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 1gc0_1_C DATA FIRST_RESID 7 DATA SEQUENCE LPGFATRAIH HGYDPQDHGG ALVPPVYQTA TFTFPTXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXSNPT LNLLEARMAS LEGGEAGLAL ASGMGAITST LWTLLRPGDE DATA SEQUENCE VLLGNTLYGC TFAFLHHGIG EFGVKLRHVD MADLQALEAA MTPATRVIYF DATA SEQUENCE ESPANPNMHM ADIAGVAKIA RKHGATVVVD NTYCTPYLQR PLELGADLVV DATA SEQUENCE HSATXYLSGH GDITAGIVVG SQALVDRIRL QGLKDMTGAV LSPHDAALLM DATA SEQUENCE RGIKTLNLRM DRHCANAQVL AEFLARQPQV ELIHYPGLAS XXXXXXXXXQ DATA SEQUENCE MSQPGGMIAF ELKGGIGAGR RFMNALQLFS RAVSLGDAES LAQHPASMTH DATA SEQUENCE SSYTPEERAH YGISEGLVRL SVGLEDIDDL LADVQQALKA SA 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 7 L HA 0.000 nan 4.340 nan 0.000 0.249 7 L C 0.000 176.895 176.870 0.042 0.000 1.165 7 L CA 0.000 54.861 54.840 0.034 0.000 0.813 7 L CB 0.000 42.078 42.059 0.031 0.000 0.961 8 P HA 0.301 nan 4.420 nan 0.000 0.269 8 P C 0.118 177.460 177.300 0.070 0.000 1.217 8 P CA -0.114 63.019 63.100 0.055 0.000 0.783 8 P CB 0.547 32.284 31.700 0.061 0.000 0.898 9 G N -0.102 108.751 108.800 0.088 0.000 2.636 9 G HA2 0.040 4.114 3.960 0.191 0.000 0.246 9 G HA3 0.040 4.114 3.960 0.191 0.000 0.246 9 G C 0.463 175.461 174.900 0.163 0.000 1.216 9 G CA -0.553 44.626 45.100 0.131 0.000 0.854 9 G HN 0.514 nan 8.290 nan 0.000 0.572 10 F N 1.744 121.740 119.950 0.076 0.000 2.065 10 F HA -0.202 4.440 4.527 0.191 0.000 0.298 10 F C 2.741 178.586 175.800 0.076 0.000 1.112 10 F CA 2.637 60.689 58.000 0.087 0.000 1.212 10 F CB -0.106 38.984 39.000 0.150 0.000 0.975 10 F HN 0.409 nan 8.300 nan 0.000 0.476 11 A N -0.740 122.283 122.820 0.339 0.000 1.940 11 A HA -0.195 4.239 4.320 0.191 0.000 0.219 11 A C 2.146 179.785 177.584 0.093 0.000 1.176 11 A CA 2.305 54.459 52.037 0.195 0.000 0.631 11 A CB -1.413 17.688 19.000 0.168 0.000 0.814 11 A HN 0.473 nan 8.150 nan 0.000 0.446 12 T N -0.344 114.279 114.554 0.116 0.000 2.708 12 T HA -0.131 4.333 4.350 0.191 0.000 0.266 12 T C 2.052 176.836 174.700 0.140 0.000 1.037 12 T CA 1.557 63.752 62.100 0.159 0.000 1.146 12 T CB -0.227 68.722 68.868 0.135 0.000 0.865 12 T HN 0.531 nan 8.240 nan 0.000 0.435 13 R N 1.000 121.522 120.500 0.037 0.000 2.115 13 R HA 0.119 4.574 4.340 0.191 0.000 0.230 13 R C 2.714 178.972 176.300 -0.069 0.000 1.111 13 R CA 1.083 57.187 56.100 0.006 0.000 0.976 13 R CB -0.368 29.863 30.300 -0.115 0.000 0.870 13 R HN 0.337 nan 8.270 nan 0.000 0.445 14 A N 