 L HN 0.140 nan 8.230 nan 0.000 0.433 116 A N -0.791 122.019 122.820 -0.017 0.000 1.969 116 A HA -0.022 4.298 4.320 -0.000 0.000 0.218 116 A C 2.438 180.009 177.584 -0.022 0.000 1.169 116 A CA 1.405 53.430 52.037 -0.019 0.000 0.635 116 A CB -0.952 18.035 19.000 -0.023 0.000 0.810 116 A HN 0.530 nan 8.150 nan 0.000 0.445 117 A N -0.037 122.771 122.820 -0.020 0.000 1.902 117 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 117 A C 1.918 179.493 177.584 -0.015 0.000 1.181 117 A CA 1.601 53.628 52.037 -0.018 0.000 0.623 117 A CB -0.496 18.495 19.000 -0.016 0.000 0.818 117 A HN 0.628 nan 8.150 nan 0.000 0.443 118 E N -0.275 119.918 120.200 -0.012 0.000 2.012 118 E HA -0.190 4.159 4.350 -0.000 0.000 0.197 118 E C 2.427 179.014 176.600 -0.022 0.000 1.007 118 E CA 1.090 57.483 56.400 -0.012 0.000 0.816 118 E CB -0.401 29.295 29.700 -0.007 0.000 0.762 118 E HN 0.574 nan 8.360 nan 0.000 0.451 119 A N 1.553 124.355 122.820 -0.030 0.000 1.927 119 A HA -0.276 4.043 4.320 -0.000 0.000 0.220 119 A C 2.398 179.950 177.584 -0.053 0.000 1.185 119 A CA 2.392 54.396 52.037 -0.054 0.000 0.639 119 A CB -0.856 18.110 19.000 -0.056 0.000 0.820 119 A HN 0.348 nan 8.150 nan 0.000 0.451 120 A N -0.761 122.035 122.820 -0.039 0.000 1.898 120 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 120 A C 2.127 179.705 177.584 -0.010 0.000 1.181 120 A CA 1.782 53.799 52.037 -0.033 0.000 0.620 120 A CB -0.392 18.591 19.000 -0.028 0.000 0.819 120 A HN 0.555 nan 8.150 nan 0.000 0.442 121 K N -0.696 119.702 120.400 -0.003 0.000 2.217 121 K HA -0.103 4.217 4.320 -0.000 0.000 0.202 121 K C 2.085 178.694 176.600 0.014 0.000 1.051 121 K CA 1.367 57.663 56.287 0.014 0.000 0.952 121 K CB -0.039 32.466 32.500 0.008 0.000 0.736 121 K HN 0.344 nan 8.250 nan 0.000 0.453 122 K N 1.250 121.647 120.400 -0.006 0.000 2.097 122 K HA -0.067 4.252 4.320 -0.000 0.000 0.205 122 K C 1.811 178.409 176.600 -0.003 0.000 1.050 122 K CA 1.305 57.585 56.287 -0.011 0.000 0.938 122 K CB -0.149 32.328 32.500 -0.037 0.000 0.718 122 K HN 0.106 nan 8.250 nan 0.000 0.442 123 A N 0.651 123.464 122.820 -0.013 0.000 1.855 123 A HA -0.064 4.255 4.320 -0.000 0.000 0.215 123 A C 2.213 179.840 177.584 0.070 0.000 1.191 123 A CA 1.624 53.656 52.037 -0.009 0.000 0.613 123 A CB -0.700 18.265 19.000 -0.059 0.000 0.829 123 A HN 0.307 nan 8.150 nan 0.000 0.442 124 I N 0.062 120.695 120.570 0.104 0.000 2.208 124 I HA -0.310 3.860 4.170 -0.000 0.000 0.245 124 I C 2.957 179.207 176.117 0.222 0.000 1.097 124 I CA 1.117 62.571 61.300 0.257 0.000 1.363 124 I CB -0.347 37.784 38.000 0.219 0.000 1.051 124 I HN 0.357 nan 8.210 nan 0.000 0.413 125 A N -0.035 122.853 122.820 0.113 0.000 1.940 125 A HA -0.269 4.050 4.320 -0.000 0.000 0.219 125 A C 2.382 180.010 177.584 0.074 0.000 1.176 125 A CA 1.957 54.035 52.037 0.069 0.000 0.631 125 A CB -0.549 18.473 19.000 0.037 0.000 0.814 125 A HN 0.483 nan 8.150 nan 0.000 0.446 126 E N -1.564 118.693 120.200 0.094 0.000 2.158 126 E HA -0.165 4.185 4.350 -0.000 0.000 0.191 126 E C 1.766 178.461 176.600 0.159 0.000 0.982 126 E CA 0.917 57.370 56.400 0.088 0.000 0.823 126 E CB -0.270 29.466 29.700 0.059 0.000 0.766 126 E HN 0.759 nan 8.360 nan 0.000 0.468 127 W N 1.132 122.419 121.300 -0.021 0.000 2.332 127 W HA -0.172 4.488 4.660 -0.001 0.000 0.321 127 W C 1.531 178.039 176.519 -0.017 0.000 1.219 127 W CA 3.203 60.537 57.345 -0.018 0.000 1.277 127 W CB -0.624 28.826 29.460 -0.016 0.000 1.161 127 W HN 0.264 nan 8.180 nan 0.000 0.476 128 G N -0.540 108.251 108.800 -0.014 0.000 2.211 128 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.201 128 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.201 128 G C 0.468 175.135 174.900 -0.388 0.000 0.997 128 G CA -0.077 44.911 45.100 -0.186 0.000 0.652 128 G HN 0.346 nan 8.290 nan 0.000 0.500 129 R N 0.759 120.828 120.500 -0.718 0.000 2.873 129 R HA 0.562 4.902 4.340 -0.000 0.000 0.264 129 R C -2.566 173.468 176.300 -0.443 0.000 1.026 129 R CA -1.716 53.901 56.100 -0.804 0.000 1.002 129 R CB 2.107 31.494 30.300 -1.522 0.000 1.174 129 R HN 0.112 nan 8.270 nan 0.000 0.488 130 P HA 0.057 nan 4.420 nan 0.000 0.275 130 P C -0.003 177.323 177.300 0.043 0.000 1.228 130 P CA 0.065 63.117 63.100 -0.080 0.000 0.786 130 P CB 1.055 32.709 31.700 -0.077 0.000 0.927 131 A N 3.563 126.446 122.820 0.105 0.000 2.032 131 A HA -0.174 4.146 4.320 -0.000 0.000 0.221 131 A C 2.180 179.838 177.584 0.123 0.000 1.165 131 A CA 2.078 54.208 52.037 0.155 0.000 0.645 131 A CB -1.489 17.562 19.000 0.086 0.000 0.807 131 A HN 0.613 nan 8.150 nan 0.000 0.453 132 A N -0.395 122.465 122.820 0.065 0.000 2.125 132 A HA -0.110 4.210 4.320 -0.000 0.000 0.219 132 A C 1.406 179.033 177.584 0.071 0.000 1.156 132 A CA 1.700 53.764 52.037 0.045 0.000 0.671 132 A CB -0.431 18.578 19.000 0.014 0.000 0.794 132 A HN 0.452 nan 8.150 nan 0.000 0.459 133 D N -0.462 120.011 120.400 0.121 0.000 2.355 133 D HA 0.126 4.766 4.640 -0.000 0.000 0.218 133 D C 0.347 176.820 176.300 0.288 0.000 1.004 133 D CA 0.178 54.284 54.000 0.176 0.000 0.880 133 D CB -0.101 40.769 40.800 0.118 0.000 0.911 133 D HN 0.479 nan 8.370 nan 0.000 0.528 134 I N 1.423 122.148 120.570 0.258 0.000 2.517 134 I HA -0.014 4.155 4.170 -0.000 0.000 0.285 134 I C 1.726 177.894 176.117 0.085 0.000 1.106 134 I CA 0.125 61.517 61.300 0.154 0.000 1.402 134 I CB 1.239 39.286 38.000 0.079 0.000 1.399 134 I HN -0.049 nan 8.210 nan 0.000 0.535 135 T N 1.341 115.952 114.554 0.095 0.000 3.033 135 T HA 0.111 4.460 4.350 -0.000 0.000 0.248 135 T C 0.499 175.113 174.700 -0.144 0.000 1.040 135 T CA 0.326 62.432 62.100 0.009 0.000 1.133 135 T CB -0.007 68.913 68.868 0.087 0.000 0.895 135 T HN 0.522 nan 8.240 nan 0.000 0.465 136 H N 0.401 119.463 119.070 -0.013 0.000 2.622 136 H HA 0.727 5.283 4.556 -0.000 0.000 0.363 136 H C -1.028 174.277 175.328 -0.039 0.000 1.151 136 H CA -1.187 54.848 56.048 -0.021 0.000 1.184 136 H CB 1.898 31.646 29.762 -0.023 0.000 1.643 136 H HN 0.118 nan 8.280 nan 0.000 0.531 137 L N 3.444 124.713 121.223 0.077 0.000 2.406 137 L HA 0.553 4.893 4.340 -0.000 0.000 0.272 137 L C -1.548 175.333 176.870 0.018 0.000 0.980 137 L CA -0.785 54.068 54.840 0.021 0.000 0.831 137 L CB 1.297 43.354 42.059 -0.004 0.000 1.253 137 L HN 0.475 nan 8.230 nan 0.000 0.406 138 V N 5.868 125.781 119.914 -0.003 0.000 2.444 138 V HA 0.579 4.699 4.120 -0.000 0.000 0.294 138 V C -0.231 175.845 176.094 -0.030 0.000 1.022 138 V CA -0.584 61.709 62.300 -0.012 0.000 0.850 138 V CB 2.091 33.906 31.823 -0.013 0.000 0.992 138 V HN 0.545 nan 8.190 nan 0.000 0.426 139 V N 3.950 123.841 119.914 -0.039 0.000 2.588 139 V HA 0.765 4.885 4.120 -0.000 0.000 0.304 139 V C -0.033 176.020 176.094 -0.068 0.000 1.042 139 V CA -0.402 61.868 62.300 -0.050 0.000 0.877 139 V CB 2.402 34.196 31.823 -0.049 0.000 0.996 139 V HN 1.001 nan 8.190 nan 0.000 0.425 140 T N 0.214 114.732 114.554 -0.059 0.000 2.881 140 T HA 0.792 5.142 4.350 -0.000 0.000 0.290 140 T C -0.690 173.980 174.700 -0.050 0.000 1.000 140 T CA -0.621 61.439 62.100 -0.066 0.000 0.978 140 T CB 1.896 70.723 68.868 -0.067 0.000 0.997 140 T HN 0.823 nan 8.240 nan 0.000 0.443 141 T N 1.599 116.135 114.554 -0.030 0.000 3.047 141 T HA 0.368 4.718 4.350 -0.000 0.000 0.340 141 T C -0.039 174.694 174.700 0.054 0.000 1.421 141 T CA -0.699 61.401 62.100 0.000 0.000 1.090 141 T CB 1.372 70.249 68.868 0.016 0.000 1.292 141 T HN 0.543 nan 8.240 nan 0.000 0.480 142 N N 1.474 120.195 118.700 0.034 0.000 2.446 142 N HA 0.052 4.792 4.740 -0.000 0.000 0.179 142 N C 0.533 176.127 175.510 0.140 0.000 1.054 142 N CA 0.341 53.447 53.050 0.094 0.000 0.905 142 N CB 0.284 38.801 38.487 0.050 0.000 0.973 142 N HN 0.457 nan 8.380 nan 0.000 0.448 143 S N 0.599 116.324 115.700 0.041 0.000 3.812 143 S HA 0.526 4.996 4.470 -0.000 0.000 0.195 143 S C 0.547 175.185 174.600 0.063 0.000 1.460 143 S CA -0.632 57.559 58.200 -0.016 0.000 1.052 143 S CB 0.289 63.441 63.200 -0.079 0.000 1.385 143 S HN 0.381 nan 8.310 nan 0.000 0.490 144 G N -0.016 108.884 108.800 0.166 0.000 2.556 144 G HA2 0.588 4.548 3.960 -0.000 0.000 0.294 144 G HA3 0.588 4.548 3.960 -0.000 0.000 0.294 144 G C -1.203 173.815 174.900 0.196 0.000 1.516 144 G CA -0.204 45.075 45.100 0.298 0.000 0.824 144 G HN 0.495 nan 8.290 nan 0.000 0.535 145 A N 1.209 124.017 122.820 -0.021 0.000 3.346 145 A HA 0.644 4.964 4.320 -0.000 0.000 0.222 145 A C -0.736 176.403 177.584 -0.741 0.000 1.138 145 A CA -0.294 51.401 52.037 -0.570 0.000 1.074 145 A CB -0.328 18.407 19.000 -0.442 0.000 1.347 145 A HN 0.993 nan 8.150 nan 0.000 0.751 146 H N -1.504 117.532 119.070 -0.056 0.000 2.928 146 H HA 0.762 5.317 4.556 -0.000 0.000 0.371 146 H C -0.811 174.590 175.328 0.122 0.000 1.186 146 H CA -1.041 55.026 56.048 0.033 0.000 1.134 146 H CB 2.134 31.920 29.762 0.040 0.000 1.824 146 H HN 0.179 nan 8.280 nan 0.000 0.554 147 V N 2.683 122.688 119.914 0.151 0.000 2.532 147 V HA 0.297 4.416 4.120 -0.000 0.000 0.294 147 V C -2.015 174.057 176.094 -0.037 0.000 1.036 147 V CA -1.359 60.981 62.300 0.067 0.000 0.876 147 V CB 1.316 33.165 31.823 0.042 0.000 1.012 147 V HN 0.802 nan 8.190 nan 0.000 0.432 148 P HA 0.333 nan 4.420 nan 0.000 0.268 148 P C 0.290 