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 1pzn_1_F DATA FIRST_RESID 96 DATA SEQUENCE TFXRADEYLK KRATIGRIST GSKSLDKLLG GGIETQAITE VFGEFGSGKT DATA SEQUENCE QLAHTLAVXV QLPPEEGGLN GSVIWIDTEN TFRPERIREI AQNRGLDPDE DATA SEQUENCE VLKHIYVARA FNSNHQXLLV QQAEDKIKEL LNTDRPVKLL IVDSLTSHFR DATA SEQUENCE SEYIGRGALA ERQQKLAKHL ADLHRLANLY DIAVFVTNQV QXXXXXXXXX DATA SEQUENCE XXXXXXGHIL AHSATLRVYL RKGKGGKRIA RLIDAPHLPE GEAVFSITEK DATA SEQUENCE GIED 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 96 T HA 0.000 nan 4.350 nan 0.000 0.228 96 T C 0.000 174.630 174.700 -0.117 0.000 1.109 96 T CA 0.000 62.121 62.100 0.035 0.000 1.349 96 T CB 0.000 69.031 68.868 0.272 0.000 0.612 100 A N 2.146 125.014 122.820 0.081 0.000 2.093 100 A HA -0.274 4.046 4.320 0.000 0.000 0.222 100 A C 1.295 178.949 177.584 0.117 0.000 1.162 100 A CA 2.233 54.338 52.037 0.114 0.000 0.655 100 A CB -0.614 18.432 19.000 0.078 0.000 0.805 100 A HN 0.863 nan 8.150 nan 0.000 0.461 101 D N -0.561 119.886 120.400 0.079 0.000 2.162 101 D HA -0.121 4.519 4.640 0.000 0.000 0.203 101 D C 1.478 177.813 176.300 0.059 0.000 0.967 101 D CA 1.183 55.217 54.000 0.056 0.000 0.840 101 D CB -0.535 40.287 40.800 0.036 0.000 0.972 101 D HN 0.441 nan 8.370 nan 0.000 0.482 102 E N 0.069 120.315 120.200 0.077 0.000 2.028 102 E HA -0.177 4.173 4.350 0.000 0.000 0.191 102 E C 2.084 178.747 176.600 0.105 0.000 0.988 102 E CA 0.689 57.133 56.400 0.074 0.000 0.799 102 E CB -0.842 28.904 29.700 0.077 0.000 0.755 102 E HN 0.354 nan 8.360 nan 0.000 0.447 103 Y N 1.898 122.201 120.300 0.006 0.000 2.114 103 Y HA -0.219 4.331 4.550 0.000 0.000 0.282 103 Y C 2.415 178.317 175.900 0.004 0.000 1.165 103 Y CA 1.581 59.683 58.100 0.003 0.000 1.148 103 Y CB -0.600 37.863 38.460 0.005 0.000 0.972 103 Y HN 0.054 nan 8.280 nan 0.000 0.504 104 L N 0.395 121.622 121.223 0.007 0.000 2.127 104 L HA -0.202 4.138 4.340 0.000 0.000 0.211 104 L C 2.391 179.216 176.870 -0.076 0.000 1.089 104 L CA 2.241 57.041 54.840 -0.067 0.000 0.757 104 L CB -0.509 41.553 42.059 0.004 0.000 0.899 104 L HN 0.278 nan 8.230 nan 0.000 0.434 105 K N 0.259 120.637 120.400 -0.038 0.000 1.980 105 K HA -0.214 4.106 4.320 0.000 0.000 0.208 105 K C 2.152 178.719 176.600 -0.056 0.000 1.043 105 K CA 1.613 57.881 56.287 -0.032 0.000 0.938 105 K CB -0.353 32.144 32.500 -0.005 0.000 0.724 105 K HN -0.039 nan 8.250 nan 0.000 0.438 106 K N 0.715 121.082 120.400 -0.055 0.000 2.089 106 K HA -0.117 4.203 4.320 0.000 0.000 0.210 106 K C 2.176 178.707 176.600 -0.115 0.000 1.048 106 K CA 1.912 58.160 56.287 -0.065 0.000 0.926 106 K CB -0.155 32.323 32.500 -0.036 0.000 0.714 106 K HN 0.241 nan 8.250 nan 0.000 0.448 107 R N -0.772 119.602 120.500 -0.211 0.000 2.073 107 R HA -0.081 4.259 4.340 0.000 0.000 0.234 107 R C 2.250 178.478 176.300 -0.119 0.000 1.134 107 R CA 1.312 57.280 56.100 -0.220 0.000 0.952 107 R CB -0.521 29.575 30.300 -0.341 0.000 0.850 107 R HN 0.227 nan 8.270 nan 0.000 0.433 108 A N 1.055 123.819 122.820 -0.094 0.000 2.125 108 A HA -0.137 4.183 4.320 0.000 0.000 0.219 108 A C 2.036 179.591 177.584 -0.048 0.000 1.156 108 A CA 1.766 53.768 52.037 -0.060 0.000 0.671 108 A CB -0.687 18.286 19.000 -0.045 0.000 0.794 108 A HN 0.492 nan 8.150 nan 0.000 0.459 109 T N -1.989 112.535 114.554 -0.049 0.000 3.252 109 T HA 0.307 4.657 4.350 0.000 0.000 0.250 109 T C 0.362 175.042 174.700 -0.033 0.000 1.123 109 T CA -0.245 61.834 62.100 -0.035 0.000 1.006 109 T CB -0.828 68.022 68.868 -0.029 0.000 0.992 109 T HN 0.294 nan 8.240 nan 0.000 0.547 110 I N 2.565 123.111 120.570 -0.040 0.000 2.436 110 I HA 0.359 4.529 4.170 0.000 0.000 0.289 110 I C 1.346 177.446 176.117 -0.028 0.000 1.083 110 I CA -0.548 60.733 61.300 -0.032 0.000 1.372 110 I CB 0.478 38.456 38.000 -0.036 0.000 1.408 110 I HN 0.327 nan 8.210 nan 0.000 0.516 111 G N 6.151 114.937 108.800 -0.023 0.000 2.562 111 G HA2 0.518 4.478 3.960 0.000 0.000 0.275 111 G HA3 0.518 4.478 3.960 0.000 0.000 0.275 111 G C -0.523 174.360 174.900 -0.029 0.000 1.196 111 G CA -0.536 44.548 45.100 -0.026 0.000 0.908 111 G HN 0.599 nan 8.290 nan 0.000 0.524 112 R N -0.171 120.308 120.500 -0.035 0.000 2.515 112 R HA 0.302 4.642 4.340 0.000 0.000 0.291 112 R C -0.896 175.373 176.300 -0.052 0.000 1.046 112 R CA -0.745 55.330 56.100 -0.042 0.000 0.914 112 R CB 1.313 31.587 30.300 -0.042 0.000 1.191 112 R HN 0.290 nan 8.270 nan 0.000 0.435 113 I N 1.947 122.478 120.570 -0.065 0.000 2.396 113 I HA 0.208 4.378 4.170 0.000 0.000 0.292 113 I C 0.786 176.846 176.117 -0.095 0.000 0.999 113 I CA -0.234 61.017 61.300 -0.083 0.000 1.310 113 I CB 1.391 39.325 38.000 -0.111 0.000 1.404 113 I HN 0.478 nan 8.210 nan 0.000 0.496 114 S N 2.944 118.589 115.700 -0.091 0.000 2.562 114 S HA 0.220 4.690 4.470 0.000 0.000 0.275 114 S C 1.318 175.839 174.600 -0.131 0.000 1.281 114 S CA -0.121 58.021 58.200 -0.096 0.000 1.045 114 S CB 0.656 63.810 63.200 -0.075 0.000 0.962 114 S HN 0.797 nan 8.310 nan 0.000 0.503 115 T N 1.378 115.840 114.554 -0.153 0.000 3.085 115 T HA 0.259 4.609 4.350 0.000 0.000 0.263 115 T C 1.394 175.981 174.700 -0.188 0.000 1.127 115 T CA 0.723 62.697 62.100 -0.210 0.000 1.103 115 T CB -0.517 68.199 68.868 -0.253 0.000 0.921 115 T HN 1.697 nan 8.240 nan 0.000 0.510 116 G N 0.507 109.226 108.800 -0.135 0.000 2.131 116 G HA2 -0.146 3.814 3.960 0.000 0.000 0.223 116 G HA3 -0.146 3.814 3.960 0.000 0.000 0.223 116 G C 0.063 174.904 174.900 -0.098 0.000 0.990 116 G CA 0.147 45.187 45.100 -0.101 0.000 0.671 116 G HN 1.308 nan 8.290 nan 0.000 0.521 117 S N -0.550 115.081 115.700 -0.114 0.000 2.733 117 S HA 0.605 5.075 4.470 0.000 0.000 0.294 117 S C 1.355 175.924 174.600 -0.052 0.000 1.149 117 S CA 0.221 58.371 58.200 -0.083 0.000 1.034 117 S CB 1.188 64.303 63.200 -0.141 0.000 1.015 117 S HN 0.295 nan 8.310 nan 0.000 0.486 118 K N 2.342 122.728 120.400 -0.024 0.000 2.034 118 K HA -0.140 4.180 4.320 0.000 0.000 0.214 118 K C 2.188 178.781 176.600 -0.012 0.000 1.051 118 K CA 1.935 58.211 56.287 -0.018 0.000 0.931 118 K CB -0.595 31.902 32.500 -0.006 0.000 0.715 118 K HN 0.607 nan 8.250 nan 0.000 0.446 119 S N 1.232 116.937 115.700 0.008 0.000 2.378 119 S HA -0.164 4.306 4.470 0.000 0.000 0.221 119 S C 1.915 176.525 174.600 0.017 0.000 1.037 119 S CA 1.314 59.529 58.200 0.025 0.000 1.069 119 S CB -0.464 62.775 63.200 0.064 0.000 1.006 119 S HN 0.333 nan 8.310 nan 0.000 0.423 120 L N 0.883 122.114 121.223 0.013 0.000 2.051 120 L HA -0.237 4.103 4.340 0.000 0.000 0.214 120 L C 2.019 178.863 176.870 -0.042 0.000 1.076 120 L CA 2.322 57.150 54.840 -0.020 0.000 0.758 120 L CB -0.666 41.303 42.059 -0.150 0.000 0.890 120 L HN 0.390 nan 8.230 nan 0.000 0.433 121 D N -0.379 119.987 120.400 -0.056 0.000 2.097 121 D HA -0.202 4.438 4.640 0.000 0.000 0.195 121 D C 2.187 178.465 176.300 -0.037 0.000 0.989 121 D CA 1.273 55.240 54.000 -0.054 0.000 0.827 121 D CB 0.037 40.803 40.800 -0.056 0.000 0.966 121 D HN 0.282 nan 8.370 nan 0.000 0.456 122 K N -0.062 120.323 120.400 -0.025 0.000 2.009 122 K HA -0.146 4.174 4.320 0.000 0.000 0.210 122 K C 2.057 178.647 176.600 -0.018 0.000 1.049 122 K CA 0.613 56.889 56.287 -0.019 0.000 0.929 122 K CB -0.379 32.115 32.500 -0.010 0.000 0.714 122 K HN 0.073 nan 8.250 nan 0.000 0.440 123 L N 1.403 122.621 121.223 -0.008 0.000 2.081 123 L HA -0.165 4.175 4.340 0.000 0.000 0.212 123 L C 1.818 178.682 176.870 -0.010 0.000 1.080 123 L CA 1.611 56.450 54.840 -0.001 0.000 0.754 123 L CB -0.192 41.874 42.059 0.013 0.000 0.893 123 L HN 0.158 nan 8.230 nan 0.000 0.433 124 L N -1.108 120.103 121.223 -0.019 0.000 2.591 124 L HA 0.259 4.599 4.340 0.000 0.000 0.228 124 L C 1.272 178.116 176.870 -0.043 0.000 1.133 124 L CA 0.463 55.289 54.840 -0.024 0.000 0.880 124 L CB -0.627 41.417 42.059 -0.025 0.000 1.033 124 L HN 0.476 nan 8.230 nan 0.000 0.450 125 G N 0.171 108.942 108.800 -0.048 0.000 2.204 125 G HA2 -0.111 3.849 3.960 0.000 0.000 0.244 125 G HA3 -0.111 3.849 3.960 0.000 0.000 0.244 125 G C 0.810 175.677 174.900 -0.056 0.000 1.062 125 G CA 0.151 45.213 45.100 -0.063 0.000 0.798 125 