0.512 123.213 122.820 -0.198 0.000 2.121 14 A HA -0.058 4.376 4.320 0.191 0.000 0.218 14 A C 1.900 179.416 177.584 -0.113 0.000 1.154 14 A CA 1.044 52.958 52.037 -0.206 0.000 0.679 14 A CB -0.183 18.676 19.000 -0.236 0.000 0.795 14 A HN 0.201 nan 8.150 nan 0.000 0.458 15 I N -2.709 117.802 120.570 -0.098 0.000 3.339 15 I HA 0.050 4.335 4.170 0.191 0.000 0.285 15 I C 1.945 177.876 176.117 -0.310 0.000 1.201 15 I CA 0.446 61.615 61.300 -0.218 0.000 1.434 15 I CB 0.046 37.877 38.000 -0.281 0.000 1.152 15 I HN 0.326 nan 8.210 nan 0.000 0.443 16 H N -1.797 117.295 119.070 0.037 0.000 2.927 16 H HA 0.162 4.834 4.556 0.193 0.000 0.255 16 H C 0.265 175.640 175.328 0.079 0.000 0.974 16 H CA -0.167 55.923 56.048 0.070 0.000 1.199 16 H CB 0.039 29.837 29.762 0.060 0.000 1.447 16 H HN 0.187 nan 8.280 nan 0.000 0.467 17 H N 0.877 120.014 119.070 0.111 0.000 3.167 17 H HA 0.098 4.768 4.556 0.190 0.000 0.306 17 H C 1.357 176.730 175.328 0.074 0.000 0.965 17 H CA 1.759 57.845 56.048 0.063 0.000 1.408 17 H CB 0.050 29.810 29.762 -0.003 0.000 1.406 17 H HN 0.693 nan 8.280 nan 0.000 0.576 18 G N 3.165 111.612 108.800 -0.588 0.000 2.179 18 G HA2 -0.307 3.768 3.960 0.191 0.000 0.260 18 G HA3 -0.307 3.768 3.960 0.191 0.000 0.260 18 G C -0.155 174.742 174.900 -0.006 0.000 0.977 18 G CA 0.414 45.330 45.100 -0.307 0.000 0.641 18 G HN 0.765 nan 8.290 nan 0.000 0.533 19 Y N 0.885 121.139 120.300 -0.076 0.000 2.376 19 Y HA 0.578 5.247 4.550 0.199 0.000 0.340 19 Y C -0.972 174.952 175.900 0.040 0.000 0.965 19 Y CA -0.903 57.200 58.100 0.005 0.000 1.078 19 Y CB 2.042 40.508 38.460 0.009 0.000 1.193 19 Y HN 0.106 nan 8.280 nan 0.000 0.452 20 D N 7.512 127.529 120.400 -0.640 0.000 2.542 20 D HA 0.387 5.141 4.640 0.191 0.000 0.252 20 D C -2.275 173.578 176.300 -0.745 0.000 1.222 20 D CA -2.357 51.346 54.000 -0.496 0.000 0.895 20 D CB 2.409 43.060 40.800 -0.248 0.000 1.207 20 D HN 0.233 nan 8.370 nan 0.000 0.558 21 P HA -0.205 nan 4.420 nan 0.000 0.217 21 P C 1.105 178.332 177.300 -0.121 0.000 1.148 21 P CA 1.004 63.938 63.100 -0.275 0.000 0.834 21 P CB 0.249 31.940 31.700 -0.015 0.000 0.783 22 Q N -0.652 119.066 119.800 -0.136 0.000 2.291 22 Q HA -0.124 4.331 4.340 0.191 0.000 0.206 22 Q C 1.155 177.083 176.000 -0.119 0.000 0.976 22 Q CA 1.173 56.921 55.803 -0.092 0.000 0.875 22 Q CB -0.803 27.885 28.738 -0.084 0.000 0.927 22 Q HN 0.451 nan 8.270 nan 0.000 0.450 23 D N -0.627 119.657 120.400 -0.193 0.000 