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 3cmn_1_A DATA FIRST_RESID 43 DATA SEQUENCE LIDWEQARQA ALRLSQWEQA PVDNRAFRRE QYARMVALSE PLIADYLGVR DATA SEQUENCE LPEPVSRIFV FDRREWLEAN IVSFSQLFRP IEEMYEKXXX XXXXXXXXXX DATA SEQUENCE XXSSKLLGVQ IGGLLGYLAQ RVLGQYDLSL LSAXXXGGSL YFVEPNIARV DATA SEQUENCE QQQLGLSDED FRLWITLHEM THAFEFEAYP WVRTYFRELL EQNFALXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXTPEQRAV FDRIQALMSL DATA SEQUENCE IEGYGNHVMN AVGRRLLPSF NQIEQQIAQR QRQRTMLDQM VFRLTGLDLK DATA SEQUENCE LAQYQQGEAF VNAVVAARGI QFASRVWERP ENLPSMDEIR NPGQWIVRMD DATA SEQUENCE REG 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 43 L HA 0.000 nan 4.340 nan 0.000 0.249 43 L C 0.000 176.711 176.870 -0.264 0.000 1.165 43 L CA 0.000 54.701 54.840 -0.231 0.000 0.813 43 L CB 0.000 41.809 42.059 -0.417 0.000 0.961 44 I N 1.319 121.734 120.570 -0.259 0.000 2.545 44 I HA 0.370 4.547 4.170 0.011 0.000 0.292 44 I C -0.989 174.831 176.117 -0.495 0.000 1.040 44 I CA -0.650 60.347 61.300 -0.505 0.000 1.068 44 I CB 1.749 39.203 38.000 -0.910 0.000 1.251 44 I HN -0.007 nan 8.210 nan 0.000 0.424 45 D N 5.331 125.470 120.400 -0.434 0.000 2.422 45 D HA 0.084 4.731 4.640 0.011 0.000 0.227 45 D C 0.412 176.514 176.300 -0.331 0.000 1.190 45 D CA -0.145 53.697 54.000 -0.264 0.000 0.905 45 D CB 0.458 41.158 40.800 -0.166 0.000 1.034 45 D HN 0.417 nan 8.370 nan 0.000 0.507 46 W N 2.230 123.489 121.300 -0.069 0.000 2.611 46 W HA 0.011 4.677 4.660 0.010 0.000 0.251 46 W C 1.970 178.459 176.519 -0.051 0.000 1.265 46 W CA -0.022 57.284 57.345 -0.065 0.000 1.295 46 W CB 0.353 29.779 29.460 -0.057 0.000 1.129 46 W HN 0.479 nan 8.180 nan 0.000 0.630 47 E N -0.482 119.787 120.200 0.114 0.000 2.318 47 E HA -0.180 4.176 4.350 0.011 0.000 0.193 47 E C 1.994 178.607 176.600 0.021 0.000 0.998 47 E CA 0.564 57.004 56.400 0.066 0.000 0.859 47 E CB 0.127 29.852 29.700 0.042 0.000 0.812 47 E HN 0.099 nan 8.360 nan 0.000 0.492 48 Q N 0.708 120.495 119.800 -0.023 0.000 2.137 48 Q HA -0.001 4.346 4.340 0.011 0.000 0.198 48 Q C 1.857 177.830 176.000 -0.045 0.000 0.960 48 Q CA 1.628 57.404 55.803 -0.045 0.000 0.847 48 Q CB -0.220 28.467 28.738 -0.086 0.000 0.915 48 Q HN 0.181 nan 8.270 nan 0.000 0.448 49 A N 1.100 123.876 122.820 -0.073 0.000 1.877 49 A HA -0.210 4.116 4.320 0.011 0.000 0.216 49 A C 2.216 179.830 177.584 0.049 0.000 1.186 49 A CA 1.706 53.715 52.037 -0.048 0.000 0.620 49 A CB -0.758 18.172 19.000 -0.118 0.000 0.822 49 A HN 0.463 nan 8.150 nan 0.000 0.443 50 R N -1.054 119.501 120.500 0.090 0.000 2.083 50 R HA -0.199 4.148 4.340 0.011 0.000 0.237 50 R C 2.266 178.587 176.300 0.035 0.000 1.137 50 R CA 1.820 57.958 56.100 0.062 0.000 0.951 50 R CB -0.298 30.032 30.300 0.050 0.000 0.851 50 R HN 0.475 nan 8.270 nan 0.000 0.434 51 Q N 0.057 119.876 119.800 0.030 0.000 2.084 51 Q HA -0.096 4.251 4.340 0.011 0.000 0.202 51 Q C 2.086 178.112 176.000 0.044 0.000 0.978 51 Q CA 1.773 57.597 55.803 0.035 0.000 0.844 51 Q CB -0.370 28.382 28.738 0.024 0.000 0.898 51 Q HN 0.485 nan 8.270 nan 0.000 0.426 52 A N 0.881 123.718 122.820 0.028 0.000 1.902 52 A HA -0.110 4.217 4.320 0.011 0.000 0.217 52 A C 2.305 179.921 177.584 0.054 0.000 1.181 52 A CA 2.011 54.066 52.037 0.030 0.000 0.623 52 A CB -0.672 18.332 19.000 0.006 0.000 0.818 52 A HN 0.370 nan 8.150 nan 0.000 0.443 53 A N -0.256 122.596 122.820 0.053 0.000 1.873 53 A HA -0.027 4.299 4.320 0.011 0.000 0.215 53 A C 2.171 179.817 177.584 0.102 0.000 1.186 53 A CA 1.454 53.531 52.037 0.067 0.000 0.616 53 A CB -0.670 18.351 19.000 0.034 0.000 0.823 53 A HN 0.460 nan 8.150 nan 0.000 0.442 54 L N -0.904 120.380 121.223 0.101 0.000 2.042 54 L HA -0.232 4.115 4.340 0.011 0.000 0.210 54 L C 2.927 179.958 176.870 0.268 0.000 1.076 54 L CA 1.555 56.504 54.840 0.183 0.000 0.749 54 L CB -0.439 41.707 42.059 0.145 0.000 0.893 54 L HN 0.379 nan 8.230 nan 0.000 0.432 55 R N -0.432 120.164 120.500 0.159 0.000 2.075 55 R HA -0.078 4.269 4.340 0.011 0.000 0.226 55 R C 2.241 178.591 176.300 0.084 0.000 1.114 55 R CA 0.949 57.114 56.100 0.108 0.000 0.972 55 R CB -0.346 29.994 30.300 0.066 0.000 0.869 55 R HN 0.320 nan 8.270 nan 0.000 0.437 56 L N 1.513 122.791 121.223 0.092 0.000 2.291 56 L HA -0.111 4.235 4.340 0.011 0.000 0.214 56 L C 2.360 179.290 176.870 0.100 0.000 1.120 56 L CA 1.041 55.935 54.840 0.090 0.000 0.799 56 L CB -0.139 41.982 42.059 0.103 0.000 0.925 56 L HN 0.219 nan 8.230 nan 0.000 0.446 57 S N -0.803 114.974 115.700 0.128 0.000 2.447 57 S HA -0.213 4.263 4.470 0.011 0.000 0.233 57 S C 1.003 175.670 174.600 0.111 0.000 1.006 57 S CA 0.570 58.849 58.200 0.131 0.000 0.957 57 S CB -0.284 63.036 63.200 0.199 0.000 0.773 57 S HN 0.631 nan 8.310 nan 0.000 0.507 58 Q N 0.347 120.194 119.800 0.077 0.000 2.453 58 Q HA -0.164 4.182 4.340 0.011 0.000 0.294 58 Q C 0.592 176.564 176.000 -0.046 0.000 1.295 58 Q CA 0.764 56.541 55.803 -0.042 0.000 0.853 58 Q CB -2.346 26.373 28.738 -0.031 0.000 1.193 58 Q HN 0.979 nan 8.270 nan 0.000 0.461 59 W N -0.227 121.075 121.300 0.004 0.000 2.342 59 W HA -0.203 4.464 4.660 0.010 0.000 0.297 59 W C 0.822 177.343 176.519 0.003 0.000 1.213 59 W CA 1.483 58.830 57.345 0.004 0.000 1.251 59 W CB -0.584 28.876 29.460 0.001 0.000 1.136 59 W HN 0.219 nan 8.180 nan 0.000 0.526 60 E N 0.956 120.636 120.200 -0.866 0.000 2.209 60 E HA -0.211 4.145 4.350 0.011 0.000 0.196 60 E C 2.152 178.587 176.600 -0.276 0.000 0.993 60 E CA 1.800 57.743 56.400 -0.761 0.000 0.819 60 E CB -0.620 28.511 29.700 -0.948 0.000 0.745 60 E HN 0.464 nan 8.360 nan 0.000 0.477 61 Q N -0.766 118.918 119.800 -0.193 0.000 2.451 61 Q HA 0.205 4.551 4.340 0.011 0.000 0.206 61 Q C 0.111 176.096 176.000 -0.025 0.000 0.947 61 Q CA 0.621 56.369 55.803 -0.093 0.000 0.937 61 Q CB 0.635 29.325 28.738 -0.079 0.000 1.025 61 Q HN 0.163 nan 8.270 nan 0.000 0.511 62 A N 2.227 125.057 122.820 0.017 0.000 3.253 62 A HA 0.306 4.633 4.320 0.011 0.000 0.290 62 A C -2.486 175.158 177.584 0.101 0.000 0.950 62 A CA -1.156 50.915 52.037 0.057 0.000 0.986 62 A CB 0.248 19.285 19.000 0.062 0.000 1.104 62 A HN -0.018 nan 8.150 nan 0.000 0.481 63 P HA 0.243 nan 4.420 nan 0.000 0.272 63 P C 0.400 177.756 177.300 0.093 0.000 1.230 63 P CA 0.160 63.333 63.100 0.120 0.000 0.788 63 P CB 1.454 33.212 31.700 0.096 0.000 0.949 64 V N 0.326 120.298 119.914 0.097 0.000 2.583 64 V HA 0.300 4.426 4.120 0.011 0.000 0.287 64 V C -0.259 175.850 176.094 0.024 0.000 1.051 64 V CA -0.196 62.149 62.300 0.074 0.000 1.010 64 V CB 0.288 32.170 31.823 0.098 0.000 0.988 64 V HN 0.365 nan 8.190 nan 0.000 0.478 65 D N 4.253 124.646 120.400 -0.011 0.000 2.175 65 D HA 0.301 4.947 4.640 0.011 0.000 0.248 65 D C 0.053 176.230 176.300 -0.206 0.000 1.047 65 D CA 0.026 53.987 54.000 -0.064 0.000 0.883 65 D CB 0.886 41.667 40.800 -0.033 0.000 1.180 65 D HN 0.794 nan 8.370 nan 0.000 0.438 66 N N 1.714 120.260 118.700 -0.257 0.000 2.642 66 N HA -0.233 4.514 4.740 0.011 0.000 0.269 66 N C 1.057 176.278 175.510 -0.482 0.000 1.073 66 N CA 0.316 53.067 53.050 -0.499 0.000 0.748 66 N CB -0.447 37.340 38.487 -1.165 0.000 0.894 66 N HN 0.551 nan 8.380 nan 0.000 0.548 67 R N 0.829 121.212 120.500 -0.195 0.000 2.081 67 R HA -0.107 4.240 4.340 0.011 0.000 0.235 67 R C 2.102 178.363 176.300 -0.065 0.000 1.131 67 R CA 1.746 57.800 56.100 -0.076 0.000 0.960 67 R CB -0.134 30.174 30.300 0.014 0.000 0.856 67 R HN 0.481 nan 8.270 nan 0.000 0.436 68 A N 1.250 124.030 122.820 -0.065 0.000 1.859 68 A HA -0.227 4.099 4.320 0.011 0.000 0.217 68 A C 1.961 179.589 177.584 0.073 0.000 1.198 68 A CA 1.853 53.898 52.037 0.013 0.000 0.629 68 A CB -0.983 18.038 19.000 0.035 0.000 0.830 68 A HN 0.620 nan 8.150 nan 0.000 0.446 69 F N -0.798 119.164 119.950 0.021 0.000 2.407 69 F HA 0.128 4.661 4.527 0.011 0.000 0.299 69 F C 1.886 177.667 175.800 -0.032 0.000 1.097 69 F CA 0.768 58.764 58.000 -0.006 0.000 1.422 69 F CB -0.477 38.515 39.000 -0.013 0.000 1.067 69 F HN -0.034 nan 8.300 nan 0.000 0.539 70 R N 1.387 121.931 120.500 0.073 0.000 2.090 70 R HA 0.017 4.364 4.340 0.011 0.000 0.228 70 R C 2.263 178.620 176.300 0.095 0.000 1.110 70 R CA 1.163 57.300 56.100 0.062 0.000 0.973 70 R CB -0.694 29.609 30.300 0.005 0.000 0.869 70 R HN 0.402 nan 8.270 nan 0.000 0.440 71 R N 0.573 121.152 120.500 0.131 0.000 2.081 71 R HA -0.087 4.259 4.340 0.011 0.000 0.235 71 R C 2.035 178.395 176.300 0.099 0.000 1.131 71 R CA 0.953 57.142 56.100 0.149 0.000 0.960 71 R CB -0.131 30.236 30.300 0.111 0.000 0.856 71 R HN 0.234 nan 8.270 nan 0.000 0.436 72 E N 1.061 121.312 120.200 0.085 0.000 2.038 72 E HA -0.260 4.097 4.350 0.011 0.000 0.195 72 E C 2.010 178.613 176.600 0.004 0.000 1.000 72 E CA 1.210 57.642 56.400 0.053 0.000 0.803 72 E CB -0.189 29.555 29.700 0.072 0.000 0.750 72 E HN 0.411 nan 8.360 nan 0.000 0.448 73 Q N -0.050 119.727 119.800 -0.038 0.000 2.014 73 Q HA -0.209 4.138 4.340 0.011 0.000 0.207 73 Q C 2.171 178.045 176.000 -0.209 0.000 0.993 73 Q CA 1.685 57.391 55.803 -0.162 0.000 0.850 73 Q CB -0.257 28.321 28.738 -0.267 0.000 0.916 73 Q HN 0.362 nan 8.270 nan 0.000 0.417 74 Y N -0.125 120.082 120.300 -0.155 0.000 2.181 74 Y HA -0.243 4.314 4.550 0.011 0.000 0.288 74 Y C 2.465 178.277 175.900 -0.146 0.000 1.146 74 Y CA 0.654 58.574 58.100 -0.300 0.000 1.164 74 Y CB -0.311 37.836 38.460 -0.522 0.000 0.982 74 Y HN 0.327 nan 8.280 nan 0.000 0.515 75 A N 1.198 124.063 122.820 0.075 0.000 1.883 75 A HA -0.285 4.042 4.320 0.011 0.000 0.217 75 A C 2.216 179.817 177.584 0.029 0.000 1.186 75 A CA 2.334 54.401 52.037 0.049 0.000 0.624 75 A CB -0.749 18.272 19.000 0.036 0.000 0.822 75 A HN 0.610 nan 8.150 nan 0.000 0.444 76 R N -0.953 119.552 120.500 0.007 0.000 2.115 76 R HA 0.107 4.453 4.340 0.011 0.000 0.226 76 R C 1.942 178.243 176.300 0.002 0.000 1.100 76 R CA 1.529 57.630 56.100 0.000 0.000 0.980 76 R CB -0.495 29.797 30.300 -0.014 0.000 0.875 76 R HN 0.459 nan 8.270 nan 0.000 0.445 77 M N 1.679 121.275 119.600 -0.007 0.000 2.296 77 M HA -0.075 4.412 4.480 0.011 0.000 0.265 77 M C 2.231 178.557 176.300 0.043 0.000 1.064 77 M CA 1.567 56.869 55.300 0.004 0.000 1.109 77 M CB -0.049 32.538 32.600 -0.020 0.000 1.396 77 M HN 0.244 nan 8.290 nan 0.000 0.430 78 V N -2.499 117.455 119.914 0.067 0.000 2.649 78 V HA 0.076 4.202 4.120 