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 1szp_1_D DATA FIRST_RESID 80 DATA SEQUENCE MVPIEKLQVN GITMADVKKL RESGLHTAEA VAYAPRKDLL EIKGISEAKA DATA SEQUENCE DKLLNEAARL VPMGFVTAAD FHMRRSELIC LTTGSKNLDT LLGGGVETGS DATA SEQUENCE ITELFGEFRT GKSQLCHTLA VTCQIPLDIG GGEGKCLYID TEGTFRPVRL DATA SEQUENCE VSIAQRFGLD PDDALNNVAY ARAYNADHQL RLLDAAAQMM SESRFSLIVV DATA SEQUENCE DSVMALYRTD XXXXXELSAR QMHLAKFMRA LQRLADQFGV AVVVTNQVXX DATA SEQUENCE XXXXXXXXXX XXXXXXGGNI MAHSSTTRLG FKKGKGCQRL CKVVDSPCLP DATA SEQUENCE EAECVFAIYE DGVGDP 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 80 M HA 0.000 nan 4.480 nan 0.000 0.227 80 M C 0.000 176.314 176.300 0.023 0.000 1.140 80 M CA 0.000 55.321 55.300 0.034 0.000 0.988 80 M CB 0.000 32.688 32.600 0.147 0.000 1.302 81 V N 4.446 124.349 119.914 -0.019 0.000 2.348 81 V HA 0.560 4.681 4.120 0.000 0.000 0.270 81 V C -2.035 174.054 176.094 -0.008 0.000 1.037 81 V CA -1.328 60.962 62.300 -0.016 0.000 0.872 81 V CB 0.952 32.750 31.823 -0.042 0.000 1.002 81 V HN 0.739 nan 8.190 nan 0.000 0.464 82 P HA 0.164 nan 4.420 nan 0.000 0.268 82 P C 1.262 178.567 177.300 0.009 0.000 1.208 82 P CA 0.003 63.123 63.100 0.033 0.000 0.777 82 P CB 0.766 32.490 31.700 0.040 0.000 0.875 83 I N 1.449 122.028 120.570 0.016 0.000 2.286 83 I HA -0.261 3.909 4.170 0.000 0.000 0.248 83 I C 1.792 177.908 176.117 -0.002 0.000 1.115 83 I CA 1.611 62.909 61.300 -0.005 0.000 1.392 83 I CB -0.565 37.435 38.000 0.000 0.000 1.065 83 I HN 0.539 nan 8.210 nan 0.000 0.418 84 E N 1.244 121.451 120.200 0.011 0.000 2.208 84 E HA -0.310 4.040 4.350 0.000 0.000 0.202 84 E C 2.306 178.907 176.600 0.001 0.000 1.014 84 E CA 1.891 58.296 56.400 0.009 0.000 0.819 84 E CB -0.448 29.262 29.700 0.016 0.000 0.735 84 E HN 0.593 nan 8.360 nan 0.000 0.469 85 K N 1.374 121.772 120.400 -0.002 0.000 2.362 85 K HA -0.006 4.314 4.320 0.000 0.000 0.200 85 K C 1.821 178.414 176.600 -0.012 0.000 1.046 85 K CA 0.936 57.220 56.287 -0.006 0.000 0.952 85 K CB -0.743 31.753 32.500 -0.007 0.000 0.753 85 K HN 0.136 nan 8.250 nan 0.000 0.466 86 L N 0.277 121.490 121.223 -0.017 0.000 2.599 86 L HA 0.044 4.384 4.340 0.000 0.000 0.230 86 L C 1.037 177.898 176.870 -0.015 0.000 1.141 86 L CA 0.094 54.921 54.840 -0.021 0.000 0.877 86 L CB -0.052 41.989 42.059 -0.030 0.000 1.009 86 L HN 0.440 nan 8.230 nan 0.000 0.447 87 Q N 0.989 120.783 119.800 -0.010 0.000 2.641 87 Q HA 0.234 4.574 4.340 0.000 0.000 0.225 87 Q C -0.708 175.289 176.000 -0.006 0.000 1.309 87 Q CA 0.044 55.843 55.803 -0.007 0.000 0.935 87 Q CB 0.606 29.343 28.738 -0.003 0.000 1.557 87 Q HN 0.095 nan 8.270 nan 0.000 0.563 88 V N 1.785 121.695 119.914 -0.007 0.000 3.216 88 V HA 0.255 4.375 4.120 0.000 0.000 0.302 88 V C -0.256 175.835 176.094 -0.006 0.000 1.286 88 V CA -0.659 61.637 62.300 -0.006 0.000 1.048 88 V CB 2.219 34.039 31.823 -0.006 0.000 1.081 88 V HN 0.906 nan 8.190 nan 0.000 0.442 89 N N 1.969 120.666 118.700 -0.005 0.000 2.693 89 N HA -0.232 4.508 4.740 0.000 0.000 0.250 89 N C 0.840 176.346 175.510 -0.005 0.000 1.033 89 N CA 1.303 54.350 53.050 -0.004 0.000 0.747 89 N CB -0.803 37.681 38.487 -0.005 0.000 0.964 89 N HN 1.736 nan 8.380 nan 0.000 0.540 90 G N -1.273 107.524 108.800 -0.005 0.000 2.205 90 G HA2 -0.207 3.753 3.960 0.000 0.000 0.180 90 G HA3 -0.207 3.753 3.960 0.000 0.000 0.180 90 G C 0.027 174.924 174.900 -0.006 0.000 1.004 90 G CA -0.004 45.093 45.100 -0.005 0.000 0.670 90 G HN 0.314 nan 8.290 nan 0.000 0.496 91 I N 3.147 123.712 120.570 -0.008 0.000 2.325 91 I HA 0.464 4.634 4.170 0.000 0.000 0.291 91 I C 0.988 177.101 176.117 -0.007 0.000 1.019 91 I CA 0.047 61.342 61.300 -0.009 0.000 1.302 91 I CB 1.526 39.519 38.000 -0.012 0.000 1.401 91 I HN 0.244 nan 8.210 nan 0.000 0.485 92 T N 2.806 117.356 114.554 -0.007 0.000 2.902 92 T HA 0.267 4.617 4.350 0.000 0.000 0.283 92 T C 0.955 175.653 174.700 -0.004 0.000 1.009 92 T CA -0.857 61.240 62.100 -0.004 0.000 1.051 92 T CB 1.418 70.284 68.868 -0.003 0.000 0.999 92 T HN 0.689 nan 8.240 nan 0.000 0.474 93 M N 1.300 120.899 119.600 -0.001 0.000 2.521 93 M HA -0.077 4.403 4.480 0.000 0.000 0.260 93 M C 1.856 178.157 176.300 0.002 0.000 1.068 93 M CA 1.594 56.895 55.300 0.002 0.000 1.060 93 M CB -0.556 32.047 32.600 0.005 0.000 1.398 93 M HN 0.900 nan 8.290 nan 0.000 0.473 94 A N -0.283 122.537 122.820 -0.000 0.000 1.984 94 A HA -0.056 4.264 4.320 0.000 0.000 0.214 94 A C 1.642 179.223 177.584 -0.004 0.000 1.173 94 A CA 1.052 53.088 52.037 -0.001 0.000 0.673 94 A CB -0.322 18.678 19.000 -0.000 0.000 0.830 94 A HN 0.484 nan 8.150 nan 0.000 0.453 95 D N 0.103 120.499 120.400 -0.007 0.000 2.077 95 D HA -0.104 4.536 4.640 0.000 0.000 0.196 95 D C 2.168 178.458 176.300 -0.016 0.000 0.986 95 D CA 1.524 55.517 54.000 -0.011 0.000 0.829 95 D CB -0.465 40.328 40.800 -0.013 0.000 0.983 95 D HN 0.143 nan 8.370 nan 0.000 0.453 96 V N 1.734 121.639 119.914 -0.015 0.000 2.219 96 V HA -0.314 3.806 4.120 0.000 0.000 0.248 96 V C 2.596 178.679 176.094 -0.018 0.000 1.053 96 V CA 2.213 64.501 62.300 -0.019 0.000 1.009 96 V CB -0.586 31.230 31.823 -0.012 0.000 0.636 96 V HN 0.236 nan 8.190 nan 0.000 0.445 97 K N 0.172 120.569 120.400 -0.006 0.000 2.127 97 K HA -0.338 3.983 4.320 0.000 0.000 0.212 97 K C 2.090 178.684 176.600 -0.010 0.000 1.050 97 K CA 2.416 58.703 56.287 0.000 0.000 0.929 97 K CB -0.309 32.195 32.500 0.006 0.000 0.715 97 K HN 0.400 nan 8.250 nan 0.000 0.457 98 K N 0.227 120.618 120.400 -0.014 0.000 2.360 98 K HA -0.073 4.247 4.320 0.000 0.000 0.201 98 K C 1.938 178.518 176.600 -0.034 0.000 1.046 98 K CA 1.094 57.370 56.287 -0.018 0.000 0.945 98 K CB 0.025 32.516 32.500 -0.015 0.000 0.750 98 K HN 0.254 nan 8.250 nan 0.000 0.464 99 L N -0.276 120.919 121.223 -0.047 0.000 2.130 99 L HA -0.043 4.297 4.340 0.000 0.000 0.200 99 L C 2.254 179.049 176.870 -0.125 0.000 1.075 99 L CA 0.691 55.483 54.840 -0.079 0.000 0.768 99 L CB -0.397 41.611 42.059 -0.086 0.000 0.933 99 L HN 0.073 nan 8.230 nan 0.000 0.451 100 R N 0.937 121.367 120.500 -0.116 0.000 2.132 100 R HA -0.235 4.105 4.340 0.000 0.000 0.233 100 R C 1.990 178.217 176.300 -0.122 0.000 1.125 100 R CA 2.054 58.053 56.100 -0.168 0.000 0.914 100 R CB -0.686 29.624 30.300 0.016 0.000 0.845 100 R HN 0.394 nan 8.270 nan 0.000 0.431 101 E N 0.461 120.648 120.200 -0.022 0.000 2.393 101 E HA -0.177 4.173 4.350 0.000 0.000 0.201 101 E C 1.891 178.481 176.600 -0.017 0.000 1.025 101 E CA 1.227 57.630 56.400 0.005 0.000 0.856 101 E CB -0.069 29.638 29.700 0.012 0.000 0.771 101 E HN 0.339 nan 8.360 nan 0.000 0.526 102 S N -1.327 114.340 115.700 -0.054 0.000 2.439 102 S HA 0.119 4.589 4.470 0.000 0.000 0.224 102 S C 1.477 176.035 174.600 -0.069 0.000 1.029 102 S CA 1.040 59.209 58.200 -0.053 0.000 0.946 102 S CB 0.713 63.878 63.200 -0.059 0.000 0.797 102 S HN 0.347 nan 8.310 nan 0.000 0.504 103 G N 0.638 109.354 108.800 -0.140 0.000 3.675 103 G HA2 0.008 3.968 3.960 0.000 0.000 0.206 103 G HA3 0.008 3.968 3.960 0.000 0.000 0.206 103 G C -0.137 174.580 174.900 -0.305 0.000 1.086 103 G CA -0.231 44.782 45.100 -0.146 0.000 0.894 103 G HN 0.414 nan 8.290 nan 0.000 0.412 104 L N 1.488 122.547 121.223 -0.274 0.000 2.536 104 L HA 0.270 4.610 4.340 0.000 0.000 0.294 104 L C 1.154 177.708 176.870 -0.526 0.000 1.257 104 L CA 0.473 55.149 54.840 -0.273 0.000 0.850 104 L CB 0.184 42.133 42.059 -0.185 0.000 1.105 104 L HN 0.321 nan 8.230 nan 0.000 0.517 105 H N -0.302 118.758 119.070 -0.017 0.000 3.474 105 H HA 0.247 4.803 4.556 0.000 0.000 0.259 105 H C -0.915 174.414 175.328 0.002 0.000 1.164 105 H CA -0.000 56.060 56.048 0.020 0.000 1.078 105 H CB 1.035 30.848 29.762 0.086 0.000 1.957 105 H HN 0.661 nan 8.280 nan 0.000 0.765 106 T N -0.787 113.763 114.554 -0.008 0.000 3.003 106 T HA 0.307 4.657 4.350 0.000 0.000 0.354 106 T C 1.154 175.755 174.700 -0.165 0.000 1.651 106 T CA -0.066 61.987 62.100 -0.079 0.000 1.103 106 T CB 1.729 70.500 68.868 -0.161 0.000 1.450 106 T HN 0.053 nan 8.240 nan 0.000 0.484 107 A N 1.489 124.219 122.820 -0.150 0.000 1.929 107 A HA -0.240 4.080 4.320 0.000 0.000 0.221 107 A C 2.000 179.391 177.584 -0.323 0.000 1.211 107 A CA 2.766 54.693 52.037 -0.182 0.000 0.657 107 A CB -0.802 18.111 19.000 -0.146 0.000 0.827 107 A HN 0.890 nan 8.150 nan 0.000 0.462 108 E N -0.357 119.582 120.200 -0.435 0.000 2.055 108 E HA -0.196 4.154 4.350 0.000 0.000 0.209 108 E C 2.339 178.373 176.600 -0.943 0.000 1.036 108 E CA 1.788 57.648 56.400 -0.899 0.000 0.849 108 E CB -0.745 28.558 29.700 -0.662 0.000 0.767 108 E HN 0.629 nan 8.360 nan 0.000 0.461 109 A N 0.392 122.934 122.820 -0.464 0.000 1.870 109 A HA -0.310 4.010 4.320 0.000 0.000 0.219 109 A C 2.547 180.009 177.584 -0.203 0.000 1.224 109 A CA 2.551 54.443 52.037 -0.242 0.000 0.650 109 A CB -1.287 17.622 19.000 -0.153 0.000 0.836 109 A HN 0.150 nan 8.150 nan 0.000 0.454 110 V N -0.217 119.581 119.914 -0.193 0.000 2.219 110 V HA -0.327 3.793 4.120 0.000 0.000 0.248 110 V C 3.081 179.100 176.094 -0.125 0.000 1.053 110 V CA 2.567 64.786 62.300 -0.135 0.000 1.009 110 V CB -1.613 30.137 31.823 -0.122 0.000 0.636 110 V HN 0.745 nan 8.190 nan 0.000 0.445 111 A N -0.575 122.127 122.820 -0.196 0.000 1.915 111 A HA -0.291 4.029 4.320 0.000 0.000 0.220 111 A C 2.080 179.695 177.584 0.051 0.000 1.198 111 A CA 2.703 54.661 52.037 -0.130 0.000 0.647 111 A CB -0.907 17.930 19.000 -0.272 0.000 0.825 111 A HN 0.635 nan 8.150 nan 0.000 0.456 112 Y N -0.401 119.863 120.300 -0.060 0.000 2.314 112 Y HA 0.353 4.904 4.550 0.000 0.000 0.293 112 Y C 1.859 177.727 175.900 -0.054 0.000 1.129 112 Y CA -0.520 57.544 58.100 -0.061 0.000 1.201 112 Y CB -1.537 36.880 38.460 -0.071 0.000 0.999 112 Y HN 0.310 nan 8.280 nan 0.000 0.541 113 A N 2.519 125.389 122.820 0.082 0.000 2.565 113 A HA 0.156 4.477 4.320 0.000 0.000 0.237 113 A C -2.161 175.434 177.584 0.018 0.000 1.053 113 A CA -0.895 51.158 52.037 0.027 0.000 0.755 113 A CB -0.745 18.248 19.000 -0.011 0.000 0.980 113 A HN 0.084 nan 8.150 nan 0.000 0.506 114 P HA 0.356 nan 4.420 nan 0.000 0.271 114 P C 1.366 178.663 177.300 -0.004 0.000 1.233 114 P CA 0.377 63.478 63.100 0.002 0.000 0.789 114 P CB 0.481 32.179 31.700 -0.002 0.000 0.951 115 R N 1.768 122.265 120.500 -0.005 0.000 2.057 115 R HA -0.057 4.283 4.340 0.000 0.000 0.229 115 R C 2.377 178.672 176.300 -0.009 0.000 1.136 115 R CA 2.468 58.563 56.100 -0.007 0.000 0.952 115 R CB -2.266 28.030 30.300 -0.006 0.000 0.848 115 R HN 0.507 nan 8.270 nan 0.000 0.430 116 K N 1.558 121.954 120.400 -0.008 0.000 2.034 116 K HA -0.236 4.084 4.320 0.000 0.000 0.214 116 K C 1.962 178.556 176.600 -0.010 0.000 1.051 116 K CA 1.953 58.235 56.287 -0.008 0.000 0.931 116 K CB -1.361 31.135 32.500 -0.007 0.000 0.715 116 K HN 0.645 nan 8.250 nan 0.000 0.446 117 D N 0.142 120.535 120.400 -0.011 0.000 2.362 117 D HA -0.103 4.537 4.640 0.000 0.000 0.215 117 D C 1.702 177.990 176.300 -0.019 0.000 0.978 117 D CA 1.283 55.275 54.000 -0.014 0.000 0.921 117 D CB 0.077 40.868 40.800 -0.014 0.000 0.895 117 D HN 0.544 nan 8.370 nan 0.000 0.494 118 L N -0.401 120.811 121.223 -0.019 0.000 2.200 118 L HA 0.016 4.356 4.340 0.000 0.000 0.200 118 L C 2.570 179.430 176.870 -0.018 0.000 1.072 118 L CA 0.128 54.954 54.840 -0.022 0.000 0.787 118 L CB -0.442 41.603 42.059 -0.023 0.000 0.957 118 L HN -0.049 nan 8.230 nan 0.000 0.459 119 L N 0.923 122.138 121.223 -0.014 0.000 2.103 119 L HA -0.285 4.056 4.340 0.000 0.000 0.215 119 L C 3.023 179.886 176.870 -0.011 0.000 1.080 119 L CA 2.111 56.944 54.840 -0.011 0.000 0.764 119 L CB -1.227 40.826 42.059 -0.009 0.000 0.890 119 L HN 0.472 nan 8.230 nan 0.000 0.435 120 E N 0.550 120.743 120.200 -0.011 0.000 2.347 120 E HA 0.009 4.359 4.350 0.000 0.000 0.196 120 E C 1.077 177.670 176.600 -0.012 0.000 1.008 120 E CA 0.287 56.681 56.400 -0.010 0.000 0.852 120 E CB -0.562 29.132 29.700 -0.009 0.000 0.783 120 E HN 0.510 nan 8.360 nan 0.000 0.505 121 I N 2.044 122.605 120.570 -0.015 0.000 2.581 121 I HA 0.206 4.376 4.170 0.000 0.000 0.285 121 I C 1.103 177.212 176.117 -0.013 0.000 1.129 121 I CA 0.014 61.304 61.300 -0.016 0.000 1.397 121 I CB 0.705 38.692 38.000 -0.022 0.000 1.399 121 I HN 0.323 nan 8.210 nan 0.000 0.537 122 K N 5.306 125.700 120.400 -0.010 0.000 2.430 122 K HA 0.339 4.659 4.320 0.000 0.000 0.280 122 K C 1.114 177.709 176.600 -0.008 0.000 1.063 122 K CA 0.473 56.755 56.287 -0.008 0.000 1.071 122 K CB -0.383 32.114 32.500 -0.006 0.000 0.899 122 K HN 1.078 nan 8.250 nan 0.000 0.473 123 G N 1.072 109.868 108.800 -0.008 0.000 2.218 123 G HA2 -0.149 3.811 3.960 0.000 0.000 0.216 123 G HA3 -0.149 3.811 3.960 0.000 0.000 0.216 123 G C 0.148 175.043 174.900 -0.009 0.000 0.994 123 G CA -0.028 45.067 45.100 -0.008 0.000 0.637 123 G HN 0.718 nan 8.290 nan 0.000 0.505 124 I N 3.234 123.797 120.570 -0.011 0.000 2.322 124 I HA 0.343 4.513 4.170 0.000 0.000 0.292 124 I C 1.192 177.302 176.117 -0.011 0.000 1.060 124 I CA -0.060 61.232 61.300 -0.012 0.000 1.309 124 I CB 0.789 38.779 38.000 -0.016 0.000 1.415 124 I HN 0.418 nan 8.210 nan 0.000 0.492 125 S N 3.843 119.538 115.700 -0.009 0.000 2.528 125 S HA 0.210 4.680 4.470 0.000 0.000 0.277 125 S C 1.322 175.918 174.600 -0.008 0.000 1.297 125 S CA 0.076 58.271 58.200 -0.008 0.000 1.052 125 S CB 1.383 64.579 63.200 -0.007 0.000 0.917 125 S HN 0.715 nan 8.310 nan 0.000 0.492 126 E N 2.820 123.016 120.200 -0.007 0.000 2.284 126 E HA -0.143 4.208 4.350 0.000 0.000 0.200 126 E C 1.971 178.567 176.600 -0.007 0.000 1.008 126 E CA 2.007 58.403 56.400 -0.007 0.000 0.829 126 E CB -1.113 28.584 29.700 -0.006 0.000 0.744 126 E HN 1.077 nan 8.360 nan 0.000 0.491 127 A N 0.168 122.985 122.820 -0.006 0.000 1.871 127 A HA 0.132 4.452 4.320 0.000 0.000 0.211 127 A C 2.244 179.824 177.584 -0.007 0.000 1.207 127 A CA 1.581 53.614 52.037 -0.006 0.000 0.620 127 A CB -0.148 18.849 19.000 -0.005 0.000 0.860 127 A HN 0.396 nan 8.150 nan 0.000 0.450 128 K N 0.031 120.426 120.400 -0.008 0.000 2.127 128 K HA -0.190 4.130 4.320 0.000 0.000 0.208 128 K C 2.004 178.597 176.600 -0.012 0.000 1.047 128 K CA 1.504 57.785 56.287 -0.010 0.000 0.927 128 K CB -0.291 32.202 32.500 -0.010 0.000 0.716 128 K HN 0.398 nan 8.250 nan 0.000 0.450 129 A N 1.370 124.182 122.820 -0.012 0.000 1.873 129 A HA -0.168 4.152 4.320 0.000 0.000 0.215 129 A C 1.665 179.241 177.584 -0.014 0.000 1.186 129 A CA 1.829 53.857 52.037 -0.015 0.000 0.616 129 A CB -0.559 18.432 19.000 -0.014 0.000 0.823 129 A HN 0.390 nan 8.150 nan 0.000 0.442 130 D N 0.201 120.594 120.400 -0.011 0.000 2.158 130 D HA -0.149 4.491 4.640 0.000 0.000 0.197 130 D C 2.235 178.529 176.300 -0.010 0.000 0.995 130 D CA 2.214 56.208 54.000 -0.009 0.000 0.846 130 D CB -0.434 40.362 40.800 -0.006 0.000 0.941 130 D HN 0.555 nan 8.370 nan 0.000 0.456 131 K N 0.929 121.323 120.400 -0.011 0.000 2.152 131 K HA -0.110 4.210 4.320 0.000 0.000 0.206 131 K C 2.320 178.911 176.600 -0.015 0.000 1.048 131 K CA 0.926 57.206 56.287 -0.011 0.000 0.933 131 K CB -0.979 31.515 32.500 -0.010 0.000 0.721 131 K HN 0.198 nan 8.250 nan 0.000 0.447 132 L N -0.385 120.827 121.223 -0.019 0.000 2.013 132 L HA 0.002 4.342 4.340 0.000 0.000 0.204 132 L C 3.250 180.102 176.870 -0.029 0.000 1.081 132 L CA 1.101 55.925 54.840 -0.026 0.000 0.751 132 L CB -0.877 41.163 42.059 -0.031 0.000 0.901 132 L HN 0.370 nan 8.230 nan 0.000 0.440 133 L N -0.242 120.965 121.223 -0.026 0.000 2.085 133 L HA -0.330 4.010 4.340 0.000 0.000 0.218 133 L C 2.182 179.041 176.870 -0.019 0.000 1.080 133 L CA 3.037 57.863 54.840 -0.024 0.000 0.776 133 L CB -2.050 40.001 42.059 -0.014 0.000 0.891 133 L HN 0.484 nan 8.230 nan 0.000 0.437 134 N N -1.319 117.372 118.700 -0.015 0.000 2.216 134 N HA -0.154 4.586 4.740 0.000 0.000 0.183 134 N C 1.920 177.422 175.510 -0.013 0.000 1.017 134 N CA 1.327 54.371 53.050 -0.010 0.000 0.861 134 N CB -0.032 38.450 38.487 -0.007 0.000 0.986 134 N HN 0.785 nan 8.380 nan 0.000 0.428 135 E N 0.215 120.404 120.200 -0.018 0.000 2.021 135 E HA 0.083 4.433 4.350 0.000 0.000 0.189 135 E C 1.832 178.416 176.600 -0.028 0.000 0.980 135 E CA 1.373 57.761 56.400 -0.020 0.000 0.803 135 E CB -0.674 29.014 29.700 -0.021 0.000 0.766 135 E HN 0.308 nan 8.360 nan 0.000 0.449 136 A N 1.317 124.112 122.820 -0.042 0.000 1.892 136 A HA -0.188 4.132 4.320 0.000 0.000 0.218 136 A C 2.484 180.038 177.584 -0.050 0.000 1.188 136 A CA 2.583 54.583 52.037 -0.062 0.000 0.631 136 A CB -1.384 17.559 19.000 -0.095 0.000 0.822 136 A HN 0.446 nan 8.150 nan 0.000 0.447 137 A N -1.030 121.770 122.820 -0.033 0.000 2.139 137 A HA -0.030 4.290 4.320 0.000 0.000 0.221 137 A C 2.315 179.895 177.584 -0.006 0.000 1.159 137 A CA 2.576 54.605 52.037 -0.013 0.000 0.662 137 A CB -0.840 18.157 19.000 -0.005 0.000 0.796 137 A HN 0.822 nan 8.150 nan 0.000 0.463 138 R N -0.520 119.974 120.500 -0.010 0.000 2.140 138 R HA 0.401 4.741 4.340 0.000 0.000 0.213 138 R C 1.931 178.228 176.300 -0.006 0.000 1.059 138 R CA 1.130 57.227 56.100 -0.005 0.000 1.000 138 R CB -1.016 29.281 30.300 -0.005 0.000 0.910 138 R HN 0.549 nan 8.270 nan 0.000 0.455 139 L N 0.400 121.612 121.223 -0.017 0.000 2.307 139 L HA 0.206 4.546 4.340 0.000 0.000 0.211 139 L C -0.170 176.688 176.870 -0.020 0.000 1.099 139 L CA 0.330 55.158 54.840 -0.020 0.000 0.816 139 L CB 0.563 42.603 42.059 -0.032 0.000 0.952 139 L HN 0.089 nan 8.230 nan 0.000 0.455 140 V N -0.195 119.704 119.914 -0.025 0.000 2.350 140 V HA 0.339 4.460 4.120 0.000 0.000 0.285 140 V C -2.414 173.700 176.094 0.033 0.000 1.014 140 V CA -1.927 60.368 62.300 -0.007 0.000 0.831 140 V CB 0.912 32.695 31.823 -0.066 0.000 1.000 140 V HN -0.071 nan 8.190 nan 0.000 0.433 141 P HA 0.225 nan 4.420 nan 0.000 0.263 141 P C -0.199 177.125 177.300 0.041 0.000 1.195 141 P CA 0.347 63.473 63.100 0.043 0.000 0.762 141 P CB 0.242 31.972 31.700 0.051 0.000 0.799 142 M N 3.000 122.609 119.600 0.016 0.000 3.287 142 M HA 0.394 4.874 4.480 0.000 0.000 0.336 142 M C 0.216 176.483 176.300 -0.055 0.000 1.573 142 M CA -0.070 55.223 55.300 -0.012 0.000 0.609 142 M CB 0.853 33.460 32.600 0.012 0.000 1.421 142 M HN 0.371 nan 8.290 nan 0.000 0.476 143 G N -0.280 108.475 108.800 -0.074 0.000 2.727 143 G HA2 0.767 4.727 3.960 0.000 0.000 0.289 143 G HA3 0.767 4.727 3.960 0.000 0.000 0.289 143 G C -1.429 173.397 174.900 -0.124 0.000 1.418 143 G CA -0.512 44.555 45.100 -0.055 0.000 0.818 143 G HN 0.143 nan 8.290 nan 0.000 0.486 144 F N -0.516 119.431 119.950 -0.005 0.000 2.375 144 F HA 0.595 5.122 4.527 0.000 0.000 0.313 144 F C 0.857 176.661 175.800 0.008 0.000 1.176 144 F CA 0.138 58.131 58.000 -0.011 0.000 1.142 144 F CB 1.795 40.788 39.000 -0.011 0.000 1.275 144 F HN 0.371 nan 8.300 nan 0.000 0.544 145 V N -2.251 117.797 119.914 0.223 0.000 3.098 145 V HA 0.430 4.551 4.120 0.000 0.000 0.294 145 V C -0.427 175.754 176.094 0.145 0.000 1.351 145 V CA -1.085 61.308 62.300 0.154 0.000 0.999 145 V CB 0.720 32.632 31.823 0.147 0.000 1.104 145 V HN 0.897 nan 8.190 nan 0.000 0.438 146 T N 1.483 116.107 114.554 0.118 0.000 2.795 146 T HA 0.528 4.878 4.350 0.000 0.000 0.314 146 T C 1.489 176.264 174.700 0.126 0.000 1.069 146 T CA 0.812 62.970 62.100 0.097 0.000 1.071 146 T CB 1.291 70.201 68.868 0.070 0.000 0.988 146 T HN 2.018 nan 8.240 nan 0.000 0.543 147 A N 2.499 125.383 122.820 0.106 0.000 1.898 147 A HA 0.225 4.545 4.320 0.000 0.000 0.216 147 A C 2.750 180.441 177.584 0.178 0.000 1.181 147 A CA 1.864 53.979 52.037 0.130 0.000 0.620 147 A CB -1.533 17.513 19.000 0.077 0.000 0.819 147 A HN 1.306 nan 8.150 nan 0.000 0.442 148 A N -0.152 122.744 122.820 0.128 0.000 1.883 148 A HA -0.250 4.070 4.320 0.000 0.000 0.217 148 A C 1.951 179.640 177.584 0.175 0.000 1.186 148 A CA 1.995 54.117 52.037 0.141 0.000 0.624 148 A CB -0.703 18.354 19.000 0.096 0.000 0.822 148 A HN 0.502 nan 8.150 nan 0.000 0.444 149 D N -1.354 119.133 120.400 0.146 0.000 2.190 149 D HA -0.175 4.465 4.640 0.000 0.000 0.200 149 D C 1.600 178.001 176.300 0.169 0.000 0.992 149 D CA 1.257 55.335 54.000 0.130 0.000 0.854 149 D CB -0.213 40.655 40.800 0.114 0.000 0.936 149 D HN 0.362 nan 8.370 nan 0.000 0.462 150 F N 1.484 121.483 119.950 0.081 0.000 2.014 150 F HA -0.193 4.334 4.527 -0.000 0.000 0.295 150 F C 2.384 178.243 175.800 0.098 0.000 1.145 150 F CA 1.994 60.038 58.000 0.072 0.000 1.178 150 F CB -1.309 37.729 39.000 0.063 0.000 0.972 150 F HN 0.036 nan 8.300 nan 0.000 0.476 151 H N 0.103 119.140 119.070 -0.055 0.000 2.509 151 H HA -0.313 