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 3dzy_1_D DATA FIRST_RESID 108 DATA SEQUENCE AIECRVCGDK ASGFHYGVHA CEGCKGFFRR TIRLKLIYDR CDLNCRIHKK DATA SEQUENCE SRNKCQYCRF QKCLAVGMSH NAIRFGRMPQ AEKEKLLAEI SSDIDQLNPE DATA SEQUENCE SADLRALAKH LYDSYIKSFP LTKAKARAIL TGKTTDKSPF VIYDMNSLMM DATA SEQUENCE GEXXXXXXXX XXXXXXXXEV AIRIFQGCQF RSVEAVQEIT EYAKSIPGFV DATA SEQUENCE NLDLNDQVTL LKYGVHEIIY TMLASLMNKD GVLISEGQGF MTREFLKSLR DATA SEQUENCE KPFGDFMEPK FEFAVKFNAL ELDDSDLAIF IAVIILSGDR PGLLNVKPIE DATA SEQUENCE DIQDNLLQAL ELQLKLNHPE SSQLFAKLLQ KMTDLRQIVT EHVQLLQVIK DATA SEQUENCE KTETDMSLHP LLQEIYKDLY 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 108 A HA 0.000 nan 4.320 nan 0.000 0.244 108 A C 0.000 177.560 177.584 -0.040 0.000 1.274 108 A CA 0.000 52.023 52.037 -0.023 0.000 0.836 108 A CB 0.000 18.991 19.000 -0.016 0.000 0.831 109 I N 1.067 121.600 120.570 -0.062 0.000 2.886 109 I HA 0.423 4.591 4.170 -0.004 0.000 0.299 109 I C 0.814 176.903 176.117 -0.046 0.000 1.044 109 I CA 0.310 61.555 61.300 -0.090 0.000 1.310 109 I CB 0.424 38.302 38.000 -0.202 0.000 1.441 109 I HN 0.319 nan 8.210 nan 0.000 0.578 110 E N 0.608 120.790 120.200 -0.030 0.000 2.334 110 E HA 0.413 4.761 4.350 -0.004 0.000 0.256 110 E C -1.367 175.257 176.600 0.040 0.000 0.958 110 E CA -0.873 55.531 56.400 0.005 0.000 0.821 110 E CB 1.921 31.624 29.700 0.005 0.000 1.269 110 E HN 0.578 nan 8.360 nan 0.000 0.413 111 C N 1.192 120.521 119.300 0.049 0.000 2.388 111 C HA 0.266 4.724 4.460 -0.004 0.000 0.362 111 C C 1.515 176.536 174.990 0.052 0.000 1.266 111 C CA -0.446 58.611 59.018 0.066 0.000 2.028 111 C CB -0.335 27.435 27.740 0.050 0.000 2.440 111 C HN 0.637 nan 8.230 nan 0.000 0.547 112 R N 3.503 124.036 120.500 0.054 0.000 2.280 112 R HA -0.009 4.329 4.340 -0.004 0.000 0.207 112 R C 1.246 177.540 176.300 -0.009 0.000 1.043 112 R CA 0.815 56.930 56.100 0.025 0.000 1.006 112 R CB -0.411 29.896 30.300 0.012 0.000 0.885 112 R HN 0.749 nan 8.270 nan 0.000 0.467 113 V N -0.722 119.185 119.914 -0.011 0.000 2.743 113 V HA -0.095 4.023 4.120 -0.004 0.000 0.237 113 V C 2.343 178.417 176.094 -0.034 0.000 1.113 113 V CA 1.308 63.590 62.300 -0.031 0.000 1.141 113 V CB -0.185 31.623 31.823 -0.025 0.000 0.873 113 V HN 0.406 nan 8.190 nan 0.000 0.486 114 C N -0.829 118.465 119.300 -0.010 0.000 2.393 114 C HA 0.777 5.235 4.460 -0.004 0.000 0.332 114 C C 1.954 176.981 174.990 0.063 0.000 1.423 114 C CA 0.740 59.759 59.018 0.002 0.000 2.097 114 C CB 0.547 28.281 27.740 -0.011 0.000 2.274 114 C HN 0.729 nan 8.230 nan 0.000 0.570 115 G N 1.607 110.436 108.800 0.047 0.000 4.077 115 G HA2 0.003 3.961 3.960 -0.004 0.000 0.199 115 G HA3 0.003 3.961 3.960 -0.004 0.000 0.199 115 G C -0.590 174.325 174.900 0.026 0.000 1.302 115 G CA 0.202 45.332 45.100 0.051 0.000 0.918 115 G HN 0.683 nan 8.290 nan 0.000 0.369 116 D N 1.957 122.369 120.400 0.020 0.000 2.406 116 D HA 0.141 4.779 4.640 -0.004 0.000 0.234 116 D C 0.565 176.878 176.300 0.021 0.000 1.196 116 D CA 0.106 54.114 54.000 0.013 0.000 0.881 116 D CB 0.598 41.406 40.800 0.012 0.000 1.205 116 D HN 0.530 nan 8.370 nan 0.000 0.453 117 K N -0.072 120.338 120.400 0.017 0.000 2.543 117 K HA 0.107 4.425 4.320 -0.004 0.000 0.279 117 K C -0.096 176.531 176.600 0.045 0.000 1.001 117 K CA -0.203 56.098 56.287 0.022 0.000 1.088 117 K CB 0.213 32.725 32.500 0.020 0.000 0.863 117 K HN 0.566 nan 8.250 nan 0.000 0.488 118 A N 2.757 125.613 122.820 0.060 0.000 2.346 118 A HA 0.125 4.443 4.320 -0.004 0.000 0.252 118 A C 0.737 178.399 177.584 0.131 0.000 1.089 118 A CA 0.215 52.320 52.037 0.113 0.000 0.797 118 A CB 0.434 19.528 19.000 0.158 0.000 1.047 118 A HN 0.856 nan 8.150 nan 0.000 0.494 119 S N -0.466 115.359 115.700 0.209 0.000 2.554 119 S HA 0.536 5.003 4.470 -0.004 0.000 0.226 119 S C 0.690 175.469 174.600 0.298 0.000 0.980 119 S CA 0.483 58.825 58.200 0.236 0.000 0.939 119 S CB -0.615 62.721 63.200 0.227 0.000 0.832 119 S HN 2.490 nan 8.310 nan 0.000 0.486 120 G N 0.868 109.809 108.800 0.235 0.000 2.334 120 G HA2 0.197 4.155 3.960 -0.004 0.000 0.315 120 G HA3 0.197 4.155 3.960 -0.004 0.000 0.315 120 G C -1.542 173.341 174.900 -0.030 0.000 1.284 120 G CA -1.087 44.039 45.100 0.043 0.000 0.985 120 G HN 0.177 nan 8.290 nan 0.000 0.504 121 F N 3.185 122.939 119.950 -0.327 0.000 2.423 121 F HA 0.486 5.011 4.527 -0.004 0.000 0.356 121 F C 0.477 175.964 175.800 -0.522 0.000 1.170 121 F CA -0.522 57.278 58.000 -0.333 0.000 1.163 121 F CB 0.073 38.915 39.000 -0.263 0.000 1.318 121 F HN 0.320 nan 8.300 nan 0.000 0.569 122 H N 5.543 124.442 119.070 -0.286 0.000 2.541 122 H HA 0.171 4.725 4.556 -0.004 0.000 0.316 122 H C -0.606 174.541 175.328 -0.301 0.000 1.043 122 H CA -0.601 55.274 56.048 -0.287 0.000 1.232 122 H CB 0.429 30.175 29.762 -0.028 0.000 1.406 122 H HN 0.596 nan 8.280 nan 0.000 0.469 123 Y N 0.511 120.633 120.300 -0.297 0.000 2.994 123 Y HA -0.237 4.311 4.550 -0.004 0.000 0.168 123 Y C 1.487 177.080 175.900 -0.512 0.000 1.648 123 Y CA 0.689 58.596 58.100 -0.322 0.000 0.924 123 Y CB -1.841 36.452 38.460 -0.278 0.000 1.415 123 Y HN 1.137 nan 8.280 nan 0.000 0.391 124 G N -0.788 107.677 108.800 -0.557 0.000 2.379 124 G HA2 -0.051 3.907 3.960 -0.004 0.000 0.297 124 G HA3 -0.051 3.907 3.960 -0.004 0.000 0.297 124 G C -0.177 174.032 174.900 -1.152 0.000 1.004 124 G CA 0.539 45.186 45.100 -0.755 0.000 0.921 124 G HN 1.474 nan 8.290 nan 0.000 0.511 125 V N -0.693 118.198 119.914 -1.706 0.000 3.174 125 V HA 0.428 4.546 4.120 -0.004 0.000 0.280 125 V C -0.781 174.885 176.094 -0.713 0.000 1.554 125 V CA -1.331 60.364 62.300 -1.009 0.000 1.016 125 V CB 1.695 33.238 31.823 -0.466 0.000 1.197 125 V HN 0.369 nan 8.190 nan 0.000 0.453 126 H N 4.179 123.208 119.070 -0.068 0.000 2.944 126 H HA 0.709 5.263 4.556 -0.003 0.000 0.278 126 H C 0.296 175.646 175.328 0.037 0.000 1.083 126 H CA 0.809 56.905 56.048 0.080 0.000 1.479 126 H CB 1.059 30.906 29.762 0.141 0.000 1.486 126 H HN 0.902 nan 8.280 nan 0.000 0.493 127 A N 2.722 125.663 122.820 0.201 0.000 2.469 127 A HA 0.502 4.819 4.320 -0.004 0.000 0.299 127 A C 0.269 177.951 177.584 0.163 0.000 1.098 127 A CA -0.697 51.422 52.037 0.137 0.000 0.737 127 A CB 0.919 19.960 19.000 0.069 0.000 1.312 127 A HN 0.853 nan 8.150 nan 0.000 0.414 128 C N -0.171 119.174 119.300 0.074 0.000 2.396 128 C HA 0.668 5.126 4.460 -0.004 0.000 0.359 128 C C 1.521 176.497 174.990 -0.023 0.000 1.307 128 C CA -0.014 59.032 59.018 0.047 0.000 2.392 128 C CB 0.570 28.330 27.740 0.033 0.000 2.245 128 C HN 0.996 nan 8.230 nan 0.000 0.615 129 E N 0.824 121.010 120.200 -0.023 0.000 2.153 129 E HA 0.044 4.392 4.350 -0.004 0.000 0.194 129 E C 2.164 178.753 176.600 -0.018 0.000 0.988 129 E CA 2.097 58.464 56.400 -0.056 0.000 0.811 129 E CB -0.632 29.063 29.700 -0.008 0.000 0.746 129 E HN 0.967 nan 8.360 nan 0.000 0.466 130 G N -0.606 108.198 108.800 0.007 0.000 2.404 130 G HA2 -0.243 3.715 3.960 -0.004 0.000 0.214 130 G HA3 -0.243 3.715 3.960 -0.004 0.000 0.214 130 G C 1.816 176.760 174.900 0.073 0.000 1.189 130 G CA 0.868 45.985 45.100 0.028 0.000 0.789 130 G HN 0.404 nan 8.290 nan 0.000 0.533 131 C N 0.351 119.686 119.300 0.058 0.000 2.432 131 C HA 0.117 4.575 4.460 -0.004 0.000 0.280 131 C C 2.669 177.756 174.990 0.163 0.000 1.353 131 C CA 0.853 59.947 59.018 0.125 0.000 1.766 131 C CB -0.534 27.243 27.740 0.061 0.000 1.924 131 C HN 0.595 nan 8.230 nan 0.000 0.509 132 K N 1.395 121.830 120.400 0.058 0.000 1.965 132 K HA -0.117 4.201 4.320 -0.004 0.000 0.214 132 K C 2.110 178.816 176.600 0.176 0.000 1.046 132 K CA 2.059 58.375 56.287 0.049 0.000 0.944 132 K CB -0.781 31.556 32.500 -0.272 0.000 0.726 132 K HN 0.408 nan 8.250 nan 0.000 0.441 133 G N 0.159 109.038 108.800 0.132 0.000 2.535 133 G HA2 -0.225 3.733 3.960 -0.004 0.000 0.218 133 G HA3 -0.225 3.733 3.960 -0.004 0.000 0.218 133 G C 1.175 176.206 174.900 0.218 0.000 1.122 133 G CA 0.347 45.544 45.100 0.161 0.000 0.769 133 G HN 0.439 nan 8.290 nan 0.000 0.549 134 F N 0.371 120.387 119.950 0.110 0.000 2.187 134 F HA 0.219 4.744 4.527 -0.003 0.000 0.295 134 F C 2.041 177.957 175.800 0.193 0.000 1.091 134 F CA 0.275 58.351 58.000 0.126 0.000 1.308 134 F CB -0.373 38.704 39.000 0.129 0.000 1.030 134 F HN 0.134 nan 8.300 nan 0.000 0.487 135 F N 1.267 121.243 119.950 0.044 0.000 2.075 135 F HA -0.166 4.359 4.527 -0.003 0.000 0.297 135 F C 2.795 178.506 175.800 -0.148 0.000 1.113 135 F CA 2.122 60.094 58.000 -0.046 0.000 1.218 135 F CB -0.484 38.426 39.000 -0.151 0.000 0.984 135 F HN -0.137 nan 8.300 nan 0.000 0.472 136 R N 0.225 120.724 120.500 -0.002 0.000 2.120 136 R HA -0.169 4.168 4.340 -0.004 0.000 0.234 136 R C 2.490 178.725 176.300 -0.110 0.000 1.123 136 R CA 1.330 57.405 56.100 -0.041 0.000 0.975 136 R CB -0.301 30.120 30.300 0.202 0.000 0.866 136 R HN 0.289 nan 8.270 nan 0.000 0.446 137 R N -0.708 119.727 120.500 -0.107 0.000 2.115 137 R HA -0.041 4.296 4.340 -0.004 0.000 0.226 137 R C 1.610 177.746 176.300 -0.274 0.000 1.100 137 R CA 1.571 57.594 56.100 -0.128 0.000 0.980 137 R CB 0.007 30.280 30.300 -0.044 0.000 0.875 137 R HN 0.137 nan 8.270 nan 0.000 0.445 138 T N 1.019 115.292 114.554 -0.468 0.000 2.915 138 T HA -0.034 4.314 4.350 -0.004 0.000 0.269 138 T C 1.525 175.870 174.700 -0.591 0.000 1.071 138 T CA 0.742 62.422 62.100 -0.700 0.000 1.132 138 T CB 0.086 68.187 68.868 -1.277 0.000 0.878 138 T HN 0.095 nan 8.240 nan 0.000 0.479 139 I N 0.749 121.025 120.570 -0.490 0.000 2.512 139 I HA 0.154 4.321 4.170 -0.004 0.000 0.247 139 I C 2.336 178.278 176.117 -0.290 0.000 1.094 139 I CA 0.736 61.783 61.300 -0.422 0.000 1.427 139 I CB -1.177 36.507 38.000 -0.526 0.000 1.149 139 I HN 0.103 nan 8.210 nan 0.000 0.438 140 R N 1.336 121.710 120.500 -0.210 0.000 2.388 140 R HA -0.097 4.241 4.340 -0.004 0.000 0.233 140 R C -0.403 175.821 176.300 -0.127 0.000 1.156 140 R CA 0.848 56.877 56.100 -0.119 0.000 1.036 140 R CB -0.151 30.119 30.300 -0.050 0.000 0.847 140 R HN 0.306 nan 8.270 nan 0.000 0.483 141 L N 1.255 122.369 121.223 -0.181 0.000 2.555 141 L HA 0.268 4.606 4.340 -0.004 0.000 0.264 141 L C -0.844 175.884 176.870 -0.236 0.000 0.972 141 L CA -0.981 53.755 54.840 -0.173 0.000 0.876 141 L CB 1.724 43.693 42.059 -0.150 0.000 1.216 141 L HN -0.083 nan 8.230 nan 0.000 0.415 142 K N 4.704 124.979 120.400 -0.208 0.000 2.320 142 K HA 0.127 4.445 4.320 -0.004 0.000 0.269 142 K C -1.202 175.224 176.600 -0.290 0.000 1.182 142 K CA 0.395 56.541 56.287 -0.235 0.000 1.190 142 K CB 0.133 32.532 32.500 -0.169 0.000 0.850 142 K HN 0.607 nan 8.250 nan 0.000 0.467 143 L N 7.484 128.447 121.223 -0.433 0.000 2.349 143 L HA 0.446 4.784 4.340 -0.004 0.000 0.278 143 L C -0.066 176.359 176.870 -0.742 0.000 0.996 143 L CA -1.065 53.429 54.840 -0.577 0.000 0.825 143 L CB 1.459 43.092 42.059 -0.709 0.000 1.243 143 L HN 0.559 nan 8.230 nan 0.000 0.412 144 I N 0.211 120.450 120.570 -0.551 0.000 2.362 144 I HA 0.419 4.587 4.170 -0.004 0.000 0.289 144 I C -1.352 174.574 176.117 -0.318 0.000 0.994 144 I CA -0.744 60.317 61.300 -0.400 0.000 1.158 144 I CB 1.174 39.065 38.000 -0.182 0.000 1.315 144 I HN 0.336 nan 8.210 nan 0.000 0.451 145 Y N 3.837 124.163 120.300 0.044 0.000 2.369 145 Y HA 0.297 4.845 4.550 -0.003 0.000 0.337 145 Y C 0.115 176.080 175.900 0.109 0.000 0.961 145 Y CA -1.568 56.597 58.100 0.109 0.000 1.186 145 Y CB 0.483 39.064 38.460 0.202 0.000 1.139 145 Y HN 0.729 nan 8.280 nan 0.000 0.494 146 D N 1.477 121.955 120.400 0.129 0.000 2.571 146 D HA -0.022 4.615 4.640 -0.004 0.000 0.231 146 D C 0.479 176.623 176.300 -0.260 0.000 1.133 146 D CA -0.372 53.601 54.000 -0.044 0.000 0.862 146 D CB 0.811 41.594 40.800 -0.029 0.000 1.179 146 D HN 0.536 nan 8.370 nan 0.000 0.474 147 R N 1.749 121.936 120.500 -0.522 0.000 2.919 147 R HA 0.134 4.472 4.340 -0.004 0.000 0.271 147 R C -1.070 174.897 176.300 -0.556 0.000 0.995 147 R CA -0.020 55.472 56.100 -1.013 0.000 1.158 147 R CB 0.247 30.200 30.300 -0.577 0.000 1.071 147 R HN 0.691 nan 8.270 nan 0.000 0.476 148 C N 3.029 122.060 119.300 -0.447 0.000 2.727 148 C HA 0.225 4.683 4.460 -0.004 0.000 0.369 148 C C 0.139 175.138 174.990 0.016 0.000 1.067 148 C CA -0.790 58.182 59.018 -0.076 0.000 1.273 148 C CB 0.567 28.362 27.740 0.091 0.000 1.778 148 C HN 1.001 nan 8.230 nan 0.000 0.467 149 D N 2.499 122.897 120.400 -0.003 0.000 2.117 149 D HA -0.011 4.626 4.640 -0.004 0.000 0.198 149 D C 0.680 177.010 176.300 0.050 0.000 0.982 149 D CA 1.046 55.061 54.000 0.026 0.000 0.828 149 D CB -0.008 40.795 40.800 0.005 