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 1uum_1_A DATA FIRST_RESID 38 DATA SEQUENCE YAEYLMPGLQ RLLDPESAHR LAVRVTSLGL LPRATFQDSD MLEVKVLGHK DATA SEQUENCE FRNPVGIAAG FDKNGEAVDG LYKLGFGFVE VGSVTPQPQE GNPRPRVFRL DATA SEQUENCE PEDQAVINRY GFNSHGLSVV EHRLRARQQK QAQLTADGLP LGINLGKNKT DATA SEQUENCE SEDAAADYAE GVRTLGPLAD YLVVNVSSXX XXXXXXXQGK TELRHLLSKV DATA SEQUENCE LQERDALKGT RKPAVLVKIA PDLTAQDKED IASVARELGI DGLIVTNTTV DATA SEQUENCE SRPVGLQGAL RSETGGLSGK PLRDLSTQTI REMYALTQGR IPIIGVGGVS DATA SEQUENCE SGQDALEKIQ AGASLVQLYT ALIFLGPPVV VRVKRELEAL LKERGFTTVT DATA SEQUENCE DAIGADHRR 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 38 Y HA 0.000 nan 4.550 nan 0.000 0.201 38 Y C 0.000 175.991 175.900 0.151 0.000 1.272 38 Y CA 0.000 58.206 58.100 0.177 0.000 1.940 38 Y CB 0.000 38.552 38.460 0.154 0.000 1.050 39 A N 1.480 124.448 122.820 0.245 0.000 1.852 39 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 39 A C 1.328 178.987 177.584 0.125 0.000 1.215 39 A CA 1.987 54.112 52.037 0.148 0.000 0.641 39 A CB -0.935 18.132 19.000 0.111 0.000 0.838 39 A HN 0.528 nan 8.150 nan 0.000 0.450 40 E N -2.932 117.344 120.200 0.125 0.000 2.416 40 E HA 0.275 4.625 4.350 -0.000 0.000 0.254 40 E C 0.511 177.232 176.600 0.203 0.000 1.241 40 E CA 0.010 56.479 56.400 0.116 0.000 0.969 40 E CB 0.172 29.927 29.700 0.093 0.000 0.999 40 E HN 1.069 nan 8.360 nan 0.000 0.481 41 Y N -0.594 119.712 120.300 0.011 0.000 2.736 41 Y HA -0.421 4.129 4.550 -0.000 0.000 0.480 41 Y C 0.846 176.758 175.900 0.021 0.000 1.192 41 Y CA 2.076 60.178 58.100 0.002 0.000 2.762 41 Y CB -1.546 36.896 38.460 -0.030 0.000 1.005 41 Y HN 0.518 nan 8.280 nan 0.000 0.560 42 L N -0.495 120.465 121.223 -0.439 0.000 2.068 42 L HA -0.111 4.229 4.340 -0.000 0.000 0.204 42 L C 2.474 179.232 176.870 -0.186 0.000 1.076 42 L CA 1.642 56.203 54.840 -0.466 0.000 0.753 42 L CB -0.424 41.498 42.059 -0.229 0.000 0.910 42 L HN 0.537 nan 8.230 nan 0.000 0.439 43 M N 0.335 119.894 119.600 -0.070 0.000 2.108 43 M HA -0.119 4.361 4.480 -0.000 0.000 0.261 43 M C -0.691 175.593 176.300 -0.026 0.000 1.066 43 M CA 2.137 57.423 55.300 -0.023 0.000 1.107 43 M CB -1.194 31.417 32.600 0.018 0.000 1.356 43 M HN -0.074 nan 8.290 nan 0.000 0.406 44 P HA -0.048 nan 4.420 nan 0.000 0.217 44 P C 1.407 178.691 177.300 -0.027 0.000 1.150 44 P CA 1.814 64.908 63.100 -0.011 0.000 0.832 44 P CB -0.409 31.296 31.700 0.008 0.000 0.787 45 G N -0.056 108.704 108.800 -0.066 0.000 2.434 45 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.214 45 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.214 45 G C 1.487 176.359 174.900 -0.046 0.000 1.202 45 G CA 0.493 45.554 45.100 -0.065 0.000 0.788 45 G HN 0.195 nan 8.290 nan 0.000 0.539 46 L N 0.308 121.499 121.223 -0.053 0.000 2.051 46 L HA -0.250 4.090 4.340 -0.000 0.000 0.214 46 L C 3.003 179.863 176.870 -0.016 0.000 1.076 46 L CA 1.867 56.688 54.840 -0.031 0.000 0.758 46 L CB -0.541 41.502 42.059 -0.027 0.000 0.890 46 L HN 0.377 nan 8.230 nan 0.000 0.433 47 Q N 0.431 120.224 119.800 -0.013 0.000 2.077 47 Q HA -0.297 4.043 4.340 -0.000 0.000 0.206 47 Q C 2.352 178.346 176.000 -0.010 0.000 0.989 47 Q CA 2.006 57.803 55.803 -0.009 0.000 0.853 47 Q CB -0.049 28.681 28.738 -0.014 0.000 0.907 47 Q HN 0.331 nan 8.270 nan 0.000 0.418 48 R N -0.292 120.204 120.500 -0.007 0.000 2.148 48 R HA -0.014 4.326 4.340 -0.000 0.000 0.227 48 R C 1.923 178.224 176.300 0.002 0.000 1.103 48 R CA 0.870 56.971 56.100 0.003 0.000 0.983 48 R CB 0.045 30.350 30.300 0.008 0.000 0.874 48 R HN 0.323 nan 8.270 nan 0.000 0.451 49 L N 0.305 121.526 121.223 -0.004 0.000 2.591 49 L HA 0.179 4.519 4.340 -0.000 0.000 0.228 49 L C 0.085 176.954 176.870 -0.003 0.000 1.133 49 L CA -0.002 54.836 54.840 -0.003 0.000 0.880 49 L CB 0.148 42.203 42.059 -0.008 0.000 1.033 49 L HN 0.072 nan 8.230 nan 0.000 0.450 50 L N -0.261 120.960 121.223 -0.004 0.000 2.333 50 L HA 0.334 4.674 4.340 -0.000 0.000 0.269 50 L C -0.342 176.522 176.870 -0.009 0.000 1.010 50 L CA -1.063 53.774 54.840 -0.005 0.000 0.818 50 L CB 1.776 43.835 42.059 -0.001 0.000 1.306 50 L HN 0.068 nan 8.230 nan 0.000 0.430 51 D N 1.415 121.806 120.400 -0.015 0.000 2.362 51 D HA 0.057 4.697 4.640 -0.000 0.000 0.242 51 D C -2.037 174.241 176.300 -0.037 0.000 1.132 51 D CA -1.392 52.588 54.000 -0.033 0.000 0.907 51 D CB 1.167 41.938 40.800 -0.048 0.000 1.195 51 D HN 0.259 nan 8.370 nan 0.000 0.429 52 P HA -0.245 nan 4.420 nan 0.000 0.216 52 P C 1.282 178.576 177.300 -0.010 0.000 1.150 52 P CA 1.478 64.541 63.100 -0.061 0.000 0.843 52 P CB 0.241 31.873 31.700 -0.113 0.000 0.787 53 E N -0.049 120.127 120.200 -0.040 0.000 2.047 53 E HA -0.110 4.240 4.350 -0.000 0.000 0.191 53 E C 2.127 178.789 176.600 0.103 0.000 0.987 53 E CA 1.304 57.747 56.400 0.071 0.000 0.799 53 E CB -0.275 29.426 29.700 0.001 0.000 0.752 53 E HN 0.079 nan 8.360 nan 0.000 0.449 54 S N 0.451 116.172 115.700 0.035 0.000 2.370 54 S HA -0.180 4.290 4.470 -0.000 0.000 0.226 54 S C 2.027 176.652 174.600 0.041 0.000 1.033 54 S CA 1.020 59.235 58.200 0.025 0.000 1.011 54 S CB -0.289 62.914 63.200 0.005 0.000 0.852 54 S HN 0.493 nan 8.310 nan 0.000 0.457 55 A N 1.238 124.090 122.820 0.054 0.000 1.933 55 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 55 A C 1.918 179.589 177.584 0.144 0.000 1.175 55 A CA 1.966 54.044 52.037 0.068 0.000 0.628 55 A CB -0.875 18.148 19.000 0.039 0.000 0.814 55 A HN 0.586 nan 8.150 nan 0.000 0.444 56 H N 0.438 119.537 119.070 0.048 0.000 2.293 56 H HA -0.043 4.513 4.556 -0.000 0.000 0.300 56 H C 2.153 177.462 175.328 -0.032 0.000 1.082 56 H CA 2.099 58.185 56.048 0.065 0.000 1.308 56 H CB -0.286 29.549 29.762 0.122 0.000 1.375 56 H HN 0.474 nan 8.280 nan 0.000 0.495 57 R N -0.479 119.952 120.500 -0.115 0.000 2.096 57 R HA -0.093 4.247 4.340 -0.000 0.000 0.235 57 R C 2.402 178.631 176.300 -0.118 0.000 1.127 57 R CA 1.292 57.254 56.100 -0.230 0.000 0.968 57 R CB -0.441 29.776 30.300 -0.138 0.000 0.861 57 R HN 0.279 nan 8.270 nan 0.000 0.440 58 L N 0.908 122.114 121.223 -0.029 0.000 2.093 58 L HA -0.027 4.313 4.340 -0.000 0.000 0.208 58 L C 2.284 179.172 176.870 0.030 0.000 1.085 58 L CA 1.750 56.590 54.840 -0.001 0.000 0.755 58 L CB -0.567 41.502 42.059 0.018 0.000 0.904 58 L HN 0.124 nan 8.230 nan 0.000 0.435 59 A N -1.067 121.804 122.820 0.085 0.000 1.902 59 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 59 A C 2.263 179.955 177.584 0.180 0.000 1.181 59 A CA 2.009 54.163 52.037 0.194 0.000 0.623 59 A CB -1.111 18.117 19.000 0.380 0.000 0.818 59 A HN 0.296 nan 8.150 nan 0.000 0.443 60 V N 0.257 120.142 119.914 -0.048 0.000 2.295 60 V HA -0.281 3.839 4.120 -0.000 0.000 0.246 60 V C 2.690 178.750 176.094 -0.055 0.000 1.049 60 V CA 2.234 64.423 62.300 -0.186 0.000 1.024 60 V CB -0.826 30.722 31.823 -0.458 0.000 0.648 60 V HN 0.526 nan 8.190 nan 0.000 0.447 61 R N -0.369 120.098 120.500 -0.055 0.000 2.070 61 R HA -0.133 4.207 4.340 -0.000 0.000 0.233 61 R C 2.279 178.588 176.300 0.015 0.000 1.137 61 R CA 1.605 57.691 56.100 -0.023 0.000 0.945 61 R CB -0.870 29.415 30.300 -0.026 0.000 0.845 61 R HN 0.401 nan 8.270 nan 0.000 0.430 62 V N 1.053 120.989 119.914 0.036 0.000 2.324 62 V HA -0.268 3.852 4.120 -0.000 0.000 0.250 62 V C 2.264 178.398 176.094 0.068 0.000 1.060 62 V CA 2.292 64.624 62.300 0.052 0.000 1.042 62 V CB -0.648 31.213 31.823 0.064 0.000 0.650 62 V HN 0.458 nan 8.190 nan 0.000 0.450 63 T N 0.074 114.687 114.554 0.099 0.000 2.777 63 T HA -0.162 4.188 4.350 -0.000 0.000 0.266 63 T C 2.094 176.842 174.700 0.080 0.000 1.040 63 T CA 1.778 63.947 62.100 0.115 0.000 1.141 63 T CB -0.347 68.645 68.868 0.207 0.000 0.868 63 T HN 0.733 nan 8.240 nan 0.000 0.444 64 S N 1.921 117.654 115.700 0.054 0.000 2.402 64 S HA 0.041 4.511 4.470 -0.000 0.000 0.229 64 S C 1.961 176.581 174.600 0.032 0.000 1.021 64 S CA 0.691 58.911 58.200 0.033 0.000 0.974 64 S CB -0.801 62.403 63.200 0.006 0.000 0.800 64 S HN 0.448 nan 8.310 nan 0.000 0.484 65 L N 1.391 122.632 121.223 0.030 0.000 2.622 65 L HA 0.207 4.547 4.340 -0.000 0.000 0.233 65 L C 1.758 178.649 176.870 0.035 0.000 1.156 65 L CA 0.347 55.203 54.840 0.027 0.000 0.866 65 L CB -1.115 40.957 42.059 0.021 0.000 0.980 65 L HN 0.623 nan 8.230 nan 0.000 0.448 66 G N 0.422 109.249 108.800 0.046 0.000 2.273 66 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.280 66 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.280 66 G C 0.739 175.669 174.900 0.050 0.000 1.047 66 G CA 0.279 45.410 45.100 0.052 0.000 0.869 66 G HN 0.380 nan 8.290 nan 0.000 0.502 67 L N -1.545 119.709 121.223 0.051 0.000 2.395 67 L HA 0.195 4.535 4.340 -0.000 0.000 0.218 67 L C 1.223 178.131 176.870 0.063 0.000 1.130 67 L CA 0.229 55.102 54.840 0.054 0.000 0.826 67 L CB -0.204 41.886 42.059 0.051 0.000 0.941 67 L HN 0.221 nan 8.230 nan 0.000 0.451 68 L N -0.309 120.951 121.223 0.061 0.000 2.375 68 L HA 0.317 4.657 4.340 -0.000 0.000 0.271 68 L C -2.058 174.844 176.870 0.052 0.000 1.107 68 L CA -1.529 53.345 54.840 0.058 0.000 0.806 68 L CB -0.718 41.371 42.059 0.051 0.000 1.146 68 L HN -0.261 nan 8.230 nan 0.000 0.447 69 P HA 0.111 nan 4.420 nan 0.000 0.265 69 P C -0.595 176.728 177.300 0.038 0.000 1.193 69 P CA -0.362 62.765 63.100 0.044 0.000 0.765 69 P CB 0.417 32.141 31.700 0.040 0.000 0.823 70 R N 2.848 123.373 120.500 0.042 0.000 2.442 70 R HA 0.420 4.760 4.340 -0.000 0.000 0.291 70 R C -0.137 176.189 176.300 0.043 0.000 1.069 70 R CA -0.385 55.742 56.100 0.045 0.000 1.022 70 R CB 0.185 30.515 30.300 0.049 0.000 0.976 70 R HN 0.545 nan 8.270 nan 0.000 0.443 71 A N 3.603 126.447 122.820 0.041 0.000 2.546 71 A HA 0.054 4.374 4.320 -0.000 0.000 0.243 71 A C 0.703 178.335 177.584 0.081 0.000 1.063 71 A CA 0.088 52.156 52.037 0.052 0.000 0.757 71 A CB 0.476 19.500 19.000 0.040 0.000 0.991 71 A HN 0.940 nan 8.150 nan 0.000 0.503 72 T N 2.421 117.031 114.554 0.093 0.000 3.051 72 T HA 0.068 4.418 4.350 -0.000 0.000 0.255 72 T C 0.482 175.244 174.700 0.104 0.000 1.085 72 T CA 0.118 62.265 62.100 0.080 0.000 1.109 72 T CB -0.284 68.620 68.868 0.060 0.000 0.921 72 T HN 0.543 nan 8.240 nan 0.000 0.488 73 F N 3.390 123.338 119.950 -0.004 0.000 2.604 73 F HA 0.070 4.597 4.527 -0.000 0.000 0.393 73 F C 0.346 176.150 175.800 0.006 0.000 1.043 73 F CA -0.275 57.724 58.000 -0.002 0.000 1.227 73 F CB 0.244 39.238 39.000 -0.011 0.000 1.016 73 F HN 0.008 nan 8.300 nan 0.000 0.556 74 Q N 4.649 124.120 119.800 -0.549 0.000 2.278 74 Q HA 0.214 4.554 4.340 -0.000 0.000 0.257 74 Q C -0.987 174.694 176.000 -0.533 0.000 0.928 74 Q CA -0.661 54.923 55.803 -0.366 0.000 0.932 74 Q CB 0.964 29.553 28.738 -0.249 0.000 1.221 74 Q HN 0.471 nan 8.270 nan 0.000 0.434 75 D N 1.757 122.068 120.400 -0.150 0.000 2.358 75 D HA 0.030 4.670 4.640 -0.000 0.000 0.258 75 D C -0.075 176.196 176.300 -0.048 0.000 1.223 75 D CA 0.131 54.132 54.000 0.001 0.000 0.886 75 D CB 0.661 41.537 40.800 0.127 0.000 1.120 75 D HN 0.522 nan 8.370 nan 0.000 0.482 76 S N 1.739 117.410 115.700 -0.049 0.000 2.614 76 S HA 0.081 4.551 4.470 -0.000 0.000 0.265 76 S C 0.891 175.505 174.600 0.023 0.000 1.303 76 S CA -0.690 57.493 58.200 -0.029 0.000 1.000 76 S CB 1.354 64.541 63.200 -0.022 0.000 0.935 76 S HN 0.195 nan 8.310 nan 0.000 0.551 77 D N 1.070 121.480 120.400 0.017 0.000 2.221 77 D HA -0.149 4.491 4.640 -0.000 0.000 0.204 77 D C 1.809 178.137 176.300 0.047 0.000 0.982 77 D CA 1.726 55.745 54.000 0.031 0.000 0.857 77 D CB -0.422 40.392 40.800 0.022 0.000 0.934 77 D HN 0.826 nan 8.370 nan 0.000 0.475 78 M N -1.468 118.163 119.600 0.051 0.000 2.630 78 M HA 0.041 4.521 4.480 -0.000 0.000 0.254 78 M C 1.178 177.521 176.300 0.072 0.000 1.092 78 M CA 1.116 56.453 55.300 0.061 0.000 1.087 78 M CB -0.007 32.633 32.600 0.066 0.000 1.453 78 M HN -0.097 nan 8.290 nan 0.000 0.509 79 L N 0.418 121.693 121.223 0.087 0.000 2.607 79 L HA 0.271 4.611 4.340 -0.000 0.000 0.228 79 L C 0.874 177.809 176.870 0.109 0.000 1.123 79 L CA -0.107 54.797 54.840 0.106 0.000 0.890 79 L CB -0.110 42.039 42.059 0.151 0.000 1.103 79 L HN 0.426 nan 8.230 nan 0.000 0.468 80 E N 1.196 121.454 120.200 0.097 0.000 2.360 80 E HA 0.222 4.572 4.350 -0.000 0.000 0.269 80 E C -1.149 175.509 176.600 0.096 0.000 1.022 80 E CA -0.152 56.314 56.400 0.109 0.000 0.887 80 E CB 1.143 30.895 29.700 0.087 0.000 