0.011 0.000 0.248 78 V C 2.372 178.505 176.094 0.064 0.000 1.054 78 V CA 1.297 63.653 62.300 0.092 0.000 1.073 78 V CB -1.442 30.454 31.823 0.122 0.000 0.699 78 V HN 0.315 nan 8.190 nan 0.000 0.463 79 A N 0.711 123.558 122.820 0.044 0.000 1.972 79 A HA -0.106 4.221 4.320 0.011 0.000 0.219 79 A C 2.163 179.765 177.584 0.031 0.000 1.169 79 A CA 2.253 54.310 52.037 0.033 0.000 0.635 79 A CB -0.569 18.443 19.000 0.021 0.000 0.810 79 A HN 0.620 nan 8.150 nan 0.000 0.446 80 L N -0.853 120.385 121.223 0.025 0.000 2.049 80 L HA 0.005 4.351 4.340 0.011 0.000 0.203 80 L C 2.539 179.419 176.870 0.018 0.000 1.074 80 L CA 2.290 57.140 54.840 0.017 0.000 0.749 80 L CB -0.617 41.447 42.059 0.009 0.000 0.907 80 L HN 0.244 nan 8.230 nan 0.000 0.439 81 S N -0.256 115.460 115.700 0.026 0.000 2.359 81 S HA -0.299 4.178 4.470 0.011 0.000 0.222 81 S C 1.864 176.474 174.600 0.017 0.000 1.038 81 S CA 1.792 60.002 58.200 0.018 0.000 1.051 81 S CB -0.434 62.792 63.200 0.043 0.000 0.944 81 S HN 0.554 nan 8.310 nan 0.000 0.433 82 E N 0.785 121.035 120.200 0.084 0.000 2.065 82 E HA -0.186 4.171 4.350 0.011 0.000 0.201 82 E C -0.837 175.832 176.600 0.116 0.000 1.016 82 E CA 1.728 58.235 56.400 0.178 0.000 0.818 82 E CB -0.704 29.110 29.700 0.190 0.000 0.749 82 E HN 0.367 nan 8.360 nan 0.000 0.453 83 P HA -0.158 nan 4.420 nan 0.000 0.215 83 P C 1.288 178.589 177.300 0.002 0.000 1.157 83 P CA 0.984 64.112 63.100 0.047 0.000 0.868 83 P CB 0.009 31.729 31.700 0.034 0.000 0.788 84 L N -1.283 119.926 121.223 -0.024 0.000 2.079 84 L HA -0.159 4.188 4.340 0.011 0.000 0.210 84 L C 2.330 179.150 176.870 -0.083 0.000 1.081 84 L CA 1.732 56.546 54.840 -0.043 0.000 0.752 84 L CB -1.172 40.854 42.059 -0.055 0.000 0.896 84 L HN -0.032 nan 8.230 nan 0.000 0.433 85 I N -1.543 118.903 120.570 -0.207 0.000 2.333 85 I HA -0.194 3.982 4.170 0.011 0.000 0.246 85 I C 2.538 178.353 176.117 -0.504 0.000 1.106 85 I CA 0.869 61.910 61.300 -0.432 0.000 1.411 85 I CB -0.510 37.003 38.000 -0.811 0.000 1.082 85 I HN 0.179 nan 8.210 nan 0.000 0.420 86 A N 0.766 123.367 122.820 -0.364 0.000 1.908 86 A HA -0.326 4.001 4.320 0.011 0.000 0.218 86 A C 1.975 179.576 177.584 0.029 0.000 1.181 86 A CA 2.556 54.605 52.037 0.020 0.000 0.627 86 A CB -0.788 18.351 19.000 0.232 0.000 0.818 86 A HN 0.482 nan 8.150 nan 0.000 0.445 87 D N -2.324 118.090 120.400 0.024 0.000 2.097 87 D HA -0.192 4.454 4.640 0.011 0.000 0.197 87 D C 1.772 178.123 176.300 0.085 0.000 0.984 87 D CA 1.355 55.388 54.000 0.054 0.000 0.826 87 D CB -0.274 40.558 40.800 0.054 0.000 0.973 87 D HN 0.462 nan 8.370 nan 0.000 0.460 88 Y N 0.471 120.747 120.300 -0.040 0.000 2.293 88 Y HA 0.032 4.588 4.550 0.011 0.000 0.291 88 Y C 1.535 177.463 175.900 0.047 0.000 1.137 88 Y CA 1.295 59.393 58.100 -0.005 0.000 1.202 88 Y CB 0.007 38.449 38.460 -0.032 0.000 0.990 88 Y HN 0.073 nan 8.280 nan 0.000 0.537 89 L N -1.246 119.951 121.223 -0.043 0.000 2.554 89 L HA 0.264 4.611 4.340 0.011 0.000 0.225 89 L C 1.705 178.591 176.870 0.026 0.000 1.104 89 L CA 0.539 55.358 54.840 -0.035 0.000 0.866 89 L CB -0.369 41.699 42.059 0.015 0.000 1.047 89 L HN 0.325 nan 8.230 nan 0.000 0.468 90 G N 1.511 110.328 108.800 0.029 0.000 2.179 90 G HA2 -0.248 3.719 3.960 0.011 0.000 0.257 90 G HA3 -0.248 3.719 3.960 0.011 0.000 0.257 90 G C 0.132 175.070 174.900 0.063 0.000 1.010 90 G CA 0.486 45.616 45.100 0.049 0.000 0.736 90 G HN 0.313 nan 8.290 nan 0.000 0.513 91 V N -4.691 115.271 119.914 0.079 0.000 3.114 91 V HA 0.930 5.057 4.120 0.011 0.000 0.308 91 V C -0.064 176.094 176.094 0.107 0.000 1.168 91 V CA -1.795 60.527 62.300 0.037 0.000 1.015 91 V CB 1.777 33.551 31.823 -0.083 0.000 1.050 91 V HN 0.356 nan 8.190 nan 0.000 0.433 92 R N 0.996 121.479 120.500 -0.028 0.000 2.902 92 R HA 0.748 5.094 4.340 0.011 0.000 0.258 92 R C -1.142 174.950 176.300 -0.347 0.000 1.071 92 R CA -1.010 55.046 56.100 -0.073 0.000 1.024 92 R CB 2.058 32.332 30.300 -0.043 0.000 1.184 92 R HN 0.671 nan 8.270 nan 0.000 0.492 93 L N 1.920 122.862 121.223 -0.468 0.000 2.371 93 L HA 0.232 4.578 4.340 0.011 0.000 0.272 93 L C -1.456 175.241 176.870 -0.288 0.000 1.124 93 L CA -1.650 52.873 54.840 -0.529 0.000 0.816 93 L CB 1.092 42.818 42.059 -0.555 0.000 1.129 93 L HN 0.358 nan 8.230 nan 0.000 0.448 94 P HA -0.097 nan 4.420 nan 0.000 0.220 94 P C -0.229 176.999 177.300 -0.120 0.000 1.148 94 P CA 1.122 64.130 63.100 -0.154 0.000 0.803 94 P CB 0.303 31.922 31.700 -0.134 0.000 0.782 95 E N -0.662 119.456 120.200 -0.137 0.000 2.283 95 E HA 0.279 4.635 4.350 0.011 0.000 0.258 95 E C -2.682 173.853 176.600 -0.109 0.000 0.893 95 E CA -2.686 53.656 56.400 -0.098 0.000 0.798 95 E CB 1.412 31.068 29.700 -0.073 0.000 1.242 95 E HN -0.091 nan 8.360 nan 0.000 0.414 96 P HA -0.034 nan 4.420 nan 0.000 0.267 96 P C -0.667 176.600 177.300 -0.055 0.000 1.200 96 P CA -0.296 62.763 63.100 -0.068 0.000 0.772 96 P CB 0.588 32.265 31.700 -0.038 0.000 0.855 97 V N 2.830 122.719 119.914 -0.042 0.000 2.377 97 V HA -0.014 4.113 4.120 0.011 0.000 0.254 97 V C 1.419 177.490 176.094 -0.038 0.000 1.060 97 V CA 1.038 63.315 62.300 -0.038 0.000 1.068 97 V CB -0.618 31.197 31.823 -0.012 0.000 1.113 97 V HN 0.711 nan 8.190 nan 0.000 0.484 98 S N 4.535 120.204 115.700 -0.051 0.000 2.556 98 S HA 0.311 4.787 4.470 0.011 0.000 0.216 98 S C 0.631 175.180 174.600 -0.085 0.000 0.970 98 S CA -0.377 57.793 58.200 -0.049 0.000 0.912 98 S CB 0.350 63.531 63.200 -0.032 0.000 0.790 98 S HN 0.671 nan 8.310 nan 0.000 0.504 99 R N 0.516 120.924 120.500 -0.153 0.000 2.725 99 R HA 0.691 5.038 4.340 0.011 0.000 0.277 99 R C -1.705 174.312 176.300 -0.472 0.000 0.987 99 R CA -0.839 55.073 56.100 -0.313 0.000 0.901 99 R CB 1.875 31.948 30.300 -0.378 0.000 1.207 99 R HN 0.371 nan 8.270 nan 0.000 0.463 100 I N -1.519 118.712 120.570 -0.566 0.000 2.619 100 I HA 0.569 4.745 4.170 0.011 0.000 0.292 100 I C -1.202 174.591 176.117 -0.540 0.000 1.100 100 I CA -0.732 60.302 61.300 -0.443 0.000 1.043 100 I CB 1.586 39.572 38.000 -0.024 0.000 1.239 100 I HN 0.363 nan 8.210 nan 0.000 0.420 101 F N 4.287 124.226 119.950 -0.018 0.000 2.507 101 F HA 0.720 5.253 4.527 0.011 0.000 0.325 101 F C -0.180 175.550 175.800 -0.116 0.000 1.116 101 F CA -1.346 56.604 58.000 -0.083 0.000 0.930 101 F CB 2.198 41.039 39.000 -0.265 0.000 1.146 101 F HN 0.206 nan 8.300 nan 0.000 0.447 102 V N 4.499 124.557 119.914 0.239 0.000 2.333 102 V HA 0.307 4.434 4.120 0.011 0.000 0.274 102 V C -0.163 176.155 176.094 0.374 0.000 1.028 102 V CA -0.597 61.847 62.300 0.241 0.000 0.851 102 V CB 0.327 32.304 31.823 0.257 0.000 1.000 102 V HN 0.638 nan 8.190 nan 0.000 0.456 103 F N 3.810 123.870 119.950 0.183 0.000 2.440 103 F HA 0.498 5.031 4.527 0.011 0.000 0.328 103 F C 0.653 176.514 175.800 0.101 0.000 1.070 103 F CA -1.059 56.998 58.000 0.096 0.000 1.011 103 F CB 2.016 41.037 39.000 0.035 0.000 1.226 103 F HN 0.572 nan 8.300 nan 0.000 0.491 104 D N 0.999 121.548 120.400 0.248 0.000 2.569 104 D HA 0.266 4.913 4.640 0.011 0.000 0.266 104 D C 0.506 176.898 176.300 0.153 0.000 1.164 104 D CA -0.594 53.512 54.000 0.177 0.000 1.071 104 D CB 1.064 41.952 40.800 0.147 0.000 1.183 104 D HN 0.490 nan 8.370 nan 0.000 0.613 105 R N -0.660 119.935 120.500 0.159 0.000 2.115 105 R HA -0.057 4.289 4.340 0.011 0.000 0.230 105 R C 2.474 178.833 176.300 0.099 0.000 1.111 105 R CA 0.951 57.149 56.100 0.163 0.000 0.976 105 R CB -0.151 30.255 30.300 0.175 0.000 0.870 105 R HN 0.447 nan 8.270 nan 0.000 0.445 106 R N 1.493 121.961 120.500 -0.052 0.000 2.075 106 R HA -0.134 4.212 4.340 0.011 0.000 0.232 106 R C 1.635 177.695 176.300 -0.400 0.000 1.126 106 R CA 1.590 57.451 56.100 -0.398 0.000 0.963 106 R CB 0.067 29.781 30.300 -0.977 0.000 0.858 106 R HN 0.263 nan 8.270 nan 0.000 0.435 107 E N -0.732 119.226 120.200 -0.403 0.000 2.106 107 E HA -0.234 4.123 4.350 0.011 0.000 0.192 107 E C 1.535 177.587 176.600 -0.913 0.000 0.984 107 E CA 1.230 57.217 56.400 -0.689 0.000 0.806 107 E CB -0.242 29.011 29.700 -0.744 0.000 0.750 107 E HN 0.456 nan 8.360 nan 0.000 0.458 108 W N 1.564 122.457 121.300 -0.679 0.000 2.358 108 W HA -0.165 4.501 4.660 0.010 0.000 0.303 108 W C 1.675 177.954 176.519 -0.400 0.000 1.208 108 W CA 1.311 58.362 57.345 -0.490 0.000 1.274 108 W CB -0.210 29.164 29.460 -0.144 0.000 1.138 108 W HN -0.038 nan 8.180 nan 0.000 0.515 109 L N 0.319 121.374 121.223 -0.280 0.000 2.027 109 L HA -0.212 4.135 4.340 0.011 0.000 0.206 109 L C 2.674 179.266 176.870 -0.465 0.000 1.074 109 L CA 1.478 56.090 54.840 -0.380 0.000 0.745 109 L CB -0.925 41.051 42.059 -0.137 0.000 0.898 109 L HN -0.097 nan 8.230 nan 0.000 0.433 110 E N 0.185 120.119 120.200 -0.444 0.000 2.160 110 E HA -0.213 4.144 4.350 0.011 0.000 0.195 110 E C 2.104 178.440 176.600 -0.440 0.000 0.991 110 E CA 1.430 57.586 56.400 -0.407 0.000 0.810 110 E CB -0.176 29.278 29.700 -0.411 0.000 0.742 110 E HN 0.489 nan 8.360 nan 0.000 0.466 111 A N 0.674 123.146 122.820 -0.581 0.000 2.123 111 A HA 0.004 4.330 4.320 0.011 0.000 0.214 111 A C 1.694 178.991 177.584 -0.478 0.000 1.152 111 A CA 0.533 52.253 52.037 -0.529 0.000 0.728 111 A CB 0.089 18.706 19.000 -0.639 0.000 0.814 111 A HN 0.084 nan 8.150 nan 0.000 0.464 112 N N -1.079 117.254 118.700 -0.610 0.000 2.210 112 N HA 0.132 4.879 4.740 0.011 0.000 0.203 112 N C 1.393 176.679 175.510 -0.373 0.000 1.175 112 N CA 0.147 52.861 53.050 -0.560 0.000 0.894 112 N CB 0.390 38.275 38.487 -1.004 0.000 1.041 112 N HN 0.508 nan 8.380 nan 0.000 0.506 113 I N 1.078 121.437 120.570 -0.352 0.000 2.286 113 I HA -0.214 3.962 4.170 0.011 0.000 0.248 113 I C 1.762 177.771 176.117 -0.181 0.000 1.115 113 I CA 0.932 62.107 61.300 -0.209 0.000 1.392 113 I CB 0.223 38.116 38.000 -0.179 0.000 1.065 113 I HN -0.189 nan 8.210 nan 0.000 0.418 114 V N 0.374 120.156 119.914 -0.219 0.000 2.307 114 V HA -0.245 3.882 4.120 0.011 0.000 0.245 114 V C 2.516 178.480 176.094 -0.216 0.000 1.045 114 V CA 2.146 64.301 62.300 -0.242 0.000 1.024 114 V CB -0.676 31.025 31.823 -0.203 0.000 0.651 114 V HN 0.436 nan 8.190 nan 0.000 0.449 115 S N -0.090 115.513 115.700 -0.162 0.000 2.383 115 S HA -0.217 4.260 4.470 0.011 0.000 0.229 115 S C 1.774 176.320 174.600 -0.090 0.000 1.030 115 S CA 1.900 60.025 58.200 -0.126 0.000 1.002 115 S CB -0.512 62.623 63.200 -0.109 0.000 0.829 115 S HN 0.550 nan 8.310 nan 0.000 0.467 116 F N 3.078 122.910 119.950 -0.196 0.000 2.051 116 F HA -0.190 4.343 4.527 0.011 0.000 0.296 116 F C 2.723 178.485 175.800 -0.063 0.000 1.122 116 F CA 1.651 59.598 58.000 -0.088 0.000 1.201 116 F CB -0.811 38.167 39.000 -0.036 0.000 0.978 116 F HN 0.276 nan 8.300 nan 0.000 0.472 117 S N -0.265 115.257 115.700 -0.296 0.000 2.374 117 S HA -0.339 4.138 4.470 0.011 0.000 0.227 117 S C 1.911 176.323 174.600 -0.312 0.000 1.037 117 S CA 1.592 59.235 58.200 -0.928 0.000 1.024 117 S CB -1.090 60.958 63.200 -1.921 0.000 0.861 117 S HN 0.630 nan 8.310 nan 0.000 0.456 118 Q N 0.711 120.340 119.800 -0.285 0.000 2.297 118 Q HA 0.088 4.435 4.340 0.011 0.000 0.208 118 Q C 1.962 177.860 176.000 -0.171 0.000 0.981 118 Q CA 1.114 56.803 55.803 -0.190 0.000 0.876 118 Q CB -0.545 28.087 28.738 -0.177 0.000 0.921 118 Q HN 0.627 nan 8.270 nan 0.000 0.446 119 L N -1.022 120.059 121.223 -0.237 0.000 2.456 119 L HA -0.094 4.252 4.340 0.011 0.000 0.224 119 L C 0.926 177.533 176.870 -0.439 0.000 1.148 119 L CA 0.584 55.197 54.840 -0.378 0.000 0.825 119 L CB -0.074 41.621 42.059 -0.605 0.000 0.937 119 L HN 0.229 nan 8.230 nan 0.000 0.450 120 F N -1.088 118.764 119.950 -0.164 0.000 2.695 120 F HA 0.150 4.682 4.527 0.010 0.000 0.303 120 F C 2.259 178.006 175.800 -0.089 0.000 1.091 120 F CA -0.177 57.788 58.000 -0.058 0.000 1.300 120 F CB -0.150 38.946 39.000 0.160 0.000 1.071 120 F HN -0.143 nan 8.300 nan 0.000 0.578 121 R N 0.706 121.196 120.500 -0.017 0.000 2.091 121 R HA -0.146 4.201 4.340 0.011 0.000 0.238 121 R C -0.612 175.597 176.300 -0.153 0.000 1.136 121 R CA 1.574 57.635 56.100 -0.065 0.000 0.959 121 R CB -1.788 28.448 30.300 -0.108 0.000 0.856 121 R HN 0.228 nan 8.270 nan 0.000 0.437 122 P HA -0.120 nan 4.420 nan 0.000 0.220 122 P C 1.024 178.154 177.300 -0.284 0.000 1.148 122 P CA 1.058 63.826 63.100 -0.553 0.000 0.803 122 P CB 0.080 30.828 31.700 -1.587 0.000 0.782 123 I N -0.884 119.603 120.570 -0.138 0.000 2.867 123 I HA -0.017 4.159 4.170 0.011 0.000 0.265 123 I C 1.936 178.112 176.117 0.098 0.000 1.162 123 I CA 1.119 62.437 61.300 0.030 0.000 1.471 123 I CB -1.201 36.871 38.000 0.119 0.000 1.123 123 I HN 0.062 nan 8.210 nan 0.000 0.440 124 E N 0.718 120.981 120.200 0.107 0.000 2.216 124 E HA -0.150 4.206 4.350 0.011 0.000 0.192 124 E C 1.817 178.510 176.600 0.155 0.000 0.988 124 E CA 0.692 57.185 56.400 0.155 0.000 0.834 124 E CB 0.212 30.010 29.700 0.163 0.000 0.772 124 E HN 0.531 nan 8.360 nan 0.000 0.479 125 E N 0.747 120.990 120.200 0.072 0.000 2.033 125 E HA -0.098 4.259 4.350 0.011 0.000 0.189 125 E C 2.033 178.665 176.600 0.052 0.000 0.979 125 E CA 0.580 57.005 56.400 0.042 0.000 0.802 125 E CB -0.107 29.588 29.700 -0.009 0.000 0.763 125 E HN 0.139 nan 8.360 nan 0.000 0.449 126 M N 0.503 120.133 119.600 0.049 0.000 2.426 126 M HA -0.207 4.279 4.480 0.011 0.000 0.261 126 M C 1.954 178.321 176.300 0.112 0.000 1.068 126 M CA 1.294 56.631 55.300 0.062 0.000 1.066 126 M CB -0.012 32.623 32.600 0.060 0.000 1.399 126 M HN 0.148 nan 8.290 nan 0.000 0.449 127 Y N 1.011 121.318 120.300 0.012 0.000 2.286 127 Y HA -0.094 4.461 4.550 0.009 0.000 0.293 127 Y C 2.021 177.927 175.900 0.011 0.000 1.124 127 Y CA 1.378 59.488 58.100 0.017 0.000 1.178 127 Y CB -0.143 38.330 38.460 0.022 0.000 1.010 127 Y HN 0.236 nan 8.280 nan 0.000 0.536 128 E N 1.295 121.427 120.200 -0.113 0.000 2.017 128 E HA -0.131 4.226 4.350 0.011 0.000 0.193 128 E C 0.818 177.320 176.600 -0.163 0.000 0.997 128 E CA 1.129 57.416 56.400 -0.189 0.000 0.804 128 E CB -0.465 29.200 29.700 -0.058 0.000 0.757 128 E HN 0.484 nan 8.360 nan 0.000 0.448 146 S N 1.153 116.784 115.700 -0.115 0.000 2.447 146 S HA 0.126 4.603 4.470 0.011 0.000 0.233 146 S C 1.626 176.114 174.600 -0.188 0.000 1.006 146 S CA 1.180 59.279 58.200 -0.168 0.000 0.957 146 S CB -0.300 62.821 63.200 -0.132 0.000 0.773 146 S HN 0.515 nan 8.310 nan 0.000 0.507 147 K N 0.871 121.191 120.400 -0.133 0.000 2.044 147 K HA 0.265 4.591 4.320 0.011 0.000 0.204 147 K C 1.965 178.490 176.600 -0.125 0.000 1.049 147 K CA 0.906 57.120 56.287 -0.121 0.000 0.945 147 K CB -0.252 32.201 32.500 -0.078 0.000 0.724 147 K HN 0.345 nan 8.250 nan 0.000 0.440 148 L N 1.021 122.180 121.223 -0.106 0.000 2.275 148 L HA -0.136 4.210 4.340 0.011 0.000 0.215 148 L C 2.121 178.920 176.870 -0.120 0.000 1.119 148 L CA 0.671 55.456 54.840 -0.093 0.000 0.790 148 L CB -0.226 41.792 42.059 -0.069 0.000 0.919 148 L HN 0.208 nan 8.230 nan 0.000 0.443 149 L N -0.681 120.442 121.223 -0.167 0.000 2.068 149 L HA -0.048 4.299 4.340 0.011 0.000 0.204 149 L C 2.685 179.388 176.870 -0.279 0.000 1.076 149 L CA 1.235 55.947 54.840 -0.213 0.000 0.753 149 L CB -0.993 40.904 42.059 -0.270 0.000 0.910 149 L HN 0.280 nan 8.230 nan 0.000 0.439 150 G N -0.358 108.244 108.800 -0.330 0.000 2.440 150 G HA2 -0.222 3.745 3.960 0.011 0.000 0.218 150 G HA3 -0.222 3.745 3.960 0.011 0.000 0.218 150 G C 1.600 176.372 174.900 -0.213 0.000 1.154 150 G CA 0.942 45.817 45.100 -0.375 0.000 0.767 150 G HN 0.179 nan 8.290 nan 0.000 0.552 151 V N 0.528 120.357 119.914 -0.142 0.000 2.287 151 V HA -0.274 3.852 4.120 0.011 0.000 0.248 151 V C 2.943 179.002 176.094 -0.058 0.000 1.053 151 V CA 2.412 64.665 62.300 -0.079 0.000 1.027 151 V CB -0.573 31.214 31.823 -0.061 0.000 0.646 151 V HN 0.470 nan 8.190 nan 0.000 0.447 152 Q N -0.684 119.074 119.800 -0.070 0.000 2.079 152 Q HA -0.097 4.249 4.340 0.011 0.000 0.200 152 Q C 2.245 178.246 176.000 0.002 0.000 0.974 152 Q CA 1.655 57.439 55.803 -0.032 0.000 0.840 152 Q CB -0.178 28.539 28.738 -0.035 0.000 0.898 152 Q HN 0.583 nan 8.270 nan 0.000 0.430 153 I N 0.290 120.835 120.570 -0.041 0.000 2.252 153 I HA -0.152 4.024 4.170 0.011 0.000 0.245 153 I C 2.335 178.510 176.117 0.096 0.000 1.102 153 I CA 1.102 62.433 61.300 0.052 0.000 1.385 153 I CB -0.589 37.317 38.000 -0.157 0.000 1.064 153 I HN 0.265 nan 8.210 nan 0.000 0.414 154 G N 0.630 109.432 108.800 0.002 0.000 2.408 154 G HA2 -0.161 3.806 3.960 0.011 0.000 0.217 154 G HA3 -0.161 3.806 3.960 0.011 0.000 0.217 154 G C 1.725 176.652 174.900 0.046 0.000 1.150 154 G CA 0.797 45.913 45.100 0.027 0.000 0.776 154 G HN 0.485 nan 8.290 nan 0.000 0.542 155 G N 1.049 109.875 108.800 0.043 0.000 2.446 155 G HA2 -0.177 3.790 3.960 0.011 0.000 0.217 155 G HA3 -0.177 3.790 3.960 0.011 0.000 0.217 155 G C 1.810 176.779 174.900 0.114 0.000 1.168 155 G CA 0.801 45.940 45.100 0.066 0.000 0.771 155 G HN 0.416 nan 8.290 nan 0.000 0.551 156 L N -0.360 120.936 121.223 0.123 0.000 2.046 156 L HA -0.048 4.299 4.340 0.011 0.000 0.208 156 L C 2.706 179.699 176.870 0.205 0.000 1.077 156 L CA 0.567 55.517 54.840 0.184 0.000 0.747 156 L CB -0.404 41.783 42.059 0.214 0.000 0.896 156 L HN 0.234 nan 8.230 nan 0.000 0.432 157 L N 0.152 121.429 121.223 0.090 0.000 2.056 157 L HA -0.041 4.306 4.340 0.011 0.000 0.207 157 L C 2.345 179.275 176.870 0.100 0.000 1.078 157 L CA 2.018 56.833 54.840 -0.042 0.000 0.749 157 L CB -1.016 40.840 42.059 -0.339 0.000 0.901 157 L HN 0.117 nan 8.230 nan 0.000 0.433 158 G N -1.796 107.071 108.800 0.111 0.000 2.432 158 G HA2 -0.363 3.604 3.960 0.011 0.000 0.219 158 G HA3 -0.363 3.604 3.960 0.011 0.000 0.219 158 G C 1.547 176.523 174.900 0.126 0.000 1.135 158 G CA 0.906 46.084 45.100 0.129 0.000 0.767 158 G HN 0.524 nan 8.290 nan 0.000 0.550 159 Y N 1.046 121.373 120.300 0.045 0.000 2.200 159 Y HA 0.038 4.595 4.550 0.011 0.000 0.290 159 Y C 2.542 178.444 175.900 0.004 0.000 1.137 159 Y CA 1.117 59.236 58.100 0.031 0.000 1.163 159 Y CB -0.248 38.237 38.460 0.042 0.000 0.988 159 Y HN 0.098 nan 8.280 nan 0.000 0.518 160 L N -0.266 120.957 121.223 0.000 0.000 2.079 160 L HA -0.244 4.103 4.340 0.011 0.000 0.210 160 L C 2.705 179.331 176.870 -0.407 0.000 1.081 160 L CA 1.164 55.926 54.840 -0.131 0.000 0.752 160 L CB -0.946 41.169 42.059 0.093 0.000 0.896 160 L HN 0.349 nan 8.230 nan 0.000 0.433 161 A N 0.172 122.825 122.820 -0.279 0.000 2.076 161 A HA -0.222 4.104 4.320 0.011 0.000 0.220 161 A C 1.989 179.380 177.584 -0.322 0.000 1.160 161 A CA 1.568 53.382 52.037 -0.372 0.000 0.653 161 A CB -0.404 18.662 19.000 0.110 0.000 0.801 161 A HN 0.690 nan 8.150 nan 0.000 0.455 162 Q N -1.660 117.971 119.800 -0.282 0.000 2.280 162 Q HA 0.241 4.588 4.340 0.011 0.000 0.201 162 Q C 1.242 177.082 176.000 -0.268 0.000 0.890 162 Q CA -0.018 55.650 55.803 -0.225 0.000 0.947 162 Q CB 0.304 28.937 28.738 -0.175 0.000 1.081 162 Q HN 0.611 nan 8.270 nan 0.000 0.502 163 R N -0.145 120.147 120.500 -0.346 0.000 2.492 163 R HA 0.212 4.559 4.340 0.011 0.000 0.219 163 R C 0.360 176.532 176.300 -0.213 0.000 0.886 163 R CA -0.064 55.879 56.100 -0.262 0.000 1.003 163 R CB 0.834 30.946 30.300 -0.313 0.000 1.345 163 R HN 0.069 nan 8.270 nan 0.000 0.631 164 V N 2.329 122.026 119.914 -0.362 0.000 2.673 164 V HA -0.054 4.073 4.120 0.011 0.000 0.303 164 V C 0.759 176.729 176.094 -0.208 0.000 1.046 164 V CA 0.413 62.510 62.300 -0.338 0.000 1.126 164 V CB 0.865 32.251 31.823 -0.727 0.000 0.934 164 V HN 0.109 nan 8.190 nan 0.000 0.487 165 L N 5.835 127.029 121.223 -0.048 0.000 2.500 165 L HA 0.597 4.944 4.340 0.011 0.000 0.219 165 L C 0.913 177.820 176.870 0.061 0.000 1.057 165 L CA 1.432 56.301 54.840 0.048 0.000 0.854 165 L CB -0.396 41.741 42.059 0.130 0.000 1.078 165 L HN 0.862 nan 8.230 nan 0.000 0.480 166 G N -2.717 106.096 108.800 0.021 0.000 2.619 166 G HA2 0.231 4.197 3.960 0.011 0.000 0.305 166 G HA3 0.231 4.197 3.960 0.011 0.000 0.305 166 G C -0.116 174.620 174.900 -0.274 0.000 1.330 166 G CA -0.312 44.710 45.100 -0.131 0.000 0.789 166 G HN -0.172 nan 8.290 nan 0.000 0.487 167 Q N -1.104 118.169 119.800 -0.879 0.000 2.118 167 Q HA -0.175 4.172 4.340 0.011 0.000 0.211 167 Q C 0.701 176.242 176.000 -0.764 0.000 0.998 167 Q CA 1.875 57.003 55.803 -1.125 0.000 0.872 167 Q CB -0.145 27.849 28.738 -1.240 0.000 0.925 167 Q HN 0.541 nan 8.270 nan 0.000 0.414 168 Y N -0.019 120.119 120.300 -0.271 0.000 2.801 168 Y HA 0.106 4.662 4.550 0.010 0.000 0.318 168 Y C 0.528 176.421 175.900 -0.012 0.000 1.073 168 Y CA -0.389 57.624 58.100 -0.146 0.000 1.360 168 Y CB 0.420 38.818 38.460 -0.103 0.000 1.220 168 Y HN 0.018 nan 8.280 nan 0.000 0.536 169 D N 0.172 