177.618 177.300 0.047 0.000 1.205 148 P CA 0.251 63.238 63.100 -0.189 0.000 0.771 148 P CB 1.309 32.524 31.700 -0.808 0.000 0.858 149 G N 0.505 109.380 108.800 0.125 0.000 2.532 149 G HA2 0.265 4.225 3.960 -0.000 0.000 0.291 149 G HA3 0.265 4.225 3.960 -0.000 0.000 0.291 149 G C 1.058 176.044 174.900 0.143 0.000 1.349 149 G CA -0.607 44.594 45.100 0.168 0.000 1.038 149 G HN 0.262 nan 8.290 nan 0.000 0.518 150 V N 1.431 121.396 119.914 0.085 0.000 2.380 150 V HA -0.216 3.904 4.120 -0.000 0.000 0.251 150 V C 2.785 178.907 176.094 0.047 0.000 1.063 150 V CA 2.548 64.876 62.300 0.047 0.000 1.055 150 V CB -0.686 31.143 31.823 0.010 0.000 0.657 150 V HN 0.889 nan 8.190 nan 0.000 0.455 151 D N -0.161 120.264 120.400 0.042 0.000 2.123 151 D HA -0.295 4.345 4.640 -0.000 0.000 0.196 151 D C 2.119 178.465 176.300 0.076 0.000 0.992 151 D CA 1.679 55.702 54.000 0.038 0.000 0.833 151 D CB -0.554 40.262 40.800 0.027 0.000 0.954 151 D HN 0.465 nan 8.370 nan 0.000 0.455 152 F N 2.349 122.291 119.950 -0.014 0.000 2.113 152 F HA -0.045 4.482 4.527 -0.000 0.000 0.297 152 F C 2.433 178.227 175.800 -0.010 0.000 1.103 152 F CA 1.245 59.241 58.000 -0.007 0.000 1.248 152 F CB -0.015 38.988 39.000 0.005 0.000 0.999 152 F HN -0.227 nan 8.300 nan 0.000 0.475 153 R N 0.473 121.051 120.500 0.131 0.000 2.241 153 R HA -0.079 4.261 4.340 -0.000 0.000 0.224 153 R C 2.022 178.278 176.300 -0.073 0.000 1.101 153 R CA 0.911 57.021 56.100 0.017 0.000 0.995 153 R CB -0.872 29.474 30.300 0.076 0.000 0.870 153 R HN 0.412 nan 8.270 nan 0.000 0.463 154 L N 0.309 121.491 121.223 -0.069 0.000 2.446 154 L HA -0.026 4.313 4.340 -0.000 0.000 0.219 154 L C 2.139 178.947 176.870 -0.102 0.000 1.116 154 L CA 0.083 54.882 54.840 -0.069 0.000 0.844 154 L CB -0.002 42.032 42.059 -0.043 0.000 0.970 154 L HN -0.094 nan 8.230 nan 0.000 0.457 155 V N 1.021 120.830 119.914 -0.174 0.000 2.223 155 V HA -0.186 3.934 4.120 -0.000 0.000 0.244 155 V C -0.189 175.808 176.094 -0.162 0.000 1.045 155 V CA 2.116 64.302 62.300 -0.191 0.000 1.000 155 V CB -1.456 30.178 31.823 -0.315 0.000 0.635 155 V HN 0.336 nan 8.190 nan 0.000 0.445 156 P HA -0.101 nan 4.420 nan 0.000 0.216 156 P C 1.955 179.207 177.300 -0.081 0.000 1.153 156 P CA 1.310 64.332 63.100 -0.130 0.000 0.848 156 P CB -0.084 31.534 31.700 -0.138 0.000 0.787 157 L N -1.648 119.529 121.223 -0.076 0.000 2.129 157 L HA -0.170 4.170 4.340 -0.000 0.000 0.212 157 L C 2.043 178.891 176.870 -0.035 0.000 1.087 157 L CA 1.437 56.249 54.840 -0.047 0.000 0.757 157 L CB -0.663 41.371 42.059 -0.042 0.000 0.896 157 L HN 0.014 nan 8.230 nan 0.000 0.434 158 L N -1.801 119.398 121.223 -0.040 0.000 2.638 158 L HA 0.304 4.644 4.340 -0.000 0.000 0.232 158 L C 1.354 178.214 176.870 -0.017 0.000 1.099 158 L CA 0.467 55.295 54.840 -0.021 0.000 0.883 158 L CB 0.187 42.237 42.059 -0.016 0.000 1.136 158 L HN 0.344 nan 8.230 nan 0.000 0.492 159 G N 1.182 109.962 108.800 -0.034 0.000 2.137 159 G HA2 -0.236 3.723 3.960 -0.000 0.000 0.237 159 G HA3 -0.236 3.723 3.960 -0.000 0.000 0.237 159 G C 0.247 175.132 174.900 -0.025 0.000 1.002 159 G CA -0.242 44.840 45.100 -0.029 0.000 0.702 159 G HN 0.159 nan 8.290 nan 0.000 0.515 160 L N -0.296 120.906 121.223 -0.035 0.000 2.483 160 L HA 0.253 4.593 4.340 -0.000 0.000 0.277 160 L C 1.578 178.426 176.870 -0.036 0.000 1.248 160 L CA -0.136 54.687 54.840 -0.028 0.000 0.825 160 L CB 0.212 42.245 42.059 -0.042 0.000 1.096 160 L HN 0.186 nan 8.230 nan 0.000 0.512 161 R N 1.604 122.090 120.500 -0.025 0.000 2.490 161 R HA 0.130 4.470 4.340 -0.000 0.000 0.280 161 R C -1.569 174.707 176.300 -0.040 0.000 1.077 161 R CA -1.541 54.542 56.100 -0.027 0.000 1.065 161 R CB 0.567 30.857 30.300 -0.017 0.000 1.003 161 R HN 0.357 nan 8.270 nan 0.000 0.470 162 P HA -0.165 nan 4.420 nan 0.000 0.218 162 P C 0.759 178.046 177.300 -0.022 0.000 1.148 162 P CA 1.309 64.389 63.100 -0.034 0.000 0.822 162 P CB 0.250 31.938 31.700 -0.020 0.000 0.784 163 S N -1.732 113.953 115.700 -0.026 0.000 2.603 163 S HA 0.045 4.515 4.470 -0.000 0.000 0.220 163 S C 0.813 175.379 174.600 -0.057 0.000 0.967 163 S CA -0.370 57.811 58.200 -0.031 0.000 0.920 163 S CB -1.231 61.952 63.200 -0.029 0.000 0.773 163 S HN -0.013 nan 8.310 nan 0.000 0.529 164 V N 2.857 122.736 119.914 -0.058 0.000 2.694 164 V HA 0.106 4.226 4.120 -0.000 0.000 0.306 164 V C 0.237 176.273 176.094 -0.097 0.000 1.054 164 V CA -0.076 62.173 62.300 -0.085 0.000 1.161 164 V CB 0.093 31.882 31.823 -0.056 0.000 0.916 164 V HN 0.480 nan 8.190 nan 0.000 0.490 165 R N 6.573 126.963 120.500 -0.184 0.000 2.210 165 R HA 0.430 4.770 4.340 -0.000 0.000 0.338 165 R C -0.268 176.009 176.300 -0.038 0.000 1.062 165 R CA -0.222 55.792 56.100 -0.142 0.000 0.902 165 R CB 0.678 30.807 30.300 -0.284 0.000 1.050 165 R HN 0.686 nan 8.270 nan 0.000 0.461 166 R N 1.214 121.714 120.500 0.001 0.000 2.540 166 R HA 0.385 4.725 4.340 -0.000 0.000 0.287 166 R C -0.483 175.834 176.300 0.028 0.000 0.980 166 R CA -0.525 55.588 56.100 0.022 0.000 0.966 166 R CB 1.972 32.291 30.300 0.031 0.000 1.106 166 R HN 0.354 nan 8.270 nan 0.000 0.480 167 T N 2.684 117.250 114.554 0.019 0.000 2.985 167 T HA 0.219 4.569 4.350 -0.000 0.000 0.315 167 T C -1.002 173.683 174.700 -0.025 0.000 1.001 167 T CA -0.618 61.485 62.100 0.006 0.000 1.016 167 T CB 0.976 69.852 68.868 0.013 0.000 0.993 167 T HN 0.281 nan 8.240 nan 0.000 0.454 168 M N 4.701 124.273 119.600 -0.046 0.000 2.108 168 M HA 0.506 4.986 4.480 -0.000 0.000 0.354 168 M C -1.481 174.727 176.300 -0.154 0.000 1.229 168 M CA -0.833 54.391 55.300 -0.127 0.000 1.081 168 M CB 0.061 32.560 32.600 -0.167 0.000 1.606 168 M HN 0.498 nan 8.290 nan 0.000 0.467 169 L N 6.253 127.378 121.223 -0.163 0.000 2.301 169 L HA 0.373 4.713 4.340 -0.000 0.000 0.278 169 L C -0.784 176.016 176.870 -0.117 0.000 1.022 169 L CA -0.481 54.296 54.840 -0.105 0.000 0.854 169 L CB 0.530 42.556 42.059 -0.055 0.000 1.226 169 L HN 0.736 nan 8.230 nan 0.000 0.429 170 H N 3.746 122.812 119.070 -0.006 0.000 2.580 170 H HA 0.232 4.787 4.556 -0.000 0.000 0.322 170 H C -0.081 175.203 175.328 -0.073 0.000 1.082 170 H CA -0.586 55.460 56.048 -0.003 0.000 1.383 170 H CB 1.168 30.944 29.762 0.023 0.000 1.450 170 H HN 0.423 nan 8.280 nan 0.000 0.505 171 L N 3.346 124.606 121.223 0.062 0.000 3.642 171 L HA -0.318 4.022 4.340 -0.000 0.000 0.613 171 L C -0.449 176.340 176.870 -0.135 0.000 1.064 171 L CA 0.869 55.658 54.840 -0.084 0.000 1.039 171 L CB -0.658 41.233 42.059 -0.281 0.000 1.226 171 L HN 0.873 nan 8.230 nan 0.000 0.764 172 N N 1.372 119.956 118.700 -0.193 0.000 2.184 172 N HA 0.380 5.120 4.740 -0.000 0.000 0.206 172 N C 1.079 176.155 175.510 -0.723 0.000 1.151 172 N CA 0.101 52.950 53.050 -0.334 0.000 0.878 172 N CB 0.490 38.821 38.487 -0.260 0.000 1.014 172 N HN 0.938 nan 8.380 nan 0.000 0.512 173 G N 0.905 109.428 108.800 -0.462 0.000 2.525 173 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.248 173 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.248 173 G C 0.664 175.262 174.900 -0.503 0.000 1.238 173 G CA -0.113 44.714 45.100 -0.454 0.000 0.926 173 G HN 0.285 nan 8.290 nan 0.000 0.574 174 C N 0.614 119.654 119.300 -0.435 0.000 2.456 174 C HA 0.218 4.678 4.460 -0.000 0.000 0.279 174 C C 2.299 177.049 174.990 -0.400 0.000 1.427 174 C CA 1.635 60.408 59.018 -0.409 0.000 1.778 174 C CB -1.951 25.651 27.740 -0.230 0.000 1.842 174 C HN 0.584 nan 8.230 nan 0.000 0.531 175 F N 0.003 119.858 119.950 -0.158 0.000 2.693 175 F HA 0.553 5.080 4.527 -0.000 0.000 0.303 175 F C 1.790 177.527 175.800 -0.105 0.000 1.097 175 F CA 0.016 57.935 58.000 -0.134 0.000 1.330 175 F CB -1.159 37.785 39.000 -0.094 0.000 1.067 175 F HN -0.008 nan 8.300 nan 0.000 0.565 176 A N 1.835 124.428 122.820 -0.379 0.000 1.892 176 A HA -0.043 4.277 4.320 -0.000 0.000 0.218 176 A C 2.534 180.077 177.584 -0.069 0.000 1.188 176 A CA 2.100 54.004 52.037 -0.221 0.000 0.631 176 A CB -1.586 17.257 19.000 -0.262 0.000 0.822 176 A HN 0.514 nan 8.150 nan 0.000 0.447 177 G N -1.109 107.647 108.800 -0.073 0.000 2.446 177 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.217 177 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.217 177 G C 1.632 176.531 174.900 -0.001 0.000 1.168 177 G CA 1.344 46.426 45.100 -0.029 0.000 0.771 177 G HN 0.536 nan 8.290 nan 0.000 0.551 178 C N 0.761 120.074 119.300 0.022 0.000 2.446 178 C HA 0.209 4.669 4.460 -0.000 0.000 0.277 178 C C 3.560 178.580 174.990 0.051 0.000 1.275 178 C CA 0.847 59.887 59.018 0.036 0.000 1.727 178 C CB -0.929 26.838 27.740 0.044 0.000 2.010 178 C HN 0.579 nan 8.230 nan 0.000 0.486 179 A N 0.376 123.258 122.820 0.102 0.000 1.933 179 A HA 0.039 4.358 4.320 -0.000 0.000 0.218 179 A C 2.326 179.939 177.584 0.049 0.000 1.175 179 A CA 2.079 54.180 52.037 0.107 0.000 0.628 179 A CB -0.782 18.358 19.000 0.233 0.000 0.814 179 A HN 0.583 nan 8.150 nan 0.000 0.444 180 A N -0.568 122.268 122.820 0.026 0.000 1.930 180 A HA 0.060 4.380 4.320 -0.000 0.000 0.217 180 A C 2.120 179.699 177.584 -0.009 0.000 1.175 180 A CA 1.310 53.347 52.037 0.000 0.000 0.627 180 A CB -0.487 18.503 19.000 -0.017 0.000 0.815 180 A HN 0.452 nan 8.150 nan 0.000 0.443 181 L N -0.951 120.268 121.223 -0.007 0.000 2.217 181 L HA -0.123 4.216 4.340 -0.000 0.000 0.211 181 L C 2.700 179.564 176.870 -0.010 0.000 1.107 181 L CA 1.394 56.224 54.840 -0.016 0.000 0.783 181 L CB -0.324 41.725 42.059 -0.016 0.000 0.919 181 L HN 0.517 nan 8.230 nan 0.000 0.442 182 R N 0.651 121.154 120.500 0.004 0.000 2.073 182 R HA -0.168 4.171 4.340 -0.000 0.000 0.234 182 R C 2.255 178.552 176.300 -0.006 0.000 1.134 182 R CA 1.471 57.575 56.100 0.007 0.000 0.952 182 R CB -0.291 30.017 30.300 0.013 0.000 0.850 182 R HN 0.255 nan 8.270 nan 0.000 0.433 183 L N 0.571 121.789 121.223 -0.008 0.000 2.012 183 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 183 L C 2.818 179.664 176.870 -0.040 0.000 1.073 183 L CA 1.490 56.319 54.840 -0.018 0.000 0.748 183 L CB -0.942 41.110 42.059 -0.011 0.000 0.891 183 L HN 0.407 nan 8.230 nan 0.000 0.431 184 A N 0.499 123.292 122.820 -0.045 0.000 1.927 184 A HA -0.319 4.000 4.320 -0.000 0.000 0.220 184 A C 2.401 179.941 177.584 -0.074 0.000 1.185 184 A CA 2.403 54.397 52.037 -0.071 0.000 0.639 184 A CB -0.603 18.359 19.000 -0.063 0.000 0.820 184 A HN 0.416 nan 8.150 nan 0.000 0.451 185 K N -0.639 119.735 120.400 -0.044 0.000 2.044 185 K HA -0.242 4.077 4.320 -0.000 0.000 0.210 185 K C 1.404 177.978 176.600 -0.044 0.000 1.049 185 K CA 2.016 58.283 56.287 -0.033 0.000 0.927 185 K CB -0.227 32.267 32.500 -0.009 0.000 0.713 185 K HN 0.436 nan 8.250 nan 0.000 0.443 186 D N 0.379 120.752 120.400 -0.045 0.000 2.103 186 D HA -0.111 4.529 4.640 -0.000 0.000 0.199 186 D C 1.971 178.220 176.300 -0.084 0.000 0.978 186 D CA 0.849 54.820 54.000 -0.048 0.000 0.829 186 D CB -0.251 40.529 40.800 -0.033 0.000 0.981 186 D HN 0.095 nan 8.370 nan 0.000 0.464 187 L N 1.158 122.302 121.223 -0.131 0.000 2.043 187 L HA -0.161 4.179 4.340 -0.000 0.000 0.212 187 L C 2.397 179.079 176.870 -0.314 0.000 1.075 187 L CA 1.565 56.247 54.840 -0.264 0.000 0.752 187 L CB -1.079 40.756 42.059 -0.373 0.000 0.891 187 L HN -0.023 nan 8.230 nan 0.000 0.432 188 A N -1.160 121.531 122.820 -0.215 0.000 1.898 188 A HA -0.127 4.193 4.320 -0.000 0.000 0.214 188 A C 2.215 179.755 177.584 -0.073 0.000 1.183 188 A CA 1.135 53.085 52.037 -0.144 0.000 0.622 188 A CB -0.370 18.569 19.000 -0.101 0.000 0.824 188 A HN 0.482 nan 8.150 nan 0.000 0.444 189 E N -0.563 119.603 120.200 -0.056 0.000 2.274 189 E HA -0.128 4.221 4.350 -0.000 0.000 0.194 189 E C 1.308 177.896 176.600 -0.020 0.000 0.996 189 E CA 0.862 57.246 56.400 -0.026 0.000 0.840 189 E CB -0.125 29.565 29.700 -0.017 0.000 0.772 189 E HN 0.600 nan 8.360 nan 0.000 0.491 190 N N -0.099 118.582 118.700 -0.033 0.000 2.412 190 N HA -0.006 4.734 4.740 -0.000 0.000 0.184 190 N C -0.804 174.707 175.510 0.003 0.000 1.101 190 N CA 0.208 53.250 53.050 -0.015 0.000 0.881 190 N CB 0.636 39.113 38.487 -0.017 0.000 0.969 190 N HN -0.186 nan 8.380 nan 0.000 0.459 191 S N 0.343 116.045 115.700 0.004 0.000 2.789 191 S HA 0.261 4.731 4.470 -0.000 0.000 0.286 191 S C -1.106 173.517 174.600 0.038 0.000 1.153 191 S CA -0.868 57.355 58.200 0.037 0.000 1.084 191 S CB 1.020 64.272 63.200 0.086 0.000 1.036 191 S HN 0.301 nan 8.310 nan 0.000 0.484 192 R N 1.499 122.020 120.500 0.035 0.000 2.458 192 R HA 0.471 4.811 4.340 -0.000 0.000 0.303 192 R C 1.025 177.355 176.300 0.051 0.000 1.013 192 R CA 0.574 56.696 56.100 0.036 0.000 1.026 192 R CB -0.374 29.944 30.300 0.029 0.000 0.948 192 R HN 0.855 nan 8.270 nan 0.000 0.417 193 G N 1.625 110.461 108.800 0.061 0.000 2.339 193 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.209 193 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.209 193 G C 0.317 175.283 174.900 0.110 0.000 1.015 193 G CA -0.230 44.919 45.100 0.081 0.000 0.635 193 G HN 1.001 nan 8.290 nan 0.000 0.499 194 A N 1.014 123.899 122.820 0.108 0.000 2.565 194 A HA 0.512 4.832 4.320 -0.000 0.000 0.237 194 A C 0.574 178.219 177.584 0.103 0.000 1.053 194 A CA 0.801 52.927 52.037 0.148 0.000 0.755 194 A CB 0.128 19.175 19.000 0.079 0.000 0.980 194 A HN 0.453 nan 8.150 nan 0.000 0.506 195 R N 1.977 122.558 120.500 0.136 0.000 2.483 195 R HA 0.409 4.749 4.340 -0.000 0.000 0.303 195 R C -1.566 174.723 176.300 -0.018 0.000 0.987 195 R CA -0.551 55.567 56.100 0.030 0.000 0.881 195 R CB 1.526 31.899 30.300 0.121 0.000 1.177 195 R HN 0.457 nan 8.270 nan 0.000 0.451 196 V N 4.675 124.529 119.914 -0.101 0.000 2.350 196 V HA 0.278 4.398 4.120 -0.000 0.000 0.276 196 V C 0.127 176.128 176.094 -0.154 0.000 1.028 196 V CA -0.937 61.314 62.300 -0.080 0.000 0.860 196 V CB 1.344 33.111 31.823 -0.094 0.000 0.990 196 V HN 0.473 nan 8.190 nan 0.000 0.453 197 L N 7.383 128.529 121.223 -0.129 0.000 2.281 197 L HA 0.551 4.890 4.340 -0.000 0.000 0.285 197 L C -0.253 176.560 176.870 -0.094 0.000 1.074 197 L CA 0.473 55.222 54.840 -0.152 0.000 0.817 197 L CB 1.255 43.239 42.059 -0.124 0.000 1.168 197 L HN 0.435 nan 8.230 nan 0.000 0.434 198 V N 6.184 126.038 119.914 -0.100 0.000 2.417 198 V HA 0.556 4.676 4.120 -0.000 0.000 0.291 198 V C -0.357 175.697 176.094 -0.067 0.000 1.024 198 V CA -0.588 61.670 62.300 -0.071 0.000 0.861 198 V CB 1.752 33.535 31.823 -0.067 0.000 0.985 198 V HN 0.565 nan 8.190 nan 0.000 0.436 199 V N 3.758 123.640 119.914 -0.052 0.000 2.588 199 V HA 0.857 4.976 4.120 -0.000 0.000 0.304 199 V C 0.052 176.125 176.094 -0.034 0.000 1.042 199 V CA -0.556 61.717 62.300 -0.045 0.000 0.877 199 V CB 1.842 33.640 31.823 -0.041 0.000 0.996 199 V HN 0.974 nan 8.190 nan 0.000 0.425 200 A N 3.649 126.457 122.820 -0.021 0.000 2.335 200 A HA 0.986 5.306 4.320 -0.000 0.000 0.304 200 A C -0.281 177.312 177.584 0.015 0.000 1.118 200 A CA -0.150 51.881 52.037 -0.009 0.000 0.757 200 A CB 1.461 20.459 19.000 -0.002 0.000 1.188 200 A HN 1.449 nan 8.150 nan 0.000 0.460 201 A N 1.789 124.611 122.820 0.003 0.000 2.515 201 A HA 0.922 5.242 4.320 -0.000 0.000 0.296 201 A C -0.919 176.664 177.584 -0.002 0.000 1.094 201 A CA -0.518 51.527 52.037 0.013 0.000 0.718 201 A CB 1.781 20.782 19.000 0.001 0.000 1.307 201 A HN 0.913 nan 8.150 nan 0.000 0.408 202 E N 0.653 120.856 120.200 0.005 0.000 2.307 202 E HA 0.552 4.902 4.350 -0.000 0.000 0.280 202 E C -2.172 174.439 176.600 0.018 0.000 0.900 202 E CA -0.181 56.217 56.400 -0.004 0.000 0.790 202 E CB 1.207 30.904 29.700 -0.005 0.000 1.261 202 E HN 0.513 nan 8.360 nan 0.000 0.405 203 L N 4.787 125.999 121.223 -0.019 0.000 2.318 203 L HA 0.352 4.692 4.340 -0.000 0.000 0.277 203 L C 1.240 178.088 176.870 -0.037 0.000 1.008 203 L CA -0.399 54.450 54.840 0.015 0.000 0.846 203 L CB 1.633 43.672 42.059 -0.034 0.000 1.220 203 L HN 0.838 nan 8.230 nan 0.000 0.423 204 T N -0.796 113.831 114.554 0.122 0.000 3.051 204 T HA -0.128 4.222 4.350 -0.000 0.000 0.269 204 T C 1.570 176.267 174.700 -0.005 0.000 1.127 204 T CA 0.654 62.870 62.100 0.194 0.000 1.107 204 T CB -0.323 68.837 68.868 0.487 0.000 0.898 204 T HN 0.548 nan 8.240 nan 0.000 0.517 205 L N -1.700 119.413 121.223 -0.183 0.000 2.450 205 L HA 0.209 4.549 4.340 -0.000 0.000 0.224 205 L C 2.119 178.765 176.870 -0.374 0.000 1.149 205 L CA 1.123 55.682 54.840 -0.469 0.000 0.816 205 L CB -1.169 40.642 42.059 -0.413 0.000 0.932 205 L HN 0.054 nan 8.230 nan 0.000 0.449 206 M N -1.104 118.273 119.600 -0.372 0.000 2.254 206 M HA -0.046 4.434 4.480 -0.000 0.000 0.265 206 M C 2.065 178.188 176.300 -0.295 0.000 1.066 206 M CA 1.579 56.623 55.300 -0.426 0.000 1.123 206 M CB -0.940 31.332 32.600 -0.547 0.000 1.388 206 M HN 0.368 nan 8.290 nan 0.000 0.425 207 Y N -1.144 119.154 120.300 -0.003 0.000 2.347 207 Y HA 0.119 4.669 4.550 -0.000 0.000 0.294 207 Y C 0.934 176.837 175.900 0.004 0.000 1.117 207 Y CA -1.098 57.021 58.100 0.032 0.000 1.184 207 Y CB -0.921 37.611 38.460 0.120 0.000 1.047 207 Y HN -0.039 nan 8.280 nan 0.000 0.546 208 F N 1.943 121.911 119.950 0.030 0.000 2.480 208 F HA 0.082 4.609 4.527 -0.000 0.000 0.409 208 F C 0.594 176.391 175.800 -0.005 0.000 0.979 208 F CA 0.864 58.854 58.000 -0.017 0.000 1.184 208 F CB 0.233 39.148 39.000 -0.142 0.000 0.925 208 F HN -0.043 nan 8.300 nan 0.000 0.543 209 T N 3.943 118.251 114.554 -0.410 0.000 2.802 209 T HA 0.581 4.930 4.350 -0.000 0.000 0.311 209 T C -0.092 174.422 174.700 -0.311 0.000 1.405 209 T CA -0.172 61.834 62.100 -0.158 0.000 1.016 209 T CB 0.720 69.544 68.868 -0.074 0.000 1.352 209 T HN 0.923 nan 8.240 nan 0.000 0.498 210 G N 2.195 110.913 108.800 -0.137 0.000 2.667 210 G HA2 0.525 4.485 3.960 -0.000 0.000 0.250 210 G HA3 0.525 4.485 3.960 -0.000 0.000 0.250 210 G C -2.350 172.419 174.900 -0.218 0.000 1.212 210 G CA -0.813 44.157 45.100 -0.216 0.000 0.874 210 G HN 0.608 nan 8.290 nan 0.000 0.561 216 F N 2.925 122.873 119.950 -0.002 0.000 2.171 216 F HA -0.080 4.446 4.527 -0.000 0.000 0.300 216 F C 2.394 178.175 175.800 -0.032 0.000 1.090 216 F CA 2.240 60.239 58.000 -0.000 0.000 1.293 216 F CB -0.146 38.854 39.000 0.000 0.000 1.013 216 F HN 0.772 nan 8.300 nan 0.000 0.486 217 R N -0.485 119.916 120.500 -0.165 0.000 2.113 217 R HA -0.240 4.100 4.340 -0.000 0.000 0.244 217 R C 2.338 178.416 176.300 -0.370 0.000 1.142 217 R CA 2.212 58.141 56.100 -0.286 0.000 0.953 217 R CB -1.027 29.211 30.300 -0.104 0.000 0.860 217 R HN 0.381 nan 8.270 nan 0.000 0.438 218 T N -0.445 113.949 