0.990 80 E HN -0.136 nan 8.360 nan 0.000 0.426 81 V N 5.479 125.471 119.914 0.131 0.000 2.483 81 V HA 0.253 4.373 4.120 -0.000 0.000 0.297 81 V C -0.569 175.624 176.094 0.166 0.000 1.027 81 V CA -0.831 61.518 62.300 0.083 0.000 0.855 81 V CB 1.791 33.596 31.823 -0.031 0.000 0.995 81 V HN 0.636 nan 8.190 nan 0.000 0.424 82 K N 3.814 124.279 120.400 0.108 0.000 2.292 82 K HA 0.750 5.070 4.320 -0.000 0.000 0.270 82 K C -0.983 175.672 176.600 0.091 0.000 1.062 82 K CA -0.278 56.088 56.287 0.131 0.000 0.916 82 K CB 1.941 34.484 32.500 0.072 0.000 1.166 82 K HN 0.424 nan 8.250 nan 0.000 0.458 83 V N 3.915 123.920 119.914 0.152 0.000 3.242 83 V HA 0.258 4.378 4.120 -0.000 0.000 0.298 83 V C -0.484 175.708 176.094 0.162 0.000 1.352 83 V CA -0.813 61.519 62.300 0.053 0.000 1.052 83 V CB 1.540 33.290 31.823 -0.121 0.000 1.101 83 V HN 0.885 nan 8.190 nan 0.000 0.446 84 L N 4.082 125.350 121.223 0.075 0.000 4.001 84 L HA -0.209 4.131 4.340 -0.000 0.000 0.413 84 L C 1.316 178.307 176.870 0.201 0.000 1.185 84 L CA 0.944 55.861 54.840 0.128 0.000 0.963 84 L CB -1.753 40.389 42.059 0.139 0.000 1.976 84 L HN 1.660 nan 8.230 nan 0.000 0.939 85 G N -1.755 107.095 108.800 0.083 0.000 2.162 85 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.260 85 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.260 85 G C 0.241 174.960 174.900 -0.302 0.000 0.976 85 G CA 0.654 45.709 45.100 -0.075 0.000 0.655 85 G HN 0.633 nan 8.290 nan 0.000 0.533 86 H N -0.916 118.208 119.070 0.090 0.000 2.906 86 H HA 0.595 5.151 4.556 -0.000 0.000 0.337 86 H C -0.419 174.928 175.328 0.031 0.000 1.257 86 H CA -0.612 55.433 56.048 -0.004 0.000 1.192 86 H CB 1.861 31.528 29.762 -0.158 0.000 1.912 86 H HN 0.177 nan 8.280 nan 0.000 0.573 87 K N 1.334 121.749 120.400 0.025 0.000 2.323 87 K HA 0.346 4.666 4.320 -0.000 0.000 0.259 87 K C -1.626 174.915 176.600 -0.098 0.000 0.947 87 K CA -0.484 55.837 56.287 0.056 0.000 0.819 87 K CB 0.705 33.219 32.500 0.024 0.000 1.109 87 K HN 0.202 nan 8.250 nan 0.000 0.429 88 F N 4.024 123.992 119.950 0.030 0.000 2.375 88 F HA 0.413 4.940 4.527 -0.000 0.000 0.361 88 F C 1.425 177.269 175.800 0.073 0.000 1.117 88 F CA -0.895 57.130 58.000 0.041 0.000 1.037 88 F CB 1.452 40.424 39.000 -0.048 0.000 1.192 88 F HN 0.548 nan 8.300 nan 0.000 0.452 89 R N 1.576 122.197 120.500 0.201 0.000 2.119 89 R HA -0.199 4.141 4.340 -0.000 0.000 0.246 89 R C 0.020 176.442 176.300 0.205 0.000 1.146 89 R CA 1.675 57.873 56.100 0.163 0.000 0.962 89 R CB -0.360 30.018 30.300 0.130 0.000 0.863 89 R HN 0.803 nan 8.270 nan 0.000 0.442 90 N N -1.976 116.892 118.700 0.280 0.000 2.416 90 N HA 0.162 4.902 4.740 -0.000 0.000 0.276 90 N C -2.628 173.083 175.510 0.335 0.000 1.261 90 N CA -1.618 51.594 53.050 0.269 0.000 0.790 90 N CB 2.039 40.682 38.487 0.260 0.000 1.554 90 N HN -0.319 nan 8.380 nan 0.000 0.481 91 P HA 0.105 nan 4.420 nan 0.000 0.257 91 P C -0.762 176.780 177.300 0.404 0.000 1.325 91 P CA 0.100 63.348 63.100 0.247 0.000 0.850 91 P CB 0.222 31.979 31.700 0.095 0.000 1.324 92 V N 0.461 120.610 119.914 0.392 0.000 2.328 92 V HA 0.618 4.738 4.120 -0.000 0.000 0.278 92 V C 0.911 177.135 176.094 0.216 0.000 1.021 92 V CA -0.428 62.040 62.300 0.280 0.000 0.838 92 V CB 1.127 33.040 31.823 0.150 0.000 0.999 92 V HN 0.107 nan 8.190 nan 0.000 0.447 93 G N 3.310 111.930 108.800 -0.300 0.000 2.597 93 G HA2 0.703 4.663 3.960 -0.000 0.000 0.317 93 G HA3 0.703 4.663 3.960 -0.000 0.000 0.317 93 G C -1.202 173.276 174.900 -0.704 0.000 1.230 93 G CA -0.793 43.724 45.100 -0.972 0.000 0.996 93 G HN 0.579 nan 8.290 nan 0.000 0.490 94 I N 1.026 120.912 120.570 -1.139 0.000 2.315 94 I HA 0.643 4.813 4.170 -0.000 0.000 0.291 94 I C 0.789 176.553 176.117 -0.589 0.000 1.006 94 I CA -0.623 59.975 61.300 -1.171 0.000 1.265 94 I CB 0.776 37.813 38.000 -1.605 0.000 1.387 94 I HN 0.680 nan 8.210 nan 0.000 0.475 95 A N 6.165 128.780 122.820 -0.341 0.000 2.448 95 A HA 0.645 4.965 4.320 -0.000 0.000 0.239 95 A C 0.538 178.065 177.584 -0.094 0.000 1.080 95 A CA 0.059 52.029 52.037 -0.111 0.000 0.779 95 A CB -0.225 18.819 19.000 0.073 0.000 1.026 95 A HN 1.138 nan 8.150 nan 0.000 0.499 96 A N -0.349 122.484 122.820 0.023 0.000 2.483 96 A HA 0.496 4.816 4.320 -0.000 0.000 0.238 96 A C 1.557 179.210 177.584 0.115 0.000 1.070 96 A CA 0.833 52.893 52.037 0.038 0.000 0.770 96 A CB -0.518 18.534 19.000 0.087 0.000 1.008 96 A HN 2.732 nan 8.150 nan 0.000 0.497 97 G N -0.182 108.665 108.800 0.079 0.000 2.232 97 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.226 97 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.226 97 G C 0.724 175.706 174.900 0.137 0.000 0.996 97 G CA 0.887 46.108 45.100 0.201 0.000 0.626 97 G HN 1.301 nan 8.290 nan 0.000 0.509 98 F N 1.867 121.588 119.950 -0.382 0.000 2.164 98 F HA 0.398 4.925 4.527 -0.000 0.000 0.287 98 F C 0.922 176.669 175.800 -0.087 0.000 1.086 98 F CA 1.383 59.112 58.000 -0.453 0.000 1.249 98 F CB 0.336 38.829 39.000 -0.845 0.000 1.059 98 F HN 0.042 nan 8.300 nan 0.000 0.490 99 D N 0.659 120.919 120.400 -0.233 0.000 2.505 99 D HA 0.156 4.796 4.640 -0.000 0.000 0.242 99 D C 0.676 176.841 176.300 -0.225 0.000 1.136 99 D CA 0.018 53.847 54.000 -0.286 0.000 0.954 99 D CB 0.433 41.149 40.800 -0.139 0.000 1.002 99 D HN 0.221 nan 8.370 nan 0.000 0.512 100 K N 0.896 121.140 120.400 -0.260 0.000 2.211 100 K HA 0.017 4.337 4.320 -0.000 0.000 0.203 100 K C 0.717 177.161 176.600 -0.260 0.000 1.050 100 K CA 0.698 56.847 56.287 -0.231 0.000 0.945 100 K CB 0.311 32.657 32.500 -0.257 0.000 0.732 100 K HN 0.253 nan 8.250 nan 0.000 0.451 101 N N -0.150 118.357 118.700 -0.322 0.000 2.234 101 N HA 0.062 4.802 4.740 -0.000 0.000 0.227 101 N C 0.114 175.530 175.510 -0.156 0.000 1.151 101 N CA 0.494 53.370 53.050 -0.289 0.000 0.865 101 N CB 1.491 39.638 38.487 -0.566 0.000 1.066 101 N HN 0.232 nan 8.380 nan 0.000 0.515 102 G N 1.753 110.464 108.800 -0.148 0.000 2.323 102 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.292 102 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.292 102 G C 0.582 175.440 174.900 -0.070 0.000 1.040 102 G CA 0.391 45.431 45.100 -0.100 0.000 0.942 102 G HN 0.451 nan 8.290 nan 0.000 0.506 103 E N -0.786 119.360 120.200 -0.091 0.000 2.415 103 E HA 0.384 4.734 4.350 -0.000 0.000 0.197 103 E C 1.985 178.559 176.600 -0.043 0.000 1.007 103 E CA 0.615 56.980 56.400 -0.059 0.000 0.890 103 E CB 0.389 30.042 29.700 -0.078 0.000 0.891 103 E HN 0.741 nan 8.360 nan 0.000 0.496 104 A N 0.569 123.359 122.820 -0.050 0.000 2.616 104 A HA 0.239 4.559 4.320 -0.000 0.000 0.294 104 A C 1.519 179.093 177.584 -0.017 0.000 1.091 104 A CA -0.235 51.800 52.037 -0.004 0.000 0.971 104 A CB 0.078 19.105 19.000 0.046 0.000 1.222 104 A HN 0.020 nan 8.150 nan 0.000 0.521 105 V N 0.482 120.362 119.914 -0.056 0.000 2.252 105 V HA -0.280 3.840 4.120 -0.000 0.000 0.249 105 V C 2.149 178.190 176.094 -0.088 0.000 1.056 105 V CA 2.533 64.751 62.300 -0.136 0.000 1.022 105 V CB -0.541 31.235 31.823 -0.079 0.000 0.641 105 V HN 0.583 nan 8.190 nan 0.000 0.445 106 D N 0.534 120.979 120.400 0.074 0.000 2.144 106 D HA -0.115 4.525 4.640 -0.000 0.000 0.199 106 D C 2.171 178.559 176.300 0.146 0.000 0.984 106 D CA 1.685 55.797 54.000 0.186 0.000 0.834 106 D CB -0.313 40.571 40.800 0.140 0.000 0.955 106 D HN 0.538 nan 8.370 nan 0.000 0.465 107 G N 0.836 109.687 108.800 0.086 0.000 2.422 107 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.218 107 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.218 107 G C 1.829 176.789 174.900 0.100 0.000 1.140 107 G CA 0.091 45.245 45.100 0.090 0.000 0.775 107 G HN 0.207 nan 8.290 nan 0.000 0.545 108 L N -1.174 120.081 121.223 0.054 0.000 2.072 108 L HA 0.039 4.378 4.340 -0.000 0.000 0.205 108 L C 2.592 179.578 176.870 0.194 0.000 1.079 108 L CA 0.737 55.634 54.840 0.094 0.000 0.752 108 L CB -0.424 41.568 42.059 -0.113 0.000 0.906 108 L HN 0.209 nan 8.230 nan 0.000 0.436 109 Y N 0.146 120.546 120.300 0.166 0.000 2.224 109 Y HA -0.297 4.253 4.550 -0.000 0.000 0.289 109 Y C 2.717 178.681 175.900 0.108 0.000 1.146 109 Y CA 1.200 59.390 58.100 0.150 0.000 1.182 109 Y CB -0.106 38.415 38.460 0.102 0.000 0.983 109 Y HN 0.097 nan 8.280 nan 0.000 0.524 110 K N 0.749 121.297 120.400 0.246 0.000 2.209 110 K HA -0.157 4.163 4.320 -0.000 0.000 0.204 110 K C 1.543 178.197 176.600 0.090 0.000 1.048 110 K CA 0.943 57.318 56.287 0.146 0.000 0.940 110 K CB -0.219 32.352 32.500 0.118 0.000 0.729 110 K HN 0.369 nan 8.250 nan 0.000 0.451 111 L N -0.876 120.390 121.223 0.072 0.000 2.492 111 L HA 0.061 4.401 4.340 -0.000 0.000 0.223 111 L C 1.257 178.031 176.870 -0.161 0.000 1.132 111 L CA 0.781 55.593 54.840 -0.047 0.000 0.850 111 L CB 0.183 42.199 42.059 -0.072 0.000 0.966 111 L HN 0.610 nan 8.230 nan 0.000 0.454 112 G N -1.000 107.763 108.800 -0.062 0.000 2.205 112 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.180 112 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.180 112 G C 0.134 174.997 174.900 -0.061 0.000 1.004 112 G CA -0.727 44.332 45.100 -0.068 0.000 0.670 112 G HN 0.111 nan 8.290 nan 0.000 0.496 113 F N 1.306 121.301 119.950 0.074 0.000 2.529 113 F HA 0.426 4.953 4.527 -0.000 0.000 0.365 113 F C 1.874 177.818 175.800 0.240 0.000 1.102 113 F CA 0.878 58.915 58.000 0.062 0.000 1.271 113 F CB 1.342 40.291 39.000 -0.084 0.000 1.120 113 F HN 0.022 nan 8.300 nan 0.000 0.579 114 G N 3.484 112.587 108.800 0.504 0.000 2.650 114 G HA2 0.076 4.036 3.960 -0.000 0.000 0.214 114 G HA3 0.076 4.036 3.960 -0.000 0.000 0.214 114 G C -0.248 175.162 174.900 0.850 0.000 1.136 114 G CA 0.241 45.706 45.100 0.609 0.000 0.789 114 G HN 0.628 nan 8.290 nan 0.000 0.536 115 F N -3.085 117.149 119.950 0.474 0.000 2.744 115 F HA 0.643 5.170 4.527 -0.000 0.000 0.311 115 F C -1.499 174.405 175.800 0.173 0.000 1.144 115 F CA -1.646 56.624 58.000 0.451 0.000 0.938 115 F CB 1.267 40.611 39.000 0.573 0.000 1.292 115 F HN -0.152 nan 8.300 nan 0.000 0.444 116 V N 1.117 121.083 119.914 0.088 0.000 2.604 116 V HA 0.487 4.607 4.120 -0.000 0.000 0.305 116 V C -1.002 175.023 176.094 -0.115 0.000 1.043 116 V CA -0.630 61.515 62.300 -0.259 0.000 0.888 116 V CB 1.792 33.301 31.823 -0.523 0.000 0.995 116 V HN 0.866 nan 8.190 nan 0.000 0.429 117 E N 2.953 123.056 120.200 -0.163 0.000 2.145 117 E HA 0.458 4.808 4.350 -0.000 0.000 0.262 117 E C -1.155 175.363 176.600 -0.138 0.000 0.883 117 E CA -0.540 55.796 56.400 -0.105 0.000 0.748 117 E CB 1.830 31.551 29.700 0.035 0.000 1.140 117 E HN 0.516 nan 8.360 nan 0.000 0.417 118 V N 4.751 124.576 119.914 -0.148 0.000 2.450 118 V HA 0.092 4.212 4.120 -0.000 0.000 0.281 118 V C 1.255 177.281 176.094 -0.112 0.000 1.019 118 V CA 0.560 62.778 62.300 -0.136 0.000 1.062 118 V CB 0.400 32.144 31.823 -0.131 0.000 0.979 118 V HN 0.844 nan 8.190 nan 0.000 0.477 119 G N 4.691 113.426 108.800 -0.109 0.000 2.971 119 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.227 119 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.227 119 G C 0.454 175.303 174.900 -0.085 0.000 1.214 119 G CA -0.300 44.756 45.100 -0.074 0.000 0.854 119 G HN 0.763 nan 8.290 nan 0.000 0.566 120 S N -0.739 114.930 115.700 -0.052 0.000 2.575 120 S HA 0.182 4.652 4.470 -0.000 0.000 0.295 120 S C 0.454 174.912 174.600 -0.237 0.000 1.267 120 S CA -0.252 57.851 58.200 -0.162 0.000 1.074 120 S CB 0.529 63.577 63.200 -0.253 0.000 0.829 120 S HN 0.537 nan 8.310 nan 0.000 0.497 121 V N 4.815 124.594 119.914 -0.225 0.000 2.384 121 V HA 0.422 4.542 4.120 -0.000 0.000 0.287 121 V C 0.603 176.572 176.094 -0.210 0.000 1.020 121 V CA -0.911 61.275 62.300 -0.189 0.000 0.850 121 V CB 1.498 33.245 31.823 -0.126 0.000 0.987 121 V HN 0.962 nan 8.190 nan 0.000 0.436 122 T N 2.835 117.270 114.554 -0.197 0.000 2.928 122 T HA 0.425 4.775 4.350 -0.000 0.000 0.284 122 T C -1.952 172.689 174.700 -0.097 0.000 1.008 122 T CA -1.985 60.014 62.100 -0.168 0.000 1.057 122 T CB 2.014 70.801 68.868 -0.135 0.000 1.018 122 T HN 0.337 nan 8.240 nan 0.000 0.493 123 P HA -0.097 nan 4.420 nan 0.000 0.213 123 P C 0.464 177.736 177.300 -0.048 0.000 1.170 123 P CA 1.278 64.341 63.100 -0.061 0.000 0.902 123 P CB 0.140 31.804 31.700 -0.060 0.000 0.789 124 Q N -1.143 118.634 119.800 -0.038 0.000 2.205 124 Q HA 0.372 4.712 4.340 -0.000 0.000 0.249 124 Q C -2.361 173.632 176.000 -0.012 