120.633 120.400 0.102 0.000 2.249 169 D HA 0.070 4.717 4.640 0.011 0.000 0.205 169 D C 0.137 176.561 176.300 0.206 0.000 0.962 169 D CA 1.020 55.119 54.000 0.166 0.000 0.860 169 D CB 0.431 41.308 40.800 0.129 0.000 0.955 169 D HN 0.263 nan 8.370 nan 0.000 0.505 170 L N 0.750 122.088 121.223 0.192 0.000 2.316 170 L HA 0.272 4.619 4.340 0.011 0.000 0.280 170 L C 1.220 178.186 176.870 0.161 0.000 1.006 170 L CA -0.407 54.556 54.840 0.204 0.000 0.836 170 L CB 2.066 44.269 42.059 0.239 0.000 1.221 170 L HN -0.240 nan 8.230 nan 0.000 0.418 171 S N 2.536 118.380 115.700 0.240 0.000 2.368 171 S HA -0.180 4.297 4.470 0.011 0.000 0.226 171 S C 1.727 176.471 174.600 0.239 0.000 1.044 171 S CA 1.533 59.904 58.200 0.285 0.000 1.062 171 S CB -0.174 63.340 63.200 0.524 0.000 0.931 171 S HN 0.575 nan 8.310 nan 0.000 0.440 172 L N 0.692 121.935 121.223 0.033 0.000 2.265 172 L HA -0.052 4.294 4.340 0.011 0.000 0.215 172 L C 1.911 178.780 176.870 -0.002 0.000 1.117 172 L CA 0.821 55.633 54.840 -0.048 0.000 0.782 172 L CB -0.395 41.431 42.059 -0.389 0.000 0.914 172 L HN 0.314 nan 8.230 nan 0.000 0.441 173 L N -1.899 119.333 121.223 0.015 0.000 2.477 173 L HA 0.006 4.353 4.340 0.011 0.000 0.220 173 L C 2.240 179.055 176.870 -0.092 0.000 1.106 173 L CA 0.234 55.067 54.840 -0.010 0.000 0.851 173 L CB 0.026 42.117 42.059 0.054 0.000 0.994 173 L HN 0.100 nan 8.230 nan 0.000 0.462 174 S N 0.233 115.850 115.700 -0.139 0.000 2.527 174 S HA 0.152 4.629 4.470 0.011 0.000 0.222 174 S C 1.267 175.711 174.600 -0.261 0.000 0.985 174 S CA 0.242 58.202 58.200 -0.400 0.000 0.921 174 S CB -0.101 62.674 63.200 -0.708 0.000 0.772 174 S HN 0.387 nan 8.310 nan 0.000 0.529 180 G N -1.607 107.174 108.800 -0.031 0.000 2.175 180 G HA2 0.243 4.210 3.960 0.011 0.000 0.244 180 G HA3 0.243 4.210 3.960 0.011 0.000 0.244 180 G C 0.535 175.412 174.900 -0.038 0.000 0.982 180 G CA 1.356 46.437 45.100 -0.031 0.000 0.641 180 G HN 2.510 nan 8.290 nan 0.000 0.527 181 S N -1.226 114.455 115.700 -0.031 0.000 2.615 181 S HA 0.854 5.331 4.470 0.011 0.000 0.269 181 S C -1.120 173.425 174.600 -0.092 0.000 1.161 181 S CA -0.837 57.310 58.200 -0.088 0.000 0.817 181 S CB 2.639 65.804 63.200 -0.057 0.000 1.131 181 S HN 0.938 nan 8.310 nan 0.000 0.467 182 L N 1.527 122.641 121.223 -0.182 0.000 2.434 182 L HA 0.667 5.014 4.340 0.011 0.000 0.260 182 L C -1.623 175.012 176.870 -0.392 0.000 0.983 182 L CA -0.970 53.674 54.840 -0.327 0.000 0.820 182 L CB 2.310 44.175 42.059 -0.323 0.000 1.361 182 L HN 0.958 nan 8.230 nan 0.000 0.410 183 Y N 0.061 119.988 120.300 -0.622 0.000 2.562 183 Y HA 0.834 5.391 4.550 0.011 0.000 0.343 183 Y C -1.533 173.762 175.900 -1.009 0.000 1.025 183 Y CA -1.901 55.778 58.100 -0.703 0.000 1.082 183 Y CB 1.312 39.190 38.460 -0.970 0.000 1.264 183 Y HN 0.213 nan 8.280 nan 0.000 0.478 184 F N 0.819 120.662 119.950 -0.178 0.000 2.539 184 F HA 0.513 5.047 4.527 0.011 0.000 0.318 184 F C -0.724 175.084 175.800 0.013 0.000 1.135 184 F CA -1.411 56.467 58.000 -0.204 0.000 0.915 184 F CB 2.283 40.823 39.000 -0.767 0.000 1.176 184 F HN 0.356 nan 8.300 nan 0.000 0.440 185 V N 3.306 123.373 119.914 0.255 0.000 2.071 185 V HA 0.054 4.180 4.120 0.011 0.000 0.254 185 V C 1.374 177.596 176.094 0.214 0.000 1.456 185 V CA -0.040 62.405 62.300 0.241 0.000 1.383 185 V CB 0.033 31.934 31.823 0.131 0.000 1.433 185 V HN 0.840 nan 8.190 nan 0.000 0.499 186 E N 3.971 124.323 120.200 0.253 0.000 2.136 186 E HA -0.220 4.137 4.350 0.011 0.000 0.202 186 E C -0.374 176.345 176.600 0.199 0.000 1.019 186 E CA 2.113 58.674 56.400 0.268 0.000 0.819 186 E CB -0.659 29.212 29.700 0.284 0.000 0.739 186 E HN 0.558 nan 8.360 nan 0.000 0.458 187 P HA -0.110 nan 4.420 nan 0.000 0.215 187 P C 0.926 178.291 177.300 0.108 0.000 1.157 187 P CA 1.477 64.650 63.100 0.122 0.000 0.868 187 P CB -0.054 31.712 31.700 0.111 0.000 0.788 188 N N -0.885 117.872 118.700 0.096 0.000 2.270 188 N HA -0.041 4.706 4.740 0.011 0.000 0.181 188 N C 1.778 177.377 175.510 0.147 0.000 1.016 188 N CA 0.879 53.974 53.050 0.075 0.000 0.870 188 N CB -0.801 37.692 38.487 0.010 0.000 0.979 188 N HN 0.200 nan 8.380 nan 0.000 0.431 189 I N 0.919 121.611 120.570 0.203 0.000 2.226 189 I HA -0.217 3.959 4.170 0.011 0.000 0.245 189 I C 2.244 178.569 176.117 0.347 0.000 1.100 189 I CA 1.022 62.512 61.300 0.317 0.000 1.374 189 I CB -0.331 37.840 38.000 0.285 0.000 1.057 189 I HN 0.069 nan 8.210 nan 0.000 0.413 190 A N 0.870 123.830 122.820 0.234 0.000 1.902 190 A HA -0.190 4.136 4.320 0.011 0.000 0.217 190 A C 2.382 180.039 177.584 0.121 0.000 1.181 190 A CA 1.439 53.584 52.037 0.180 0.000 0.623 190 A CB -0.529 18.554 19.000 0.138 0.000 0.818 190 A HN 0.312 nan 8.150 nan 0.000 0.443 191 R N -0.810 119.750 120.500 0.099 0.000 2.092 191 R HA -0.041 4.306 4.340 0.011 0.000 0.231 191 R C 1.979 178.290 176.300 0.019 0.000 1.119 191 R CA 1.321 57.450 56.100 0.049 0.000 0.970 191 R CB -0.380 29.942 30.300 0.037 0.000 0.864 191 R HN 0.399 nan 8.270 nan 0.000 0.440 192 V N 0.940 120.884 119.914 0.049 0.000 2.323 192 V HA -0.240 3.886 4.120 0.011 0.000 0.244 192 V C 2.510 178.466 176.094 -0.230 0.000 1.041 192 V CA 1.654 63.926 62.300 -0.047 0.000 1.025 192 V CB -0.579 31.277 31.823 0.055 0.000 0.656 192 V HN 0.379 nan 8.190 nan 0.000 0.451 193 Q N 0.047 119.730 119.800 -0.196 0.000 2.112 193 Q HA -0.327 4.019 4.340 0.011 0.000 0.206 193 Q C 2.237 178.120 176.000 -0.195 0.000 0.987 193 Q CA 2.434 58.042 55.803 -0.324 0.000 0.858 193 Q CB -0.064 28.714 28.738 0.067 0.000 0.905 193 Q HN 0.712 nan 8.270 nan 0.000 0.420 194 Q N -0.376 119.373 119.800 -0.085 0.000 2.187 194 Q HA -0.114 4.233 4.340 0.011 0.000 0.199 194 Q C 2.012 177.964 176.000 -0.080 0.000 0.957 194 Q CA 1.157 56.923 55.803 -0.062 0.000 0.857 194 Q CB 0.157 28.885 28.738 -0.016 0.000 0.929 194 Q HN 0.396 nan 8.270 nan 0.000 0.453 195 Q N -0.039 119.708 119.800 -0.089 0.000 2.224 195 Q HA -0.022 4.325 4.340 0.011 0.000 0.203 195 Q C 1.169 177.099 176.000 -0.118 0.000 0.970 195 Q CA 0.831 56.583 55.803 -0.085 0.000 0.865 195 Q CB 0.292 28.988 28.738 -0.071 0.000 0.922 195 Q HN 0.330 nan 8.270 nan 0.000 0.445 196 L N -1.197 119.918 121.223 -0.179 0.000 2.607 196 L HA 0.272 4.619 4.340 0.011 0.000 0.228 196 L C 0.794 177.551 176.870 -0.189 0.000 1.123 196 L CA 0.042 54.755 54.840 -0.211 0.000 0.890 196 L CB 0.071 41.933 42.059 -0.330 0.000 1.103 196 L HN 0.271 nan 8.230 nan 0.000 0.468 197 G N 1.515 110.226 108.800 -0.149 0.000 2.323 197 G HA2 -0.280 3.687 3.960 0.011 0.000 0.292 197 G HA3 -0.280 3.687 3.960 0.011 0.000 0.292 197 G C -0.007 174.813 174.900 -0.133 0.000 1.040 197 G CA 0.278 45.309 45.100 -0.115 0.000 0.942 197 G HN 0.266 nan 8.290 nan 0.000 0.506 198 L N -0.455 120.661 121.223 -0.179 0.000 2.365 198 L HA 0.677 5.024 4.340 0.011 0.000 0.267 198 L C 1.212 178.034 176.870 -0.080 0.000 1.033 198 L CA -0.732 54.003 54.840 -0.175 0.000 0.802 198 L CB 1.607 43.463 42.059 -0.339 0.000 1.267 198 L HN 0.229 nan 8.230 nan 0.000 0.457 199 S N -0.072 115.610 115.700 -0.029 0.000 2.528 199 S HA -0.038 4.439 4.470 0.011 0.000 0.277 199 S C 0.789 175.439 174.600 0.082 0.000 1.297 199 S CA -0.498 57.715 58.200 0.022 0.000 1.052 199 S CB 0.543 63.761 63.200 0.030 0.000 0.917 199 S HN 0.743 nan 8.310 nan 0.000 0.492 200 D N 3.341 123.781 120.400 0.067 0.000 2.087 200 D HA -0.194 4.453 4.640 0.011 0.000 0.192 200 D C 1.552 177.904 176.300 0.088 0.000 0.993 200 D CA 1.894 55.949 54.000 0.091 0.000 0.828 200 D CB -0.147 40.683 40.800 0.050 0.000 0.968 200 D HN 0.799 nan 8.370 nan 0.000 0.448 201 E N 0.593 120.819 120.200 0.043 0.000 2.031 201 E HA -0.167 4.190 4.350 0.011 0.000 0.193 201 E C 1.739 178.381 176.600 0.071 0.000 0.994 201 E CA 1.882 58.296 56.400 0.022 0.000 0.800 201 E CB -0.303 29.397 29.700 0.000 0.000 0.752 201 E HN 0.228 nan 8.360 nan 0.000 0.447 202 D N -0.632 119.832 120.400 0.106 0.000 2.117 202 D HA -0.143 4.503 4.640 0.011 0.000 0.197 202 D C 1.550 178.006 176.300 0.260 0.000 0.987 202 D CA 0.943 55.038 54.000 0.158 0.000 0.829 202 D CB -0.406 40.472 40.800 0.130 0.000 0.961 202 D HN 0.218 nan 8.370 nan 0.000 0.460 203 F N 1.536 121.531 119.950 0.075 0.000 2.146 203 F HA -0.039 4.494 4.527 0.011 0.000 0.298 203 F C 2.062 178.011 175.800 0.248 0.000 1.096 203 F CA 1.281 59.348 58.000 0.111 0.000 1.275 203 F CB -0.092 38.920 39.000 0.021 0.000 1.008 203 F HN -0.188 nan 8.300 nan 0.000 0.480 204 R N -0.495 120.038 120.500 0.056 0.000 2.148 204 R HA -0.090 4.256 4.340 0.011 0.000 0.223 204 R C 2.030 178.345 176.300 0.025 0.000 1.088 204 R CA 1.124 57.200 56.100 -0.040 0.000 0.985 204 R CB -0.506 29.732 30.300 -0.103 0.000 0.880 204 R HN 0.324 nan 8.270 nan 0.000 0.451 205 L N -0.497 120.773 121.223 0.078 0.000 2.131 205 L HA -0.044 4.302 4.340 0.011 0.000 0.206 205 L C 1.870 178.833 176.870 0.155 0.000 1.087 205 L CA 1.367 56.262 54.840 0.093 0.000 0.767 205 L CB -0.451 41.665 42.059 0.095 0.000 0.917 205 L HN 0.183 nan 8.230 nan 0.000 0.441 206 W N 0.382 121.700 121.300 0.030 0.000 2.355 206 W HA -0.210 4.456 4.660 0.010 0.000 0.309 206 W C 2.231 178.767 176.519 0.028 0.000 1.206 206 W CA 2.249 59.629 57.345 0.058 0.000 1.284 206 W CB -0.151 29.350 29.460 0.069 0.000 1.145 206 W HN 0.142 nan 8.180 nan 0.000 0.502 207 I N -0.104 120.530 120.570 0.106 0.000 2.252 207 I HA -0.322 3.855 4.170 0.011 0.000 0.245 207 I C 2.320 178.493 176.117 0.094 0.000 1.102 207 I CA 1.791 63.092 61.300 0.002 0.000 1.385 207 I CB -0.865 37.139 38.000 0.006 0.000 1.064 207 I HN -0.075 nan 8.210 nan 0.000 0.414 208 T N 1.240 115.894 114.554 0.166 0.000 2.746 208 T HA -0.120 4.236 4.350 0.011 0.000 0.267 208 T C 1.947 176.708 174.700 0.102 0.000 1.039 208 T CA 1.189 63.439 62.100 0.249 0.000 1.142 208 T CB -0.269 68.699 68.868 0.165 0.000 0.866 208 T HN 0.229 nan 8.240 nan 0.000 0.444 209 L N 0.136 121.365 121.223 0.011 0.000 2.046 209 L HA -0.140 4.206 4.340 0.011 0.000 0.208 209 L C 2.656 179.476 176.870 -0.084 0.000 1.077 209 L CA 1.520 56.336 54.840 -0.041 0.000 0.747 209 L CB -0.662 41.364 42.059 -0.055 0.000 0.896 209 L HN 0.462 nan 8.230 nan 0.000 0.432 210 H N 0.026 118.896 119.070 -0.333 0.000 2.353 210 H HA -0.213 4.349 4.556 0.011 0.000 0.300 210 H C 2.144 177.322 175.328 -0.250 0.000 1.090 210 