2.349 23 D HA -0.035 4.720 4.640 0.191 0.000 0.215 23 D C 0.218 176.201 176.300 -0.529 0.000 1.016 23 D CA 0.470 54.277 54.000 -0.322 0.000 0.870 23 D CB 0.284 40.869 40.800 -0.358 0.000 0.917 23 D HN 0.346 nan 8.370 nan 0.000 0.524 24 H N -0.523 118.560 119.070 0.021 0.000 2.716 24 H HA 0.292 4.965 4.556 0.195 0.000 0.230 24 H C 1.055 176.442 175.328 0.098 0.000 1.401 24 H CA -0.052 56.072 56.048 0.127 0.000 1.168 24 H CB 0.714 30.646 29.762 0.282 0.000 1.935 24 H HN 0.067 nan 8.280 nan 0.000 0.538 25 G N 0.692 109.552 108.800 0.100 0.000 2.180 25 G HA2 -0.335 3.739 3.960 0.191 0.000 0.263 25 G HA3 -0.335 3.739 3.960 0.191 0.000 0.263 25 G C 1.291 176.234 174.900 0.071 0.000 0.989 25 G CA 0.759 45.904 45.100 0.075 0.000 0.692 25 G HN 1.066 nan 8.290 nan 0.000 0.526 26 G N -1.613 107.231 108.800 0.074 0.000 2.159 26 G HA2 0.168 4.243 3.960 0.191 0.000 0.256 26 G HA3 0.168 4.243 3.960 0.191 0.000 0.256 26 G C 0.820 175.783 174.900 0.106 0.000 0.977 26 G CA 1.129 46.267 45.100 0.064 0.000 0.652 26 G HN 2.323 nan 8.290 nan 0.000 0.531 27 A N -0.139 122.778 122.820 0.161 0.000 2.524 27 A HA 0.612 5.046 4.320 0.191 0.000 0.250 27 A C 1.500 179.223 177.584 0.231 0.000 1.078 27 A CA 0.594 52.732 52.037 0.168 0.000 0.761 27 A CB 0.265 19.368 19.000 0.172 0.000 1.012 27 A HN 0.750 nan 8.150 nan 0.000 0.500 28 L N 3.399 124.711 121.223 0.148 0.000 2.056 28 L HA -0.043 4.412 4.340 0.191 0.000 0.207 28 L C 0.963 177.908 176.870 0.125 0.000 1.078 28 L CA 1.488 56.423 54.840 0.159 0.000 0.749 28 L CB -0.517 41.592 42.059 0.084 0.000 0.901 28 L HN 0.496 nan 8.230 nan 0.000 0.433 29 V N 0.303 120.224 119.914 0.012 0.000 2.427 29 V HA 0.292 4.526 4.120 0.191 0.000 0.286 29 V C -2.116 173.847 176.094 -0.218 0.000 1.034 29 V CA -1.790 60.426 62.300 -0.139 0.000 0.893 29 V CB 1.110 32.866 31.823 -0.112 0.000 0.982 29 V HN 0.058 nan 8.190 nan 0.000 0.452 30 P HA 0.182 nan 4.420 nan 0.000 0.264 30 P C -2.534 174.636 177.300 -0.216 0.000 1.193 30 P CA -0.698 62.068 63.100 -0.556 0.000 0.763 30 P CB -0.183 31.010 31.700 -0.845 0.000 0.810 31 P HA 0.021 nan 4.420 nan 0.000 0.269 31 P C -0.715 176.537 177.300 -0.080 0.000 1.209 31 P CA 0.058 63.102 63.100 -0.093 0.000 0.776 31 P CB 0.380 32.015 31.700 -0.108 0.000 0.876 32 V N 3.983 123.837 119.914 -0.099 0.000 2.385 32 V HA 0.064 4.298 4.120 0.191 0.000 0.269 32 V C -0.140 175.924 176.094 -0.050 0.000 1.043 32 V CA -0.171 62.115 62.300 -0.024 