G HN 0.618 nan 8.290 nan 0.000 0.496 126 G N -2.298 106.474 108.800 -0.048 0.000 2.194 126 G HA2 0.503 4.463 3.960 0.000 0.000 0.236 126 G HA3 0.503 4.463 3.960 0.000 0.000 0.236 126 G C 1.476 176.344 174.900 -0.053 0.000 0.987 126 G CA 0.786 45.858 45.100 -0.047 0.000 0.635 126 G HN 2.996 nan 8.290 nan 0.000 0.520 127 G N -0.816 107.952 108.800 -0.054 0.000 2.340 127 G HA2 0.454 4.414 3.960 0.000 0.000 0.527 127 G HA3 0.454 4.414 3.960 0.000 0.000 0.527 127 G C -0.028 174.843 174.900 -0.048 0.000 1.381 127 G CA -0.222 44.840 45.100 -0.062 0.000 1.001 127 G HN 1.829 nan 8.290 nan 0.000 0.626 128 I N -1.294 119.245 120.570 -0.052 0.000 2.710 128 I HA 0.502 4.672 4.170 0.000 0.000 0.286 128 I C 0.515 176.619 176.117 -0.021 0.000 1.181 128 I CA -0.310 60.980 61.300 -0.016 0.000 1.430 128 I CB 0.499 38.499 38.000 0.000 0.000 1.367 128 I HN 0.659 nan 8.210 nan 0.000 0.577 129 E N 4.169 124.369 120.200 0.000 0.000 2.250 129 E HA 0.456 4.806 4.350 0.000 0.000 0.265 129 E C -0.131 176.471 176.600 0.003 0.000 1.033 129 E CA -0.952 55.446 56.400 -0.004 0.000 0.888 129 E CB 0.857 30.559 29.700 0.003 0.000 1.151 129 E HN 0.759 nan 8.360 nan 0.000 0.412 130 T N -1.595 112.957 114.554 -0.002 0.000 2.816 130 T HA 0.119 4.469 4.350 0.000 0.000 0.282 130 T C 0.409 175.119 174.700 0.015 0.000 0.993 130 T CA -0.632 61.470 62.100 0.003 0.000 0.994 130 T CB 0.739 69.606 68.868 -0.001 0.000 1.025 130 T HN 0.685 nan 8.240 nan 0.000 0.529 131 Q N -1.260 118.555 119.800 0.025 0.000 2.494 131 Q HA -0.171 4.169 4.340 0.000 0.000 0.266 131 Q C -0.123 175.915 176.000 0.064 0.000 1.053 131 Q CA 0.695 56.522 55.803 0.041 0.000 1.029 131 Q CB -2.122 26.631 28.738 0.025 0.000 1.423 131 Q HN 1.124 nan 8.270 nan 0.000 0.516 132 A N -0.329 122.520 122.820 0.049 0.000 2.609 132 A HA 0.790 5.110 4.320 0.000 0.000 0.291 132 A C -1.394 176.189 177.584 -0.002 0.000 1.096 132 A CA -0.715 51.359 52.037 0.060 0.000 0.684 132 A CB 1.331 20.370 19.000 0.066 0.000 1.282 132 A HN 0.094 nan 8.150 nan 0.000 0.412 133 I N 1.233 121.782 120.570 -0.035 0.000 2.362 133 I HA 0.471 4.641 4.170 0.000 0.000 0.289 133 I C -0.001 176.089 176.117 -0.046 0.000 0.994 133 I CA 0.243 61.470 61.300 -0.121 0.000 1.158 133 I CB 1.820 39.634 38.000 -0.310 0.000 1.315 133 I HN 0.542 nan 8.210 nan 0.000 0.451 134 T N 5.899 120.437 114.554 -0.025 0.000 2.771 134 T HA 0.356 4.706 4.350 0.000 0.000 0.281 134 T C -0.318 174.289 174.700 -0.156 0.000 0.982 134 T CA -0.627 61.473 62.100 -0.000 0.000 0.978 134 T CB 1.031 69.984 68.868 0.142 0.000 0.930 134 T HN 0.528 nan 8.240 nan 0.000 0.447 135 E N 2.787 122.912 120.200 -0.125 0.000 2.151 135 E HA 0.547 4.897 4.350 0.000 0.000 0.275 135 E C -1.333 175.180 176.600 -0.145 0.000 0.936 135 E CA -0.695 55.597 56.400 -0.179 0.000 0.777 135 E CB 1.526 31.202 29.700 -0.039 0.000 1.108 135 E HN 0.371 nan 8.360 nan 0.000 0.401 136 V N 6.645 126.381 119.914 -0.297 0.000 2.495 136 V HA 0.679 4.800 4.120 0.000 0.000 0.298 136 V C -1.362 174.705 176.094 -0.044 0.000 1.031 136 V CA -0.465 61.714 62.300 -0.202 0.000 0.871 136 V CB 0.940 32.627 31.823 -0.227 0.000 0.988 136 V HN 0.605 nan 8.190 nan 0.000 0.432 137 F N 4.176 124.140 119.950 0.022 0.000 2.613 137 F HA 1.050 5.577 4.527 0.000 0.000 0.310 137 F C -0.220 175.694 175.800 0.190 0.000 1.085 137 F CA -0.341 57.702 58.000 0.071 0.000 0.945 137 F CB 1.632 40.665 39.000 0.056 0.000 1.298 137 F HN 0.900 nan 8.300 nan 0.000 0.455 138 G N 1.054 110.099 108.800 0.408 0.000 2.320 138 G HA2 0.350 4.310 3.960 0.000 0.000 0.296 138 G HA3 0.350 4.310 3.960 0.000 0.000 0.296 138 G C -1.937 173.130 174.900 0.279 0.000 1.306 138 G CA -1.049 44.272 45.100 0.369 0.000 0.836 138 G HN 0.842 nan 8.290 nan 0.000 0.517 139 E N -0.639 119.709 120.200 0.246 0.000 2.409 139 E HA 0.288 4.638 4.350 0.000 0.000 0.257 139 E C -0.342 176.388 176.600 0.218 0.000 1.150 139 E CA -0.382 56.153 56.400 0.225 0.000 0.942 139 E CB 1.062 30.882 29.700 0.200 0.000 0.979 139 E HN 0.373 nan 8.360 nan 0.000 0.447 140 F N 0.702 120.713 119.950 0.101 0.000 2.607 140 F HA 0.172 4.699 4.527 0.000 0.000 0.374 140 F C 1.308 177.156 175.800 0.080 0.000 1.104 140 F CA 1.447 59.502 58.000 0.092 0.000 1.296 140 F CB 0.183 39.233 39.000 0.083 0.000 1.085 140 F HN 0.595 nan 8.300 nan 0.000 0.584 141 G N 3.016 111.565 108.800 -0.420 0.000 2.159 141 G HA2 -0.319 3.641 3.960 0.000 0.000 0.256 141 G HA3 -0.319 3.641 3.960 0.000 0.000 0.256 141 G C 0.854 175.725 174.900 -0.047 0.000 0.977 141 G CA 0.568 45.557 45.100 -0.185 0.000 0.652 141 G HN 1.322 nan 8.290 nan 0.000 0.531 142 S N -0.196 115.486 115.700 -0.029 0.000 2.607 142 S HA 0.400 4.870 4.470 0.000 0.000 0.224 142 S C 2.086 176.695 174.600 0.015 0.000 0.969 142 S CA 1.133 59.327 58.200 -0.011 0.000 0.927 142 S CB 0.116 63.315 63.200 -0.002 0.000 0.772 142 S HN 2.315 nan 8.310 nan 0.000 0.533 143 G N 2.630 111.438 108.800 0.013 0.000 2.147 143 G HA2 -0.349 3.611 3.960 0.000 0.000 0.244 143 G HA3 -0.349 3.611 3.960 0.000 0.000 0.244 143 G C 0.646 175.626 174.900 0.133 0.000 1.005 143 G CA 0.444 45.595 45.100 0.085 0.000 0.713 143 G HN 0.730 nan 8.290 nan 0.000 0.515 144 K N -1.159 119.299 120.400 0.098 0.000 2.365 144 K HA 0.058 4.378 4.320 0.000 0.000 0.199 144 K C 1.879 178.593 176.600 0.191 0.000 1.045 144 K CA 1.503 57.875 56.287 0.141 0.000 0.962 144 K CB -0.186 32.361 32.500 0.078 0.000 0.759 144 K HN 0.217 nan 8.250 nan 0.000 0.469 145 T N 1.170 115.825 114.554 0.168 0.000 3.014 145 T HA -0.009 4.341 4.350 0.000 0.000 0.263 145 T C 1.683 176.617 174.700 0.391 0.000 1.078 145 T CA 0.596 62.856 62.100 0.267 0.000 1.135 145 T CB 0.093 69.114 68.868 0.255 0.000 0.895 145 T HN 0.210 nan 8.240 nan 0.000 0.480 146 Q N 0.966 120.934 119.800 0.281 0.000 2.049 146 Q HA 0.110 4.450 4.340 0.000 0.000 0.198 146 Q C 2.383 178.506 176.000 0.205 0.000 0.971 146 Q CA 0.842 56.805 55.803 0.267 0.000 0.833 146 Q CB -0.804 28.029 28.738 0.159 0.000 0.896 146 Q HN 0.428 nan 8.270 nan 0.000 0.434 147 L N 0.464 121.759 121.223 0.120 0.000 2.081 147 L HA -0.246 4.094 4.340 0.000 0.000 0.212 147 L C 2.187 178.986 176.870 -0.119 0.000 1.080 147 L CA 1.439 56.263 54.840 -0.027 0.000 0.754 147 L CB -0.359 41.714 42.059 0.024 0.000 0.893 147 L HN 0.177 nan 8.230 nan 0.000 0.433 148 A N -0.977 121.857 122.820 0.023 0.000 1.877 148 A HA -0.282 4.038 4.320 0.000 0.000 0.216 148 A C 1.841 179.415 177.584 -0.016 0.000 1.186 148 A CA 1.861 53.807 52.037 -0.152 0.000 0.620 148 A CB -0.910 18.035 19.000 -0.090 0.000 0.822 148 A HN 0.591 nan 8.150 nan 0.000 0.443 149 H N -0.659 118.610 119.070 0.332 0.000 2.353 149 H HA -0.074 4.482 4.556 0.000 0.000 0.300 149 H C 2.410 177.840 175.328 0.171 0.000 1.090 149 H CA 2.095 58.376 56.048 0.388 0.000 1.327 149 H CB -0.240 29.684 29.762 0.270 0.000 1.383 149 H HN 0.460 nan 8.280 nan 0.000 0.508 150 T N 0.944 115.598 114.554 0.167 0.000 2.622 150 T HA -0.155 4.195 4.350 0.000 0.000 0.266 150 T C 1.900 176.588 174.700 -0.020 0.000 1.047 150 T CA 1.191 63.316 62.100 0.042 0.000 1.159 150 T CB -0.381 68.463 68.868 -0.039 0.000 0.863 150 T HN 0.045 nan 8.240 nan 0.000 0.422 151 L N 1.386 122.528 121.223 -0.135 0.000 2.089 151 L HA -0.093 4.247 4.340 0.000 0.000 0.213 151 L C 2.735 179.553 176.870 -0.087 0.000 1.079 151 L CA 1.524 56.243 54.840 -0.202 0.000 0.758 151 L CB -1.435 40.356 42.059 -0.448 0.000 0.891 151 L HN 0.309 nan 8.230 nan 0.000 0.433 152 A N -1.681 121.153 122.820 0.023 0.000 2.172 152 A HA 0.048 4.368 4.320 0.000 0.000 0.216 152 A C 1.300 178.956 177.584 0.120 0.000 1.154 152 A CA 0.552 52.668 52.037 0.133 0.000 0.701 152 A CB -0.370 18.856 19.000 0.376 0.000 0.789 152 A HN 0.151 nan 8.150 nan 0.000 0.465 156 Q N 1.066 120.860 119.800 -0.009 0.000 2.172 156 Q HA 0.031 4.371 4.340 0.000 0.000 0.200 156 Q C 0.769 176.750 176.000 -0.033 0.000 0.964 156 Q CA 1.609 57.401 55.803 -0.018 0.000 0.855 156 Q CB -0.101 28.648 28.738 0.019 0.000 0.918 156 Q HN 0.742 nan 8.270 nan 0.000 0.444 157 L N -1.508 119.701 121.223 -0.022 0.000 2.456 157 L HA 0.414 4.754 4.340 