0.000 0.948 124 Q CA -2.599 53.190 55.803 -0.022 0.000 0.895 124 Q CB -0.303 28.426 28.738 -0.016 0.000 1.249 124 Q HN 0.033 nan 8.270 nan 0.000 0.458 125 P HA 0.093 nan 4.420 nan 0.000 0.274 125 P C -1.004 176.311 177.300 0.024 0.000 1.231 125 P CA -0.021 63.091 63.100 0.019 0.000 0.790 125 P CB 0.531 32.242 31.700 0.018 0.000 0.951 126 Q N -0.292 119.532 119.800 0.040 0.000 2.472 126 Q HA 0.292 4.632 4.340 -0.000 0.000 0.281 126 Q C -0.091 175.946 176.000 0.062 0.000 0.997 126 Q CA -0.818 55.014 55.803 0.048 0.000 0.828 126 Q CB 1.304 30.076 28.738 0.057 0.000 1.443 126 Q HN 0.439 nan 8.270 nan 0.000 0.390 127 E N 0.818 121.055 120.200 0.062 0.000 2.442 127 E HA 0.330 4.680 4.350 -0.000 0.000 0.195 127 E C 0.763 177.420 176.600 0.095 0.000 1.030 127 E CA 0.345 56.787 56.400 0.070 0.000 0.869 127 E CB 0.207 29.940 29.700 0.056 0.000 0.857 127 E HN 0.933 nan 8.360 nan 0.000 0.505 128 G N 1.142 110.004 108.800 0.104 0.000 2.632 128 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.224 128 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.224 128 G C -0.741 174.218 174.900 0.099 0.000 1.341 128 G CA -0.298 44.879 45.100 0.128 0.000 0.880 128 G HN 0.229 nan 8.290 nan 0.000 0.566 129 N N 2.157 120.916 118.700 0.099 0.000 2.424 129 N HA 0.484 5.224 4.740 -0.000 0.000 0.257 129 N C -1.911 173.633 175.510 0.057 0.000 1.250 129 N CA -0.400 52.688 53.050 0.065 0.000 0.946 129 N CB 0.415 38.932 38.487 0.051 0.000 1.175 129 N HN 0.548 nan 8.380 nan 0.000 0.477 130 P HA 0.184 nan 4.420 nan 0.000 0.274 130 P C -0.393 176.917 177.300 0.016 0.000 1.237 130 P CA -0.105 63.013 63.100 0.030 0.000 0.793 130 P CB 1.107 32.823 31.700 0.028 0.000 0.977 131 R N 1.467 121.968 120.500 0.002 0.000 2.531 131 R HA 0.417 4.757 4.340 -0.000 0.000 0.273 131 R C -1.477 174.820 176.300 -0.006 0.000 1.070 131 R CA -1.390 54.691 56.100 -0.033 0.000 1.112 131 R CB -0.376 29.901 30.300 -0.039 0.000 1.049 131 R HN 0.511 nan 8.270 nan 0.000 0.508 132 P HA 0.173 nan 4.420 nan 0.000 0.278 132 P C -0.727 176.453 177.300 -0.200 0.000 1.238 132 P CA -0.415 62.592 63.100 -0.155 0.000 0.794 132 P CB 0.959 32.572 31.700 -0.145 0.000 0.955 133 R N 0.045 120.272 120.500 -0.455 0.000 2.538 133 R HA 0.419 4.759 4.340 -0.000 0.000 0.372 133 R C -0.775 175.131 176.300 -0.657 0.000 0.950 133 R CA -0.371 55.504 56.100 -0.376 0.000 1.168 133 R CB 0.220 30.379 30.300 -0.236 0.000 1.542 133 R HN 0.177 nan 8.270 nan 0.000 0.536 134 V N 1.566 120.833 119.914 -1.079 0.000 2.686 134 V HA 0.577 4.697 4.120 -0.000 0.000 0.306 134 V C -1.390 174.094 176.094 -1.017 0.000 1.065 134 V CA -0.720 61.091 62.300 -0.814 0.000 0.894 134 V CB 1.645 33.110 31.823 -0.597 0.000 1.004 134 V HN 0.101 nan 8.190 nan 0.000 0.424 135 F N 2.010 121.898 119.950 -0.103 0.000 2.569 135 F HA 0.689 5.216 4.527 -0.000 0.000 0.312 135 F C 0.210 176.003 175.800 -0.012 0.000 1.109 135 F CA -0.869 57.101 58.000 -0.050 0.000 0.919 135 F CB 2.016 40.991 39.000 -0.041 0.000 1.211 135 F HN 0.246 nan 8.300 nan 0.000 0.446 136 R N 1.948 122.558 120.500 0.183 0.000 2.428 136 R HA 0.682 5.022 4.340 -0.000 0.000 0.294 136 R C -1.330 175.098 176.300 0.213 0.000 1.000 136 R CA -0.904 55.319 56.100 0.204 0.000 0.960 136 R CB 1.199 31.597 30.300 0.163 0.000 1.076 136 R HN 0.451 nan 8.270 nan 0.000 0.475 137 L N 5.421 126.783 121.223 0.232 0.000 2.581 137 L HA 0.291 4.631 4.340 -0.000 0.000 0.241 137 L C -1.948 174.942 176.870 0.033 0.000 1.265 137 L CA -1.747 53.152 54.840 0.099 0.000 0.954 137 L CB 1.326 43.408 42.059 0.038 0.000 1.269 137 L HN 0.411 nan 8.230 nan 0.000 0.475 138 P HA -0.237 nan 4.420 nan 0.000 0.216 138 P C 1.022 178.235 177.300 -0.146 0.000 1.167 138 P CA 1.477 64.609 63.100 0.054 0.000 0.914 138 P CB 0.406 32.183 31.700 0.129 0.000 0.793 139 E N -0.840 119.313 120.200 -0.079 0.000 2.209 139 E HA -0.154 4.196 4.350 -0.000 0.000 0.196 139 E C 1.235 177.750 176.600 -0.141 0.000 0.993 139 E CA 1.208 57.553 56.400 -0.091 0.000 0.819 139 E CB -0.654 29.017 29.700 -0.050 0.000 0.745 139 E HN 0.424 nan 8.360 nan 0.000 0.477 140 D N -0.297 119.998 120.400 -0.176 0.000 2.369 140 D HA 0.009 4.649 4.640 -0.000 0.000 0.211 140 D C -0.179 175.936 176.300 -0.307 0.000 1.077 140 D CA 0.075 53.966 54.000 -0.182 0.000 0.842 140 D CB 0.328 41.059 40.800 -0.114 0.000 0.947 140 D HN 0.097 nan 8.370 nan 0.000 0.509 141 Q N -0.202 119.236 119.800 -0.605 0.000 2.451 141 Q HA -0.175 4.165 4.340 -0.000 0.000 0.305 141 Q C -0.377 175.258 176.000 -0.608 0.000 1.345 141 Q CA 0.551 55.675 55.803 -1.132 0.000 0.854 141 Q CB -1.496 26.869 28.738 -0.622 0.000 1.162 141 Q HN 0.355 nan 8.270 nan 0.000 0.440 142 A N -0.566 122.063 122.820 -0.319 0.000 2.479 142 A HA 0.913 5.233 4.320 -0.000 0.000 0.296 142 A C -0.660 177.061 177.584 0.228 0.000 1.121 142 A CA -0.496 51.558 52.037 0.029 0.000 0.743 142 A CB 2.119 21.105 19.000 -0.023 0.000 1.323 142 A HN 0.111 nan 8.150 nan 0.000 0.415 143 V N 0.775 120.784 119.914 0.157 0.000 3.007 143 V HA 0.545 4.665 4.120 -0.000 0.000 0.311 143 V C -0.899 175.232 176.094 0.062 0.000 1.120 143 V CA -0.312 62.059 62.300 0.117 0.000 0.980 143 V CB 1.998 33.836 31.823 0.024 0.000 1.033 143 V HN 0.750 nan 8.190 nan 0.000 0.429 144 I N 4.752 125.384 120.570 0.103 0.000 2.466 144 I HA 0.505 4.675 4.170 -0.000 0.000 0.289 144 I C -0.801 175.405 176.117 0.148 0.000 1.026 144 I CA -0.398 60.968 61.300 0.110 0.000 1.078 144 I CB 1.918 39.983 38.000 0.109 0.000 1.249 144 I HN 0.824 nan 8.210 nan 0.000 0.429 145 N N 6.623 125.358 118.700 0.059 0.000 2.242 145 N HA 0.519 5.259 4.740 -0.000 0.000 0.292 145 N C -1.026 174.494 175.510 0.017 0.000 1.125 145 N CA -0.971 52.071 53.050 -0.013 0.000 0.783 145 N CB 2.471 40.909 38.487 -0.081 0.000 1.558 145 N HN 0.706 nan 8.380 nan 0.000 0.472 146 R N 0.897 121.387 120.500 -0.017 0.000 2.647 146 R HA 0.210 4.550 4.340 -0.000 0.000 0.295 146 R C -0.441 175.872 176.300 0.022 0.000 1.267 146 R CA -0.709 55.402 56.100 0.018 0.000 1.386 146 R CB -0.853 29.476 30.300 0.049 0.000 1.309 146 R HN 0.508 nan 8.270 nan 0.000 0.692 147 Y N 1.497 121.801 120.300 0.008 0.000 2.128 147 Y HA -0.156 4.394 4.550 -0.000 0.000 0.284 147 Y C 1.923 177.835 175.900 0.020 0.000 1.154 147 Y CA 1.992 60.106 58.100 0.023 0.000 1.149 147 Y CB 0.209 38.704 38.460 0.059 0.000 0.976 147 Y HN 0.742 nan 8.280 nan 0.000 0.505 148 G N -1.042 107.846 108.800 0.146 0.000 2.171 148 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.238 148 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.238 148 G C 0.232 175.223 174.900 0.151 0.000 1.039 148 G CA -0.102 45.020 45.100 0.036 0.000 0.759 148 G HN 0.543 nan 8.290 nan 0.000 0.501 149 F N -1.053 118.953 119.950 0.092 0.000 3.056 149 F HA -0.247 4.280 4.527 -0.000 0.000 0.301 149 F C 1.049 176.849 175.800 0.001 0.000 0.907 149 F CA 0.170 58.191 58.000 0.035 0.000 1.113 149 F CB -1.603 37.420 39.000 0.038 0.000 1.123 149 F HN 0.672 nan 8.300 nan 0.000 0.661 150 N N 1.523 120.316 118.700 0.155 0.000 2.447 150 N HA 0.252 4.992 4.740 -0.000 0.000 0.263 150 N C -0.293 175.204 175.510 -0.023 0.000 1.226 150 N CA 0.564 53.649 53.050 0.058 0.000 0.906 150 N CB 1.934 40.432 38.487 0.017 0.000 1.060 150 N HN 0.274 nan 8.380 nan 0.000 0.468 151 S N 0.918 116.617 115.700 -0.002 0.000 2.556 151 S HA 0.272 4.742 4.470 -0.000 0.000 0.271 151 S C 0.113 174.748 174.600 0.060 0.000 1.135 151 S CA -0.760 57.408 58.200 -0.052 0.000 0.858 151 S CB 0.861 64.015 63.200 -0.076 0.000 1.114 151 S HN 0.648 nan 8.310 nan 0.000 0.468 152 H N 1.903 120.930 119.070 -0.072 0.000 2.529 152 H HA 0.313 4.869 4.556 -0.000 0.000 0.277 152 H C 1.264 176.559 175.328 -0.055 0.000 0.999 152 H CA 0.236 56.248 56.048 -0.059 0.000 1.256 152 H CB 0.255 29.980 29.762 -0.062 0.000 1.402 152 H HN 1.015 nan 8.280 nan 0.000 0.566 153 G N -0.088 108.741 108.800 0.048 0.000 2.699 153 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.686 153 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.686 153 G C 0.380 175.261 174.900 -0.032 0.000 1.301 153 G CA -0.340 44.756 45.100 -0.008 0.000 0.816 153 G HN 0.161 nan 8.290 nan 0.000 0.595 154 L N 0.674 121.862 121.223 -0.058 0.000 1.989 154 L HA -0.153 4.187 4.340 -0.000 0.000 0.211 154 L C 3.215 180.012 176.870 -0.121 0.000 1.071 154 L CA 2.372 57.164 54.840 -0.079 0.000 0.749 154 L CB -0.804 41.211 42.059 -0.074 0.000 0.890 154 L HN 0.698 nan 8.230 nan 0.000 0.431 155 S N -0.406 115.212 115.700 -0.137 0.000 2.359 155 S HA -0.203 4.267 4.470 -0.000 0.000 0.223 155 S C 2.004 176.404 174.600 -0.333 0.000 1.039 155 S CA 1.632 59.673 58.200 -0.264 0.000 1.042 155 S CB -0.474 62.634 63.200 -0.154 0.000 0.915 155 S HN 0.178 nan 8.310 nan 0.000 0.439 156 V N 1.488 121.349 119.914 -0.089 0.000 2.261 156 V HA -0.150 3.970 4.120 -0.000 0.000 0.246 156 V C 2.355 178.464 176.094 0.025 0.000 1.047 156 V CA 1.633 63.954 62.300 0.035 0.000 1.015 156 V CB -0.797 31.063 31.823 0.061 0.000 0.642 156 V HN 0.359 nan 8.190 nan 0.000 0.446 157 V N -0.096 119.816 119.914 -0.004 0.000 2.407 157 V HA -0.232 3.888 4.120 -0.000 0.000 0.248 157 V C 2.590 178.662 176.094 -0.037 0.000 1.055 157 V CA 2.050 64.341 62.300 -0.016 0.000 1.049 157 V CB -0.653 31.141 31.823 -0.047 0.000 0.662 157 V HN 0.597 nan 8.190 nan 0.000 0.455 158 E N -0.204 119.940 120.200 -0.094 0.000 2.077 158 E HA -0.235 4.115 4.350 -0.000 0.000 0.193 158 E C 2.239 178.813 176.600 -0.044 0.000 0.989 158 E CA 1.479 57.816 56.400 -0.105 0.000 0.800 158 E CB -0.209 29.382 29.700 -0.182 0.000 0.746 158 E HN 0.676 nan 8.360 nan 0.000 0.452 159 H N 0.651 119.717 119.070 -0.008 0.000 2.319 159 H HA -0.036 4.520 4.556 -0.000 0.000 0.299 159 H C 2.351 177.675 175.328 -0.006 0.000 1.092 159 H CA 1.389 57.432 56.048 -0.007 0.000 1.302 159 H CB -0.206 29.550 29.762 -0.009 0.000 1.373 159 H HN 0.141 nan 8.280 nan 0.000 0.497 160 R N 0.303 120.879 120.500 0.127 0.000 2.083 160 R HA -0.101 4.239 4.340 -0.000 0.000 0.237 160 R C 2.631 178.955 176.300 0.040 0.000 1.137 160 R CA 1.113 57.252 56.100 0.066 0.000 0.951 160 R CB -0.457 29.870 30.300 0.044 0.000 0.851 160 R HN 0.276 nan 8.270 nan 0.000 0.434 161 L N -0.086 121.152 121.223 0.025 0.000 2.093 161 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 161 L C 2.639 179.522 176.870 0.021 0.000 1.085 161 L CA 1.107 55.954 54.840 0.012 0.000 0.755 161 L CB -0.376 41.678 42.059 -0.010 0.000 0.904 161 L HN 0.158 nan 8.230 nan 0.000 0.435 162 R N 0.071 120.590 120.500 0.032 0.000 2.115 162 R HA -0.056 4.284 4.340 -0.000 0.000 0.226 162 R C 2.353 178.674 176.300 0.034 0.000 1.100 162 R CA 1.063 57.184 56.100 0.034 0.000 0.980 162 R CB -0.274 30.056 30.300 0.049 0.000 0.875 162 R HN 0.311 nan 8.270 nan 0.000 0.445 163 A N 1.778 124.622 122.820 0.040 0.000 2.070 163 A HA -0.176 4.144 4.320 -0.000 0.000 0.220 163 A C 1.682 179.280 177.584 0.023 0.000 1.159 163 A CA 1.282 53.336 52.037 0.028 0.000 0.656 163 A CB -0.254 18.761 19.000 0.025 0.000 0.800 163 A HN 0.399 nan 8.150 nan 0.000 0.453 164 R N -0.991 119.524 120.500 0.026 0.000 2.629 164 R HA 0.306 4.646 4.340 -0.000 0.000 0.386 164 R C 1.272 177.587 176.300 0.025 0.000 1.071 164 R CA 0.306 56.422 56.100 0.027 0.000 1.104 164 R CB -0.431 29.890 30.300 0.035 0.000 1.370 164 R HN 0.485 nan 8.270 nan 0.000 0.574 165 Q N 1.500 121.312 119.800 0.020 0.000 2.096 165 Q HA -0.239 4.101 4.340 -0.000 0.000 0.204 165 Q C 1.001 177.008 176.000 0.012 0.000 0.982 165 Q CA 2.325 58.137 55.803 0.016 0.000 0.850 165 Q CB 0.162 28.909 28.738 0.014 0.000 0.901 165 Q HN 0.467 nan 8.270 nan 0.000 0.422 166 Q N 0.627 120.433 119.800 0.011 0.000 2.050 166 Q HA -0.140 4.200 4.340 -0.000 0.000 0.202 166 Q C 1.810 177.812 176.000 0.003 0.000 0.980 166 Q CA 1.610 57.417 55.803 0.006 0.000 0.840 166 Q CB -0.356 28.385 28.738 0.006 0.000 0.898 166 Q HN 0.249 nan 8.270 nan 0.000 0.424 167 K N 0.263 120.669 120.400 0.009 0.000 2.032 167 K HA -0.275 4.045 4.320 -0.000 0.000 0.209 167 K C 2.229 178.829 176.600 -0.001 0.000 1.048 167 K CA 1.624 57.916 56.287 0.008 0.000 0.927 167 K CB 0.013 32.528 32.500 0.024 0.000 0.712 167 K HN 0.127 nan 8.250 nan 0.000 0.441 168 Q N 0.444 120.251 119.800 0.012 0.000 2.119 168 Q HA -0.059 4.281 4.340 -0.000 0.000 0.201 168 Q C 1.692 177.678 176.000 -0.023 0.000 0.972 168 Q CA 1.872 57.678 55.803 0.006 0.000 