0.000 0.967 149 D HN 0.631 nan 8.370 nan 0.000 0.464 150 L N 1.299 122.547 121.223 0.042 0.000 2.540 150 L HA 0.007 4.345 4.340 -0.004 0.000 0.276 150 L C 0.527 177.431 176.870 0.055 0.000 1.212 150 L CA -0.210 54.653 54.840 0.039 0.000 0.893 150 L CB -0.122 41.954 42.059 0.028 0.000 1.138 150 L HN -0.042 nan 8.230 nan 0.000 0.491 151 N N 2.588 121.311 118.700 0.039 0.000 2.807 151 N HA 0.151 4.889 4.740 -0.004 0.000 0.259 151 N C -0.485 175.032 175.510 0.011 0.000 1.149 151 N CA -0.432 52.638 53.050 0.033 0.000 1.042 151 N CB 0.130 38.630 38.487 0.022 0.000 1.367 151 N HN 0.555 nan 8.380 nan 0.000 0.516 152 C N 2.442 121.750 119.300 0.013 0.000 2.665 152 C HA 0.186 4.644 4.460 -0.004 0.000 0.416 152 C C 0.763 175.719 174.990 -0.058 0.000 1.305 152 C CA -0.513 58.497 59.018 -0.014 0.000 1.903 152 C CB -0.365 27.370 27.740 -0.009 0.000 2.704 152 C HN 0.505 nan 8.230 nan 0.000 0.629 153 R N 2.406 122.858 120.500 -0.081 0.000 2.202 153 R HA 0.346 4.684 4.340 -0.004 0.000 0.334 153 R C -0.823 175.293 176.300 -0.306 0.000 1.036 153 R CA -0.346 55.641 56.100 -0.188 0.000 0.878 153 R CB 0.401 30.637 30.300 -0.106 0.000 1.067 153 R HN 0.510 nan 8.270 nan 0.000 0.457 154 I N 5.035 125.381 120.570 -0.373 0.000 2.322 154 I HA 0.128 4.295 4.170 -0.004 0.000 0.292 154 I C 0.490 176.329 176.117 -0.464 0.000 1.060 154 I CA 0.261 61.376 61.300 -0.308 0.000 1.309 154 I CB 0.117 38.006 38.000 -0.185 0.000 1.415 154 I HN 0.256 nan 8.210 nan 0.000 0.492 155 H N 3.586 122.633 119.070 -0.039 0.000 2.946 155 H HA 0.275 4.829 4.556 -0.003 0.000 0.365 155 H C 0.854 176.157 175.328 -0.042 0.000 1.197 155 H CA -0.950 55.077 56.048 -0.035 0.000 1.131 155 H CB 1.485 31.232 29.762 -0.026 0.000 1.849 155 H HN 0.271 nan 8.280 nan 0.000 0.555 156 K N 1.165 121.635 120.400 0.117 0.000 2.108 156 K HA -0.264 4.054 4.320 -0.004 0.000 0.219 156 K C 1.790 178.397 176.600 0.012 0.000 1.054 156 K CA 2.261 58.571 56.287 0.037 0.000 0.945 156 K CB 0.121 32.632 32.500 0.019 0.000 0.728 156 K HN 0.413 nan 8.250 nan 0.000 0.462 157 K N -0.470 119.944 120.400 0.025 0.000 2.029 157 K HA 0.012 4.330 4.320 -0.004 0.000 0.205 157 K C 2.224 178.817 176.600 -0.012 0.000 1.042 157 K CA 1.700 57.987 56.287 0.001 0.000 0.949 157 K CB -0.634 31.868 32.500 0.002 0.000 0.740 157 K HN 0.204 nan 8.250 nan 0.000 0.442 158 S N 1.556 117.261 115.700 0.008 0.000 2.440 158 S HA -0.162 4.306 4.470 -0.004 0.000 0.238 158 S C 1.935 176.495 174.600 -0.066 0.000 1.010 158 S CA 1.512 59.700 58.200 -0.020 0.000 0.972 158 S CB -0.404 62.796 63.200 0.001 0.000 0.774 158 S HN 0.511 nan 8.310 nan 0.000 0.501 159 R N 1.220 121.674 120.500 -0.076 0.000 2.174 159 R HA -0.063 4.275 4.340 -0.004 0.000 0.253 159 R C 1.270 177.442 176.300 -0.212 0.000 1.165 159 R CA 2.075 58.091 56.100 -0.140 0.000 0.984 159 R CB -0.752 29.472 30.300 -0.127 0.000 0.873 159 R HN 0.387 nan 8.270 nan 0.000 0.456 160 N N 0.106 118.706 118.700 -0.167 0.000 2.376 160 N HA 0.099 4.837 4.740 -0.004 0.000 0.249 160 N C -0.077 175.347 175.510 -0.143 0.000 1.140 160 N CA -0.075 52.861 53.050 -0.189 0.000 0.870 160 N CB 0.551 38.954 38.487 -0.140 0.000 1.124 160 N HN 0.393 nan 8.380 nan 0.000 0.505 161 K N -0.265 120.058 120.400 -0.129 0.000 2.230 161 K HA 0.162 4.480 4.320 -0.004 0.000 0.219 161 K C 0.492 177.038 176.600 -0.090 0.000 1.033 161 K CA 0.235 56.469 56.287 -0.088 0.000 0.937 161 K CB 0.058 32.522 32.500 -0.060 0.000 1.018 161 K HN -0.021 nan 8.250 nan 0.000 0.463 162 C N 2.909 122.163 119.300 -0.077 0.000 2.225 162 C HA 0.201 4.659 4.460 -0.004 0.000 0.328 162 C C 1.444 176.386 174.990 -0.081 0.000 1.187 162 C CA -0.466 58.526 59.018 -0.043 0.000 1.665 162 C CB -0.554 27.197 27.740 0.019 0.000 2.253 162 C HN 0.453 nan 8.230 nan 0.000 0.497 163 Q N 2.543 122.241 119.800 -0.169 0.000 2.124 163 Q HA -0.186 4.152 4.340 -0.004 0.000 0.202 163 Q C 1.371 177.330 176.000 -0.069 0.000 0.977 163 Q CA 1.871 57.469 55.803 -0.341 0.000 0.850 163 Q CB -0.072 28.084 28.738 -0.969 0.000 0.901 163 Q HN 0.989 nan 8.270 nan 0.000 0.429 164 Y N 0.065 120.367 120.300 0.005 0.000 2.145 164 Y HA -0.278 4.270 4.550 -0.004 0.000 0.286 164 Y C 2.244 178.269 175.900 0.209 0.000 1.145 164 Y CA 1.215 59.462 58.100 0.245 0.000 1.148 164 Y CB -0.546 38.029 38.460 0.191 0.000 0.981 164 Y HN 0.123 nan 8.280 nan 0.000 0.507 165 C N 0.807 120.209 119.300 0.170 0.000 2.432 165 C HA -0.088 4.370 4.460 -0.004 0.000 0.280 165 C C 2.920 177.913 174.990 0.005 0.000 1.353 165 C CA 1.324 60.376 59.018 0.056 0.000 1.766 165 C CB -1.308 26.482 27.740 0.082 0.000 1.924 165 C HN 0.619 nan 8.230 nan 0.000 0.509 166 R N -0.892 119.632 120.500 0.040 0.000 2.052 166 R HA -0.076 4.262 4.340 -0.004 0.000 0.226 166 R C 2.192 178.642 176.300 0.249 0.000 1.145 166 R CA 1.573 57.701 56.100 0.046 0.000 0.952 166 R CB -0.687 29.521 30.300 -0.154 0.000 0.847 166 R HN 0.434 nan 8.270 nan 0.000 0.431 167 F N 2.127 122.271 119.950 0.322 0.000 2.069 167 F HA -0.281 4.244 4.527 -0.004 0.000 0.298 167 F C 2.546 178.378 175.800 0.055 0.000 1.113 167 F CA 2.209 60.383 58.000 0.291 0.000 1.214 167 F CB -0.669 38.483 39.000 0.253 0.000 0.978 167 F HN 0.117 nan 8.300 nan 0.000 0.474 168 Q N 0.971 120.748 119.800 -0.039 0.000 2.047 168 Q HA -0.314 4.024 4.340 -0.004 0.000 0.211 168 Q C 2.309 178.208 176.000 -0.168 0.000 1.005 168 Q CA 2.750 58.414 55.803 -0.231 0.000 0.866 168 Q CB -0.576 27.910 28.738 -0.420 0.000 0.938 168 Q HN 0.510 nan 8.270 nan 0.000 0.414 169 K N -0.536 119.800 120.400 -0.107 0.000 2.020 169 K HA -0.189 4.129 4.320 -0.004 0.000 0.212 169 K C 2.205 178.739 176.600 -0.110 0.000 1.050 169 K CA 1.866 58.099 56.287 -0.090 0.000 0.929 169 K CB -0.703 31.756 32.500 -0.069 0.000 0.714 169 K HN 0.592 nan 8.250 nan 0.000 0.443 170 C N 0.432 119.668 119.300 -0.106 0.000 2.443 170 C HA 0.100 4.558 4.460 -0.004 0.000 0.290 170 C C 2.170 177.014 174.990 -0.243 0.000 1.476 170 C CA -0.106 58.821 59.018 -0.152 0.000 1.772 170 C CB -1.320 26.366 27.740 -0.090 0.000 1.714 170 C HN 0.486 nan 8.230 nan 0.000 0.562 171 L N 0.477 121.549 121.223 -0.252 0.000 2.307 171 L HA 0.157 4.495 4.340 -0.004 0.000 0.211 171 L C 2.964 179.745 176.870 -0.149 0.000 1.099 171 L CA 0.996 55.699 54.840 -0.229 0.000 0.816 171 L CB -0.378 41.516 42.059 -0.275 0.000 0.952 171 L HN 0.380 nan 8.230 nan 0.000 0.455 172 A N -0.153 122.590 122.820 -0.128 0.000 2.016 172 A HA -0.087 4.231 4.320 -0.004 0.000 0.217 172 A C 2.044 179.578 177.584 -0.082 0.000 1.162 172 A CA 1.248 53.233 52.037 -0.087 0.000 0.662 172 A CB -0.479 18.479 19.000 -0.070 0.000 0.812 172 A HN 0.293 nan 8.150 nan 0.000 0.450 173 V N -3.672 116.179 119.914 -0.105 0.000 3.380 173 V HA 0.433 4.551 4.120 -0.004 0.000 0.268 173 V C 1.460 177.486 176.094 -0.114 0.000 1.168 173 V CA 1.220 63.463 62.300 -0.095 0.000 1.156 173 V CB -0.660 31.103 31.823 -0.101 0.000 0.785 173 V HN 1.308 nan 8.190 nan 0.000 0.487 174 G N -0.734 107.985 108.800 -0.135 0.000 2.231 174 G HA2 -0.234 3.724 3.960 -0.004 0.000 0.206 174 G HA3 -0.234 3.724 3.960 -0.004 0.000 0.206 174 G C 0.110 174.891 174.900 -0.200 0.000 0.996 174 G CA -0.008 45.012 45.100 -0.134 0.000 0.645 174 G HN 0.428 nan 8.290 nan 0.000 0.498 175 M N 1.876 121.282 119.600 -0.324 0.000 2.394 175 M HA 0.280 4.758 4.480 -0.004 0.000 0.394 175 M C 0.632 176.736 176.300 -0.326 0.000 1.611 175 M CA 1.128 56.106 55.300 -0.536 0.000 0.941 175 M CB 0.438 32.383 32.600 -1.091 0.000 2.094 175 M HN 0.349 nan 8.290 nan 0.000 0.485 176 S N 1.170 116.796 115.700 -0.123 0.000 2.536 176 S HA 0.289 4.757 4.470 -0.004 0.000 0.287 176 S C 0.249 175.046 174.600 0.329 0.000 1.101 176 S CA -0.782 57.498 58.200 0.133 0.000 0.950 176 S CB 1.155 64.394 63.200 0.064 0.000 1.056 176 S HN 0.782 nan 8.310 nan 0.000 0.481 177 H N 3.552 122.812 119.070 0.315 0.000 2.462 177 H HA 0.220 4.773 4.556 -0.004 0.000 0.292 177 H C 0.754 176.217 175.328 0.224 0.000 1.049 177 H CA 1.733 58.001 56.048 0.366 0.000 1.334 177 H CB 0.201 30.098 29.762 0.225 0.000 1.404 177 H HN 0.590 nan 8.280 nan 0.000 0.544 178 N N -0.627 118.196 118.700 0.206 0.000 2.295 178 N HA 0.234 4.972 4.740 -0.004 0.000 0.221 178 N C 0.221 175.769 175.510 0.064 0.000 1.129 178 N CA 0.582 53.697 53.050 0.109 0.000 0.836 178 N CB 0.990 39.542 38.487 0.109 0.000 1.040 178 N HN 0.312 nan 8.380 nan 0.000 0.494 179 A N 0.125 122.971 122.820 0.043 0.000 2.508 179 A HA 0.244 4.562 4.320 -0.004 0.000 0.250 179 A C 0.558 178.108 177.584 -0.056 0.000 1.208 179 A CA -0.486 51.553 52.037 0.003 0.000 0.960 179 A CB -0.289 18.698 19.000 -0.022 0.000 1.099 179 A HN 0.326 nan 8.150 nan 0.000 0.542 180 I N -1.457 119.045 120.570 -0.114 0.000 2.880 180 I HA 0.241 4.409 4.170 -0.004 0.000 0.296 180 I C 0.226 176.210 176.117 -0.222 0.000 1.220 180 I CA 0.283 61.407 61.300 -0.292 0.000 1.435 180 I CB 0.195 37.958 38.000 -0.395 0.000 1.339 180 I HN 0.205 nan 8.210 nan 0.000 0.583 181 R N 5.380 125.687 120.500 -0.322 0.000 2.508 181 R HA 0.465 4.803 4.340 -0.004 0.000 0.283 181 R C -1.472 174.684 176.300 -0.240 0.000 1.120 181 R CA -0.548 55.470 56.100 -0.136 0.000 0.958 181 R CB 1.299 31.634 30.300 0.059 0.000 1.215 181 R HN 0.690 nan 8.270 nan 0.000 0.427 182 F N 1.745 121.682 119.950 -0.022 0.000 2.282 182 F HA 0.665 5.190 4.527 -0.003 0.000 0.289 182 F C 1.771 177.556 175.800 -0.025 0.000 0.959 182 F CA 0.674 58.657 58.000 -0.028 0.000 1.129 182 F CB 0.179 39.162 39.000 -0.029 0.000 1.864 182 F HN 0.783 nan 8.300 nan 0.000 0.569 183 G N 0.215 109.144 108.800 0.216 0.000 2.496 183 G HA2 -0.168 3.790 3.960 -0.004 0.000 0.243 183 G HA3 -0.168 3.790 3.960 -0.004 0.000 0.243 183 G C -0.439 174.487 174.900 0.044 0.000 1.176 183 G CA -0.363 44.794 45.100 0.096 0.000 0.940 183 G HN 0.644 nan 8.290 nan 0.000 0.573 184 R N -1.388 119.121 120.500 0.015 0.000 3.076 184 R HA 0.736 5.074 4.340 -0.004 0.000 0.239 184 R C -0.282 175.999 176.300 -0.032 0.000 1.392 184 R CA -1.083 55.013 56.100 -0.006 0.000 1.044 184 R CB 0.821 31.118 30.300 -0.005 0.000 1.389 184 R HN 0.376 nan 8.270 nan 0.000 0.498 185 M N 2.357 121.933 119.600 -0.040 0.000 2.325 185 M HA 0.248 4.726 4.480 -0.004 0.000 0.305 185 M C -2.055 174.217 176.300 -0.047 0.000 1.047 185 M CA -1.840 53.423 55.300 -0.062 0.000 0.981 185 M CB 0.910 33.469 32.600 -0.067 0.000 1.307 185 M HN 0.261 nan 8.290 nan 0.000 0.418 186 P HA -0.123 nan 4.420 nan 0.000 0.216 186 P C -0.013 177.267 177.300 -0.033 0.000 1.153 186 P CA 1.456 64.536 63.100 -0.032 0.000 0.858 186 P CB 0.330 32.012 31.700 -0.029 0.000 0.789 187 Q N -1.785 117.989 119.800 -0.044 0.000 2.324 187 Q HA 0.451 4.789 4.340 -0.004 0.000 0.373 187 Q C 0.943 176.915 176.000 -0.047 0.000 0.909 187 Q CA -0.308 55.472 55.803 -0.039 0.000 1.135 187 Q CB 0.664 29.380 28.738 -0.037 0.000 1.313 187 Q HN 0.074 nan 8.270 nan 0.000 0.417 188 A N 0.727 123.518 122.820 -0.048 0.000 1.968 188 A HA -0.204 4.114 4.320 -0.004 0.000 0.217 188 A C 1.897 179.459 177.584 -0.037 0.000 1.169 188 A CA 1.334 53.341 52.037 -0.051 0.000 0.638 188 A CB -0.107 18.864 19.000 -0.047 0.000 0.812 188 A HN 0.574 nan 8.150 nan 0.000 0.446 189 E N 0.279 120.461 120.200 -0.029 0.000 2.187 189 E HA -0.300 4.047 4.350 -0.004 0.000 0.199 189 E C 1.950 178.538 176.600 -0.021 0.000 1.004 189 E CA 1.767 58.154 56.400 -0.022 0.000 0.813 189 E CB -0.131 29.558 29.700 -0.018 0.000 0.736 189 E HN 0.684 nan 8.360 nan 0.000 0.468 190 K N 0.344 120.729 120.400 -0.024 0.000 1.965 190 K HA -0.141 4.177 4.320 -0.004 0.000 0.214 190 K C 1.073 177.662 176.600 -0.020 0.000 1.046 190 K CA 1.545 57.820 56.287 -0.021 0.000 0.944 190 K CB 0.062 32.548 32.500 -0.025 0.000 0.726 190 K HN -0.015 nan 8.250 nan 0.000 0.441 191 E N 0.992 121.177 120.200 -0.025 0.000 2.296 191 E HA -0.041 4.307 4.350 -0.004 0.000 0.196 191 E C 0.474 177.058 176.600 -0.026 0.000 1.143 191 E CA 0.268 56.657 56.400 -0.020 0.000 1.145 191 E CB 0.846 30.538 29.700 -0.014 0.000 1.215 191 E HN 0.170 nan 8.360 nan 0.000 0.447 192 K N 0.506 120.891 120.400 -0.025 0.000 2.367 192 K HA 0.028 4.346 4.320 -0.004 0.000 0.194 192 K C 0.843 177.430 176.600 -0.021 0.000 1.027 192 K CA 0.193 56.465 56.287 -0.026 0.000 1.075 192 K CB 0.141 32.628 32.500 -0.023 0.000 0.845 192 K HN 0.048 nan 8.250 nan 0.000 0.529 193 L N 0.064 121.277 121.223 -0.017 0.000 2.888 193 L HA 0.389 4.727 4.340 -0.004 0.000 0.237 193 L C -0.022 176.840 176.870 -0.013 0.000 1.288 193 L CA 0.117 54.949 54.840 -0.013 0.000 1.110 193 L CB -0.788 41.266 42.059 -0.009 0.000 1.441 