H CA 1.933 57.744 56.048 -0.395 0.000 1.327 210 H CB 0.441 29.743 29.762 -0.767 0.000 1.383 210 H HN 0.291 nan 8.280 nan 0.000 0.508 211 E N 0.376 120.445 120.200 -0.218 0.000 2.051 211 E HA -0.174 4.182 4.350 0.011 0.000 0.192 211 E C 2.347 178.885 176.600 -0.103 0.000 0.991 211 E CA 1.410 57.703 56.400 -0.179 0.000 0.799 211 E CB -0.170 29.483 29.700 -0.078 0.000 0.748 211 E HN 0.347 nan 8.360 nan 0.000 0.449 212 M N -0.300 119.293 119.600 -0.011 0.000 2.175 212 M HA -0.104 4.382 4.480 0.011 0.000 0.264 212 M C 1.935 178.288 176.300 0.088 0.000 1.063 212 M CA 1.602 56.947 55.300 0.074 0.000 1.119 212 M CB -0.417 32.246 32.600 0.105 0.000 1.377 212 M HN 0.053 nan 8.290 nan 0.000 0.415 213 T N -0.400 114.154 114.554 0.001 0.000 2.652 213 T HA -0.191 4.165 4.350 0.011 0.000 0.267 213 T C 1.667 176.388 174.700 0.034 0.000 1.039 213 T CA 1.889 64.006 62.100 0.027 0.000 1.153 213 T CB -0.689 68.232 68.868 0.088 0.000 0.863 213 T HN 0.554 nan 8.240 nan 0.000 0.428 214 H N 0.412 119.307 119.070 -0.293 0.000 2.456 214 H HA 0.094 4.656 4.556 0.011 0.000 0.296 214 H C 2.552 177.490 175.328 -0.649 0.000 1.079 214 H CA 0.750 56.542 56.048 -0.426 0.000 1.322 214 H CB -0.028 29.402 29.762 -0.554 0.000 1.388 214 H HN 0.376 nan 8.280 nan 0.000 0.538 215 A N 0.963 123.470 122.820 -0.521 0.000 1.930 215 A HA -0.134 4.193 4.320 0.011 0.000 0.217 215 A C 1.982 179.442 177.584 -0.207 0.000 1.175 215 A CA 0.995 52.812 52.037 -0.367 0.000 0.627 215 A CB -0.715 18.224 19.000 -0.102 0.000 0.815 215 A HN 0.190 nan 8.150 nan 0.000 0.443 216 F N 0.409 120.186 119.950 -0.288 0.000 2.084 216 F HA -0.106 4.428 4.527 0.011 0.000 0.296 216 F C 2.463 177.957 175.800 -0.510 0.000 1.111 216 F CA 1.896 59.677 58.000 -0.365 0.000 1.224 216 F CB -0.449 38.371 39.000 -0.300 0.000 0.991 216 F HN 0.304 nan 8.300 nan 0.000 0.471 217 E N -0.943 119.087 120.200 -0.283 0.000 2.160 217 E HA -0.228 4.128 4.350 0.011 0.000 0.195 217 E C 1.969 178.242 176.600 -0.546 0.000 0.991 217 E CA 1.448 57.511 56.400 -0.562 0.000 0.810 217 E CB -0.358 29.043 29.700 -0.499 0.000 0.742 217 E HN 0.387 nan 8.360 nan 0.000 0.466 218 F N 0.294 120.055 119.950 -0.316 0.000 2.619 218 F HA 0.073 4.606 4.527 0.010 0.000 0.293 218 F C 1.765 177.443 175.800 -0.204 0.000 1.119 218 F CA 0.627 58.509 58.000 -0.197 0.000 1.445 218 F CB 0.484 39.444 39.000 -0.067 0.000 1.119 218 F HN -0.088 nan 8.300 nan 0.000 0.573 219 E N -0.971 119.137 120.200 -0.154 0.000 2.474 219 E HA 0.210 4.566 4.350 0.011 0.000 0.215 219 E C 1.948 178.298 176.600 -0.416 0.000 0.867 219 E CA 0.477 56.743 56.400 -0.222 0.000 1.135 219 E CB 0.119 29.711 29.700 -0.180 0.000 1.147 219 E HN 0.177 nan 8.360 nan 0.000 0.534 220 A N 0.797 123.208 122.820 -0.682 0.000 2.066 220 A HA -0.044 4.282 4.320 0.011 0.000 0.218 220 A C 0.212 177.198 177.584 -0.997 0.000 1.157 220 A CA 0.771 52.261 52.037 -0.912 0.000 0.670 220 A CB -0.307 18.018 19.000 -1.124 0.000 0.804 220 A HN 0.211 nan 8.150 nan 0.000 0.453 221 Y N -1.345 118.716 120.300 -0.399 0.000 2.464 221 Y HA 0.379 4.936 4.550 0.011 0.000 0.326 221 Y C -1.931 173.727 175.900 -0.403 0.000 0.969 221 Y CA -2.465 55.391 58.100 -0.408 0.000 1.270 221 Y CB 0.982 39.051 38.460 -0.651 0.000 1.103 221 Y HN 0.074 nan 8.280 nan 0.000 0.491 222 P HA -0.231 nan 4.420 nan 0.000 0.217 222 P C 1.481 178.842 177.300 0.101 0.000 1.148 222 P CA 1.827 64.929 63.100 0.005 0.000 0.834 222 P CB 0.017 31.756 31.700 0.065 0.000 0.783 223 W N -1.302 120.082 121.300 0.139 0.000 2.465 223 W HA -0.036 4.630 4.660 0.010 0.000 0.268 223 W C 1.094 177.746 176.519 0.222 0.000 1.242 223 W CA 0.241 57.678 57.345 0.154 0.000 1.248 223 W CB -1.603 27.922 29.460 0.108 0.000 1.118 223 W HN -0.214 nan 8.180 nan 0.000 0.587 224 V N 2.494 122.239 119.914 -0.282 0.000 2.255 224 V HA -0.329 3.797 4.120 0.011 0.000 0.247 224 V C 2.821 179.064 176.094 0.249 0.000 1.051 224 V CA 2.581 64.769 62.300 -0.186 0.000 1.018 224 V CB -1.036 30.497 31.823 -0.485 0.000 0.641 224 V HN 0.121 nan 8.190 nan 0.000 0.445 225 R N -0.560 120.083 120.500 0.238 0.000 2.115 225 R HA -0.092 4.254 4.340 0.011 0.000 0.226 225 R C 2.444 178.939 176.300 0.324 0.000 1.100 225 R CA 1.684 57.992 56.100 0.345 0.000 0.980 225 R CB -0.526 29.934 30.300 0.268 0.000 0.875 225 R HN 0.548 nan 8.270 nan 0.000 0.445 226 T N 0.138 114.872 114.554 0.300 0.000 2.708 226 T HA -0.210 4.146 4.350 0.011 0.000 0.266 226 T C 1.404 176.308 174.700 0.340 0.000 1.037 226 T CA 1.414 63.679 62.100 0.276 0.000 1.146 226 T CB -0.430 68.603 68.868 0.275 0.000 0.865 226 T HN 0.286 nan 8.240 nan 0.000 0.435 227 Y N 0.963 121.462 120.300 0.332 0.000 2.224 227 Y HA -0.063 4.493 4.550 0.011 0.000 0.289 227 Y C 1.964 178.082 175.900 0.363 0.000 1.146 227 Y CA 0.519 58.824 58.100 0.342 0.000 1.182 227 Y CB -0.536 38.218 38.460 0.489 0.000 0.983 227 Y HN 0.192 nan 8.280 nan 0.000 0.524 228 F N 0.875 120.889 119.950 0.107 0.000 2.163 228 F HA -0.030 4.503 4.527 0.010 0.000 0.297 228 F C 2.334 178.147 175.800 0.021 0.000 1.094 228 F CA 1.508 59.515 58.000 0.011 0.000 1.290 228 F CB -0.588 38.515 39.000 0.172 0.000 1.017 228 F HN -0.077 nan 8.300 nan 0.000 0.483 229 R N 0.217 120.745 120.500 0.045 0.000 2.115 229 R HA -0.132 4.214 4.340 0.011 0.000 0.230 229 R C 2.120 178.396 176.300 -0.041 0.000 1.111 229 R CA 1.534 57.594 56.100 -0.067 0.000 0.976 229 R CB -0.276 30.038 30.300 0.024 0.000 0.870 229 R HN 0.405 nan 8.270 nan 0.000 0.445 230 E N 0.595 120.804 120.200 0.015 0.000 2.031 230 E HA -0.189 4.167 4.350 0.011 0.000 0.193 230 E C 2.034 178.605 176.600 -0.048 0.000 0.994 230 E CA 1.142 57.554 56.400 0.019 0.000 0.800 230 E CB -0.119 29.636 29.700 0.091 0.000 0.752 230 E HN 0.271 nan 8.360 nan 0.000 0.447 231 L N 0.778 121.917 121.223 -0.140 0.000 2.079 231 L HA -0.222 4.124 4.340 0.011 0.000 0.210 231 L C 2.462 179.262 176.870 -0.118 0.000 1.081 231 L CA 0.890 55.647 54.840 -0.139 0.000 0.752 231 L CB -0.511 41.450 42.059 -0.163 0.000 0.896 231 L HN 0.199 nan 8.230 nan 0.000 0.433 232 L N -0.847 120.279 121.223 -0.162 0.000 2.027 232 L HA -0.148 4.199 4.340 0.011 0.000 0.206 232 L C 2.775 179.624 176.870 -0.035 0.000 1.074 232 L CA 0.965 55.702 54.840 -0.172 0.000 0.745 232 L CB -0.581 41.373 42.059 -0.174 0.000 0.898 232 L HN 0.231 nan 8.230 nan 0.000 0.433 233 E N 0.095 120.327 120.200 0.053 0.000 2.058 233 E HA -0.297 4.060 4.350 0.011 0.000 0.194 233 E C 2.007 178.657 176.600 0.083 0.000 0.997 233 E CA 1.435 57.914 56.400 0.133 0.000 0.801 233 E CB -0.241 29.504 29.700 0.074 0.000 0.746 233 E HN 0.420 nan 8.360 nan 0.000 0.450 234 Q N 1.469 121.273 119.800 0.007 0.000 1.985 234 Q HA -0.250 4.096 4.340 0.011 0.000 0.207 234 Q C 1.926 177.895 176.000 -0.051 0.000 0.996 234 Q CA 2.397 58.190 55.803 -0.016 0.000 0.851 234 Q CB -0.578 28.140 28.738 -0.033 0.000 0.921 234 Q HN 0.249 nan 8.270 nan 0.000 0.418 235 N N -0.907 117.710 118.700 -0.139 0.000 2.069 235 N HA -0.227 4.520 4.740 0.011 0.000 0.196 235 N C 1.341 176.737 175.510 -0.190 0.000 1.024 235 N CA 2.150 55.068 53.050 -0.220 0.000 0.869 235 N CB -0.535 37.747 38.487 -0.342 0.000 1.035 235 N HN 0.409 nan 8.380 nan 0.000 0.434 236 F N -0.275 119.691 119.950 0.027 0.000 2.604 236 F HA 0.148 4.681 4.527 0.010 0.000 0.298 236 F C 2.209 178.017 175.800 0.014 0.000 1.131 236 F CA 0.247 58.260 58.000 0.022 0.000 1.457 236 F CB -0.145 38.859 39.000 0.007 0.000 1.095 236 F HN 0.149 nan 8.300 nan 0.000 0.574 237 A N 0.217 123.123 122.820 0.142 0.000 2.259 237 A HA 0.114 4.440 4.320 0.011 0.000 0.212 237 A C 0.708 178.332 177.584 0.067 0.000 1.178 237 A CA 0.959 53.048 52.037 0.087 0.000 0.734 237 A CB -0.489 18.537 19.000 0.044 0.000 0.774 237 A HN 0.367 nan 8.150 nan 0.000 0.481 277 P HA -0.075 nan 4.420 nan 0.000 0.226 277 P C 0.981 178.231 177.300 -0.085 0.000 1.146 277 P CA 0.936 64.000 63.100 -0.061 0.000 0.773 277 P CB 0.341 32.019 31.700 -0.036 0.000 0.772 278 E N 0.343 120.486 120.200 -0.096 0.000 2.028 278 E HA -0.159 4.197 4.350 0.011 0.000 0.190 278 E C 2.209 178.700 176.600 -0.182 0.000 0.984 278 E CA 0.890 57.227 56.400 -0.106 0.000 0.800 278 E CB -0.371 29.279 29.700 -0.083 0.000 0.758 278 E HN 0.373 nan 8.360 nan 0.000 0.448 279 Q N 0.744 120.388 119.800 -0.261 0.000 2.167 279 Q HA -0.102 4.245 4.340 0.011 0.000 0.202 279 Q C 2.134 177.699 176.000 -0.724 0.000 0.970 279 Q CA 0.895 56.399 55.803 -0.500 0.000 0.855 279 Q CB 0.123 28.547 28.738 -0.523 0.000 0.911 279 Q HN 0.096 nan 8.270 nan 0.000 0.438 280 R N -0.489 119.752 120.500 -0.432 0.000 2.115 280 R HA -0.076 4.271 4.340 0.011 0.000 0.230 280 R C 2.197 178.415 176.300 -0.137 0.000 1.111 280 R CA 0.953 56.894 56.100 -0.265 0.000 0.976 280 R CB -0.195 30.045 30.300 -0.101 0.000 0.870 280 R HN 0.216 nan 8.270 nan 0.000 0.445 281 A N 0.636 123.379 122.820 -0.128 0.000 1.898 281 A HA -0.106 4.221 4.320 0.011 0.000 0.216 281 A C 2.302 179.865 177.584 -0.034 0.000 1.181 281 A CA 1.282 53.286 52.037 -0.055 0.000 0.620 281 A CB -0.465 18.506 19.000 -0.048 0.000 0.819 281 A HN 0.095 nan 8.150 nan 0.000 0.442 282 V N -0.557 119.298 119.914 -0.099 0.000 2.237 282 V HA -0.249 3.878 4.120 0.011 0.000 0.245 282 V C 2.374 178.536 176.094 0.114 0.000 1.046 282 V CA 2.094 64.371 62.300 -0.038 0.000 1.007 282 V CB -1.120 30.630 31.823 -0.123 0.000 0.638 282 V HN 0.524 nan 8.190 nan 0.000 0.445 283 F N 0.554 120.475 119.950 -0.050 0.000 2.091 283 F HA -0.204 4.329 4.527 0.009 0.000 0.299 283 F C 2.519 178.286 175.800 -0.055 0.000 1.103 283 F CA 1.471 59.434 58.000 -0.062 0.000 1.228 283 F CB -1.303 37.662 39.000 -0.058 0.000 0.984 283 F HN 0.275 nan 8.300 nan 0.000 0.477 284 D N 0.169 120.665 120.400 0.161 0.000 2.116 284 D HA -0.190 4.457 4.640 0.011 0.000 0.193 284 D C 2.425 178.759 176.300 0.057 0.000 0.998 284 D CA 1.251 55.297 54.000 0.077 0.000 0.836 284 D CB -0.026 40.803 40.800 0.048 0.000 0.951 284 D HN 0.248 nan 8.370 nan 0.000 0.449 285 R N -0.157 120.389 120.500 0.077 0.000 2.066 285 R HA -0.027 4.320 4.340 0.011 0.000 0.232 285 R C 2.734 179.087 176.300 0.088 0.000 1.131 285 R CA 0.841 57.002 56.100 0.100 0.000 0.955 285 R CB -0.241 30.140 30.300 0.134 0.000 0.851 285 R HN 0.279 nan 8.270 nan 0.000 0.432 286 I N 0.995 121.612 120.570 0.079 0.000 2.208 286 I HA -0.324 