0.847 168 Q CB -0.343 28.414 28.738 0.031 0.000 0.903 168 Q HN 0.391 nan 8.270 nan 0.000 0.433 169 A N -0.075 122.738 122.820 -0.012 0.000 1.940 169 A HA -0.257 4.063 4.320 -0.000 0.000 0.219 169 A C 2.050 179.619 177.584 -0.025 0.000 1.176 169 A CA 1.870 53.900 52.037 -0.011 0.000 0.631 169 A CB -0.676 18.323 19.000 -0.002 0.000 0.814 169 A HN 0.481 nan 8.150 nan 0.000 0.446 170 Q N -0.194 119.587 119.800 -0.032 0.000 2.096 170 Q HA 0.032 4.372 4.340 -0.000 0.000 0.197 170 Q C 1.860 177.815 176.000 -0.076 0.000 0.964 170 Q CA 1.411 57.189 55.803 -0.042 0.000 0.838 170 Q CB -0.462 28.256 28.738 -0.033 0.000 0.906 170 Q HN 0.638 nan 8.270 nan 0.000 0.444 171 L N -0.332 120.824 121.223 -0.112 0.000 2.012 171 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 171 L C 2.326 179.071 176.870 -0.208 0.000 1.073 171 L CA 1.763 56.473 54.840 -0.217 0.000 0.748 171 L CB -0.891 40.960 42.059 -0.348 0.000 0.891 171 L HN 0.260 nan 8.230 nan 0.000 0.431 172 T N -0.071 114.395 114.554 -0.147 0.000 2.684 172 T HA -0.215 4.135 4.350 -0.000 0.000 0.267 172 T C 1.998 176.656 174.700 -0.069 0.000 1.036 172 T CA 1.457 63.488 62.100 -0.114 0.000 1.148 172 T CB -0.333 68.500 68.868 -0.058 0.000 0.863 172 T HN 0.461 nan 8.240 nan 0.000 0.436 173 A N 1.816 124.609 122.820 -0.046 0.000 1.978 173 A HA -0.138 4.182 4.320 -0.000 0.000 0.220 173 A C 1.757 179.315 177.584 -0.043 0.000 1.170 173 A CA 1.516 53.534 52.037 -0.030 0.000 0.636 173 A CB -0.424 18.562 19.000 -0.024 0.000 0.810 173 A HN 0.388 nan 8.150 nan 0.000 0.448 174 D N -0.903 119.457 120.400 -0.066 0.000 2.325 174 D HA 0.290 4.930 4.640 -0.000 0.000 0.234 174 D C 1.098 177.359 176.300 -0.064 0.000 1.122 174 D CA 0.936 54.900 54.000 -0.060 0.000 0.850 174 D CB -0.198 40.561 40.800 -0.068 0.000 0.921 174 D HN 0.594 nan 8.370 nan 0.000 0.513 175 G N 1.105 109.856 108.800 -0.081 0.000 2.171 175 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.238 175 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.238 175 G C 0.159 174.992 174.900 -0.113 0.000 1.039 175 G CA -0.337 44.710 45.100 -0.089 0.000 0.759 175 G HN 0.378 nan 8.290 nan 0.000 0.501 176 L N 0.294 121.405 121.223 -0.186 0.000 2.488 176 L HA 0.310 4.650 4.340 -0.000 0.000 0.250 176 L C -2.314 174.450 176.870 -0.177 0.000 1.280 176 L CA -2.012 52.709 54.840 -0.198 0.000 0.929 176 L CB 1.766 43.501 42.059 -0.540 0.000 1.200 176 L HN -0.095 nan 8.230 nan 0.000 0.495 177 P HA 0.047 nan 4.420 nan 0.000 0.269 177 P C -0.824 176.559 177.300 0.138 0.000 1.215 177 P CA -0.224 62.761 63.100 -0.191 0.000 0.780 177 P CB 0.801 32.126 31.700 -0.623 0.000 0.898 178 L N 2.546 123.770 121.223 0.002 0.000 2.325 178 L HA 0.715 5.055 4.340 -0.000 0.000 0.281 178 L C -0.097 176.606 176.870 -0.280 0.000 1.004 178 L CA -0.120 54.717 54.840 -0.006 0.000 0.823 178 L CB 0.790 42.856 42.059 0.011 0.000 1.236 178 L HN 0.430 nan 8.230 nan 0.000 0.415 179 G N 5.744 114.265 108.800 -0.464 0.000 2.388 179 G HA2 0.671 4.631 3.960 -0.000 0.000 0.330 179 G HA3 0.671 4.631 3.960 -0.000 0.000 0.330 179 G C -1.032 173.543 174.900 -0.542 0.000 1.142 179 G CA -0.521 43.871 45.100 -1.181 0.000 0.908 179 G HN 0.605 nan 8.290 nan 0.000 0.473 180 I N 1.184 121.498 120.570 -0.427 0.000 2.447 180 I HA 0.201 4.371 4.170 -0.000 0.000 0.287 180 I C -0.503 175.550 176.117 -0.107 0.000 1.023 180 I CA -0.734 60.448 61.300 -0.197 0.000 1.083 180 I CB 2.243 40.158 38.000 -0.142 0.000 1.245 180 I HN 0.472 nan 8.210 nan 0.000 0.434 181 N N 6.906 125.567 118.700 -0.066 0.000 2.419 181 N HA 0.462 5.202 4.740 -0.000 0.000 0.264 181 N C -1.175 174.307 175.510 -0.047 0.000 1.031 181 N CA -0.435 52.605 53.050 -0.016 0.000 0.951 181 N CB 0.812 39.308 38.487 0.016 0.000 1.101 181 N HN 0.487 nan 8.380 nan 0.000 0.488 182 L N 2.694 123.902 121.223 -0.025 0.000 2.275 182 L HA 0.571 4.911 4.340 -0.000 0.000 0.288 182 L C 1.083 177.991 176.870 0.064 0.000 1.046 182 L CA -0.733 54.111 54.840 0.006 0.000 0.805 182 L CB 1.412 43.518 42.059 0.077 0.000 1.193 182 L HN 0.567 nan 8.230 nan 0.000 0.426 183 G N 2.458 111.203 108.800 -0.091 0.000 2.932 183 G HA2 0.690 4.650 3.960 -0.000 0.000 0.283 183 G HA3 0.690 4.650 3.960 -0.000 0.000 0.283 183 G C -1.315 173.482 174.900 -0.171 0.000 1.336 183 G CA -0.607 44.343 45.100 -0.251 0.000 1.056 183 G HN 0.623 nan 8.290 nan 0.000 0.522 184 K N -0.762 119.523 120.400 -0.192 0.000 2.375 184 K HA 0.448 4.768 4.320 -0.000 0.000 0.249 184 K C -0.781 175.802 176.600 -0.028 0.000 0.942 184 K CA -0.867 55.303 56.287 -0.195 0.000 0.806 184 K CB 2.038 34.338 32.500 -0.334 0.000 1.227 184 K HN 0.377 nan 8.250 nan 0.000 0.430 185 N N 1.523 120.196 118.700 -0.045 0.000 2.479 185 N HA -0.034 4.706 4.740 -0.000 0.000 0.257 185 N C 0.649 176.193 175.510 0.057 0.000 1.232 185 N CA -0.128 52.933 53.050 0.018 0.000 0.920 185 N CB 1.015 39.497 38.487 -0.010 0.000 1.105 185 N HN 0.665 nan 8.380 nan 0.000 0.444 186 K N 0.451 120.903 120.400 0.088 0.000 2.020 186 K HA -0.182 4.138 4.320 -0.000 0.000 0.212 186 K C 1.120 177.744 176.600 0.040 0.000 1.050 186 K CA 1.711 58.044 56.287 0.076 0.000 0.929 186 K CB -0.182 32.360 32.500 0.071 0.000 0.714 186 K HN 0.773 nan 8.250 nan 0.000 0.443 187 T N -1.304 113.266 114.554 0.026 0.000 3.324 187 T HA 0.110 4.460 4.350 -0.000 0.000 0.250 187 T C 0.430 175.131 174.700 0.002 0.000 1.059 187 T CA -0.397 61.711 62.100 0.013 0.000 0.951 187 T CB 0.241 69.116 68.868 0.011 0.000 1.030 187 T HN 0.035 nan 8.240 nan 0.000 0.576 188 S N 0.417 116.114 115.700 -0.005 0.000 2.548 188 S HA 0.208 4.678 4.470 -0.000 0.000 0.277 188 S C 1.082 175.668 174.600 -0.023 0.000 1.315 188 S CA -0.566 57.619 58.200 -0.024 0.000 1.050 188 S CB 0.983 64.152 63.200 -0.051 0.000 0.918 188 S HN 0.541 nan 8.310 nan 0.000 0.497 189 E N 2.123 122.309 120.200 -0.024 0.000 2.042 189 E HA -0.017 4.333 4.350 -0.000 0.000 0.189 189 E C -0.174 176.412 176.600 -0.023 0.000 0.974 189 E CA 0.492 56.882 56.400 -0.018 0.000 0.806 189 E CB 0.139 29.831 29.700 -0.013 0.000 0.769 189 E HN 0.596 nan 8.360 nan 0.000 0.451 190 D N -0.309 120.070 120.400 -0.034 0.000 2.428 190 D HA 0.207 4.846 4.640 -0.000 0.000 0.221 190 D C 0.399 176.651 176.300 -0.079 0.000 1.123 190 D CA -0.096 53.882 54.000 -0.036 0.000 0.869 190 D CB 1.293 42.078 40.800 -0.025 0.000 1.032 190 D HN 0.081 nan 8.370 nan 0.000 0.506 191 A N 3.945 126.713 122.820 -0.085 0.000 1.883 191 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 191 A C 2.114 179.550 177.584 -0.246 0.000 1.186 191 A CA 1.934 53.840 52.037 -0.218 0.000 0.624 191 A CB -0.581 18.374 19.000 -0.075 0.000 0.822 191 A HN 0.614 nan 8.150 nan 0.000 0.444 192 A N -0.301 122.521 122.820 0.004 0.000 1.940 192 A HA 0.132 4.452 4.320 -0.000 0.000 0.219 192 A C 2.475 180.090 177.584 0.052 0.000 1.176 192 A CA 2.148 54.255 52.037 0.117 0.000 0.631 192 A CB -0.933 18.137 19.000 0.117 0.000 0.814 192 A HN 1.090 nan 8.150 nan 0.000 0.446 193 A N -0.170 122.643 122.820 -0.012 0.000 1.898 193 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 193 A C 1.791 179.349 177.584 -0.042 0.000 1.181 193 A CA 1.928 53.956 52.037 -0.016 0.000 0.620 193 A CB -0.573 18.412 19.000 -0.025 0.000 0.819 193 A HN 0.442 nan 8.150 nan 0.000 0.442 194 D N -1.308 119.015 120.400 -0.128 0.000 2.097 194 D HA -0.129 4.511 4.640 -0.000 0.000 0.195 194 D C 1.709 177.952 176.300 -0.095 0.000 0.989 194 D CA 1.384 55.282 54.000 -0.170 0.000 0.827 194 D CB -0.393 40.221 40.800 -0.310 0.000 0.966 194 D HN 0.679 nan 8.370 nan 0.000 0.456 195 Y N 0.762 121.060 120.300 -0.003 0.000 2.181 195 Y HA -0.195 4.355 4.550 -0.000 0.000 0.288 195 Y C 2.508 178.406 175.900 -0.003 0.000 1.146 195 Y CA 0.672 58.769 58.100 -0.004 0.000 1.164 195 Y CB -0.153 38.315 38.460 0.013 0.000 0.982 195 Y HN -0.055 nan 8.280 nan 0.000 0.515 196 A N 0.174 123.088 122.820 0.157 0.000 1.902 196 A HA -0.263 4.057 4.320 -0.000 0.000 0.217 196 A C 2.067 179.682 177.584 0.052 0.000 1.181 196 A CA 1.889 53.980 52.037 0.089 0.000 0.623 196 A CB -0.728 18.312 19.000 0.065 0.000 0.818 196 A HN 0.533 nan 8.150 nan 0.000 0.443 197 E N -0.627 119.591 120.200 0.031 0.000 2.110 197 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 197 E C 2.029 178.634 176.600 0.008 0.000 0.988 197 E CA 0.986 57.391 56.400 0.007 0.000 0.804 197 E CB -0.365 29.328 29.700 -0.013 0.000 0.745 197 E HN 0.553 nan 8.360 nan 0.000 0.458 198 G N 0.224 109.040 108.800 0.027 0.000 2.422 198 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.218 198 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.218 198 G C 1.608 176.521 174.900 0.021 0.000 1.140 198 G CA 0.747 45.860 45.100 0.022 0.000 0.775 198 G HN 0.202 nan 8.290 nan 0.000 0.545 199 V N 0.626 120.564 119.914 0.040 0.000 2.323 199 V HA -0.122 3.998 4.120 -0.000 0.000 0.244 199 V C 2.904 179.008 176.094 0.017 0.000 1.041 199 V CA 1.777 64.095 62.300 0.031 0.000 1.025 199 V CB -0.429 31.419 31.823 0.043 0.000 0.656 199 V HN 0.305 nan 8.190 nan 0.000 0.451 200 R N -0.191 120.318 120.500 0.016 0.000 2.075 200 R HA -0.113 4.227 4.340 -0.000 0.000 0.232 200 R C 2.356 178.654 176.300 -0.003 0.000 1.126 200 R CA 1.903 58.008 56.100 0.008 0.000 0.963 200 R CB -0.670 29.634 30.300 0.007 0.000 0.858 200 R HN 0.512 nan 8.270 nan 0.000 0.435 201 T N 1.175 115.723 114.554 -0.011 0.000 2.770 201 T HA 0.016 4.366 4.350 -0.000 0.000 0.258 201 T C 1.836 176.518 174.700 -0.030 0.000 1.039 201 T CA 0.909 62.993 62.100 -0.027 0.000 1.143 201 T CB 0.029 68.872 68.868 -0.041 0.000 0.866 201 T HN 0.110 nan 8.240 nan 0.000 0.428 202 L N 0.406 121.613 121.223 -0.027 0.000 2.513 202 L HA 0.305 4.645 4.340 -0.000 0.000 0.222 202 L C 2.854 179.711 176.870 -0.022 0.000 1.096 202 L CA 0.218 55.039 54.840 -0.032 0.000 0.857 202 L CB -0.555 41.478 42.059 -0.044 0.000 1.026 202 L HN 0.334 nan 8.230 nan 0.000 0.469 203 G N 1.835 110.629 108.800 -0.009 0.000 2.505 203 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.220 203 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.220 203 G C -0.765 174.138 174.900 0.005 0.000 1.145 203 G CA 0.816 45.917 45.100 0.003 0.000 0.761 203 G HN 0.301 nan 8.290 nan 0.000 0.571 204 P HA 0.022 nan 4.420 nan 0.000 0.223 204 P C 1.462 178.765 177.300 0.004 0.000 1.144 204 P CA 0.763 63.867 63.100 0.007 0.000 0.783 204 P CB -0.015 31.688 31.700 0.004 0.000 0.771 205 L N -3.160 118.058 121.223 -0.007 0.000 2.664 205 L HA 0.294 4.634 4.340 -0.000 0.000 0.233 205 L C 1.021 177.873 176.870 -0.029 0.000 1.113 205 L CA -0.371 54.461 54.840 -0.013 0.000 0.896 205 L CB -0.051 41.997 42.059 -0.018 0.000 1.163 205 L HN -0.172 nan 8.230 nan 0.000 0.497 206 A N -0.512 122.287 122.820 -0.035 0.000 2.295 206 A HA 0.351 4.671 4.320 -0.000 0.000 0.318 206 A C 0.117 177.669 177.584 -0.054 0.000 1.134 206 A CA -0.475 51.519 52.037 -0.073 0.000 0.827 206 A CB 0.651 19.597 19.000 -0.091 0.000 1.136 206 A HN 0.049 nan 8.150 nan 0.000 0.493 207 D N -0.839 119.479 120.400 -0.136 0.000 2.301 207 D HA 0.135 4.775 4.640 -0.000 0.000 0.206 207 D C -0.174 176.149 176.300 0.039 0.000 0.979 207 D CA 1.739 55.613 54.000 -0.209 0.000 0.874 207 D CB 0.132 40.544 40.800 -0.647 0.000 0.968 207 D HN 0.651 nan 8.370 nan 0.000 0.510 208 Y N -1.363 118.922 120.300 -0.025 0.000 2.581 208 Y HA 0.596 5.146 4.550 -0.000 0.000 0.337 208 Y C -1.828 174.092 175.900 0.034 0.000 1.108 208 Y CA -1.349 56.775 58.100 0.040 0.000 1.033 208 Y CB 0.922 39.429 38.460 0.079 0.000 1.318 208 Y HN -0.342 nan 8.280 nan 0.000 0.459 209 L N 3.432 124.813 121.223 0.265 0.000 2.354 209 L HA 0.842 5.182 4.340 -0.000 0.000 0.269 209 L C -1.083 175.907 176.870 0.201 0.000 1.005 209 L CA -1.379 53.541 54.840 0.133 0.000 0.819 209 L CB 2.267 44.364 42.059 0.063 0.000 1.311 209 L HN 0.619 nan 8.230 nan 0.000 0.423 210 V N 2.502 122.491 119.914 0.125 0.000 2.604 210 V HA 0.541 4.661 4.120 -0.000 0.000 0.305 210 V C -0.463 175.613 176.094 -0.029 0.000 1.043 210 V CA -0.732 61.625 62.300 0.096 0.000 0.888 210 V CB 2.395 34.314 31.823 0.160 0.000 0.995 210 V HN 0.412 nan 8.190 nan 0.000 0.429 211 V N 3.995 123.846 119.914 -0.105 0.000 2.444 211 V HA 0.381 4.501 4.120 -0.000 0.000 0.294 211 V C 0.023 176.011 176.094 -0.177 0.000 1.022 211 V CA -0.650 61.464 62.300 -0.311 0.000 0.850 211 V CB 1.685 33.196 31.823 -0.520 0.000 0.992 211 V HN 