0.000 0.906 32 V CB -0.526 31.282 31.823 -0.026 0.000 0.995 32 V HN 0.423 nan 8.190 nan 0.000 0.467 33 Y N 3.344 123.657 120.300 0.023 0.000 2.623 33 Y HA 0.247 4.912 4.550 0.192 0.000 0.341 33 Y C 1.059 176.977 175.900 0.030 0.000 1.292 33 Y CA -0.184 57.950 58.100 0.056 0.000 1.840 33 Y CB 0.006 38.571 38.460 0.175 0.000 1.865 33 Y HN 0.620 nan 8.280 nan 0.000 0.440 34 Q N 2.076 121.907 119.800 0.052 0.000 2.844 34 Q HA 0.164 4.618 4.340 0.191 0.000 0.235 34 Q C -0.455 175.535 176.000 -0.016 0.000 1.336 34 Q CA 0.015 55.840 55.803 0.037 0.000 1.026 34 Q CB 0.109 28.860 28.738 0.022 0.000 1.513 34 Q HN 0.418 nan 8.270 nan 0.000 0.577 35 T N 0.010 114.548 114.554 -0.025 0.000 2.952 35 T HA 0.669 5.133 4.350 0.191 0.000 0.305 35 T C 0.323 174.970 174.700 -0.089 0.000 1.064 35 T CA 0.050 62.073 62.100 -0.128 0.000 1.008 35 T CB 1.254 69.927 68.868 -0.325 0.000 1.078 35 T HN 0.361 nan 8.240 nan 0.000 0.459 36 A N 3.333 126.114 122.820 -0.066 0.000 2.016 36 A HA 0.365 4.799 4.320 0.191 0.000 0.217 36 A C 0.972 178.567 177.584 0.019 0.000 1.162 36 A CA 0.905 52.940 52.037 -0.002 0.000 0.662 36 A CB -0.195 18.806 19.000 0.002 0.000 0.812 36 A HN 0.800 nan 8.150 nan 0.000 0.450 37 T N -1.884 112.628 114.554 -0.070 0.000 2.883 37 T HA 0.665 5.129 4.350 0.191 0.000 0.296 37 T C -1.096 173.489 174.700 -0.191 0.000 1.117 37 T CA -0.419 61.685 62.100 0.007 0.000 1.006 37 T CB 1.426 70.322 68.868 0.047 0.000 1.191 37 T HN 0.050 nan 8.240 nan 0.000 0.508 38 F N 0.917 120.893 119.950 0.043 0.000 2.611 38 F HA 0.557 5.199 4.527 0.190 0.000 0.324 38 F C 1.082 176.913 175.800 0.052 0.000 1.061 38 F CA -0.993 57.034 58.000 0.044 0.000 0.954 38 F CB 1.320 40.329 39.000 0.016 0.000 1.301 38 F HN 0.678 nan 8.300 nan 0.000 0.482 39 T N -1.011 113.687 114.554 0.240 0.000 2.932 39 T HA 0.138 4.602 4.350 0.191 0.000 0.312 39 T C -0.343 174.479 174.700 0.203 0.000 1.071 39 T CA -0.322 61.891 62.100 0.189 0.000 1.128 39 T CB 0.153 69.111 68.868 0.151 0.000 0.984 39 T HN 0.344 nan 8.240 nan 0.000 0.549 40 F N 5.248 125.244 119.950 0.077 0.000 2.538 40 F HA 0.307 4.949 4.527 0.191 0.000 0.371 40 F C -1.160 174.666 175.800 0.043 0.000 1.087 40 F CA -1.934 56.100 58.000 0.057 0.000 1.250 40 F CB 0.191 39.215 39.000 0.039 0.000 1.110 40 F HN 0.546 nan 8.300 nan 0.000 0.570 41 P HA 0.027 nan 4.420 nan 0.000 0.267 41 P C -0.117 177.254 177.300 0.118 0.000 1.201 41 P CA 0.224 63.286 63.100 -0.062 0.000 