0.000 0.000 0.257 157 L C -2.498 174.354 176.870 -0.030 0.000 1.162 157 L CA -2.419 52.407 54.840 -0.024 0.000 0.808 157 L CB -0.913 41.136 42.059 -0.017 0.000 1.136 157 L HN -0.290 nan 8.230 nan 0.000 0.466 158 P HA 0.071 nan 4.420 nan 0.000 0.267 158 P C -2.096 175.188 177.300 -0.027 0.000 1.201 158 P CA -0.650 62.434 63.100 -0.027 0.000 0.775 158 P CB -0.097 31.590 31.700 -0.022 0.000 0.854 159 P HA -0.218 nan 4.420 nan 0.000 0.216 159 P C 1.060 178.344 177.300 -0.025 0.000 1.153 159 P CA 1.674 64.757 63.100 -0.027 0.000 0.858 159 P CB -0.106 31.579 31.700 -0.024 0.000 0.789 160 E N -0.696 119.491 120.200 -0.022 0.000 2.209 160 E HA -0.173 4.177 4.350 0.000 0.000 0.196 160 E C 1.593 178.181 176.600 -0.021 0.000 0.993 160 E CA 0.961 57.349 56.400 -0.020 0.000 0.819 160 E CB -0.582 29.108 29.700 -0.017 0.000 0.745 160 E HN 0.307 nan 8.360 nan 0.000 0.477 161 E N -1.247 118.940 120.200 -0.023 0.000 2.474 161 E HA 0.155 4.505 4.350 0.000 0.000 0.195 161 E C 1.055 177.638 176.600 -0.029 0.000 1.039 161 E CA 0.573 56.959 56.400 -0.023 0.000 0.881 161 E CB 0.986 30.674 29.700 -0.020 0.000 0.970 161 E HN 0.314 nan 8.360 nan 0.000 0.486 162 G N 0.282 109.063 108.800 -0.032 0.000 2.211 162 G HA2 -0.189 3.771 3.960 0.000 0.000 0.201 162 G HA3 -0.189 3.771 3.960 0.000 0.000 0.201 162 G C 0.703 175.576 174.900 -0.044 0.000 0.997 162 G CA -0.078 44.998 45.100 -0.040 0.000 0.652 162 G HN 0.518 nan 8.290 nan 0.000 0.500 163 G N -0.852 107.925 108.800 -0.039 0.000 2.606 163 G HA2 0.662 4.622 3.960 0.000 0.000 0.262 163 G HA3 0.662 4.622 3.960 0.000 0.000 0.262 163 G C 0.407 175.284 174.900 -0.038 0.000 1.394 163 G CA -0.397 44.679 45.100 -0.040 0.000 1.044 163 G HN 0.744 nan 8.290 nan 0.000 0.553 164 L N -0.110 121.090 121.223 -0.038 0.000 3.524 164 L HA 0.254 4.594 4.340 0.000 0.000 0.337 164 L C -0.065 176.782 176.870 -0.038 0.000 1.330 164 L CA -0.434 54.386 54.840 -0.035 0.000 0.966 164 L CB 0.235 42.274 42.059 -0.033 0.000 1.395 164 L HN 0.428 nan 8.230 nan 0.000 0.616 165 N N 2.183 120.857 118.700 -0.044 0.000 2.689 165 N HA -0.161 4.579 4.740 0.000 0.000 0.263 165 N C 0.168 175.637 175.510 -0.069 0.000 0.987 165 N CA 1.173 54.186 53.050 -0.062 0.000 0.782 165 N CB -0.477 37.976 38.487 -0.056 0.000 0.903 165 N HN 0.641 nan 8.380 nan 0.000 0.547 166 G N -1.339 107.427 108.800 -0.057 0.000 2.714 166 G HA2 0.649 4.609 3.960 0.000 0.000 0.292 166 G HA3 0.649 4.609 3.960 0.000 0.000 0.292 166 G C -0.377 174.516 174.900 -0.012 0.000 1.308 166 G CA -0.322 44.753 45.100 -0.042 0.000 0.964 166 G HN 0.131 nan 8.290 nan 0.000 0.484 167 S N -1.954 113.764 115.700 0.029 0.000 2.686 167 S HA 0.701 5.171 4.470 0.000 0.000 0.270 167 S C -0.387 174.277 174.600 0.105 0.000 1.194 167 S CA -0.417 57.864 58.200 0.135 0.000 0.990 167 S CB 1.591 64.881 63.200 0.151 0.000 1.029 167 S HN 0.521 nan 8.310 nan 0.000 0.560 168 V N 1.878 121.904 119.914 0.186 0.000 2.686 168 V HA 0.434 4.554 4.120 0.000 0.000 0.306 168 V C -1.067 175.122 176.094 0.158 0.000 1.065 168 V CA -0.628 61.752 62.300 0.134 0.000 0.894 168 V CB 1.762 33.681 31.823 0.160 0.000 1.004 168 V HN 0.642 nan 8.190 nan 0.000 0.424 169 I N 3.899 124.500 120.570 0.052 0.000 2.339 169 I HA 0.380 4.550 4.170 0.000 0.000 0.290 169 I C -0.887 175.256 176.117 0.043 0.000 0.994 169 I CA -0.366 60.959 61.300 0.041 0.000 1.191 169 I CB 1.638 39.610 38.000 -0.048 0.000 1.343 169 I HN 0.738 nan 8.210 nan 0.000 0.458 170 W N 8.344 129.546 121.300 -0.163 0.000 2.475 170 W HA 0.430 5.090 4.660 0.000 0.000 0.320 170 W C -1.433 174.956 176.519 -0.216 0.000 1.022 170 W CA -0.901 56.296 57.345 -0.247 0.000 1.240 170 W CB 1.492 30.650 29.460 -0.503 0.000 1.328 170 W HN 0.178 nan 8.180 nan 0.000 0.439 171 I N 5.452 126.080 120.570 0.096 0.000 2.306 171 I HA 0.056 4.226 4.170 0.000 0.000 0.288 171 I C -0.093 176.124 176.117 0.167 0.000 1.036 171 I CA -0.381 60.964 61.300 0.075 0.000 1.221 171 I CB 0.618 38.607 38.000 -0.019 0.000 1.385 171 I HN 0.282 nan 8.210 nan 0.000 0.472 172 D N 4.327 124.859 120.400 0.219 0.000 2.274 172 D HA 0.284 4.925 4.640 0.000 0.000 0.239 172 D C 1.101 177.443 176.300 0.069 0.000 1.104 172 D CA -0.113 54.027 54.000 0.233 0.000 0.840 172 D CB 1.417 42.347 40.800 0.218 0.000 1.100 172 D HN 0.643 nan 8.370 nan 0.000 0.477 173 T N 0.047 114.625 114.554 0.040 0.000 2.969 173 T HA 0.135 4.485 4.350 0.000 0.000 0.250 173 T C 0.804 175.520 174.700 0.028 0.000 1.021 173 T CA -0.016 62.035 62.100 -0.083 0.000 1.003 173 T CB 0.049 68.687 68.868 -0.382 0.000 1.040 173 T HN 0.363 nan 8.240 nan 0.000 0.492 174 E N 1.473 121.734 120.200 0.102 0.000 2.496 174 E HA 0.256 4.606 4.350 0.000 0.000 0.200 174 E C -0.120 176.595 176.600 0.192 0.000 1.016 174 E CA -0.465 56.032 56.400 0.162 0.000 0.962 174 E CB -0.027 29.769 29.700 0.160 0.000 1.071 174 E HN 0.441 nan 8.360 nan 0.000 0.457 175 N N 1.379 120.198 118.700 0.198 0.000 2.714 175 N HA -0.185 4.555 4.740 0.000 0.000 0.252 175 N C 0.303 175.918 175.510 0.175 0.000 1.014 175 N CA 1.266 54.430 53.050 0.190 0.000 0.735 175 N CB -0.948 37.653 38.487 0.189 0.000 0.924 175 N HN 0.308 nan 8.380 nan 0.000 0.540 176 T N -3.733 110.949 114.554 0.213 0.000 3.085 176 T HA 0.174 4.524 4.350 0.000 0.000 0.264 176 T C 0.190 175.052 174.700 0.270 0.000 1.019 176 T CA -0.490 61.744 62.100 0.224 0.000 0.910 176 T CB -0.206 68.812 68.868 0.249 0.000 1.059 176 T HN 0.289 nan 8.240 nan 0.000 0.542 177 F N 3.982 123.931 119.950 -0.002 0.000 2.444 177 F HA 0.558 5.085 4.527 0.000 0.000 0.360 177 F C -0.138 175.590 175.800 -0.119 0.000 1.106 177 F CA -1.703 56.152 58.000 -0.242 0.000 1.170 177 F CB 0.449 38.983 39.000 -0.777 0.000 1.113 177 F HN -0.153 nan 8.300 nan 0.000 0.521 178 R N 8.807 128.960 120.500 -0.578 0.000 2.272 178 R HA 0.242 4.582 4.340 0.000 0.000 0.323 178 R C -1.955 173.802 176.300 -0.906 0.000 1.002 178 R CA -2.114 53.570 56.100 -0.694 0.000 0.900 178 R CB 0.937 30.988 30.300 -0.415 0.000 1.151 178 R HN 0.414 nan 8.270 nan 0.000 0.507 179 P HA -0.148 nan 4.420 nan 0.000 0.218 179 P C 0.211 177.317 177.300 -0.324 0.000 1.148 179 P CA 1.145 63.874 63.100 -0.619 0.000 0.822 179 P CB 0.598 32.054 31.700 -0.406 0.000 0.784 180 E N 0.120 120.140 120.200 -0.299 0.000 2.160 180 E HA -0.195 4.155 4.350 0.000 0.000 0.195 180 E C 2.211 178.696 176.600 -0.192 0.000 0.991 180 E CA 1.120 57.401 56.400 -0.198 0.000 0.810 180 E CB -0.742 28.855 29.700 -0.173 0.000 0.742 180 E HN 0.116 nan 8.360 nan 0.000 0.466 181 R N 0.349 120.684 120.500 -0.275 0.000 2.153 181 R HA 0.031 4.371 4.340 0.000 0.000 0.218 181 R C 1.684 177.884 176.300 -0.166 0.000 1.072 181 R CA 0.700 56.637 56.100 -0.272 0.000 0.990 181 R CB -0.209 29.791 30.300 -0.500 0.000 0.889 181 R HN 0.108 nan 8.270 nan 0.000 0.452 182 I N 0.929 121.431 120.570 -0.113 0.000 2.162 182 I HA -0.165 4.005 4.170 0.000 0.000 0.238 182 I C 2.384 178.501 176.117 -0.001 0.000 1.076 182 I CA 1.453 62.775 61.300 0.036 0.000 1.353 182 I CB -1.160 36.898 38.000 0.097 0.000 1.063 182 I HN 0.302 nan 8.210 nan 0.000 0.408 183 R N 1.017 121.493 120.500 -0.040 0.000 2.133 183 R HA -0.247 4.093 4.340 0.000 0.000 0.247 183 R C 2.137 178.417 176.300 -0.034 0.000 1.151 183 R CA 2.097 58.175 56.100 -0.037 0.000 0.971 183 R CB -0.365 29.899 30.300 -0.060 0.000 0.866 183 R HN 0.412 nan 8.270 nan 0.000 0.447 184 E N 0.548 120.717 120.200 -0.051 0.000 2.072 184 E HA -0.131 4.219 4.350 0.000 0.000 0.190 184 E C 2.118 178.704 176.600 -0.024 0.000 0.982 184 E CA 1.143 57.518 56.400 -0.043 0.000 0.803 184 E CB -0.052 29.613 29.700 -0.059 0.000 0.755 184 E HN 0.502 nan 8.360 nan 0.000 0.453 185 I N 1.067 121.627 120.570 -0.017 0.000 2.286 185 I HA -0.262 3.908 4.170 0.000 0.000 0.248 185 I C 2.570 178.692 176.117 0.009 0.000 1.115 185 I CA 0.965 62.267 61.300 0.003 0.000 1.392 185 I CB -0.337 37.680 38.000 0.030 0.000 1.065 185 I HN 0.110 nan 8.210 nan 0.000 0.418 186 A N 0.343 123.170 122.820 0.012 0.000 1.841 186 A HA -0.280 4.040 4.320 0.000 0.000 0.214 186 A C 2.217 179.803 177.584 0.004 0.000 1.195 186 A CA 1.804 53.850 