114.554 -0.266 0.000 2.995 218 T HA 0.027 4.376 4.350 -0.000 0.000 0.269 218 T C 1.722 176.194 174.700 -0.380 0.000 1.091 218 T CA 0.804 62.729 62.100 -0.291 0.000 1.128 218 T CB 0.014 68.758 68.868 -0.207 0.000 0.891 218 T HN 0.238 nan 8.240 nan 0.000 0.492 219 L N 0.226 121.244 121.223 -0.342 0.000 2.068 219 L HA 0.126 4.465 4.340 -0.000 0.000 0.204 219 L C 2.443 179.170 176.870 -0.237 0.000 1.076 219 L CA 0.610 55.323 54.840 -0.211 0.000 0.753 219 L CB -0.597 41.505 42.059 0.073 0.000 0.910 219 L HN 0.279 nan 8.230 nan 0.000 0.439 220 L N -0.104 120.717 121.223 -0.670 0.000 1.990 220 L HA -0.190 4.150 4.340 -0.000 0.000 0.213 220 L C 2.392 178.942 176.870 -0.533 0.000 1.072 220 L CA 1.834 56.272 54.840 -0.671 0.000 0.755 220 L CB -0.631 40.814 42.059 -1.023 0.000 0.889 220 L HN -0.075 nan 8.230 nan 0.000 0.432 221 V N -0.097 119.421 119.914 -0.660 0.000 2.233 221 V HA -0.328 3.791 4.120 -0.000 0.000 0.247 221 V C 2.677 178.467 176.094 -0.507 0.000 1.050 221 V CA 2.005 63.786 62.300 -0.866 0.000 1.010 221 V CB -0.828 30.562 31.823 -0.720 0.000 0.637 221 V HN 0.563 nan 8.190 nan 0.000 0.444 222 Q N 0.136 119.707 119.800 -0.383 0.000 2.376 222 Q HA -0.142 4.198 4.340 -0.000 0.000 0.211 222 Q C 1.896 177.913 176.000 0.028 0.000 0.986 222 Q CA 1.646 57.278 55.803 -0.286 0.000 0.886 222 Q CB -0.646 27.555 28.738 -0.895 0.000 0.927 222 Q HN 0.717 nan 8.270 nan 0.000 0.457 223 G N -1.085 107.746 108.800 0.052 0.000 3.519 223 G HA2 0.279 4.239 3.960 -0.000 0.000 0.269 223 G HA3 0.279 4.239 3.960 -0.000 0.000 0.269 223 G C 0.834 175.710 174.900 -0.039 0.000 1.028 223 G CA -0.066 45.066 45.100 0.054 0.000 0.809 223 G HN 0.264 nan 8.290 nan 0.000 0.521 224 L N -1.459 119.710 121.223 -0.090 0.000 2.713 224 L HA 0.603 4.942 4.340 -0.000 0.000 0.223 224 L C -0.456 176.539 176.870 0.208 0.000 1.040 224 L CA -0.033 54.788 54.840 -0.032 0.000 0.894 224 L CB 0.057 42.008 42.059 -0.179 0.000 1.361 224 L HN -0.086 nan 8.230 nan 0.000 0.490 225 F N 1.396 121.364 119.950 0.030 0.000 2.427 225 F HA 0.647 5.174 4.527 -0.000 0.000 0.352 225 F C 1.106 176.987 175.800 0.135 0.000 1.100 225 F CA -0.969 57.079 58.000 0.081 0.000 1.191 225 F CB 0.168 39.219 39.000 0.086 0.000 1.128 225 F HN 0.120 nan 8.300 nan 0.000 0.533 226 G N 1.821 110.810 108.800 0.315 0.000 2.714 226 G HA2 0.526 4.486 3.960 -0.000 0.000 0.292 226 G HA3 0.526 4.486 3.960 -0.000 0.000 0.292 226 G C -1.400 173.622 174.900 0.204 0.000 1.308 226 G CA -0.754 44.491 45.100 0.241 0.000 0.964 226 G HN 0.373 nan 8.290 nan 0.000 0.484 227 D N -1.078 119.448 120.400 0.210 0.000 2.332 227 D HA 0.718 5.357 4.640 -0.000 0.000 0.252 227 D C 0.509 176.862 176.300 0.088 0.000 1.050 227 D CA 0.457 54.555 54.000 0.163 0.000 0.970 227 D CB 1.740 42.666 40.800 0.211 0.000 1.141 227 D HN 0.831 nan 8.370 nan 0.000 0.485 228 G N -1.450 107.380 108.800 0.050 0.000 2.340 228 G HA2 0.598 4.558 3.960 -0.000 0.000 0.298 228 G HA3 0.598 4.558 3.960 -0.000 0.000 0.298 228 G C -2.016 172.946 174.900 0.103 0.000 1.498 228 G CA -0.257 44.864 45.100 0.035 0.000 0.847 228 G HN 0.577 nan 8.290 nan 0.000 0.594 229 A N -0.809 122.130 122.820 0.198 0.000 2.427 229 A HA 1.038 5.358 4.320 -0.000 0.000 0.298 229 A C -0.247 177.418 177.584 0.135 0.000 1.036 229 A CA 0.213 52.330 52.037 0.133 0.000 0.701 229 A CB 1.578 20.608 19.000 0.050 0.000 1.250 229 A HN 2.482 nan 8.150 nan 0.000 0.412 230 A N 1.179 124.039 122.820 0.067 0.000 2.343 230 A HA 0.868 5.188 4.320 -0.000 0.000 0.308 230 A C -0.130 177.402 177.584 -0.088 0.000 1.092 230 A CA 0.115 52.095 52.037 -0.095 0.000 0.751 230 A CB 1.138 20.086 19.000 -0.087 0.000 1.203 230 A HN 2.348 nan 8.150 nan 0.000 0.452 231 A N 1.764 124.510 122.820 -0.124 0.000 2.330 231 A HA 0.784 5.104 4.320 -0.000 0.000 0.327 231 A C -0.816 176.696 177.584 -0.120 0.000 1.155 231 A CA -0.507 51.468 52.037 -0.103 0.000 0.803 231 A CB 1.206 20.152 19.000 -0.089 0.000 1.208 231 A HN 1.323 nan 8.150 nan 0.000 0.477 232 V N 3.498 123.339 119.914 -0.121 0.000 2.686 232 V HA 0.377 4.497 4.120 -0.000 0.000 0.306 232 V C -0.789 175.191 176.094 -0.190 0.000 1.065 232 V CA -0.532 61.687 62.300 -0.135 0.000 0.894 232 V CB 1.815 33.575 31.823 -0.104 0.000 1.004 232 V HN 0.748 nan 8.190 nan 0.000 0.424 233 I N 4.610 125.022 120.570 -0.262 0.000 2.321 233 I HA 0.479 4.649 4.170 -0.000 0.000 0.291 233 I C -0.272 175.652 176.117 -0.321 0.000 0.998 233 I CA -0.379 60.656 61.300 -0.441 0.000 1.227 233 I CB 1.555 39.056 38.000 -0.832 0.000 1.368 233 I HN 0.273 nan 8.210 nan 0.000 0.466 234 V N 5.474 125.232 119.914 -0.260 0.000 2.487 234 V HA 0.886 5.006 4.120 -0.000 0.000 0.298 234 V C 0.309 176.324 176.094 -0.131 0.000 1.028 234 V CA -0.387 61.822 62.300 -0.152 0.000 0.860 234 V CB 1.911 33.672 31.823 -0.103 0.000 0.991 234 V HN 0.966 nan 8.190 nan 0.000 0.427 235 G N 2.769 111.528 108.800 -0.068 0.000 2.718 235 G HA2 0.755 4.715 3.960 -0.000 0.000 0.295 235 G HA3 0.755 4.715 3.960 -0.000 0.000 0.295 235 G C -1.154 173.754 174.900 0.013 0.000 1.421 235 G CA -0.116 44.976 45.100 -0.014 0.000 0.902 235 G HN 1.022 nan 8.290 nan 0.000 0.501 236 A N 0.910 123.741 122.820 0.019 0.000 2.306 236 A HA 0.759 5.079 4.320 -0.000 0.000 0.330 236 A C -0.223 177.382 177.584 0.036 0.000 1.146 236 A CA -0.260 51.790 52.037 0.022 0.000 0.827 236 A CB 0.465 19.471 19.000 0.011 0.000 1.178 236 A HN 1.046 nan 8.150 nan 0.000 0.490 237 D N -0.458 119.961 120.400 0.031 0.000 3.620 237 D HA -0.107 4.533 4.640 -0.000 0.000 0.237 237 D C 0.309 176.635 176.300 0.043 0.000 1.111 237 D CA 1.380 55.399 54.000 0.032 0.000 1.070 237 D CB -1.364 39.453 40.800 0.028 0.000 0.891 237 D HN 1.097 nan 8.370 nan 0.000 0.412 238 A N 1.882 124.727 122.820 0.042 0.000 2.498 238 A HA 0.277 4.597 4.320 -0.000 0.000 0.239 238 A C 0.689 178.297 177.584 0.039 0.000 1.068 238 A CA 0.014 52.084 52.037 0.055 0.000 0.766 238 A CB 0.566 19.593 19.000 0.045 0.000 1.003 238 A HN 0.283 nan 8.150 nan 0.000 0.497 239 D N 0.689 121.114 120.400 0.042 0.000 2.433 239 D HA 0.187 4.827 4.640 -0.000 0.000 0.255 239 D C 0.510 176.809 176.300 -0.002 0.000 1.226 239 D CA -0.436 53.571 54.000 0.011 0.000 1.015 239 D CB 0.333 41.128 40.800 -0.009 0.000 1.091 239 D HN 0.504 nan 8.370 nan 0.000 0.527 240 D N -0.606 119.784 120.400 -0.016 0.000 2.178 240 D HA -0.123 4.517 4.640 -0.000 0.000 0.201 240 D C 1.924 178.208 176.300 -0.027 0.000 0.980 240 D CA 0.847 54.835 54.000 -0.020 0.000 0.842 240 D CB 0.031 40.818 40.800 -0.023 0.000 0.948 240 D HN 0.266 nan 8.370 nan 0.000 0.472 241 V N -1.424 118.463 119.914 -0.044 0.000 2.725 241 V HA 0.055 4.175 4.120 -0.000 0.000 0.247 241 V C 0.837 176.907 176.094 -0.041 0.000 1.058 241 V CA 0.346 62.611 62.300 -0.059 0.000 1.080 241 V CB -0.474 31.286 31.823 -0.105 0.000 0.713 241 V HN -0.079 nan 8.190 nan 0.000 0.465 242 E N 1.820 122.009 120.200 -0.018 0.000 2.409 242 E HA 0.378 4.728 4.350 -0.000 0.000 0.257 242 E C 0.116 176.746 176.600 0.049 0.000 1.150 242 E CA -0.153 56.282 56.400 0.058 0.000 0.942 242 E CB 0.367 30.156 29.700 0.148 0.000 0.979 242 E HN 0.714 nan 8.360 nan 0.000 0.447 243 R N 0.812 121.353 120.500 0.068 0.000 2.575 243 R HA 0.366 4.706 4.340 -0.000 0.000 0.292 243 R C -2.949 173.352 176.300 0.001 0.000 1.246 243 R CA -1.985 54.127 56.100 0.019 0.000 0.973 243 R CB 0.785 31.086 30.300 0.002 0.000 1.187 243 R HN 0.144 nan 8.270 nan 0.000 0.478 244 P HA -0.025 nan 4.420 nan 0.000 0.260 244 P C 0.056 177.276 177.300 -0.134 0.000 1.185 244 P CA 0.101 63.170 63.100 -0.051 0.000 0.763 244 P CB 0.753 32.419 31.700 -0.057 0.000 0.776 245 L N 2.198 123.330 121.223 -0.152 0.000 2.262 245 L HA 0.243 4.583 4.340 -0.000 0.000 0.197 245 L C 0.417 176.852 176.870 -0.725 0.000 1.073 245 L CA 0.796 55.406 54.840 -0.383 0.000 0.800 245 L CB -0.163 41.785 42.059 -0.185 0.000 0.987 245 L HN 0.247 nan 8.230 nan 0.000 0.470 246 F N -0.905 119.008 119.950 -0.061 0.000 2.599 246 F HA 0.415 4.941 4.527 -0.000 0.000 0.311 246 F C -0.351 175.436 175.800 -0.022 0.000 1.076 246 F CA -0.838 57.140 58.000 -0.037 0.000 0.937 246 F CB 1.789 40.788 39.000 -0.002 0.000 1.282 246 F HN -0.205 nan 8.300 nan 0.000 0.460 247 E N 2.273 122.588 120.200 0.192 0.000 2.187 247 E HA 0.479 4.829 4.350 -0.000 0.000 0.268 247 E C -1.011 175.675 176.600 0.144 0.000 0.896 247 E CA -0.667 55.812 56.400 0.131 0.000 0.766 247 E CB 2.274 32.043 29.700 0.114 0.000 1.142 247 E HN 0.435 nan 8.360 nan 0.000 0.408 248 I N 4.003 124.625 120.570 0.087 0.000 2.311 248 I HA -0.003 4.167 4.170 -0.000 0.000 0.297 248 I C 1.218 177.358 176.117 0.039 0.000 1.131 248 I CA -0.157 61.173 61.300 0.051 0.000 1.289 248 I CB 0.334 38.352 38.000 0.030 0.000 1.446 248 I HN 0.437 nan 8.210 nan 0.000 0.524 249 V N 3.353 123.280 119.914 0.023 0.000 2.307 249 V HA -0.125 3.995 4.120 -0.000 0.000 0.245 249 V C 1.033 177.137 176.094 0.017 0.000 1.045 249 V CA 1.303 63.606 62.300 0.007 0.000 1.024 249 V CB -0.189 31.608 31.823 -0.042 0.000 0.651 249 V HN 0.769 nan 8.190 nan 0.000 0.449 250 S N -1.454 114.259 115.700 0.021 0.000 2.533 250 S HA 0.744 5.214 4.470 -0.000 0.000 0.271 250 S C -1.076 173.645 174.600 0.202 0.000 1.143 250 S CA -0.023 58.249 58.200 0.120 