193 L HN 0.002 nan 8.230 nan 0.000 0.474 194 L N -0.078 121.133 121.223 -0.020 0.000 3.991 194 L HA -0.406 3.932 4.340 -0.004 0.000 0.437 194 L C 1.535 178.397 176.870 -0.014 0.000 1.138 194 L CA 0.486 55.312 54.840 -0.023 0.000 0.964 194 L CB -1.810 40.236 42.059 -0.021 0.000 1.867 194 L HN 0.768 nan 8.230 nan 0.000 1.028 195 A N -0.830 121.985 122.820 -0.009 0.000 2.693 195 A HA -0.277 4.041 4.320 -0.004 0.000 0.313 195 A C 1.358 178.942 177.584 0.001 0.000 1.522 195 A CA 2.093 54.130 52.037 -0.000 0.000 0.965 195 A CB -0.632 18.373 19.000 0.010 0.000 0.939 195 A HN 0.668 nan 8.150 nan 0.000 0.484 196 E N -2.091 118.107 120.200 -0.003 0.000 2.801 196 E HA 0.122 4.470 4.350 -0.004 0.000 0.212 196 E C 0.972 177.570 176.600 -0.003 0.000 0.963 196 E CA 0.474 56.872 56.400 -0.002 0.000 1.247 196 E CB -0.041 29.656 29.700 -0.004 0.000 1.076 196 E HN 0.912 nan 8.360 nan 0.000 0.504 197 I N -1.886 118.682 120.570 -0.004 0.000 3.334 197 I HA 0.061 4.229 4.170 -0.004 0.000 0.282 197 I C 1.461 177.576 176.117 -0.002 0.000 1.313 197 I CA 0.856 62.154 61.300 -0.003 0.000 1.396 197 I CB -0.200 37.797 38.000 -0.003 0.000 1.054 197 I HN -0.205 nan 8.210 nan 0.000 0.495 198 S N -0.290 115.409 115.700 -0.001 0.000 2.492 198 S HA 0.115 4.583 4.470 -0.004 0.000 0.218 198 S C 1.832 176.431 174.600 -0.001 0.000 1.016 198 S CA 0.603 58.802 58.200 -0.001 0.000 0.916 198 S CB 0.004 63.203 63.200 -0.000 0.000 0.791 198 S HN 0.515 nan 8.310 nan 0.000 0.513 199 S N 1.252 116.952 115.700 -0.001 0.000 2.556 199 S HA 0.137 4.604 4.470 -0.004 0.000 0.216 199 S C 0.429 175.027 174.600 -0.003 0.000 0.970 199 S CA 0.072 58.270 58.200 -0.002 0.000 0.912 199 S CB 0.039 63.238 63.200 -0.002 0.000 0.790 199 S HN 0.326 nan 8.310 nan 0.000 0.504 200 D N 1.435 121.833 120.400 -0.002 0.000 2.350 200 D HA 0.147 4.785 4.640 -0.004 0.000 0.213 200 D C 1.369 177.668 176.300 -0.001 0.000 1.031 200 D CA 0.328 54.327 54.000 -0.002 0.000 0.861 200 D CB 0.174 40.973 40.800 -0.002 0.000 0.926 200 D HN 0.562 nan 8.370 nan 0.000 0.520 201 I N -3.796 116.773 120.570 -0.001 0.000 4.082 201 I HA 0.353 4.521 4.170 -0.004 0.000 0.337 201 I C 0.199 176.315 176.117 -0.001 0.000 1.352 201 I CA 0.121 61.421 61.300 -0.001 0.000 1.097 201 I CB 0.651 38.650 38.000 -0.001 0.000 1.048 201 I HN -0.326 nan 8.210 nan 0.000 0.393 202 D N 0.143 120.542 120.400 -0.002 0.000 2.932 202 D HA 0.024 4.662 4.640 -0.004 0.000 0.294 202 D C 2.034 178.332 176.300 -0.003 0.000 1.119 202 D CA 0.380 54.379 54.000 -0.002 0.000 0.980 202 D CB 0.278 41.077 40.800 -0.002 0.000 1.361 202 D HN 0.071 nan 8.370 nan 0.000 0.466 203 Q N 0.162 119.960 119.800 -0.004 0.000 2.165 203 Q HA 0.114 4.452 4.340 -0.004 0.000 0.197 203 Q C 1.110 177.106 176.000 -0.006 0.000 0.952 203 Q CA 0.269 56.068 55.803 -0.006 0.000 0.848 203 Q CB -0.045 28.689 28.738 -0.007 0.000 0.931 203 Q HN 0.192 nan 8.270 nan 0.000 0.470 204 L N 2.901 124.122 121.223 -0.004 0.000 2.858 204 L HA 0.042 4.380 4.340 -0.004 0.000 0.243 204 L C -0.367 176.502 176.870 -0.001 0.000 1.416 204 L CA 0.541 55.379 54.840 -0.002 0.000 1.182 204 L CB -1.312 40.747 42.059 -0.000 0.000 1.564 204 L HN 0.351 nan 8.230 nan 0.000 0.436 205 N N -1.523 117.175 118.700 -0.003 0.000 4.387 205 N HA 0.085 4.823 4.740 -0.004 0.000 0.221 205 N C -3.026 172.482 175.510 -0.004 0.000 1.261 205 N CA -0.518 52.530 53.050 -0.003 0.000 0.772 205 N CB 0.234 38.720 38.487 -0.002 0.000 1.524 205 N HN -0.228 nan 8.380 nan 0.000 0.440 206 P HA -0.008 nan 4.420 nan 0.000 0.211 206 P C 0.551 177.849 177.300 -0.003 0.000 1.183 206 P CA 1.457 64.555 63.100 -0.003 0.000 0.901 206 P CB 0.078 31.776 31.700 -0.003 0.000 0.762 207 E N 0.014 120.211 120.200 -0.004 0.000 2.301 207 E HA 0.065 4.412 4.350 -0.004 0.000 0.195 207 E C 1.321 177.918 176.600 -0.006 0.000 1.171 207 E CA -0.016 56.381 56.400 -0.004 0.000 1.142 207 E CB -0.911 28.786 29.700 -0.005 0.000 1.218 207 E HN 0.096 nan 8.360 nan 0.000 0.448 208 S N -1.877 113.819 115.700 -0.006 0.000 2.663 208 S HA 0.282 4.750 4.470 -0.004 0.000 0.247 208 S C 1.837 176.435 174.600 -0.003 0.000 1.074 208 S CA 0.406 58.602 58.200 -0.007 0.000 0.955 208 S CB 0.032 63.226 63.200 -0.010 0.000 0.901 208 S HN 0.256 nan 8.310 nan 0.000 0.505 209 A N 2.713 125.532 122.820 -0.001 0.000 1.972 209 A HA -0.078 4.240 4.320 -0.004 0.000 0.219 209 A C 1.845 179.433 177.584 0.007 0.000 1.169 209 A CA 1.794 53.833 52.037 0.002 0.000 0.635 209 A CB -0.715 18.286 19.000 0.002 0.000 0.810 209 A HN 0.836 nan 8.150 nan 0.000 0.446 210 D N 0.421 120.824 120.400 0.005 0.000 2.149 210 D HA -0.146 4.492 4.640 -0.004 0.000 0.201 210 D C 1.929 178.237 176.300 0.013 0.000 0.972 210 D CA 1.059 55.062 54.000 0.006 0.000 0.835 210 D CB -0.667 40.133 40.800 0.001 0.000 0.966 210 D HN 0.472 nan 8.370 nan 0.000 0.476 211 L N 0.172 121.401 121.223 0.010 0.000 1.989 211 L HA -0.120 4.218 4.340 -0.004 0.000 0.211 211 L C 3.031 179.918 176.870 0.027 0.000 1.071 211 L CA 1.293 56.142 54.840 0.016 0.000 0.749 211 L CB -0.412 41.648 42.059 0.003 0.000 0.890 211 L HN -0.061 nan 8.230 nan 0.000 0.431 212 R N -0.433 120.079 120.500 0.021 0.000 2.189 212 R HA -0.088 4.250 4.340 -0.004 0.000 0.223 212 R C 2.261 178.590 176.300 0.048 0.000 1.092 212 R CA 0.970 57.086 56.100 0.028 0.000 0.989 212 R CB -0.219 30.089 30.300 0.014 0.000 0.876 212 R HN 0.373 nan 8.270 nan 0.000 0.457 213 A N 0.744 123.591 122.820 0.044 0.000 1.970 213 A HA -0.102 4.216 4.320 -0.004 0.000 0.216 213 A C 1.956 179.592 177.584 0.086 0.000 1.170 213 A CA 0.653 52.724 52.037 0.057 0.000 0.645 213 A CB -0.196 18.824 19.000 0.033 0.000 0.816 213 A HN 0.234 nan 8.150 nan 0.000 0.447 214 L N -0.213 121.054 121.223 0.073 0.000 2.072 214 L HA 0.050 4.388 4.340 -0.004 0.000 0.205 214 L C 2.589 179.554 176.870 0.159 0.000 1.079 214 L CA 2.049 56.948 54.840 0.098 0.000 0.752 214 L CB -0.852 41.244 42.059 0.062 0.000 0.906 214 L HN 0.312 nan 8.230 nan 0.000 0.436 215 A N -0.114 122.781 122.820 0.125 0.000 1.851 215 A HA -0.293 4.025 4.320 -0.004 0.000 0.216 215 A C 2.367 180.060 177.584 0.181 0.000 1.195 215 A CA 2.187 54.306 52.037 0.137 0.000 0.622 215 A CB -0.843 18.207 19.000 0.085 0.000 0.831 215 A HN 0.435 nan 8.150 nan 0.000 0.444 216 K N -0.458 120.039 120.400 0.163 0.000 2.059 216 K HA -0.268 4.050 4.320 -0.004 0.000 0.212 216 K C 1.871 178.592 176.600 0.201 0.000 1.050 216 K CA 2.459 58.864 56.287 0.195 0.000 0.927 216 K CB -0.718 31.869 32.500 0.146 0.000 0.714 216 K HN 0.715 nan 8.250 nan 0.000 0.447 217 H N -0.207 118.925 119.070 0.104 0.000 2.319 217 H HA -0.069 4.484 4.556 -0.005 0.000 0.297 217 H C 1.729 177.126 175.328 0.115 0.000 1.097 217 H CA 2.433 58.531 56.048 0.083 0.000 1.285 217 H CB -0.157 29.638 29.762 0.055 0.000 1.368 217 H HN 0.199 nan 8.280 nan 0.000 0.495 218 L N -0.949 120.370 121.223 0.159 0.000 2.109 218 L HA -0.160 4.178 4.340 -0.004 0.000 0.207 218 L C 2.239 179.265 176.870 0.260 0.000 1.086 218 L CA 1.229 56.193 54.840 0.206 0.000 0.760 218 L CB -0.629 41.604 42.059 0.290 0.000 0.910 218 L HN 0.360 nan 8.230 nan 0.000 0.437 219 Y N 1.464 121.821 120.300 0.096 0.000 2.274 219 Y HA -0.258 4.291 4.550 -0.002 0.000 0.290 219 Y C 2.059 178.017 175.900 0.097 0.000 1.145 219 Y CA 1.457 59.587 58.100 0.050 0.000 1.203 219 Y CB -0.339 38.125 38.460 0.007 0.000 0.984 219 Y HN 0.236 nan 8.280 nan 0.000 0.533 220 D N -1.292 119.006 120.400 -0.170 0.000 2.162 220 D HA -0.112 4.526 4.640 -0.004 0.000 0.203 220 D C 2.362 178.561 176.300 -0.168 0.000 0.967 220 D CA 1.389 55.233 54.000 -0.259 0.000 0.840 220 D CB -0.413 40.293 40.800 -0.156 0.000 0.972 220 D HN 0.310 nan 8.370 nan 0.000 0.482 221 S N -0.752 114.882 115.700 -0.110 0.000 2.428 221 S HA -0.167 4.301 4.470 -0.004 0.000 0.230 221 S C 1.866 176.521 174.600 0.091 0.000 1.014 221 S CA 0.471 58.650 58.200 -0.036 0.000 0.957 221 S CB -0.206 62.960 63.200 -0.058 0.000 0.784 221 S HN 0.322 nan 8.310 nan 0.000 0.499 222 Y N 1.840 122.126 120.300 -0.023 0.000 2.220 222 Y HA 0.042 4.591 4.550 -0.002 0.000 0.291 222 Y C 1.818 177.597 175.900 -0.202 0.000 1.129 222 Y CA 1.269 59.243 58.100 -0.209 0.000 1.161 222 Y CB -0.339 38.092 38.460 -0.049 0.000 0.997 222 Y HN 0.206 nan 8.280 nan 0.000 0.522 223 I N 0.870 121.475 120.570 0.060 0.000 2.454 223 I HA -0.261 3.907 4.170 -0.004 0.000 0.254 223 I C 1.676 177.712 176.117 -0.134 0.000 1.156 223 I CA 1.606 62.879 61.300 -0.044 0.000 1.433 223 I CB -1.005 36.882 38.000 -0.189 0.000 1.082 223 I HN 0.331 nan 8.210 nan 0.000 0.432 224 K N -0.303 119.994 120.400 -0.171 0.000 2.393 224 K HA 0.118 4.436 4.320 -0.004 0.000 0.193 224 K C 1.965 178.421 176.600 -0.241 0.000 1.026 224 K CA 0.165 56.354 56.287 -0.163 0.000 1.064 224 K CB 0.364 32.788 32.500 -0.126 0.000 0.833 224 K HN 0.079 nan 8.250 nan 0.000 0.521 225 S N 0.221 115.660 115.700 -0.436 0.000 2.468 225 S HA 0.173 4.641 4.470 -0.004 0.000 0.226 225 S C -0.003 174.128 174.600 -0.781 0.000 1.051 225 S CA 0.336 58.121 58.200 -0.693 0.000 0.943 225 S CB 0.189 62.745 63.200 -1.074 0.000 0.810 225 S HN 0.053 nan 8.310 nan 0.000 0.509 226 F N 1.895 121.672 119.950 -0.288 0.000 2.458 226 F HA 0.450 4.975 4.527 -0.004 0.000 0.336 226 F C -1.510 174.179 175.800 -0.185 0.000 1.114 226 F CA -2.635 55.196 58.000 -0.281 0.000 0.987 226 F CB 0.737 39.457 39.000 -0.466 0.000 1.130 226 F HN -0.110 nan 8.300 nan 0.000 0.458 227 P HA -0.074 nan 4.420 nan 0.000 0.213 227 P C 0.314 177.645 177.300 0.053 0.000 1.169 227 P CA 0.885 64.009 63.100 0.040 0.000 0.885 227 P CB 0.670 32.393 31.700 0.039 0.000 0.779 228 L N 2.323 123.577 121.223 0.053 0.000 2.302 228 L HA 0.261 4.599 4.340 -0.004 0.000 0.285 228 L C 0.307 177.209 176.870 0.054 0.000 1.090 228 L CA -0.376 54.496 54.840 0.054 0.000 0.866 228 L CB -0.277 41.810 42.059 0.047 0.000 1.244 228 L HN 0.037 nan 8.230 nan 0.000 0.435 229 T N -0.041 114.576 114.554 0.105 0.000 2.847 229 T HA 0.212 4.560 4.350 -0.004 0.000 0.279 229 T C 1.114 175.917 174.700 0.171 0.000 0.984 229 T CA -0.522 61.690 62.100 0.187 0.000 0.988 229 T CB 0.984 70.035 68.868 0.305 0.000 1.040 229 T HN 0.570 nan 8.240 nan 0.000 0.528 230 K N 0.238 120.762 120.400 0.207 0.000 2.211 230 K HA -0.092 4.226 4.320 -0.004 0.000 0.204 230 K C 2.311 178.983 176.600 0.121 0.000 1.047 230 K CA 1.162 57.539 56.287 0.150 0.000 0.935 230 K CB -0.770 31.817 32.500 0.146 0.000 0.728 230 K HN 0.712 nan 8.250 nan 0.000 0.452 231 A N 1.847 124.748 122.820 0.136 0.000 1.834 231 A HA -0.199 4.119 4.320 -0.004 0.000 0.216 231 A C 1.929 179.568 177.584 0.092 0.000 1.203 231 A CA 1.613 53.715 52.037 0.107 0.000 0.621 231 A CB -0.508 18.569 19.000 0.127 0.000 0.841 231 A HN 0.157 nan 8.150 nan 0.000 0.446 232 K N -0.345 120.115 120.400 0.100 0.000 2.015 232 K HA -0.209 4.109 4.320 -0.004 0.000 0.216 232 K C 2.307 178.954 176.600 0.078 0.000 1.052 232 K CA 1.623 57.960 56.287 0.083 0.000 0.937 232 K CB -1.017 31.533 32.500 0.083 0.000 0.719 232 K HN 0.482 nan 8.250 nan 0.000 0.446 233 A N 1.430 124.303 122.820 0.088 0.000 1.948 233 A HA -0.215 4.103 4.320 -0.004 0.000 0.220 233 A C 2.183 179.815 177.584 0.081 0.000 1.177 233 A CA 1.726 53.817 52.037 0.090 0.000 0.636 233 A CB -0.436 18.624 19.000 0.100 0.000 0.815 233 A HN 0.301 nan 8.150 nan 0.000 0.449 234 R N -1.143 119.400 120.500 0.072 0.000 2.193 234 R HA 0.087 4.425 4.340 -0.004 0.000 0.213 234 R C 2.340 178.664 176.300 0.040 0.000 1.055 234 R CA 0.783 56.916 56.100 0.055 0.000 0.995 234 R CB -0.232 30.096 30.300 0.047 0.000 0.893 234 R HN 0.554 nan 8.270 nan 0.000 0.459 235 A N 1.280 124.127 122.820 0.044 0.000 1.855 235 A HA -0.052 4.266 4.320 -0.004 0.000 0.213 235 A C 2.025 179.625 177.584 0.027 0.000 1.195 235 A CA 0.709 52.766 52.037 0.033 0.000 0.610 235 A CB -0.337 18.686 19.000 0.038 0.000 0.837 235 A HN 0.119 nan 8.150 nan 0.000 0.444 236 I N -0.705 119.888 120.570 0.038 0.000 2.315 236 I HA -0.254 3.914 4.170 -0.004 0.000 0.251 236 I C 2.243 178.366 176.117 0.009 0.000 1.125 236 I CA 1.125 62.445 61.300 0.034 0.000 1.392 236 I CB -0.297 37.739 38.000 0.059 0.000 1.065 236 I HN 0.248 nan 8.210 nan 0.000 0.424 237 L N 0.235 121.468 121.223 0.017 0.000 2.202 237 L HA -0.061 4.276 4.340 -0.004 0.000 0.205 237 L C 2.572 179.425 176.870 -0.028 0.000 1.083 237 L CA 1.847 56.681 54.840 -0.010 0.000 0.790 237 L CB -0.679 41.403 42.059 0.038 0.000 0.942 237 L HN 0.312 nan 8.230 nan 0.000 0.452 238 T N -4.348 110.202 114.554 -0.008 0.000 3.129 238 T HA 0.249 4.597 4.350 -0.004 0.000 0.251 