3.853 4.170 0.011 0.000 0.245 286 I C 2.431 178.531 176.117 -0.029 0.000 1.097 286 I CA 1.503 62.846 61.300 0.072 0.000 1.363 286 I CB -0.296 37.759 38.000 0.091 0.000 1.051 286 I HN 0.260 nan 8.210 nan 0.000 0.413 287 Q N 0.465 120.232 119.800 -0.055 0.000 2.050 287 Q HA -0.188 4.159 4.340 0.011 0.000 0.202 287 Q C 2.468 178.425 176.000 -0.073 0.000 0.980 287 Q CA 1.816 57.563 55.803 -0.094 0.000 0.840 287 Q CB -0.285 28.411 28.738 -0.069 0.000 0.898 287 Q HN 0.591 nan 8.270 nan 0.000 0.424 288 A N 0.630 123.420 122.820 -0.050 0.000 1.969 288 A HA -0.156 4.171 4.320 0.011 0.000 0.218 288 A C 2.011 179.531 177.584 -0.107 0.000 1.169 288 A CA 1.034 53.016 52.037 -0.092 0.000 0.635 288 A CB -0.503 18.448 19.000 -0.082 0.000 0.810 288 A HN 0.360 nan 8.150 nan 0.000 0.445 289 L N -1.388 119.813 121.223 -0.038 0.000 2.005 289 L HA -0.088 4.259 4.340 0.011 0.000 0.207 289 L C 2.305 179.112 176.870 -0.105 0.000 1.072 289 L CA 2.293 57.109 54.840 -0.039 0.000 0.744 289 L CB -0.518 41.580 42.059 0.064 0.000 0.895 289 L HN 0.290 nan 8.230 nan 0.000 0.433 290 M N -0.625 118.921 119.600 -0.090 0.000 2.108 290 M HA -0.191 4.296 4.480 0.011 0.000 0.261 290 M C 2.637 178.916 176.300 -0.036 0.000 1.066 290 M CA 1.958 57.225 55.300 -0.056 0.000 1.107 290 M CB -0.984 31.588 32.600 -0.047 0.000 1.356 290 M HN 0.480 nan 8.290 nan 0.000 0.406 291 S N -0.294 115.368 115.700 -0.064 0.000 2.356 291 S HA -0.128 4.348 4.470 0.011 0.000 0.223 291 S C 1.878 176.434 174.600 -0.074 0.000 1.032 291 S CA 1.369 59.535 58.200 -0.057 0.000 1.005 291 S CB -0.417 62.728 63.200 -0.092 0.000 0.867 291 S HN 0.428 nan 8.310 nan 0.000 0.449 292 L N 1.507 122.635 121.223 -0.159 0.000 2.046 292 L HA 0.069 4.416 4.340 0.011 0.000 0.208 292 L C 2.135 178.970 176.870 -0.059 0.000 1.077 292 L CA 1.659 56.385 54.840 -0.190 0.000 0.747 292 L CB -0.521 41.316 42.059 -0.371 0.000 0.896 292 L HN 0.408 nan 8.230 nan 0.000 0.432 293 I N -0.449 120.071 120.570 -0.083 0.000 2.194 293 I HA -0.275 3.901 4.170 0.011 0.000 0.246 293 I C 2.433 178.539 176.117 -0.018 0.000 1.093 293 I CA 1.234 62.497 61.300 -0.062 0.000 1.355 293 I CB -0.415 37.457 38.000 -0.214 0.000 1.046 293 I HN 0.363 nan 8.210 nan 0.000 0.413 294 E N 0.691 120.925 120.200 0.056 0.000 2.046 294 E HA -0.113 4.244 4.350 0.011 0.000 0.190 294 E C 2.257 178.975 176.600 0.196 0.000 0.982 294 E CA 1.376 57.880 56.400 0.173 0.000 0.800 294 E CB -0.616 29.198 29.700 0.191 0.000 0.756 294 E HN 0.525 nan 8.360 nan 0.000 0.449 295 G N -0.040 108.848 108.800 0.147 0.000 2.418 295 G HA2 -0.287 3.679 3.960 0.011 0.000 0.217 295 G HA3 -0.287 3.679 3.960 0.011 0.000 0.217 295 G C 1.604 176.624 174.900 0.200 0.000 1.158 295 G CA 0.658 45.852 45.100 0.157 0.000 0.771 295 G HN 0.259 nan 8.290 nan 0.000 0.545 296 Y N 1.578 121.949 120.300 0.118 0.000 2.242 296 Y HA 0.028 4.585 4.550 0.011 0.000 0.291 296 Y C 2.862 178.921 175.900 0.265 0.000 1.137 296 Y CA 1.317 59.535 58.100 0.197 0.000 1.181 296 Y CB -0.142 38.455 38.460 0.228 0.000 0.989 296 Y HN 0.180 nan 8.280 nan 0.000 0.527 297 G N -0.284 108.740 108.800 0.375 0.000 2.408 297 G HA2 -0.262 3.704 3.960 0.011 0.000 0.217 297 G HA3 -0.262 3.704 3.960 0.011 0.000 0.217 297 G C 1.473 176.556 174.900 0.306 0.000 1.150 297 G CA 0.966 46.252 45.100 0.310 0.000 0.776 297 G HN 0.317 nan 8.290 nan 0.000 0.542 298 N N -0.126 118.749 118.700 0.292 0.000 2.396 298 N HA -0.050 4.696 4.740 0.011 0.000 0.180 298 N C 1.719 177.356 175.510 0.211 0.000 1.028 298 N CA 0.865 54.069 53.050 0.257 0.000 0.893 298 N CB -0.214 38.416 38.487 0.238 0.000 0.967 298 N HN 0.558 nan 8.380 nan 0.000 0.440 299 H N 0.262 119.392 119.070 0.099 0.000 2.372 299 H HA 0.121 4.683 4.556 0.011 0.000 0.301 299 H C 1.773 177.123 175.328 0.036 0.000 1.065 299 H CA 0.951 57.016 56.048 0.029 0.000 1.364 299 H CB 0.094 29.788 29.762 -0.114 0.000 1.406 299 H HN -0.142 nan 8.280 nan 0.000 0.521 300 V N 0.528 120.520 119.914 0.130 0.000 2.515 300 V HA -0.238 3.888 4.120 0.011 0.000 0.250 300 V C 2.349 178.376 176.094 -0.112 0.000 1.058 300 V CA 1.358 63.684 62.300 0.044 0.000 1.064 300 V CB -0.497 31.470 31.823 0.239 0.000 0.675 300 V HN 0.457 nan 8.190 nan 0.000 0.461 301 M N 0.199 119.814 119.600 0.025 0.000 2.086 301 M HA -0.134 4.352 4.480 0.011 0.000 0.261 301 M C 2.146 178.480 176.300 0.057 0.000 1.067 301 M CA 1.585 56.944 55.300 0.099 0.000 1.116 301 M CB -1.543 31.195 32.600 0.229 0.000 1.348 301 M HN 0.414 nan 8.290 nan 0.000 0.407 302 N N 0.290 119.002 118.700 0.021 0.000 2.149 302 N HA -0.094 4.653 4.740 0.011 0.000 0.188 302 N C 1.591 176.861 175.510 -0.400 0.000 1.019 302 N CA 1.729 54.686 53.050 -0.155 0.000 0.857 302 N CB -0.053 38.374 38.487 -0.101 0.000 0.997 302 N HN 0.353 nan 8.380 nan 0.000 0.426 303 A N 0.159 122.708 122.820 -0.452 0.000 2.021 303 A HA 0.078 4.404 4.320 0.011 0.000 0.216 303 A C 2.284 179.566 177.584 -0.504 0.000 1.163 303 A CA 0.712 52.435 52.037 -0.523 0.000 0.676 303 A CB 0.096 18.646 19.000 -0.750 0.000 0.818 303 A HN 0.109 nan 8.150 nan 0.000 0.453 304 V N -1.367 118.274 119.914 -0.455 0.000 3.048 304 V HA 0.098 4.225 4.120 0.011 0.000 0.241 304 V C 2.582 178.537 176.094 -0.232 0.000 1.129 304 V CA 1.137 63.241 62.300 -0.327 0.000 1.128 304 V CB -0.538 31.117 31.823 -0.281 0.000 0.849 304 V HN 0.495 nan 8.190 nan 0.000 0.475 305 G N -0.086 108.584 108.800 -0.217 0.000 2.421 305 G HA2 -0.162 3.805 3.960 0.011 0.000 0.217 305 G HA3 -0.162 3.805 3.960 0.011 0.000 0.217 305 G C 1.695 176.360 174.900 -0.391 0.000 1.143 305 G CA 0.405 45.445 45.100 -0.101 0.000 0.784 305 G HN 0.336 nan 8.290 nan 0.000 0.541 306 R N 0.610 120.571 120.500 -0.898 0.000 2.083 306 R HA -0.112 4.235 4.340 0.011 0.000 0.237 306 R C 2.797 178.890 176.300 -0.346 0.000 1.137 306 R CA 1.679 57.251 56.100 -0.879 0.000 0.951 306 R CB -0.159 29.668 30.300 -0.788 0.000 0.851 306 R HN 0.410 nan 8.270 nan 0.000 0.434 307 R N 0.026 120.368 120.500 -0.263 0.000 2.193 307 R HA -0.074 4.273 4.340 0.011 0.000 0.229 307 R C 1.558 177.805 176.300 -0.088 0.000 1.110 307 R CA 1.213 57.225 56.100 -0.147 0.000 0.988 307 R CB -0.305 29.915 30.300 -0.132 0.000 0.871 307 R HN 0.245 nan 8.270 nan 0.000 0.458 308 L N 0.147 121.326 121.223 -0.074 0.000 2.731 308 L HA 0.335 4.681 4.340 0.011 0.000 0.240 308 L C 0.009 176.908 176.870 0.048 0.000 1.120 308 L CA -0.161 54.673 54.840 -0.011 0.000 0.913 308 L CB 0.357 42.413 42.059 -0.005 0.000 1.213 308 L HN 0.089 nan 8.230 nan 0.000 0.515 309 L N 1.872 123.148 121.223 0.088 0.000 2.353 309 L HA 0.302 4.649 4.340 0.011 0.000 0.270 309 L C -1.424 175.547 176.870 0.169 0.000 1.003 309 L CA -1.405 53.545 54.840 0.185 0.000 0.862 309 L CB 1.605 43.895 42.059 0.385 0.000 1.221 309 L HN -0.217 nan 8.230 nan 0.000 0.430 310 P HA -0.151 nan 4.420 nan 0.000 0.219 310 P C 1.026 178.384 177.300 0.097 0.000 1.146 310 P CA 1.046 64.193 63.100 0.079 0.000 0.808 310 P CB 0.290 32.017 31.700 0.046 0.000 0.779 311 S N -2.605 113.158 115.700 0.105 0.000 2.597 311 S HA 0.067 4.544 4.470 0.011 0.000 0.224 311 S C 1.521 176.170 174.600 0.083 0.000 0.955 311 S CA -0.662 57.578 58.200 0.066 0.000 0.933 311 S CB -1.407 61.807 63.200 0.023 0.000 0.788 311 S HN -0.106 nan 8.310 nan 0.000 0.488 312 F N 4.021 123.985 119.950 0.022 0.000 2.045 312 F HA -0.278 4.255 4.527 0.011 0.000 0.297 312 F C 2.084 177.887 175.800 0.005 0.000 1.114 312 F CA 2.174 60.200 58.000 0.043 0.000 1.207 312 F CB -0.560 38.480 39.000 0.067 0.000 0.964 312 F HN 0.243 nan 8.300 nan 0.000 0.486 313 N N 0.083 118.890 118.700 0.178 0.000 2.104 313 N HA -0.213 4.533 4.740 0.011 0.000 0.190 313 N C 1.740 177.205 175.510 -0.075 0.000 1.024 313 N CA 1.665 54.749 53.050 0.058 0.000 0.853 313 N CB -0.605 37.937 38.487 0.091 0.000 1.008 313 N HN 0.403 nan 8.380 nan 0.000 0.424 314 Q N 1.017 120.775 119.800 -0.070 0.000 2.045 314 Q HA -0.025 4.322 4.340 0.011 0.000 0.206 314 Q C 2.246 178.120 176.000 -0.209 0.000 0.991 314 Q CA 1.089 56.824 55.803 -0.114 0.000 0.851 314 Q CB -0.397 28.288 28.738 -0.089 0.000 0.911 314 Q HN 0.443 nan 8.270 nan 0.000 0.418 315 I N 0.416 120.809 120.570 -0.294 0.000 2.113 315 I HA -0.278 3.899 4.170 0.011 0.000 0.238 315 I C 2.104 177.916 176.117 -0.509 0.000 1.070 315 I CA 1.123 62.138 61.300 -0.475 0.000 1.332 315 I CB -0.430 37.180 38.000 -0.651 0.000 1.044 315 I HN 0.187 nan 8.210 nan 0.000 0.402 316 E N 0.880 120.777 120.200 -0.506 0.000 2.114 316 E HA -0.285 4.072 4.350 0.011 0.000 0.199 316 E C 2.133 178.604 176.600 -0.215 0.000 1.008 316 E CA 1.547 57.739 56.400 -0.347 0.000 0.810 316 E CB -0.400 29.125 29.700 -0.292 0.000 0.739 316 E HN 0.622 nan 8.360 nan 0.000 0.456 317 Q N 0.028 119.716 119.800 -0.187 0.000 1.993 317 Q HA -0.153 4.194 4.340 0.011 0.000 0.202 317 Q C 2.303 178.216 176.000 -0.146 0.000 0.984 317 Q CA 1.131 56.857 55.803 -0.128 0.000 0.837 317 Q CB -0.136 28.539 28.738 -0.104 0.000 0.902 317 Q HN 0.225 nan 8.270 nan 0.000 0.423 318 Q N 0.293 119.975 119.800 -0.196 0.000 2.084 318 Q HA -0.143 4.203 4.340 0.011 0.000 0.202 318 Q C 2.025 177.892 176.000 -0.222 0.000 0.978 318 Q CA 0.991 56.669 55.803 -0.208 0.000 0.844 318 Q CB -0.244 28.337 28.738 -0.262 0.000 0.898 318 Q HN 0.311 nan 8.270 nan 0.000 0.426 319 I N 0.937 121.335 120.570 -0.287 0.000 3.291 319 I HA -0.054 4.123 4.170 0.011 0.000 0.279 319 I C 1.821 177.866 176.117 -0.119 0.000 1.294 319 I CA 0.257 61.405 61.300 -0.254 0.000 1.428 319 I CB -0.429 37.308 38.000 -0.439 0.000 1.070 319 I HN 0.057 nan 8.210 nan 0.000 0.478 320 A N -0.143 122.618 122.820 -0.099 0.000 1.884 320 A HA -0.361 3.966 4.320 0.011 0.000 0.219 320 A C 2.339 179.918 177.584 -0.009 0.000 1.197 320 A CA 2.375 54.390 52.037 -0.036 0.000 0.637 320 A CB -0.873 18.105 19.000 -0.036 0.000 0.827 320 A HN 0.602 nan 8.150 nan 0.000 0.450 321 Q N -1.355 118.432 119.800 -0.021 0.000 2.167 321 Q HA -0.191 4.155 4.340 0.011 0.000 0.202 321 Q C 2.192 178.202 176.000 0.017 0.000 0.970 321 Q CA 1.537 57.340 55.803 -0.000 0.000 0.855 321 Q CB -0.045 28.687 28.738 -0.010 0.000 0.911 321 Q HN 0.513 nan 8.270 nan 0.000 0.438 322 R N 0.335 120.838 120.500 0.005 0.000 2.189 322 R HA -0.086 4.260 4.340 0.011 0.000 0.223 322 R C 1.808 178.152 176.300 0.074 0.000 1.092 322 R CA 1.582 57.702 