0.000 0.891 250 S CB 1.674 65.004 63.200 0.216 0.000 1.105 250 S HN 0.560 nan 8.310 nan 0.000 0.468 251 A N 2.521 125.444 122.820 0.172 0.000 2.318 251 A HA 0.953 5.273 4.320 -0.000 0.000 0.317 251 A C -0.074 177.575 177.584 0.107 0.000 1.159 251 A CA -0.140 51.992 52.037 0.158 0.000 0.799 251 A CB 1.008 20.049 19.000 0.069 0.000 1.194 251 A HN 1.348 nan 8.150 nan 0.000 0.479 252 A N 1.668 124.534 122.820 0.077 0.000 2.475 252 A HA 0.955 5.275 4.320 -0.000 0.000 0.281 252 A C -0.679 176.831 177.584 -0.123 0.000 1.263 252 A CA -0.623 51.349 52.037 -0.108 0.000 0.776 252 A CB 1.640 20.410 19.000 -0.382 0.000 1.347 252 A HN 1.006 nan 8.150 nan 0.000 0.443 253 Q N -0.395 119.302 119.800 -0.172 0.000 2.443 253 Q HA 0.517 4.856 4.340 -0.000 0.000 0.258 253 Q C -1.620 174.275 176.000 -0.176 0.000 0.967 253 Q CA -0.232 55.464 55.803 -0.178 0.000 0.951 253 Q CB 2.053 30.686 28.738 -0.175 0.000 1.459 253 Q HN 0.951 nan 8.270 nan 0.000 0.415 254 T N 2.487 116.938 114.554 -0.172 0.000 2.804 254 T HA 0.762 5.112 4.350 -0.000 0.000 0.290 254 T C -1.346 173.286 174.700 -0.114 0.000 1.099 254 T CA -0.444 61.578 62.100 -0.130 0.000 1.011 254 T CB 1.179 69.983 68.868 -0.107 0.000 1.291 254 T HN 0.498 nan 8.240 nan 0.000 0.523 255 I N 2.157 122.682 120.570 -0.075 0.000 2.466 255 I HA 0.460 4.630 4.170 -0.000 0.000 0.289 255 I C -0.388 175.720 176.117 -0.015 0.000 1.026 255 I CA -0.807 60.462 61.300 -0.052 0.000 1.078 255 I CB 1.843 39.809 38.000 -0.057 0.000 1.249 255 I HN 0.523 nan 8.210 nan 0.000 0.429 256 I N 7.932 128.510 120.570 0.012 0.000 2.416 256 I HA 0.218 4.388 4.170 -0.000 0.000 0.288 256 I C -2.094 174.032 176.117 0.014 0.000 1.051 256 I CA -1.541 59.775 61.300 0.026 0.000 1.375 256 I CB 0.687 38.716 38.000 0.049 0.000 1.407 256 I HN 0.199 nan 8.210 nan 0.000 0.516 257 P HA 0.042 nan 4.420 nan 0.000 0.272 257 P C -0.569 176.745 177.300 0.023 0.000 1.230 257 P CA -0.240 62.867 63.100 0.012 0.000 0.788 257 P CB 0.277 31.983 31.700 0.010 0.000 0.949 258 E N -0.181 120.037 120.200 0.030 0.000 2.165 258 E HA -0.222 4.127 4.350 -0.000 0.000 0.203 258 E C -0.099 176.543 176.600 0.069 0.000 1.335 258 E CA 0.840 57.274 56.400 0.057 0.000 0.708 258 E CB -2.051 27.680 29.700 0.052 0.000 1.105 258 E HN 0.523 nan 8.360 nan 0.000 0.346 259 S N -2.016 113.714 115.700 0.050 0.000 2.893 259 S HA 0.061 4.530 4.470 -0.000 0.000 0.258 259 S C 0.777 175.394 174.600 0.029 0.000 1.034 259 S CA 0.058 58.290 58.200 0.053 0.000 1.167 259 S CB 0.286 63.511 63.200 0.041 0.000 1.137 259 S HN 0.290 nan 8.310 nan 0.000 0.650 260 D N 0.975 121.352 120.400 -0.037 0.000 2.309 260 D HA -0.177 4.463 4.640 -0.000 0.000 0.212 260 D C 1.447 177.639 176.300 -0.180 0.000 0.968 260 D CA 1.058 54.982 54.000 -0.127 0.000 0.882 260 D CB -0.620 40.053 40.800 -0.212 0.000 0.918 260 D HN 0.538 nan 8.370 nan 0.000 0.503 261 H N -0.347 118.740 119.070 0.027 0.000 2.548 261 H HA 0.370 4.926 4.556 -0.000 0.000 0.268 261 H C 1.727 177.073 175.328 0.030 0.000 0.975 261 H CA 0.875 56.939 56.048 0.026 0.000 1.195 261 H CB 0.405 30.179 29.762 0.020 0.000 1.397 261 H HN 0.378 nan 8.280 nan 0.000 0.572 262 A N 0.497 123.388 122.820 0.118 0.000 2.195 262 A HA 0.255 4.575 4.320 -0.000 0.000 0.210 262 A C 0.750 178.379 177.584 0.076 0.000 1.165 262 A CA 0.225 52.316 52.037 0.089 0.000 0.806 262 A CB 0.418 19.461 19.000 0.071 0.000 0.847 262 A HN 0.173 nan 8.150 nan 0.000 0.482 263 L N 0.687 121.951 121.223 0.068 0.000 2.596 263 L HA 0.363 4.703 4.340 -0.000 0.000 0.265 263 L C -1.706 175.198 176.870 0.057 0.000 0.962 263 L CA -0.559 54.324 54.840 0.071 0.000 0.891 263 L CB 2.106 44.220 42.059 0.091 0.000 1.248 263 L HN 0.236 nan 8.230 nan 0.000 0.410 264 N N 3.734 122.466 118.700 0.054 0.000 2.509 264 N HA 0.862 5.602 4.740 -0.000 0.000 0.280 264 N C -1.227 174.311 175.510 0.047 0.000 1.306 264 N CA -0.787 52.288 53.050 0.041 0.000 0.782 264 N CB 2.527 41.035 38.487 0.034 0.000 1.493 264 N HN 0.430 nan 8.380 nan 0.000 0.498 265 M N 0.513 120.135 119.600 0.035 0.000 2.490 265 M HA 0.460 4.939 4.480 -0.000 0.000 0.286 265 M C -2.164 174.143 176.300 0.011 0.000 1.185 265 M CA -0.428 54.901 55.300 0.048 0.000 0.912 265 M CB 2.301 34.926 32.600 0.042 0.000 1.744 265 M HN 0.809 nan 8.290 nan 0.000 0.494 266 R N 2.541 123.064 120.500 0.039 0.000 2.858 266 R HA 0.388 4.728 4.340 -0.000 0.000 0.252 266 R C -2.107 174.278 176.300 0.141 0.000 1.063 266 R CA -0.864 55.233 56.100 -0.006 0.000 0.955 266 R CB 0.533 30.835 30.300 0.005 0.000 1.259 266 R HN 0.519 nan 8.270 nan 0.000 0.477 267 F N 1.855 121.800 119.950 -0.007 0.000 2.506 267 F HA 0.297 4.824 4.527 -0.000 0.000 0.351 267 F C 1.176 176.967 175.800 -0.015 0.000 1.136 267 F CA 0.621 58.606 58.000 -0.025 0.000 1.298 267 F CB 1.547 40.513 39.000 -0.057 0.000 1.145 267 F HN 0.767 nan 8.300 nan 0.000 0.593 268 T N -1.357 113.298 114.554 0.169 0.000 2.841 268 T HA 0.252 4.601 4.350 -0.000 0.000 0.296 268 T C 0.335 175.056 174.700 0.034 0.000 1.166 268 T CA -0.883 61.268 62.100 0.086 0.000 1.007 268 T CB 1.769 70.680 68.868 0.071 0.000 1.253 268 T HN 0.592 nan 8.240 nan 0.000 0.511 269 E N 0.060 120.275 120.200 0.025 0.000 2.153 269 E HA -0.078 4.272 4.350 -0.000 0.000 0.194 269 E C 2.158 178.762 176.600 0.005 0.000 0.988 269 E CA 1.039 57.444 56.400 0.007 0.000 0.811 269 E CB -0.028 29.681 29.700 0.015 0.000 0.746 269 E HN 0.503 nan 8.360 nan 0.000 0.466 270 R N 0.051 120.561 120.500 0.017 0.000 2.080 270 R HA 0.104 4.444 4.340 -0.000 0.000 0.222 270 R C 0.854 177.154 176.300 0.002 0.000 1.107 270 R CA 0.913 57.028 56.100 0.025 0.000 0.980 270 R CB 0.171 30.492 30.300 0.034 0.000 0.879 270 R HN 0.086 nan 8.270 nan 0.000 0.439 271 R N -1.681 118.815 120.500 -0.006 0.000 2.789 271 R HA 0.197 4.537 4.340 -0.000 0.000 0.279 271 R C -1.761 174.552 176.300 0.022 0.000 1.010 271 R CA -0.989 55.091 56.100 -0.033 0.000 0.855 271 R CB 0.150 30.449 30.300 -0.002 0.000 1.312 271 R HN -0.109 nan 8.270 nan 0.000 0.479 272 L N 1.629 122.873 121.223 0.034 0.000 2.319 272 L HA 0.453 4.793 4.340 -0.000 0.000 0.280 272 L C -0.856 176.168 176.870 0.256 0.000 1.099 272 L CA 0.741 55.692 54.840 0.185 0.000 0.828 272 L CB 0.716 42.858 42.059 0.138 0.000 1.150 272 L HN 0.740 nan 8.230 nan 0.000 0.442 273 D N 2.396 122.926 120.400 0.216 0.000 2.714 273 D HA 0.902 5.542 4.640 -0.000 0.000 0.278 273 D C -0.307 176.069 176.300 0.125 0.000 1.102 273 D CA 0.417 54.511 54.000 0.157 0.000 1.108 273 D CB 2.141 43.001 40.800 0.100 0.000 1.444 273 D HN 0.793 nan 8.370 nan 0.000 0.568 274 G N -1.219 107.628 108.800 0.079 0.000 2.360 274 G HA2 0.416 4.376 3.960 -0.000 0.000 0.276 274 G HA3 0.416 4.376 3.960 -0.000 0.000 0.276 274 G C -1.857 173.069 174.900 0.044 0.000 1.256 274 G CA -0.198 44.940 45.100 0.062 0.000 0.890 274 G HN 0.566 nan 8.290 nan 0.000 0.486 275 V N 0.367 120.309 119.914 0.047 0.000 2.789 275 V HA 0.669 4.789 4.120 -0.000 0.000 0.311 275 V C -0.344 175.780 176.094 0.049 0.000 1.073 275 V CA -0.534 61.793 62.300 0.046 0.000 0.921 275 V CB 1.784 33.643 31.823 0.060 0.000 1.009 275 V HN 0.658 nan 8.190 nan 0.000 0.426 276 L N 3.887 125.137 121.223 0.045 0.000 2.594 276 L HA 0.469 4.809 4.340 -0.000 0.000 0.245 276 L C 1.000 177.917 176.870 0.079 0.000 1.460 276 L CA -0.353 54.520 54.840 0.055 0.000 0.865 276 L CB 1.070 43.138 42.059 0.014 0.000 1.131 276 L HN 0.836 nan 8.230 nan 0.000 0.506 277 G N 0.249 109.094 108.800 0.074 0.000 2.562 277 G HA2 0.019 3.979 3.960 -0.000 0.000 0.233 277 G HA3 0.019 3.979 3.960 -0.000 0.000 0.233 277 G C 0.754 175.695 174.900 0.068 0.000 1.266 277 G CA -0.275 44.868 45.100 0.071 0.000 0.852 277 G HN 0.580 nan 8.290 nan 0.000 0.581 278 R N 0.348 120.881 120.500 0.056 0.000 2.276 278 R HA -0.046 4.293 4.340 -0.000 0.000 0.203 278 R C 2.398 178.708 176.300 0.017 0.000 1.017 278 R CA 0.811 56.934 56.100 0.038 0.000 1.010 278 R CB 0.079 30.384 30.300 0.008 0.000 0.900 278 R HN 0.684 nan 8.270 nan 0.000 0.469 279 Q N 0.287 120.097 119.800 0.017 0.000 2.369 279 Q HA -0.055 4.285 4.340 -0.000 0.000 0.206 279 Q C 1.990 177.988 176.000 -0.003 0.000 0.963 279 Q CA 0.750 56.556 55.803 0.005 0.000 0.894 279 Q CB 0.037 28.783 28.738 0.013 0.000 0.965 279 Q HN 0.123 nan 8.270 nan 0.000 0.475 280 V N 1.718 121.637 119.914 0.008 0.000 2.231 280 V HA -0.253 3.866 4.120 -0.000 0.000 0.250 280 V C -0.691 175.371 176.094 -0.053 0.000 1.058 280 V CA 2.265 64.562 62.300 -0.005 0.000 1.022 280 V CB -1.606 30.232 31.823 0.026 0.000 0.640 280 V HN 0.275 nan 8.190 nan 0.000 0.445 281 P HA -0.115 nan 4.420 nan 0.000 0.219 281 P C 1.605 178.845 177.300 -0.102 0.000 1.146 281 P CA 1.802 64.851 63.100 -0.085 0.000 0.808 281 P CB -0.305 31.363 31.700 -0.053 0.000 0.779 282 G N -0.449 108.309 108.800 -0.070 0.000 2.394 282 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.215 282 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.215 282 G C 1.380 176.235 174.900 -0.075 0.000 1.165 282 G CA 0.299 45.360 45.100 -0.064 0.000 0.784 282 G HN 0.117 nan 8.290 nan 0.000 0.535 283 L N 0.720 121.900 121.223 -0.072 0.000 1.989 283 L HA -0.019 4.321 4.340 -0.000 0.000 0.211 283 L C 2.972 179.766 176.870 -0.127 0.000 1.071 283 L