0.775 41 P CB 0.112 31.683 31.700 -0.216 0.000 0.854 64 N N 2.183 120.658 118.700 -0.376 0.000 2.408 64 N HA 0.368 5.222 4.740 0.191 0.000 0.257 64 N C -1.885 173.487 175.510 -0.232 0.000 1.064 64 N CA -2.011 50.919 53.050 -0.200 0.000 0.952 64 N CB 0.993 39.547 38.487 0.112 0.000 1.093 64 N HN 0.152 nan 8.380 nan 0.000 0.490 65 P HA -0.139 nan 4.420 nan 0.000 0.217 65 P C 0.747 177.941 177.300 -0.177 0.000 1.148 65 P CA 1.270 64.152 63.100 -0.363 0.000 0.828 65 P CB 0.268 31.547 31.700 -0.703 0.000 0.783 66 T N -0.698 113.808 114.554 -0.078 0.000 2.737 66 T HA -0.076 4.389 4.350 0.191 0.000 0.265 66 T C 1.588 176.277 174.700 -0.018 0.000 1.038 66 T CA 1.049 63.154 62.100 0.008 0.000 1.144 66 T CB -0.741 68.191 68.868 0.107 0.000 0.866 66 T HN -0.044 nan 8.240 nan 0.000 0.434 67 L N 1.810 123.028 121.223 -0.009 0.000 2.056 67 L HA 0.017 4.472 4.340 0.191 0.000 0.207 67 L C 2.295 179.147 176.870 -0.031 0.000 1.078 67 L CA 1.340 56.173 54.840 -0.013 0.000 0.749 67 L CB -0.914 41.144 42.059 -0.002 0.000 0.901 67 L HN 0.174 nan 8.230 nan 0.000 0.433 68 N N -0.456 118.211 118.700 -0.055 0.000 2.104 68 N HA -0.190 4.665 4.740 0.191 0.000 0.190 68 N C 1.840 177.335 175.510 -0.025 0.000 1.024 68 N CA 1.141 54.160 53.050 -0.052 0.000 0.853 68 N CB -0.460 37.977 38.487 -0.083 0.000 1.008 68 N HN 0.187 nan 8.380 nan 0.000 0.424 69 L N 0.910 122.117 121.223 -0.026 0.000 2.046 69 L HA -0.032 4.422 4.340 0.191 0.000 0.208 69 L C 2.061 178.929 176.870 -0.003 0.000 1.077 69 L CA 1.169 56.006 54.840 -0.005 0.000 0.747 69 L CB -0.873 41.172 42.059 -0.024 0.000 0.896 69 L HN 0.113 nan 8.230 nan 0.000 0.432 70 L N -0.311 120.899 121.223 -0.022 0.000 2.046 70 L HA -0.208 4.247 4.340 0.191 0.000 0.208 70 L C 2.312 179.177 176.870 -0.009 0.000 1.077 70 L CA 1.885 56.711 54.840 -0.023 0.000 0.747 70 L CB -0.775 41.267 42.059 -0.029 0.000 0.896 70 L HN 0.412 nan 8.230 nan 0.000 0.432 71 E N -0.252 119.945 120.200 -0.004 0.000 2.077 71 E HA -0.190 4.274 4.350 0.191 0.000 0.193 71 E C 2.192 178.804 176.600 0.021 0.000 0.989 71 E CA 1.189 57.591 56.400 0.004 0.000 0.800 71 E CB -0.364 29.335 29.700 -0.002 0.000 0.746 71 E HN 0.677 nan 8.360 nan 0.000 0.452 72 A N 1.318 124.164 122.820 0.043 0.000 1.930 72 A HA -0.184 4.250 4.320 0.191 0.000 0.217 72 A C 2.094 179.771 177.584 0.154 0.000 1.175 72 A CA 1.472 53.570 52.037 0.102 0.000 0.627 72 A CB -0.382 18.688 19.000 0.117 0.000 0.815 72 A HN 0.063 nan 