4.243 4.556 0.000 0.000 0.293 151 H C 2.028 177.268 175.328 -0.147 0.000 1.125 151 H CA 2.945 58.905 56.048 -0.147 0.000 1.188 151 H CB -0.549 29.208 29.762 -0.008 0.000 1.349 151 H HN 0.369 nan 8.280 nan 0.000 0.528 152 M N 0.148 119.645 119.600 -0.171 0.000 2.074 152 M HA -0.016 4.464 4.480 0.000 0.000 0.258 152 M C 2.664 178.830 176.300 -0.224 0.000 1.083 152 M CA 2.069 57.239 55.300 -0.216 0.000 1.128 152 M CB -1.153 31.392 32.600 -0.092 0.000 1.301 152 M HN 0.385 nan 8.290 nan 0.000 0.417 153 R N 0.647 121.040 120.500 -0.178 0.000 2.244 153 R HA -0.169 4.171 4.340 0.000 0.000 0.252 153 R C 2.606 178.759 176.300 -0.244 0.000 1.177 153 R CA 2.265 58.263 56.100 -0.169 0.000 1.004 153 R CB -0.874 29.364 30.300 -0.103 0.000 0.873 153 R HN 0.791 nan 8.270 nan 0.000 0.469 154 R N 0.317 120.586 120.500 -0.386 0.000 2.062 154 R HA 0.026 4.366 4.340 0.000 0.000 0.226 154 R C 2.173 178.348 176.300 -0.208 0.000 1.125 154 R CA 1.610 57.498 56.100 -0.353 0.000 0.966 154 R CB -1.211 28.798 30.300 -0.486 0.000 0.861 154 R HN 0.227 nan 8.270 nan 0.000 0.433 155 S N 0.438 115.999 115.700 -0.232 0.000 2.447 155 S HA 0.029 4.499 4.470 0.000 0.000 0.233 155 S C 1.837 176.361 174.600 -0.126 0.000 1.006 155 S CA 0.894 58.988 58.200 -0.177 0.000 0.957 155 S CB 0.051 63.096 63.200 -0.258 0.000 0.773 155 S HN 0.867 nan 8.310 nan 0.000 0.507 156 E N 0.815 120.940 120.200 -0.125 0.000 2.379 156 E HA 0.548 4.898 4.350 0.000 0.000 0.209 156 E C 0.018 176.580 176.600 -0.064 0.000 1.284 156 E CA 0.357 56.706 56.400 -0.084 0.000 1.333 156 E CB -1.317 28.336 29.700 -0.078 0.000 1.307 156 E HN 0.584 nan 8.360 nan 0.000 0.441 157 L N 0.029 121.215 121.223 -0.062 0.000 2.334 157 L HA 0.839 5.179 4.340 0.000 0.000 0.276 157 L C 0.494 177.345 176.870 -0.032 0.000 1.014 157 L CA -1.123 53.691 54.840 -0.044 0.000 0.815 157 L CB 1.014 43.045 42.059 -0.046 0.000 1.268 157 L HN 0.376 nan 8.230 nan 0.000 0.428 158 I N 0.679 121.236 120.570 -0.021 0.000 2.754 158 I HA 0.327 4.497 4.170 0.000 0.000 0.285 158 I C 0.088 176.196 176.117 -0.015 0.000 1.166 158 I CA 0.043 61.334 61.300 -0.016 0.000 1.417 158 I CB 0.678 38.672 38.000 -0.010 0.000 1.382 158 I HN 0.672 nan 8.210 nan 0.000 0.588 159 C N 6.625 125.916 119.300 -0.016 0.000 2.356 159 C HA 0.471 4.931 4.460 0.000 0.000 0.324 159 C C 0.256 175.234 174.990 -0.019 0.000 1.167 159 C CA -0.730 58.280 59.018 -0.014 0.000 1.420 159 C CB -0.018 27.716 27.740 -0.011 0.000 2.036 159 C HN 0.554 nan 8.230 nan 0.000 0.435 160 L N 2.128 123.338 121.223 -0.022 0.000 2.466 160 L HA 0.476 4.816 4.340 0.000 0.000 0.257 160 L C 0.852 177.699 176.870 -0.037 0.000 1.189 160 L CA 0.408 55.226 54.840 -0.037 0.000 0.813 160 L CB 0.649 42.686 42.059 -0.037 0.000 1.118 160 L HN 0.550 nan 8.230 nan 0.000 0.471 161 T N -1.209 113.311 114.554 -0.057 0.000 2.888 161 T HA 0.260 4.611 4.350 0.000 0.000 0.284 161 T C 0.963 175.637 174.700 -0.043 0.000 1.017 161 T CA -0.119 61.956 62.100 -0.041 0.000 1.022 161 T CB 1.390 70.240 68.868 -0.031 0.000 1.013 161 T HN 0.839 nan 8.240 nan 0.000 0.465 162 T N 1.159 115.702 114.554 -0.018 0.000 2.770 162 T HA 0.250 4.600 4.350 0.000 0.000 0.263 162 T C 1.639 176.346 174.700 0.010 0.000 1.039 162 T CA 1.217 63.303 62.100 -0.024 0.000 1.142 162 T CB -0.536 68.302 68.868 -0.050 0.000 0.868 162 T HN 1.466 nan 8.240 nan 0.000 0.435 163 G N 0.411 109.244 108.800 0.056 0.000 2.175 163 G HA2 -0.084 3.876 3.960 0.000 0.000 0.182 163 G HA3 -0.084 3.876 3.960 0.000 0.000 0.182 163 G C 0.149 175.103 174.900 0.090 0.000 1.003 163 G CA 0.231 45.417 45.100 0.144 0.000 0.666 163 G HN 1.264 nan 8.290 nan 0.000 0.506 164 S N -0.012 115.718 115.700 0.050 0.000 2.756 164 S HA 0.587 5.057 4.470 0.000 0.000 0.303 164 S C 1.393 176.025 174.600 0.052 0.000 1.135 164 S CA 0.250 58.486 58.200 0.060 0.000 1.066 164 S CB 1.156 64.393 63.200 0.062 0.000 1.008 164 S HN 0.292 nan 8.310 nan 0.000 0.482 165 K N 3.391 123.821 120.400 0.051 0.000 2.032 165 K HA -0.214 4.106 4.320 0.000 0.000 0.218 165 K C 1.628 178.253 176.600 0.041 0.000 1.054 165 K CA 2.210 58.522 56.287 0.041 0.000 0.941 165 K CB -0.374 32.147 32.500 0.035 0.000 0.720 165 K HN 0.664 nan 8.250 nan 0.000 0.449 166 N N 1.043 119.775 118.700 0.053 0.000 2.094 166 N HA -0.201 4.539 4.740 0.000 0.000 0.191 166 N C 1.889 177.430 175.510 0.051 0.000 1.023 166 N CA 1.134 54.216 53.050 0.053 0.000 0.857 166 N CB -0.307 38.222 38.487 0.070 0.000 1.013 166 N HN 0.074 nan 8.380 nan 0.000 0.426 167 L N 2.052 123.311 121.223 0.060 0.000 2.007 167 L HA -0.097 4.243 4.340 0.000 0.000 0.205 167 L C 1.699 178.580 176.870 0.019 0.000 1.073 167 L CA 1.758 56.621 54.840 0.038 0.000 0.744 167 L CB -0.788 41.272 42.059 0.001 0.000 0.898 167 L HN -0.014 nan 8.230 nan 0.000 0.435 168 D N -0.903 119.507 120.400 0.017 0.000 2.127 168 D HA -0.233 4.407 4.640 0.000 0.000 0.190 168 D C 1.989 178.298 176.300 0.016 0.000 1.000 168 D CA 2.175 56.183 54.000 0.014 0.000 0.839 168 D CB -0.626 40.184 40.800 0.017 0.000 0.955 168 D HN 0.338 nan 8.370 nan 0.000 0.446 169 T N 1.006 115.572 114.554 0.019 0.000 2.760 169 T HA -0.188 4.162 4.350 0.000 0.000 0.269 169 T C 1.800 176.509 174.700 0.016 0.000 1.047 169 T CA 0.706 62.816 62.100 0.017 0.000 1.139 169 T CB -0.249 68.630 68.868 0.019 0.000 0.855 169 T HN 0.019 nan 8.240 nan 0.000 0.471 170 L N 0.156 121.389 121.223 0.016 0.000 2.209 170 L HA 0.299 4.639 4.340 0.000 0.000 0.207 170 L C 1.830 178.708 176.870 0.013 0.000 1.094 170 L CA 1.277 56.125 54.840 0.012 0.000 0.790 170 L CB -0.349 41.715 42.059 0.008 0.000 0.932 170 L HN 0.245 nan 8.230 nan 0.000 0.447 171 L N -0.568 120.664 121.223 0.015 0.000 2.599 171 L HA 0.200 4.540 4.340 0.000 0.000 0.230 171 L C 1.328 178.207 176.870 0.015 0.000 1.141 171 L CA 0.653 55.503 54.840 0.017 0.000 0.877 171 L CB -0.652 41.417 42.059 0.017 0.000 1.009 171 L HN 0.529 nan 8.230 nan 0.000 0.447 172 G N -0.364 108.445 108.800 0.014 0.000 2.132 172 G HA2 -0.165 3.795 3.960 0.000 0.000 0.228 172 G HA3 -0.165 3.795 3.960 0.000 0.000 0.228 172 G C 0.739 175.644 174.900 0.008 0.000 1.000 172 G CA 0.101 45.208 45.100 0.012 0.000 0.693 172 G HN 0.588 nan 8.290 nan 0.000 0.515 173 G N -2.352 106.453 108.800 0.008 0.000 2.797 173 G HA2 0.546 4.506 3.960 0.000 0.000 0.195 173 G HA3 0.546 4.506 3.960 0.000 0.000 0.195 173 G C 1.371 176.273 174.900 0.003 0.000 1.026 173 G CA 1.052 46.154 45.100 0.005 0.000 0.759 173 G HN 2.769 nan 8.290 nan 0.000 0.475 174 G N -1.529 107.274 108.800 0.004 0.000 2.350 174 G HA2 0.503 4.463 3.960 0.000 0.000 0.282 174 G HA3 0.503 4.463 3.960 0.000 0.000 0.282 174 G C -0.123 174.779 174.900 0.003 0.000 1.314 174 G CA 0.452 45.552 45.100 0.001 0.000 0.915 174 G HN 1.821 nan 8.290 nan 0.000 0.499 175 V N -1.013 118.901 119.914 0.000 0.000 2.529 175 V HA 0.603 4.723 4.120 0.000 0.000 0.292 175 V C 0.516 176.611 176.094 0.001 0.000 1.028 175 V CA 0.112 62.415 62.300 0.005 0.000 1.074 175 V CB 1.108 32.931 31.823 0.002 0.000 0.958 175 V HN 0.841 nan 8.190 nan 0.000 0.481 176 E N 3.584 123.787 120.200 0.006 0.000 2.366 176 E HA 0.397 4.748 4.350 0.000 0.000 0.266 176 E C 0.436 177.038 176.600 0.003 0.000 1.051 176 E CA -0.075 56.326 56.400 0.002 0.000 0.884 176 E CB 1.075 30.778 29.700 0.005 0.000 1.006 176 E HN 1.055 nan 8.360 nan 0.000 0.417 177 T N -0.228 114.327 114.554 0.001 0.000 2.897 177 T HA 0.531 4.882 4.350 0.000 0.000 0.278 177 T C 1.096 175.801 174.700 0.008 0.000 0.981 177 T CA -0.047 62.058 62.100 0.007 0.000 0.973 177 T CB 1.497 70.371 68.868 0.011 0.000 1.092 177 T HN 0.688 nan 8.240 nan 0.000 0.543 178 G N 0.424 109.235 108.800 0.018 0.000 2.284 178 G HA2 -0.236 3.724 3.960 0.000 0.000 0.261 178 G HA3 -0.236 3.724 3.960 0.000 0.000 0.261 178 G C 0.265 175.174 174.900 0.015 0.000 0.997 178 G CA 0.701 45.813 45.100 0.021 0.000 0.621 178 G HN 1.843 nan 8.290 nan 0.000 0.534 179 S N -0.659 115.047 115.700 0.010 0.000 2.599 179 S HA 0.802 5.272 4.470 0.000 0.000 0.294 179 S C -0.151 174.450 174.600 0.002 0.000 1.094 179 S CA -0.976 57.228 58.200 0.006 0.000 0.931 179 S CB 2.424 65.632 63.200 0.013 0.000 1.093 179 S HN 0.578 nan 8.310 nan 0.000 0.488 180 I N 1.685 122.254 120.570 -0.003 0.000 2.638 180 I HA 0.330 4.500 4.170 0.000 0.000 0.286 180 I C -0.050 176.076 176.117 0.015 0.000 1.088 180 I CA 0.099 61.399 61.300 0.000 0.000 1.397 180 I CB 1.397 39.396 38.000 -0.003 0.000 1.414 180 I HN 0.681 nan 8.210 nan 0.000 0.566 181 T N 5.087 119.653 114.554 0.019 0.000 3.011 181 T HA 0.193 4.544 4.350 0.000 0.000 0.303 181 T C -0.746 173.979 174.700 0.043 0.000 0.997 181 T CA -0.611 61.510 62.100 0.036 0.000 1.007 181 T CB 1.286 70.169 68.868 0.026 0.000 1.017 181 T HN 0.586 nan 8.240 nan 0.000 0.443 182 E N 4.183 124.432 120.200 0.082 0.000 2.156 182 E HA 0.507 4.857 4.350 0.000 0.000 0.279 182 E C -1.065 175.624 176.600 0.147 0.000 0.965 182 E CA -0.681 55.787 56.400 0.114 0.000 0.789 182 E CB 0.779 30.573 29.700 0.158 0.000 1.098 182 E HN 0.503 nan 8.360 nan 0.000 0.397 183 L N 6.549 127.809 121.223 0.062 0.000 2.298 183 L HA 0.493 4.833 4.340 0.000 0.000 0.284 183 L C -0.773 176.088 176.870 -0.015 0.000 1.013 183 L CA -0.935 53.846 54.840 -0.098 0.000 0.824 183 L CB 0.366 42.252 42.059 -0.289 0.000 1.221 183 L HN 0.519 nan 8.230 nan 0.000 0.418 184 F N 1.131 121.062 119.950 -0.033 0.000 2.599 184 F HA 1.011 5.537 4.527 -0.001 0.000 0.311 184 F C -0.017 175.828 175.800 0.075 0.000 1.076 184 F CA -0.827 57.173 58.000 0.001 0.000 0.937 184 F CB 2.025 41.049 39.000 0.040 0.000 1.282 184 F HN 0.489 nan 8.300 nan 0.000 0.460 185 G N 0.853 109.841 108.800 0.313 0.000 2.315 185 G HA2 0.308 4.268 3.960 0.000 0.000 0.294 185 G HA3 0.308 4.268 3.960 0.000 0.000 0.294 185 G C -1.958 173.058 174.900 0.193 0.000 1.300 185 G CA -1.072 44.184 45.100 0.260 0.000 0.843 185 G HN 0.804 nan 8.290 nan 0.000 0.527 186 E N -0.577 119.726 120.200 0.172 0.000 2.392 186 E HA 0.331 4.681 4.350 0.000 0.000 0.256 186 E C -0.331 176.372 176.600 0.172 0.000 1.145 186 E CA -0.483 56.021 56.400 0.173 0.000 0.929 186 E CB 1.188 30.979 29.700 0.153 0.000 0.998 186 E HN 0.319 nan 8.360 nan 0.000 0.442 187 F N 1.138 121.124 119.950 0.059 0.000 2.646 187 F HA -0.124 