CA 1.346 56.146 54.840 -0.068 0.000 0.749 283 L CB -1.139 40.896 42.059 -0.039 0.000 0.890 283 L HN 0.243 nan 8.230 nan 0.000 0.431 284 I N -0.286 120.140 120.570 -0.241 0.000 2.127 284 I HA -0.250 3.920 4.170 -0.000 0.000 0.241 284 I C 2.588 178.525 176.117 -0.299 0.000 1.075 284 I CA 1.582 62.599 61.300 -0.471 0.000 1.334 284 I CB -0.941 36.606 38.000 -0.754 0.000 1.040 284 I HN 0.306 nan 8.210 nan 0.000 0.405 285 G N 0.131 108.800 108.800 -0.219 0.000 2.462 285 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.220 285 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.220 285 G C 1.000 175.840 174.900 -0.100 0.000 1.121 285 G CA 1.261 46.270 45.100 -0.151 0.000 0.758 285 G HN 0.401 nan 8.290 nan 0.000 0.559 286 D N -0.856 119.496 120.400 -0.080 0.000 2.367 286 D HA 0.096 4.735 4.640 -0.000 0.000 0.207 286 D C 1.867 178.151 176.300 -0.026 0.000 1.034 286 D CA 0.193 54.166 54.000 -0.044 0.000 0.861 286 D CB 0.311 41.092 40.800 -0.032 0.000 0.943 286 D HN 0.192 nan 8.370 nan 0.000 0.515 287 N N -0.508 118.173 118.700 -0.031 0.000 2.297 287 N HA -0.015 4.724 4.740 -0.000 0.000 0.208 287 N C 1.642 177.174 175.510 0.036 0.000 1.176 287 N CA 0.084 53.139 53.050 0.008 0.000 0.882 287 N CB 0.763 39.264 38.487 0.022 0.000 1.134 287 N HN -0.030 nan 8.380 nan 0.000 0.489 288 V N 2.395 122.319 119.914 0.017 0.000 2.357 288 V HA -0.313 3.807 4.120 -0.000 0.000 0.257 288 V C 2.254 178.366 176.094 0.031 0.000 1.082 288 V CA 2.336 64.692 62.300 0.093 0.000 1.078 288 V CB -0.158 31.674 31.823 0.015 0.000 0.663 288 V HN 0.352 nan 8.190 nan 0.000 0.455 289 E N -0.662 119.525 120.200 -0.021 0.000 2.051 289 E HA -0.235 4.114 4.350 -0.000 0.000 0.189 289 E C 2.369 179.037 176.600 0.113 0.000 0.979 289 E CA 0.912 57.313 56.400 0.001 0.000 0.803 289 E CB -0.227 29.502 29.700 0.048 0.000 0.761 289 E HN 0.463 nan 8.360 nan 0.000 0.451 290 R N 0.434 120.988 120.500 0.091 0.000 2.127 290 R HA -0.104 4.235 4.340 -0.000 0.000 0.238 290 R C 2.134 178.479 176.300 0.074 0.000 1.134 290 R CA 1.579 57.732 56.100 0.089 0.000 0.975 290 R CB -1.022 29.313 30.300 0.059 0.000 0.865 290 R HN 0.315 nan 8.270 nan 0.000 0.447 291 C N -0.411 118.929 119.300 0.067 0.000 2.462 291 C HA -0.004 4.456 4.460 -0.000 0.000 0.278 291 C C 2.578 177.586 174.990 0.029 0.000 1.253 291 C CA 0.575 59.617 59.018 0.040 0.000 1.713 291 C CB -1.114 26.670 27.740 0.073 0.000 2.049 291 C HN 0.493 nan 8.230 nan 0.000 0.477 292 L N 1.100 122.383 121.223 0.101 0.000 1.997 292 L HA -0.241 4.099 4.340 -0.000 0.000 0.216 292 L C 2.524 179.532 176.870 0.230 0.000 1.074 292 L CA 1.954 56.919 54.840 0.208 0.000 0.763 292 L CB -0.824 41.383 42.059 0.247 0.000 0.890 292 L HN 0.448 nan 8.230 nan 0.000 0.434 293 L N -2.590 118.781 121.223 0.247 0.000 2.093 293 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 293 L C 1.558 178.458 176.870 0.051 0.000 1.085 293 L CA 1.542 56.498 54.840 0.193 0.000 0.755 293 L CB -0.992 41.183 42.059 0.194 0.000 0.904 293 L HN 0.026 nan 8.230 nan 0.000 0.435 294 D N -0.462 119.938 120.400 0.001 0.000 2.392 294 D HA -0.019 4.621 4.640 -0.000 0.000 0.228 294 D C 1.785 177.986 176.300 -0.165 0.000 1.003 294 D CA 1.028 54.994 54.000 -0.058 0.000 0.917 294 D CB 0.002 40.776 40.800 -0.044 0.000 0.890 294 D HN 0.481 nan 8.370 nan 0.000 0.532 295 M N -1.767 117.652 119.600 -0.302 0.000 2.379 295 M HA 0.179 4.658 4.480 -0.000 0.000 0.268 295 M C -0.175 175.605 176.300 -0.867 0.000 1.185 295 M CA 0.207 55.095 55.300 -0.687 0.000 1.121 295 M CB 1.206 33.158 32.600 -1.078 0.000 1.608 295 M HN -0.134 nan 8.290 nan 0.000 0.569 296 F N -0.119 119.854 119.950 0.037 0.000 2.677 296 F HA 0.450 4.977 4.527 -0.001 0.000 0.388 296 F C 1.372 177.188 175.800 0.027 0.000 1.400 296 F CA -0.910 57.105 58.000 0.026 0.000 1.162 296 F CB -0.833 38.186 39.000 0.032 0.000 1.135 296 F HN -0.014 nan 8.300 nan 0.000 0.516 297 G N 1.840 110.708 108.800 0.113 0.000 2.806 297 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.214 297 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.214 297 G C -0.670 174.267 174.900 0.061 0.000 1.331 297 G CA 0.634 45.780 45.100 0.077 0.000 0.807 297 G HN 0.281 nan 8.290 nan 0.000 0.644 308 W N 1.914 123.306 121.300 0.153 0.000 2.468 308 W HA 0.072 4.732 4.660 -0.000 0.000 0.262 308 W C 2.202 178.932 176.519 0.352 0.000 1.241 308 W CA 0.743 58.260 57.345 0.286 0.000 1.232 308 W CB 0.180 29.812 29.460 0.287 0.000 1.124 308 W HN 0.227 nan 8.180 nan 0.000 0.597 309 N N 0.231 119.167 118.700 0.395 0.000 2.512 309 N HA -0.115 4.625 4.740 -0.000 0.000 0.183 309 N C 0.622 176.291 175.510 0.264 0.000 1.073 309 N CA 1.062 54.313 53.050 0.336 0.000 0.911 309 N CB -0.337 38.280 38.487 0.217 0.000 0.964 309 N HN 0.261 nan 8.380 nan 0.000 0.447 310 D N 0.583 121.086 120.400 0.173 0.000 2.363 310 D HA 0.063 4.703 4.640 -0.000 0.000 0.220 310 D C 0.689 177.011 176.300 0.037 0.000 0.994 310 D CA 0.369 54.416 54.000 0.077 0.000 0.890 310 D CB 0.528 41.323 40.800 -0.008 0.000 0.906 310 D HN 0.267 nan 8.370 nan 0.000 0.530 311 L N 0.221 121.485 121.223 0.067 0.000 2.334 311 L HA 0.406 4.745 4.340 -0.000 0.000 0.270 311 L C 0.029 176.821 176.870 -0.131 0.000 1.018 311 L CA -1.391 53.325 54.840 -0.207 0.000 0.811 311 L CB 0.971 42.766 42.059 -0.440 0.000 1.271 311 L HN -0.194 nan 8.230 nan 0.000 0.443 312 F N -1.380 118.455 119.950 -0.190 0.000 2.408 312 F HA 0.734 5.261 4.527 -0.000 0.000 0.325 312 F C -1.031 174.566 175.800 -0.339 0.000 1.082 312 F CA -1.442 56.530 58.000 -0.046 0.000 1.032 312 F CB 0.469 39.513 39.000 0.072 0.000 1.259 312 F HN 0.211 nan 8.300 nan 0.000 0.503 313 W N 0.403 121.944 121.300 0.402 0.000 2.950 313 W HA 0.740 5.400 4.660 -0.000 0.000 0.340 313 W C -1.062 175.580 176.519 0.205 0.000 1.139 313 W CA -1.259 56.235 57.345 0.250 0.000 1.188 313 W CB 2.276 31.825 29.460 0.149 0.000 1.426 313 W HN 0.773 nan 8.180 nan 0.000 0.531 314 A N 2.161 125.203 122.820 0.370 0.000 3.007 314 A HA 0.622 4.942 4.320 -0.000 0.000 0.314 314 A C -1.684 176.040 177.584 0.234 0.000 1.153 314 A CA -0.458 51.712 52.037 0.221 0.000 0.780 314 A CB 0.007 19.057 19.000 0.083 0.000 1.258 314 A HN 0.352 nan 8.150 nan 0.000 0.460 315 V N 1.978 122.050 119.914 0.264 0.000 2.435 315 V HA 0.298 4.418 4.120 -0.000 0.000 0.290 315 V C 0.411 176.635 176.094 0.218 0.000 1.030 315 V CA -0.649 61.804 62.300 0.256 0.000 0.881 315 V CB 1.337 33.317 31.823 0.263 0.000 0.983 315 V HN 0.885 nan 8.190 nan 0.000 0.445 316 H N 7.299 126.467 119.070 0.164 0.000 3.004 316 H HA 0.235 4.790 4.556 -0.000 0.000 0.316 316 H C -2.321 173.110 175.328 0.172 0.000 1.014 316 H CA -1.183 54.955 56.048 0.150 0.000 1.454 316 H CB 1.067 30.910 29.762 0.135 0.000 1.472 316 H HN 0.425 nan 8.280 nan 0.000 0.571 317 P HA 0.179 nan 4.420 nan 0.000 0.266 317 P C 0.792 177.840 177.300 -0.421 0.000 1.567 317 P CA -0.362 62.553 63.100 -0.309 0.000 1.077 317 P CB 1.285 32.917 31.700 -0.113 0.000 1.396 318 G N 3.826 112.459 108.800 -0.278 0.000 2.586 318 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.218 318 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.218 318 G C 0.477 175.381 174.900 0.008 0.000 1.216 318 G CA 1.165 46.252 45.100 -0.022 0.000 0.786 318 G HN 0.700 nan 8.290 nan 0.000 0.583 319 S N -3.469 112.224 115.700 -0.011 0.000 2.636 319 S HA 0.487 4.957 4.470 -0.000 0.000 0.268 319 S C 0.688 175.277 174.600 -0.019 0.000 1.159 319 S CA 0.613 58.811 58.200 -0.003 0.000 0.815 319 S CB 1.010 64.221 63.200 0.018 0.000 1.130 319 S HN 0.220 nan 8.310 nan 0.000 0.471 320 S N 0.316 116.007 115.700 -0.014 0.000 2.400 320 S HA -0.155 4.315 4.470 -0.000 0.000 0.234 320 S C 1.638 176.221 174.600 -0.027 0.000 1.049 320 S CA 2.512 60.701 58.200 -0.019 0.000 1.039 320 S CB -1.137 62.055 63.200 -0.014 0.000 0.856 320 S HN 0.797 nan 8.310 nan 0.000 0.465 321 T N 1.328 115.867 114.554 -0.024 0.000 2.915 321 T HA 0.028 4.378 4.350 -0.000 0.000 0.269 321 T C 1.514 176.183 174.700 -0.052 0.000 1.071 321 T CA 1.137 63.218 62.100 -0.033 0.000 1.132 321 T CB -0.230 68.625 68.868 -0.022 0.000 0.878 321 T HN 0.320 nan 8.240 nan 0.000 0.479 322 I N 0.838 121.376 120.570 -0.054 0.000 2.500 322 I HA -0.002 4.168 4.170 -0.000 0.000 0.252 322 I C 2.191 178.256 176.117 -0.086 0.000 1.142 322 I CA 0.897 62.146 61.300 -0.086 0.000 1.451 322 I CB -0.433 37.525 38.000 -0.071 0.000 1.093 322 I HN 0.176 nan 8.210 nan 0.000 0.430 323 M N -0.317 119.247 119.600 -0.060 0.000 2.200 323 M HA -0.133 4.346 4.480 -0.000 0.000 0.265 323 M C 1.757 178.012 176.300 -0.075 0.000 1.066 323 M CA 1.453 56.718 55.300 -0.059 0.000 1.127 323 M CB -1.108 31.471 32.600 -0.036 0.000 1.379 323 M HN 0.216 nan 8.290 nan 0.000 0.420 324 D N 0.184 120.545 120.400 -0.064 0.000 2.097 324 D HA -0.154 4.486 4.640 -0.000 0.000 0.195 324 D C 2.156 178.406 176.300 -0.083 0.000 0.989 324 D CA 1.029 54.991 54.000 -0.064 0.000 0.827 324 D CB -0.194 40.576 40.800 -0.050 0.000 0.966 324 D HN 0.373 nan 8.370 nan 0.000 0.456 325 Q N 0.586 120.330 119.800 -0.093 0.000 2.061 325 Q HA -0.101 4.239 4.340 -0.000 0.000 0.204 325 Q C 2.600 178.516 176.000 -0.141 0.000 0.984 325 Q CA 0.734 56.469 55.803 -0.112 0.000 0.846 325 Q CB -0.515 