52.037 0.014 0.000 0.611 186 A CB -0.799 18.213 19.000 0.021 0.000 0.835 186 A HN 0.380 nan 8.150 nan 0.000 0.443 187 Q N 0.593 120.391 119.800 -0.003 0.000 2.082 187 Q HA -0.259 4.081 4.340 0.000 0.000 0.211 187 Q C 1.278 177.275 176.000 -0.005 0.000 1.002 187 Q CA 2.682 58.482 55.803 -0.006 0.000 0.868 187 Q CB -0.585 28.144 28.738 -0.014 0.000 0.931 187 Q HN 0.692 nan 8.270 nan 0.000 0.414 188 N N -0.725 117.972 118.700 -0.006 0.000 2.521 188 N HA 0.013 4.753 4.740 0.000 0.000 0.188 188 N C 0.579 176.088 175.510 -0.002 0.000 1.146 188 N CA 0.316 53.363 53.050 -0.005 0.000 0.893 188 N CB 0.286 38.770 38.487 -0.005 0.000 0.975 188 N HN 0.111 nan 8.380 nan 0.000 0.451 189 R N -0.162 120.337 120.500 -0.001 0.000 2.362 189 R HA 0.248 4.588 4.340 0.000 0.000 0.227 189 R C 0.327 176.627 176.300 -0.000 0.000 0.905 189 R CA 0.091 56.191 56.100 -0.001 0.000 1.067 189 R CB 0.031 30.332 30.300 0.001 0.000 1.078 189 R HN 0.162 nan 8.270 nan 0.000 0.516 190 G N 1.810 110.610 108.800 0.000 0.000 2.341 190 G HA2 -0.219 3.741 3.960 0.000 0.000 0.278 190 G HA3 -0.219 3.741 3.960 0.000 0.000 0.278 190 G C -0.194 174.708 174.900 0.003 0.000 1.111 190 G CA 0.081 45.182 45.100 0.000 0.000 0.982 190 G HN 0.157 nan 8.290 nan 0.000 0.502 191 L N -1.295 119.931 121.223 0.006 0.000 2.277 191 L HA 0.625 4.965 4.340 0.000 0.000 0.254 191 L C -0.471 176.406 176.870 0.012 0.000 1.044 191 L CA -1.203 53.644 54.840 0.011 0.000 0.842 191 L CB 1.680 43.750 42.059 0.017 0.000 1.422 191 L HN 0.113 nan 8.230 nan 0.000 0.422 192 D N 1.987 122.397 120.400 0.018 0.000 2.441 192 D HA 0.184 4.824 4.640 0.000 0.000 0.221 192 D C -1.428 174.881 176.300 0.015 0.000 1.156 192 D CA -1.942 52.067 54.000 0.014 0.000 0.896 192 D CB 1.084 41.895 40.800 0.018 0.000 1.028 192 D HN 0.152 nan 8.370 nan 0.000 0.509 193 P HA -0.210 nan 4.420 nan 0.000 0.218 193 P C 0.422 177.719 177.300 -0.005 0.000 1.152 193 P CA 1.206 64.306 63.100 -0.000 0.000 0.857 193 P CB 0.429 32.121 31.700 -0.014 0.000 0.787 194 D N -0.858 119.537 120.400 -0.008 0.000 2.219 194 D HA -0.122 4.518 4.640 0.000 0.000 0.205 194 D C 2.143 178.434 176.300 -0.014 0.000 0.970 194 D CA 0.871 54.861 54.000 -0.016 0.000 0.851 194 D CB -0.267 40.524 40.800 -0.016 0.000 0.943 194 D HN 0.194 nan 8.370 nan 0.000 0.488 195 E N 0.176 120.383 120.200 0.011 0.000 2.024 195 E HA -0.052 4.298 4.350 0.000 0.000 0.190 195 E C 2.425 179.061 176.600 0.061 0.000 0.974 195 E CA 0.269 56.691 56.400 0.036 0.000 0.810 195 E CB -0.389 29.355 29.700 0.073 0.000 0.775 195 E HN 0.059 nan 8.360 nan 0.000 0.453 196 V N 2.273 122.239 119.914 0.087 0.000 2.252 196 V HA -0.302 3.818 4.120 0.000 0.000 0.255 196 V C 2.472 178.610 176.094 0.075 0.000 1.071 196 V CA 1.865 64.234 62.300 0.115 0.000 1.050 196 V CB -0.773 31.100 31.823 0.082 0.000 0.654 196 V HN 0.295 nan 8.190 nan 0.000 0.448 197 L N -0.481 120.753 121.223 0.019 0.000 2.721 197 L HA -0.124 4.216 4.340 0.000 0.000 0.241 197 L C 1.955 178.752 176.870 -0.122 0.000 1.168 197 L CA 1.090 55.919 54.840 -0.018 0.000 0.866 197 L CB -0.698 41.343 42.059 -0.030 0.000 0.996 197 L HN 0.399 nan 8.230 nan 0.000 0.451 198 K N -1.349 118.934 120.400 -0.195 0.000 2.358 198 K HA 0.132 4.452 4.320 0.000 0.000 0.200 198 K C 0.520 176.726 176.600 -0.656 0.000 1.030 198 K CA 0.086 56.115 56.287 -0.429 0.000 1.097 198 K CB 0.524 32.751 32.500 -0.455 0.000 0.862 198 K HN 0.338 nan 8.250 nan 0.000 0.534 199 H N 0.033 119.088 119.070 -0.025 0.000 2.510 199 H HA 0.327 4.883 4.556 0.000 0.000 0.266 199 H C -0.489 174.954 175.328 0.192 0.000 1.146 199 H CA -0.069 56.059 56.048 0.134 0.000 0.993 199 H CB 0.545 30.381 29.762 0.123 0.000 1.727 199 H HN -0.008 nan 8.280 nan 0.000 0.590 200 I N 1.135 121.738 120.570 0.055 0.000 2.499 200 I HA 0.213 4.383 4.170 0.000 0.000 0.288 200 I C -1.221 174.858 176.117 -0.064 0.000 1.048 200 I CA -0.878 60.505 61.300 0.138 0.000 1.062 200 I CB 2.008 40.079 38.000 0.118 0.000 1.238 200 I HN -0.074 nan 8.210 nan 0.000 0.426 201 Y N 5.326 125.616 120.300 -0.018 0.000 2.326 201 Y HA 0.536 5.086 4.550 0.000 0.000 0.329 201 Y C 0.020 175.872 175.900 -0.080 0.000 0.973 201 Y CA -1.123 56.954 58.100 -0.038 0.000 1.162 201 Y CB 1.716 40.163 38.460 -0.021 0.000 1.147 201 Y HN 0.231 nan 8.280 nan 0.000 0.456 202 V N -0.035 119.868 119.914 -0.017 0.000 2.975 202 V HA 1.048 5.169 4.120 0.000 0.000 0.318 202 V C -0.223 175.862 176.094 -0.017 0.000 1.077 202 V CA -1.277 60.966 62.300 -0.095 0.000 1.000 202 V CB 1.672 33.309 31.823 -0.310 0.000 1.066 202 V HN 0.869 nan 8.190 nan 0.000 0.452 203 A N 1.813 124.614 122.820 -0.032 0.000 2.488 203 A HA 0.739 5.059 4.320 0.000 0.000 0.295 203 A C -0.598 176.914 177.584 -0.120 0.000 1.045 203 A CA -0.869 51.127 52.037 -0.067 0.000 0.703 203 A CB 1.615 20.561 19.000 -0.090 0.000 1.271 203 A HN 0.745 nan 8.150 nan 0.000 0.400 204 R N 1.180 121.565 120.500 -0.193 0.000 2.254 204 R HA 0.573 4.913 4.340 0.000 0.000 0.318 204 R C -0.142 175.778 176.300 -0.634 0.000 1.031 204 R CA -0.104 55.811 56.100 -0.308 0.000 0.905 204 R CB 1.718 31.860 30.300 -0.263 0.000 1.050 204 R HN 0.829 nan 8.270 nan 0.000 0.456 205 A N 3.849 126.410 122.820 -0.431 0.000 2.249 205 A HA 0.388 4.708 4.320 0.000 0.000 0.314 205 A C 0.233 177.872 177.584 0.092 0.000 1.290 205 A CA -0.592 51.230 52.037 -0.359 0.000 0.893 205 A CB 0.079 18.957 19.000 -0.203 0.000 1.165 205 A HN 0.836 nan 8.150 nan 0.000 0.530 206 F N 1.528 121.858 119.950 0.632 0.000 2.754 206 F HA 0.107 4.634 4.527 0.000 0.000 0.297 206 F C 0.967 176.756 175.800 -0.018 0.000 1.122 206 F CA 0.335 58.526 58.000 0.318 0.000 1.400 206 F CB 0.245 39.327 39.000 0.136 0.000 1.117 206 F HN 0.775 nan 8.300 nan 0.000 0.587 207 N N -2.992 115.792 118.700 0.139 0.000 3.348 207 N HA 0.064 4.804 4.740 0.000 0.000 0.233 207 N C 0.031 175.581 175.510 0.066 0.000 1.440 207 N CA -0.274 52.563 53.050 -0.354 0.000 0.887 207 N CB 0.587 38.937 38.487 -0.229 0.000 1.410 207 N HN -0.291 nan 8.380 nan 0.000 0.502 208 S N 0.011 115.620 115.700 -0.152 0.000 2.368 208 S HA -0.187 4.283 4.470 0.000 0.000 0.226 208 S C 1.235 175.721 174.600 -0.190 0.000 1.044 208 S CA 1.593 59.553 58.200 -0.400 0.000 1.062 208 S CB -0.682 62.103 63.200 -0.691 0.000 0.931 208 S HN 0.646 nan 8.310 nan 0.000 0.440 209 N N 0.511 119.173 118.700 -0.065 0.000 2.166 209 N HA -0.133 4.607 4.740 0.000 0.000 0.186 209 N C 1.576 177.136 175.510 0.083 0.000 1.019 209 N CA 1.093 54.154 53.050 0.017 0.000 0.856 209 N CB -0.649 37.856 38.487 0.030 0.000 0.993 209 N HN 0.647 nan 8.380 nan 0.000 0.426 210 H N 0.679 119.737 119.070 -0.019 0.000 2.293 210 H HA -0.052 4.504 4.556 0.000 0.000 0.300 210 H C 1.168 176.490 175.328 -0.011 0.000 1.082 210 H CA 0.728 56.776 56.048 0.001 0.000 1.308 210 H CB 0.253 30.026 29.762 0.020 0.000 1.375 210 H HN 0.252 nan 8.280 nan 0.000 0.495 214 L N 0.860 122.084 121.223 0.001 0.000 2.043 214 L HA -0.142 4.198 4.340 0.000 0.000 0.212 214 L C 2.587 179.462 176.870 0.009 0.000 1.075 214 L CA 2.035 56.853 54.840 -0.036 0.000 0.752 214 L CB -0.964 41.015 42.059 -0.133 0.000 0.891 214 L HN 0.089 nan 8.230 nan 0.000 0.432 215 V N -1.063 118.890 119.914 0.066 0.000 2.343 215 V HA -0.318 3.802 4.120 0.000 0.000 0.247 215 V C 2.398 178.518 176.094 0.043 0.000 1.051 215 V CA 1.633 63.970 62.300 0.062 0.000 1.036 215 V CB -0.756 31.142 31.823 0.125 0.000 0.654 215 V HN 0.521 nan 8.190 nan 0.000 0.451 216 Q N -0.420 119.418 119.800 0.064 0.000 2.224 216 Q HA -0.201 4.139 4.340 0.000 0.000 0.203 216 Q C 2.330 178.347 176.000 0.029 0.000 0.970 216 Q CA 1.296 57.130 55.803 0.053 0.000 0.865 216 Q CB -0.165 28.611 28.738 0.064 0.000 0.922 216 Q HN 0.710 nan 8.270 nan 0.000 0.445 217 Q N 0.139 119.951 119.800 0.020 0.000 2.096 217 Q HA -0.048 4.292 4.340 0.000 0.000 0.197 217 Q C 2.247 178.232 176.000 -0.025 0.000 0.964 217 Q CA 0.922 56.728 55.803 0.004 0.000 0.838 217 Q CB -0.174 28.570 28.738 0.010 0.000 0.906 217 Q HN 0.369 nan 8.270 nan 0.000 0.444 218 A N 1.884 124.682 122.820 -0.036 0.000 1.903 218 A HA -0.341 3.979 4.320 0.000 