0.952 nan 8.190 nan 0.000 0.426 212 N N 2.391 121.045 118.700 -0.078 0.000 2.513 212 N HA 0.455 5.195 4.740 -0.000 0.000 0.274 212 N C 0.143 175.699 175.510 0.077 0.000 1.189 212 N CA -0.271 52.819 53.050 0.067 0.000 0.975 212 N CB 1.879 40.498 38.487 0.219 0.000 1.157 212 N HN 0.594 nan 8.380 nan 0.000 0.465 213 V N -1.978 117.984 119.914 0.081 0.000 3.265 213 V HA 0.234 4.354 4.120 -0.000 0.000 0.346 213 V C 0.498 176.639 176.094 0.078 0.000 1.447 213 V CA -0.264 62.087 62.300 0.085 0.000 1.179 213 V CB -0.101 31.752 31.823 0.050 0.000 1.103 213 V HN 0.691 nan 8.190 nan 0.000 0.530 214 S N -2.042 113.712 115.700 0.090 0.000 2.679 214 S HA 0.236 4.706 4.470 -0.000 0.000 0.258 214 S C 0.966 175.601 174.600 0.058 0.000 1.068 214 S CA 0.591 58.833 58.200 0.068 0.000 1.115 214 S CB 0.356 63.595 63.200 0.064 0.000 1.078 214 S HN 0.764 nan 8.310 nan 0.000 0.603 226 G N 0.328 109.154 108.800 0.044 0.000 3.105 226 G HA2 0.347 4.307 3.960 -0.000 0.000 0.277 226 G HA3 0.347 4.307 3.960 -0.000 0.000 0.277 226 G C -0.033 174.892 174.900 0.041 0.000 1.375 226 G CA -0.554 44.569 45.100 0.038 0.000 0.962 226 G HN 0.534 nan 8.290 nan 0.000 0.541 227 K N -0.930 119.488 120.400 0.031 0.000 2.211 227 K HA -0.108 4.212 4.320 -0.000 0.000 0.204 227 K C 2.276 178.891 176.600 0.026 0.000 1.047 227 K CA 2.038 58.337 56.287 0.021 0.000 0.935 227 K CB -0.314 32.192 32.500 0.010 0.000 0.728 227 K HN 0.421 nan 8.250 nan 0.000 0.452 228 T N 1.164 115.749 114.554 0.051 0.000 2.674 228 T HA -0.116 4.234 4.350 -0.000 0.000 0.265 228 T C 1.385 176.192 174.700 0.180 0.000 1.039 228 T CA 1.575 63.733 62.100 0.098 0.000 1.150 228 T CB -0.143 68.803 68.868 0.130 0.000 0.864 228 T HN 0.409 nan 8.240 nan 0.000 0.427 229 E N 0.610 120.900 120.200 0.150 0.000 2.150 229 E HA -0.074 4.276 4.350 -0.000 0.000 0.193 229 E C 2.150 178.828 176.600 0.131 0.000 0.985 229 E CA 0.594 57.088 56.400 0.157 0.000 0.814 229 E CB -0.220 29.540 29.700 0.099 0.000 0.752 229 E HN 0.229 nan 8.360 nan 0.000 0.466 230 L N 1.482 122.755 121.223 0.083 0.000 2.056 230 L HA -0.140 4.200 4.340 -0.000 0.000 0.207 230 L C 2.385 179.275 176.870 0.033 0.000 1.078 230 L CA 1.726 56.601 54.840 0.058 0.000 0.749 230 L CB -0.353 41.727 42.059 0.036 0.000 0.901 230 L HN -0.091 nan 8.230 nan 0.000 0.433 231 R N -1.586 118.907 120.500 -0.011 0.000 2.073 231 R HA -0.196 4.144 4.340 -0.000 0.000 0.234 231 R C 2.377 178.614 176.300 -0.105 0.000 1.134 231 R CA 1.704 57.748 56.100 -0.093 0.000 0.952 231 R CB -0.442 29.745 30.300 -0.187 0.000 0.850 231 R HN 0.548 nan 8.270 nan 0.000 0.433 232 H N 0.297 119.383 119.070 0.027 0.000 2.389 232 H HA -0.135 4.421 4.556 -0.000 0.000 0.299 232 H C 2.073 177.427 175.328 0.043 0.000 1.081 232 H CA 1.547 57.614 56.048 0.031 0.000 1.345 232 H CB -0.108 29.672 29.762 0.030 0.000 1.393 232 H HN 0.219 nan 8.280 nan 0.000 0.520 233 L N 0.930 122.254 121.223 0.168 0.000 2.027 233 L HA -0.106 4.234 4.340 -0.000 0.000 0.206 233 L C 2.193 179.125 176.870 0.104 0.000 1.074 233 L CA 1.365 56.294 54.840 0.148 0.000 0.745 233 L CB -0.900 41.255 42.059 0.160 0.000 0.898 233 L HN 0.102 nan 8.230 nan 0.000 0.433 234 L N -0.413 120.844 121.223 0.056 0.000 2.109 234 L HA -0.132 4.208 4.340 -0.000 0.000 0.207 234 L C 2.715 179.598 176.870 0.021 0.000 1.086 234 L CA 1.234 56.086 54.840 0.019 0.000 0.760 234 L CB -0.815 41.241 42.059 -0.006 0.000 0.910 234 L HN 0.520 nan 8.230 nan 0.000 0.437 235 S N -0.050 115.663 115.700 0.021 0.000 2.382 235 S HA -0.281 4.189 4.470 -0.000 0.000 0.228 235 S C 1.998 176.624 174.600 0.044 0.000 1.027 235 S CA 1.423 59.634 58.200 0.019 0.000 0.991 235 S CB -0.339 62.864 63.200 0.004 0.000 0.823 235 S HN 0.370 nan 8.310 nan 0.000 0.469 236 K N 0.790 121.232 120.400 0.070 0.000 2.155 236 K HA 0.031 4.351 4.320 -0.000 0.000 0.203 236 K C 1.910 178.549 176.600 0.066 0.000 1.052 236 K CA 1.090 57.421 56.287 0.073 0.000 0.948 236 K CB -0.236 32.319 32.500 0.090 0.000 0.728 236 K HN 0.318 nan 8.250 nan 0.000 0.448 237 V N 1.633 121.586 119.914 0.065 0.000 2.307 237 V HA -0.241 3.879 4.120 -0.000 0.000 0.245 237 V C 2.254 178.370 176.094 0.036 0.000 1.045 237 V CA 1.542 63.874 62.300 0.054 0.000 1.024 237 V CB -0.322 31.514 31.823 0.023 0.000 0.651 237 V HN 0.320 nan 8.190 nan 0.000 0.449 238 L N -0.280 120.959 121.223 0.026 0.000 2.083 238 L HA -0.239 4.101 4.340 -0.000 0.000 0.209 238 L C 2.651 179.536 176.870 0.025 0.000 1.083 238 L CA 1.868 56.721 54.840 0.021 0.000 0.752 238 L CB -0.595 41.471 42.059 0.013 0.000 0.899 238 L HN 0.429 nan 8.230 nan 0.000 0.433 239 Q N 0.242 120.059 119.800 0.029 0.000 2.084 239 Q HA -0.278 4.062 4.340 -0.000 0.000 0.202 239 Q C 2.076 178.093 176.000 0.029 0.000 0.978 239 Q CA 1.844 57.664 55.803 0.028 0.000 0.844 239 Q CB 0.104 28.862 28.738 0.033 0.000 0.898 239 Q HN 0.340 nan 8.270 nan 0.000 0.426 240 E N 0.366 120.587 120.200 0.034 0.000 2.106 240 E HA -0.170 4.180 4.350 -0.000 0.000 0.192 240 E C 1.980 178.598 176.600 0.030 0.000 0.984 240 E CA 0.907 57.327 56.400 0.033 0.000 0.806 240 E CB -0.119 29.606 29.700 0.042 0.000 0.750 240 E HN 0.147 nan 8.360 nan 0.000 0.458 241 R N 0.749 121.267 120.500 0.031 0.000 2.066 241 R HA -0.117 4.223 4.340 -0.000 0.000 0.232 241 R C 1.003 177.319 176.300 0.027 0.000 1.131 241 R CA 1.799 57.917 56.100 0.031 0.000 0.955 241 R CB -0.579 29.741 30.300 0.033 0.000 0.851 241 R HN 0.216 nan 8.270 nan 0.000 0.432 242 D N 0.268 120.682 120.400 0.024 0.000 2.264 242 D HA -0.076 4.564 4.640 -0.000 0.000 0.208 242 D C 1.311 177.622 176.300 0.018 0.000 0.966 242 D CA 1.137 55.149 54.000 0.020 0.000 0.864 242 D CB -0.016 40.794 40.800 0.017 0.000 0.933 242 D HN 0.327 nan 8.370 nan 0.000 0.499 243 A N 0.165 122.996 122.820 0.019 0.000 2.238 243 A HA 0.115 4.435 4.320 -0.000 0.000 0.208 243 A C 1.097 178.691 177.584 0.016 0.000 1.177 243 A CA -0.147 51.900 52.037 0.017 0.000 0.804 243 A CB -0.222 18.789 19.000 0.018 0.000 0.823 243 A HN 0.135 nan 8.150 nan 0.000 0.482 244 L N 0.754 121.988 121.223 0.018 0.000 2.456 244 L HA 0.090 4.430 4.340 -0.000 0.000 0.272 244 L C 0.950 177.829 176.870 0.015 0.000 1.189 244 L CA -0.183 54.668 54.840 0.017 0.000 0.846 244 L CB 0.475 42.547 42.059 0.021 0.000 1.111 244 L HN 0.229 nan 8.230 nan 0.000 0.475 245 K N 2.158 122.566 120.400 0.013 0.000 2.258 245 K HA 0.465 4.785 4.320 -0.000 0.000 0.264 245 K C 0.104 176.711 176.600 0.013 0.000 1.007 245 K CA 0.671 56.965 56.287 0.012 0.000 0.941 245 K CB 0.944 33.450 32.500 0.010 0.000 0.966 245 K HN 0.807 nan 8.250 nan 0.000 0.480 246 G N 1.288 110.095 108.800 0.011 0.000 2.592 246 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.684 246 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.684 246 G C 0.350 175.256 174.900 0.011 0.000 1.291 246 G CA -0.133 44.974 45.100 0.012 0.000 0.891 246 G HN 0.515 nan 8.290 nan 0.000 0.544 247 T N 0.270 114.830 114.554 0.010 0.000 2.953 247 T HA 0.352 4.702 4.350 -0.000 0.000 0.247 247 T C 1.996 176.701 174.700 0.008 0.000 1.029 247 T CA 2.124 64.228 62.100 0.006 0.000 1.144 247 T CB -0.112 68.757 68.868 0.001 0.000 0.870 247 T HN 1.503 nan 8.240 nan 0.000 0.446 248 R N 3.178 123.687 120.500 0.015 0.000 2.612 248 R HA 0.283 4.623 4.340 -0.000 0.000 0.273 248 R C -0.151 176.177 176.300 0.048 0.000 1.376 248 R CA -0.172 55.943 56.100 0.025 0.000 1.171 248 R CB -1.066 29.257 30.300 0.038 0.000 1.151 248 R HN 0.147 nan 8.270 nan 0.000 0.560 249 K N 4.422 124.847 120.400 0.042 0.000 2.312 249 K HA 0.244 4.564 4.320 -0.000 0.000 0.287 249 K C -2.200 174.453 176.600 0.089 0.000 1.062 249 K CA -1.921 54.398 56.287 0.053 0.000 0.934 249 K CB 1.899 34.422 32.500 0.038 0.000 1.027 249 K HN 0.504 nan 8.250 nan 0.000 0.478 250 P HA 0.038 nan 4.420 nan 0.000 0.269 250 P C -0.474 176.912 177.300 0.143 0.000 1.209 250 P CA -0.297 62.892 63.100 0.150 0.000 0.776 250 P CB 0.673 32.437 31.700 0.107 0.000 0.876 251 A N 2.594 125.531 122.820 0.195 0.000 2.386 251 A HA 0.378 4.698 4.320 -0.000 0.000 0.248 251 A C -0.101 177.568 177.584 0.141 0.000 1.082 251 A CA -0.347 51.780 52.037 0.149 0.000 0.789 251 A CB 0.169 19.265 19.000 0.159 0.000 1.025 251 A HN 0.393 nan 8.150 nan 0.000 0.490 252 V N 3.421 123.385 119.914 0.083 0.000 2.409 252 V HA 0.373 4.493 4.120 -0.000 0.000 0.291 252 V C -0.320 175.795 176.094 0.035 0.000 1.020 252 V CA -0.410 61.930 62.300 0.066 0.000 0.848 252 V CB 1.104 32.948 31.823 0.034 0.000 0.990 252 V HN 0.698 nan 8.190 nan 0.000 0.430 253 L N 4.958 126.208 121.223 0.046 0.000 2.330 253 L HA 0.703 5.043 4.340 -0.000 0.000 0.271 253 L C -0.479 176.390 176.870 -0.002 0.000 1.013 253 L CA -0.872 53.971 54.840 0.005 0.000 0.816 253 L CB 2.179 44.228 42.059 -0.018 0.000 1.287 253 L HN 0.295 nan 8.230 nan 0.000 0.435 254 V N 1.832 121.737 119.914 -0.015 0.000 2.417 254 V HA 0.353 4.473 4.120 -0.000 0.000 0.291 254 V C -0.011 176.084 176.094 0.002 0.000 1.024 254 V CA -0.779 61.509 62.300 -0.020 0.000 0.861 254 V CB 2.077 33.885 31.823 -0.024 0.000 0.985 254 V HN 0.643 nan 8.190 nan 0.000 0.436 255 K N 5.788 126.197 120.400 0.015 0.000 2.213 255 K HA 0.682 5.002 4.320 -0.000 0.000 0.270 255 K C -0.648 175.977 176.600 0.042 0.000 1.002 255 K CA -0.520 55.791 56.287 0.041 0.000 0.868 255 K CB 1.126 33.668 32.500 0.070 0.000 1.093 255 K HN 0.779 nan 8.250 nan 0.000 0.454 256 I N 0.565 121.158 120.570 0.039 0.000 2.797 256 I HA 0.684 4.854 4.170 -0.000 0.000 0.307 256 I C -0.304 175.837 176.117 0.041 0.000 1.033 256 I CA -1.090 60.233 61.300 0.038 0.000 1.071 256 I CB 2.045 40.062 38.000 0.028 0.000 1.255 256 I HN 0.580 nan 8.210 nan 0.000 0.445 257 A N 4.643 127.486 122.820 0.038 0.000 2.257 257 A HA 0.661 4.981 4.320 -0.000 0.000 0.289 257 A C -1.861 175.740 177.584 0.028 0.000 1.095 257 A CA -1.469 50.588 52.037 0.034 0.000 0.836 257 A CB -0.166 18.852 19.000 0.029 0.000 1.111 257 A HN 0.763 nan 8.150 nan 0.000 0.497 258 P HA 0.063 nan 4.420 nan 0.000 0.251 258 P C -0.590 176.720 177.300 0.016 0.000 1.223 258 P CA 0.387 63.499 63.100 0.020 0.000 0.796 258 P CB 0.175 31.886 31.700 0.018 0.000 1.068 259 D N 1.541 121.950 120.400 0.015 0.000 2.522 259 D HA 0.287 4.927 4.640 -0.000 0.000 0.218 259 D C 0.149 176.457 176.300 0.014 0.000 1.149 259 D CA 0.297 54.304 54.000 0.012 0.000 0.981 259 D CB 0.390 41.196 40.800 0.009 0.000 1.041 259 D HN 0.232 nan 8.370 nan 0.000 0.518 260 L N 0.770 122.002 121.223 0.015 0.000 2.422 260 L HA 0.331 4.671 4.340 -0.000 0.000 0.264 260 L C 0.902 177.780 176.870 0.014 0.000 0.984 260 L CA -0.955 53.895 54.840 0.015 0.000 0.819 260 L CB 2.249 44.319 42.059 0.018 0.000 1.330 260 L HN 0.080 nan 8.230 nan 0.000 0.410 261 T N -1.309 113.253 114.554 0.013 0.000 2.788 261 T HA 0.351 4.701 4.350 -0.000 0.000 0.287 261 T C 1.260 175.967 174.700 0.012 0.000 1.007 261 T CA 0.058 62.165 62.100 0.011 0.000 1.005 261 T CB 1.436 70.310 68.868 0.011 0.000 1.012 261 T HN 0.663 nan 8.240 nan 0.000 0.530 262 A N -0.147 122.680 122.820 0.011 0.000 1.940 262 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 262 A C 2.439 180.030 177.584 0.011 0.000 1.176 262 A CA 1.865 53.909 52.037 0.012 0.000 0.631 262 A CB -1.129 17.878 19.000 0.011 0.000 0.814 262 A HN 0.962 nan 8.150 nan 0.000 0.446 263 Q N -0.515 119.291 119.800 0.010 0.000 2.079 263 Q HA -0.200 4.140 4.340 -0.000 0.000 0.200 263 Q C 1.280 177.286 176.000 0.010 0.000 0.974 263 Q CA 1.589 57.397 55.803 0.009 0.000 0.840 263 Q CB -0.141 28.602 28.738 0.010 0.000 0.898 263 Q HN 0.633 nan 8.270 nan 0.000 0.430 264 D N 0.611 121.018 120.400 0.012 0.000 2.104 264 D HA -0.173 4.467 4.640 -0.000 0.000 0.194 264 D C 1.738 178.045 176.300 0.012 0.000 0.994 264 D CA 1.293 55.301 54.000 0.013 0.000 0.830 264 D CB -0.062 40.747 40.800 0.016 0.000 0.959 264 D HN 0.262 nan 8.370 nan 0.000 0.452 265 K N 0.600 121.007 120.400 0.012 0.000 2.097 265 K HA -0.136 4.184 4.320 -0.000 0.000 0.206 265 K C 2.144 178.748 176.600 0.006 0.000 1.049 265 K CA 1.007 57.301 56.287 0.011 0.000 0.933 265 K CB -0.039 32.471 32.500 0.016 0.000 0.717 265 K HN 0.260 nan 8.250 nan 0.000 0.442 266 E N 0.733 120.936 120.200 0.005 0.000 2.072 266 E HA -0.157 4.193 4.350 -0.000 0.000 0.191 266 E C 1.617 178.215 176.600 -0.004 0.000 0.985 266 E CA 1.060 57.460 56.400 -0.000 0.000 0.801 266 E CB 0.010 29.711 29.700 0.001 0.000 