56.100 0.033 0.000 0.989 322 R CB 0.035 30.347 30.300 0.019 0.000 0.876 322 R HN 0.395 nan 8.270 nan 0.000 0.457 323 Q N -0.698 119.146 119.800 0.075 0.000 2.137 323 Q HA -0.022 4.324 4.340 0.011 0.000 0.198 323 Q C 2.009 178.072 176.000 0.105 0.000 0.960 323 Q CA 1.303 57.172 55.803 0.110 0.000 0.847 323 Q CB 0.025 28.830 28.738 0.112 0.000 0.915 323 Q HN 0.284 nan 8.270 nan 0.000 0.448 324 R N 0.673 121.221 120.500 0.079 0.000 2.096 324 R HA -0.155 4.192 4.340 0.011 0.000 0.235 324 R C 2.249 178.601 176.300 0.086 0.000 1.127 324 R CA 1.389 57.535 56.100 0.076 0.000 0.968 324 R CB -0.149 30.184 30.300 0.056 0.000 0.861 324 R HN 0.329 nan 8.270 nan 0.000 0.440 325 Q N 0.131 119.982 119.800 0.085 0.000 2.046 325 Q HA -0.129 4.217 4.340 0.011 0.000 0.200 325 Q C 2.260 178.332 176.000 0.120 0.000 0.975 325 Q CA 1.096 56.958 55.803 0.098 0.000 0.836 325 Q CB -0.163 28.627 28.738 0.086 0.000 0.896 325 Q HN 0.245 nan 8.270 nan 0.000 0.428 326 R N 0.295 120.870 120.500 0.125 0.000 2.105 326 R HA -0.140 4.207 4.340 0.011 0.000 0.239 326 R C 1.884 178.285 176.300 0.169 0.000 1.135 326 R CA 1.714 57.904 56.100 0.149 0.000 0.967 326 R CB -0.193 30.206 30.300 0.166 0.000 0.861 326 R HN 0.217 nan 8.270 nan 0.000 0.442 327 T N 1.140 115.787 114.554 0.155 0.000 2.777 327 T HA -0.112 4.244 4.350 0.011 0.000 0.266 327 T C 1.862 176.649 174.700 0.145 0.000 1.040 327 T CA 1.692 63.883 62.100 0.152 0.000 1.141 327 T CB -0.072 68.869 68.868 0.122 0.000 0.868 327 T HN 0.266 nan 8.240 nan 0.000 0.444 328 M N 0.449 120.126 119.600 0.129 0.000 2.132 328 M HA 0.030 4.516 4.480 0.011 0.000 0.263 328 M C 2.154 178.547 176.300 0.156 0.000 1.065 328 M CA 1.509 56.883 55.300 0.124 0.000 1.122 328 M CB -0.547 32.116 32.600 0.107 0.000 1.365 328 M HN 0.185 nan 8.290 nan 0.000 0.411 329 L N -0.404 120.925 121.223 0.176 0.000 2.156 329 L HA -0.179 4.168 4.340 0.011 0.000 0.208 329 L C 2.083 179.094 176.870 0.234 0.000 1.095 329 L CA 0.805 55.769 54.840 0.207 0.000 0.770 329 L CB -0.689 41.493 42.059 0.205 0.000 0.914 329 L HN 0.270 nan 8.230 nan 0.000 0.439 330 D N -0.074 120.473 120.400 0.245 0.000 2.144 330 D HA -0.236 4.411 4.640 0.011 0.000 0.200 330 D C 2.206 178.766 176.300 0.435 0.000 0.978 330 D CA 1.128 55.318 54.000 0.317 0.000 0.833 330 D CB 0.157 41.154 40.800 0.328 0.000 0.961 330 D HN 0.263 nan 8.370 nan 0.000 0.470 331 Q N -0.786 119.206 119.800 0.320 0.000 2.079 331 Q HA -0.145 4.201 4.340 0.011 0.000 0.200 331 Q C 2.121 178.288 176.000 0.278 0.000 0.974 331 Q CA 0.959 56.931 55.803 0.282 0.000 0.840 331 Q CB -0.193 28.617 28.738 0.120 0.000 0.898 331 Q HN 0.235 nan 8.270 nan 0.000 0.430 332 M N 0.507 120.238 119.600 0.218 0.000 2.106 332 M HA -0.162 4.325 4.480 0.011 0.000 0.259 332 M C 1.871 178.292 176.300 0.202 0.000 1.068 332 M CA 1.491 56.904 55.300 0.188 0.000 1.100 332 M CB -0.530 32.182 32.600 0.186 0.000 1.351 332 M HN 0.217 nan 8.290 nan 0.000 0.404 333 V N 0.267 120.312 119.914 0.218 0.000 2.490 333 V HA -0.274 3.853 4.120 0.011 0.000 0.250 333 V C 2.194 178.279 176.094 -0.016 0.000 1.061 333 V CA 1.637 64.014 62.300 0.129 0.000 1.064 333 V CB -1.169 30.718 31.823 0.107 0.000 0.670 333 V HN 0.289 nan 8.190 nan 0.000 0.461 334 F N 0.704 120.672 119.950 0.030 0.000 2.084 334 F HA -0.109 4.424 4.527 0.010 0.000 0.296 334 F C 2.649 178.413 175.800 -0.061 0.000 1.111 334 F CA 1.700 59.681 58.000 -0.031 0.000 1.224 334 F CB -0.441 38.532 39.000 -0.046 0.000 0.991 334 F HN -0.036 nan 8.300 nan 0.000 0.471 335 R N -0.284 120.312 120.500 0.161 0.000 2.096 335 R HA -0.154 4.192 4.340 0.011 0.000 0.235 335 R C 2.051 178.400 176.300 0.082 0.000 1.127 335 R CA 1.185 57.334 56.100 0.082 0.000 0.968 335 R CB -0.769 29.574 30.300 0.073 0.000 0.861 335 R HN 0.222 nan 8.270 nan 0.000 0.440 336 L N 1.077 122.356 121.223 0.093 0.000 2.046 336 L HA -0.150 4.196 4.340 0.011 0.000 0.208 336 L C 2.043 178.938 176.870 0.042 0.000 1.077 336 L CA 2.274 57.192 54.840 0.129 0.000 0.747 336 L CB -0.704 41.477 42.059 0.204 0.000 0.896 336 L HN 0.280 nan 8.230 nan 0.000 0.432 337 T N -3.646 110.799 114.554 -0.183 0.000 3.148 337 T HA 0.366 4.722 4.350 0.011 0.000 0.253 337 T C 1.299 175.995 174.700 -0.007 0.000 1.134 337 T CA 0.338 62.212 62.100 -0.377 0.000 1.051 337 T CB -0.111 68.414 68.868 -0.572 0.000 0.959 337 T HN 0.661 nan 8.240 nan 0.000 0.525 338 G N 0.763 109.608 108.800 0.074 0.000 2.159 338 G HA2 -0.097 3.869 3.960 0.011 0.000 0.170 338 G HA3 -0.097 3.869 3.960 0.011 0.000 0.170 338 G C -0.270 174.693 174.900 0.104 0.000 1.007 338 G CA -0.427 44.769 45.100 0.159 0.000 0.672 338 G HN 0.508 nan 8.290 nan 0.000 0.507 339 L N 1.556 122.801 121.223 0.036 0.000 2.387 339 L HA 0.448 4.794 4.340 0.011 0.000 0.259 339 L C 0.312 177.025 176.870 -0.261 0.000 1.050 339 L CA -0.345 54.441 54.840 -0.089 0.000 0.922 339 L CB 1.482 43.562 42.059 0.034 0.000 1.280 339 L HN 0.183 nan 8.230 nan 0.000 0.449 340 D N 2.127 122.360 120.400 -0.279 0.000 2.982 340 D HA 0.212 4.859 4.640 0.011 0.000 0.238 340 D C 0.160 176.153 176.300 -0.511 0.000 1.168 340 D CA -0.191 53.667 54.000 -0.237 0.000 0.947 340 D CB 0.050 40.846 40.800 -0.007 0.000 1.147 340 D HN 0.272 nan 8.370 nan 0.000 0.450 341 L N -1.442 119.308 121.223 -0.788 0.000 2.569 341 L HA 0.591 4.937 4.340 0.011 0.000 0.247 341 L C -0.027 176.652 176.870 -0.318 0.000 1.135 341 L CA -0.751 53.652 54.840 -0.728 0.000 0.812 341 L CB 0.337 41.866 42.059 -0.885 0.000 1.431 341 L HN -0.225 nan 8.230 nan 0.000 0.499 342 K N 0.498 120.767 120.400 -0.217 0.000 2.578 342 K HA 0.545 4.872 4.320 0.011 0.000 0.250 342 K C -1.195 175.337 176.600 -0.114 0.000 0.955 342 K CA -0.501 55.714 56.287 -0.120 0.000 0.825 342 K CB 1.035 33.502 32.500 -0.054 0.000 1.151 342 K HN 0.707 nan 8.250 nan 0.000 0.432 343 L N 2.367 123.526 121.223 -0.107 0.000 2.476 343 L HA 0.322 4.668 4.340 0.011 0.000 0.264 343 L C 0.536 177.389 176.870 -0.029 0.000 1.224 343 L CA -0.443 54.349 54.840 -0.081 0.000 0.821 343 L CB 0.780 42.814 42.059 -0.042 0.000 1.101 343 L HN 0.715 nan 8.230 nan 0.000 0.488 344 A N 0.834 123.645 122.820 -0.015 0.000 2.306 344 A HA 0.553 4.880 4.320 0.011 0.000 0.314 344 A C 0.583 178.184 177.584 0.029 0.000 1.164 344 A CA 0.247 52.286 52.037 0.004 0.000 0.822 344 A CB 1.205 20.203 19.000 -0.003 0.000 1.130 344 A HN 0.853 nan 8.150 nan 0.000 0.496 345 Q N 0.009 119.829 119.800 0.034 0.000 1.706 345 Q HA 0.223 4.569 4.340 0.011 0.000 0.379 345 Q C 0.966 177.002 176.000 0.061 0.000 1.032 345 Q CA 3.797 59.628 55.803 0.047 0.000 0.883 345 Q CB -1.229 27.534 28.738 0.042 0.000 0.968 345 Q HN 2.578 nan 8.270 nan 0.000 0.403 346 Y N -5.767 114.570 120.300 0.061 0.000 2.814 346 Y HA 0.566 5.123 4.550 0.011 0.000 0.348 346 Y C 1.657 177.598 175.900 0.069 0.000 1.245 346 Y CA 1.123 59.268 58.100 0.076 0.000 1.086 346 Y CB -0.226 38.284 38.460 0.085 0.000 1.373 346 Y HN 1.905 nan 8.280 nan 0.000 0.451 347 Q N -0.935 118.913 119.800 0.081 0.000 2.451 347 Q HA -0.431 3.916 4.340 0.011 0.000 0.176 347 Q C 1.590 177.635 176.000 0.075 0.000 2.730 347 Q CA 3.770 59.620 55.803 0.078 0.000 0.574 347 Q CB -2.378 26.399 28.738 0.064 0.000 0.548 347 Q HN 1.640 nan 8.270 nan 0.000 0.607 348 Q N -0.912 118.925 119.800 0.062 0.000 2.029 348 Q HA -0.094 4.252 4.340 0.011 0.000 0.209 348 Q C 2.425 178.464 176.000 0.065 0.000 0.999 348 Q CA 2.545 58.380 55.803 0.054 0.000 0.857 348 Q CB -0.563 28.194 28.738 0.032 0.000 0.926 348 Q HN 0.994 nan 8.270 nan 0.000 0.415 349 G N -0.616 108.212 108.800 0.047 0.000 2.511 349 G HA2 -0.184 3.783 3.960 0.011 0.000 0.217 349 G HA3 -0.184 3.783 3.960 0.011 0.000 0.217 349 G C 1.062 176.025 174.900 0.105 0.000 1.133 349 G CA 0.321 45.441 45.100 0.033 0.000 0.792 349 G HN 0.319 nan 8.290 nan 0.000 0.539 350 E N 0.061 120.327 120.200 0.110 0.000 2.122 350 E HA 0.143 4.500 4.350 0.011 0.000 0.190 350 E C 2.737 179.397 176.600 0.101 0.000 0.977 350 E CA 0.514 56.986 56.400 0.119 0.000 0.820 350 E CB 0.030 29.806 29.700 0.126 0.000 0.770 350 E HN 0.321 nan 8.360 nan 0.000 0.462 351 A N 0.621 123.498 122.820 0.094 0.000 2.015 351 A HA -0.142 4.185 4.320 0.011 0.000 0.219 351 A C 1.860 179.465 177.584 0.035 0.000 1.163 351 A CA 0.736 52.809 52.037 0.061 0.000 0.646 351 A CB -0.664 18.372 19.000 0.060 0.000 0.806 351 A HN 0.450 nan 8.150 nan 0.000 0.448 352 F N 0.907 120.819 119.950 -0.063 0.000 2.051 352 F HA -0.183 4.351 4.527 0.011 0.000 0.296 352 F C 2.131 177.835 175.800 -0.160 0.000 1.122 352 F CA 2.319 60.252 58.000 -0.112 0.000 1.201 352 F CB -0.415 38.490 39.000 -0.159 0.000 0.978 352 F HN 0.018 nan 8.300 nan 0.000 0.472 353 V N 1.209 121.090 119.914 -0.054 0.000 2.407 353 V HA -0.304 3.823 4.120 0.011 0.000 0.248 353 V C 2.194 178.082 176.094 -0.344 0.000 1.055 353 V CA 2.073 64.212 62.300 -0.268 0.000 1.049 353 V CB -0.957 30.738 31.823 -0.213 0.000 0.662 353 V HN 0.408 nan 8.190 nan 0.000 0.455 354 N N 0.474 119.080 118.700 -0.157 0.000 2.142 354 N HA -0.090 4.656 4.740 0.011 0.000 0.186 354 N C 1.921 177.367 175.510 -0.106 0.000 1.023 354 N CA 1.609 54.621 53.050 -0.063 0.000 0.852 354 N CB -0.469 38.047 38.487 0.048 0.000 0.998 354 N HN 0.487 nan 8.380 nan 0.000 0.424 355 A N 1.283 124.015 122.820 -0.147 0.000 1.834 355 A HA -0.161 4.166 4.320 0.011 0.000 0.216 355 A C 2.479 179.954 177.584 -0.183 0.000 1.203 355 A CA 2.639 54.585 52.037 -0.151 0.000 0.621 355 A CB -1.339 17.555 19.000 -0.175 0.000 0.841 355 A HN 0.194 nan 8.150 nan 0.000 0.446 356 V N -1.246 118.487 119.914 -0.302 0.000 2.380 356 V HA -0.210 3.916 4.120 0.011 0.000 0.251 356 V C 2.152 178.185 176.094 -0.101 0.000 1.063 356 V CA 2.625 64.810 62.300 -0.191 0.000 1.055 356 V CB -1.245 30.451 31.823 -0.212 0.000 0.657 356 V HN 0.246 nan 8.190 nan 0.000 0.455 357 V N 0.989 120.812 119.914 -0.153 0.000 2.407 357 V HA -0.151 3.976 4.120 0.011 0.000 0.248 357 V C 3.119 179.194 176.094 -0.031 0.000 1.055 357 V CA 2.198 64.445 62.300 -0.089 0.000 1.049 357 V CB -1.317 30.386 31.823 -0.199 0.000 0.662 357 V HN 0.739 nan 8.190 nan 0.000 0.455 358 A N -0.105 122.689 122.820 -0.043 0.000 1.898 358 A HA -0.036 4.290 4.320 0.011 0.000 0.216 358 A C 2.371 179.929 177.584 -0.043 0.000 1.181 358 A CA 1.860 53.883 52.037 -0.022 0.000 0.620 358 A CB -0.651 