0.000 0.219 218 A C 1.928 179.442 177.584 -0.116 0.000 1.191 218 A CA 1.982 53.973 52.037 -0.076 0.000 0.638 218 A CB -0.824 18.131 19.000 -0.074 0.000 0.823 218 A HN 0.512 nan 8.150 nan 0.000 0.451 219 E N -0.401 119.744 120.200 -0.091 0.000 2.279 219 E HA -0.299 4.051 4.350 0.000 0.000 0.205 219 E C 1.361 177.868 176.600 -0.154 0.000 1.028 219 E CA 1.838 58.163 56.400 -0.126 0.000 0.830 219 E CB -0.184 29.509 29.700 -0.012 0.000 0.736 219 E HN 0.654 nan 8.360 nan 0.000 0.478 220 D N -0.605 119.733 120.400 -0.102 0.000 2.137 220 D HA -0.106 4.534 4.640 0.000 0.000 0.202 220 D C 1.839 178.058 176.300 -0.135 0.000 0.970 220 D CA 0.954 54.899 54.000 -0.091 0.000 0.837 220 D CB -0.020 40.751 40.800 -0.048 0.000 0.981 220 D HN 0.046 nan 8.370 nan 0.000 0.475 221 K N 1.166 121.470 120.400 -0.161 0.000 2.057 221 K HA -0.107 4.213 4.320 0.000 0.000 0.206 221 K C 1.927 178.366 176.600 -0.270 0.000 1.050 221 K CA 0.707 56.861 56.287 -0.222 0.000 0.935 221 K CB -0.496 31.846 32.500 -0.262 0.000 0.715 221 K HN -0.035 nan 8.250 nan 0.000 0.439 222 I N 1.454 121.842 120.570 -0.303 0.000 2.127 222 I HA -0.290 3.880 4.170 0.000 0.000 0.241 222 I C 2.016 177.919 176.117 -0.357 0.000 1.075 222 I CA 1.674 62.737 61.300 -0.394 0.000 1.334 222 I CB -0.446 37.170 38.000 -0.640 0.000 1.040 222 I HN 0.148 nan 8.210 nan 0.000 0.405 223 K N -0.058 120.144 120.400 -0.329 0.000 2.032 223 K HA -0.250 4.070 4.320 0.000 0.000 0.209 223 K C 2.159 178.694 176.600 -0.107 0.000 1.048 223 K CA 1.697 57.883 56.287 -0.169 0.000 0.927 223 K CB -0.327 32.121 32.500 -0.088 0.000 0.712 223 K HN 0.374 nan 8.250 nan 0.000 0.441 224 E N 0.490 120.618 120.200 -0.119 0.000 2.097 224 E HA -0.223 4.127 4.350 0.000 0.000 0.196 224 E C 1.395 177.947 176.600 -0.080 0.000 1.000 224 E CA 1.216 57.564 56.400 -0.087 0.000 0.804 224 E CB 0.170 29.809 29.700 -0.102 0.000 0.740 224 E HN 0.094 nan 8.360 nan 0.000 0.454 225 L N 0.524 121.676 121.223 -0.118 0.000 2.556 225 L HA 0.009 4.349 4.340 0.000 0.000 0.226 225 L C 1.906 178.741 176.870 -0.059 0.000 1.089 225 L CA 0.273 55.063 54.840 -0.084 0.000 0.864 225 L CB -0.397 41.587 42.059 -0.125 0.000 1.067 225 L HN 0.242 nan 8.230 nan 0.000 0.477 226 L N 1.466 122.644 121.223 -0.075 0.000 2.010 226 L HA -0.273 4.067 4.340 0.000 0.000 0.219 226 L C 1.365 178.236 176.870 0.001 0.000 1.077 226 L CA 2.588 57.408 54.840 -0.032 0.000 0.773 226 L CB -0.876 41.176 42.059 -0.011 0.000 0.892 226 L HN 0.660 nan 8.230 nan 0.000 0.436 227 N N -1.821 116.882 118.700 0.004 0.000 2.471 227 N HA -0.033 4.707 4.740 0.000 0.000 0.205 227 N C 0.289 175.803 175.510 0.008 0.000 1.251 227 N CA 0.080 53.137 53.050 0.011 0.000 0.843 227 N CB -0.094 38.402 38.487 0.014 0.000 1.044 227 N HN 0.210 nan 8.380 nan 0.000 0.461 228 T N -0.043 114.513 114.554 0.004 0.000 2.893 228 T HA 0.096 4.446 4.350 0.000 0.000 0.279 228 T C 0.616 175.318 174.700 0.003 0.000 0.991 228 T CA -0.336 61.769 62.100 0.008 0.000 0.950 228 T CB 0.984 69.861 68.868 0.016 0.000 1.223 228 T HN 0.400 nan 8.240 nan 0.000 0.585 229 D N -0.821 119.580 120.400 0.002 0.000 2.354 229 D HA 0.029 4.669 4.640 0.000 0.000 0.209 229 D C 0.870 177.153 176.300 -0.029 0.000 1.015 229 D CA 0.201 54.195 54.000 -0.010 0.000 0.867 229 D CB 0.320 41.115 40.800 -0.009 0.000 0.933 229 D HN 0.220 nan 8.370 nan 0.000 0.520 230 R N 0.462 120.944 120.500 -0.029 0.000 2.629 230 R HA 0.339 4.679 4.340 0.000 0.000 0.277 230 R C -2.817 173.470 176.300 -0.023 0.000 1.637 230 R CA -1.769 54.295 56.100 -0.060 0.000 1.663 230 R CB 0.935 31.145 30.300 -0.150 0.000 1.228 230 R HN 0.037 nan 8.270 nan 0.000 0.632 231 P HA 0.031 nan 4.420 nan 0.000 0.275 231 P C -0.544 176.734 177.300 -0.037 0.000 1.266 231 P CA -0.457 62.625 63.100 -0.031 0.000 0.793 231 P CB 0.682 32.371 31.700 -0.018 0.000 1.074 232 V N 1.974 121.847 119.914 -0.069 0.000 2.572 232 V HA 0.079 4.199 4.120 0.000 0.000 0.291 232 V C 1.279 177.349 176.094 -0.040 0.000 1.039 232 V CA 0.721 62.979 62.300 -0.069 0.000 1.055 232 V CB 0.167 31.912 31.823 -0.130 0.000 0.969 232 V HN 0.565 nan 8.190 nan 0.000 0.482 233 K N 2.940 123.323 120.400 -0.028 0.000 2.521 233 K HA 0.348 4.668 4.320 0.000 0.000 0.213 233 K C -0.725 175.856 176.600 -0.032 0.000 1.223 233 K CA -0.169 56.105 56.287 -0.023 0.000 1.013 233 K CB 1.242 33.729 32.500 -0.023 0.000 1.017 233 K HN 0.471 nan 8.250 nan 0.000 0.591 234 L N 1.144 122.343 121.223 -0.039 0.000 2.438 234 L HA 0.509 4.849 4.340 0.000 0.000 0.270 234 L C -1.778 175.049 176.870 -0.071 0.000 0.972 234 L CA -0.691 54.112 54.840 -0.060 0.000 0.831 234 L CB 1.875 43.888 42.059 -0.076 0.000 1.273 234 L HN -0.027 nan 8.230 nan 0.000 0.405 235 L N 6.030 127.200 121.223 -0.088 0.000 2.372 235 L HA 0.642 4.982 4.340 0.000 0.000 0.274 235 L C -1.227 175.545 176.870 -0.163 0.000 0.988 235 L CA -0.296 54.477 54.840 -0.113 0.000 0.833 235 L CB 1.271 43.273 42.059 -0.095 0.000 1.236 235 L HN 0.623 nan 8.230 nan 0.000 0.410 236 I N 5.173 125.572 120.570 -0.286 0.000 2.392 236 I HA 0.413 4.583 4.170 0.000 0.000 0.295 236 I C -0.700 175.164 176.117 -0.421 0.000 0.985 236 I CA -0.867 60.164 61.300 -0.449 0.000 1.221 236 I CB 2.016 39.389 38.000 -1.046 0.000 1.366 236 I HN 0.241 nan 8.210 nan 0.000 0.467 237 V N 4.450 124.178 119.914 -0.311 0.000 2.380 237 V HA 0.313 4.433 4.120 0.000 0.000 0.286 237 V C -1.090 174.897 176.094 -0.178 0.000 1.015 237 V CA -0.354 61.829 62.300 -0.195 0.000 0.834 237 V CB 1.521 33.274 31.823 -0.116 0.000 1.009 237 V HN 0.700 nan 8.190 nan 0.000 0.428 238 D N 3.036 123.364 120.400 -0.121 0.000 2.476 238 D HA 0.388 5.028 4.640 0.000 0.000 0.251 238 D C -0.462 175.883 176.300 0.076 0.000 1.291 238 D CA 0.024 54.011 54.000 -0.020 0.000 0.939 238 D CB 2.099 42.901 40.800 0.003 0.000 1.221 238 D HN 0.456 nan 8.370 nan 0.000 0.567 239 S N 3.020 118.738 115.700 0.030 0.000 2.616 239 S HA 0.301 4.771 4.470 0.000 0.000 0.277 239 S C 0.878 175.478 174.600 0.000 0.000 1.234 239 S CA -0.719 57.486 58.200 0.009 0.000 1.028 239 S CB 1.099 64.323 63.200 0.039 0.000 0.988 239 S HN 0.519 nan 8.310 nan 0.000 0.522 240 L N 4.395 125.627 121.223 0.015 0.000 2.095 240 L HA 0.114 4.454 4.340 0.000 0.000 0.204 240 L C 2.422 179.410 176.870 0.196 0.000 1.080 240 L CA 2.520 57.409 54.840 0.082 0.000 0.759 240 L CB -0.799 41.260 42.059 -0.001 0.000 0.914 240 L HN 0.959 nan 8.230 nan 0.000 0.439 241 T N -4.609 110.030 114.554 0.141 0.000 3.044 241 T HA -0.024 4.326 4.350 0.000 0.000 0.255 241 T C 2.021 176.859 174.700 0.231 0.000 1.073 241 T CA 0.748 62.972 62.100 0.206 0.000 1.125 241 T CB -0.446 68.481 68.868 0.100 0.000 0.908 241 T HN 0.330 nan 8.240 nan 0.000 0.480 242 S N 1.890 117.673 115.700 0.139 0.000 2.422 242 S HA -0.411 4.059 4.470 0.000 0.000 0.248 242 S C 1.887 176.614 174.600 0.211 0.000 1.069 242 S CA 2.374 60.651 58.200 0.129 0.000 1.214 242 S CB -1.053 62.166 63.200 0.032 0.000 1.122 242 S HN 0.836 nan 8.310 nan 0.000 0.432 243 H N -1.254 117.865 119.070 0.080 0.000 2.353 243 H HA -0.028 4.528 4.556 0.000 0.000 0.300 243 H C 2.060 177.383 175.328 -0.008 0.000 1.090 243 H CA 1.577 57.612 56.048 -0.021 0.000 1.327 243 H CB -0.265 29.402 29.762 -0.158 0.000 1.383 243 H HN 0.476 nan 8.280 nan 0.000 0.508 244 F N 1.099 121.208 119.950 0.265 0.000 2.126 244 F HA -0.186 4.341 4.527 0.000 0.000 0.299 244 F C 2.520 178.480 175.800 0.267 0.000 1.096 244 F CA 1.372 59.537 58.000 0.275 0.000 1.255 244 F CB -0.092 38.977 39.000 0.114 0.000 0.997 244 F HN 0.146 nan 8.300 nan 0.000 0.479 245 R N -0.709 119.998 120.500 0.345 0.000 2.328 245 R HA 0.090 4.430 4.340 0.000 0.000 0.200 245 R C 1.045 177.453 176.300 0.181 0.000 0.983 245 R CA 1.164 57.402 56.100 0.231 0.000 1.062 245 R CB -0.362 30.037 30.300 0.165 0.000 0.956 245 R HN 0.040 nan 8.270 nan 0.000 0.479 246 S N 0.246 116.050 115.700 0.173 0.000 2.613 246 S HA 0.091 4.561 4.470 0.000 0.000 0.235 246 S C 0.976 175.590 174.600 0.022 0.000 1.073 246 S CA -0.153 58.103 58.200 0.094 0.000 0.899 246 S CB 0.539 63.794 63.200 0.092 0.000 0.818 246 S HN 0.438 nan 8.310 nan 