0.750 266 E HN 0.246 nan 8.360 nan 0.000 0.452 267 D N 0.840 121.240 120.400 0.000 0.000 2.117 267 D HA -0.121 4.519 4.640 -0.000 0.000 0.197 267 D C 2.000 178.298 176.300 -0.005 0.000 0.987 267 D CA 0.855 54.854 54.000 -0.001 0.000 0.829 267 D CB -0.152 40.651 40.800 0.005 0.000 0.961 267 D HN 0.174 nan 8.370 nan 0.000 0.460 268 I N 1.149 121.719 120.570 -0.001 0.000 2.179 268 I HA -0.251 3.919 4.170 -0.000 0.000 0.242 268 I C 2.492 178.601 176.117 -0.013 0.000 1.088 268 I CA 1.032 62.330 61.300 -0.004 0.000 1.357 268 I CB -0.231 37.770 38.000 0.002 0.000 1.051 268 I HN -0.077 nan 8.210 nan 0.000 0.409 269 A N -0.138 122.673 122.820 -0.015 0.000 1.883 269 A HA -0.269 4.051 4.320 -0.000 0.000 0.217 269 A C 2.501 180.067 177.584 -0.031 0.000 1.186 269 A CA 2.385 54.406 52.037 -0.026 0.000 0.624 269 A CB -0.922 18.062 19.000 -0.027 0.000 0.822 269 A HN 0.418 nan 8.150 nan 0.000 0.444 270 S N -0.739 114.946 115.700 -0.025 0.000 2.356 270 S HA -0.131 4.338 4.470 -0.000 0.000 0.223 270 S C 1.918 176.501 174.600 -0.030 0.000 1.032 270 S CA 1.738 59.922 58.200 -0.027 0.000 1.005 270 S CB -0.537 62.651 63.200 -0.021 0.000 0.867 270 S HN 0.298 nan 8.310 nan 0.000 0.449 271 V N 2.185 122.083 119.914 -0.027 0.000 2.407 271 V HA -0.097 4.023 4.120 -0.000 0.000 0.248 271 V C 2.884 178.959 176.094 -0.033 0.000 1.055 271 V CA 1.703 63.983 62.300 -0.032 0.000 1.049 271 V CB -1.367 30.439 31.823 -0.028 0.000 0.662 271 V HN 0.622 nan 8.190 nan 0.000 0.455 272 A N 0.157 122.958 122.820 -0.030 0.000 1.902 272 A HA -0.252 4.068 4.320 -0.000 0.000 0.217 272 A C 2.321 179.882 177.584 -0.038 0.000 1.181 272 A CA 2.143 54.160 52.037 -0.033 0.000 0.623 272 A CB -0.500 18.480 19.000 -0.033 0.000 0.818 272 A HN 0.450 nan 8.150 nan 0.000 0.443 273 R N -0.023 120.453 120.500 -0.041 0.000 2.075 273 R HA -0.095 4.245 4.340 -0.000 0.000 0.232 273 R C 2.151 178.428 176.300 -0.039 0.000 1.126 273 R CA 1.829 57.901 56.100 -0.045 0.000 0.963 273 R CB -0.391 29.880 30.300 -0.049 0.000 0.858 273 R HN 0.724 nan 8.270 nan 0.000 0.435 274 E N -0.087 120.091 120.200 -0.037 0.000 2.047 274 E HA -0.156 4.194 4.350 -0.000 0.000 0.191 274 E C 1.584 178.163 176.600 -0.034 0.000 0.987 274 E CA 1.229 57.608 56.400 -0.035 0.000 0.799 274 E CB -0.011 29.666 29.700 -0.038 0.000 0.752 274 E HN 0.375 nan 8.360 nan 0.000 0.449 275 L N -0.606 120.596 121.223 -0.035 0.000 2.418 275 L HA 0.141 4.481 4.340 -0.000 0.000 0.218 275 L C 1.339 178.195 176.870 -0.023 0.000 1.125 275 L CA 0.520 55.342 54.840 -0.030 0.000 0.835 275 L CB 0.049 42.089 42.059 -0.031 0.000 0.953 275 L HN 0.434 nan 8.230 nan 0.000 0.454 276 G N 1.248 110.032 108.800 -0.026 0.000 2.171 276 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.238 276 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.238 276 G C 0.175 175.063 174.900 -0.020 0.000 1.039 276 G CA -0.345 44.741 45.100 -0.023 0.000 0.759 276 G HN 0.238 nan 8.290 nan 0.000 0.501 277 I N 0.427 120.983 120.570 -0.023 0.000 2.872 277 I HA 0.015 4.185 4.170 -0.000 0.000 0.291 277 I C 1.333 177.437 176.117 -0.022 0.000 1.216 277 I CA 0.128 61.416 61.300 -0.020 0.000 1.424 277 I CB 0.449 38.434 38.000 -0.024 0.000 1.351 277 I HN 0.117 nan 8.210 nan 0.000 0.592 278 D N 4.094 124.486 120.400 -0.014 0.000 2.317 278 D HA 0.112 4.752 4.640 -0.000 0.000 0.211 278 D C 0.679 176.954 176.300 -0.041 0.000 0.966 278 D CA 0.584 54.573 54.000 -0.018 0.000 0.876 278 D CB 0.475 41.279 40.800 0.006 0.000 0.927 278 D HN 0.764 nan 8.370 nan 0.000 0.519 279 G N -0.428 108.343 108.800 -0.048 0.000 2.441 279 G HA2 0.498 4.458 3.960 -0.000 0.000 0.294 279 G HA3 0.498 4.458 3.960 -0.000 0.000 0.294 279 G C -2.030 172.838 174.900 -0.054 0.000 1.393 279 G CA -0.821 44.238 45.100 -0.068 0.000 0.796 279 G HN 0.030 nan 8.290 nan 0.000 0.494 280 L N 0.150 121.342 121.223 -0.052 0.000 2.408 280 L HA 0.590 4.930 4.340 -0.000 0.000 0.268 280 L C -0.564 176.291 176.870 -0.025 0.000 0.986 280 L CA -0.797 54.026 54.840 -0.028 0.000 0.820 280 L CB 2.491 44.542 42.059 -0.014 0.000 1.303 280 L HN 0.377 nan 8.230 nan 0.000 0.411 281 I N 3.348 123.917 120.570 -0.001 0.000 2.328 281 I HA 0.267 4.437 4.170 -0.000 0.000 0.287 281 I C -0.470 175.666 176.117 0.031 0.000 1.012 281 I CA -0.689 60.623 61.300 0.020 0.000 1.195 281 I CB 1.832 39.864 38.000 0.053 0.000 1.350 281 I HN 0.211 nan 8.210 nan 0.000 0.464 282 V N 5.783 125.715 119.914 0.030 0.000 2.334 282 V HA 0.328 4.448 4.120 -0.000 0.000 0.267 282 V C -0.046 176.072 176.094 0.040 0.000 1.040 282 V CA -0.001 62.319 62.300 0.034 0.000 0.866 282 V CB 0.667 32.509 31.823 0.031 0.000 1.019 282 V HN 0.969 nan 8.190 nan 0.000 0.468 283 T N 4.014 118.593 114.554 0.042 0.000 1.256 283 T HA -0.144 4.206 4.350 -0.000 0.000 0.701 283 T C -0.176 174.556 174.700 0.053 0.000 0.968 283 T CA -0.221 61.905 62.100 0.043 0.000 3.707 283 T CB -0.617 68.273 68.868 0.036 0.000 2.124 283 T HN 0.762 nan 8.240 nan 0.000 0.419 284 N N 1.253 119.986 118.700 0.055 0.000 2.443 284 N HA 0.517 5.257 4.740 -0.000 0.000 0.294 284 N C 0.903 176.440 175.510 0.046 0.000 1.289 284 N CA 0.378 53.467 53.050 0.065 0.000 0.966 284 N CB 0.702 39.230 38.487 0.069 0.000 1.122 284 N HN 0.816 nan 8.380 nan 0.000 0.569 285 T N -2.352 112.226 114.554 0.039 0.000 2.766 285 T HA 0.216 4.566 4.350 -0.000 0.000 0.295 285 T C 0.437 175.146 174.700 0.014 0.000 1.024 285 T CA -0.446 61.666 62.100 0.020 0.000 1.018 285 T CB 0.686 69.561 68.868 0.012 0.000 1.002 285 T HN 0.404 nan 8.240 nan 0.000 0.532 286 T N -0.195 114.363 114.554 0.007 0.000 2.855 286 T HA 0.410 4.760 4.350 -0.000 0.000 0.281 286 T C 1.084 175.781 174.700 -0.004 0.000 1.007 286 T CA -0.436 61.666 62.100 0.003 0.000 1.009 286 T CB 0.989 69.858 68.868 0.002 0.000 0.983 286 T HN 0.827 nan 8.240 nan 0.000 0.455 287 V N 2.244 122.155 119.914 -0.006 0.000 3.623 287 V HA 0.283 4.403 4.120 -0.000 0.000 0.271 287 V C 0.984 177.068 176.094 -0.016 0.000 1.248 287 V CA 0.333 62.626 62.300 -0.013 0.000 1.156 287 V CB -1.314 30.501 31.823 -0.012 0.000 0.870 287 V HN 0.799 nan 8.190 nan 0.000 0.453 288 S N 1.408 117.100 115.700 -0.013 0.000 2.632 288 S HA 0.607 5.077 4.470 -0.000 0.000 0.271 288 S C 0.020 174.608 174.600 -0.021 0.000 1.260 288 S CA -0.782 57.408 58.200 -0.016 0.000 1.010 288 S CB 1.279 64.472 63.200 -0.011 0.000 0.965 288 S HN 0.507 nan 8.310 nan 0.000 0.534 289 R N 1.685 122.170 120.500 -0.025 0.000 2.472 289 R HA 0.392 4.732 4.340 -0.000 0.000 0.294 289 R C -2.999 173.286 176.300 -0.026 0.000 1.243 289 R CA -1.654 54.428 56.100 -0.030 0.000 1.023 289 R CB 0.498 30.775 30.300 -0.038 0.000 1.157 289 R HN 0.548 nan 8.270 nan 0.000 0.530 290 P HA -0.021 nan 4.420 nan 0.000 0.265 290 P C 0.122 177.408 177.300 -0.024 0.000 1.187 290 P CA -0.176 62.910 63.100 -0.022 0.000 0.766 290 P CB 0.608 32.295 31.700 -0.023 0.000 0.820 291 V N 2.551 122.452 119.914 -0.021 0.000 2.763 291 V HA 0.283 4.403 4.120 -0.000 0.000 0.306 291 V C 1.574 177.654 176.094 -0.023 0.000 1.059 291 V CA 1.850 64.138 62.300 -0.021 0.000 1.138 291 V CB 0.110 31.922 31.823 -0.018 0.000 0.940 291 V HN 1.043 nan 8.190 nan 0.000 0.489 292 G N 3.665 112.450 108.800 -0.024 0.000 2.176 292 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.232 292 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.232 292 G C 0.060 174.941 174.900 -0.031 0.000 0.986 292 G CA -0.098 44.987 45.100 -0.026 0.000 0.643 292 G HN 0.560 nan 8.290 nan 0.000 0.522 293 L N 0.520 121.723 121.223 -0.033 0.000 2.453 293 L HA 0.283 4.623 4.340 -0.000 0.000 0.272 293 L C 1.654 178.502 176.870 -0.035 0.000 1.182 293 L CA 0.292 55.110 54.840 -0.037 0.000 0.858 293 L CB 0.989 43.025 42.059 -0.038 0.000 1.120 293 L HN 0.294 nan 8.230 nan 0.000 0.474 294 Q N 1.805 121.582 119.800 -0.038 0.000 2.317 294 Q HA 0.138 4.478 4.340 -0.000 0.000 0.220 294 Q C 0.898 176.882 176.000 -0.026 0.000 0.873 294 Q CA -0.162 55.622 55.803 -0.031 0.000 0.936 294 Q CB 0.833 29.552 28.738 -0.032 0.000 1.105 294 Q HN 0.851 nan 8.270 nan 0.000 0.520 295 G N 0.307 109.090 108.800 -0.027 0.000 2.340 295 G HA2 0.198 4.158 3.960 -0.000 0.000 0.245 295 G HA3 0.198 4.158 3.960 -0.000 0.000 0.245 295 G C 0.795 175.684 174.900 -0.019 0.000 1.294 295 G CA 0.353 45.444 45.100 -0.013 0.000 0.896 295 G HN 0.281 nan 8.290 nan 0.000 0.522 296 A N 2.661 125.475 122.820 -0.011 0.000 2.019 296 A HA -0.017 4.303 4.320 -0.000 0.000 0.219 296 A C 2.052 179.610 177.584 -0.042 0.000 1.164 296 A CA 0.805 52.830 52.037 -0.020 0.000 0.644 296 A CB -0.125 18.871 19.000 -0.007 0.000 0.805 296 A HN 0.616 nan 8.150 nan 0.000 0.449 297 L N -0.017 121.180 121.223 -0.044 0.000 2.627 297 L HA 0.030 4.370 4.340 -0.000 0.000 0.232 297 L C 2.263 179.036 176.870 -0.163 0.000 1.150 297 L CA 0.222 54.992 54.840 -0.116 0.000 0.917 297 L CB -0.233 41.782 42.059 -0.074 0.000 1.104 297 L HN 0.517 nan 8.230 nan 0.000 0.445 298 R N -0.314 120.126 120.500 -0.101 0.000 2.193 298 R HA -0.130 4.210 4.340 -0.000 0.000 0.229 298 R C 1.955 178.185 176.300 -0.117 0.000 1.110 298 R CA 1.535 57.578 56.100 -0.094 0.000 0.988 298 R CB -0.779 29.484 30.300 -0.061 0.000 0.871 298 R HN 0.376 nan 8.270 nan 0.000 0.458 299 S N 0.040 115.661 115.700 -0.130 0.000 2.522 299 S HA 0.005 4.475 4.470 -0.000 0.000 0.227 299 S C 0.393 174.889 174.600 -0.172 0.000 0.986 299 S CA -0.065 58.060 58.200 -0.125 0.000 0.929 299 S CB -0.033 63.105 63.200 -0.102 0.000 0.769 299 S HN 0.203 nan 8.310 nan 0.000 0.529 300 E N 2.632 122.664 120.200 -0.280 0.000 2.413 300 E HA 0.172 4.522 4.350 -0.000 0.000 0.263 300 E C 0.005 176.461 176.600 -0.240 0.000 1.015 300 E CA 0.321 56.485 56.400 -0.393 0.000 0.916 300 E CB 0.499 29.652 29.700 -0.910 0.000 0.947 300 E HN 0.212 nan 8.360 nan 0.000 0.440 301 T N 1.065 115.519 114.554 -0.168 0.000 2.868 301 T HA 0.539 4.889 4.350 -0.000 0.000 0.292 301 T C 0.419 175.097 174.700 -0.037 0.000 1.028 301 T CA 0.454 62.507 62.100 -0.078 0.000 1.059 301 T CB 0.938 69.779 68.868 -0.044 0.000 0.991 301 T HN 0.660 nan 8.240 nan 0.000 0.531 302 G N 0.208 108.997 108.800 -0.018 0.000 2.331 302 G HA2 0.365 4.325 3.960 -0.000 0.000 0.402 302 G HA3 0.365 4.325 3.960 -0.000 0.000 0.402 302 G C -0.387 174.512 174.900 -0.002 0.000 1.275 302 G CA -0.542 44.562 45.100 0.007 0.000 1.003 302 G HN 0.924 nan 8.290 nan 0.000 0.500 303 G N -0.845 107.959 108.800 0.006 0.000 2.332 303 G HA2 0.689 4.649 3.960 -0.000 0.000 0.310 303 G HA3 0.689 4.649 3.960 -0.000 0.000 0.310 303 G C -0.450 174.452 174.900 0.003 0.000 1.123 303 G CA -0.181 44.920 45.100 0.002 0.000 0.873 303 G HN 1.314 nan 8.290 nan 0.000 0.460 304 L N 3.174 124.396 121.223 -0.002 0.000 2.292 304 L HA 0.691 5.031 4.340 -0.000 0.000 0.284 304 L C 0.568 177.436 176.870 -0.004 0.000 1.065 304 L CA -0.105 54.734 54.840 -0.002 0.000 0.806 304 L CB 1.320 43.374 42.059 -0.008 0.000 1.175 304 L HN 0.627 nan 8.230 nan 0.000 0.431 305 S N 2.898 118.595 115.700 -0.006 0.000 2.811 305 S HA 1.031 5.501 4.470 -0.000 0.000 0.311 305 S C 0.054 174.661 174.600 0.012 0.000 1.152 305 S CA -0.211 57.983 58.200 -0.010 0.000 0.864 305 S CB 1.139 64.304 63.200 -0.058 0.000 1.226 305 S HN 1.774 nan 8.310 nan 0.000 0.541 306 G N 1.218 110.031 108.800 0.023 0.000 2.615 306 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.218 306 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.218 306 G C 0.373 175.276 174.900 0.005 0.000 1.339 306 G CA 0.270 45.395 45.100 0.041 0.000 0.884 306 G HN 0.978 nan 8.290 nan 0.000 0.559 307 K N 0.851 121.236 120.400 -0.026 0.000 2.089 307 K HA -0.123 4.197 4.320 -0.000 0.000 0.210 307 K C -0.133 176.448 176.600 -0.033 0.000 1.048 307 K CA 2.363 58.626 56.287 -0.039 0.000 0.926 307 K CB -0.868 31.585 32.500 -0.078 0.000 0.714 307 K HN 0.324 nan 8.250 nan 0.000 0.448 308 P HA -0.129 nan 4.420 nan 0.000 0.225 308 P C 0.849 178.140 177.300 -0.016 0.000 1.148 308 P CA 0.806 63.888 63.100 -0.029 0.000 0.779 308 P CB 0.125 31.806 31.700 -0.033 0.000 0.780 309 L N -1.495 119.723 121.223 -0.009 0.000 2.554 309 L HA 0.243 4.583 4.340 -0.000 0.000 0.225 309 L C 2.252 179.124 176.870 0.004 0.000 1.104 309 L CA 0.706 55.545 54.840 -0.000 0.000 0.866 309 L CB -0.573 41.490 42.059 0.006 0.000 1.047 309 L HN -0.283 nan 8.230 nan 0.000 0.468 310 R N 0.019 120.520 120.500 0.000 0.000 2.122 310 R HA -0.206 