28.146 28.738 -0.129 0.000 0.902 325 Q HN 0.228 nan 8.270 nan 0.000 0.421 326 V N 1.894 121.712 119.914 -0.160 0.000 2.295 326 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 326 V C 1.910 177.858 176.094 -0.243 0.000 1.049 326 V CA 1.987 64.162 62.300 -0.208 0.000 1.024 326 V CB -0.585 31.123 31.823 -0.192 0.000 0.648 326 V HN 0.261 nan 8.190 nan 0.000 0.447 327 D N 0.131 120.414 120.400 -0.195 0.000 2.149 327 D HA -0.158 4.482 4.640 -0.000 0.000 0.198 327 D C 2.164 178.388 176.300 -0.127 0.000 0.990 327 D CA 1.740 55.637 54.000 -0.171 0.000 0.839 327 D CB -0.131 40.603 40.800 -0.110 0.000 0.948 327 D HN 0.467 nan 8.370 nan 0.000 0.460 328 A N 1.160 123.917 122.820 -0.105 0.000 1.832 328 A HA 0.038 4.358 4.320 -0.000 0.000 0.214 328 A C 2.333 179.873 177.584 -0.074 0.000 1.204 328 A CA 2.028 54.021 52.037 -0.072 0.000 0.606 328 A CB -0.897 18.066 19.000 -0.062 0.000 0.849 328 A HN 0.210 nan 8.150 nan 0.000 0.445 329 A N -0.958 121.801 122.820 -0.102 0.000 2.131 329 A HA 0.017 4.337 4.320 -0.000 0.000 0.220 329 A C 1.962 179.477 177.584 -0.116 0.000 1.158 329 A CA 1.584 53.563 52.037 -0.097 0.000 0.665 329 A CB -0.442 18.485 19.000 -0.121 0.000 0.795 329 A HN 0.483 nan 8.150 nan 0.000 0.460 330 L N -2.887 118.228 121.223 -0.179 0.000 2.642 330 L HA 0.290 4.629 4.340 -0.000 0.000 0.233 330 L C 1.582 178.482 176.870 0.050 0.000 1.077 330 L CA 0.549 55.258 54.840 -0.218 0.000 0.879 330 L CB 0.100 41.818 42.059 -0.568 0.000 1.151 330 L HN 0.524 nan 8.230 nan 0.000 0.495 331 G N 1.347 110.147 108.800 0.000 0.000 2.132 331 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.228 331 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.228 331 G C 0.172 175.101 174.900 0.050 0.000 1.000 331 G CA -0.217 44.915 45.100 0.054 0.000 0.693 331 G HN 0.153 nan 8.290 nan 0.000 0.515 332 L N -0.228 120.975 121.223 -0.033 0.000 2.482 332 L HA 0.399 4.738 4.340 -0.000 0.000 0.273 332 L C 1.015 177.883 176.870 -0.003 0.000 1.228 332 L CA 0.069 54.882 54.840 -0.044 0.000 0.827 332 L CB 0.320 42.239 42.059 -0.233 0.000 1.099 332 L HN 0.266 nan 8.230 nan 0.000 0.494 333 E N 1.530 121.753 120.200 0.037 0.000 2.242 333 E HA 0.173 4.523 4.350 -0.000 0.000 0.275 333 E C -1.685 174.939 176.600 0.038 0.000 1.002 333 E CA -1.603 54.827 56.400 0.050 0.000 0.841 333 E CB 1.216 30.967 29.700 0.084 0.000 1.109 333 E HN 0.320 nan 8.360 nan 0.000 0.394 334 P HA -0.246 nan 4.420 nan 0.000 0.219 334 P C 0.993 178.321 177.300 0.047 0.000 1.153 334 P CA 1.566 64.684 63.100 0.030 0.000 0.865 334 P CB 0.158 31.876 31.700 0.029 0.000 0.788 335 G N -1.581 107.262 108.800 0.071 0.000 2.813 335 G HA2 -0.113 3.846 3.960 -0.000 0.000 0.209 335 G HA3 -0.113 3.846 3.960 -0.000 0.000 0.209 335 G C 1.435 176.415 174.900 0.133 0.000 1.150 335 G CA 0.111 45.268 45.100 0.095 0.000 0.785 335 G HN 0.163 nan 8.290 nan 0.000 0.535 336 K N -0.053 120.425 120.400 0.130 0.000 2.103 336 K HA 0.106 4.426 4.320 -0.000 0.000 0.204 336 K C 1.295 177.997 176.600 0.169 0.000 1.052 336 K CA 0.529 56.930 56.287 0.191 0.000 0.945 336 K CB -0.084 32.478 32.500 0.104 0.000 0.722 336 K HN 0.265 nan 8.250 nan 0.000 0.443 337 L N -0.080 121.186 121.223 0.072 0.000 2.910 337 L HA 0.269 4.609 4.340 -0.000 0.000 0.252 337 L C 1.509 178.428 176.870 0.082 0.000 1.195 337 L CA 0.078 54.960 54.840 0.070 0.000 1.003 337 L CB -0.146 41.905 42.059 -0.012 0.000 1.328 337 L HN -0.065 nan 8.230 nan 0.000 0.540 338 A N 0.294 123.171 122.820 0.095 0.000 1.877 338 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 338 A C 2.514 180.157 177.584 0.098 0.000 1.186 338 A CA 1.839 53.927 52.037 0.084 0.000 0.620 338 A CB -0.541 18.510 19.000 0.085 0.000 0.822 338 A HN 0.366 nan 8.150 nan 0.000 0.443 339 A N -0.510 122.383 122.820 0.122 0.000 1.883 339 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 339 A C 2.459 180.124 177.584 0.135 0.000 1.186 339 A CA 2.257 54.371 52.037 0.128 0.000 0.624 339 A CB -1.008 18.073 19.000 0.135 0.000 0.822 339 A HN 0.476 nan 8.150 nan 0.000 0.444 340 S N -0.563 115.218 115.700 0.136 0.000 2.368 340 S HA -0.160 4.310 4.470 -0.000 0.000 0.225 340 S C 2.066 176.725 174.600 0.098 0.000 1.030 340 S CA 1.436 59.712 58.200 0.126 0.000 0.999 340 S CB -0.310 62.964 63.200 0.123 0.000 0.844 340 S HN 0.595 nan 8.310 nan 0.000 0.459 341 R N 0.738 121.285 120.500 0.079 0.000 2.092 341 R HA 0.029 4.369 4.340 -0.000 0.000 0.231 341 R C 2.505 178.845 176.300 0.065 0.000 1.119 341 R CA 1.105 57.239 56.100 0.056 0.000 0.970 341 R CB -0.234 30.089 30.300 0.039 0.000 0.864 341 R HN 0.135 nan 8.270 nan 0.000 0.440 342 R N 1.197 121.746 120.500 0.083 0.000 2.096 342 R HA -0.082 4.257 4.340 -0.000 0.000 0.235 342 R C 1.747 178.117 176.300 0.117 0.000 1.127 342 R CA 1.488 57.638 56.100 0.084 0.000 0.968 342 R CB -0.850 29.507 30.300 0.094 0.000 0.861 342 R HN 0.053 nan 8.270 nan 0.000 0.440 343 V N 0.924 120.945 119.914 0.179 0.000 2.453 343 V HA -0.140 3.980 4.120 -0.000 0.000 0.247 343 V C 2.397 178.624 176.094 0.222 0.000 1.048 343 V CA 1.644 64.122 62.300 0.297 0.000 1.049 343 V CB -0.532 31.473 31.823 0.303 0.000 0.672 343 V HN 0.356 nan 8.190 nan 0.000 0.457 344 L N -0.292 121.003 121.223 0.119 0.000 2.017 344 L HA -0.164 4.175 4.340 -0.000 0.000 0.208 344 L C 2.491 179.390 176.870 0.048 0.000 1.073 344 L CA 1.974 56.858 54.840 0.073 0.000 0.745 344 L CB -0.179 41.902 42.059 0.036 0.000 0.894 344 L HN 0.377 nan 8.230 nan 0.000 0.432 345 S N -0.427 115.287 115.700 0.023 0.000 2.387 345 S HA -0.137 4.332 4.470 -0.000 0.000 0.226 345 S C 1.321 175.878 174.600 -0.072 0.000 1.026 345 S CA 1.174 59.364 58.200 -0.018 0.000 0.972 345 S CB -0.186 63.004 63.200 -0.017 0.000 0.814 345 S HN 0.485 nan 8.310 nan 0.000 0.477 346 D N -0.571 119.758 120.400 -0.118 0.000 2.323 346 D HA 0.094 4.733 4.640 -0.000 0.000 0.209 346 D C 0.493 176.448 176.300 -0.575 0.000 0.973 346 D CA 0.809 54.585 54.000 -0.373 0.000 0.874 346 D CB 0.146 40.638 40.800 -0.513 0.000 0.930 346 D HN 0.483 nan 8.370 nan 0.000 0.521 347 Y N -1.221 119.115 120.300 0.060 0.000 2.459 347 Y HA 0.368 4.918 4.550 -0.000 0.000 0.271 347 Y C 1.294 177.197 175.900 0.007 0.000 1.063 347 Y CA 0.091 58.218 58.100 0.045 0.000 1.216 347 Y CB 0.751 39.150 38.460 -0.102 0.000 1.335 347 Y HN -0.057 nan 8.280 nan 0.000 0.550 348 G N 1.568 110.451 108.800 0.138 0.000 2.760 348 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.246 348 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.246 348 G C -0.722 174.254 174.900 0.127 0.000 1.359 348 G CA -0.473 44.700 45.100 0.121 0.000 0.861 348 G HN 0.243 nan 8.290 nan 0.000 0.541 349 N N 0.352 119.162 118.700 0.184 0.000 2.420 349 N HA 0.380 5.119 4.740 -0.000 0.000 0.262 349 N C 0.882 176.438 175.510 0.077 0.000 1.144 349 N CA 0.004 53.154 53.050 0.166 0.000 0.952 349 N CB 0.236 38.913 38.487 0.315 0.000 1.081 349 N HN 0.482 nan 8.380 nan 0.000 0.480 350 M N 2.348 121.956 119.600 0.014 0.000 2.869 350 M HA 0.127 4.607 4.480 -0.000 0.000 0.338 350 M C 0.551 176.814 176.300 -0.061 0.000 1.227 350 M CA -0.427 54.842 55.300 -0.052 0.000 0.946 350 M CB -0.087 32.415 32.600 -0.163 0.000 1.299 350 M HN 0.458 nan 8.290 nan 0.000 0.518 351 S N 0.867 116.507 115.700 -0.100 0.000 3.736 351 S HA -0.255 4.215 4.470 -0.000 0.000 0.627 351 S C 1.417 175.909 174.600 -0.181 0.000 2.426 351 S CA 1.355 59.448 58.200 -0.178 0.000 4.022 351 S CB -1.302 61.794 63.200 -0.173 0.000 0.237 351 S HN 0.795 nan 8.310 nan 0.000 0.967 352 G N 0.561 109.246 108.800 -0.191 0.000 2.527 352 G HA2 0.111 4.071 3.960 -0.000 0.000 0.219 352 G HA3 0.111 4.071 3.960 -0.000 0.000 0.219 352 G C 1.158 176.040 174.900 -0.029 0.000 1.117 352 G CA 1.425 46.436 45.100 -0.148 0.000 0.759 352 G HN 1.181 nan 8.290 nan 0.000 0.556 353 A N -0.102 122.735 122.820 0.028 0.000 2.147 353 A HA 0.204 4.524 4.320 -0.000 0.000 0.211 353 A C 2.435 180.193 177.584 0.290 0.000 1.160 353 A CA 1.696 53.827 52.037 0.158 0.000 0.781 353 A CB -0.269 18.850 19.000 0.199 0.000 0.842 353 A HN 0.242 nan 8.150 nan 0.000 0.475 354 T N -0.363 114.296 114.554 0.175 0.000 2.708 354 T HA -0.170 4.180 4.350 -0.000 0.000 0.266 354 T C 1.814 176.685 174.700 0.284 0.000 1.037 354 T CA 1.581 63.810 62.100 0.216 0.000 1.146 354 T CB -0.711 68.331 68.868 0.289 0.000 0.865 354 T HN 0.189 nan 8.240 nan 0.000 0.435 355 V N 1.224 121.297 119.914 0.265 0.000 2.568 355 V HA -0.106 4.014 4.120 -0.000 0.000 0.253 355 V C 2.087 178.259 176.094 0.131 0.000 1.072 355 V CA 1.423 63.843 62.300 0.199 0.000 1.084 355 V CB -0.584 31.331 31.823 0.153 0.000 0.676 355 V HN 0.526 nan 8.190 nan 0.000 0.469 356 I N -1.620 119.029 120.570 0.132 0.000 2.480 356 I HA -0.102 4.068 4.170 -0.000 0.000 0.251 356 I C 2.199 178.334 176.117 0.032 0.000 1.124 356 I CA 1.169 62.496 61.300 0.044 0.000 1.444 356 I CB -0.416 37.588 38.000 0.006 0.000 1.098 356 I HN 0.249 nan 8.210 nan 0.000 0.428 357 F N 1.501 121.432 119.950 -0.031 0.000 2.126 357 F HA -0.235 4.292 4.527 -0.000 0.000 0.299 357 F C 2.660 178.471 175.800 0.017 0.000 1.096 357 F CA 1.655 59.626 58.000 -0.048 0.000 1.255 357 F CB -0.679 38.260 39.000 -0.102 0.000 0.997 357 F HN 0.003 nan 8.300 nan 0.000 0.479 358 A N -0.308 122.651 122.820 0.232 0.000 1.933 358 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 358 A C 2.275 179.907 177.584 0.080 0.000 1.175 358 A CA 1.253 53.389 52.037 0.165 0.000 0.628 358 A CB -0.964 18.135 19.000 0.165 0.000 0.814 358 A HN 0.440 nan 8.150 nan 0.000 0.444 359 L N -0.573 120.658 121.223 0.014 0.000 2.027 359 L HA -0.175 4.165 4.340 -0.000 0.000 0.206 359 L C 2.275 179.109 176.870 -0.060 0.000 1.074 359 L CA 2.356 57.130 54.840 -0.111 0.000 0.745 359 L CB -0.403 41.543 42.059 -0.188 0.000 0.898 359 L HN 0.419 nan 8.230 nan 0.000 0.433 360 D N -0.143 120.239 120.400 -0.030 0.000 2.144 360 D HA -0.262 4.378 4.640 -0.000 0.000 0.199 360 D C 2.001 178.326 176.300 0.041 0.000 0.984 360 D CA 1.173 55.169 54.000 -0.008 0.000 0.834 360 D CB 0.172 40.913 40.800 -0.099 0.000 0.955 360 D HN 0.278 nan 8.370 nan 0.000 0.465 361 E N -0.414 119.829 120.200 0.071 0.000 2.268 361 E HA -0.090 4.260 4.350 -0.000 0.000 0.195 361 E C 1.890 178.546 176.600 0.093 0.000 0.995 361 E CA 0.370 56.835 56.400 0.109 0.000 0.836 361 E CB -0.410 29.389 29.700 0.165 0.000 0.763 361 E HN 0.287 nan 8.360 nan 0.000 0.491 362 L N 0.560 121.828 121.223 0.075 0.000 2.179 362 L HA 0.025 4.365 4.340 -0.000 0.000 0.208 362 L C 2.089 179.010 176.870 0.085 0.000 1.096 362 L CA 1.776 56.657 54.840 0.068 0.000 0.779 362 L CB -0.341 41.723 42.059 0.009 0.000 0.922 362 L HN 0.155 nan 8.230 nan 0.000 0.443 363 R N -1.347 119.229 120.500 0.127 0.000 2.173 363 R HA 0.078 4.418 4.340 -0.000 0.000 0.208 363 R C 2.022 178.359 176.300 0.062 0.000 1.035 363 R CA 0.821 57.000 56.100 0.131 0.000 1.004 363 R CB -0.730 29.698 30.300 0.215 0.000 0.917 363 R HN 0.143 nan 8.270 nan 0.000 0.462 364 R N 0.426 120.963 120.500 0.063 0.000 2.189 364 R HA -0.046 4.294 4.340 -0.000 0.000 0.218 364 R C 2.046 178.372 176.300 0.044 0.000 1.074 364 R CA 1.492 57.620 56.100 0.046 0.000 0.991 364 R CB -0.130 30.203 30.300 0.055 0.000 0.883 364 R HN 0.476 nan 8.270 nan 0.000 0.457 365 Q N 0.809 120.641 119.800 0.054 0.000 2.062 365 Q HA -0.070 4.270 4.340 -0.000 0.000 0.196 365 Q C 1.887 177.907 176.000 0.034 0.000 0.967 365 Q CA 1.033 56.866 55.803 0.050 0.000 0.832 365 Q CB 0.227 29.007 28.738 0.069 0.000 0.899 365 Q HN 0.172 nan 8.270 nan 0.000 0.442 366 R N 0.487 121.008 120.500 0.036 0.000 2.152 366 R HA -0.059 4.281 4.340 -0.000 0.000 0.232 366 R C 0.632 176.927 176.300 -0.008 0.000 1.117 366 R CA 0.676 56.788 56.100 0.020 0.000 0.981 366 R CB 0.002 30.326 30.300 0.041 0.000 0.870 366 R HN 0.075 nan 8.270 nan 0.000 0.451 376 P HA 0.060 nan 4.420 nan 0.000 0.269 376 P C 0.220 177.593 177.300 0.121 0.000 1.217 376 P CA 0.794 63.891 63.100 -0.006 0.000 0.783 376 P CB 0.729 32.476 31.700 0.077 0.000 0.898 377 E N -0.247 119.957 120.200 0.007 0.000 2.158 377 E HA 0.050 4.399 4.350 -0.000 0.000 0.191 377 E C 0.447 177.181 176.600 0.224 0.000 0.982 377 E CA 0.420 56.917 56.400 0.163 0.000 0.823 377 E CB 0.106 29.863 29.700 0.095 0.000 0.766 377 E HN 0.399 nan 8.360 nan 0.000 0.468 378 L N 0.293 121.465 121.223 -0.085 0.000 2.334 378 L HA 0.543 4.883 4.340 -0.000 0.000 0.275 378 L C 0.326 176.590 176.870 -1.010 0.000 1.036 378 L CA -0.629 53.988 54.840 -0.371 0.000 0.807 378 L CB 1.788 43.653 42.059 -0.324 0.000 1.231 378 L HN 0.007 nan 8.230 nan 0.000 0.438 379 G N 1.292 109.234 108.800 -1.429 0.000 2.623 379 G HA2 0.584 4.543 3.960 -0.000 0.000 0.290 379 G HA3 0.584 4.543 3.960 -0.000 0.000 0.290 379 G C -1.961 172.301 174.900 -1.063 0.000 1.437 379 G CA -0.365 43.580 45.100 -1.926 0.000 0.798 379 G HN 0.281 nan 8.290 nan 0.000 0.488 380 V N 0.861 120.208 119.914 -0.945 0.000 2.680 380 V HA 0.712 4.832 4.120 -0.000 0.000 0.309 380 V C -0.199 175.747 176.094 -0.247 0.000 1.052 380 V CA -0.636 61.303 62.300 -0.601 0.000 0.908 380 V CB 1.888 33.326 31.823 -0.641 0.000 1.001 380 V HN 0.805 nan 8.190 nan 0.000 0.431 381 M N 7.111 126.641 119.600 -0.117 0.000 2.134 381 M HA 0.743 5.223 4.480 -0.000 0.000 0.310 381 M C -0.989 175.330 176.300 0.031 0.000 0.966 381 M CA -0.400 54.900 55.300 -0.000 0.000 0.922 381 M CB 1.173 33.752 32.600 -0.035 0.000 1.537 381 M HN 0.894 nan 8.290 nan 0.000 0.424 382 M N 3.769 123.412 119.600 0.071 0.000 2.622 382 M HA 1.001 5.481 4.480 -0.000 0.000 0.276 382 M C -1.967 174.317 176.300 -0.027 0.000 1.265 382 M CA -0.757 54.537 55.300 -0.010 0.000 0.850 382 M CB 2.411 34.975 32.600 -0.059 0.000 1.720 382 M HN 0.573 nan 8.290 nan 0.000 0.465 383 A N 1.335 124.060 122.820 -0.157 0.000 2.549 383 A HA 0.878 5.198 4.320 -0.000 0.000 0.297 383 A C -1.997 175.455 177.584 -0.220 0.000 1.061 383 A CA -0.579 51.436 52.037 -0.036 0.000 0.690 383 A CB 1.331 20.349 19.000 0.029 0.000 1.287 383 A HN 0.754 nan 8.150 nan 0.000 0.402 384 F N 0.568 120.648 119.950 0.217 0.000 2.483 384 F HA 0.832 5.359 4.527 -0.000 0.000 0.329 384 F C 1.048 176.983 175.800 0.227 0.000 1.064 384 F CA 0.517 58.631 58.000 0.189 0.000 0.986 384 F CB 2.589 41.682 39.000 0.155 0.000 1.218 384 F HN 0.963 nan 8.300 nan 0.000 0.484 385 G N 0.397 109.467 108.800 0.449 0.000 2.489 385 G HA2 0.484 4.444 3.960 -0.000 0.000 0.305 385 G HA3 0.484 4.444 3.960 -0.000 0.000 0.305 385 G C -3.323 171.781 174.900 0.340 0.000 1.311 385 G CA -1.312 44.032 45.100 0.408 0.000 0.813 385 G HN 0.234 nan 8.290 nan 0.000 0.480 386 P HA 0.317 nan 4.420 nan 0.000 0.262 386 P C 0.742 178.139 177.300 0.160 0.000 1.182 386 P CA 1.799 65.017 63.100 0.197 0.000 0.761 386 P CB 1.125 32.920 31.700 0.160 0.000 0.795 387 G N 2.328 111.173 108.800 0.074 0.000 4.444 387 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.158 387 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.158 387 G C -0.177 174.726 174.900 0.005 0.000 1.789 387 G CA -0.389 44.721 45.100 0.017 0.000 0.886 387 G HN 0.393 nan 8.290 nan 0.000 0.284 388 M N 2.448 122.066 119.600 0.030 0.000 2.228 388 M HA 0.444 4.924 4.480 -0.000 0.000 0.351 388 M C -0.365 175.960 176.300 0.041 0.000 1.233 388 M CA 0.674 56.015 55.300 0.068 0.000 1.129 388 M CB 1.102 33.758 32.600 0.093 0.000 1.604 388 M HN 0.263 nan 8.290 nan 0.000 0.457 389 T N 2.373 116.948 114.554 0.034 0.000 2.888 389 T HA 0.613 4.962 4.350 -0.000 0.000 0.284 389 T C -0.601 174.051 174.700 -0.080 0.000 1.017 389 T CA -0.683 61.340 62.100 -0.129 0.000 1.022 389 T CB 1.855 70.436 68.868 -0.479 0.000 1.013 389 T HN 0.434 nan 8.240 nan 0.000 0.465 390 V N 2.460 122.267 119.914 -0.179 0.000 2.443 390 V HA 0.400 4.520 4.120 -0.000 0.000 0.293 390 V C -0.878 175.053 176.094 -0.272 0.000 1.021 390 V CA -0.865 61.276 62.300 -0.266 0.000 0.848 390 V CB 1.719 33.421 31.823 -0.203 0.000 0.998 390 V HN 0.854 nan 8.190 nan 0.000 0.424 391 D N 3.527 123.780 120.400 -0.245 0.000 2.256 391 D HA 0.808 5.448 4.640 -0.000 0.000 0.240 391 D C -0.150 176.104 176.300 -0.078 0.000 1.062 391 D CA 0.296 54.215 54.000 -0.134 0.000 0.832 391 D CB 1.853 42.636 40.800 -0.028 0.000 1.135 391 D HN 0.910 nan 8.370 nan 0.000 0.484 392 A N 2.698 125.527 122.820 0.015 0.000 2.587 392 A HA 0.832 5.152 4.320 -0.000 0.000 0.293 392 A C -1.268 176.497 177.584 0.302 0.000 1.087 392 A CA -0.709 51.416 52.037 0.147 0.000 0.692 392 A CB 1.352 20.505 19.000 0.256 0.000 1.291 392 A HN 0.533 nan 8.150 nan 0.000 0.407 393 M N 1.092 120.785 119.600 0.156 0.000 2.446 393 M HA 0.430 4.910 4.480 -0.000 0.000 0.294 393 M C -1.303 174.793 176.300 -0.340 0.000 1.158 393 M CA -0.630 54.686 55.300 0.026 0.000 0.899 393 M CB 2.228 34.828 32.600 0.000 0.000 1.687 393 M HN 0.618 nan 8.290 nan 0.000 0.455 394 L N 3.984 124.847 121.223 -0.601 0.000 2.265 394 L HA 0.613 4.953 4.340 -0.000 0.000 0.288 394 L C -1.496 175.190 176.870 -0.306 0.000 1.058 394 L CA 0.075 54.490 54.840 -0.707 0.000 0.809 394 L CB 0.475 42.030 42.059 -0.840 0.000 1.179 394 L HN 0.636 nan 8.230 nan 0.000 0.429 395 L N 4.781 125.861 121.223 -0.237 0.000 2.332 395 L HA 0.522 4.862 4.340 -0.000 0.000 0.269 395 L C -0.571 176.399 176.870 0.166 0.000 1.016 395 L CA -0.843 54.020 54.840 0.039 0.000 0.809 395 L CB 1.639 43.823 42.059 0.208 0.000 1.280 395 L HN 0.640 nan 8.230 nan 0.000 0.447 396 H N 1.007 120.194 119.070 0.195 0.000 2.727 396 H HA 0.532 5.088 4.556 -0.000 0.000 0.330 396 H C -0.874 174.607 175.328 0.255 0.000 0.986 396 H CA -0.882 55.270 56.048 0.174 0.000 1.251 396 H CB 1.720 31.514 29.762 0.052 0.000 1.493 396 H HN 0.759 nan 8.280 nan 0.000 0.515 397 A N 4.070 127.072 122.820 0.304 0.000 2.401 397 A HA 0.258 4.578 4.320 -0.000 0.000 0.259 397 A C 0.717 178.058 177.584 -0.405 0.000 1.103 397 A CA -0.112 51.868 52.037 -0.094 0.000 0.789 397 A CB 0.170 19.187 19.000 0.028 0.000 1.035 397 A HN 0.787 nan 8.150 nan 0.000 0.491 398 T N 0.695 114.989 114.554 -0.433 0.000 2.882 398 T HA 0.510 4.860 4.350 -0.000 0.000 0.287 398 T C 0.692 175.266 174.700 -0.210 0.000 1.014 398 T CA -0.013 61.879 62.100 -0.346 0.000 1.049 398 T CB 0.628 69.333 68.868 -0.273 0.000 1.001 398 T HN 1.157 nan 8.240 nan 0.000 0.525 399 S N 0.000 115.619 115.700 -0.136 0.000 2.498 399 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 399 S CA 0.000 58.166 58.200 -0.057 0.000 1.107 399 S CB 0.000 63.182 63.200 -0.030 0.000 0.593 399 S HN 0.000 nan 8.310 nan 0.000 0.517