4.405 4.527 0.003 0.000 0.363 187 F C 1.133 176.965 175.800 0.054 0.000 1.143 187 F CA 0.788 58.820 58.000 0.052 0.000 1.356 187 F CB 0.214 39.239 39.000 0.042 0.000 1.055 187 F HN 0.467 nan 8.300 nan 0.000 0.606 188 R N 1.193 121.354 120.500 -0.565 0.000 3.301 188 R HA -0.195 4.145 4.340 0.000 0.000 0.249 188 R C 0.401 176.658 176.300 -0.071 0.000 0.964 188 R CA 0.915 56.843 56.100 -0.286 0.000 0.653 188 R CB -2.042 28.188 30.300 -0.116 0.000 1.043 188 R HN 0.776 nan 8.270 nan 0.000 0.454 189 T N -3.538 110.996 114.554 -0.034 0.000 3.214 189 T HA 0.399 4.749 4.350 0.000 0.000 0.264 189 T C 1.128 175.921 174.700 0.156 0.000 1.012 189 T CA 0.200 62.339 62.100 0.065 0.000 0.901 189 T CB 1.279 70.216 68.868 0.115 0.000 1.070 189 T HN 0.631 nan 8.240 nan 0.000 0.561 190 G N 1.542 110.408 108.800 0.110 0.000 2.130 190 G HA2 -0.246 3.714 3.960 0.000 0.000 0.216 190 G HA3 -0.246 3.714 3.960 0.000 0.000 0.216 190 G C 0.610 175.612 174.900 0.169 0.000 0.999 190 G CA 0.316 45.568 45.100 0.253 0.000 0.686 190 G HN 0.551 nan 8.290 nan 0.000 0.515 191 K N 0.122 120.482 120.400 -0.068 0.000 2.057 191 K HA 0.201 4.521 4.320 0.000 0.000 0.209 191 K C 2.618 179.180 176.600 -0.064 0.000 1.028 191 K CA 0.858 57.001 56.287 -0.241 0.000 0.950 191 K CB -0.588 31.724 32.500 -0.313 0.000 0.784 191 K HN 0.203 nan 8.250 nan 0.000 0.448 192 S N 1.210 116.900 115.700 -0.017 0.000 2.407 192 S HA -0.286 4.184 4.470 0.000 0.000 0.244 192 S C 2.081 176.851 174.600 0.284 0.000 1.077 192 S CA 1.863 60.145 58.200 0.137 0.000 1.159 192 S CB -0.352 62.929 63.200 0.135 0.000 1.045 192 S HN 0.226 nan 8.310 nan 0.000 0.438 193 Q N 0.574 120.484 119.800 0.184 0.000 2.133 193 Q HA -0.127 4.214 4.340 0.000 0.000 0.208 193 Q C 2.290 178.423 176.000 0.222 0.000 0.991 193 Q CA 1.592 57.511 55.803 0.192 0.000 0.867 193 Q CB -0.925 27.878 28.738 0.108 0.000 0.911 193 Q HN 0.651 nan 8.270 nan 0.000 0.417 194 L N -0.082 121.211 121.223 0.117 0.000 2.005 194 L HA -0.219 4.121 4.340 0.000 0.000 0.207 194 L C 2.417 179.341 176.870 0.089 0.000 1.072 194 L CA 1.299 56.169 54.840 0.051 0.000 0.744 194 L CB -0.356 41.676 42.059 -0.046 0.000 0.895 194 L HN 0.270 nan 8.230 nan 0.000 0.433 195 C N -0.131 119.211 119.300 0.070 0.000 2.336 195 C HA -0.299 4.161 4.460 0.000 0.000 0.272 195 C C 2.392 177.462 174.990 0.134 0.000 1.160 195 C CA 1.450 60.503 59.018 0.059 0.000 1.783 195 C CB -1.713 26.034 27.740 0.012 0.000 2.050 195 C HN 0.626 nan 8.230 nan 0.000 0.443 196 H N 0.343 119.540 119.070 0.212 0.000 2.261 196 H HA -0.162 4.394 4.556 -0.000 0.000 0.290 196 H C 2.268 177.672 175.328 0.126 0.000 1.081 196 H CA 2.411 58.571 56.048 0.186 0.000 1.196 196 H CB -1.136 28.702 29.762 0.128 0.000 1.350 196 H HN 0.399 nan 8.280 nan 0.000 0.498 197 T N 1.172 115.876 114.554 0.250 0.000 2.427 197 T HA -0.318 4.032 4.350 0.000 0.000 0.244 197 T C 2.190 176.928 174.700 0.063 0.000 1.325 197 T CA 1.896 64.084 62.100 0.147 0.000 1.173 197 T CB -0.865 68.078 68.868 0.124 0.000 0.859 197 T HN 0.200 nan 8.240 nan 0.000 0.415 198 L N 0.604 121.850 121.223 0.038 0.000 2.151 198 L HA -0.316 4.024 4.340 0.000 0.000 0.219 198 L C 2.670 179.551 176.870 0.019 0.000 1.083 198 L CA 1.592 56.434 54.840 0.003 0.000 0.782 198 L CB -0.587 41.476 42.059 0.007 0.000 0.891 198 L HN 0.416 nan 8.230 nan 0.000 0.439 199 A N -1.812 121.056 122.820 0.080 0.000 2.248 199 A HA 0.019 4.339 4.320 0.000 0.000 0.210 199 A C 1.898 179.520 177.584 0.064 0.000 1.174 199 A CA 1.363 53.466 52.037 0.110 0.000 0.750 199 A CB -0.117 18.995 19.000 0.188 0.000 0.780 199 A HN 0.319 nan 8.150 nan 0.000 0.478 200 V N -1.623 118.299 119.914 0.014 0.000 3.102 200 V HA -0.068 4.052 4.120 0.000 0.000 0.225 200 V C 2.299 178.304 176.094 -0.147 0.000 1.301 200 V CA 1.380 63.661 62.300 -0.032 0.000 1.308 200 V CB -0.379 31.452 31.823 0.012 0.000 1.129 200 V HN 0.612 nan 8.190 nan 0.000 0.502 201 T N -0.556 113.842 114.554 -0.260 0.000 3.202 201 T HA -0.192 4.158 4.350 0.000 0.000 0.267 201 T C 1.452 176.036 174.700 -0.193 0.000 1.183 201 T CA 1.201 63.081 62.100 -0.367 0.000 1.055 201 T CB -1.358 67.254 68.868 -0.427 0.000 0.898 201 T HN 0.736 nan 8.240 nan 0.000 0.555 202 C N -0.777 118.453 119.300 -0.116 0.000 2.906 202 C HA 0.373 4.833 4.460 0.000 0.000 0.274 202 C C 2.062 177.011 174.990 -0.069 0.000 1.257 202 C CA -0.615 58.361 59.018 -0.071 0.000 1.695 202 C CB -0.742 26.980 27.740 -0.029 0.000 1.958 202 C HN 0.530 nan 8.230 nan 0.000 0.619 203 Q N 0.623 120.372 119.800 -0.084 0.000 2.384 203 Q HA 0.265 4.605 4.340 0.000 0.000 0.207 203 Q C 0.221 176.178 176.000 -0.072 0.000 0.904 203 Q CA 0.107 55.865 55.803 -0.074 0.000 0.933 203 Q CB 0.413 29.115 28.738 -0.060 0.000 1.077 203 Q HN 0.528 nan 8.270 nan 0.000 0.522 204 I N 2.359 122.869 120.570 -0.100 0.000 2.638 204 I HA 0.127 4.297 4.170 0.000 0.000 0.286 204 I C -2.141 173.943 176.117 -0.055 0.000 1.088 204 I CA -3.190 58.058 61.300 -0.086 0.000 1.397 204 I CB -0.025 37.885 38.000 -0.150 0.000 1.414 204 I HN -0.197 nan 8.210 nan 0.000 0.566 205 P HA 0.055 nan 4.420 nan 0.000 0.260 205 P C 1.121 178.411 177.300 -0.017 0.000 1.185 205 P CA 0.138 63.228 63.100 -0.018 0.000 0.763 205 P CB 0.348 32.045 31.700 -0.004 0.000 0.776 206 L N 2.737 123.949 121.223 -0.018 0.000 2.151 206 L HA -0.321 4.019 4.340 0.000 0.000 0.219 206 L C 1.973 178.837 176.870 -0.011 0.000 1.083 206 L CA 1.936 56.766 54.840 -0.017 0.000 0.782 206 L CB -0.772 41.279 42.059 -0.013 0.000 0.891 206 L HN 0.498 nan 8.230 nan 0.000 0.439 207 D N 0.060 120.457 120.400 -0.005 0.000 2.144 207 D HA -0.190 4.450 4.640 0.000 0.000 0.200 207 D C 2.092 178.396 176.300 0.007 0.000 0.978 207 D CA 1.381 55.381 54.000 0.001 0.000 0.833 207 D CB -0.350 40.452 40.800 0.003 0.000 0.961 207 D HN 0.458 nan 8.370 nan 0.000 0.470 208 I N -0.073 120.504 120.570 0.012 0.000 2.406 208 I HA 0.069 4.239 4.170 0.000 0.000 0.249 208 I C 2.215 178.344 176.117 0.020 0.000 1.122 208 I CA 1.469 62.787 61.300 0.030 0.000 1.431 208 I CB 0.025 38.058 38.000 0.055 0.000 1.087 208 I HN 0.324 nan 8.210 nan 0.000 0.424 209 G N -0.646 108.149 108.800 -0.009 0.000 3.758 209 G HA2 -0.023 3.937 3.960 0.000 0.000 0.206 209 G HA3 -0.023 3.937 3.960 0.000 0.000 0.206 209 G C 0.739 175.607 174.900 -0.053 0.000 0.946 209 G CA -0.101 44.983 45.100 -0.027 0.000 0.885 209 G HN 0.447 nan 8.290 nan 0.000 0.392 210 G N -0.125 108.629 108.800 -0.077 0.000 2.447 210 G HA2 0.460 4.420 3.960 0.000 0.000 0.269 210 G HA3 0.460 4.420 3.960 0.000 0.000 0.269 210 G C 1.068 175.935 174.900 -0.054 0.000 1.455 210 G CA 0.621 45.669 45.100 -0.088 0.000 1.061 210 G HN 1.297 nan 8.290 nan 0.000 0.545 211 G N -2.356 106.414 108.800 -0.051 0.000 3.443 211 G HA2 0.384 4.344 3.960 0.000 0.000 0.252 211 G HA3 0.384 4.344 3.960 0.000 0.000 0.252 211 G C 0.366 175.247 174.900 -0.032 0.000 1.015 211 G CA 0.739 45.820 45.100 -0.032 0.000 0.891 211 G HN 0.679 nan 8.290 nan 0.000 0.510 212 E N -1.243 118.931 120.200 -0.044 0.000 3.547 212 E HA -0.184 4.166 4.350 0.000 0.000 0.300 212 E C 1.078 177.643 176.600 -0.059 0.000 0.857 212 E CA 0.421 56.794 56.400 -0.046 0.000 1.039 212 E CB -1.215 28.466 29.700 -0.033 0.000 1.524 212 E HN 0.558 nan 8.360 nan 0.000 0.457 213 G N 0.024 108.788 108.800 -0.060 0.000 2.552 213 G HA2 0.492 4.453 3.960 0.000 0.000 0.324 213 G HA3 0.492 4.453 3.960 0.000 0.000 0.324 213 G C -0.015 174.797 174.900 -0.146 0.000 1.217 213 G CA -0.692 44.352 45.100 -0.093 0.000 0.989 213 G HN -0.096 nan 8.290 nan 0.000 0.490 214 K N -1.640 118.570 120.400 -0.318 0.000 2.545 214 K HA 0.389 4.709 4.320 0.000 0.000 0.269 214 K C -0.604 175.930 176.600 -0.110 0.000 1.071 214 K CA -0.033 56.002 56.287 -0.420 0.000 0.919 214 K CB 0.584 32.436 32.500 -1.079 0.000 1.169 214 K HN 0.421 nan 8.250 nan 0.000 0.493 215 C N 0.856 120.188 119.300 0.053 0.000 2.752 215 C HA 0.450 4.910 4.460 0.000 0.000 0.360 215 C C -1.449 173.746 174.990 0.341 0.000 1.081 215 C CA -0.871 58.302 59.018 0.259 0.000 1.272 215 C CB 0.267 28.093 27.740 0.143 0.000 1.754 215 C HN 0.647 nan 8.230 nan 0.000 0.483 216 L N 5.823 127.190 121.223 0.240 0.000 2.265 216 L HA 0.579 4.919 4.340 0.000 0.000 0.289 216 L C -1.192 175.693 176.870 0.025 0.000 1.033 216 L CA -0.126 54.760 54.840 0.076 0.000 0.814 216 L CB 0.862 42.837 42.059 -0.140 0.000 1.203 216 L HN 0.777 nan 8.230 nan 0.000 0.423 217 Y N 6.002 126.237 120.300 -0.108 0.000 2.338 217 Y HA 0.526 5.076 4.550 -0.000 0.000 0.328 217 Y C -0.654 175.072 175.900 -0.290 0.000 0.965 217 Y CA -0.748 57.229 58.100 -0.205 0.000 1.208 217 Y CB 1.032 39.309 38.460 -0.303 0.000 1.132 217 Y HN 0.426 nan 8.280 nan 0.000 0.469 218 I N 5.692 126.068 120.570 -0.323 0.000 2.312 218 I HA 0.167 4.338 4.170 0.000 0.000 0.290 218 I C -0.912 175.047 176.117 -0.265 0.000 1.008 218 I CA -0.375 60.769 61.300 -0.260 0.000 1.226 218 I CB 1.071 38.966 38.000 -0.174 0.000 1.371 218 I HN 0.598 nan 8.210 nan 0.000 0.468 219 D N 3.941 124.227 120.400 -0.190 0.000 2.408 219 D HA 0.232 4.872 4.640 0.000 0.000 0.243 219 D C 0.861 177.122 176.300 -0.066 0.000 1.075 219 D CA -0.422 53.562 54.000 -0.026 0.000 0.832 219 D CB 1.517 42.415 40.800 0.165 0.000 1.162 219 D HN 0.604 nan 8.370 nan 0.000 0.515 220 T N 0.817 115.351 114.554 -0.034 0.000 2.953 220 T HA -0.017 4.333 4.350 0.000 0.000 0.247 220 T C 1.336 176.027 174.700 -0.015 0.000 1.029 220 T CA 0.189 62.261 62.100 -0.048 0.000 1.144 220 T CB -0.153 68.694 68.868 -0.036 0.000 0.870 220 T HN 0.260 nan 8.240 nan 0.000 0.446 221 E N 2.220 122.447 120.200 0.046 0.000 2.013 221 E HA 0.050 4.400 4.350 0.000 0.000 0.202 221 E C 1.975 178.618 176.600 0.072 0.000 1.018 221 E CA 1.749 58.196 56.400 0.078 0.000 0.834 221 E CB -0.922 28.864 29.700 0.144 0.000 0.770 221 E HN 0.782 nan 8.360 nan 0.000 0.459 222 G N -0.076 108.801 108.800 0.128 0.000 2.321 222 G HA2 -0.188 3.773 3.960 0.000 0.000 0.174 222 G HA3 -0.188 3.773 3.960 0.000 0.000 0.174 222 G C 0.780 175.789 174.900 0.182 0.000 1.008 222 G CA 0.598 45.780 45.100 0.137 0.000 0.739 222 G HN 0.342 nan 8.290 nan 0.000 0.502 223 T N -1.468 113.217 114.554 0.218 0.000 3.272 223 T HA 0.472 4.822 4.350 0.000 0.000 0.250 223 T C 0.349 175.203 174.700 0.256 