0.000 0.484 247 E N 0.104 120.297 120.200 -0.012 0.000 2.318 247 E HA 0.038 4.388 4.350 0.000 0.000 0.193 247 E C -0.714 175.632 176.600 -0.423 0.000 0.998 247 E CA 0.563 56.813 56.400 -0.249 0.000 0.859 247 E CB 0.151 29.618 29.700 -0.389 0.000 0.812 247 E HN 0.484 nan 8.360 nan 0.000 0.492 248 Y N 1.175 121.506 120.300 0.053 0.000 2.587 248 Y HA 0.257 4.807 4.550 0.000 0.000 0.328 248 Y C -0.100 175.827 175.900 0.045 0.000 0.980 248 Y CA -0.737 57.398 58.100 0.059 0.000 1.272 248 Y CB 0.636 39.154 38.460 0.097 0.000 1.094 248 Y HN -0.111 nan 8.280 nan 0.000 0.503 249 I N 2.475 123.107 120.570 0.104 0.000 2.437 249 I HA 0.555 4.725 4.170 0.000 0.000 0.298 249 I C 0.847 177.006 176.117 0.069 0.000 0.984 249 I CA -0.285 61.060 61.300 0.074 0.000 1.214 249 I CB 1.026 39.046 38.000 0.033 0.000 1.365 249 I HN 0.752 nan 8.210 nan 0.000 0.469 250 G N 5.929 114.763 108.800 0.056 0.000 2.915 250 G HA2 -0.208 3.752 3.960 0.000 0.000 0.337 250 G HA3 -0.208 3.752 3.960 0.000 0.000 0.337 250 G C -0.018 174.910 174.900 0.047 0.000 1.477 250 G CA -0.626 44.500 45.100 0.043 0.000 0.916 250 G HN 0.580 nan 8.290 nan 0.000 0.550 251 R N 0.126 120.645 120.500 0.032 0.000 2.840 251 R HA 0.534 4.874 4.340 0.000 0.000 0.282 251 R C 2.153 178.475 176.300 0.037 0.000 1.133 251 R CA 1.159 57.275 56.100 0.027 0.000 1.208 251 R CB -0.584 29.726 30.300 0.016 0.000 1.160 251 R HN 2.432 nan 8.270 nan 0.000 0.576 252 G N -1.425 107.394 108.800 0.033 0.000 2.302 252 G HA2 -0.348 3.612 3.960 0.000 0.000 0.263 252 G HA3 -0.348 3.612 3.960 0.000 0.000 0.263 252 G C 0.799 175.738 174.900 0.066 0.000 0.995 252 G CA 1.092 46.216 45.100 0.040 0.000 0.622 252 G HN 0.725 nan 8.290 nan 0.000 0.538 253 A N -0.828 122.044 122.820 0.087 0.000 1.984 253 A HA 0.643 4.963 4.320 0.000 0.000 0.203 253 A C 2.146 179.796 177.584 0.110 0.000 1.292 253 A CA 1.443 53.579 52.037 0.164 0.000 0.782 253 A CB -0.199 18.929 19.000 0.213 0.000 0.924 253 A HN 0.689 nan 8.150 nan 0.000 0.475 254 L N 0.605 121.859 121.223 0.052 0.000 2.137 254 L HA -0.247 4.093 4.340 0.000 0.000 0.213 254 L C 2.891 179.738 176.870 -0.038 0.000 1.085 254 L CA 1.881 56.715 54.840 -0.010 0.000 0.760 254 L CB -0.896 41.151 42.059 -0.020 0.000 0.893 254 L HN 0.434 nan 8.230 nan 0.000 0.434 255 A N -0.624 122.190 122.820 -0.010 0.000 1.849 255 A HA -0.322 3.998 4.320 0.000 0.000 0.217 255 A C 2.391 179.954 177.584 -0.036 0.000 1.202 255 A CA 2.179 54.206 52.037 -0.017 0.000 0.629 255 A CB -0.742 18.262 19.000 0.007 0.000 0.834 255 A HN 0.523 nan 8.150 nan 0.000 0.447 256 E N -0.706 119.483 120.200 -0.018 0.000 2.152 256 E HA -0.192 4.158 4.350 0.000 0.000 0.192 256 E C 2.236 178.699 176.600 -0.230 0.000 0.983 256 E CA 0.827 57.202 56.400 -0.041 0.000 0.818 256 E CB -0.132 29.626 29.700 0.097 0.000 0.758 256 E HN 0.576 nan 8.360 nan 0.000 0.467 257 R N 0.132 120.389 120.500 -0.406 0.000 2.109 257 R HA -0.202 4.138 4.340 0.000 0.000 0.227 257 R C 2.482 178.582 176.300 -0.334 0.000 1.132 257 R CA 2.156 57.894 56.100 -0.603 0.000 0.907 257 R CB -0.168 29.897 30.300 -0.390 0.000 0.825 257 R HN 0.179 nan 8.270 nan 0.000 0.432 258 Q N 0.381 120.060 119.800 -0.202 0.000 2.112 258 Q HA -0.260 4.080 4.340 0.000 0.000 0.206 258 Q C 2.053 177.988 176.000 -0.108 0.000 0.987 258 Q CA 1.733 57.465 55.803 -0.117 0.000 0.858 258 Q CB -0.518 28.183 28.738 -0.062 0.000 0.905 258 Q HN 0.401 nan 8.270 nan 0.000 0.420 259 Q N 0.736 120.475 119.800 -0.101 0.000 2.062 259 Q HA -0.175 4.165 4.340 0.000 0.000 0.209 259 Q C 1.872 177.841 176.000 -0.051 0.000 0.996 259 Q CA 1.728 57.493 55.803 -0.063 0.000 0.859 259 Q CB 0.063 28.775 28.738 -0.043 0.000 0.920 259 Q HN 0.102 nan 8.270 nan 0.000 0.415 260 K N -0.152 120.207 120.400 -0.068 0.000 2.076 260 K HA -0.019 4.301 4.320 0.000 0.000 0.204 260 K C 2.135 178.693 176.600 -0.071 0.000 1.051 260 K CA 0.595 56.880 56.287 -0.004 0.000 0.949 260 K CB -0.732 31.826 32.500 0.097 0.000 0.726 260 K HN 0.303 nan 8.250 nan 0.000 0.443 261 L N 0.983 122.024 121.223 -0.304 0.000 1.971 261 L HA -0.273 4.067 4.340 0.000 0.000 0.215 261 L C 2.322 179.110 176.870 -0.136 0.000 1.072 261 L CA 1.850 56.391 54.840 -0.498 0.000 0.758 261 L CB -0.556 41.151 42.059 -0.586 0.000 0.889 261 L HN 0.169 nan 8.230 nan 0.000 0.433 262 A N -0.518 122.278 122.820 -0.040 0.000 1.927 262 A HA -0.303 4.017 4.320 0.000 0.000 0.220 262 A C 2.315 179.924 177.584 0.042 0.000 1.185 262 A CA 2.179 54.246 52.037 0.050 0.000 0.639 262 A CB -0.624 18.386 19.000 0.016 0.000 0.820 262 A HN 0.352 nan 8.150 nan 0.000 0.451 263 K N -0.749 119.672 120.400 0.035 0.000 2.148 263 K HA -0.159 4.161 4.320 0.000 0.000 0.204 263 K C 1.892 178.565 176.600 0.120 0.000 1.050 263 K CA 1.766 58.092 56.287 0.065 0.000 0.942 263 K CB -0.619 31.920 32.500 0.064 0.000 0.724 263 K HN 0.851 nan 8.250 nan 0.000 0.446 264 H N -0.515 118.554 119.070 -0.002 0.000 2.261 264 H HA -0.113 4.443 4.556 0.000 0.000 0.301 264 H C 1.899 177.221 175.328 -0.009 0.000 1.067 264 H CA 1.300 57.356 56.048 0.014 0.000 1.297 264 H CB 0.236 30.004 29.762 0.010 0.000 1.377 264 H HN -0.036 nan 8.280 nan 0.000 0.492 265 L N 1.217 122.411 121.223 -0.049 0.000 2.051 265 L HA -0.209 4.131 4.340 0.000 0.000 0.214 265 L C 2.903 179.781 176.870 0.014 0.000 1.076 265 L CA 1.860 56.633 54.840 -0.112 0.000 0.758 265 L CB -1.248 40.795 42.059 -0.027 0.000 0.890 265 L HN 0.401 nan 8.230 nan 0.000 0.433 266 A N -1.191 121.687 122.820 0.096 0.000 1.972 266 A HA -0.214 4.106 4.320 0.000 0.000 0.219 266 A C 2.040 179.671 177.584 0.080 0.000 1.169 266 A CA 1.815 53.927 52.037 0.124 0.000 0.635 266 A CB -0.552 18.488 19.000 0.067 0.000 0.810 266 A HN 0.447 nan 8.150 nan 0.000 0.446 267 D N -0.023 120.401 120.400 0.039 0.000 2.144 267 D HA -0.088 4.552 4.640 0.000 0.000 0.200 267 D C 1.978 178.270 176.300 -0.013 0.000 0.978 267 D CA 1.013 55.032 54.000 0.031 0.000 0.833 267 D CB -0.193 40.645 40.800 0.064 0.000 0.961 267 D HN 0.471 nan 8.370 nan 0.000 0.470 268 L N 0.321 121.479 121.223 -0.108 0.000 2.027 268 L HA -0.148 4.192 4.340 0.000 0.000 0.206 268 L C 2.568 179.379 176.870 -0.098 0.000 1.074 268 L CA 0.906 55.650 54.840 -0.160 0.000 0.745 268 L CB -0.549 41.326 42.059 -0.307 0.000 0.898 268 L HN 0.124 nan 8.230 nan 0.000 0.433 269 H N 0.077 119.117 119.070 -0.051 0.000 2.319 269 H HA -0.224 4.332 4.556 0.000 0.000 0.297 269 H C 2.419 177.739 175.328 -0.014 0.000 1.097 269 H CA 1.982 58.013 56.048 -0.028 0.000 1.285 269 H CB -0.141 29.604 29.762 -0.029 0.000 1.368 269 H HN 0.242 nan 8.280 nan 0.000 0.495 270 R N 0.657 121.229 120.500 0.120 0.000 2.097 270 R HA -0.138 4.202 4.340 0.000 0.000 0.236 270 R C 2.657 178.997 176.300 0.067 0.000 1.135 270 R CA 1.495 57.632 56.100 0.063 0.000 0.934 270 R CB -0.368 29.960 30.300 0.046 0.000 0.846 270 R HN 0.216 nan 8.270 nan 0.000 0.431 271 L N 0.277 121.561 121.223 0.101 0.000 2.043 271 L HA -0.208 4.132 4.340 0.000 0.000 0.212 271 L C 2.774 179.746 176.870 0.171 0.000 1.075 271 L CA 1.452 56.411 54.840 0.198 0.000 0.752 271 L CB -0.681 41.451 42.059 0.121 0.000 0.891 271 L HN 0.391 nan 8.230 nan 0.000 0.432 272 A N 0.252 123.119 122.820 0.078 0.000 1.908 272 A HA -0.251 4.069 4.320 0.000 0.000 0.218 272 A C 2.002 179.624 177.584 0.064 0.000 1.181 272 A CA 2.370 54.441 52.037 0.058 0.000 0.627 272 A CB -0.736 18.278 19.000 0.024 0.000 0.818 272 A HN 0.592 nan 8.150 nan 0.000 0.445 273 N N -0.654 118.078 118.700 0.053 0.000 2.305 273 N HA 0.044 4.784 4.740 0.000 0.000 0.179 273 N C 1.595 177.071 175.510 -0.056 0.000 1.019 273 N CA 0.506 53.568 53.050 0.020 0.000 0.869 273 N CB -0.114 38.394 38.487 0.035 0.000 1.000 273 N HN 0.260 nan 8.380 nan 0.000 0.431 274 L N 0.558 121.702 121.223 -0.131 0.000 2.187 274 L HA -0.145 4.195 4.340 0.000 0.000 0.213 274 L C 0.206 176.687 176.870 -0.650 0.000 1.100 274 L CA 2.019 56.609 54.840 -0.418 0.000 0.765 274 L CB -0.436 41.294 42.059 -0.548 0.000 0.904 274 L HN 0.327 nan 8.230 nan 0.000 0.437 275 Y N -1.666 118.630 120.300 -0.005 0.000 2.738 275 Y HA 0.191 4.741 4.550 0.000 0.000 