238 T C 1.554 176.245 174.700 -0.016 0.000 1.117 238 T CA 0.399 62.492 62.100 -0.012 0.000 1.034 238 T CB -0.109 68.758 68.868 -0.001 0.000 0.968 238 T HN 0.394 nan 8.240 nan 0.000 0.526 239 G N 2.136 110.925 108.800 -0.017 0.000 2.228 239 G HA2 -0.335 3.623 3.960 -0.004 0.000 0.270 239 G HA3 -0.335 3.623 3.960 -0.004 0.000 0.270 239 G C 0.325 175.224 174.900 -0.002 0.000 0.976 239 G CA 0.380 45.471 45.100 -0.015 0.000 0.636 239 G HN 0.605 nan 8.290 nan 0.000 0.542 240 K N 1.415 121.817 120.400 0.003 0.000 2.449 240 K HA 0.367 4.685 4.320 -0.004 0.000 0.237 240 K C 0.307 176.917 176.600 0.016 0.000 1.265 240 K CA 0.730 57.022 56.287 0.009 0.000 1.193 240 K CB 0.095 32.601 32.500 0.010 0.000 1.515 240 K HN 0.272 nan 8.250 nan 0.000 0.259 241 T N -1.219 113.344 114.554 0.016 0.000 2.821 241 T HA 0.082 4.430 4.350 -0.004 0.000 0.306 241 T C -0.255 174.457 174.700 0.021 0.000 1.313 241 T CA -0.570 61.543 62.100 0.022 0.000 1.012 241 T CB 1.915 70.799 68.868 0.026 0.000 1.298 241 T HN 0.127 nan 8.240 nan 0.000 0.502 242 T N 2.483 117.051 114.554 0.023 0.000 3.341 242 T HA 0.376 4.724 4.350 -0.004 0.000 0.234 242 T C -0.754 173.961 174.700 0.024 0.000 0.890 242 T CA -0.265 61.848 62.100 0.022 0.000 0.952 242 T CB -1.033 67.848 68.868 0.022 0.000 1.146 242 T HN 0.509 nan 8.240 nan 0.000 0.591 243 D N 0.797 121.212 120.400 0.025 0.000 2.553 243 D HA 0.498 5.135 4.640 -0.004 0.000 0.249 243 D C -0.505 175.811 176.300 0.028 0.000 1.062 243 D CA -0.702 53.315 54.000 0.029 0.000 1.085 243 D CB 1.355 42.176 40.800 0.035 0.000 1.350 243 D HN 0.216 nan 8.370 nan 0.000 0.575 244 K N -0.169 120.252 120.400 0.034 0.000 2.172 244 K HA 0.484 4.802 4.320 -0.004 0.000 0.276 244 K C -0.378 176.249 176.600 0.046 0.000 1.013 244 K CA -0.513 55.795 56.287 0.036 0.000 0.913 244 K CB 1.079 33.601 32.500 0.037 0.000 1.055 244 K HN 0.116 nan 8.250 nan 0.000 0.461 245 S N 4.250 119.975 115.700 0.041 0.000 2.546 245 S HA 0.031 4.499 4.470 -0.004 0.000 0.290 245 S C -2.104 172.546 174.600 0.082 0.000 1.262 245 S CA -0.887 57.336 58.200 0.038 0.000 1.083 245 S CB -0.461 62.752 63.200 0.022 0.000 0.859 245 S HN 0.421 nan 8.310 nan 0.000 0.495 246 P HA -0.085 nan 4.420 nan 0.000 0.263 246 P C -0.320 177.118 177.300 0.229 0.000 1.162 246 P CA -0.032 63.161 63.100 0.155 0.000 0.758 246 P CB 0.201 31.991 31.700 0.152 0.000 0.773 247 F N 5.333 125.346 119.950 0.106 0.000 2.490 247 F HA 0.107 4.632 4.527 -0.004 0.000 0.357 247 F C -0.083 175.813 175.800 0.161 0.000 1.166 247 F CA -0.748 57.315 58.000 0.105 0.000 1.116 247 F CB -0.474 38.570 39.000 0.074 0.000 1.171 247 F HN -0.025 nan 8.300 nan 0.000 0.576 248 V N 7.910 127.759 119.914 -0.109 0.000 2.788 248 V HA -0.037 4.081 4.120 -0.004 0.000 0.307 248 V C 0.705 176.503 176.094 -0.493 0.000 1.069 248 V CA 0.299 62.552 62.300 -0.079 0.000 1.173 248 V CB 0.612 32.508 31.823 0.123 0.000 0.925 248 V HN 0.542 nan 8.190 nan 0.000 0.492 249 I N 5.488 125.912 120.570 -0.243 0.000 2.623 249 I HA 0.217 4.385 4.170 -0.004 0.000 0.275 249 I C -0.095 175.798 176.117 -0.373 0.000 1.108 249 I CA -0.328 60.720 61.300 -0.421 0.000 1.120 249 I CB 0.533 38.369 38.000 -0.273 0.000 1.249 249 I HN 0.820 nan 8.210 nan 0.000 0.500 250 Y N 2.200 122.254 120.300 -0.410 0.000 2.524 250 Y HA 0.472 5.020 4.550 -0.003 0.000 0.266 250 Y C -0.111 175.364 175.900 -0.708 0.000 1.180 250 Y CA -0.715 57.137 58.100 -0.413 0.000 1.244 250 Y CB -0.135 38.228 38.460 -0.163 0.000 1.125 250 Y HN 0.479 nan 8.280 nan 0.000 0.524 251 D N -2.744 116.784 120.400 -1.452 0.000 2.890 251 D HA 0.002 4.640 4.640 -0.004 0.000 0.306 251 D C 0.521 176.369 176.300 -0.754 0.000 1.280 251 D CA -0.581 52.769 54.000 -1.082 0.000 0.742 251 D CB -0.095 40.387 40.800 -0.530 0.000 1.266 251 D HN -0.099 nan 8.370 nan 0.000 0.433 252 M N 0.439 119.836 119.600 -0.339 0.000 2.088 252 M HA -0.143 4.335 4.480 -0.004 0.000 0.256 252 M C 1.502 177.699 176.300 -0.173 0.000 1.071 252 M CA 1.763 56.971 55.300 -0.153 0.000 1.097 252 M CB -1.975 30.592 32.600 -0.055 0.000 1.315 252 M HN 0.484 nan 8.290 nan 0.000 0.406 253 N N 1.196 119.779 118.700 -0.195 0.000 2.011 253 N HA -0.166 4.572 4.740 -0.004 0.000 0.199 253 N C 1.857 177.288 175.510 -0.132 0.000 1.047 253 N CA 2.454 55.421 53.050 -0.138 0.000 0.863 253 N CB -0.713 37.696 38.487 -0.130 0.000 1.056 253 N HN 0.574 nan 8.380 nan 0.000 0.427 254 S N 1.328 116.846 115.700 -0.303 0.000 2.368 254 S HA -0.082 4.386 4.470 -0.004 0.000 0.225 254 S C 2.185 176.719 174.600 -0.109 0.000 1.030 254 S CA 0.715 58.789 58.200 -0.211 0.000 0.999 254 S CB -0.790 62.024 63.200 -0.643 0.000 0.844 254 S HN 0.361 nan 8.310 nan 0.000 0.459 255 L N 0.687 121.784 121.223 -0.210 0.000 2.017 255 L HA -0.065 4.273 4.340 -0.004 0.000 0.208 255 L C 2.533 179.417 176.870 0.022 0.000 1.073 255 L CA 1.565 56.369 54.840 -0.060 0.000 0.745 255 L CB -0.437 41.617 42.059 -0.009 0.000 0.894 255 L HN 0.213 nan 8.230 nan 0.000 0.432 256 M N -0.569 119.031 119.600 -0.001 0.000 2.327 256 M HA -0.251 4.227 4.480 -0.004 0.000 0.258 256 M C 1.384 177.710 176.300 0.043 0.000 1.079 256 M CA 1.581 56.890 55.300 0.016 0.000 1.056 256 M CB -1.036 31.563 32.600 -0.002 0.000 1.387 256 M HN 0.377 nan 8.290 nan 0.000 0.423 257 M N -0.289 119.369 119.600 0.097 0.000 3.533 257 M HA 0.157 4.635 4.480 -0.004 0.000 0.217 257 M C 1.480 177.877 176.300 0.163 0.000 1.269 257 M CA -0.306 55.065 55.300 0.119 0.000 1.435 257 M CB -0.433 32.259 32.600 0.155 0.000 1.105 257 M HN 0.174 nan 8.290 nan 0.000 0.555 258 G N 0.265 109.124 108.800 0.099 0.000 2.403 258 G HA2 -0.028 3.930 3.960 -0.004 0.000 0.216 258 G HA3 -0.028 3.930 3.960 -0.004 0.000 0.216 258 G C 0.823 175.757 174.900 0.057 0.000 1.154 258 G CA 0.374 45.528 45.100 0.090 0.000 0.784 258 G HN 0.384 nan 8.290 nan 0.000 0.538 277 V N 1.259 121.103 119.914 -0.117 0.000 2.488 277 V HA 0.069 4.187 4.120 -0.004 0.000 0.246 277 V C 2.284 178.275 176.094 -0.171 0.000 1.046 277 V CA 2.269 64.514 62.300 -0.091 0.000 1.053 277 V CB -0.143 31.663 31.823 -0.028 0.000 0.679 277 V HN 0.331 nan 8.190 nan 0.000 0.458 278 A N -0.074 122.575 122.820 -0.284 0.000 1.978 278 A HA -0.171 4.146 4.320 -0.004 0.000 0.220 278 A C 2.108 179.303 177.584 -0.648 0.000 1.170 278 A CA 2.261 53.998 52.037 -0.500 0.000 0.636 278 A CB -0.577 18.008 19.000 -0.691 0.000 0.810 278 A HN 0.613 nan 8.150 nan 0.000 0.448 279 I N -1.744 118.509 120.570 -0.528 0.000 2.406 279 I HA -0.147 4.021 4.170 -0.004 0.000 0.249 279 I C 2.718 178.772 176.117 -0.105 0.000 1.122 279 I CA 0.661 61.761 61.300 -0.334 0.000 1.431 279 I CB -0.292 37.569 38.000 -0.231 0.000 1.087 279 I HN 0.282 nan 8.210 nan 0.000 0.424 280 R N 0.831 121.271 120.500 -0.099 0.000 2.096 280 R HA -0.177 4.161 4.340 -0.004 0.000 0.240 280 R C 2.299 178.584 176.300 -0.026 0.000 1.139 280 R CA 1.650 57.726 56.100 -0.041 0.000 0.952 280 R CB -0.305 29.974 30.300 -0.035 0.000 0.854 280 R HN 0.343 nan 8.270 nan 0.000 0.436 281 I N -0.377 120.161 120.570 -0.053 0.000 2.202 281 I HA -0.285 3.883 4.170 -0.004 0.000 0.242 281 I C 2.192 178.293 176.117 -0.026 0.000 1.091 281 I CA 1.049 62.328 61.300 -0.035 0.000 1.368 281 I CB -0.355 37.606 38.000 -0.066 0.000 1.058 281 I HN 0.105 nan 8.210 nan 0.000 0.410 282 F N 2.112 121.931 119.950 -0.219 0.000 2.065 282 F HA -0.309 4.216 4.527 -0.003 0.000 0.298 282 F C 2.554 178.310 175.800 -0.074 0.000 1.112 282 F CA 1.895 59.758 58.000 -0.228 0.000 1.212 282 F CB -0.370 38.518 39.000 -0.187 0.000 0.975 282 F HN 0.087 nan 8.300 nan 0.000 0.476 283 Q N -0.471 119.397 119.800 0.114 0.000 2.515 283 Q HA 0.014 4.352 4.340 -0.004 0.000 0.212 283 Q C 2.208 178.243 176.000 0.058 0.000 0.970 283 Q CA 0.590 56.443 55.803 0.084 0.000 0.941 283 Q CB -0.406 28.431 28.738 0.166 0.000 0.998 283 Q HN 0.598 nan 8.270 nan 0.000 0.518 284 G N -0.092 108.715 108.800 0.013 0.000 2.511 284 G HA2 -0.147 3.811 3.960 -0.004 0.000 0.217 284 G HA3 -0.147 3.811 3.960 -0.004 0.000 0.217 284 G C 1.297 176.232 174.900 0.058 0.000 1.133 284 G CA 0.262 45.378 45.100 0.026 0.000 0.792 284 G HN 0.329 nan 8.290 nan 0.000 0.539 285 C N -0.161 119.127 119.300 -0.020 0.000 2.576 285 C HA 0.048 4.506 4.460 -0.004 0.000 0.281 285 C C 2.782 177.762 174.990 -0.017 0.000 1.292 285 C CA 0.681 59.686 59.018 -0.023 0.000 1.697 285 C CB -0.790 26.902 27.740 -0.079 0.000 2.109 285 C HN 0.482 nan 8.230 nan 0.000 0.497 286 Q N -0.302 119.442 119.800 -0.093 0.000 2.197 286 Q HA -0.306 4.031 4.340 -0.004 0.000 0.211 286 Q C 1.889 177.888 176.000 -0.002 0.000 0.993 286 Q CA 2.122 57.902 55.803 -0.038 0.000 0.883 286 Q CB -0.415 28.324 28.738 0.001 0.000 0.916 286 Q HN 0.787 nan 8.270 nan 0.000 0.418 287 F N 0.944 120.868 119.950 -0.044 0.000 2.102 287 F HA -0.201 4.327 4.527 0.003 0.000 0.298 287 F C 2.369 178.133 175.800 -0.060 0.000 1.105 287 F CA 1.264 59.248 58.000 -0.026 0.000 1.239 287 F CB 0.064 39.067 39.000 0.006 0.000 0.991 287 F HN -0.084 nan 8.300 nan 0.000 0.474 288 R N 0.503 121.105 120.500 0.171 0.000 2.103 288 R HA -0.173 4.165 4.340 -0.004 0.000 0.234 288 R C 2.375 178.620 176.300 -0.091 0.000 1.132 288 R CA 1.679 57.820 56.100 0.069 0.000 0.925 288 R CB -1.370 28.968 30.300 0.064 0.000 0.842 288 R HN 0.297 nan 8.270 nan 0.000 0.430 289 S N 0.687 116.317 115.700 -0.117 0.000 2.407 289 S HA -0.216 4.252 4.470 -0.004 0.000 0.244 289 S C 2.189 176.644 174.600 -0.242 0.000 1.077 289 S CA 2.036 60.122 58.200 -0.191 0.000 1.159 289 S CB -0.735 62.348 63.200 -0.196 0.000 1.045 289 S HN 0.134 nan 8.310 nan 0.000 0.438 290 V N 2.035 121.752 119.914 -0.328 0.000 2.250 290 V HA -0.299 3.819 4.120 -0.004 0.000 0.253 290 V C 2.425 178.339 176.094 -0.301 0.000 1.065 290 V CA 2.274 64.323 62.300 -0.418 0.000 1.039 290 V CB -0.810 30.593 31.823 -0.699 0.000 0.647 290 V HN 0.564 nan 8.190 nan 0.000 0.446 291 E N -0.006 120.029 120.200 -0.275 0.000 2.077 291 E HA -0.206 4.142 4.350 -0.004 0.000 0.193 291 E C 2.314 178.859 176.600 -0.093 0.000 0.989 291 E CA 1.321 57.626 56.400 -0.158 0.000 0.800 291 E CB -0.375 29.273 29.700 -0.087 0.000 0.746 291 E HN 0.634 nan 8.360 nan 0.000 0.452 292 A N 1.315 124.078 122.820 -0.095 0.000 1.877 292 A HA -0.139 4.179 4.320 -0.004 0.000 0.216 292 A C 2.575 180.127 177.584 -0.053 0.000 1.186 292 A CA 1.180 53.182 52.037 -0.058 0.000 0.620 292 A CB -0.791 18.141 19.000 -0.113 0.000 0.822 292 A HN 0.114 nan 8.150 nan 0.000 0.443 293 V N 0.210 120.052 119.914 -0.120 0.000 2.324 293 V HA -0.377 3.741 4.120 -0.004 0.000 0.250 293 V C 2.644 178.700 176.094 -0.064 0.000 1.060 293 V CA 2.431 64.664 62.300 -0.112 0.000 1.042 293 V CB -0.977 30.749 31.823 -0.162 0.000 0.650 293 V HN 0.671 nan 8.190 nan 0.000 0.450 294 Q N -0.646 119.111 119.800 -0.071 0.000 2.170 294 Q HA -0.217 4.121 4.340 -0.004 0.000 0.203 294 Q C 2.247 178.230 176.000 -0.027 0.000 0.976 294 Q CA 1.653 57.426 55.803 -0.049 0.000 0.858 294 Q CB -0.129 28.573 28.738 -0.060 0.000 0.907 294 Q HN 0.731 nan 8.270 nan 0.000 0.433 295 E N 0.571 120.769 120.200 -0.004 0.000 2.051 295 E HA -0.115 4.233 4.350 -0.004 0.000 0.189 295 E C 2.045 178.662 176.600 0.027 0.000 0.979 295 E CA 0.751 57.148 56.400 -0.005 0.000 0.803 295 E CB -0.044 29.717 29.700 0.101 0.000 0.761 295 E HN 0.324 nan 8.360 nan 0.000 0.451 296 I N 1.305 121.972 120.570 0.162 0.000 2.163 296 I HA -0.295 3.873 4.170 -0.004 0.000 0.243 296 I C 2.522 178.701 176.117 0.103 0.000 1.085 296 I CA 1.186 62.614 61.300 0.213 0.000 1.347 296 I CB -0.725 37.345 38.000 0.116 0.000 1.044 296 I HN 0.107 nan 8.210 nan 0.000 0.408 297 T N 0.131 114.706 114.554 0.036 0.000 2.620 297 T HA -0.299 4.049 4.350 -0.004 0.000 0.267 297 T C 1.846 176.555 174.700 0.016 0.000 1.044 297 T CA 2.237 64.350 62.100 0.021 0.000 1.161 297 T CB -0.288 68.588 68.868 0.015 0.000 0.862 297 T HN 0.316 nan 8.240 nan 0.000 0.438 298 E N -0.152 120.046 120.200 -0.003 0.000 2.150 298 E HA -0.099 4.249 4.350 -0.004 0.000 0.193 298 E C 1.780 178.365 176.600 -0.026 0.000 0.985 298 E CA 0.875 57.263 56.400 -0.020 0.000 0.814 298 E CB -0.453 29.216 29.700 -0.051 0.000 0.752 298 E HN 0.656 nan 8.360 nan 0.000 0.466 299 Y N 0.401 120.600 120.300 -0.168 0.000 2.145 299 Y HA -0.126 4.421 4.550 -0.005 0.000 0.286 299 Y C 2.074 177.903 175.900 -0.118 0.000 1.145 299 Y CA 1.783 59.778 58.100 -0.174 0.000 1.148 299 Y CB -0.896 37.453 38.460 -0.185 0.000 0.981 299 Y HN 0.088 nan 8.280 nan 0.000 0.507 300 A N 0.398 123.066 122.820 -0.254 0.000 1.908 300 A HA -0.237 4.081 4.320 -0.004 0.000 0.218 