4.134 4.340 -0.000 0.000 0.236 310 R C 1.471 177.772 176.300 0.002 0.000 1.129 310 R CA 2.462 58.563 56.100 0.003 0.000 0.925 310 R CB -0.293 30.006 30.300 -0.003 0.000 0.850 310 R HN 0.403 nan 8.270 nan 0.000 0.431 311 D N 0.356 120.754 120.400 -0.003 0.000 2.183 311 D HA -0.128 4.512 4.640 -0.000 0.000 0.203 311 D C 1.888 178.189 176.300 0.001 0.000 0.969 311 D CA 0.598 54.596 54.000 -0.003 0.000 0.842 311 D CB -0.224 40.572 40.800 -0.006 0.000 0.957 311 D HN 0.194 nan 8.370 nan 0.000 0.484 312 L N 0.878 122.102 121.223 0.002 0.000 2.017 312 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 312 L C 2.265 179.142 176.870 0.012 0.000 1.073 312 L CA 1.682 56.526 54.840 0.006 0.000 0.745 312 L CB -0.922 41.140 42.059 0.004 0.000 0.894 312 L HN -0.106 nan 8.230 nan 0.000 0.432 313 S N -1.506 114.201 115.700 0.013 0.000 2.359 313 S HA -0.215 4.255 4.470 -0.000 0.000 0.224 313 S C 1.924 176.536 174.600 0.019 0.000 1.035 313 S CA 1.970 60.181 58.200 0.018 0.000 1.018 313 S CB -0.565 62.647 63.200 0.020 0.000 0.876 313 S HN 0.690 nan 8.310 nan 0.000 0.448 314 T N 1.401 115.963 114.554 0.012 0.000 2.746 314 T HA -0.112 4.238 4.350 -0.000 0.000 0.267 314 T C 1.929 176.639 174.700 0.016 0.000 1.039 314 T CA 1.661 63.766 62.100 0.009 0.000 1.142 314 T CB -0.484 68.383 68.868 -0.001 0.000 0.866 314 T HN 0.385 nan 8.240 nan 0.000 0.444 315 Q N 1.017 120.826 119.800 0.015 0.000 2.124 315 Q HA -0.079 4.261 4.340 -0.000 0.000 0.202 315 Q C 2.231 178.253 176.000 0.037 0.000 0.977 315 Q CA 1.750 57.566 55.803 0.022 0.000 0.850 315 Q CB -0.899 27.848 28.738 0.015 0.000 0.901 315 Q HN 0.489 nan 8.270 nan 0.000 0.429 316 T N 0.315 114.889 114.554 0.033 0.000 2.867 316 T HA -0.017 4.333 4.350 -0.000 0.000 0.268 316 T C 1.727 176.459 174.700 0.053 0.000 1.057 316 T CA 1.161 63.285 62.100 0.039 0.000 1.136 316 T CB -0.125 68.762 68.868 0.031 0.000 0.874 316 T HN 0.254 nan 8.240 nan 0.000 0.466 317 I N 0.717 121.318 120.570 0.051 0.000 2.252 317 I HA -0.131 4.039 4.170 -0.000 0.000 0.245 317 I C 2.810 178.995 176.117 0.113 0.000 1.102 317 I CA 1.124 62.462 61.300 0.063 0.000 1.385 317 I CB -0.289 37.731 38.000 0.033 0.000 1.064 317 I HN 0.118 nan 8.210 nan 0.000 0.414 318 R N 0.783 121.355 120.500 0.121 0.000 2.083 318 R HA -0.201 4.139 4.340 -0.000 0.000 0.237 318 R C 2.164 178.612 176.300 0.247 0.000 1.137 318 R CA 1.655 57.892 56.100 0.228 0.000 0.951 318 R CB -0.439 29.936 30.300 0.124 0.000 0.851 318 R HN 0.475 nan 8.270 nan 0.000 0.434 319 E N 0.004 120.290 120.200 0.143 0.000 2.051 319 E HA -0.145 4.205 4.350 -0.000 0.000 0.192 319 E C 2.068 178.721 176.600 0.088 0.000 0.991 319 E CA 1.086 57.552 56.400 0.110 0.000 0.799 319 E CB 0.021 29.762 29.700 0.068 0.000 0.748 319 E HN 0.165 nan 8.360 nan 0.000 0.449 320 M N -0.355 119.292 119.600 0.079 0.000 2.229 320 M HA -0.136 4.344 4.480 -0.000 0.000 0.264 320 M C 2.120 178.442 176.300 0.037 0.000 1.063 320 M CA 1.334 56.662 55.300 0.047 0.000 1.114 320 M CB -0.894 31.732 32.600 0.043 0.000 1.387 320 M HN 0.184 nan 8.290 nan 0.000 0.420 321 Y N 1.124 121.376 120.300 -0.079 0.000 2.163 321 Y HA -0.141 4.409 4.550 -0.000 0.000 0.288 321 Y C 2.408 178.173 175.900 -0.224 0.000 1.136 321 Y CA 2.054 60.044 58.100 -0.183 0.000 1.147 321 Y CB -0.290 37.994 38.460 -0.292 0.000 0.987 321 Y HN 0.191 nan 8.280 nan 0.000 0.509 322 A N 0.379 123.187 122.820 -0.020 0.000 1.858 322 A HA -0.172 4.148 4.320 -0.000 0.000 0.216 322 A C 2.256 179.797 177.584 -0.072 0.000 1.190 322 A CA 1.848 53.865 52.037 -0.034 0.000 0.617 322 A CB -1.259 17.820 19.000 0.133 0.000 0.827 322 A HN 0.540 nan 8.150 nan 0.000 0.443 323 L N 0.038 121.241 121.223 -0.033 0.000 2.189 323 L HA -0.163 4.177 4.340 -0.000 0.000 0.214 323 L C 2.412 179.234 176.870 -0.080 0.000 1.097 323 L CA 1.739 56.555 54.840 -0.039 0.000 0.764 323 L CB -0.646 41.404 42.059 -0.016 0.000 0.900 323 L HN 0.685 nan 8.230 nan 0.000 0.436 324 T N -4.901 109.573 114.554 -0.133 0.000 3.069 324 T HA 0.129 4.479 4.350 -0.000 0.000 0.252 324 T C 0.725 175.281 174.700 -0.239 0.000 1.053 324 T CA -0.299 61.704 62.100 -0.162 0.000 0.964 324 T CB 0.308 69.081 68.868 -0.157 0.000 1.005 324 T HN 0.336 nan 8.240 nan 0.000 0.532 325 Q N 0.446 120.078 119.800 -0.280 0.000 2.481 325 Q HA -0.191 4.149 4.340 -0.000 0.000 0.272 325 Q C 1.179 176.882 176.000 -0.496 0.000 1.157 325 Q CA 0.564 56.182 55.803 -0.308 0.000 0.935 325 Q CB -2.231 26.403 28.738 -0.173 0.000 1.338 325 Q HN 0.985 nan 8.270 nan 0.000 0.494 326 G N -0.461 107.762 108.800 -0.961 0.000 2.166 326 G HA2 -0.406 3.554 3.960 -0.000 0.000 0.260 326 G HA3 -0.406 3.554 3.960 -0.000 0.000 0.260 326 G C 0.599 175.197 174.900 -0.503 0.000 0.986 326 G CA 0.841 45.164 45.100 -1.295 0.000 0.683 326 G HN 0.474 nan 8.290 nan 0.000 0.527 327 R N -0.611 119.684 120.500 -0.340 0.000 2.310 327 R HA 0.413 4.753 4.340 -0.000 0.000 0.202 327 R C 0.795 177.013 176.300 -0.138 0.000 0.933 327 R CA 0.431 56.421 56.100 -0.184 0.000 1.054 327 R CB 0.333 30.549 30.300 -0.141 0.000 0.985 327 R HN 0.492 nan 8.270 nan 0.000 0.489 328 I N 1.664 122.141 120.570 -0.154 0.000 2.439 328 I HA 0.285 4.455 4.170 -0.000 0.000 0.283 328 I C -2.401 173.677 176.117 -0.064 0.000 1.023 328 I CA -2.766 58.477 61.300 -0.095 0.000 1.100 328 I CB 2.071 40.019 38.000 -0.085 0.000 1.238 328 I HN -0.300 nan 8.210 nan 0.000 0.445 329 P HA 0.078 nan 4.420 nan 0.000 0.260 329 P C -0.735 176.531 177.300 -0.056 0.000 1.172 329 P CA 0.622 63.688 63.100 -0.056 0.000 0.760 329 P CB 0.385 32.030 31.700 -0.092 0.000 0.773 330 I N 4.230 124.782 120.570 -0.030 0.000 2.433 330 I HA 0.352 4.522 4.170 -0.000 0.000 0.292 330 I C 0.202 176.282 176.117 -0.061 0.000 1.001 330 I CA -0.736 60.549 61.300 -0.025 0.000 1.119 330 I CB 1.587 39.610 38.000 0.039 0.000 1.289 330 I HN 0.126 nan 8.210 nan 0.000 0.438 331 I N 5.349 125.883 120.570 -0.060 0.000 2.307 331 I HA 0.298 4.468 4.170 -0.000 0.000 0.289 331 I C 0.728 176.854 176.117 0.015 0.000 1.021 331 I CA -0.307 60.970 61.300 -0.038 0.000 1.224 331 I CB 1.209 39.193 38.000 -0.026 0.000 1.376 331 I HN 0.619 nan 8.210 nan 0.000 0.470 332 G N 5.394 114.205 108.800 0.019 0.000 2.390 332 G HA2 0.468 4.428 3.960 -0.000 0.000 0.270 332 G HA3 0.468 4.428 3.960 -0.000 0.000 0.270 332 G C -0.922 174.006 174.900 0.047 0.000 1.211 332 G CA -0.229 44.887 45.100 0.027 0.000 0.842 332 G HN 0.415 nan 8.290 nan 0.000 0.519 333 V N 1.499 121.441 119.914 0.047 0.000 2.891 333 V HA 0.910 5.030 4.120 -0.000 0.000 0.304 333 V C -0.221 175.902 176.094 0.049 0.000 1.171 333 V CA 0.548 62.881 62.300 0.056 0.000 0.943 333 V CB 1.757 33.622 31.823 0.070 0.000 1.037 333 V HN 2.096 nan 8.190 nan 0.000 0.427 334 G N 3.560 112.390 108.800 0.049 0.000 2.693 334 G HA2 0.524 4.484 3.960 -0.000 0.000 0.290 334 G HA3 0.524 4.484 3.960 -0.000 0.000 0.290 334 G C 0.599 175.519 174.900 0.033 0.000 1.378 334 G CA 0.218 45.342 45.100 0.040 0.000 1.120 334 G HN 2.366 nan 8.290 nan 0.000 0.609 335 G N -0.393 108.428 108.800 0.036 0.000 2.225 335 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.267 335 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.267 335 G C 0.596 175.514 174.900 0.030 0.000 1.024 335 G CA 0.640 45.758 45.100 0.029 0.000 0.784 335 G HN 1.776 nan 8.290 nan 0.000 0.507 336 V N 0.724 120.664 119.914 0.042 0.000 2.405 336 V HA 0.428 4.548 4.120 -0.000 0.000 0.264 336 V C 1.107 177.227 176.094 0.043 0.000 1.048 336 V CA 1.030 63.352 62.300 0.037 0.000 0.966 336 V CB 1.404 33.253 31.823 0.043 0.000 1.015 336 V HN 0.327 nan 8.190 nan 0.000 0.477 337 S N 2.327 118.044 115.700 0.029 0.000 2.666 337 S HA 0.212 4.682 4.470 -0.000 0.000 0.239 337 S C 0.435 175.041 174.600 0.010 0.000 1.031 337 S CA 0.142 58.359 58.200 0.029 0.000 1.015 337 S CB 0.547 63.764 63.200 0.028 0.000 0.981 337 S HN 0.876 nan 8.310 nan 0.000 0.547 338 S N -0.808 114.894 115.700 0.003 0.000 2.625 338 S HA 0.656 5.126 4.470 -0.000 0.000 0.271 338 S C 1.002 175.597 174.600 -0.009 0.000 1.161 338 S CA -0.219 57.977 58.200 -0.008 0.000 0.820 338 S CB 0.889 64.086 63.200 -0.005 0.000 1.137 338 S HN 0.072 nan 8.310 nan 0.000 0.470 339 G N 0.383 109.173 108.800 -0.016 0.000 2.432 339 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.219 339 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.219 339 G C 1.175 176.075 174.900 0.001 0.000 1.135 339 G CA 1.340 46.434 45.100 -0.011 0.000 0.767 339 G HN 0.792 nan 8.290 nan 0.000 0.550 340 Q N 0.891 120.692 119.800 0.002 0.000 2.050 340 Q HA -0.114 4.226 4.340 -0.000 0.000 0.202 340 Q C 2.019 178.020 176.000 0.002 0.000 0.980 340 Q CA 2.037 57.843 55.803 0.006 0.000 0.840 340 Q CB -0.296 28.446 28.738 0.005 0.000 0.898 340 Q HN 0.387 nan 8.270 nan 0.000 0.424 341 D N -0.010 120.391 120.400 0.001 0.000 2.117 341 D HA -0.154 4.486 4.640 -0.000 0.000 0.197 341 D C 1.715 178.015 176.300 0.000 0.000 0.987 341 D CA 1.533 55.534 54.000 0.001 0.000 0.829 341 D CB -0.479 40.325 40.800 0.006 0.000 0.961 341 D HN 0.442 nan 8.370 nan 0.000 0.460 342 A N 0.851 123.673 122.820 0.003 0.000 1.902 342 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 342 A C 2.164 179.738 177.584 -0.016 0.000 1.181 342 A CA 0.980 53.018 52.037 0.003 0.000 0.623 342 A CB -0.699 18.308 19.000 0.011 0.000 0.818 342 A HN 0.220 nan 8.150 nan 0.000 0.443 343 L N 0.080 121.292 121.223 -0.018 0.000 2.093 343 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 343 L C 2.123 178.965 176.870 -0.047 0.000 1.085 343 L CA 2.156 56.973 54.840 -0.039 0.000 0.755 343 L CB -0.632 41.421 42.059 -0.010 0.000 0.904 343 L HN 0.516 nan 8.230 nan 0.000 0.435 344 E N -0.739 119.445 120.200 -0.026 0.000 2.110 344 E HA -0.236 4.114 4.350 -0.000 0.000 0.193 344 E C 2.107 178.681 176.600 -0.044 0.000 0.988 344 E CA 1.227 57.609 56.400 -0.029 0.000 0.804 344 E CB -0.012 29.678 29.700 -0.016 0.000 0.745 344 E HN 0.488 nan 8.360 nan 0.000 0.458 345 K N 0.313 120.691 120.400 -0.037 0.000 2.103 345 K HA -0.057 4.263 4.320 -0.000 0.000 0.204 345 K C 2.129 178.686 176.600 -0.072 0.000 1.052 345 K CA 0.754 57.018 56.287 -0.039 0.000 0.945 345 K CB 0.009 32.499 32.500 -0.016 0.000 0.722 345 K HN 0.099 nan 8.250 nan 0.000 0.443 346 I N 1.333 121.851 120.570 -0.087 0.000 2.179 346 I HA -0.301 3.869 4.170 -0.000 0.000 0.242 346 I C 2.375 178.387 176.117 -0.176 0.000 1.088 346 I CA 1.383 62.605 61.300 -0.130 0.000 1.357 346 I CB -0.180 37.736 38.000 -0.140 0.000 1.051 346 I HN 0.213 nan 8.210 nan 0.000 0.409 347 Q N 0.333 120.035 119.800 -0.163 0.000 2.226 347 Q HA -0.148 4.192 4.340 -0.000 0.000 0.204 347 Q C 2.260 178.171 176.000 -0.148 0.000 0.975 347 Q CA 1.481 57.189 55.803 -0.159 0.000 0.866 347 Q CB -0.172 28.508 28.738 -0.098 0.000 0.915 347 Q HN 0.575 nan 8.270 nan 0.000 0.440 348 A N -0.502 122.242 122.820 -0.127 0.000 2.167 348 A HA 0.190 4.510 4.320 -0.000 0.000 0.214 348 A C 1.499 178.993 177.584 -0.150 0.000 1.151 348 A CA 1.197 53.179 52.037 -0.092 0.000 0.735 348 A CB 0.122 19.096 19.000 -0.043 0.000 0.802 348 A HN 0.469 nan 8.150 nan 0.000 0.467 349 G N -2.839 105.764 108.800 -0.329 0.000 2.902 349 G HA2 0.289 4.249 3.960 -0.000 0.000 0.215 349 G HA3 0.289 4.249 3.960 -0.000 0.000 0.215 349 G C 0.283 175.050 174.900 -0.222 0.000 0.976 349 G CA 0.012 44.723 45.100 -0.648 0.000 0.794 349 G HN 1.218 nan 8.290 nan 0.000 0.557 350 A N 0.736 123.477 122.820 -0.131 0.000 2.401 350 A HA 0.740 5.060 4.320 -0.000 0.000 0.259 350 A C 1.342 178.871 177.584 -0.093 0.000 1.103 350 A CA 0.999 52.992 52.037 -0.073 0.000 0.789 350 A CB 0.823 19.793 19.000 -0.049 0.000 1.035 350 A HN 0.629 nan 8.150 nan 0.000 0.491 351 S N 1.110 116.752 115.700 -0.097 0.000 2.458 351 S HA 0.255 4.725 4.470 -0.000 0.000 0.223 351 S C 0.424 174.916 174.600 -0.180 0.000 1.019 351 S CA 0.567 58.688 58.200 -0.133 0.000 0.937 351 S CB -0.326 62.781 63.200 -0.154 0.000 0.788 351 S HN 0.593 nan 8.310 nan 0.000 0.511 352 L N 0.447 121.567 121.223 -0.171 0.000 2.409 352 L HA 0.686 5.026 4.340 -0.000 0.000 0.255 352 L C -1.000 175.892 176.870 0.038 0.000 1.027 352 L CA -1.074 53.689 54.840 -0.128 0.000 0.834 352 L CB 2.140 43.959 42.059 -0.400 0.000 1.426 352 L HN -0.039 nan 8.230 nan 0.000 0.411 353 V N -1.409 118.613 119.914 0.180 0.000 3.102 353 V HA 0.719 4.839 4.120 -0.000 0.000 0.312 353 V C -1.185 175.021 