0.000 1.082 223 T CA -0.342 61.882 62.100 0.206 0.000 0.968 223 T CB -0.216 68.776 68.868 0.206 0.000 1.015 223 T HN 0.545 nan 8.240 nan 0.000 0.563 224 F N 2.857 122.891 119.950 0.139 0.000 2.371 224 F HA 0.688 5.214 4.527 -0.000 0.000 0.363 224 F C -0.310 175.449 175.800 -0.068 0.000 1.122 224 F CA -1.628 56.417 58.000 0.074 0.000 1.129 224 F CB 0.581 39.660 39.000 0.132 0.000 1.173 224 F HN -0.126 nan 8.300 nan 0.000 0.489 225 R N 7.408 127.501 120.500 -0.679 0.000 2.393 225 R HA 0.411 4.751 4.340 0.000 0.000 0.315 225 R C -2.046 173.796 176.300 -0.764 0.000 0.952 225 R CA -2.736 53.010 56.100 -0.590 0.000 0.842 225 R CB 1.026 31.147 30.300 -0.298 0.000 1.163 225 R HN 0.321 nan 8.270 nan 0.000 0.450 226 P HA -0.099 nan 4.420 nan 0.000 0.215 226 P C 0.879 178.015 177.300 -0.273 0.000 1.157 226 P CA 0.563 63.382 63.100 -0.468 0.000 0.859 226 P CB 0.231 31.776 31.700 -0.259 0.000 0.786 227 V N 0.408 120.194 119.914 -0.214 0.000 2.277 227 V HA -0.360 3.760 4.120 0.000 0.000 0.261 227 V C 2.239 178.255 176.094 -0.130 0.000 1.091 227 V CA 2.388 64.602 62.300 -0.143 0.000 1.090 227 V CB -1.520 30.225 31.823 -0.130 0.000 0.704 227 V HN 0.096 nan 8.190 nan 0.000 0.455 228 R N -0.707 119.689 120.500 -0.172 0.000 2.369 228 R HA 0.085 4.425 4.340 0.000 0.000 0.200 228 R C 1.798 178.042 176.300 -0.094 0.000 1.046 228 R CA 0.539 56.550 56.100 -0.149 0.000 1.057 228 R CB -0.187 29.977 30.300 -0.228 0.000 0.888 228 R HN 0.575 nan 8.270 nan 0.000 0.474 229 L N -1.278 119.906 121.223 -0.064 0.000 2.467 229 L HA -0.002 4.338 4.340 0.000 0.000 0.213 229 L C 2.115 178.997 176.870 0.021 0.000 1.053 229 L CA 0.160 55.006 54.840 0.010 0.000 0.847 229 L CB -0.140 41.937 42.059 0.030 0.000 1.075 229 L HN 0.074 nan 8.230 nan 0.000 0.479 230 V N -1.937 117.974 119.914 -0.005 0.000 2.215 230 V HA -0.338 3.782 4.120 0.000 0.000 0.249 230 V C 2.398 178.500 176.094 0.014 0.000 1.054 230 V CA 2.408 64.710 62.300 0.003 0.000 1.012 230 V CB -1.534 30.281 31.823 -0.013 0.000 0.639 230 V HN 0.462 nan 8.190 nan 0.000 0.448 231 S N 1.424 117.123 115.700 -0.000 0.000 2.421 231 S HA -0.217 4.253 4.470 0.000 0.000 0.239 231 S C 1.805 176.419 174.600 0.023 0.000 1.054 231 S CA 2.436 60.637 58.200 0.002 0.000 1.035 231 S CB -0.880 62.315 63.200 -0.008 0.000 0.840 231 S HN 0.739 nan 8.310 nan 0.000 0.475 232 I N 1.408 122.013 120.570 0.058 0.000 2.429 232 I HA 0.003 4.173 4.170 0.000 0.000 0.247 232 I C 2.877 179.113 176.117 0.198 0.000 1.099 232 I CA 0.778 62.156 61.300 0.130 0.000 1.422 232 I CB -0.879 37.216 38.000 0.158 0.000 1.112 232 I HN 0.295 nan 8.210 nan 0.000 0.430 233 A N 0.965 123.873 122.820 0.145 0.000 1.873 233 A HA -0.302 4.018 4.320 0.000 0.000 0.218 233 A C 2.282 179.945 177.584 0.132 0.000 1.193 233 A CA 1.980 54.105 52.037 0.148 0.000 0.629 233 A CB -0.940 18.108 19.000 0.080 0.000 0.826 233 A HN 0.468 nan 8.150 nan 0.000 0.447 234 Q N -1.235 118.603 119.800 0.064 0.000 2.082 234 Q HA -0.301 4.039 4.340 0.000 0.000 0.211 234 Q C 2.359 178.353 176.000 -0.011 0.000 1.002 234 Q CA 2.120 57.937 55.803 0.022 0.000 0.868 234 Q CB -0.325 28.411 28.738 -0.003 0.000 0.931 234 Q HN 0.697 nan 8.270 nan 0.000 0.414 235 R N -0.318 120.149 120.500 -0.055 0.000 2.211 235 R HA -0.167 4.174 4.340 0.000 0.000 0.240 235 R C 0.958 177.040 176.300 -0.363 0.000 1.144 235 R CA 1.296 57.255 56.100 -0.235 0.000 0.992 235 R CB -0.019 30.075 30.300 -0.342 0.000 0.869 235 R HN 0.244 nan 8.270 nan 0.000 0.462 236 F N -0.580 119.364 119.950 -0.011 0.000 2.682 236 F HA 0.319 4.845 4.527 -0.000 0.000 0.308 236 F C 0.683 176.477 175.800 -0.010 0.000 1.093 236 F CA 0.284 58.279 58.000 -0.009 0.000 1.244 236 F CB 1.310 40.307 39.000 -0.004 0.000 1.052 236 F HN 0.139 nan 8.300 nan 0.000 0.573 237 G N 2.382 111.244 108.800 0.104 0.000 2.883 237 G HA2 -0.186 3.774 3.960 0.000 0.000 0.219 237 G HA3 -0.186 3.774 3.960 0.000 0.000 0.219 237 G C -1.046 173.895 174.900 0.068 0.000 0.908 237 G CA -0.438 44.699 45.100 0.062 0.000 0.978 237 G HN 0.281 nan 8.290 nan 0.000 0.365 238 L N 2.332 123.586 121.223 0.050 0.000 2.705 238 L HA 0.221 4.561 4.340 0.000 0.000 0.260 238 L C -0.562 176.322 176.870 0.024 0.000 0.921 238 L CA -1.247 53.615 54.840 0.038 0.000 0.948 238 L CB 1.798 43.887 42.059 0.049 0.000 1.427 238 L HN 0.422 nan 8.230 nan 0.000 0.432 239 D N 4.816 125.224 120.400 0.013 0.000 2.433 239 D HA 0.004 4.644 4.640 0.000 0.000 0.274 239 D C -1.638 174.667 176.300 0.008 0.000 1.344 239 D CA -0.712 53.292 54.000 0.007 0.000 0.989 239 D CB 1.091 41.892 40.800 0.002 0.000 1.116 239 D HN 0.216 nan 8.370 nan 0.000 0.533 240 P HA -0.242 nan 4.420 nan 0.000 0.207 240 P C 1.185 178.487 177.300 0.003 0.000 0.954 240 P CA 1.202 64.307 63.100 0.008 0.000 0.990 240 P CB 0.012 31.714 31.700 0.003 0.000 0.721 241 D N -1.150 119.249 120.400 -0.001 0.000 2.381 241 D HA -0.260 4.380 4.640 0.000 0.000 0.212 241 D C 1.335 177.635 176.300 -0.000 0.000 0.988 241 D CA 1.527 55.525 54.000 -0.002 0.000 0.942 241 D CB -0.773 40.024 40.800 -0.004 0.000 0.882 241 D HN 0.294 nan 8.370 nan 0.000 0.480 242 D N 0.554 120.954 120.400 -0.000 0.000 2.369 242 D HA 0.055 4.695 4.640 0.000 0.000 0.231 242 D C 2.114 178.411 176.300 -0.004 0.000 0.967 242 D CA 1.178 55.176 54.000 -0.003 0.000 0.905 242 D CB 0.051 40.848 40.800 -0.005 0.000 1.044 242 D HN 0.165 nan 8.370 nan 0.000 0.487 243 A N 1.438 124.259 122.820 0.002 0.000 1.908 243 A HA -0.110 4.210 4.320 0.000 0.000 0.218 243 A C 2.584 180.176 177.584 0.013 0.000 1.181 243 A CA 1.207 53.247 52.037 0.005 0.000 0.627 243 A CB -0.845 18.166 19.000 0.019 0.000 0.818 243 A HN 0.362 nan 8.150 nan 0.000 0.445 244 L N -0.482 120.752 121.223 0.018 0.000 2.046 244 L HA -0.175 4.165 4.340 0.000 0.000 0.208 244 L C 2.249 179.136 176.870 0.028 0.000 1.077 244 L CA 1.382 56.240 54.840 0.030 0.000 0.747 244 L CB -0.819 41.251 42.059 0.019 0.000 0.896 244 L HN 0.435 nan 8.230 nan 0.000 0.432 245 N N 0.640 119.348 118.700 0.013 0.000 2.651 245 N HA -0.154 4.586 4.740 0.000 0.000 0.193 245 N C 0.627 176.133 175.510 -0.007 0.000 1.149 245 N CA 0.611 53.667 53.050 0.009 0.000 0.933 245 N CB -0.085 38.404 38.487 0.002 0.000 0.974 245 N HN 0.276 nan 8.380 nan 0.000 0.448 246 N N -0.202 118.490 118.700 -0.013 0.000 2.380 246 N HA 0.169 4.909 4.740 0.000 0.000 0.255 246 N C -1.575 173.916 175.510 -0.031 0.000 1.158 246 N CA 0.006 53.024 53.050 -0.053 0.000 0.878 246 N CB 0.640 39.091 38.487 -0.060 0.000 1.138 246 N HN -0.191 nan 8.380 nan 0.000 0.509 247 V N 0.485 120.420 119.914 0.034 0.000 2.655 247 V HA 0.595 4.715 4.120 0.000 0.000 0.301 247 V C -0.861 175.322 176.094 0.148 0.000 1.082 247 V CA -1.213 61.147 62.300 0.099 0.000 0.899 247 V CB 1.629 33.522 31.823 0.116 0.000 1.014 247 V HN 0.168 nan 8.190 nan 0.000 0.429 248 A N 4.960 127.900 122.820 0.200 0.000 2.269 248 A HA 0.699 5.020 4.320 0.000 0.000 0.302 248 A C -1.141 176.542 177.584 0.164 0.000 1.266 248 A CA -0.206 51.946 52.037 0.191 0.000 0.894 248 A CB 0.133 19.267 19.000 0.224 0.000 1.147 248 A HN 0.900 nan 8.150 nan 0.000 0.537 249 Y N 2.647 122.972 120.300 0.043 0.000 2.331 249 Y HA 0.569 5.119 4.550 -0.000 0.000 0.338 249 Y C -0.019 175.898 175.900 0.030 0.000 0.992 249 Y CA -0.612 57.488 58.100 0.000 0.000 1.121 249 Y CB 1.353 39.824 38.460 0.018 0.000 1.184 249 Y HN 0.840 nan 8.280 nan 0.000 0.469 250 A N 6.149 128.569 122.820 -0.666 0.000 2.374 250 A HA 0.703 5.023 4.320 0.000 0.000 0.305 250 A C -1.455 175.709 177.584 -0.700 0.000 1.053 250 A CA -0.934 50.789 52.037 -0.524 0.000 0.726 250 A CB 1.113 19.956 19.000 -0.261 0.000 1.229 250 A HN 0.727 nan 8.150 nan 0.000 0.431 251 R N 2.219 122.467 120.500 -0.421 0.000 2.265 251 R HA 0.647 4.987 4.340 0.000 0.000 0.328 251 R C -0.297 175.941 176.300 -0.103 0.000 0.969 251 R CA 0.160 56.099 56.100 -0.268 0.000 0.832 251 R CB 0.907 31.145 30.300 -0.103 0.000 1.139 251 R HN 0.946 nan 8.270 nan 0.000 0.457 252 A N 4.782 127.493 122.820 -0.183 0.000 2.302 252 A HA 0.304 4.624 4.320 0.000 0.000 0.295 252 A C -0.633 176.980 177.584 0.048 0.000 1.235 252 A CA -0.416 51.560 52.037 -0.100 0.000 0.876 252 A CB 0.046 18.944 19.000 -0.170 0.000 1.133 252 A HN 0.896 nan 8.150 nan 0.000 0.533 253 Y N 1.436 121.860 120.300 0.206 0.000 2.509 253 Y HA 0.114 4.664 4.550 0.001 0.000 0.270 253 Y C 0.775 176.706 175.900 0.052 0.000 1.103 253 Y CA 0.409 58.579 58.100 0.116 0.000 1.278 253 Y CB 0.170 38.697 38.460 0.110 0.000 1.087 253 Y HN 0.851 nan 8.280 nan 0.000 0.542 254 N N -1.499 117.327 118.700 0.209 0.000 2.324 254 N HA 0.432 5.172 4.740 0.000 0.000 0.285 254 N C 0.406 175.883 175.510 -0.055 0.000 1.076 254 N CA -0.083 52.987 53.050 0.034 0.000 0.864 254 N CB 1.227 39.726 38.487 0.019 0.000 1.632 254 N HN -0.037 nan 8.380 nan 0.000 0.478 255 A N 1.060 123.729 122.820 -0.251 0.000 1.985 255 A HA -0.340 3.981 4.320 0.000 0.000 0.223 255 A C 1.628 178.972 177.584 -0.401 0.000 1.189 255 A CA 2.219 53.949 52.037 -0.512 0.000 0.658 255 A CB -0.957 17.478 19.000 -0.941 0.000 0.820 255 A HN 0.885 nan 8.150 nan 0.000 0.464 256 D N -1.508 118.728 120.400 -0.273 0.000 2.088 256 D HA -0.226 4.414 4.640 0.000 0.000 0.196 256 D C 1.712 178.087 176.300 0.126 0.000 0.983 256 D CA 1.585 55.560 54.000 -0.041 0.000 0.846 256 D CB -0.706 40.103 40.800 0.014 0.000 0.992 256 D HN 0.692 nan 8.370 nan 0.000 0.448 257 H N 0.346 119.422 119.070 0.009 0.000 2.355 257 H HA -0.256 4.300 4.556 -0.000 0.000 0.282 257 H C 2.112 177.490 175.328 0.084 0.000 1.131 257 H CA 2.108 58.184 56.048 0.047 0.000 1.158 257 H CB -0.067 29.727 29.762 0.054 0.000 1.351 257 H HN 0.284 nan 8.280 nan 0.000 0.469 258 Q N -0.216 119.627 119.800 0.072 0.000 2.449 258 Q HA -0.166 4.174 4.340 0.000 0.000 0.214 258 Q C 1.856 178.031 176.000 0.291 0.000 0.986 258 Q CA 1.296 57.135 55.803 0.059 0.000 0.893 258 Q CB 0.106 28.838 28.738 -0.010 0.000 0.940 258 Q HN 0.447 nan 8.270 nan 0.000 0.477 259 L N -1.037 120.359 121.223 0.288 0.000 2.547 259 L HA 0.128 4.468 4.340 0.000 0.000 0.218 259 L C 1.948 178.925 176.870 0.178 0.000 1.048 259 L CA 0.768 55.790 54.840 0.303 0.000 0.859 259 L CB -0.076 42.208 42.059 0.376 0.000 1.128 259 L HN -0.081 nan 8.230 nan 0.000 0.483 260 R N -0.427 120.185 120.500 0.186 0.000 2.119 260 R HA -0.202 4.138 4.340 0.000 0.000 0.246 260 R C 2.083 178.460 176.300 0.127 0.000 1.146 260 R CA 2.124 58.323 56.100 0.164 0.000 0.962 260 R CB -0.626 29.805 30.300 0.217 0.000 0.863 260 R HN 0.344 nan 8.270 nan 0.000 0.442 261 L N 0.384 121.667 121.223 0.100 0.000 1.961 261 L HA -0.230 4.110 4.340 0.000 0.000 0.210 261 L C 2.430 179.301 176.870 0.002 0.000 1.072 261 L CA 1.358 56.211 54.840 0.021 0.000 0.749 261 L CB -0.690 41.325 42.059 -0.073 0.000 0.889 261 L HN 0.219 nan 8.230 nan 0.000 0.432 262 L N -0.233 120.993 121.223 0.005 0.000 2.113 262 L HA -0.386 3.955 4.340 0.000 0.000 0.221 262 L C 2.447 179.308 176.870 -0.014 0.000 1.084 262 L CA 1.723 56.539 54.840 -0.040 0.000 0.787 262 L CB -0.782 41.224 42.059 -0.089 0.000 0.893 262 L HN 0.524 nan 8.230 nan 0.000 0.440 263 D N 0.006 120.423 120.400 0.028 0.000 2.081 263 D HA -0.178 4.462 4.640 0.000 0.000 0.194 263 D C 2.070 178.394 176.300 0.039 0.000 0.986 263 D CA 1.566 55.603 54.000 0.061 0.000 0.837 263 D CB 0.134 40.983 40.800 0.082 0.000 0.985 263 D HN 0.279 nan 8.370 nan 0.000 0.448 264 A N 0.561 123.396 122.820 0.025 0.000 2.148 264 A HA -0.091 4.229 4.320 0.000 0.000 0.222 264 A C 2.069 179.604 177.584 -0.081 0.000 1.161 264 A CA 2.107 54.136 52.037 -0.012 0.000 0.662 264 A CB -0.545 18.464 19.000 0.014 0.000 0.799 264 A HN 0.358 nan 8.150 nan 0.000 0.466 265 A N -1.586 121.173 122.820 -0.102 0.000 2.275 265 A HA 0.594 4.914 4.320 0.000 0.000 0.212 265 A C 1.938 179.367 177.584 -0.258 0.000 1.201 265 A CA 1.048 52.962 52.037 -0.205 0.000 0.843 265 A CB -0.360 18.509 19.000 -0.217 0.000 0.873 265 A HN 0.811 nan 8.150 nan 0.000 0.492 266 A N -0.408 122.328 122.820 -0.141 0.000 1.942 266 A HA 0.077 4.397 4.320 0.000 0.000 0.209 266 A C 1.999 179.452 177.584 -0.219 0.000 1.214 266 A CA 1.228 53.240 52.037 -0.041 0.000 0.686 266 A CB -0.443 18.680 19.000 0.204 0.000 0.871 266 A HN 0.489 nan 8.150 nan 0.000 0.460 267 Q N -0.087 119.460 119.800 -0.423 0.000 2.217 267 Q HA -0.224 4.116 4.340 0.000 0.000 0.209 267 Q C 1.798 177.606 176.000 -0.320 0.000 0.988 267 Q CA 2.635 58.054 55.803 -0.640 0.000 0.878 267 Q CB -0.458 28.030 28.738 -0.417 0.000 0.909 267 Q HN 0.690 nan 8.270 nan 0.000 0.424 268 M N -1.157 118.283 119.600 -0.266 0.000 2.276 268 M HA 0.049 4.529 4.480 0.000 0.000 0.262 268 M C 2.059 178.202 176.300 -0.262 0.000 1.098 268 M CA 1.040 56.219 55.300 -0.201 0.000 1.167 268 M CB -0.073 32.399 32.600 -0.213 0.000 1.337 268 M HN 0.231 nan 8.290 nan 0.000 0.446 269 M N -0.167 119.057 119.600 -0.626 0.000 2.623 269 M HA -0.142 4.339 4.480 0.000 0.000 0.258 269 M C 2.121 178.057 176.300 -0.607 0.000 1.067 269 M CA 0.904 55.690 55.300 -0.858 0.000 1.068 269 M CB -0.649 30.972 32.600 -1.632 0.000 1.409 269 M HN 0.325 nan 8.290 nan 0.000 0.504 270 S N 0.789 116.345 115.700 -0.241 0.000 2.341 270 S HA -0.087 4.384 4.470 0.000 0.000 0.216 270 S C 1.612 176.232 174.600 0.033 0.000 1.034 270 S CA 0.903 59.132 58.200 0.048 0.000 0.964 270 S CB 0.053 63.266 63.200 0.022 0.000 0.882 270 S HN 0.501 nan 8.310 nan 0.000 0.469 271 E N 0.836 121.035 120.200 -0.002 0.000 2.012 271 E HA -0.052 4.298 4.350 0.000 0.000 0.197 271 E C 1.120 177.746 176.600 0.043 0.000 1.007 271 E CA 1.133 57.548 56.400 0.024 0.000 0.816 271 E CB -0.231 29.478 29.700 0.015 0.000 0.762 271 E HN 0.401 nan 8.360 nan 0.000 0.451 272 S N -0.600 115.145 115.700 0.076 0.000 2.767 272 S HA 0.333 4.803 4.470 0.000 0.000 0.300 272 S C -0.528 174.129 174.600 0.094 0.000 1.123 272 S CA -0.860 57.370 58.200 0.049 0.000 0.992 272 S CB 1.360 64.542 63.200 -0.031 0.000 1.138 272 S HN 0.110 nan 8.310 nan 0.000 0.550 273 R N 1.703 122.200 120.500 -0.005 0.000 2.229 273 R HA 0.386 4.726 4.340 0.000 0.000 0.332 273 R C -1.607 174.679 176.300 -0.023 0.000 0.989 273 R CA -0.274 55.850 56.100 0.040 0.000 0.842 273 R CB -0.031 30.274 30.300 0.009 0.000 1.119 273 R HN 0.499 nan 8.270 nan 0.000 0.456 274 F N 1.839 121.721 119.950 -0.112 0.000 2.399 274 F HA 0.381 4.908 4.527 -0.000 0.000 0.328 274 F C 1.525 177.292 175.800 -0.055 0.000 1.084 274 F CA -0.059 57.886 58.000 -0.092 0.000 1.053 274 F CB 1.918 40.839 39.000 -0.130 0.000 1.209 274 F HN 0.729 nan 8.300 nan 0.000 0.502 275 S N 1.457 117.237 115.700 0.134 0.000 2.497 275 S HA 0.472 4.942 4.470 0.000 0.000 0.221 275 S C 0.043 174.682 174.600 0.066 0.000 1.037 275 S CA 0.138 58.380 58.200 0.070 0.000 0.920 275 S CB 0.168 63.378 63.200 0.017 0.000 0.800 275 S HN 0.578 nan 8.310 nan 0.000 0.505 276 L N -0.354 120.920 121.223 0.086 0.000 2.612 276 L HA 0.688 5.028 4.340 0.000 0.000 0.256 276 L C -2.295 174.593 176.870 0.029 0.000 0.949 276 L CA -0.899 53.967 54.840 0.044 0.000 0.867 276 L CB 1.644 43.715 42.059 0.020 0.000 1.417 276 L HN 0.091 nan 8.230 nan 0.000 0.414 277 I N 3.348 123.903 120.570 -0.025 0.000 2.562 277 I HA 0.660 4.830 4.170 0.000 0.000 0.301 277 I C -0.923 175.124 176.117 -0.117 0.000 1.003 277 I CA -1.080 60.176 61.300 -0.075 0.000 1.127 277 I CB 2.197 40.138 38.000 -0.099 0.000 1.304 277 I HN 0.353 nan 8.210 nan 0.000 0.446 278 V N 5.891 125.678 119.914 -0.211 0.000 2.612 278 V HA 0.345 4.465 4.120 0.000 0.000 0.301 278 V C -0.582 175.246 176.094 -0.442 0.000 1.059 278 V CA -0.564 61.529 62.300 -0.344 0.000 0.886 278 V CB 2.287 33.802 31.823 -0.514 0.000 1.007 278 V HN 0.382 nan 8.190 nan 0.000 0.426 279 V N 3.782 123.536 119.914 -0.267 0.000 2.417 279 V HA 0.668 4.788 4.120 0.000 0.000 0.291 279 V C -0.776 175.195 176.094 -0.206 0.000 1.024 279 V CA -0.447 61.738 62.300 -0.191 0.000 0.861 279 V CB 1.889 33.722 31.823 0.017 0.000 0.985 279 V HN 1.000 nan 8.190 nan 0.000 0.436 280 D N 2.960 123.225 120.400 -0.226 0.000 2.478 280 D HA 0.392 5.032 4.640 0.000 0.000 0.240 280 D C -1.002 175.268 176.300 -0.050 0.000 1.364 280 D CA -0.074 53.843 54.000 -0.138 0.000 0.987 280 D CB 2.053 42.750 40.800 -0.172 0.000 1.328 280 D HN 0.484 nan 8.370 nan 0.000 0.584 281 S N 3.058 118.744 115.700 -0.024 0.000 2.473 281 S HA 0.313 4.783 4.470 0.000 0.000 0.307 281 S C 1.130 175.691 174.600 -0.065 0.000 1.094 281 S CA -0.747 57.432 58.200 -0.035 0.000 1.070 281 S CB 1.549 64.753 63.200 0.007 0.000 1.019 281 S HN 0.312 nan 8.310 nan 0.000 0.480 282 V N 5.621 125.474 119.914 -0.102 0.000 2.439 282 V HA -0.205 3.915 4.120 0.000 0.000 0.253 282 V C 2.015 177.960 176.094 -0.248 0.000 1.074 282 V CA 1.898 64.070 62.300 -0.213 0.000 1.076 282 V CB -0.559 31.144 31.823 -0.199 0.000 0.664 282 V HN 0.786 nan 8.190 nan 0.000 0.461 283 M N -1.246 118.269 119.600 -0.140 0.000 2.065 283 M HA 0.165 4.645 4.480 0.000 0.000 0.224 283 M C 2.414 178.737 176.300 0.037 0.000 1.263 283 M CA 1.649 56.888 55.300 -0.102 0.000 1.088 283 M CB -1.660 30.900 32.600 -0.068 0.000 1.054 283 M HN 0.267 nan 8.290 nan 0.000 0.439 284 A N 0.550 123.393 122.820 0.039 0.000 2.001 284 A HA -0.281 4.039 4.320 0.000 0.000 0.254 284 A C 1.973 179.588 177.584 0.052 0.000 2.383 284 A CA 2.485 54.553 52.037 0.052 0.000 0.767 284 A CB -1.654 17.376 19.000 0.051 0.000 0.818 284 A HN 0.545 nan 8.150 nan 0.000 0.594 285 L N -2.860 118.403 121.223 0.067 0.000 2.395 285 L HA 0.111 4.451 4.340 0.000 0.000 0.218 285 L C 1.905 178.773 176.870 -0.004 0.000 1.130 285 L CA 1.640 56.491 54.840 0.019 0.000 0.826 285 L CB -0.521 41.537 42.059 -0.002 0.000 0.941 285 L HN 0.465 nan 8.230 nan 0.000 0.451 286 Y N -0.933 119.307 120.300 -0.101 0.000 2.476 286 Y HA 0.088 4.637 4.550 -0.001 0.000 0.283 286 Y C 2.416 178.278 175.900 -0.063 0.000 1.109 286 Y CA 0.497 58.537 58.100 -0.099 0.000 1.246 286 Y CB -0.068 38.330 38.460 -0.103 0.000 1.068 286 Y HN 0.100 nan 8.280 nan 0.000 0.552 287 R N -0.316 120.238 120.500 0.090 0.000 2.082 287 R HA -0.075 4.265 4.340 0.000 0.000 0.218 287 R C 1.970 178.274 176.300 0.007 0.000 1.171 287 R CA 1.757 57.881 56.100 0.039 0.000 0.914 287 R CB -1.165 29.153 30.300 0.030 0.000 0.806 287 R HN 0.159 nan 8.270 nan 0.000 0.453 288 T N 1.849 116.404 114.554 0.001 0.000 2.012 288 T HA -0.294 4.056 4.350 0.000 0.000 0.167 288 T C 0.910 175.592 174.700 -0.031 0.000 1.831 288 T CA 1.908 64.001 62.100 -0.013 0.000 1.030 288 T CB -1.182 67.679 68.868 -0.012 0.000 0.838 288 T HN 0.563 nan 8.240 nan 0.000 0.397 296 L N 0.906 122.143 121.223 0.024 0.000 3.666 296 L HA -0.297 4.043 4.340 0.000 0.000 0.149 296 L C 2.987 179.880 176.870 0.039 0.000 3.567 296 L CA 5.553 60.412 54.840 0.031 0.000 1.402 296 L CB -2.368 39.704 42.059 0.021 0.000 2.948 296 L HN 2.397 nan 8.230 nan 0.000 0.605 297 S N -1.616 114.101 115.700 0.029 0.000 2.073 297 S HA -0.397 4.074 4.470 0.000 0.000 0.526 297 S C 2.230 176.859 174.600 0.048 0.000 0.931 297 S CA 3.972 62.190 58.200 0.030 0.000 3.292 297 S CB -1.517 61.696 63.200 0.021 0.000 2.301 297 S HN 2.867 nan 8.310 nan 0.000 0.562 298 A N 2.311 125.160 122.820 0.048 0.000 1.916 298 A HA -0.375 3.945 4.320 0.000 0.000 0.224 298 A C 2.308 179.963 177.584 0.118 0.000 1.366 298 A CA 3.574 55.653 52.037 0.070 0.000 0.692 298 A CB -1.533 17.502 19.000 0.058 0.000 0.841 298 A HN 0.903 nan 8.150 nan 0.000 0.480 299 R N -1.206 119.359 120.500 0.110 0.000 2.080 299 R HA -0.214 4.126 4.340 0.000 0.000 0.236 299 R C 2.484 178.908 176.300 0.207 0.000 1.137 299 R CA 2.571 58.769 56.100 0.163 0.000 0.943 299 R CB -0.756 29.619 30.300 0.124 0.000 0.846 299 R HN 0.605 nan 8.270 nan 0.000 0.431 300 Q N -0.534 119.340 119.800 0.124 0.000 2.439 300 Q HA -0.056 4.284 4.340 0.000 0.000 0.211 300 Q C 2.142 178.198 176.000 0.093 0.000 0.978 300 Q CA 2.263 58.119 55.803 0.089 0.000 0.897 300 Q CB -0.871 27.892 28.738 0.041 0.000 0.956 300 Q HN 0.706 nan 8.270 nan 0.000 0.483 301 M N -1.116 118.549 119.600 0.108 0.000 2.155 301 M HA 0.026 4.507 4.480 0.000 0.000 0.258 301 M C 2.215 178.593 176.300 0.130 0.000 1.092 301 M CA 1.725 57.075 55.300 0.083 0.000 1.153 301 M CB -1.383 31.242 32.600 0.041 0.000 1.316 301 M HN 0.738 nan 8.290 nan 0.000 0.431 302 H N 0.612 119.766 119.070 0.141 0.000 2.330 302 H HA -0.214 4.343 4.556 0.001 0.000 0.290 302 H C 2.158 177.690 175.328 0.341 0.000 1.111 302 H CA 2.814 58.991 56.048 0.216 0.000 1.226 302 H CB -0.409 29.462 29.762 0.181 0.000 1.355 302 H HN 0.503 nan 