8.150 nan 0.000 0.443 73 R N -1.383 119.195 120.500 0.130 0.000 2.066 73 R HA -0.080 4.374 4.340 0.191 0.000 0.232 73 R C 2.100 178.371 176.300 -0.049 0.000 1.131 73 R CA 1.648 57.800 56.100 0.087 0.000 0.955 73 R CB -0.251 30.074 30.300 0.042 0.000 0.851 73 R HN 0.363 nan 8.270 nan 0.000 0.432 74 M N 0.164 119.742 119.600 -0.038 0.000 2.159 74 M HA -0.080 4.514 4.480 0.191 0.000 0.263 74 M C 2.315 178.589 176.300 -0.043 0.000 1.063 74 M CA 1.638 56.905 55.300 -0.055 0.000 1.110 74 M CB -0.949 31.628 32.600 -0.039 0.000 1.374 74 M HN 0.315 nan 8.290 nan 0.000 0.411 75 A N -0.843 121.959 122.820 -0.030 0.000 1.902 75 A HA -0.153 4.281 4.320 0.191 0.000 0.217 75 A C 2.469 180.003 177.584 -0.083 0.000 1.181 75 A CA 2.219 54.239 52.037 -0.028 0.000 0.623 75 A CB -0.947 18.049 19.000 -0.007 0.000 0.818 75 A HN 0.490 nan 8.150 nan 0.000 0.443 76 S N -0.340 115.248 115.700 -0.187 0.000 2.368 76 S HA -0.112 4.473 4.470 0.191 0.000 0.225 76 S C 1.929 176.394 174.600 -0.224 0.000 1.030 76 S CA 1.517 59.511 58.200 -0.344 0.000 0.999 76 S CB -0.512 62.174 63.200 -0.858 0.000 0.844 76 S HN 0.488 nan 8.310 nan 0.000 0.459 77 L N 0.812 121.911 121.223 -0.207 0.000 2.141 77 L HA 0.018 4.472 4.340 0.191 0.000 0.209 77 L C 2.451 179.363 176.870 0.070 0.000 1.094 77 L CA 1.073 55.819 54.840 -0.156 0.000 0.763 77 L CB -0.419 41.497 42.059 -0.237 0.000 0.908 77 L HN 0.300 nan 8.230 nan 0.000 0.437 78 E N 0.077 120.304 120.200 0.044 0.000 2.478 78 E HA 0.042 4.506 4.350 0.191 0.000 0.194 78 E C 1.372 178.002 176.600 0.050 0.000 1.045 78 E CA 0.699 57.151 56.400 0.087 0.000 0.868 78 E CB 0.430 30.188 29.700 0.096 0.000 0.885 78 E HN 0.480 nan 8.360 nan 0.000 0.505 79 G N 1.284 110.092 108.800 0.014 0.000 2.160 79 G HA2 -0.241 3.833 3.960 0.191 0.000 0.251 79 G HA3 -0.241 3.833 3.960 0.191 0.000 0.251 79 G C 0.509 175.409 174.900 0.000 0.000 1.008 79 G CA 0.271 45.373 45.100 0.003 0.000 0.724 79 G HN 0.466 nan 8.290 nan 0.000 0.514 80 G N -1.447 107.350 108.800 -0.004 0.000 2.491 80 G HA2 0.635 4.710 3.960 0.191 0.000 0.327 80 G HA3 0.635 4.710 3.960 0.191 0.000 0.327 80 G C 0.474 175.373 174.900 -0.003 0.000 1.189 80 G CA 0.498 45.599 45.100 0.001 0.000 0.956 80 G HN 0.332 nan 8.290 nan 0.000 0.491 81 E N -0.610 119.592 120.200 0.004 0.000 2.112 81 E HA 0.278 4.742 4.350 0.191 0.000 0.190 81 E C 0.990 177.596 176.600 0.011 0.000 0.979 81 E CA 0.921 57.325 56.400 0.007 0.000 0.814 81 E CB 0.152 