0.249 275 Y C 0.428 176.319 175.900 -0.016 0.000 1.153 275 Y CA -1.088 57.004 58.100 -0.013 0.000 1.165 275 Y CB 0.000 38.447 38.460 -0.021 0.000 1.235 275 Y HN 0.124 nan 8.280 nan 0.000 0.559 276 D N 1.405 121.855 120.400 0.082 0.000 2.686 276 D HA -0.221 4.419 4.640 0.000 0.000 0.235 276 D C -0.567 175.764 176.300 0.051 0.000 1.160 276 D CA 0.708 54.737 54.000 0.049 0.000 0.645 276 D CB -0.868 39.950 40.800 0.031 0.000 1.039 276 D HN 0.426 nan 8.370 nan 0.000 0.423 277 I N -0.078 120.529 120.570 0.062 0.000 2.498 277 I HA 0.562 4.732 4.170 0.000 0.000 0.301 277 I C 0.814 176.937 176.117 0.009 0.000 0.984 277 I CA -1.008 60.311 61.300 0.031 0.000 1.204 277 I CB 1.744 39.764 38.000 0.035 0.000 1.362 277 I HN 0.196 nan 8.210 nan 0.000 0.471 278 A N 5.897 128.711 122.820 -0.010 0.000 2.274 278 A HA 0.611 4.931 4.320 0.000 0.000 0.309 278 A C -0.576 176.997 177.584 -0.020 0.000 1.226 278 A CA -0.400 51.630 52.037 -0.012 0.000 0.853 278 A CB 0.675 19.661 19.000 -0.023 0.000 1.146 278 A HN 0.444 nan 8.150 nan 0.000 0.518 279 V N 3.509 123.410 119.914 -0.020 0.000 2.370 279 V HA 0.379 4.499 4.120 0.000 0.000 0.283 279 V C -0.802 175.300 176.094 0.012 0.000 1.023 279 V CA -0.186 62.086 62.300 -0.047 0.000 0.857 279 V CB 0.798 32.551 31.823 -0.117 0.000 0.985 279 V HN 0.756 nan 8.190 nan 0.000 0.443 280 F N 6.761 126.596 119.950 -0.191 0.000 2.444 280 F HA 0.768 5.295 4.527 0.000 0.000 0.342 280 F C -0.220 175.450 175.800 -0.216 0.000 1.121 280 F CA -0.651 57.233 58.000 -0.193 0.000 0.997 280 F CB 1.737 40.604 39.000 -0.222 0.000 1.130 280 F HN 0.369 nan 8.300 nan 0.000 0.454 281 V N 2.205 121.758 119.914 -0.602 0.000 2.876 281 V HA 0.845 4.965 4.120 0.000 0.000 0.312 281 V C -0.568 175.190 176.094 -0.559 0.000 1.085 281 V CA -0.450 61.575 62.300 -0.457 0.000 0.945 281 V CB 1.236 32.892 31.823 -0.277 0.000 1.017 281 V HN 0.884 nan 8.190 nan 0.000 0.428 282 T N 0.334 114.688 114.554 -0.333 0.000 2.918 282 T HA 0.619 4.969 4.350 0.000 0.000 0.286 282 T C -0.527 174.132 174.700 -0.067 0.000 1.026 282 T CA -0.532 61.440 62.100 -0.213 0.000 1.031 282 T CB 1.584 70.383 68.868 -0.114 0.000 1.046 282 T HN 1.074 nan 8.240 nan 0.000 0.479 283 N N 1.200 119.913 118.700 0.022 0.000 2.549 283 N HA 0.155 4.895 4.740 0.000 0.000 0.290 283 N C -1.081 174.518 175.510 0.148 0.000 1.122 283 N CA -0.372 52.725 53.050 0.079 0.000 0.885 283 N CB 1.830 40.358 38.487 0.069 0.000 1.455 283 N HN 0.764 nan 8.380 nan 0.000 0.521 284 Q N 2.839 122.720 119.800 0.134 0.000 2.332 284 Q HA 0.332 4.672 4.340 0.000 0.000 0.263 284 Q C -1.397 174.702 176.000 0.165 0.000 0.979 284 Q CA -0.066 55.838 55.803 0.170 0.000 0.885 284 Q CB 1.221 30.068 28.738 0.182 0.000 1.218 284 Q HN 0.384 nan 8.270 nan 0.000 0.405 285 V N 4.292 124.323 119.914 0.196 0.000 2.686 285 V HA 0.260 4.380 4.120 0.000 0.000 0.306 285 V C -1.165 175.021 176.094 0.154 0.000 1.065 285 V CA -0.665 61.725 62.300 0.151 0.000 0.894 285 V CB 2.235 34.138 31.823 0.135 0.000 1.004 285 V HN 0.940 nan 8.190 nan 0.000 0.424 303 H N 1.071 120.144 119.070 0.004 0.000 3.167 303 H HA 0.395 4.951 4.556 0.000 0.000 0.306 303 H C 0.511 175.816 175.328 -0.039 0.000 0.965 303 H CA 0.067 56.102 56.048 -0.021 0.000 1.408 303 H CB 0.243 29.975 29.762 -0.051 0.000 1.406 303 H HN 0.271 nan 8.280 nan 0.000 0.576 304 I N 3.840 124.405 120.570 -0.009 0.000 3.204 304 I HA 0.495 4.665 4.170 0.000 0.000 0.313 304 I C 0.130 176.200 176.117 -0.079 0.000 1.082 304 I CA -1.567 59.689 61.300 -0.073 0.000 1.033 304 I CB 1.338 39.302 38.000 -0.061 0.000 1.304 304 I HN 0.723 nan 8.210 nan 0.000 0.536 305 L N -0.457 120.662 121.223 -0.173 0.000 2.653 305 L HA 0.757 5.097 4.340 0.000 0.000 0.257 305 L C -1.182 175.436 176.870 -0.420 0.000 0.969 305 L CA -0.997 53.704 54.840 -0.231 0.000 0.869 305 L CB 2.000 43.965 42.059 -0.157 0.000 1.439 305 L HN 0.599 nan 8.230 nan 0.000 0.414 306 A N 0.548 123.174 122.820 -0.323 0.000 2.774 306 A HA 0.502 4.822 4.320 0.000 0.000 0.326 306 A C 0.501 177.927 177.584 -0.263 0.000 1.478 306 A CA -0.326 51.498 52.037 -0.356 0.000 1.099 306 A CB -0.874 18.008 19.000 -0.195 0.000 1.148 306 A HN 0.992 nan 8.150 nan 0.000 0.519 307 H N 0.490 119.540 119.070 -0.033 0.000 2.321 307 H HA -0.112 4.444 4.556 0.000 0.000 0.300 307 H C 1.809 177.149 175.328 0.020 0.000 1.087 307 H CA 1.855 57.895 56.048 -0.014 0.000 1.319 307 H CB -0.567 29.178 29.762 -0.029 0.000 1.379 307 H HN 0.466 nan 8.280 nan 0.000 0.501 308 S N 0.557 116.428 115.700 0.285 0.000 2.500 308 S HA 0.080 4.550 4.470 0.000 0.000 0.239 308 S C 1.316 176.107 174.600 0.318 0.000 0.989 308 S CA 0.336 58.706 58.200 0.282 0.000 0.951 308 S CB -0.619 62.812 63.200 0.385 0.000 0.759 308 S HN 0.744 nan 8.310 nan 0.000 0.523 309 A N 1.512 124.414 122.820 0.137 0.000 2.587 309 A HA 0.122 4.442 4.320 0.000 0.000 0.235 309 A C 1.421 179.078 177.584 0.122 0.000 1.044 309 A CA 0.389 52.467 52.037 0.068 0.000 0.754 309 A CB -0.011 18.996 19.000 0.010 0.000 0.968 309 A HN 0.327 nan 8.150 nan 0.000 0.509 310 T N 1.068 115.696 114.554 0.124 0.000 2.942 310 T HA 0.166 4.516 4.350 0.000 0.000 0.265 310 T C 0.275 175.035 174.700 0.102 0.000 1.062 310 T CA 1.544 63.721 62.100 0.128 0.000 1.139 310 T CB -0.290 68.658 68.868 0.133 0.000 0.883 310 T HN 0.666 nan 8.240 nan 0.000 0.468 311 L N 0.862 122.137 121.223 0.085 0.000 2.565 311 L HA 0.464 4.804 4.340 0.000 0.000 0.261 311 L C -1.778 175.140 176.870 0.080 0.000 0.932 311 L CA -0.731 54.163 54.840 0.090 0.000 0.878 311 L CB 1.841 43.955 42.059 0.092 0.000 1.333 311 L HN -0.173 nan 8.230 nan 0.000 0.409 312 R N 4.435 125.000 120.500 0.108 0.000 2.393 312 R HA 0.768 5.108 4.340 0.000 0.000 0.315 312 R C -1.366 174.997 176.300 0.106 0.000 0.952 312 R CA -0.890 55.303 56.100 0.155 0.000 0.842 312 R CB 2.069 32.530 30.300 0.268 0.000 1.163 312 R HN 0.422 nan 8.270 nan 0.000 0.450 313 V N 4.009 123.919 119.914 -0.007 0.000 2.417 313 V HA 0.235 4.355 4.120 0.000 0.000 0.291 313 V C -0.893 174.958 176.094 -0.406 0.000 1.024 313 V CA -0.918 61.321 62.300 -0.103 0.000 0.861 313 V CB 1.250 33.048 31.823 -0.041 0.000 0.985 313 V HN 0.584 nan 8.190 nan 0.000 0.436 314 Y N 7.261 127.200 120.300 -0.601 0.000 2.342 314 Y HA 0.795 5.345 4.550 0.000 0.000 0.334 314 Y C -0.844 174.834 175.900 -0.371 0.000 1.067 314 Y CA -1.637 55.912 58.100 -0.918 0.000 1.128 314 Y CB 1.512 39.550 38.460 -0.702 0.000 1.200 314 Y HN 0.574 nan 8.280 nan 0.000 0.464 315 L N 5.466 126.217 121.223 -0.787 0.000 2.422 315 L HA 0.777 5.117 4.340 0.000 0.000 0.264 315 L C -1.126 175.370 176.870 -0.623 0.000 0.984 315 L CA -1.277 53.181 54.840 -0.637 0.000 0.819 315 L CB 2.079 44.025 42.059 -0.188 0.000 1.330 315 L HN 0.725 nan 8.230 nan 0.000 0.410 316 R N 0.612 120.797 120.500 -0.524 0.000 2.888 316 R HA 0.630 4.970 4.340 0.000 0.000 0.264 316 R C -1.111 175.071 176.300 -0.197 0.000 1.045 316 R CA -0.924 55.007 56.100 -0.283 0.000 0.962 316 R CB 1.801 31.963 30.300 -0.230 0.000 1.210 316 R HN 0.762 nan 8.270 nan 0.000 0.479 317 K N 0.004 120.343 120.400 -0.102 0.000 2.258 317 K HA 0.367 4.687 4.320 0.000 0.000 0.264 317 K C -0.326 176.213 176.600 -0.101 0.000 1.007 317 K CA 0.161 56.392 56.287 -0.095 0.000 0.941 317 K CB 0.936 33.418 32.500 -0.029 0.000 0.966 317 K HN 0.757 nan 8.250 nan 0.000 0.480 318 G N 1.498 110.230 108.800 -0.113 0.000 3.086 318 G HA2 0.178 4.138 3.960 0.000 0.000 0.282 318 G HA3 0.178 4.138 3.960 0.000 0.000 0.282 318 G C -0.346 174.513 174.900 -0.068 0.000 1.343 318 G CA -0.605 44.437 45.100 -0.097 0.000 0.895 318 G HN 0.578 nan 8.290 nan 0.000 0.557 319 K N -0.463 119.901 120.400 -0.059 0.000 2.032 319 K HA -0.152 4.168 4.320 0.000 0.000 0.225 319 K C 1.180 177.759 176.600 -0.034 0.000 0.881 319 K CA 2.357 58.620 56.287 -0.041 0.000 1.002 319 K CB -0.852 31.623 32.500 -0.041 0.000 0.748 319 K HN 0.922 nan 8.250 nan 0.000 0.569 320 G N -3.524 105.253 108.800 -0.040 0.000 2.782 320 G HA2 0.478 4.438 3.960 0.000 0.000 0.280 320 G HA3 0.478 4.438 3.960 0.000 0.000 0.280 320 G C 0.484 175.363 174.900 -0.035 0.000 1.526 