8.280 nan 0.000 0.485 303 L N 0.350 121.864 121.223 0.485 0.000 1.938 303 L HA -0.048 4.293 4.340 0.000 0.000 0.212 303 L C 2.740 179.697 176.870 0.145 0.000 1.085 303 L CA 2.473 57.400 54.840 0.145 0.000 0.760 303 L CB -1.615 40.357 42.059 -0.145 0.000 0.888 303 L HN 0.249 nan 8.230 nan 0.000 0.433 304 A N -0.034 122.843 122.820 0.095 0.000 1.899 304 A HA -0.478 3.842 4.320 0.000 0.000 0.230 304 A C 2.447 180.102 177.584 0.118 0.000 1.593 304 A CA 3.284 55.375 52.037 0.090 0.000 0.728 304 A CB -1.376 17.660 19.000 0.060 0.000 0.848 304 A HN 0.640 nan 8.150 nan 0.000 0.490 305 K N -2.028 118.440 120.400 0.114 0.000 2.207 305 K HA -0.238 4.082 4.320 0.000 0.000 0.208 305 K C 1.627 178.311 176.600 0.140 0.000 1.046 305 K CA 2.169 58.511 56.287 0.092 0.000 0.929 305 K CB -0.326 32.197 32.500 0.039 0.000 0.720 305 K HN 0.557 nan 8.250 nan 0.000 0.463 306 F N 0.205 120.195 119.950 0.066 0.000 2.092 306 F HA -0.106 4.422 4.527 0.001 0.000 0.286 306 F C 1.979 177.787 175.800 0.014 0.000 1.116 306 F CA 1.000 59.038 58.000 0.065 0.000 1.185 306 F CB -0.182 38.873 39.000 0.092 0.000 1.034 306 F HN -0.083 nan 8.300 nan 0.000 0.479 307 M N 0.511 120.261 119.600 0.249 0.000 2.252 307 M HA -0.277 4.203 4.480 0.000 0.000 0.255 307 M C 2.082 178.371 176.300 -0.018 0.000 1.085 307 M CA 1.535 56.891 55.300 0.093 0.000 1.059 307 M CB -1.436 31.229 32.600 0.109 0.000 1.375 307 M HN 0.245 nan 8.290 nan 0.000 0.409 308 R N -0.604 119.889 120.500 -0.011 0.000 2.060 308 R HA 0.003 4.344 4.340 0.000 0.000 0.225 308 R C 2.333 178.578 176.300 -0.092 0.000 1.155 308 R CA 1.326 57.403 56.100 -0.039 0.000 0.930 308 R CB -0.572 29.721 30.300 -0.011 0.000 0.829 308 R HN 0.379 nan 8.270 nan 0.000 0.433 309 A N 1.644 124.395 122.820 -0.115 0.000 1.909 309 A HA -0.254 4.066 4.320 0.000 0.000 0.221 309 A C 2.230 179.694 177.584 -0.199 0.000 1.223 309 A CA 1.806 53.751 52.037 -0.153 0.000 0.658 309 A CB -1.082 17.803 19.000 -0.191 0.000 0.831 309 A HN 0.285 nan 8.150 nan 0.000 0.462 310 L N -1.266 119.763 121.223 -0.324 0.000 1.997 310 L HA -0.332 4.008 4.340 0.000 0.000 0.216 310 L C 2.920 179.715 176.870 -0.125 0.000 1.074 310 L CA 2.098 56.789 54.840 -0.248 0.000 0.763 310 L CB -0.729 41.180 42.059 -0.250 0.000 0.890 310 L HN 0.577 nan 8.230 nan 0.000 0.434 311 Q N 0.569 120.307 119.800 -0.104 0.000 2.077 311 Q HA -0.249 4.092 4.340 0.000 0.000 0.206 311 Q C 2.150 178.110 176.000 -0.067 0.000 0.989 311 Q CA 1.868 57.628 55.803 -0.072 0.000 0.853 311 Q CB -0.278 28.418 28.738 -0.070 0.000 0.907 311 Q HN 0.241 nan 8.270 nan 0.000 0.418 312 R N -0.554 119.900 120.500 -0.077 0.000 2.113 312 R HA -0.154 4.186 4.340 0.000 0.000 0.231 312 R C 2.473 178.754 176.300 -0.031 0.000 1.129 312 R CA 2.018 58.079 56.100 -0.064 0.000 0.915 312 R CB -0.784 29.487 30.300 -0.048 0.000 0.837 312 R HN 0.391 nan 8.270 nan 0.000 0.430 313 L N 0.016 121.228 121.223 -0.019 0.000 2.198 313 L HA -0.336 4.004 4.340 0.000 0.000 0.218 313 L C 2.526 179.445 176.870 0.082 0.000 1.084 313 L CA 1.570 56.442 54.840 0.053 0.000 0.779 313 L CB -0.632 41.467 42.059 0.066 0.000 0.890 313 L HN 0.442 nan 8.230 nan 0.000 0.439 314 A N -0.650 122.187 122.820 0.028 0.000 1.897 314 A HA -0.163 4.157 4.320 0.000 0.000 0.215 314 A C 1.960 179.564 177.584 0.034 0.000 1.181 314 A CA 1.567 53.626 52.037 0.038 0.000 0.620 314 A CB -0.298 18.706 19.000 0.007 0.000 0.821 314 A HN 0.384 nan 8.150 nan 0.000 0.443 315 D N -0.645 119.759 120.400 0.007 0.000 2.084 315 D HA -0.181 4.459 4.640 0.000 0.000 0.196 315 D C 2.035 178.361 176.300 0.043 0.000 0.985 315 D CA 1.588 55.600 54.000 0.020 0.000 0.826 315 D CB -0.541 40.235 40.800 -0.041 0.000 0.978 315 D HN 0.616 nan 8.370 nan 0.000 0.456 316 Q N -0.872 118.930 119.800 0.003 0.000 2.173 316 Q HA -0.195 4.146 4.340 0.000 0.000 0.208 316 Q C 0.875 176.587 176.000 -0.480 0.000 0.989 316 Q CA 1.584 57.235 55.803 -0.252 0.000 0.872 316 Q CB 0.035 28.502 28.738 -0.451 0.000 0.909 316 Q HN 0.237 nan 8.270 nan 0.000 0.420 317 F N -3.317 116.656 119.950 0.038 0.000 2.871 317 F HA 0.349 4.876 4.527 0.000 0.000 0.344 317 F C 1.242 177.059 175.800 0.028 0.000 1.078 317 F CA 0.354 58.370 58.000 0.026 0.000 1.149 317 F CB 1.147 40.151 39.000 0.007 0.000 1.087 317 F HN 0.124 nan 8.300 nan 0.000 0.557 318 G N 0.864 109.758 108.800 0.155 0.000 2.234 318 G HA2 -0.327 3.633 3.960 0.000 0.000 0.260 318 G HA3 -0.327 3.633 3.960 0.000 0.000 0.260 318 G C 0.648 175.605 174.900 0.095 0.000 0.987 318 G CA 0.285 45.445 45.100 0.101 0.000 0.625 318 G HN 0.520 nan 8.290 nan 0.000 0.532 319 V N -1.072 118.918 119.914 0.128 0.000 4.122 319 V HA 0.468 4.588 4.120 0.000 0.000 0.297 319 V C 0.855 176.977 176.094 0.046 0.000 1.052 319 V CA 0.711 63.061 62.300 0.084 0.000 1.130 319 V CB 0.407 32.273 31.823 0.072 0.000 1.165 319 V HN 2.117 nan 8.190 nan 0.000 0.472 320 A N 0.174 123.011 122.820 0.028 0.000 2.335 320 A HA 0.741 5.061 4.320 0.000 0.000 0.304 320 A C -0.770 176.811 177.584 -0.005 0.000 1.118 320 A CA -0.546 51.497 52.037 0.010 0.000 0.757 320 A CB 1.475 20.479 19.000 0.005 0.000 1.188 320 A HN 1.106 nan 8.150 nan 0.000 0.460 321 V N 2.791 122.698 119.914 -0.012 0.000 2.435 321 V HA 0.531 4.651 4.120 0.000 0.000 0.290 321 V C -0.380 175.697 176.094 -0.028 0.000 1.030 321 V CA -0.409 61.873 62.300 -0.030 0.000 0.881 321 V CB 1.601 33.402 31.823 -0.036 0.000 0.983 321 V HN 0.651 nan 8.190 nan 0.000 0.445 322 V N 5.656 125.541 119.914 -0.049 0.000 2.483 322 V HA 0.527 4.647 4.120 0.000 0.000 0.297 322 V C -0.531 175.518 176.094 -0.075 0.000 1.027 322 V CA -0.440 61.828 62.300 -0.053 0.000 0.855 322 V CB 2.150 33.934 31.823 -0.065 0.000 0.995 322 V HN 0.616 nan 8.190 nan 0.000 0.424 323 V N 3.956 123.845 119.914 -0.043 0.000 2.604 323 V HA 0.634 4.754 4.120 0.000 0.000 0.305 323 V C 0.195 176.268 176.094 -0.035 0.000 1.043 323 V CA -0.573 61.705 62.300 -0.037 0.000 0.888 323 V CB 2.401 34.229 31.823 0.009 0.000 0.995 323 V HN 0.955 nan 8.190 nan 0.000 0.429 324 T N 1.138 115.659 114.554 -0.055 0.000 2.902 324 T HA 0.556 4.907 4.350 0.000 0.000 0.283 324 T C -0.482 174.217 174.700 -0.002 0.000 1.009 324 T CA -0.732 61.342 62.100 -0.043 0.000 1.051 324 T CB 1.513 70.341 68.868 -0.066 0.000 0.999 324 T HN 0.733 nan 8.240 nan 0.000 0.474 325 N N 1.564 120.292 118.700 0.047 0.000 2.454 325 N HA 0.214 4.954 4.740 0.000 0.000 0.291 325 N C -1.364 174.207 175.510 0.101 0.000 1.079 325 N CA -0.509 52.576 53.050 0.058 0.000 0.893 325 N CB 1.727 40.247 38.487 0.056 0.000 1.512 325 N HN 0.611 nan 8.380 nan 0.000 0.497 326 Q N 2.037 121.891 119.800 0.090 0.000 2.293 326 Q HA 0.398 4.739 4.340 0.000 0.000 0.261 326 Q C -0.165 175.911 176.000 0.127 0.000 0.960 326 Q CA -0.809 55.075 55.803 0.135 0.000 0.882 326 Q CB 2.657 31.511 28.738 0.194 0.000 1.275 326 Q HN 0.363 nan 8.270 nan 0.000 0.445 347 G N 0.563 109.325 108.800 -0.064 0.000 2.985 347 G HA2 0.135 4.096 3.960 0.000 0.000 0.209 347 G HA3 0.135 4.096 3.960 0.000 0.000 0.209 347 G C 1.206 176.058 174.900 -0.081 0.000 1.165 347 G CA 0.920 45.966 45.100 -0.090 0.000 0.776 347 G HN 0.282 nan 8.290 nan 0.000 0.541 348 N N 0.822 119.490 118.700 -0.053 0.000 2.258 348 N HA 0.058 4.798 4.740 0.000 0.000 0.183 348 N C 2.228 177.736 175.510 -0.004 0.000 1.029 348 N CA 0.206 53.238 53.050 -0.029 0.000 0.857 348 N CB -0.123 38.342 38.487 -0.037 0.000 1.008 348 N HN 0.224 nan 8.380 nan 0.000 0.433 349 I N 1.537 122.094 120.570 -0.021 0.000 2.290 349 I HA -0.317 3.853 4.170 0.000 0.000 0.253 349 I C 2.110 178.250 176.117 0.039 0.000 1.112 349 I CA 1.038 62.339 61.300 0.000 0.000 1.377 349 I CB -0.132 37.857 38.000 -0.018 0.000 1.060 349 I HN 0.152 nan 8.210 nan 0.000 0.428 350 M N -0.100 119.505 119.600 0.009 0.000 2.102 350 M HA -0.043 4.437 4.480 0.000 0.000 0.259 350 M C 2.774 179.101 176.300 0.045 0.000 1.083 350 M CA 1.649 56.961 55.300 0.020 0.000 1.141 350 M CB -1.198 31.395 32.600 -0.012 0.000 1.318 350 M HN 0.263 nan 8.290 nan 0.000 0.421 351 A N 0.228 123.064 122.820 0.026 0.000 1.929 351 A HA -0.310 4.010 4.320 0.000 0.000 0.221 351 A C 1.990 179.624 177.584 0.083 0.000 1.211 351 A CA 2.769 54.831 52.037 0.043 0.000 0.657 351 A CB -1.555 17.457 19.000 0.021 0.000 0.827 351 A HN 0.654 nan 8.150 nan 0.000 0.462 352 H N 0.922 119.987 119.070 -0.009 0.000 2.265 352 H HA -0.154 4.402 4.556 0.000 0.000 0.293 352 H C 2.240 177.567 175.328 -0.001 0.000 1.089 352 H CA 2.828 58.873 56.048 -0.005 0.000 1.244 352 H CB -0.249 29.507 29.762 -0.010 0.000 1.355 352 H HN 0.554 nan 8.280 nan 0.000 0.485 353 S N -0.403 115.315 115.700 0.030 0.000 2.631 353 S HA 0.102 4.572 4.470 0.000 0.000 0.217 353 S C 0.367 174.946 174.600 -0.035 0.000 0.958 353 S CA -0.016 58.148 58.200 -0.061 0.000 0.920 353 S CB -0.239 62.971 63.200 0.017 0.000 0.776 353 S HN 0.495 nan 8.310 nan 0.000 0.517 354 S N 0.788 116.483 115.700 -0.008 0.000 2.449 354 S HA 0.488 4.958 4.470 0.000 0.000 0.310 354 S C 0.728 175.335 174.600 0.011 0.000 1.096 354 S CA -0.040 58.166 58.200 0.009 0.000 1.095 354 S CB 1.570 64.794 63.200 0.040 0.000 1.007 354 S HN 0.361 nan 8.310 nan 0.000 0.474 355 T N -0.133 114.427 114.554 0.010 0.000 3.044 355 T HA 0.167 4.517 4.350 0.000 0.000 0.255 355 T C 0.509 175.230 174.700 0.036 0.000 1.073 355 T CA 0.401 62.509 62.100 0.014 0.000 1.125 355 T CB -0.356 68.519 68.868 0.012 0.000 0.908 355 T HN 0.622 nan 8.240 nan 0.000 0.480 356 T N 2.962 117.544 114.554 0.047 0.000 2.791 356 T HA 0.554 4.904 4.350 0.000 0.000 0.288 356 T C -0.652 174.108 174.700 0.100 0.000 0.999 356 T CA -0.768 61.371 62.100 0.065 0.000 0.952 356 T CB 1.374 70.275 68.868 0.054 0.000 0.938 356 T HN 0.296 nan 8.240 nan 0.000 0.444 357 R N 2.812 123.392 120.500 0.133 0.000 2.460 357 R HA 0.729 5.069 4.340 0.000 0.000 0.303 357 R C -1.010 175.402 176.300 0.187 0.000 0.968 357 R CA -0.871 55.364 56.100 0.224 0.000 0.889 357 R CB 1.661 32.146 30.300 0.308 0.000 1.123 357 R HN 0.466 nan 8.270 nan 0.000 0.455 358 L N 1.533 122.827 121.223 0.118 0.000 2.491 358 L HA 0.401 4.741 4.340 0.000 0.000 0.267 358 L C -0.103 176.625 176.870 -0.236 0.000 0.971 358 L CA -0.692 54.166 54.840 0.030 0.000 0.857 358 L CB 2.303 44.507 42.059 0.243 0.000 1.226 