29.857 29.700 0.008 0.000 0.762 81 E HN 0.561 nan 8.360 nan 0.000 0.460 82 A N -0.294 122.532 122.820 0.009 0.000 2.556 82 A HA 0.706 5.140 4.320 0.191 0.000 0.294 82 A C -0.341 177.250 177.584 0.011 0.000 1.091 82 A CA -0.266 51.778 52.037 0.010 0.000 0.704 82 A CB 1.943 20.947 19.000 0.006 0.000 1.300 82 A HN 0.208 nan 8.150 nan 0.000 0.406 83 G N -0.794 108.012 108.800 0.011 0.000 2.569 83 G HA2 0.690 4.764 3.960 0.191 0.000 0.300 83 G HA3 0.690 4.764 3.960 0.191 0.000 0.300 83 G C -1.904 173.001 174.900 0.008 0.000 1.269 83 G CA -0.534 44.574 45.100 0.013 0.000 0.959 83 G HN 1.296 nan 8.290 nan 0.000 0.478 84 L N 0.577 121.808 121.223 0.012 0.000 2.464 84 L HA 0.823 5.278 4.340 0.191 0.000 0.266 84 L C -0.154 176.722 176.870 0.011 0.000 0.965 84 L CA -0.685 54.160 54.840 0.008 0.000 0.833 84 L CB 1.804 43.868 42.059 0.009 0.000 1.296 84 L HN 0.884 nan 8.230 nan 0.000 0.405 85 A N 5.329 128.153 122.820 0.006 0.000 2.305 85 A HA 0.847 5.281 4.320 0.191 0.000 0.322 85 A C -1.320 176.269 177.584 0.007 0.000 1.187 85 A CA -0.496 51.545 52.037 0.007 0.000 0.825 85 A CB 0.672 19.674 19.000 0.003 0.000 1.164 85 A HN 0.581 nan 8.150 nan 0.000 0.498 86 L N 0.932 122.159 121.223 0.008 0.000 2.283 86 L HA 0.574 5.028 4.340 0.191 0.000 0.259 86 L C 1.546 178.419 176.870 0.005 0.000 1.027 86 L CA -0.091 54.751 54.840 0.004 0.000 0.828 86 L CB 1.054 43.111 42.059 -0.002 0.000 1.380 86 L HN 0.817 nan 8.230 nan 0.000 0.425 87 A N 0.818 123.640 122.820 0.003 0.000 2.070 87 A HA 0.052 4.487 4.320 0.191 0.000 0.220 87 A C 0.846 178.431 177.584 0.002 0.000 1.159 87 A CA 1.650 53.691 52.037 0.006 0.000 0.656 87 A CB -0.221 18.782 19.000 0.006 0.000 0.800 87 A HN 0.837 nan 8.150 nan 0.000 0.453 88 S N -5.103 110.592 115.700 -0.008 0.000 2.611 88 S HA 0.509 5.093 4.470 0.191 0.000 0.268 88 S C 0.913 175.494 174.600 -0.031 0.000 1.156 88 S CA 0.067 58.258 58.200 -0.016 0.000 0.817 88 S CB 0.750 63.941 63.200 -0.016 0.000 1.122 88 S HN 0.762 nan 8.310 nan 0.000 0.466 89 G N 0.572 109.344 108.800 -0.047 0.000 2.422 89 G HA2 -0.158 3.916 3.960 0.191 0.000 0.218 89 G HA3 -0.158 3.916 3.960 0.191 0.000 0.218 89 G C 1.141 175.988 174.900 -0.087 0.000 1.146 89 G CA 1.324 46.382 45.100 -0.070 0.000 0.769 89 G HN 0.669 nan 8.290 nan 0.000 0.547 90 M N 1.775 121.321 119.600 -0.090 0.000 2.229 90 M HA 0.158 4.752 4.480 0.191 0.000 0.264 90 M C 2.400 178.612 176.300 -0.148 0.000 1.063 90 M CA 1.631 