176.094 0.186 0.000 1.135 353 V CA -0.523 61.868 62.300 0.152 0.000 1.022 353 V CB 2.089 33.964 31.823 0.086 0.000 1.056 353 V HN 0.874 nan 8.190 nan 0.000 0.436 354 Q N 1.041 120.895 119.800 0.090 0.000 2.456 354 Q HA 0.840 5.180 4.340 -0.000 0.000 0.283 354 Q C -1.721 174.299 176.000 0.032 0.000 1.084 354 Q CA -0.843 54.956 55.803 -0.006 0.000 0.801 354 Q CB 2.813 31.540 28.738 -0.019 0.000 1.434 354 Q HN 0.938 nan 8.270 nan 0.000 0.419 355 L N -2.164 119.071 121.223 0.021 0.000 2.469 355 L HA 0.585 4.924 4.340 -0.000 0.000 0.256 355 L C -1.170 175.762 176.870 0.103 0.000 1.006 355 L CA -0.388 54.505 54.840 0.088 0.000 0.832 355 L CB 1.216 43.343 42.059 0.115 0.000 1.421 355 L HN 0.879 nan 8.230 nan 0.000 0.410 356 Y N -0.200 120.091 120.300 -0.015 0.000 3.324 356 Y HA 0.014 4.564 4.550 -0.000 0.000 0.187 356 Y C 1.589 177.487 175.900 -0.004 0.000 0.920 356 Y CA 0.498 58.575 58.100 -0.038 0.000 1.710 356 Y CB 0.757 39.210 38.460 -0.012 0.000 1.461 356 Y HN 0.649 nan 8.280 nan 0.000 0.360 357 T N 1.886 116.550 114.554 0.183 0.000 2.778 357 T HA -0.232 4.118 4.350 -0.000 0.000 0.269 357 T C 1.746 176.560 174.700 0.190 0.000 1.050 357 T CA 1.486 63.638 62.100 0.086 0.000 1.137 357 T CB -0.583 68.325 68.868 0.067 0.000 0.860 357 T HN 0.510 nan 8.240 nan 0.000 0.468 358 A N 1.160 124.088 122.820 0.181 0.000 1.972 358 A HA -0.014 4.306 4.320 -0.000 0.000 0.219 358 A C 2.198 179.861 177.584 0.132 0.000 1.169 358 A CA 1.122 53.264 52.037 0.175 0.000 0.635 358 A CB -0.757 18.311 19.000 0.114 0.000 0.810 358 A HN 0.410 nan 8.150 nan 0.000 0.446 359 L N -0.053 121.232 121.223 0.103 0.000 2.127 359 L HA -0.134 4.206 4.340 -0.000 0.000 0.211 359 L C 2.152 179.028 176.870 0.009 0.000 1.089 359 L CA 1.654 56.519 54.840 0.042 0.000 0.757 359 L CB -0.386 41.671 42.059 -0.004 0.000 0.899 359 L HN 0.462 nan 8.230 nan 0.000 0.434 360 I N -1.973 118.584 120.570 -0.020 0.000 2.353 360 I HA -0.267 3.903 4.170 -0.000 0.000 0.248 360 I C 1.637 177.540 176.117 -0.356 0.000 1.119 360 I CA 1.288 62.456 61.300 -0.220 0.000 1.417 360 I CB -0.208 37.542 38.000 -0.418 0.000 1.078 360 I HN 0.138 nan 8.210 nan 0.000 0.421 361 F N -0.464 119.504 119.950 0.031 0.000 2.714 361 F HA 0.180 4.707 4.527 -0.000 0.000 0.294 361 F C 1.763 177.572 175.800 0.015 0.000 1.120 361 F CA 0.408 58.420 58.000 0.020 0.000 1.398 361 F CB 0.222 39.229 39.000 0.012 0.000 1.120 361 F HN -0.122 nan 8.300 nan 0.000 0.589 362 L N -1.086 120.227 121.223 0.150 0.000 2.781 362 L HA 0.468 4.808 4.340 -0.000 0.000 0.245 362 L C 0.973 177.866 176.870 0.039 0.000 1.118 362 L CA 0.226 55.119 54.840 0.087 0.000 0.918 362 L CB -0.185 41.916 42.059 0.071 0.000 1.246 362 L HN 0.157 nan 8.230 nan 0.000 0.526 363 G N 1.136 109.951 108.800 0.024 0.000 2.829 363 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.628 363 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.628 363 G C -2.272 172.617 174.900 -0.019 0.000 1.412 363 G CA -0.502 44.600 45.100 0.003 0.000 0.864 363 G HN -0.009 nan 8.290 nan 0.000 0.544 364 P HA -0.019 nan 4.420 nan 0.000 0.218 364 P C -1.183 176.060 177.300 -0.095 0.000 1.146 364 P CA 1.994 65.055 63.100 -0.066 0.000 0.813 364 P CB -0.326 31.350 31.700 -0.039 0.000 0.778 365 P HA -0.092 nan 4.420 nan 0.000 0.225 365 P C 1.603 178.841 177.300 -0.102 0.000 1.148 365 P CA 0.710 63.766 63.100 -0.073 0.000 0.779 365 P CB -0.318 31.360 31.700 -0.037 0.000 0.780 366 V N -0.484 119.376 119.914 -0.090 0.000 2.594 366 V HA -0.193 3.927 4.120 -0.000 0.000 0.253 366 V C 2.037 178.036 176.094 -0.159 0.000 1.069 366 V CA 1.666 63.913 62.300 -0.089 0.000 1.082 366 V CB -0.684 31.119 31.823 -0.035 0.000 0.680 366 V HN -0.066 nan 8.190 nan 0.000 0.469 367 V N -0.446 119.313 119.914 -0.258 0.000 2.261 367 V HA -0.206 3.914 4.120 -0.000 0.000 0.246 367 V C 2.439 178.314 176.094 -0.365 0.000 1.047 367 V CA 2.220 64.269 62.300 -0.418 0.000 1.015 367 V CB -0.653 30.695 31.823 -0.791 0.000 0.642 367 V HN 0.421 nan 8.190 nan 0.000 0.446 368 V N -0.012 119.694 119.914 -0.347 0.000 2.427 368 V HA -0.233 3.887 4.120 -0.000 0.000 0.248 368 V C 2.591 178.416 176.094 -0.449 0.000 1.051 368 V CA 2.252 64.282 62.300 -0.451 0.000 1.048 368 V CB -0.815 30.821 31.823 -0.313 0.000 0.666 368 V HN 0.487 nan 8.190 nan 0.000 0.456 369 R N -0.102 120.238 120.500 -0.266 0.000 2.091 369 R HA -0.150 4.190 4.340 -0.000 0.000 0.238 369 R C 2.192 178.388 176.300 -0.174 0.000 1.136 369 R CA 1.753 57.741 56.100 -0.187 0.000 0.959 369 R CB -0.295 29.939 30.300 -0.110 0.000 0.856 369 R HN 0.395 nan 8.270 nan 0.000 0.437 370 V N 1.333 121.148 119.914 -0.166 0.000 2.358 370 V HA -0.225 3.895 4.120 -0.000 0.000 0.246 370 V C 2.193 178.207 176.094 -0.133 0.000 1.047 370 V CA 1.882 64.114 62.300 -0.113 0.000 1.035 370 V CB -0.364 31.412 31.823 -0.078 0.000 0.658 370 V HN 0.375 nan 8.190 nan 0.000 0.452 371 K N -0.207 120.054 120.400 -0.233 0.000 2.057 371 K HA -0.187 4.133 4.320 -0.000 0.000 0.207 371 K C 2.392 178.863 176.600 -0.215 0.000 1.049 371 K CA 1.442 57.591 56.287 -0.230 0.000 0.931 371 K CB -0.246 32.029 32.500 -0.375 0.000 0.714 371 K HN 0.297 nan 8.250 nan 0.000 0.440 372 R N 1.694 121.955 120.500 -0.398 0.000 2.073 372 R HA -0.159 4.181 4.340 -0.000 0.000 0.234 372 R C 1.859 178.156 176.300 -0.005 0.000 1.134 372 R CA 1.693 57.709 56.100 -0.140 0.000 0.952 372 R CB 0.044 30.247 30.300 -0.161 0.000 0.850 372 R HN 0.244 nan 8.270 nan 0.000 0.433 373 E N 0.410 120.583 120.200 -0.044 0.000 2.072 373 E HA -0.208 4.142 4.350 -0.000 0.000 0.191 373 E C 1.981 178.591 176.600 0.017 0.000 0.985 373 E CA 1.098 57.494 56.400 -0.005 0.000 0.801 373 E CB -0.184 29.505 29.700 -0.019 0.000 0.750 373 E HN 0.195 nan 8.360 nan 0.000 0.452 374 L N 1.816 123.044 121.223 0.007 0.000 2.042 374 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 374 L C 2.238 179.144 176.870 0.061 0.000 1.076 374 L CA 2.008 56.864 54.840 0.028 0.000 0.749 374 L CB -0.408 41.662 42.059 0.018 0.000 0.893 374 L HN 0.093 nan 8.230 nan 0.000 0.432 375 E N -0.654 119.597 120.200 0.085 0.000 2.077 375 E HA -0.221 4.129 4.350 -0.000 0.000 0.193 375 E C 2.036 178.697 176.600 0.101 0.000 0.989 375 E CA 1.204 57.675 56.400 0.118 0.000 0.800 375 E CB -0.192 29.621 29.700 0.189 0.000 0.746 375 E HN 0.628 nan 8.360 nan 0.000 0.452 376 A N 0.680 123.551 122.820 0.086 0.000 1.968 376 A HA -0.043 4.277 4.320 -0.000 0.000 0.217 376 A C 2.144 179.769 177.584 0.069 0.000 1.169 376 A CA 0.670 52.750 52.037 0.072 0.000 0.638 376 A CB -0.400 18.635 19.000 0.059 0.000 0.812 376 A HN 0.296 nan 8.150 nan 0.000 0.446 377 L N -0.681 120.585 121.223 0.071 0.000 2.109 377 L HA -0.117 4.223 4.340 -0.000 0.000 0.207 377 L C 2.473 179.423 176.870 0.132 0.000 1.086 377 L CA 0.688 55.577 54.840 0.082 0.000 0.760 377 L CB -0.470 41.630 42.059 0.068 0.000 0.910 377 L HN 0.367 nan 8.230 nan 0.000 0.437 378 L N -0.246 121.067 121.223 0.150 0.000 1.994 378 L HA -0.237 4.103 4.340 -0.000 0.000 0.208 378 L C 2.661 179.654 176.870 0.206 0.000 1.071 378 L CA 1.536 56.524 54.840 0.246 0.000 0.745 378 L CB -0.465 41.700 42.059 0.176 0.000 0.892 378 L HN 0.182 nan 8.230 nan 0.000 0.431 379 K N -0.086 120.388 120.400 0.123 0.000 2.009 379 K HA -0.267 4.053 4.320 -0.000 0.000 0.210 379 K C 2.037 178.661 176.600 0.039 0.000 1.049 379 K CA 1.836 58.168 56.287 0.074 0.000 0.929 379 K CB -0.305 32.230 32.500 0.059 0.000 0.714 379 K HN 0.311 nan 8.250 nan 0.000 0.440 380 E N 1.336 121.562 120.200 0.044 0.000 2.160 380 E HA -0.214 4.136 4.350 -0.000 0.000 0.195 380 E C 1.389 177.984 176.600 -0.008 0.000 0.991 380 E CA 1.150 57.562 56.400 0.020 0.000 0.810 380 E CB 0.142 29.860 29.700 0.031 0.000 0.742 380 E HN 0.234 nan 8.360 nan 0.000 0.466 381 R N -1.144 119.356 120.500 0.000 0.000 2.359 381 R HA 0.140 4.480 4.340 -0.000 0.000 0.231 381 R C 1.010 177.096 176.300 -0.356 0.000 0.913 381 R CA 0.457 56.495 56.100 -0.103 0.000 1.075 381 R CB 0.755 31.075 30.300 0.033 0.000 1.087 381 R HN 0.326 nan 8.270 nan 0.000 0.515 382 G N 0.786 109.441 108.800 -0.242 0.000 2.176 382 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.253 382 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.253 382 G C -0.017 174.694 174.900 -0.314 0.000 0.979 382 G CA -0.413 44.511 45.100 -0.292 0.000 0.641 382 G HN 0.257 nan 8.290 nan 0.000 0.530 383 F N 1.732 121.689 119.950 0.011 0.000 2.424 383 F HA 0.438 4.965 4.527 -0.000 0.000 0.356 383 F C 1.963 177.773 175.800 0.017 0.000 1.110 383 F CA 0.219 58.227 58.000 0.013 0.000 1.161 383 F CB 1.503 40.511 39.000 0.013 0.000 1.115 383 F HN 0.095 nan 8.300 nan 0.000 0.507 384 T N -2.063 112.599 114.554 0.179 0.000 3.023 384 T HA 0.030 4.380 4.350 -0.000 0.000 0.266 384 T C 0.641 175.408 174.700 0.112 0.000 1.093 384 T CA 0.930 63.098 62.100 0.112 0.000 1.129 384 T CB -0.319 68.593 68.868 0.073 0.000 0.899 384 T HN 0.637 nan 8.240 nan 0.000 0.491 385 T N -2.250 112.383 114.554 0.132 0.000 2.868 385 T HA 0.556 4.906 4.350 -0.000 0.000 0.306 385 T C 0.915 175.649 174.700 0.057 0.000 1.224 385 T CA -0.425 61.727 62.100 0.087 0.000 1.012 385 T CB 1.744 70.650 68.868 0.064 0.000 1.221 385 T HN -0.189 nan 8.240 nan 0.000 0.499 386 V N 1.310 121.236 119.914 0.020 0.000 2.332 386 V HA -0.180 3.940 4.120 -0.000 0.000 0.248 386 V C 2.942 178.981 176.094 -0.091 0.000 1.055 386 V CA 2.643 64.915 62.300 -0.048 0.000 1.038 386 V CB -1.445 30.367 31.823 -0.018 0.000 0.651 386 V HN 1.111 nan 8.190 nan 0.000 0.450 387 T N -0.214 114.319 114.554 -0.035 0.000 2.737 387 T HA -0.233 4.117 4.350 -0.000 0.000 0.269 387 T C 1.570 176.248 174.700 -0.038 0.000 1.040 387 T CA 1.799 63.880 62.100 -0.032 0.000 1.142 387 T CB -0.420 68.451 68.868 0.004 0.000 0.861 387 T HN 0.522 nan 8.240 nan 0.000 0.456 388 D N 0.917 121.313 120.400 -0.006 0.000 2.264 388 D HA 0.071 4.711 4.640 -0.000 0.000 0.208 388 D C 2.100 178.359 176.300 -0.069 0.000 0.966 388 D CA 0.783 54.822 54.000 0.064 0.000 0.864 388 D CB -0.160 40.780 40.800 0.233 0.000 0.933 388 D HN 0.464 nan 8.370 nan 0.000 0.499 389 A N 0.477 123.014 122.820 -0.472 0.000 2.081 389 A HA 0.085 4.405 4.320 -0.000 0.000 0.214 389 A C 1.263 178.594 177.584 -0.423 0.000 1.158 389 A CA -0.233 51.221 52.037 -0.973 0.000 0.724 389 A CB -0.215 17.932 19.000 -1.422 0.000 0.826 389 A HN 0.124 nan 8.150 nan 0.000 0.463 390 I N 0.990 121.411 120.570 -0.249 0.000 2.872 390 I HA 0.098 4.268 4.170 -0.000 0.000 0.287 390 I C 1.546 177.575 176.117 -0.147 0.000 1.197 390 I CA 1.315 62.513 61.300 -0.170 0.000 1.390 390 I CB -0.322 37.624 38.000 -0.089 0.000 1.400 390 I HN 0.480 nan 8.210 nan 0.000 0.544 391 G N 4.528 113.167 108.800 -0.267 0.000 2.148 391 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.254 391 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.254 391 G C 1.155 176.035 174.900 -0.033 0.000 0.981 391 G CA 0.499 45.398 45.100 -0.334 0.000 0.670 391 G HN 0.884 nan 8.290 nan 0.000 0.528 392 A N 0.399 123.190 122.820 -0.048 0.000 1.958 392 A HA -0.114 4.206 4.320 -0.000 0.000 0.221 392 A C 2.003 179.610 177.584 0.037 0.000 1.178 392 A CA 2.414 54.481 52.037 0.050 0.000 0.642 392 A CB -0.388 18.672 19.000 0.100 0.000 0.816 392 A HN 0.459 nan 8.150 nan 0.000 0.453 393 D N -1.001 119.364 120.400 -0.059 0.000 2.310 393 D HA -0.097 4.543 4.640 -0.000 0.000 0.212 393 D C 1.311 177.466 176.300 -0.241 0.000 0.965 393 D CA 0.914 54.816 54.000 -0.164 0.000 0.879 393 D CB -0.409 40.222 40.800 -0.283 0.000 0.921 393 D HN 0.671 nan 8.370 nan 0.000 0.510 394 H N -0.089 118.983 119.070 0.002 0.000 2.548 394 H HA 0.186 4.742 4.556 -0.000 0.000 0.265 394 H C 0.419 175.794 175.328 0.079 0.000 0.969 394 H CA 0.185 56.276 56.048 0.071 0.000 1.155 394 H CB 0.710 30.581 29.762 0.182 0.000 1.394 394 H HN -0.041 nan 8.280 nan 0.000 0.570 395 R N 1.769 122.353 120.500 0.140 0.000 2.230 395 R HA 0.307 4.647 4.340 -0.000 0.000 0.337 395 R C -0.068 176.272 176.300 0.065 0.000 1.063 395 R CA -0.201 55.964 56.100 0.108 0.000 0.935 395 R CB 1.024 31.388 30.300 0.107 0.000 1.121 395 R HN 0.044 nan 8.270 nan 0.000 0.486 396 R N 0.000 120.533 120.500 0.055 0.000 2.786 396 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 396 R CA 0.000 56.120 56.100 0.033 0.000 0.921 396 R CB 0.000 30.311 30.300 0.019 0.000 0.687 396 R HN 0.000 nan 8.270 nan 0.000 0.535