358 L HN 0.821 nan 8.230 nan 0.000 0.408 359 G N 2.648 111.215 108.800 -0.389 0.000 2.327 359 G HA2 0.542 4.502 3.960 0.000 0.000 0.302 359 G HA3 0.542 4.502 3.960 0.000 0.000 0.302 359 G C -1.026 173.776 174.900 -0.163 0.000 1.113 359 G CA -0.133 44.611 45.100 -0.593 0.000 0.921 359 G HN 0.210 nan 8.290 nan 0.000 0.425 360 F N 1.220 120.997 119.950 -0.289 0.000 2.421 360 F HA 0.560 5.087 4.527 -0.001 0.000 0.337 360 F C 0.661 176.427 175.800 -0.055 0.000 1.105 360 F CA -0.672 57.270 58.000 -0.097 0.000 1.049 360 F CB 2.447 41.426 39.000 -0.036 0.000 1.139 360 F HN 0.219 nan 8.300 nan 0.000 0.479 361 K N 1.447 121.853 120.400 0.010 0.000 2.375 361 K HA 0.333 4.653 4.320 0.000 0.000 0.249 361 K C -0.851 175.726 176.600 -0.037 0.000 0.942 361 K CA -1.180 55.111 56.287 0.006 0.000 0.806 361 K CB 2.241 34.727 32.500 -0.025 0.000 1.227 361 K HN 0.405 nan 8.250 nan 0.000 0.430 362 K N 1.446 121.839 120.400 -0.012 0.000 2.363 362 K HA 0.110 4.430 4.320 0.000 0.000 0.289 362 K C 0.206 176.762 176.600 -0.073 0.000 1.063 362 K CA -0.120 56.144 56.287 -0.039 0.000 0.967 362 K CB 0.325 32.824 32.500 -0.003 0.000 0.987 362 K HN 0.781 nan 8.250 nan 0.000 0.473 363 G N 2.335 111.059 108.800 -0.127 0.000 2.485 363 G HA2 0.301 4.261 3.960 0.000 0.000 0.260 363 G HA3 0.301 4.261 3.960 0.000 0.000 0.260 363 G C -0.667 174.180 174.900 -0.088 0.000 1.459 363 G CA -0.457 44.567 45.100 -0.126 0.000 1.060 363 G HN 0.654 nan 8.290 nan 0.000 0.546 364 K N -1.119 119.232 120.400 -0.083 0.000 2.183 364 K HA 0.646 4.966 4.320 0.000 0.000 0.274 364 K C 1.147 177.707 176.600 -0.067 0.000 1.009 364 K CA 0.669 56.920 56.287 -0.061 0.000 0.888 364 K CB 0.404 32.876 32.500 -0.047 0.000 1.078 364 K HN 2.347 nan 8.250 nan 0.000 0.459 365 G N 0.204 108.971 108.800 -0.055 0.000 3.274 365 G HA2 -0.393 3.567 3.960 0.000 0.000 0.313 365 G HA3 -0.393 3.567 3.960 0.000 0.000 0.313 365 G C 1.549 176.405 174.900 -0.074 0.000 1.295 365 G CA 1.726 46.791 45.100 -0.058 0.000 1.004 365 G HN 2.241 nan 8.290 nan 0.000 0.614 366 C N 0.328 119.564 119.300 -0.105 0.000 3.525 366 C HA 0.846 5.306 4.460 0.000 0.000 0.289 366 C C 1.172 176.063 174.990 -0.166 0.000 1.496 366 C CA 1.123 60.058 59.018 -0.138 0.000 1.804 366 C CB -0.635 26.994 27.740 -0.185 0.000 2.708 366 C HN 1.682 nan 8.230 nan 0.000 0.642 367 Q N 1.291 120.998 119.800 -0.154 0.000 2.443 367 Q HA 0.764 5.104 4.340 0.000 0.000 0.232 367 Q C -0.227 175.604 176.000 -0.280 0.000 1.026 367 Q CA 0.240 55.932 55.803 -0.186 0.000 0.924 367 Q CB 0.300 28.957 28.738 -0.135 0.000 1.256 367 Q HN 0.720 nan 8.270 nan 0.000 0.519 368 R N 0.712 120.904 120.500 -0.513 0.000 2.510 368 R HA 0.368 4.709 4.340 0.000 0.000 0.287 368 R C -1.227 174.630 176.300 -0.738 0.000 1.084 368 R CA -0.872 54.834 56.100 -0.657 0.000 0.934 368 R CB 1.025 30.788 30.300 -0.895 0.000 1.201 368 R HN 0.706 nan 8.270 nan 0.000 0.431 369 L N 1.821 122.799 121.223 -0.407 0.000 2.474 369 L HA 0.377 4.717 4.340 0.000 0.000 0.259 369 L C -0.192 176.450 176.870 -0.380 0.000 1.232 369 L CA 0.341 54.995 54.840 -0.309 0.000 0.821 369 L CB 0.818 42.768 42.059 -0.182 0.000 1.108 369 L HN 0.835 nan 8.230 nan 0.000 0.495 370 C N 3.486 122.598 119.300 -0.314 0.000 3.135 370 C HA 0.351 4.811 4.460 0.000 0.000 0.428 370 C C -0.780 174.036 174.990 -0.290 0.000 0.972 370 C CA -1.200 57.541 59.018 -0.462 0.000 1.218 370 C CB 0.103 27.400 27.740 -0.739 0.000 1.595 370 C HN 0.987 nan 8.230 nan 0.000 0.576 371 K N 3.714 123.978 120.400 -0.226 0.000 2.106 371 K HA 0.786 5.106 4.320 0.000 0.000 0.246 371 K C -0.771 175.781 176.600 -0.081 0.000 0.987 371 K CA -0.532 55.689 56.287 -0.111 0.000 0.904 371 K CB 1.629 34.100 32.500 -0.049 0.000 1.071 371 K HN 0.625 nan 8.250 nan 0.000 0.453 372 V N 3.654 123.552 119.914 -0.026 0.000 2.259 372 V HA 0.137 4.257 4.120 0.000 0.000 0.267 372 V C -0.557 175.561 176.094 0.041 0.000 1.051 372 V CA -0.722 61.584 62.300 0.010 0.000 0.830 372 V CB 0.916 32.746 31.823 0.011 0.000 1.080 372 V HN 0.491 nan 8.190 nan 0.000 0.467 373 V N 4.919 124.879 119.914 0.077 0.000 2.368 373 V HA 0.575 4.696 4.120 0.000 0.000 0.266 373 V C 0.448 176.612 176.094 0.117 0.000 1.045 373 V CA 0.713 63.080 62.300 0.111 0.000 0.899 373 V CB 0.429 32.360 31.823 0.181 0.000 1.006 373 V HN 1.177 nan 8.190 nan 0.000 0.470 374 D N 3.575 124.025 120.400 0.083 0.000 4.867 374 D HA -0.108 4.532 4.640 0.000 0.000 0.238 374 D C 0.045 176.387 176.300 0.070 0.000 1.114 374 D CA 0.886 54.928 54.000 0.070 0.000 1.283 374 D CB -1.414 39.429 40.800 0.072 0.000 0.739 374 D HN 1.345 nan 8.370 nan 0.000 0.371 375 S N 4.241 119.973 115.700 0.053 0.000 2.479 375 S HA 0.593 5.063 4.470 0.000 0.000 0.169 375 S C -1.294 173.330 174.600 0.039 0.000 1.181 375 S CA 0.078 58.307 58.200 0.048 0.000 1.169 375 S CB 1.984 65.214 63.200 0.050 0.000 1.384 375 S HN 0.709 nan 8.310 nan 0.000 0.412 376 P HA -0.341 nan 4.420 nan 0.000 0.255 376 P C 1.219 178.536 177.300 0.028 0.000 0.760 376 P CA 2.764 65.883 63.100 0.031 0.000 1.040 376 P CB -0.873 30.850 31.700 0.038 0.000 0.801 377 C N -3.000 116.320 119.300 0.034 0.000 2.568 377 C HA 0.255 4.716 4.460 0.000 0.000 0.284 377 C C 1.980 176.988 174.990 0.030 0.000 1.338 377 C CA -0.596 58.442 59.018 0.034 0.000 1.724 377 C CB -1.568 26.204 27.740 0.053 0.000 2.131 377 C HN 0.166 nan 8.230 nan 0.000 0.513 378 L N 2.538 123.780 121.223 0.031 0.000 2.498 378 L HA 0.179 4.519 4.340 0.000 0.000 0.293 378 L C -1.957 174.928 176.870 0.024 0.000 1.271 378 L CA -0.180 54.677 54.840 0.027 0.000 0.831 378 L CB -0.206 41.869 42.059 0.028 0.000 1.091 378 L HN 0.267 nan 8.230 nan 0.000 0.535 379 P HA 0.164 nan 4.420 nan 0.000 0.306 379 P C -1.335 175.976 177.300 0.017 0.000 1.399 379 P CA -0.790 62.320 63.100 0.018 0.000 0.992 379 P CB 1.443 33.152 31.700 0.015 0.000 1.148 380 E N 2.247 122.459 120.200 0.019 0.000 2.406 380 E HA 0.307 4.657 4.350 0.000 0.000 0.247 380 E C -0.960 175.646 176.600 0.011 0.000 1.160 380 E CA 0.109 56.520 56.400 0.018 0.000 0.950 380 E CB -0.290 29.424 29.700 0.023 0.000 0.993 380 E HN 0.508 nan 8.360 nan 0.000 0.472 381 A N 5.273 128.095 122.820 0.005 0.000 2.429 381 A HA 0.261 4.581 4.320 0.000 0.000 0.289 381 A C -0.485 177.090 177.584 -0.015 0.000 1.043 381 A CA -0.935 51.100 52.037 -0.003 0.000 0.722 381 A CB 0.914 19.915 19.000 0.001 0.000 1.243 381 A HN 0.697 nan 8.150 nan 0.000 0.415 382 E N 0.402 120.588 120.200 -0.023 0.000 2.342 382 E HA 0.659 5.009 4.350 0.000 0.000 0.257 382 E C -0.025 176.551 176.600 -0.039 0.000 1.150 382 E CA -0.352 56.021 56.400 -0.045 0.000 0.926 382 E CB 1.561 31.229 29.700 -0.052 0.000 1.074 382 E HN 1.449 nan 8.360 nan 0.000 0.449 383 C N -1.062 118.206 119.300 -0.054 0.000 3.249 383 C HA 0.451 4.912 4.460 0.000 0.000 0.358 383 C C -1.064 173.898 174.990 -0.046 0.000 1.187 383 C CA -0.871 58.127 59.018 -0.033 0.000 1.170 383 C CB 0.329 28.067 27.740 -0.003 0.000 1.478 383 C HN 0.634 nan 8.230 nan 0.000 0.508 384 V N 3.093 122.985 119.914 -0.037 0.000 2.644 384 V HA 0.828 4.948 4.120 0.000 0.000 0.295 384 V C 0.218 176.327 176.094 0.026 0.000 1.053 384 V CA 0.079 62.331 62.300 -0.080 0.000 0.987 384 V CB 1.077 32.856 31.823 -0.072 0.000 1.006 384 V HN 1.132 nan 8.190 nan 0.000 0.472 385 F N 1.221 121.157 119.950 -0.024 0.000 2.922 385 F HA 1.046 5.574 4.527 0.001 0.000 0.345 385 F C -0.264 175.555 175.800 0.033 0.000 1.209 385 F CA -1.021 56.991 58.000 0.021 0.000 1.018 385 F CB 1.271 40.288 39.000 0.029 0.000 1.472 385 F HN 0.747 nan 8.300 nan 0.000 0.521 386 A N 0.088 123.286 122.820 0.631 0.000 2.581 386 A HA 0.791 5.112 4.320 0.000 0.000 0.290 386 A C -1.928 175.900 177.584 0.407 0.000 1.119 386 A CA -0.850 51.391 52.037 0.340 0.000 0.670 386 A CB 1.214 20.271 19.000 0.095 0.000 1.280 386 A HN 0.793 nan 8.150 nan 0.000 0.425 387 I N 0.478 121.075 120.570 0.044 0.000 2.465 387 I HA 0.568 4.739 4.170 0.000 0.000 0.291 387 I C -1.065 174.941 176.117 -0.186 0.000 1.014 387 I CA -0.352 60.989 61.300 0.069 0.000 1.093 387 I CB 1.477 39.518 38.000 0.068 0.000 1.267 387 I HN 0.728 nan 8.210 nan 0.000 0.431 388 Y N 2.266 122.603 120.300 0.061 0.000 3.123 388 Y HA 0.278 4.829 4.550 0.002 0.000 0.305 388 Y C 1.265 177.170 175.900 0.008 0.000 1.560 388 Y CA -0.783 57.334 58.100 0.028 0.000 1.048 388 Y CB 0.404 38.876 38.460 0.020 0.000 1.380 388 Y HN 0.477 nan 8.280 nan 0.000 0.618 389 E N 0.118 120.423 120.200 0.175 0.000 2.442 389 E HA -0.082 4.268 4.350 0.000 0.000 0.195 389 E C -0.252 176.380 176.600 0.053 0.000 1.030 389 E CA 1.043 57.487 56.400 0.073 0.000 0.869 389 E CB 0.029 29.759 29.700 0.049 0.000 0.857 389 E HN 0.746 nan 8.360 nan 0.000 0.505 390 D N -1.155 119.292 120.400 0.079 0.000 2.402 390 D HA 0.256 4.896 4.640 0.000 0.000 0.216 390 D C 0.598 176.952 176.300 0.090 0.000 1.128 390 D CA 0.281 54.310 54.000 0.048 0.000 0.833 390 D CB 0.849 41.643 40.800 -0.009 0.000 0.971 390 D HN 0.208 nan 8.370 nan 0.000 0.503 391 G N -0.840 108.035 108.800 0.125 0.000 2.373 391 G HA2 0.002 3.962 3.960 0.000 0.000 0.634 391 G HA3 0.002 3.962 3.960 0.000 0.000 0.634 391 G C -0.499 174.512 174.900 0.185 0.000 1.267 391 G CA -0.581 44.608 45.100 0.147 0.000 1.008 391 G HN 0.327 nan 8.290 nan 0.000 0.497 392 V N 0.430 120.434 119.914 0.150 0.000 3.484 392 V HA 0.543 4.663 4.120 0.000 0.000 0.304 392 V C 1.539 177.744 176.094 0.185 0.000 1.116 392 V CA 1.388 63.764 62.300 0.127 0.000 1.187 392 V CB 0.554 32.354 31.823 -0.038 0.000 1.062 392 V HN 2.490 nan 8.190 nan 0.000 0.489 393 G N 0.593 109.535 108.800 0.236 0.000 2.320 393 G HA2 0.337 4.297 3.960 0.000 0.000 0.296 393 G HA3 0.337 4.297 3.960 0.000 0.000 0.296 393 G C -1.873 173.194 174.900 0.279 0.000 1.306 393 G CA -0.790 44.425 45.100 0.191 0.000 0.836 393 G HN 0.548 nan 8.290 nan 0.000 0.517 394 D N 1.203 121.708 120.400 0.174 0.000 2.329 394 D HA 0.463 5.103 4.640 0.000 0.000 0.246 394 D C -1.482 174.966 176.300 0.246 0.000 1.111 394 D CA -0.457 53.650 54.000 0.179 0.000 0.941 394 D CB 1.428 42.280 40.800 0.087 0.000 1.169 394 D HN 0.219 nan 8.370 nan 0.000 0.441 395 P HA 0.000 nan 4.420 nan 0.000 0.216 395 P CA 0.000 63.223 63.100 0.206 0.000 0.800 395 P CB 0.000 31.764 31.700 0.106 0.000 0.726