18.336 19.000 -0.022 0.000 0.819 358 A HN 0.554 nan 8.150 nan 0.000 0.442 359 A N -1.881 120.895 122.820 -0.073 0.000 2.014 359 A HA 0.036 4.363 4.320 0.011 0.000 0.218 359 A C 2.066 179.563 177.584 -0.144 0.000 1.163 359 A CA 1.254 53.230 52.037 -0.101 0.000 0.652 359 A CB -0.055 18.874 19.000 -0.117 0.000 0.808 359 A HN 0.335 nan 8.150 nan 0.000 0.449 360 R N -2.319 118.101 120.500 -0.134 0.000 2.551 360 R HA 0.283 4.629 4.340 0.011 0.000 0.316 360 R C 0.510 176.805 176.300 -0.007 0.000 0.934 360 R CA 0.768 56.764 56.100 -0.173 0.000 1.117 360 R CB 0.341 30.314 30.300 -0.545 0.000 1.626 360 R HN 0.815 nan 8.270 nan 0.000 0.513 361 G N 1.467 110.289 108.800 0.037 0.000 2.619 361 G HA2 -0.184 3.783 3.960 0.011 0.000 0.686 361 G HA3 -0.184 3.783 3.960 0.011 0.000 0.686 361 G C 0.398 175.372 174.900 0.124 0.000 1.256 361 G CA -0.489 44.660 45.100 0.082 0.000 0.826 361 G HN -0.043 nan 8.290 nan 0.000 0.619 362 I N 0.717 121.351 120.570 0.107 0.000 2.286 362 I HA -0.113 4.064 4.170 0.011 0.000 0.248 362 I C 2.769 178.964 176.117 0.130 0.000 1.115 362 I CA 2.523 63.877 61.300 0.090 0.000 1.392 362 I CB -0.770 37.255 38.000 0.042 0.000 1.065 362 I HN 0.809 nan 8.210 nan 0.000 0.418 363 Q N -0.368 119.509 119.800 0.128 0.000 2.061 363 Q HA -0.278 4.068 4.340 0.011 0.000 0.204 363 Q C 2.368 178.475 176.000 0.178 0.000 0.984 363 Q CA 1.943 57.826 55.803 0.133 0.000 0.846 363 Q CB -0.267 28.539 28.738 0.113 0.000 0.902 363 Q HN 0.387 nan 8.270 nan 0.000 0.421 364 F N 0.489 120.491 119.950 0.087 0.000 2.075 364 F HA -0.172 4.361 4.527 0.011 0.000 0.297 364 F C 2.101 178.034 175.800 0.221 0.000 1.113 364 F CA 1.613 59.679 58.000 0.111 0.000 1.218 364 F CB -0.511 38.540 39.000 0.085 0.000 0.984 364 F HN 0.137 nan 8.300 nan 0.000 0.472 365 A N -0.397 122.663 122.820 0.399 0.000 2.024 365 A HA -0.215 4.112 4.320 0.011 0.000 0.220 365 A C 2.234 179.997 177.584 0.298 0.000 1.164 365 A CA 1.859 54.091 52.037 0.325 0.000 0.643 365 A CB -1.381 17.694 19.000 0.125 0.000 0.806 365 A HN 0.532 nan 8.150 nan 0.000 0.451 366 S N -0.483 115.377 115.700 0.266 0.000 2.515 366 S HA -0.087 4.389 4.470 0.011 0.000 0.231 366 S C 1.708 176.377 174.600 0.116 0.000 0.987 366 S CA 0.759 59.116 58.200 0.262 0.000 0.936 366 S CB -0.443 62.913 63.200 0.259 0.000 0.766 366 S HN 0.632 nan 8.310 nan 0.000 0.528 367 R N 0.320 120.855 120.500 0.058 0.000 2.193 367 R HA 0.068 4.414 4.340 0.011 0.000 0.229 367 R C 2.086 178.398 176.300 0.021 0.000 1.110 367 R CA 0.942 57.029 56.100 -0.023 0.000 0.988 367 R CB -0.641 29.513 30.300 -0.243 0.000 0.871 367 R HN 0.399 nan 8.270 nan 0.000 0.458 368 V N -0.271 119.660 119.914 0.029 0.000 2.867 368 V HA -0.184 3.943 4.120 0.011 0.000 0.260 368 V C 0.690 176.585 176.094 -0.333 0.000 1.099 368 V CA 1.412 63.628 62.300 -0.139 0.000 1.122 368 V CB -0.242 31.310 31.823 -0.452 0.000 0.708 368 V HN 0.439 nan 8.190 nan 0.000 0.490 369 W N -0.433 120.781 121.300 -0.143 0.000 3.290 369 W HA 0.194 4.860 4.660 0.011 0.000 0.287 369 W C 2.060 178.663 176.519 0.140 0.000 1.288 369 W CA -0.201 56.986 57.345 -0.263 0.000 1.725 369 W CB 0.208 29.005 29.460 -1.106 0.000 1.103 369 W HN 0.254 nan 8.180 nan 0.000 0.670 370 E N 0.860 121.198 120.200 0.230 0.000 2.158 370 E HA -0.033 4.324 4.350 0.011 0.000 0.191 370 E C 0.927 177.463 176.600 -0.106 0.000 0.982 370 E CA 0.711 57.197 56.400 0.143 0.000 0.823 370 E CB 0.157 29.857 29.700 0.000 0.000 0.766 370 E HN 0.252 nan 8.360 nan 0.000 0.468 371 R N -2.106 118.079 120.500 -0.524 0.000 2.765 371 R HA 0.172 4.518 4.340 0.011 0.000 0.277 371 R C -2.908 172.451 176.300 -1.567 0.000 1.028 371 R CA -1.370 53.958 56.100 -1.287 0.000 0.860 371 R CB 0.502 30.409 30.300 -0.656 0.000 1.270 371 R HN -0.309 nan 8.270 nan 0.000 0.484 372 P HA -0.127 nan 4.420 nan 0.000 0.218 372 P C 0.535 177.401 177.300 -0.724 0.000 1.148 372 P CA 1.212 63.495 63.100 -1.360 0.000 0.822 372 P CB 0.206 31.015 31.700 -1.485 0.000 0.784 373 E N -0.918 118.952 120.200 -0.550 0.000 2.204 373 E HA -0.127 4.230 4.350 0.011 0.000 0.195 373 E C 1.290 177.761 176.600 -0.216 0.000 0.990 373 E CA 0.882 57.097 56.400 -0.308 0.000 0.821 373 E CB -0.865 28.682 29.700 -0.255 0.000 0.750 373 E HN 0.198 nan 8.360 nan 0.000 0.477 374 N N -0.372 118.182 118.700 -0.243 0.000 2.398 374 N HA 0.046 4.792 4.740 0.011 0.000 0.188 374 N C -0.260 175.335 175.510 0.141 0.000 1.122 374 N CA 0.155 53.166 53.050 -0.065 0.000 0.866 374 N CB 0.141 38.570 38.487 -0.097 0.000 0.970 374 N HN 0.164 nan 8.380 nan 0.000 0.462 375 L N 2.287 123.484 121.223 -0.042 0.000 2.397 375 L HA 0.260 4.606 4.340 0.011 0.000 0.271 375 L C -1.772 175.094 176.870 -0.007 0.000 1.148 375 L CA -1.515 53.275 54.840 -0.084 0.000 0.825 375 L CB 0.574 42.565 42.059 -0.113 0.000 1.117 375 L HN -0.066 nan 8.230 nan 0.000 0.456 376 P HA 0.120 nan 4.420 nan 0.000 0.276 376 P C -0.715 176.505 177.300 -0.134 0.000 1.252 376 P CA -0.510 62.503 63.100 -0.145 0.000 0.802 376 P CB 1.260 32.506 31.700 -0.756 0.000 1.035 377 S N 1.110 116.791 115.700 -0.032 0.000 2.655 377 S HA 0.216 4.693 4.470 0.011 0.000 0.265 377 S C 1.587 176.145 174.600 -0.071 0.000 1.240 377 S CA -0.680 57.505 58.200 -0.026 0.000 0.986 377 S CB 0.085 63.297 63.200 0.019 0.000 0.985 377 S HN 0.261 nan 8.310 nan 0.000 0.562 378 M N 0.971 120.545 119.600 -0.043 0.000 2.213 378 M HA -0.082 4.405 4.480 0.011 0.000 0.263 378 M C 1.498 177.785 176.300 -0.020 0.000 1.062 378 M CA 1.289 56.560 55.300 -0.048 0.000 1.105 378 M CB -1.626 30.962 32.600 -0.020 0.000 1.385 378 M HN 0.729 nan 8.290 nan 0.000 0.417 379 D N 0.237 120.642 120.400 0.008 0.000 2.084 379 D HA -0.165 4.482 4.640 0.011 0.000 0.194 379 D C 1.837 178.177 176.300 0.068 0.000 0.990 379 D CA 1.275 55.297 54.000 0.037 0.000 0.826 379 D CB -0.090 40.736 40.800 0.043 0.000 0.971 379 D HN 0.483 nan 8.370 nan 0.000 0.453 380 E N 0.305 120.555 120.200 0.083 0.000 2.160 380 E HA -0.126 4.230 4.350 0.011 0.000 0.195 380 E C 2.304 179.035 176.600 0.219 0.000 0.991 380 E CA 0.295 56.808 56.400 0.187 0.000 0.810 380 E CB 0.022 29.876 29.700 0.256 0.000 0.742 380 E HN 0.329 nan 8.360 nan 0.000 0.466 381 I N 0.692 121.256 120.570 -0.011 0.000 2.394 381 I HA -0.240 3.937 4.170 0.011 0.000 0.251 381 I C 2.276 178.488 176.117 0.157 0.000 1.136 381 I CA 0.982 62.264 61.300 -0.029 0.000 1.425 381 I CB -0.028 37.836 38.000 -0.225 0.000 1.079 381 I HN 0.040 nan 8.210 nan 0.000 0.425 382 R N 1.074 121.633 120.500 0.099 0.000 2.200 382 R HA 0.026 4.373 4.340 0.011 0.000 0.208 382 R C -0.176 176.186 176.300 0.104 0.000 1.033 382 R CA 0.627 56.779 56.100 0.087 0.000 1.000 382 R CB -0.059 30.274 30.300 0.055 0.000 0.906 382 R HN 0.447 nan 8.270 nan 0.000 0.462 383 N N -0.057 118.726 118.700 0.138 0.000 2.675 383 N HA 0.154 4.901 4.740 0.011 0.000 0.254 383 N C -2.731 172.889 175.510 0.184 0.000 1.224 383 N CA -1.531 51.593 53.050 0.124 0.000 0.777 383 N CB 1.713 40.257 38.487 0.093 0.000 1.256 383 N HN -0.256 nan 8.380 nan 0.000 0.531 384 P HA -0.148 nan 4.420 nan 0.000 0.216 384 P C 1.717 179.124 177.300 0.178 0.000 1.150 384 P CA 1.805 64.967 63.100 0.103 0.000 0.843 384 P CB 0.162 31.716 31.700 -0.243 0.000 0.787 385 G N -0.111 108.750 108.800 0.102 0.000 2.556 385 G HA2 -0.378 3.588 3.960 0.011 0.000 0.220 385 G HA3 -0.378 3.588 3.960 0.011 0.000 0.220 385 G C 1.660 176.640 174.900 0.135 0.000 1.156 385 G CA 1.015 46.170 45.100 0.091 0.000 0.766 385 G HN 0.298 nan 8.290 nan 0.000 0.583 386 Q N -1.188 118.706 119.800 0.157 0.000 2.112 386 Q HA -0.208 4.139 4.340 0.011 0.000 0.206 386 Q C 2.235 178.358 176.000 0.205 0.000 0.987 386 Q CA 1.724 57.617 55.803 0.151 0.000 0.858 386 Q CB -0.261 28.567 28.738 0.150 0.000 0.905 386 Q HN 0.732 nan 8.270 nan 0.000 0.420 387 W N 0.678 122.053 121.300 0.126 0.000 2.381 387 W HA -0.127 4.539 4.660 0.010 0.000 0.301 387 W C 1.644 178.257 176.519 0.155 0.000 1.205 387 W CA 1.192 58.635 57.345 0.163 0.000 1.285 387 W CB -0.172 29.494 29.460 0.343 0.000 1.133 387 W HN 0.061 nan 8.180 nan 0.000 0.521 388 I N -0.185 120.588 120.570 0.338 0.000 2.226 388 I HA -0.332 3.845 4.170 0.011 0.000 0.245 388 I C 2.115 178.256 176.117 0.041 0.000 1.100 388 I CA 1.357 62.786 61.300 0.216 0.000 1.374 388 I CB -1.045 37.040 38.000 0.141 0.000 1.057 388 I HN -0.166 nan 8.210 nan 0.000 0.413 389 V N 0.827 120.751 119.914 0.017 0.000 2.261 389 V HA -0.293 3.834 4.120 0.011 0.000 0.246 389 V C 2.640 178.693 176.094 -0.067 0.000 1.047 389 V CA 2.054 64.344 62.300 -0.017 0.000 1.015 389 V CB -0.778 31.044 31.823 -0.002 0.000 0.642 389 V HN 0.412 nan 8.190 nan 0.000 0.446 390 R N -0.624 119.813 120.500 -0.105 0.000 2.105 390 R HA -0.184 4.163 4.340 0.011 0.000 0.239 390 R C 2.247 178.390 176.300 -0.262 0.000 1.135 390 R CA 1.654 57.656 56.100 -0.162 0.000 0.967 390 R CB -0.177 30.029 30.300 -0.158 0.000 0.861 390 R HN 0.298 nan 8.270 nan 0.000 0.442 391 M N 0.728 120.076 119.600 -0.421 0.000 2.229 391 M HA -0.107 4.380 4.480 0.011 0.000 0.264 391 M C 1.268 177.438 176.300 -0.217 0.000 1.063 391 M CA 1.366 56.371 55.300 -0.491 0.000 1.114 391 M CB -0.673 31.380 32.600 -0.911 0.000 1.387 391 M HN 0.083 nan 8.290 nan 0.000 0.420 392 D N 0.146 120.505 120.400 -0.068 0.000 2.144 392 D HA -0.092 4.554 4.640 0.011 0.000 0.200 392 D C 1.989 178.262 176.300 -0.045 0.000 0.978 392 D CA 0.980 54.980 54.000 -0.001 0.000 0.833 392 D CB -0.154 40.652 40.800 0.011 0.000 0.961 392 D HN 0.349 nan 8.370 nan 0.000 0.470 393 R N 0.503 120.960 120.500 -0.071 0.000 2.316 393 R HA 0.064 4.410 4.340 0.011 0.000 0.202 393 R C 0.863 177.116 176.300 -0.078 0.000 1.029 393 R CA 0.222 56.283 56.100 -0.066 0.000 1.018 393 R CB 0.156 30.417 30.300 -0.065 0.000 0.888 393 R HN 0.298 nan 8.270 nan 0.000 0.471 394 E N -0.180 119.956 120.200 -0.106 0.000 2.369 394 E HA 0.339 4.696 4.350 0.011 0.000 0.255 394 E C 0.305 176.855 176.600 -0.084 0.000 1.172 394 E CA 0.262 56.595 56.400 -0.112 0.000 0.932 394 E CB 0.904 30.507 29.700 -0.161 0.000 1.040 394 E HN 0.238 nan 8.360 nan 0.000 0.454 395 G N 0.000 108.754 108.800 -0.077 0.000 5.446 395 G HA2 0.000 3.967 3.960 0.011 0.000 0.244 395 G HA3 0.000 3.967 3.960 0.011 0.000 0.244 395 G CA 0.000 45.066 45.100 -0.057 0.000 0.502 395 G HN 0.000 nan 8.290 nan 0.000 0.925