300 A C 2.018 179.430 177.584 -0.286 0.000 1.181 300 A CA 1.847 53.564 52.037 -0.533 0.000 0.627 300 A CB -0.721 17.866 19.000 -0.688 0.000 0.818 300 A HN 0.460 nan 8.150 nan 0.000 0.445 301 K N 0.500 120.888 120.400 -0.019 0.000 2.743 301 K HA 0.032 4.350 4.320 -0.004 0.000 0.219 301 K C 0.455 177.077 176.600 0.037 0.000 1.003 301 K CA 0.624 56.983 56.287 0.120 0.000 1.156 301 K CB -0.191 32.368 32.500 0.099 0.000 0.932 301 K HN 0.629 nan 8.250 nan 0.000 0.490 302 S N -1.113 114.557 115.700 -0.050 0.000 2.998 302 S HA 0.207 4.675 4.470 -0.004 0.000 0.256 302 S C -0.071 174.535 174.600 0.011 0.000 0.970 302 S CA -0.717 57.484 58.200 0.001 0.000 1.238 302 S CB 0.297 63.468 63.200 -0.048 0.000 1.170 302 S HN -0.047 nan 8.310 nan 0.000 0.663 303 I N 2.944 123.469 120.570 -0.074 0.000 2.297 303 I HA 0.416 4.584 4.170 -0.004 0.000 0.291 303 I C -2.685 173.457 176.117 0.042 0.000 1.033 303 I CA -2.765 58.497 61.300 -0.062 0.000 1.253 303 I CB -0.013 37.885 38.000 -0.171 0.000 1.396 303 I HN -0.109 nan 8.210 nan 0.000 0.476 304 P HA -0.029 nan 4.420 nan 0.000 0.198 304 P C 0.953 178.272 177.300 0.032 0.000 0.910 304 P CA 1.060 64.157 63.100 -0.004 0.000 1.202 304 P CB -0.232 31.445 31.700 -0.040 0.000 1.231 305 G N 1.615 110.444 108.800 0.049 0.000 2.184 305 G HA2 -0.315 3.643 3.960 -0.004 0.000 0.206 305 G HA3 -0.315 3.643 3.960 -0.004 0.000 0.206 305 G C 0.559 175.508 174.900 0.080 0.000 0.995 305 G CA -0.168 44.960 45.100 0.047 0.000 0.651 305 G HN 0.451 nan 8.290 nan 0.000 0.511 306 F N 1.768 121.700 119.950 -0.030 0.000 2.325 306 F HA 0.135 4.658 4.527 -0.007 0.000 0.299 306 F C 2.501 178.287 175.800 -0.024 0.000 1.090 306 F CA 2.265 60.248 58.000 -0.029 0.000 1.392 306 F CB 0.025 38.999 39.000 -0.043 0.000 1.053 306 F HN 0.421 nan 8.300 nan 0.000 0.521 307 V N -1.056 118.817 119.914 -0.068 0.000 2.488 307 V HA -0.162 3.956 4.120 -0.004 0.000 0.246 307 V C 1.802 177.805 176.094 -0.152 0.000 1.046 307 V CA 2.126 64.343 62.300 -0.139 0.000 1.053 307 V CB -1.122 30.684 31.823 -0.029 0.000 0.679 307 V HN 0.227 nan 8.190 nan 0.000 0.458 308 N N 0.976 119.618 118.700 -0.097 0.000 2.364 308 N HA 0.061 4.799 4.740 -0.004 0.000 0.183 308 N C 0.611 176.060 175.510 -0.102 0.000 1.022 308 N CA 0.809 53.812 53.050 -0.078 0.000 0.883 308 N CB -0.692 37.769 38.487 -0.044 0.000 0.965 308 N HN 0.536 nan 8.380 nan 0.000 0.438 309 L N 0.445 121.573 121.223 -0.158 0.000 2.473 309 L HA 0.044 4.382 4.340 -0.004 0.000 0.268 309 L C 0.489 177.263 176.870 -0.160 0.000 1.215 309 L CA -0.489 54.256 54.840 -0.158 0.000 0.823 309 L CB 0.172 42.096 42.059 -0.224 0.000 1.099 309 L HN 0.084 nan 8.230 nan 0.000 0.483 310 D N 1.048 121.380 120.400 -0.113 0.000 2.412 310 D HA -0.014 4.624 4.640 -0.004 0.000 0.257 310 D C 0.912 177.143 176.300 -0.114 0.000 1.217 310 D CA -0.185 53.760 54.000 -0.093 0.000 0.897 310 D CB 0.840 41.604 40.800 -0.060 0.000 1.132 310 D HN 0.384 nan 8.370 nan 0.000 0.493 311 L N 4.682 125.840 121.223 -0.110 0.000 2.230 311 L HA -0.306 4.032 4.340 -0.004 0.000 0.217 311 L C 1.292 178.115 176.870 -0.079 0.000 1.090 311 L CA 1.922 56.697 54.840 -0.107 0.000 0.771 311 L CB -0.639 41.377 42.059 -0.073 0.000 0.892 311 L HN 0.491 nan 8.230 nan 0.000 0.438 312 N N -0.645 118.021 118.700 -0.056 0.000 2.331 312 N HA -0.113 4.625 4.740 -0.004 0.000 0.180 312 N C 1.293 176.790 175.510 -0.020 0.000 1.019 312 N CA 1.355 54.387 53.050 -0.030 0.000 0.881 312 N CB -0.135 38.339 38.487 -0.020 0.000 0.972 312 N HN 0.475 nan 8.380 nan 0.000 0.435 313 D N -0.440 119.935 120.400 -0.040 0.000 2.327 313 D HA -0.034 4.604 4.640 -0.004 0.000 0.205 313 D C 1.556 177.840 176.300 -0.027 0.000 0.989 313 D CA 0.262 54.252 54.000 -0.018 0.000 0.873 313 D CB 0.017 40.802 40.800 -0.025 0.000 0.955 313 D HN 0.314 nan 8.370 nan 0.000 0.515 314 Q N 0.624 120.343 119.800 -0.135 0.000 2.084 314 Q HA -0.111 4.227 4.340 -0.004 0.000 0.202 314 Q C 2.115 178.131 176.000 0.027 0.000 0.978 314 Q CA 1.074 56.712 55.803 -0.274 0.000 0.844 314 Q CB 0.247 28.738 28.738 -0.413 0.000 0.898 314 Q HN 0.040 nan 8.270 nan 0.000 0.426 315 V N -0.185 119.735 119.914 0.010 0.000 2.379 315 V HA -0.230 3.887 4.120 -0.004 0.000 0.245 315 V C 2.190 178.329 176.094 0.076 0.000 1.044 315 V CA 2.063 64.390 62.300 0.046 0.000 1.036 315 V CB -0.692 31.138 31.823 0.011 0.000 0.664 315 V HN 0.451 nan 8.190 nan 0.000 0.453 316 T N 0.567 115.171 114.554 0.083 0.000 2.652 316 T HA -0.173 4.175 4.350 -0.004 0.000 0.267 316 T C 1.896 176.721 174.700 0.208 0.000 1.039 316 T CA 1.590 63.778 62.100 0.146 0.000 1.153 316 T CB -0.378 68.563 68.868 0.122 0.000 0.863 316 T HN 0.266 nan 8.240 nan 0.000 0.428 317 L N 0.480 121.815 121.223 0.187 0.000 2.263 317 L HA -0.097 4.240 4.340 -0.004 0.000 0.216 317 L C 2.245 179.225 176.870 0.183 0.000 1.111 317 L CA 1.076 56.043 54.840 0.212 0.000 0.773 317 L CB -0.517 41.724 42.059 0.303 0.000 0.906 317 L HN 0.329 nan 8.230 nan 0.000 0.439 318 L N -0.957 120.364 121.223 0.163 0.000 2.298 318 L HA -0.093 4.245 4.340 -0.004 0.000 0.209 318 L C 2.505 179.372 176.870 -0.006 0.000 1.084 318 L CA 0.435 55.321 54.840 0.076 0.000 0.816 318 L CB -0.368 41.741 42.059 0.084 0.000 0.967 318 L HN 0.185 nan 8.230 nan 0.000 0.460 319 K N 0.470 120.847 120.400 -0.038 0.000 2.074 319 K HA -0.222 4.096 4.320 -0.004 0.000 0.209 319 K C 1.912 178.273 176.600 -0.397 0.000 1.048 319 K CA 1.920 58.063 56.287 -0.239 0.000 0.926 319 K CB -0.130 32.181 32.500 -0.315 0.000 0.713 319 K HN 0.190 nan 8.250 nan 0.000 0.444 320 Y N -0.668 119.571 120.300 -0.102 0.000 2.490 320 Y HA 0.162 4.710 4.550 -0.003 0.000 0.285 320 Y C 2.215 178.071 175.900 -0.073 0.000 1.117 320 Y CA 0.573 58.596 58.100 -0.128 0.000 1.262 320 Y CB -0.034 38.368 38.460 -0.097 0.000 1.043 320 Y HN 0.185 nan 8.280 nan 0.000 0.553 321 G N 0.478 109.318 108.800 0.066 0.000 2.496 321 G HA2 -0.215 3.743 3.960 -0.004 0.000 0.214 321 G HA3 -0.215 3.743 3.960 -0.004 0.000 0.214 321 G C 1.795 176.659 174.900 -0.061 0.000 1.234 321 G CA 1.710 46.814 45.100 0.006 0.000 0.807 321 G HN 0.267 nan 8.290 nan 0.000 0.543 322 V N 0.041 119.901 119.914 -0.090 0.000 2.251 322 V HA -0.445 3.673 4.120 -0.004 0.000 0.259 322 V C 2.357 178.252 176.094 -0.332 0.000 1.078 322 V CA 3.065 65.251 62.300 -0.189 0.000 1.072 322 V CB -1.596 30.096 31.823 -0.218 0.000 0.681 322 V HN 0.462 nan 8.190 nan 0.000 0.454 323 H N 0.898 119.756 119.070 -0.355 0.000 2.265 323 H HA -0.105 4.447 4.556 -0.005 0.000 0.295 323 H C 2.399 177.366 175.328 -0.602 0.000 1.084 323 H CA 2.367 58.103 56.048 -0.520 0.000 1.261 323 H CB -0.486 29.040 29.762 -0.394 0.000 1.360 323 H HN 0.610 nan 8.280 nan 0.000 0.487 324 E N -0.167 119.906 120.200 -0.211 0.000 2.085 324 E HA -0.151 4.197 4.350 -0.004 0.000 0.194 324 E C 2.040 178.499 176.600 -0.234 0.000 0.994 324 E CA 1.019 57.306 56.400 -0.187 0.000 0.801 324 E CB -0.004 29.653 29.700 -0.071 0.000 0.743 324 E HN 0.321 nan 8.360 nan 0.000 0.453 325 I N 0.927 121.365 120.570 -0.220 0.000 2.208 325 I HA -0.261 3.907 4.170 -0.004 0.000 0.245 325 I C 2.184 178.152 176.117 -0.248 0.000 1.097 325 I CA 1.097 62.286 61.300 -0.185 0.000 1.363 325 I CB -0.883 37.033 38.000 -0.139 0.000 1.051 325 I HN 0.186 nan 8.210 nan 0.000 0.413 326 I N 0.409 120.750 120.570 -0.381 0.000 2.099 326 I HA -0.310 3.858 4.170 -0.004 0.000 0.239 326 I C 2.727 178.709 176.117 -0.225 0.000 1.066 326 I CA 1.760 62.831 61.300 -0.383 0.000 1.324 326 I CB -1.554 36.107 38.000 -0.565 0.000 1.037 326 I HN 0.164 nan 8.210 nan 0.000 0.401 327 Y N 1.378 121.540 120.300 -0.229 0.000 2.333 327 Y HA -0.157 4.393 4.550 -0.001 0.000 0.290 327 Y C 2.822 178.604 175.900 -0.195 0.000 1.144 327 Y CA 1.042 58.977 58.100 -0.275 0.000 1.228 327 Y CB -1.996 36.184 38.460 -0.467 0.000 0.985 327 Y HN 0.200 nan 8.280 nan 0.000 0.542 328 T N 0.178 114.692 114.554 -0.066 0.000 2.701 328 T HA -0.173 4.175 4.350 -0.004 0.000 0.263 328 T C 2.103 176.811 174.700 0.014 0.000 1.040 328 T CA 1.592 63.638 62.100 -0.090 0.000 1.147 328 T CB -0.290 68.561 68.868 -0.028 0.000 0.865 328 T HN 0.182 nan 8.240 nan 0.000 0.426 329 M N 0.658 120.234 119.600 -0.040 0.000 2.065 329 M HA -0.043 4.435 4.480 -0.004 0.000 0.259 329 M C 2.506 178.800 176.300 -0.010 0.000 1.071 329 M CA 1.384 56.641 55.300 -0.072 0.000 1.109 329 M CB -1.242 31.200 32.600 -0.263 0.000 1.313 329 M HN 0.197 nan 8.290 nan 0.000 0.408 330 L N 1.093 122.304 121.223 -0.020 0.000 2.137 330 L HA -0.179 4.159 4.340 -0.004 0.000 0.213 330 L C 2.465 179.371 176.870 0.060 0.000 1.085 330 L CA 2.136 56.981 54.840 0.009 0.000 0.760 330 L CB -0.688 41.381 42.059 0.017 0.000 0.893 330 L HN 0.282 nan 8.230 nan 0.000 0.434 331 A N -2.121 120.776 122.820 0.128 0.000 2.119 331 A HA -0.085 4.233 4.320 -0.004 0.000 0.217 331 A C 2.343 180.044 177.584 0.195 0.000 1.153 331 A CA 1.398 53.554 52.037 0.197 0.000 0.692 331 A CB -0.585 18.610 19.000 0.326 0.000 0.799 331 A HN 0.517 nan 8.150 nan 0.000 0.458 332 S N 0.015 115.817 115.700 0.170 0.000 2.368 332 S HA -0.078 4.389 4.470 -0.004 0.000 0.224 332 S C 1.032 175.712 174.600 0.132 0.000 1.029 332 S CA 1.320 59.613 58.200 0.155 0.000 0.988 332 S CB -0.382 62.901 63.200 0.138 0.000 0.838 332 S HN 0.624 nan 8.310 nan 0.000 0.462 333 L N 0.420 121.714 121.223 0.118 0.000 3.035 333 L HA 0.532 4.870 4.340 -0.004 0.000 0.232 333 L C -0.238 176.732 176.870 0.166 0.000 1.341 333 L CA 0.056 54.976 54.840 0.133 0.000 1.177 333 L CB -0.725 41.399 42.059 0.109 0.000 1.555 333 L HN 0.100 nan 8.230 nan 0.000 0.473 334 M N 1.568 121.280 119.600 0.187 0.000 2.421 334 M HA 0.418 4.896 4.480 -0.004 0.000 0.287 334 M C -1.279 175.163 176.300 0.235 0.000 1.183 334 M CA -0.470 54.978 55.300 0.247 0.000 0.916 334 M CB 2.894 35.639 32.600 0.242 0.000 1.701 334 M HN 0.467 nan 8.290 nan 0.000 0.470 335 N N 0.415 119.269 118.700 0.257 0.000 2.761 335 N HA 0.434 5.172 4.740 -0.004 0.000 0.283 335 N C -0.103 175.471 175.510 0.107 0.000 1.377 335 N CA -0.971 52.178 53.050 0.166 0.000 0.791 335 N CB 0.900 39.477 38.487 0.150 0.000 1.540 335 N HN 0.547 nan 8.380 nan 0.000 0.539 336 K N -0.903 119.521 120.400 0.039 0.000 2.113 336 K HA -0.142 4.176 4.320 -0.004 0.000 0.208 336 K C 0.212 176.719 176.600 -0.154 0.000 1.047 336 K CA 1.908 58.169 56.287 -0.045 0.000 0.928 336 K CB -0.159 32.321 32.500 -0.034 0.000 0.716 336 K HN 0.525 nan 8.250 nan 0.000 0.446 337 D N -0.979 119.391 120.400 -0.049 0.000 2.213 337 D HA 0.021 4.659 4.640 -0.004 0.000 0.205 337 D C 1.080 177.339 176.300 -0.068 0.000 0.961 337 D CA 1.202 55.179 54.000 -0.039 0.000 0.853 337 D CB 0.634 41.491 40.800 0.095 0.000 0.967 337 D HN 0.411 nan 8.370 nan 0.000 0.496 338 G N -0.269 108.566 108.800 0.058 0.000 2.896 338 G HA2 0.475 4.433 3.960 -0.004 0.000 0.247 338 G HA3 0.475 4.433 3.960 -0.004 0.000 0.247 338 G C -1.659 173.214 174.900 -0.044 0.000 1.187 338 G CA -0.055 44.881 45.100 -0.273 0.000 0.837 338 G HN 0.127 nan 8.290 nan 0.000 0.559 339 V N -0.133 119.485 119.914 -0.494 0.000 2.882 339 V HA 0.536 4.654 4.120 -0.004 0.000 0.295 339 V C -1.323 174.694 176.094 -0.128 0.000 1.273 339 V CA -0.798 61.455 62.300 -0.079 0.000 0.949 339 V CB 1.446 33.278 31.823 0.015 0.000 1.071 339 V HN 0.755 nan 8.190 nan 0.000 0.432 340 L N 6.940 128.244 121.223 0.135 0.000 2.426 340 L HA 0.558 4.895 4.340 -0.004 0.000 0.271 340 L C 0.341 177.271 176.870 0.100 0.000 1.169 340 L CA 0.077 55.036 54.840 0.198 0.000 0.836 340 L CB 1.007 43.192 42.059 0.210 0.000 1.112 340 L HN 0.776 nan 8.230 nan 0.000 0.465 341 I N -1.912 118.722 120.570 0.106 0.000 3.322 341 I HA 0.466 4.634 4.170 -0.004 0.000 0.313 341 I C 0.252 176.422 176.117 0.088 0.000 1.129 341 I CA -1.038 60.307 61.300 0.076 0.000 0.963 341 I CB 1.914 39.950 38.000 0.059 0.000 1.273 341 I HN 0.489 nan 8.210 nan 0.000 0.473 342 S N 2.477 118.221 115.700 0.074 0.000 3.280 342 S HA -0.169 4.299 4.470 -0.004 0.000 0.349 342 S C 0.435 175.080 174.600 0.076 0.000 0.936 342 S CA 1.356 59.599 58.200 0.072 0.000 1.301 342 S CB -1.305 61.936 63.200 0.069 0.000 0.907 342 S HN 0.880 nan 8.310 nan 0.000 0.516 343 E N -2.541 117.703 120.200 0.072 0.000 4.153 343 E HA -0.243 4.105 4.350 -0.004 0.000 0.376 343 E C 0.890 177.536 176.600 0.077 0.000 0.598 343 E CA 1.748 58.190 56.400 0.069 0.000 1.343 343 E CB -1.809 27.929 29.700 0.063 0.000 1.793 343 E HN 1.804 nan 8.360 nan 0.000 0.392 344 G N 0.597 109.453 108.800 0.093 0.000 2.138 344 G HA2 -0.316 3.642 3.960 -0.004 0.000 0.193 344 G HA3 -0.316 