320 G CA 0.157 45.240 45.100 -0.029 0.000 1.083 320 G HN 0.696 nan 8.290 nan 0.000 0.552 321 G N 1.377 110.158 108.800 -0.032 0.000 2.270 321 G HA2 -0.319 3.641 3.960 0.000 0.000 0.268 321 G HA3 -0.319 3.641 3.960 0.000 0.000 0.268 321 G C 0.727 175.590 174.900 -0.063 0.000 0.982 321 G CA 1.105 46.187 45.100 -0.031 0.000 0.628 321 G HN 0.776 nan 8.290 nan 0.000 0.544 322 K N -0.047 120.294 120.400 -0.098 0.000 2.102 322 K HA 0.654 4.974 4.320 0.000 0.000 0.244 322 K C 0.549 176.977 176.600 -0.286 0.000 1.021 322 K CA -0.412 55.765 56.287 -0.184 0.000 0.913 322 K CB 0.441 32.841 32.500 -0.167 0.000 1.062 322 K HN 0.122 nan 8.250 nan 0.000 0.485 323 R N 0.845 121.011 120.500 -0.557 0.000 2.771 323 R HA 0.467 4.807 4.340 0.000 0.000 0.274 323 R C -1.068 174.744 176.300 -0.813 0.000 0.987 323 R CA -0.898 54.790 56.100 -0.687 0.000 0.908 323 R CB 1.483 31.265 30.300 -0.865 0.000 1.213 323 R HN 0.504 nan 8.270 nan 0.000 0.468 324 I N 1.046 121.314 120.570 -0.503 0.000 2.533 324 I HA 0.595 4.765 4.170 0.000 0.000 0.290 324 I C -1.168 174.813 176.117 -0.226 0.000 1.056 324 I CA -0.640 60.467 61.300 -0.321 0.000 1.057 324 I CB 1.766 39.637 38.000 -0.215 0.000 1.240 324 I HN 0.732 nan 8.210 nan 0.000 0.423 325 A N 7.685 130.470 122.820 -0.058 0.000 2.355 325 A HA 0.918 5.238 4.320 0.000 0.000 0.324 325 A C -0.646 176.916 177.584 -0.037 0.000 1.117 325 A CA -0.703 51.309 52.037 -0.042 0.000 0.785 325 A CB 1.445 20.520 19.000 0.124 0.000 1.254 325 A HN 0.785 nan 8.150 nan 0.000 0.453 326 R N 1.412 121.882 120.500 -0.050 0.000 2.707 326 R HA 0.641 4.981 4.340 0.000 0.000 0.272 326 R C -1.514 174.815 176.300 0.049 0.000 1.011 326 R CA -0.654 55.461 56.100 0.024 0.000 0.893 326 R CB 0.976 31.319 30.300 0.071 0.000 1.233 326 R HN 0.581 nan 8.270 nan 0.000 0.464 327 L N 2.070 123.331 121.223 0.062 0.000 2.490 327 L HA 0.365 4.705 4.340 0.000 0.000 0.245 327 L C 0.398 177.331 176.870 0.106 0.000 1.185 327 L CA -0.101 54.782 54.840 0.072 0.000 0.813 327 L CB 0.721 42.819 42.059 0.064 0.000 1.233 327 L HN 0.626 nan 8.230 nan 0.000 0.489 328 I N 0.518 121.156 120.570 0.114 0.000 3.241 328 I HA 0.344 4.514 4.170 0.000 0.000 0.333 328 I C -0.848 175.327 176.117 0.098 0.000 1.534 328 I CA 0.095 61.472 61.300 0.128 0.000 0.979 328 I CB -0.460 37.655 38.000 0.192 0.000 1.497 328 I HN 0.415 nan 8.210 nan 0.000 0.530 329 D N 0.207 120.658 120.400 0.085 0.000 2.836 329 D HA 0.403 5.043 4.640 0.000 0.000 0.215 329 D C 0.398 176.740 176.300 0.070 0.000 1.255 329 D CA -0.091 53.954 54.000 0.075 0.000 0.822 329 D CB 3.027 43.879 40.800 0.086 0.000 1.656 329 D HN 0.063 nan 8.370 nan 0.000 0.511 330 A N 2.817 125.673 122.820 0.060 0.000 1.887 330 A HA 0.211 4.531 4.320 0.000 0.000 0.212 330 A C -1.562 176.060 177.584 0.063 0.000 1.198 330 A CA 0.723 52.792 52.037 0.053 0.000 0.628 330 A CB -0.806 18.219 19.000 0.042 0.000 0.847 330 A HN 0.421 nan 8.150 nan 0.000 0.449 331 P HA 0.125 nan 4.420 nan 0.000 0.274 331 P C -0.586 176.814 177.300 0.168 0.000 1.237 331 P CA 0.365 63.519 63.100 0.091 0.000 0.793 331 P CB 0.135 31.873 31.700 0.063 0.000 0.977 332 H N 0.025 119.107 119.070 0.019 0.000 3.643 332 H HA -0.177 4.379 4.556 0.000 0.000 0.298 332 H C -0.421 174.919 175.328 0.019 0.000 0.802 332 H CA -0.052 56.008 56.048 0.019 0.000 0.890 332 H CB -0.601 29.175 29.762 0.022 0.000 1.436 332 H HN 0.362 nan 8.280 nan 0.000 0.324 333 L N 0.991 122.189 121.223 -0.042 0.000 0.584 333 L HA -0.193 4.147 4.340 0.000 0.000 0.356 333 L C -1.758 175.117 176.870 0.008 0.000 1.004 333 L CA 0.706 55.524 54.840 -0.037 0.000 1.223 333 L CB -0.958 41.083 42.059 -0.030 0.000 0.012 333 L HN 0.510 nan 8.230 nan 0.000 0.091 334 P HA 0.074 nan 4.420 nan 0.000 0.278 334 P C -0.555 176.761 177.300 0.025 0.000 1.270 334 P CA 0.043 63.150 63.100 0.013 0.000 0.800 334 P CB 0.453 32.157 31.700 0.007 0.000 1.142 335 E N -0.905 119.310 120.200 0.026 0.000 3.898 335 E HA 0.485 4.835 4.350 0.000 0.000 0.219 335 E C -0.320 176.298 176.600 0.029 0.000 1.207 335 E CA -0.485 55.934 56.400 0.032 0.000 1.240 335 E CB -0.338 29.382 29.700 0.033 0.000 1.239 335 E HN 0.630 nan 8.360 nan 0.000 0.422 336 G N 0.545 109.361 108.800 0.027 0.000 3.086 336 G HA2 0.493 4.453 3.960 0.000 0.000 0.282 336 G HA3 0.493 4.453 3.960 0.000 0.000 0.282 336 G C -0.854 174.062 174.900 0.025 0.000 1.343 336 G CA -0.632 44.482 45.100 0.024 0.000 0.895 336 G HN 0.230 nan 8.290 nan 0.000 0.557 337 E N -1.152 119.059 120.200 0.019 0.000 2.281 337 E HA 0.630 4.980 4.350 0.000 0.000 0.262 337 E C -0.822 175.788 176.600 0.017 0.000 0.933 337 E CA -0.961 55.447 56.400 0.014 0.000 0.809 337 E CB 2.428 32.129 29.700 0.002 0.000 1.242 337 E HN 0.633 nan 8.360 nan 0.000 0.418 338 A N 1.357 124.193 122.820 0.026 0.000 2.398 338 A HA 0.554 4.874 4.320 0.000 0.000 0.301 338 A C -0.960 176.665 177.584 0.069 0.000 1.041 338 A CA -0.580 51.493 52.037 0.061 0.000 0.711 338 A CB 1.146 20.203 19.000 0.094 0.000 1.240 338 A HN 0.295 nan 8.150 nan 0.000 0.420 339 V N 2.568 122.511 119.914 0.048 0.000 2.630 339 V HA 0.852 4.973 4.120 0.000 0.000 0.305 339 V C -0.273 175.876 176.094 0.093 0.000 1.046 339 V CA -0.198 62.079 62.300 -0.039 0.000 0.934 339 V CB 1.049 32.835 31.823 -0.063 0.000 1.003 339 V HN 1.096 nan 8.190 nan 0.000 0.451 340 F N 0.537 120.467 119.950 -0.032 0.000 3.052 340 F HA 0.878 5.405 4.527 0.000 0.000 0.323 340 F C -0.507 175.279 175.800 -0.023 0.000 1.178 340 F CA -0.786 57.198 58.000 -0.026 0.000 0.892 340 F CB 1.327 40.311 39.000 -0.027 0.000 1.416 340 F HN 0.511 nan 8.300 nan 0.000 0.488 341 S N 0.610 116.512 115.700 0.336 0.000 2.651 341 S HA 0.815 5.285 4.470 0.000 0.000 0.279 341 S C -1.531 173.218 174.600 0.248 0.000 1.148 341 S CA -0.913 57.388 58.200 0.169 0.000 0.837 341 S CB 1.965 65.204 63.200 0.065 0.000 1.138 341 S HN 0.763 nan 8.310 nan 0.000 0.478 342 I N 2.566 123.220 120.570 0.140 0.000 2.339 342 I HA 0.564 4.734 4.170 0.000 0.000 0.290 342 I C 0.411 176.566 176.117 0.063 0.000 0.994 342 I CA -0.191 61.179 61.300 0.116 0.000 1.191 342 I CB 0.557 38.613 38.000 0.095 0.000 1.343 342 I HN 1.103 nan 8.210 nan 0.000 0.458 343 T N 2.375 116.959 114.554 0.049 0.000 2.612 343 T HA 0.452 4.802 4.350 0.000 0.000 0.296 343 T C -0.386 174.323 174.700 0.014 0.000 1.148 343 T CA -0.881 61.235 62.100 0.026 0.000 1.077 343 T CB 1.148 70.031 68.868 0.026 0.000 1.591 343 T HN 0.315 nan 8.240 nan 0.000 0.479 344 E N 0.887 121.091 120.200 0.006 0.000 2.392 344 E HA 0.483 4.833 4.350 0.000 0.000 0.256 344 E C 0.068 176.670 176.600 0.004 0.000 1.145 344 E CA -0.359 56.040 56.400 -0.002 0.000 0.929 344 E CB 0.198 29.895 29.700 -0.005 0.000 0.998 344 E HN 0.791 nan 8.360 nan 0.000 0.442 345 K N -0.209 120.192 120.400 0.002 0.000 3.553 345 K HA -0.259 4.061 4.320 0.000 0.000 0.303 345 K C 0.995 177.599 176.600 0.006 0.000 1.327 345 K CA 0.436 56.724 56.287 0.003 0.000 0.983 345 K CB -1.967 30.533 32.500 0.001 0.000 1.275 345 K HN 0.869 nan 8.250 nan 0.000 0.453 346 G N 0.863 109.671 108.800 0.013 0.000 3.377 346 G HA2 -0.355 3.605 3.960 0.000 0.000 0.304 346 G HA3 -0.355 3.605 3.960 0.000 0.000 0.304 346 G C 0.111 175.027 174.900 0.027 0.000 1.366 346 G CA 0.408 45.523 45.100 0.025 0.000 1.020 346 G HN 0.215 nan 8.290 nan 0.000 0.621 347 I N 1.924 122.486 120.570 -0.013 0.000 2.359 347 I HA 0.638 4.808 4.170 0.000 0.000 0.294 347 I C 0.473 176.575 176.117 -0.026 0.000 0.987 347 I CA -0.432 60.846 61.300 -0.038 0.000 1.225 347 I CB 1.703 39.555 38.000 -0.246 0.000 1.366 347 I HN 0.637 nan 8.210 nan 0.000 0.466 348 E N 3.824 124.053 120.200 0.047 0.000 2.639 348 E HA 0.319 4.669 4.350 0.000 0.000 0.219 348 E C -0.795 175.850 176.600 0.075 0.000 0.800 348 E CA -0.285 56.141 56.400 0.043 0.000 1.002 348 E CB 0.704 30.437 29.700 0.055 0.000 1.621 348 E HN 0.556 nan 8.360 nan 0.000 0.396 349 D N 0.000 120.442 120.400 0.070 0.000 6.856 349 D HA 0.000 4.640 4.640 0.000 0.000 0.175 349 D CA 0.000 54.048 54.000 0.080 0.000 0.868 349 D CB 0.000 40.872 40.800 0.120 0.000 0.688 349 D HN 0.000 nan 8.370 nan 0.000 0.683