3.642 3.960 -0.004 0.000 0.193 344 G C 0.551 175.522 174.900 0.119 0.000 0.998 344 G CA 0.504 45.670 45.100 0.111 0.000 0.668 344 G HN 0.298 nan 8.290 nan 0.000 0.516 345 Q N -0.428 119.444 119.800 0.120 0.000 2.282 345 Q HA 0.420 4.758 4.340 -0.004 0.000 0.206 345 Q C 1.204 177.310 176.000 0.176 0.000 0.878 345 Q CA 0.514 56.395 55.803 0.129 0.000 0.944 345 Q CB 1.224 30.026 28.738 0.106 0.000 1.100 345 Q HN 0.611 nan 8.270 nan 0.000 0.509 346 G N 0.228 109.137 108.800 0.182 0.000 2.563 346 G HA2 0.566 4.524 3.960 -0.004 0.000 0.302 346 G HA3 0.566 4.524 3.960 -0.004 0.000 0.302 346 G C -2.040 173.007 174.900 0.245 0.000 1.301 346 G CA -0.450 44.771 45.100 0.202 0.000 0.965 346 G HN 0.086 nan 8.290 nan 0.000 0.480 347 F N 1.652 121.623 119.950 0.034 0.000 2.562 347 F HA 0.683 5.208 4.527 -0.003 0.000 0.319 347 F C -0.386 175.441 175.800 0.044 0.000 1.154 347 F CA -1.126 56.903 58.000 0.049 0.000 0.931 347 F CB 2.280 41.306 39.000 0.044 0.000 1.198 347 F HN 0.445 nan 8.300 nan 0.000 0.444 348 M N 6.630 125.983 119.600 -0.410 0.000 2.205 348 M HA 0.350 4.828 4.480 -0.004 0.000 0.344 348 M C -0.361 175.751 176.300 -0.314 0.000 1.085 348 M CA -0.526 54.667 55.300 -0.178 0.000 1.001 348 M CB 1.333 33.939 32.600 0.010 0.000 1.626 348 M HN 0.787 nan 8.290 nan 0.000 0.442 349 T N 1.384 115.920 114.554 -0.030 0.000 2.930 349 T HA 0.167 4.515 4.350 -0.004 0.000 0.306 349 T C 0.952 175.678 174.700 0.044 0.000 1.045 349 T CA -0.369 61.743 62.100 0.019 0.000 1.134 349 T CB 1.054 70.027 68.868 0.175 0.000 0.961 349 T HN 0.962 nan 8.240 nan 0.000 0.545 350 R N 1.157 121.584 120.500 -0.121 0.000 2.081 350 R HA -0.121 4.217 4.340 -0.004 0.000 0.235 350 R C 2.032 178.311 176.300 -0.035 0.000 1.131 350 R CA 1.357 57.309 56.100 -0.247 0.000 0.960 350 R CB -0.198 29.622 30.300 -0.801 0.000 0.856 350 R HN 0.742 nan 8.270 nan 0.000 0.436 351 E N 0.271 120.473 120.200 0.004 0.000 2.118 351 E HA -0.237 4.111 4.350 -0.004 0.000 0.195 351 E C 1.609 178.317 176.600 0.180 0.000 0.992 351 E CA 1.297 57.740 56.400 0.073 0.000 0.804 351 E CB -0.416 29.329 29.700 0.075 0.000 0.741 351 E HN 0.441 nan 8.360 nan 0.000 0.458 352 F N 0.997 120.972 119.950 0.042 0.000 2.014 352 F HA -0.268 4.257 4.527 -0.004 0.000 0.295 352 F C 2.185 178.028 175.800 0.071 0.000 1.145 352 F CA 1.005 59.037 58.000 0.054 0.000 1.178 352 F CB -0.158 38.865 39.000 0.038 0.000 0.972 352 F HN -0.048 nan 8.300 nan 0.000 0.476 353 L N 1.165 122.303 121.223 -0.142 0.000 2.013 353 L HA -0.311 4.027 4.340 -0.004 0.000 0.212 353 L C 2.394 179.251 176.870 -0.021 0.000 1.073 353 L CA 2.147 56.870 54.840 -0.195 0.000 0.753 353 L CB -1.095 40.983 42.059 0.032 0.000 0.890 353 L HN 0.159 nan 8.230 nan 0.000 0.432 354 K N 0.230 120.665 120.400 0.058 0.000 2.228 354 K HA -0.169 4.149 4.320 -0.004 0.000 0.205 354 K C 0.592 177.231 176.600 0.064 0.000 1.045 354 K CA 1.383 57.713 56.287 0.072 0.000 0.931 354 K CB -0.098 32.437 32.500 0.058 0.000 0.727 354 K HN 0.477 nan 8.250 nan 0.000 0.458 355 S N 0.828 116.559 115.700 0.052 0.000 2.457 355 S HA 0.440 4.908 4.470 -0.004 0.000 0.216 355 S C -0.340 174.280 174.600 0.034 0.000 1.392 355 S CA -0.999 57.240 58.200 0.065 0.000 1.102 355 S CB 0.268 63.532 63.200 0.107 0.000 1.114 355 S HN 0.137 nan 8.310 nan 0.000 0.484 356 L N 0.563 121.812 121.223 0.042 0.000 2.301 356 L HA 0.586 4.924 4.340 -0.004 0.000 0.249 356 L C 0.500 177.422 176.870 0.086 0.000 1.069 356 L CA -1.550 53.307 54.840 0.028 0.000 0.865 356 L CB 1.280 43.340 42.059 0.001 0.000 1.467 356 L HN 0.394 nan 8.230 nan 0.000 0.419 357 R N 0.789 121.336 120.500 0.079 0.000 2.500 357 R HA -0.114 4.224 4.340 -0.004 0.000 0.281 357 R C 0.983 177.401 176.300 0.196 0.000 0.953 357 R CA 0.513 56.691 56.100 0.130 0.000 1.108 357 R CB 0.284 30.658 30.300 0.122 0.000 0.901 357 R HN 0.471 nan 8.270 nan 0.000 0.410 358 K N 3.687 124.154 120.400 0.112 0.000 2.163 358 K HA -0.282 4.036 4.320 -0.004 0.000 0.222 358 K C -0.693 175.935 176.600 0.047 0.000 0.990 358 K CA 2.491 58.820 56.287 0.070 0.000 0.959 358 K CB -1.041 31.482 32.500 0.039 0.000 0.882 358 K HN 0.633 nan 8.250 nan 0.000 0.472 359 P HA -0.095 nan 4.420 nan 0.000 0.221 359 P C 1.046 178.210 177.300 -0.228 0.000 1.155 359 P CA 1.316 64.302 63.100 -0.190 0.000 0.812 359 P CB -0.025 31.428 31.700 -0.411 0.000 0.801 360 F N 0.095 120.032 119.950 -0.021 0.000 2.811 360 F HA 0.229 4.753 4.527 -0.005 0.000 0.301 360 F C 2.423 178.303 175.800 0.133 0.000 1.151 360 F CA 0.417 58.437 58.000 0.035 0.000 1.412 360 F CB -0.852 38.109 39.000 -0.065 0.000 1.113 360 F HN -0.056 nan 8.300 nan 0.000 0.579 361 G N -0.039 108.898 108.800 0.228 0.000 2.414 361 G HA2 -0.256 3.702 3.960 -0.004 0.000 0.215 361 G HA3 -0.256 3.702 3.960 -0.004 0.000 0.215 361 G C 1.547 176.539 174.900 0.154 0.000 1.188 361 G CA 0.903 46.102 45.100 0.165 0.000 0.783 361 G HN 0.321 nan 8.290 nan 0.000 0.537 362 D N 0.150 120.620 120.400 0.117 0.000 2.264 362 D HA -0.132 4.506 4.640 -0.004 0.000 0.208 362 D C 2.102 178.442 176.300 0.066 0.000 0.966 362 D CA 0.436 54.481 54.000 0.074 0.000 0.864 362 D CB -0.163 40.664 40.800 0.045 0.000 0.933 362 D HN 0.216 nan 8.370 nan 0.000 0.499 363 F N 1.150 121.113 119.950 0.021 0.000 2.158 363 F HA -0.281 4.243 4.527 -0.004 0.000 0.299 363 F C 1.851 177.617 175.800 -0.057 0.000 1.060 363 F CA 1.687 59.700 58.000 0.022 0.000 1.284 363 F CB -0.315 38.772 39.000 0.145 0.000 1.035 363 F HN 0.017 nan 8.300 nan 0.000 0.496 364 M N -0.593 118.614 119.600 -0.656 0.000 2.379 364 M HA 0.132 4.610 4.480 -0.004 0.000 0.265 364 M C 1.694 177.779 176.300 -0.357 0.000 1.095 364 M CA 0.439 55.248 55.300 -0.818 0.000 1.075 364 M CB -0.208 32.004 32.600 -0.647 0.000 1.443 364 M HN -0.092 nan 8.290 nan 0.000 0.519 365 E N 0.917 121.054 120.200 -0.105 0.000 2.065 365 E HA -0.176 4.172 4.350 -0.004 0.000 0.201 365 E C -0.744 175.847 176.600 -0.016 0.000 1.016 365 E CA 1.861 58.283 56.400 0.037 0.000 0.818 365 E CB -1.998 27.723 29.700 0.034 0.000 0.749 365 E HN 0.335 nan 8.360 nan 0.000 0.453 366 P HA -0.162 nan 4.420 nan 0.000 0.216 366 P C 1.146 178.365 177.300 -0.135 0.000 1.154 366 P CA 1.766 64.805 63.100 -0.101 0.000 0.865 366 P CB 0.028 31.637 31.700 -0.151 0.000 0.789 367 K N -1.798 118.404 120.400 -0.329 0.000 2.097 367 K HA -0.090 4.228 4.320 -0.004 0.000 0.206 367 K C 1.787 178.284 176.600 -0.172 0.000 1.049 367 K CA 1.372 57.419 56.287 -0.400 0.000 0.933 367 K CB -1.035 31.053 32.500 -0.688 0.000 0.717 367 K HN 0.094 nan 8.250 nan 0.000 0.442 368 F N 0.982 120.876 119.950 -0.093 0.000 2.163 368 F HA -0.079 4.446 4.527 -0.002 0.000 0.297 368 F C 2.346 178.150 175.800 0.006 0.000 1.094 368 F CA 1.091 59.069 58.000 -0.035 0.000 1.290 368 F CB -0.612 38.353 39.000 -0.057 0.000 1.017 368 F HN 0.050 nan 8.300 nan 0.000 0.483 369 E N 0.186 120.503 120.200 0.196 0.000 2.038 369 E HA -0.287 4.061 4.350 -0.004 0.000 0.195 369 E C 2.153 178.827 176.600 0.122 0.000 1.000 369 E CA 1.673 58.147 56.400 0.124 0.000 0.803 369 E CB -0.821 28.931 29.700 0.087 0.000 0.750 369 E HN 0.314 nan 8.360 nan 0.000 0.448 370 F N 0.668 120.623 119.950 0.008 0.000 2.091 370 F HA -0.223 4.302 4.527 -0.002 0.000 0.299 370 F C 2.077 177.924 175.800 0.078 0.000 1.103 370 F CA 2.144 60.155 58.000 0.018 0.000 1.228 370 F CB -0.777 38.193 39.000 -0.050 0.000 0.984 370 F HN 0.112 nan 8.300 nan 0.000 0.477 371 A N -0.154 122.758 122.820 0.154 0.000 1.940 371 A HA -0.146 4.172 4.320 -0.004 0.000 0.219 371 A C 2.336 179.939 177.584 0.031 0.000 1.176 371 A CA 1.914 54.018 52.037 0.112 0.000 0.631 371 A CB -1.439 17.690 19.000 0.216 0.000 0.814 371 A HN 0.337 nan 8.150 nan 0.000 0.446 372 V N -0.451 119.489 119.914 0.044 0.000 2.343 372 V HA -0.235 3.883 4.120 -0.004 0.000 0.247 372 V C 2.578 178.635 176.094 -0.062 0.000 1.051 372 V CA 2.515 64.821 62.300 0.010 0.000 1.036 372 V CB -0.492 31.344 31.823 0.022 0.000 0.654 372 V HN 0.542 nan 8.190 nan 0.000 0.451 373 K N -0.685 119.649 120.400 -0.109 0.000 2.001 373 K HA -0.108 4.210 4.320 -0.004 0.000 0.208 373 K C 1.897 178.372 176.600 -0.208 0.000 1.048 373 K CA 1.504 57.703 56.287 -0.148 0.000 0.932 373 K CB -0.583 31.830 32.500 -0.145 0.000 0.715 373 K HN 0.328 nan 8.250 nan 0.000 0.437 374 F N 1.875 121.515 119.950 -0.517 0.000 2.154 374 F HA -0.249 4.276 4.527 -0.003 0.000 0.301 374 F C 1.536 177.170 175.800 -0.276 0.000 1.087 374 F CA 1.502 59.202 58.000 -0.500 0.000 1.274 374 F CB -0.236 38.318 39.000 -0.743 0.000 1.009 374 F HN 0.139 nan 8.300 nan 0.000 0.485 375 N N 0.369 118.960 118.700 -0.181 0.000 2.309 375 N HA -0.076 4.662 4.740 -0.004 0.000 0.182 375 N C 2.004 177.383 175.510 -0.218 0.000 1.018 375 N CA 1.128 54.071 53.050 -0.178 0.000 0.876 375 N CB -0.731 37.732 38.487 -0.041 0.000 0.972 375 N HN 0.358 nan 8.380 nan 0.000 0.434 376 A N 1.030 123.730 122.820 -0.200 0.000 1.978 376 A HA -0.094 4.224 4.320 -0.004 0.000 0.220 376 A C 2.152 179.594 177.584 -0.236 0.000 1.170 376 A CA 0.921 52.852 52.037 -0.178 0.000 0.636 376 A CB -0.741 18.172 19.000 -0.145 0.000 0.810 376 A HN 0.268 nan 8.150 nan 0.000 0.448 377 L N -0.823 120.192 121.223 -0.347 0.000 2.353 377 L HA -0.121 4.217 4.340 -0.004 0.000 0.220 377 L C 0.103 176.727 176.870 -0.410 0.000 1.133 377 L CA 0.791 55.386 54.840 -0.409 0.000 0.798 377 L CB -0.792 40.931 42.059 -0.559 0.000 0.922 377 L HN 0.508 nan 8.230 nan 0.000 0.445 378 E N 0.788 120.786 120.200 -0.336 0.000 2.240 378 E HA -0.205 4.142 4.350 -0.004 0.000 0.194 378 E C -0.592 175.876 176.600 -0.220 0.000 1.385 378 E CA 0.039 56.301 56.400 -0.230 0.000 0.686 378 E CB -1.762 27.844 29.700 -0.157 0.000 1.125 378 E HN 0.431 nan 8.360 nan 0.000 0.359 379 L N 1.681 122.751 121.223 -0.254 0.000 2.325 379 L HA 0.353 4.690 4.340 -0.004 0.000 0.279 379 L C 0.981 177.826 176.870 -0.041 0.000 1.054 379 L CA -0.981 53.774 54.840 -0.142 0.000 0.804 379 L CB 0.691 42.600 42.059 -0.249 0.000 1.200 379 L HN 0.206 nan 8.230 nan 0.000 0.436 380 D N -0.057 120.344 120.400 0.003 0.000 2.466 380 D HA 0.057 4.695 4.640 -0.004 0.000 0.262 380 D C 0.322 176.589 176.300 -0.054 0.000 1.177 380 D CA -0.572 53.410 54.000 -0.030 0.000 1.035 380 D CB 0.770 41.523 40.800 -0.077 0.000 1.105 380 D HN 0.380 nan 8.370 nan 0.000 0.551 381 D N -0.501 119.865 120.400 -0.057 0.000 2.149 381 D HA -0.202 4.436 4.640 -0.004 0.000 0.198 381 D C 1.798 177.926 176.300 -0.286 0.000 0.990 381 D CA 1.576 55.504 54.000 -0.120 0.000 0.839 381 D CB -0.216 40.647 40.800 0.106 0.000 0.948 381 D HN 0.439 nan 8.370 nan 0.000 0.460 382 S N 0.938 116.429 115.700 -0.348 0.000 2.365 382 S HA -0.198 4.270 4.470 -0.004 0.000 0.225 382 S C 1.447 175.959 174.600 -0.147 0.000 1.039 382 S CA 1.701 59.669 58.200 -0.387 0.000 1.033 382 S CB -0.066 62.856 63.200 -0.462 0.000 0.887 382 S HN 0.103 nan 8.310 nan 0.000 0.447 383 D N 1.090 121.440 120.400 -0.083 0.000 2.162 383 D HA 0.044 4.682 4.640 -0.004 0.000 0.203 383 D C 2.091 178.440 176.300 0.082 0.000 0.967 383 D CA 0.792 54.807 54.000 0.024 0.000 0.840 383 D CB -0.420 40.410 40.800 0.050 0.000 0.972 383 D HN 0.408 nan 8.370 nan 0.000 0.482 384 L N 0.954 122.196 121.223 0.032 0.000 2.083 384 L HA -0.104 4.234 4.340 -0.004 0.000 0.209 384 L C 2.543 179.487 176.870 0.124 0.000 1.083 384 L CA 0.947 55.874 54.840 0.146 0.000 0.752 384 L CB -0.521 41.621 42.059 0.137 0.000 0.899 384 L HN -0.021 nan 8.230 nan 0.000 0.433 385 A N 0.202 122.929 122.820 -0.155 0.000 2.019 385 A HA -0.156 4.162 4.320 -0.004 0.000 0.219 385 A C 2.150 179.886 177.584 0.252 0.000 1.164 385 A CA 1.465 53.467 52.037 -0.059 0.000 0.644 385 A CB -0.456 18.436 19.000 -0.180 0.000 0.805 385 A HN 0.417 nan 8.150 nan 0.000 0.449 386 I N -2.764 117.943 120.570 0.228 0.000 2.628 386 I HA -0.034 4.134 4.170 -0.004 0.000 0.255 386 I C 2.222 178.516 176.117 0.295 0.000 1.119 386 I CA 0.613 62.068 61.300 0.257 0.000 1.448 386 I CB -0.363 37.762 38.000 0.209 0.000 1.133 386 I HN 0.354 nan 8.210 nan 0.000 0.438 387 F N 2.397 122.452 119.950 0.175 0.000 2.091 387 F HA -0.265 4.260 4.527 -0.002 0.000 0.299 387 F C 2.297 178.204 175.800 0.178 0.000 1.103 387 F CA 1.700 59.810 58.000 0.183 0.000 1.228 387 F CB -0.321 38.803 39.000 0.208 0.000 0.984 387 F HN -0.088 nan 8.300 nan 0.000 0.477 388 I N 0.015 120.710 120.570 0.208 0.000 2.208 388 I HA -0.363 3.804 4.170 -0.004 0.000 0.245 388 I C 2.652 178.835 176.117 0.110 0.000 1.097 388 I CA 1.334 62.704 61.300 0.117 0.000 1.363 388 I CB -0.899 37.262 38.000 0.268 0.000 1.051 388 I HN 0.276 nan 8.210 nan 0.000 0.413 389 A N 0.167 123.120 122.820 0.222 0.000 1.933 389 A HA -0.153 4.165 4.320 -0.004 0.000 0.218 389 A C 2.387 179.973 177.584 0.004 0.000 1.175 389 A CA 1.514 53.617 52.037 0.111 0.000 0.628 389 A CB -0.917 18.151 19.000 0.114 0.000 0.814 389 A HN 0.257 nan 8.150 nan 0.000 0.444 390 V N 0.450 120.359 119.914 -0.009 0.000 2.469 390 V HA -0.276 3.842 4.120 -0.004 0.000 0.251 390 V C 2.348 178.372 176.094 -0.118 0.000 1.064 390 V CA 2.005 64.278 62.300 -0.044 0.000 1.066 390 V CB -0.639 31.169 31.823 -0.026 0.000 0.667 390 V HN 0.586 nan 8.190 nan 0.000 0.461 391 I N -0.415 120.026 120.570 -0.214 0.000 2.286 391 I HA -0.178 3.990 4.170 -0.004 0.000 0.245 391 I C 2.215 178.281 176.117 -0.084 0.000 1.104 391 I CA 1.537 62.723 61.300 -0.191 0.000 1.397 391 I CB -0.374 37.472 38.000 -0.257 0.000 1.072 391 I HN 0.234 nan 8.210 nan 0.000 0.417 392 I N 0.835 121.359 120.570 -0.076 0.000 2.361 392 I HA -0.218 3.950 4.170 -0.004 0.000 0.251 392 I C 1.164 177.274 176.117 -0.012 0.000 1.133 392 I CA 1.258 62.517 61.300 -0.068 0.000 1.413 392 I CB -0.232 37.658 38.000 -0.183 0.000 1.073 392 I HN 0.143 nan 8.210 nan 0.000 0.424 393 L N 1.666 122.883 121.223 -0.009 0.000 2.512 393 L HA 0.230 4.568 4.340 -0.004 0.000 0.247 393 L C -0.332 176.559 176.870 0.034 0.000 1.204 393 L CA -0.057 54.811 54.840 0.046 0.000 1.153 393 L CB -0.020 42.070 42.059 0.051 0.000 1.415 393 L HN 0.024 nan 8.230 nan 0.000 0.406 394 S N 0.164 115.883 115.700 0.032 0.000 2.640 394 S HA 0.251 4.719 4.470 -0.004 0.000 0.320 394 S C 1.101 175.709 174.600 0.014 0.000 1.097 394 S CA -0.588 57.623 58.200 0.017 0.000 1.092 394 S CB 1.682 64.885 63.200 0.005 0.000 0.988 394 S HN 0.603 nan 8.310 nan 0.000 0.470 395 G N 1.693 110.502 108.800 0.015 0.000 2.807 395 G HA2 -0.087 3.871 3.960 -0.004 0.000 0.207 395 G HA3 -0.087 3.871 3.960 -0.004 0.000 0.207 395 G C 0.555 175.448 174.900 -0.012 0.000 1.151 395 G CA 0.094 45.198 45.100 0.006 0.000 0.800 395 G HN 0.779 nan 8.290 nan 0.000 0.523 396 D N -0.083 120.305 120.400 -0.020 0.000 2.491 396 D HA 0.085 4.723 4.640 -0.004 0.000 0.228 396 D C 0.363 176.617 176.300 -0.077 0.000 1.183 396 D CA -0.403 53.575 54.000 -0.036 0.000 0.827 396 D CB 0.416 41.202 40.800 -0.023 0.000 0.989 396 D HN -0.024 nan 8.370 nan 0.000 0.494 397 R N 1.779 122.215 120.500 -0.108 0.000 2.457 397 R HA 0.432 4.770 4.340 -0.004 0.000 0.284 397 R C -2.304 173.864 176.300 -0.219 0.000 1.024 397 R CA -1.880 54.072 56.100 -0.248 0.000 1.025 397 R CB 0.418 30.579 30.300 -0.232 0.000 1.063 397 R HN 0.145 nan 8.270 nan 0.000 0.493 398 P HA 0.136 nan 4.420 nan 0.000 0.279 398 P C 0.369 177.630 177.300 -0.065 0.000 1.239 398 P CA 0.031 63.046 63.100 -0.142 0.000 0.789 398 P CB 0.912 32.553 31.700 -0.098 0.000 0.933 399 G N 1.614 110.404 108.800 -0.015 0.000 2.176 399 G HA2 -0.208 3.750 3.960 -0.004 0.000 0.253 399 G HA3 -0.208 3.750 3.960 -0.004 0.000 0.253 399 G C -0.013 174.892 174.900 0.009 0.000 0.979 399 G CA -0.251 44.858 45.100 0.014 0.000 0.641 399 G HN 0.461 nan 8.290 nan 0.000 0.530 400 L N 0.310 121.529 121.223 -0.006 0.000 2.417 400 L HA 0.473 4.811 4.340 -0.004 0.000 0.268 400 L C 1.864 178.732 176.870 -0.004 0.000 1.158 400 L CA -0.605 54.233 54.840 -0.003 0.000 0.819 400 L CB 0.790 42.844 42.059 -0.008 0.000 1.112 400 L HN 0.089 nan 8.230 nan 0.000 0.458 401 L N 1.071 122.291 121.223 -0.005 0.000 2.471 401 L HA 0.149 4.487 4.340 -0.004 0.000 0.186 401 L C 0.514 177.379 176.870 -0.008 0.000 1.191 401 L CA 0.087 54.923 54.840 -0.007 0.000 0.835 401 L CB -0.121 41.933 42.059 -0.010 0.000 1.092 401 L HN 0.600 nan 8.230 nan 0.000 0.495 402 N N 1.292 119.985 118.700 -0.011 0.000 2.508 402 N HA 0.068 4.806 4.740 -0.004 0.000 0.253 402 N C 0.718 176.226 175.510 -0.005 0.000 1.145 402 N CA 0.050 53.094 53.050 -0.010 0.000 0.973 402 N CB 1.986 40.464 38.487 -0.015 0.000 1.305 402 N HN -0.005 nan 8.380 nan 0.000 0.506 403 V N 1.996 121.909 119.914 -0.002 0.000 2.488 403 V HA -0.124 3.994 4.120 -0.004 0.000 0.246 403 V C 2.350 178.448 176.094 0.007 0.000 1.046 403 V CA 1.207 63.508 62.300 0.002 0.000 1.053 403 V CB -0.130 31.693 31.823 0.000 0.000 0.679 403 V HN 0.449 nan 8.190 nan 0.000 0.458 404 K N 0.286 120.689 120.400 0.005 0.000 2.063 404 K HA -0.145 4.173 4.320 -0.004 0.000 0.208 404 K C -0.043 176.563 176.600 0.009 0.000 1.048 404 K CA 1.949 58.240 56.287 0.007 0.000 0.928 404 K CB -1.536 30.967 32.500 0.004 0.000 0.713 404 K HN 0.373 nan 8.250 nan 0.000 0.442 405 P HA -0.115 nan 4.420 nan 0.000 0.211 405 P C 1.683 178.994 177.300 0.019 0.000 1.179 405 P CA 1.185 64.289 63.100 0.007 0.000 0.910 405 P CB -0.033 31.664 31.700 -0.004 0.000 0.785 406 I N -0.212 120.371 120.570 0.023 0.000 2.065 406 I HA -0.349 3.819 4.170 -0.004 0.000 0.236 406 I C 2.359 178.502 176.117 0.043 0.000 1.028 406 I CA 1.844 63.171 61.300 0.044 0.000 1.299 406 I CB -0.863 37.163 38.000 0.044 0.000 1.015 406 I HN 0.058 nan 8.210 nan 0.000 0.396 407 E N 0.229 120.448 120.200 0.032 0.000 2.169 407 E HA -0.354 3.994 4.350 -0.004 0.000 0.202 407 E C 1.706 178.327 176.600 0.035 0.000 1.016 407 E CA 2.067 58.486 56.400 0.032 0.000 0.817 407 E CB -0.307 29.408 29.700 0.025 0.000 0.736 407 E HN 0.533 nan 8.360 nan 0.000 0.462 408 D N 0.461 120.878 120.400 0.029 0.000 2.106 408 D HA -0.191 4.447 4.640 -0.004 0.000 0.191 408 D C 1.858 178.178 176.300 0.034 0.000 0.997 408 D CA 1.386 55.402 54.000 0.027 0.000 0.834 408 D CB -0.006 40.806 40.800 0.020 0.000 0.956 408 D HN 0.039 nan 8.370 nan 0.000 0.448 409 I N 0.532 121.126 120.570 0.040 0.000 2.226 409 I HA -0.226 3.941 4.170 -0.004 0.000 0.245 409 I C 2.521 178.669 176.117 0.050 0.000 1.100 409 I CA 1.211 62.539 61.300 0.046 0.000 1.374 409 I CB -1.562 36.477 38.000 0.064 0.000 1.057 409 I HN 0.345 nan 8.210 nan 0.000 0.413 410 Q N 1.386 121.218 119.800 0.054 0.000 2.014 410 Q HA -0.248 4.090 4.340 -0.004 0.000 0.207 410 Q C 1.851 177.891 176.000 0.066 0.000 0.993 410 Q CA 2.366 58.204 55.803 0.058 0.000 0.850 410 Q CB -0.040 28.730 28.738 0.053 0.000 0.916 410 Q HN 0.437 nan 8.270 nan 0.000 0.417 411 D N 0.175 120.610 120.400 0.058 0.000 2.149 411 D HA -0.228 4.409 4.640 -0.004 0.000 0.194 411 D C 1.625 177.957 176.300 0.052 0.000 1.001 411 D CA 1.393 55.429 54.000 0.059 0.000 0.849 411 D CB -0.576 40.250 40.800 0.044 0.000 0.939 411 D HN 0.453 nan 8.370 nan 0.000 0.449 412 N N 0.562 119.288 118.700 0.043 0.000 2.270 412 N HA -0.072 4.666 4.740 -0.004 0.000 0.181 412 N C 2.102 177.639 175.510 0.045 0.000 1.016 412 N CA 0.234 53.304 53.050 0.034 0.000 0.870 412 N CB 0.100 38.603 38.487 0.027 0.000 0.979 412 N HN 0.202 nan 8.380 nan 0.000 0.431 413 L N 0.696 121.956 121.223 0.061 0.000 2.072 413 L HA -0.068 4.270 4.340 -0.004 0.000 0.205 413 L C 2.471 179.404 176.870 0.105 0.000 1.079 413 L CA 0.592 55.481 54.840 0.080 0.000 0.752 413 L CB -0.351 41.758 42.059 0.083 0.000 0.906 413 L HN 0.157 nan 8.230 nan 0.000 0.436 414 L N -0.478 120.819 121.223 0.123 0.000 2.046 414 L HA -0.260 4.078 4.340 -0.004 0.000 0.208 414 L C 2.633 179.540 176.870 0.061 0.000 1.077 414 L CA 1.375 56.328 54.840 0.190 0.000 0.747 414 L CB -0.463 41.741 42.059 0.240 0.000 0.896 414 L HN 0.402 nan 8.230 nan 0.000 0.432 415 Q N -0.235 119.575 119.800 0.017 0.000 2.291 415 Q HA -0.185 4.153 4.340 -0.004 0.000 0.206 415 Q C 2.073 178.039 176.000 -0.057 0.000 0.976 415 Q CA 1.377 57.148 55.803 -0.054 0.000 0.875 415 Q CB 0.106 28.831 28.738 -0.021 0.000 0.927 415 Q HN 0.531 nan 8.270 nan 0.000 0.450 416 A N 0.238 123.056 122.820 -0.002 0.000 1.943 416 A HA -0.050 4.268 4.320 -0.004 0.000 0.213 416 A C 1.840 179.437 177.584 0.021 0.000 1.181 416 A CA 0.685 52.730 52.037 0.013 0.000 0.653 416 A CB -0.406 18.623 19.000 0.047 0.000 0.833 416 A HN 0.462 nan 8.150 nan 0.000 0.451 417 L N 0.363 121.625 121.223 0.065 0.000 2.093 417 L HA -0.060 4.278 4.340 -0.004 0.000 0.208 417 L C 2.027 178.919 176.870 0.037 0.000 1.085 417 L CA 2.690 57.607 54.840 0.128 0.000 0.755 417 L CB -0.666 41.566 42.059 0.288 0.000 0.904 417 L HN 0.561 nan 8.230 nan 0.000 0.435 418 E N -0.681 119.390 120.200 -0.216 0.000 2.110 418 E HA -0.261 4.087 4.350 -0.004 0.000 0.193 418 E C 2.100 178.572 176.600 -0.214 0.000 0.988 418 E CA 1.516 57.599 56.400 -0.528 0.000 0.804 418 E CB -0.190 28.956 29.700 -0.924 0.000 0.745 418 E HN 0.521 nan 8.360 nan 0.000 0.458 419 L N 0.744 121.889 121.223 -0.130 0.000 2.209 419 L HA -0.060 4.278 4.340 -0.004 0.000 0.207 419 L C 2.246 179.095 176.870 -0.035 0.000 1.094 419 L CA 1.407 56.204 54.840 -0.072 0.000 0.790 419 L CB -0.315 41.710 42.059 -0.056 0.000 0.932 419 L HN 0.073 nan 8.230 nan 0.000 0.447 420 Q N -0.126 119.667 119.800 -0.012 0.000 2.124 420 Q HA -0.146 4.192 4.340 -0.004 0.000 0.202 420 Q C 2.018 178.023 176.000 0.009 0.000 0.977 420 Q CA 2.046 57.848 55.803 -0.001 0.000 0.850 420 Q CB -0.443 28.312 28.738 0.029 0.000 0.901 420 Q HN 0.623 nan 8.270 nan 0.000 0.429 421 L N 0.135 121.394 121.223 0.060 0.000 2.072 421 L HA -0.094 4.244 4.340 -0.004 0.000 0.205 421 L C 2.527 179.450 176.870 0.088 0.000 1.079 421 L CA 1.456 56.377 54.840 0.135 0.000 0.752 421 L CB -0.562 41.603 42.059 0.177 0.000 0.906 421 L HN 0.251 nan 8.230 nan 0.000 0.436 422 K N 1.022 121.439 120.400 0.029 0.000 2.147 422 K HA -0.150 4.168 4.320 -0.004 0.000 0.205 422 K C 1.902 178.492 176.600 -0.017 0.000 1.049 422 K CA 1.280 57.573 56.287 0.010 0.000 0.936 422 K CB 0.022 32.513 32.500 -0.015 0.000 0.722 422 K HN 0.326 nan 8.250 nan 0.000 0.446 423 L N 0.046 121.244 121.223 -0.042 0.000 2.446 423 L HA 0.055 4.393 4.340 -0.004 0.000 0.219 423 L C 1.726 178.519 176.870 -0.127 0.000 1.116 423 L CA 0.418 55.218 54.840 -0.068 0.000 0.844 423 L CB -0.165 41.858 42.059 -0.061 0.000 0.970 423 L HN 0.189 nan 8.230 nan 0.000 0.457 424 N N -1.369 117.217 118.700 -0.190 0.000 2.414 424 N HA 0.001 4.739 4.740 -0.004 0.000 0.177 424 N C 0.465 175.589 175.510 -0.643 0.000 1.062 424 N CA 0.425 53.226 53.050 -0.416 0.000 0.890 424 N CB 0.553 38.739 38.487 -0.502 0.000 1.070 424 N HN 0.181 nan 8.380 nan 0.000 0.454 425 H N -0.443 118.578 119.070 -0.081 0.000 2.535 425 H HA 0.230 4.783 4.556 -0.004 0.000 0.232 425 H C -1.850 173.436 175.328 -0.070 0.000 1.405 425 H CA -1.334 54.657 56.048 -0.094 0.000 1.224 425 H CB 0.972 30.682 29.762 -0.086 0.000 1.763 425 H HN 0.266 nan 8.280 nan 0.000 0.529 426 P HA -0.219 nan 4.420 nan 0.000 0.219 426 P C 0.600 177.915 177.300 0.025 0.000 1.153 426 P CA 1.527 64.630 63.100 0.005 0.000 0.865 426 P CB 0.471 32.167 31.700 -0.008 0.000 0.788 427 E N -0.317 119.898 120.200 0.024 0.000 2.501 427 E HA 0.087 4.435 4.350 -0.004 0.000 0.200 427 E C 0.225 176.837 176.600 0.019 0.000 1.016 427 E CA -0.148 56.270 56.400 0.031 0.000 0.921 427 E CB 0.159 29.890 29.700 0.052 0.000 1.034 427 E HN 0.273 nan 8.360 nan 0.000 0.468 428 S N 1.086 116.798 115.700 0.021 0.000 2.405 428 S HA 0.159 4.627 4.470 -0.004 0.000 0.291 428 S C 0.185 174.782 174.600 -0.005 0.000 1.137 428 S CA -0.700 57.490 58.200 -0.017 0.000 1.061 428 S CB 1.266 64.427 63.200 -0.066 0.000 1.001 428 S HN 0.013 nan 8.310 nan 0.000 0.507 429 S N 3.661 119.356 115.700 -0.008 0.000 2.498 429 S HA 0.062 4.530 4.470 -0.004 0.000 0.281 429 S C 0.720 175.321 174.600 0.001 0.000 1.265 429 S CA -0.129 58.073 58.200 0.002 0.000 1.071 429 S CB -0.440 62.760 63.200 -0.000 0.000 0.894 429 S HN 0.771 nan 8.310 nan 0.000 0.491 430 Q N 1.694 121.510 119.800 0.026 0.000 2.480 430 Q HA -0.213 4.124 4.340 -0.004 0.000 0.265 430 Q C 0.624 176.638 176.000 0.024 0.000 1.072 430 Q CA 0.814 56.640 55.803 0.038 0.000 1.018 430 Q CB -2.179 26.570 28.738 0.019 0.000 1.433 430 Q HN 0.805 nan 8.270 nan 0.000 0.513 431 L N -0.340 120.894 121.223 0.018 0.000 2.012 431 L HA -0.144 4.194 4.340 -0.004 0.000 0.210 431 L C 1.932 178.818 176.870 0.026 0.000 1.073 431 L CA 2.524 57.349 54.840 -0.025 0.000 0.748 431 L CB -0.638 41.386 42.059 -0.057 0.000 0.891 431 L HN 0.366 nan 8.230 nan 0.000 0.431 432 F N 0.375 120.314 119.950 -0.017 0.000 2.120 432 F HA -0.260 4.265 4.527 -0.004 0.000 0.300 432 F C 2.265 178.084 175.800 0.031 0.000 1.095 432 F CA 1.691 59.702 58.000 0.018 0.000 1.249 432 F CB -0.848 38.173 39.000 0.034 0.000 0.995 432 F HN 0.180 nan 8.300 nan 0.000 0.480 433 A N 0.187 122.953 122.820 -0.090 0.000 1.873 433 A HA -0.192 4.126 4.320 -0.004 0.000 0.215 433 A C 2.252 179.748 177.584 -0.147 0.000 1.186 433 A CA 1.856 53.798 52.037 -0.159 0.000 0.616 433 A CB -0.659 18.330 19.000 -0.018 0.000 0.823 433 A HN 0.474 nan 8.150 nan 0.000 0.442 434 K N -0.747 119.595 120.400 -0.096 0.000 2.057 434 K HA -0.095 4.223 4.320 -0.004 0.000 0.207 434 K C 1.899 178.441 176.600 -0.096 0.000 1.049 434 K CA 1.289 57.525 56.287 -0.085 0.000 0.931 434 K CB -0.383 32.063 32.500 -0.090 0.000 0.714 434 K HN 0.377 nan 8.250 nan 0.000 0.440 435 L N 1.509 122.649 121.223 -0.138 0.000 2.046 435 L HA -0.123 4.214 4.340 -0.004 0.000 0.208 435 L C 1.743 178.605 176.870 -0.014 0.000 1.077 435 L CA 1.628 56.383 54.840 -0.142 0.000 0.747 435 L CB -0.404 41.550 42.059 -0.175 0.000 0.896 435 L HN 0.145 nan 8.230 nan 0.000 0.432 436 L N -0.595 120.568 121.223 -0.099 0.000 2.456 436 L HA -0.141 4.197 4.340 -0.004 0.000 0.224 436 L C 2.412 179.309 176.870 0.045 0.000 1.148 436 L CA 0.840 55.672 54.840 -0.014 0.000 0.825 436 L CB -0.451 41.471 42.059 -0.228 0.000 0.937 436 L HN 0.449 nan 8.230 nan 0.000 0.450 437 Q N 0.537 120.350 119.800 0.021 0.000 2.137 437 Q HA -0.133 4.205 4.340 -0.004 0.000 0.198 437 Q C 2.027 178.099 176.000 0.121 0.000 0.960 437 Q CA 1.333 57.165 55.803 0.048 0.000 0.847 437 Q CB 0.065 28.812 28.738 0.015 0.000 0.915 437 Q HN 0.095 nan 8.270 nan 0.000 0.448 438 K N 0.119 120.622 120.400 0.170 0.000 2.211 438 K HA -0.094 4.224 4.320 -0.004 0.000 0.204 438 K C 1.860 178.671 176.600 0.351 0.000 1.047 438 K CA 1.223 57.685 56.287 0.293 0.000 0.935 438 K CB -0.257 32.469 32.500 0.376 0.000 0.728 438 K HN 0.436 nan 8.250 nan 0.000 0.452 439 M N 0.450 120.239 119.600 0.316 0.000 2.279 439 M HA -0.122 4.356 4.480 -0.004 0.000 0.264 439 M C 2.087 178.478 176.300 0.152 0.000 1.062 439 M CA 1.775 57.225 55.300 0.249 0.000 1.099 439 M CB -0.668 32.046 32.600 0.191 0.000 1.394 439 M HN 0.216 nan 8.290 nan 0.000 0.426 440 T N -3.138 111.495 114.554 0.132 0.000 3.067 440 T HA -0.031 4.317 4.350 -0.004 0.000 0.257 440 T C 1.190 175.951 174.700 0.103 0.000 1.105 440 T CA 0.660 62.814 62.100 0.089 0.000 1.104 440 T CB -0.102 68.803 68.868 0.062 0.000 0.925 440 T HN 0.258 nan 8.240 nan 0.000 0.498 441 D N 0.946 121.442 120.400 0.159 0.000 2.289 441 D HA 0.162 4.800 4.640 -0.004 0.000 0.207 441 D C 2.027 178.397 176.300 0.118 0.000 0.966 441 D CA 0.369 54.478 54.000 0.182 0.000 0.868 441 D CB 0.152 41.134 40.800 0.303 0.000 0.943 441 D HN 0.395 nan 8.370 nan 0.000 0.514 442 L N 0.788 122.068 121.223 0.095 0.000 1.988 442 L HA -0.120 4.218 4.340 -0.004 0.000 0.207 442 L C 2.668 179.574 176.870 0.059 0.000 1.071 442 L CA 0.952 55.771 54.840 -0.034 0.000 0.744 442 L CB -0.308 41.751 42.059 -0.000 0.000 0.893 442 L HN -0.116 nan 8.230 nan 0.000 0.433 443 R N 0.092 120.649 120.500 0.096 0.000 2.113 443 R HA -0.265 4.073 4.340 -0.004 0.000 0.244 443 R C 2.157 178.521 176.300 0.108 0.000 1.142 443 R CA 1.936 58.115 56.100 0.131 0.000 0.953 443 R CB -0.847 29.498 30.300 0.076 0.000 0.860 443 R HN 0.368 nan 8.270 nan 0.000 0.438 444 Q N 1.087 120.928 119.800 0.068 0.000 2.082 444 Q HA -0.194 4.144 4.340 -0.004 0.000 0.211 444 Q C 1.986 178.022 176.000 0.061 0.000 1.002 444 Q CA 2.059 57.895 55.803 0.055 0.000 0.868 444 Q CB -0.485 28.290 28.738 0.061 0.000 0.931 444 Q HN 0.448 nan 8.270 nan 0.000 0.414 445 I N -0.805 119.787 120.570 0.037 0.000 2.060 445 I HA -0.299 3.869 4.170 -0.004 0.000 0.233 445 I C 2.211 178.413 176.117 0.141 0.000 1.054 445 I CA 1.293 62.593 61.300 -0.000 0.000 1.318 445 I CB -0.806 37.088 38.000 -0.177 0.000 1.054 445 I HN 0.107 nan 8.210 nan 0.000 0.395 446 V N 1.067 121.146 119.914 0.275 0.000 2.242 446 V HA -0.432 3.685 4.120 -0.004 0.000 0.257 446 V C 2.720 179.006 176.094 0.320 0.000 1.073 446 V CA 2.944 65.480 62.300 0.393 0.000 1.058 446 V CB -1.679 30.342 31.823 0.331 0.000 0.664 446 V HN 0.756 nan 8.190 nan 0.000 0.451 447 T N -1.261 113.465 114.554 0.287 0.000 2.788 447 T HA -0.241 4.106 4.350 -0.004 0.000 0.268 447 T C 1.671 176.478 174.700 0.177 0.000 1.044 447 T CA 1.985 64.241 62.100 0.259 0.000 1.139 447 T CB -0.438 68.537 68.868 0.178 0.000 0.867 447 T HN 0.680 nan 8.240 nan 0.000 0.454 448 E N -0.353 119.938 120.200 0.151 0.000 2.150 448 E HA -0.136 4.212 4.350 -0.004 0.000 0.193 448 E C 2.045 178.750 176.600 0.174 0.000 0.985 448 E CA 1.062 57.532 56.400 0.117 0.000 0.814 448 E CB -0.282 29.462 29.700 0.072 0.000 0.752 448 E HN 0.790 nan 8.360 nan 0.000 0.466 449 H N 0.176 119.307 119.070 0.101 0.000 2.326 449 H HA -0.063 4.491 4.556 -0.004 0.000 0.301 449 H C 2.131 177.531 175.328 0.119 0.000 1.081 449 H CA 0.868 56.996 56.048 0.134 0.000 1.334 449 H CB 0.319 30.223 29.762 0.236 0.000 1.385 449 H HN -0.034 nan 8.280 nan 0.000 0.504 450 V N 1.451 121.425 119.914 0.101 0.000 2.568 450 V HA -0.277 3.841 4.120 -0.004 0.000 0.253 450 V C 2.336 178.406 176.094 -0.040 0.000 1.072 450 V CA 1.843 64.108 62.300 -0.059 0.000 1.084 450 V CB -0.446 31.404 31.823 0.045 0.000 0.676 450 V HN 0.546 nan 8.190 nan 0.000 0.469 451 Q N -0.910 118.910 119.800 0.034 0.000 2.046 451 Q HA -0.186 4.152 4.340 -0.004 0.000 0.200 451 Q C 2.286 178.283 176.000 -0.006 0.000 0.975 451 Q CA 1.333 57.146 55.803 0.017 0.000 0.836 451 Q CB -0.258 28.502 28.738 0.037 0.000 0.896 451 Q HN 0.432 nan 8.270 nan 0.000 0.428 452 L N 0.678 121.923 121.223 0.036 0.000 2.017 452 L HA -0.184 4.154 4.340 -0.004 0.000 0.208 452 L C 2.254 179.090 176.870 -0.057 0.000 1.073 452 L CA 1.429 56.277 54.840 0.015 0.000 0.745 452 L CB -0.883 41.249 42.059 0.122 0.000 0.894 452 L HN 0.217 nan 8.230 nan 0.000 0.432 453 L N -1.161 120.024 121.223 -0.063 0.000 2.187 453 L HA -0.246 4.092 4.340 -0.004 0.000 0.213 453 L C 2.629 179.394 176.870 -0.175 0.000 1.100 453 L CA 1.055 55.795 54.840 -0.166 0.000 0.765 453 L CB -0.144 41.673 42.059 -0.403 0.000 0.904 453 L HN 0.408 nan 8.230 nan 0.000 0.437 454 Q N -0.947 118.773 119.800 -0.134 0.000 2.020 454 Q HA -0.143 4.195 4.340 -0.004 0.000 0.198 454 Q C 2.310 178.250 176.000 -0.100 0.000 0.974 454 Q CA 1.544 57.285 55.803 -0.105 0.000 0.829 454 Q CB -0.413 28.284 28.738 -0.068 0.000 0.894 454 Q HN 0.397 nan 8.270 nan 0.000 0.433 455 V N 1.900 121.755 119.914 -0.098 0.000 2.250 455 V HA -0.318 3.800 4.120 -0.004 0.000 0.250 455 V C 2.442 178.451 176.094 -0.142 0.000 1.060 455 V CA 1.825 64.061 62.300 -0.106 0.000 1.030 455 V CB -0.663 31.094 31.823 -0.109 0.000 0.643 455 V HN 0.338 nan 8.190 nan 0.000 0.445 456 I N -0.587 119.862 120.570 -0.202 0.000 2.181 456 I HA -0.398 3.770 4.170 -0.004 0.000 0.247 456 I C 2.505 178.530 176.117 -0.154 0.000 1.081 456 I CA 1.920 63.073 61.300 -0.245 0.000 1.340 456 I CB -0.571 37.226 38.000 -0.339 0.000 1.036 456 I HN 0.336 nan 8.210 nan 0.000 0.417 457 K N 0.490 120.818 120.400 -0.121 0.000 2.366 457 K HA -0.221 4.097 4.320 -0.004 0.000 0.202 457 K C 1.853 178.413 176.600 -0.066 0.000 1.045 457 K CA 1.315 57.553 56.287 -0.081 0.000 0.934 457 K CB -0.016 32.443 32.500 -0.069 0.000 0.746 457 K HN 0.470 nan 8.250 nan 0.000 0.470 458 K N -0.422 119.934 120.400 -0.073 0.000 2.167 458 K HA -0.009 4.309 4.320 -0.004 0.000 0.214 458 K C 1.358 177.925 176.600 -0.055 0.000 1.024 458 K CA 1.125 57.378 56.287 -0.056 0.000 0.951 458 K CB -0.190 32.278 32.500 -0.053 0.000 0.907 458 K HN 0.051 nan 8.250 nan 0.000 0.459 459 T N 1.106 115.618 114.554 -0.069 0.000 4.096 459 T HA 0.089 4.437 4.350 -0.004 0.000 0.241 459 T C -0.261 174.408 174.700 -0.051 0.000 0.869 459 T CA 0.075 62.139 62.100 -0.059 0.000 0.909 459 T CB -0.770 68.055 68.868 -0.070 0.000 1.260 459 T HN 0.302 nan 8.240 nan 0.000 0.692 460 E N -0.893 119.281 120.200 -0.042 0.000 2.412 460 E HA 0.145 4.493 4.350 -0.004 0.000 0.283 460 E C -0.678 175.906 176.600 -0.026 0.000 1.160 460 E CA -0.510 55.874 56.400 -0.026 0.000 0.918 460 E CB 0.316 30.000 29.700 -0.027 0.000 1.194 460 E HN 0.056 nan 8.360 nan 0.000 0.428 461 T N 0.667 115.212 114.554 -0.015 0.000 3.003 461 T HA 0.093 4.441 4.350 -0.004 0.000 0.261 461 T C -0.557 174.138 174.700 -0.007 0.000 1.003 461 T CA 0.128 62.220 62.100 -0.013 0.000 0.917 461 T CB 0.035 68.897 68.868 -0.010 0.000 1.084 461 T HN 0.426 nan 8.240 nan 0.000 0.522 462 D N 3.074 123.473 120.400 -0.003 0.000 2.499 462 D HA 0.157 4.795 4.640 -0.004 0.000 0.225 462 D C 0.348 176.658 176.300 0.016 0.000 1.124 462 D CA -0.477 53.527 54.000 0.006 0.000 0.938 462 D CB 0.303 41.108 40.800 0.008 0.000 1.014 462 D HN 0.451 nan 8.370 nan 0.000 0.517 463 M N -0.939 118.670 119.600 0.015 0.000 3.494 463 M HA 0.302 4.780 4.480 -0.004 0.000 0.213 463 M C -0.463 175.865 176.300 0.047 0.000 1.255 463 M CA -0.677 54.640 55.300 0.028 0.000 1.360 463 M CB 0.513 33.117 32.600 0.006 0.000 1.138 463 M HN -0.202 nan 8.290 nan 0.000 0.615 464 S N 2.867 118.603 115.700 0.061 0.000 2.967 464 S HA 0.133 4.601 4.470 -0.004 0.000 0.254 464 S C 0.622 175.277 174.600 0.092 0.000 1.089 464 S CA -0.545 57.691 58.200 0.060 0.000 1.183 464 S CB -0.855 62.379 63.200 0.055 0.000 0.848 464 S HN 0.714 nan 8.310 nan 0.000 0.477 465 L N 1.329 122.618 121.223 0.110 0.000 2.499 465 L HA 0.275 4.612 4.340 -0.004 0.000 0.273 465 L C 0.488 177.447 176.870 0.149 0.000 1.195 465 L CA 0.196 55.128 54.840 0.154 0.000 0.882 465 L CB -0.945 41.204 42.059 0.151 0.000 1.133 465 L HN 0.263 nan 8.230 nan 0.000 0.483 466 H N 6.755 125.867 119.070 0.070 0.000 3.092 466 H HA 0.010 4.561 4.556 -0.009 0.000 0.332 466 H C -1.695 173.652 175.328 0.031 0.000 1.029 466 H CA -0.373 55.698 56.048 0.039 0.000 1.376 466 H CB 0.972 30.739 29.762 0.008 0.000 1.329 466 H HN 0.561 nan 8.280 nan 0.000 0.598 467 P HA -0.158 nan 4.420 nan 0.000 0.223 467 P C 1.701 179.126 177.300 0.209 0.000 1.151 467 P CA 0.594 63.737 63.100 0.071 0.000 0.787 467 P CB 0.306 31.965 31.700 -0.068 0.000 0.788 468 L N -0.387 121.132 121.223 0.494 0.000 2.095 468 L HA 0.003 4.341 4.340 -0.004 0.000 0.204 468 L C 2.431 179.339 176.870 0.063 0.000 1.080 468 L CA 1.464 56.402 54.840 0.163 0.000 0.759 468 L CB -1.411 40.624 42.059 -0.041 0.000 0.914 468 L HN -0.200 nan 8.230 nan 0.000 0.439 469 L N -0.789 120.496 121.223 0.102 0.000 2.201 469 L HA -0.159 4.179 4.340 -0.004 0.000 0.212 469 L C 2.650 179.624 176.870 0.173 0.000 1.105 469 L CA 0.616 55.523 54.840 0.112 0.000 0.775 469 L CB -0.573 41.609 42.059 0.205 0.000 0.913 469 L HN 0.388 nan 8.230 nan 0.000 0.440 470 Q N -0.018 119.872 119.800 0.150 0.000 2.020 470 Q HA -0.252 4.086 4.340 -0.004 0.000 0.202 470 Q C 1.940 177.977 176.000 0.062 0.000 0.982 470 Q CA 1.820 57.690 55.803 0.111 0.000 0.838 470 Q CB -0.111 28.674 28.738 0.077 0.000 0.899 470 Q HN 0.466 nan 8.270 nan 0.000 0.423 471 E N 0.888 121.106 120.200 0.030 0.000 2.002 471 E HA -0.184 4.164 4.350 -0.004 0.000 0.205 471 E C 1.989 178.554 176.600 -0.059 0.000 1.020 471 E CA 1.597 57.990 56.400 -0.013 0.000 0.856 471 E CB -0.604 29.085 29.700 -0.019 0.000 0.788 471 E HN 0.277 nan 8.360 nan 0.000 0.477 472 I N -0.349 120.161 120.570 -0.101 0.000 2.132 472 I HA -0.399 3.769 4.170 -0.004 0.000 0.238 472 I C 2.413 178.368 176.117 -0.270 0.000 1.012 472 I CA 2.074 63.242 61.300 -0.219 0.000 1.288 472 I CB -0.647 37.207 38.000 -0.245 0.000 0.997 472 I HN 0.301 nan 8.210 nan 0.000 0.402 473 Y N 1.188 121.400 120.300 -0.147 0.000 2.207 473 Y HA -0.179 4.369 4.550 -0.002 0.000 0.287 473 Y C 1.553 177.354 175.900 -0.166 0.000 1.156 473 Y CA 0.997 58.986 58.100 -0.186 0.000 1.182 473 Y CB -0.487 37.907 38.460 -0.111 0.000 0.979 473 Y HN 0.271 nan 8.280 nan 0.000 0.521 474 K N 0.894 121.324 120.400 0.051 0.000 2.339 474 K HA 0.041 4.359 4.320 -0.004 0.000 0.286 474 K C -0.200 176.380 176.600 -0.035 0.000 1.050 474 K CA 0.520 56.812 56.287 0.008 0.000 0.956 474 K CB 0.750 33.257 32.500 0.010 0.000 0.990 474 K HN 0.252 nan 8.250 nan 0.000 0.475 475 D N 0.537 120.923 120.400 -0.024 0.000 2.505 475 D HA -0.166 4.472 4.640 -0.004 0.000 0.175 475 D C -0.209 176.071 176.300 -0.032 0.000 0.932 475 D CA 0.596 54.587 54.000 -0.016 0.000 1.006 475 D CB -0.595 40.197 40.800 -0.013 0.000 1.060 475 D HN 0.481 nan 8.370 nan 0.000 0.471 476 L N 2.776 123.922 121.223 -0.128 0.000 2.540 476 L HA 0.075 4.413 4.340 -0.004 0.000 0.276 476 L C 1.097 177.928 176.870 -0.065 0.000 1.212 476 L CA 0.206 54.883 54.840 -0.272 0.000 0.893 476 L CB -0.157 41.658 42.059 -0.408 0.000 1.138 476 L HN 0.068 nan 8.230 nan 0.000 0.491 477 Y N 0.000 120.397 120.300 0.162 0.000 2.660 477 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 477 Y CA 0.000 58.169 58.100 0.116 0.000 1.940 477 Y CB 0.000 38.537 38.460 0.129 0.000 1.050 477 Y HN 0.000 nan 8.280 nan 0.000 0.758