56.861 55.300 -0.117 0.000 1.114 90 M CB -0.689 31.865 32.600 -0.077 0.000 1.387 90 M HN 0.102 nan 8.290 nan 0.000 0.420 91 G N -0.810 107.936 108.800 -0.090 0.000 2.408 91 G HA2 -0.071 4.004 3.960 0.191 0.000 0.217 91 G HA3 -0.071 4.004 3.960 0.191 0.000 0.217 91 G C 1.535 176.394 174.900 -0.068 0.000 1.150 91 G CA 0.865 45.922 45.100 -0.072 0.000 0.776 91 G HN 0.645 nan 8.290 nan 0.000 0.542 92 A N 0.753 123.539 122.820 -0.056 0.000 1.873 92 A HA 0.102 4.537 4.320 0.191 0.000 0.215 92 A C 2.389 179.941 177.584 -0.054 0.000 1.186 92 A CA 1.186 53.202 52.037 -0.035 0.000 0.616 92 A CB -0.310 18.681 19.000 -0.014 0.000 0.823 92 A HN 0.361 nan 8.150 nan 0.000 0.442 93 I N 0.274 120.788 120.570 -0.095 0.000 2.163 93 I HA -0.232 4.052 4.170 0.191 0.000 0.240 93 I C 2.911 178.888 176.117 -0.234 0.000 1.081 93 I CA 1.882 63.104 61.300 -0.129 0.000 1.353 93 I CB -0.756 37.160 38.000 -0.141 0.000 1.054 93 I HN 0.534 nan 8.210 nan 0.000 0.407 94 T N -2.070 112.229 114.554 -0.424 0.000 2.746 94 T HA -0.126 4.339 4.350 0.191 0.000 0.267 94 T C 2.010 176.641 174.700 -0.115 0.000 1.039 94 T CA 1.588 63.307 62.100 -0.635 0.000 1.142 94 T CB -0.597 67.826 68.868 -0.740 0.000 0.866 94 T HN 0.176 nan 8.240 nan 0.000 0.444 95 S N 1.279 116.973 115.700 -0.009 0.000 2.383 95 S HA -0.103 4.482 4.470 0.191 0.000 0.229 95 S C 2.320 176.972 174.600 0.086 0.000 1.030 95 S CA 1.667 59.921 58.200 0.091 0.000 1.002 95 S CB -0.885 62.337 63.200 0.037 0.000 0.829 95 S HN 0.693 nan 8.310 nan 0.000 0.467 96 T N 2.758 117.328 114.554 0.026 0.000 2.701 96 T HA 0.083 4.548 4.350 0.191 0.000 0.263 96 T C 1.775 176.497 174.700 0.037 0.000 1.040 96 T CA 0.936 63.054 62.100 0.030 0.000 1.147 96 T CB -0.379 68.499 68.868 0.017 0.000 0.865 96 T HN 0.251 nan 8.240 nan 0.000 0.426 97 L N -1.072 120.149 121.223 -0.003 0.000 2.093 97 L HA -0.022 4.432 4.340 0.191 0.000 0.208 97 L C 2.446 179.335 176.870 0.033 0.000 1.085 97 L CA 1.266 56.086 54.840 -0.033 0.000 0.755 97 L CB -0.543 41.465 42.059 -0.084 0.000 0.904 97 L HN 0.385 nan 8.230 nan 0.000 0.435 98 W N 0.289 121.633 121.300 0.073 0.000 2.374 98 W HA -0.185 4.588 4.660 0.189 0.000 0.288 98 W C 2.624 179.140 176.519 -0.005 0.000 1.218 98 W CA 0.999 58.361 57.345 0.029 0.000 1.245 98 W CB -0.294 29.166 29.460 -0.000 0.000 1.126 98 W HN 0.051 nan 8.180 nan 0.000 0.545 99 T N 0.803 115.495 114.554 0.231 0.000 2.770 99 T HA -0.132 4.333 4.350 0.191 0.000 0.263 99 T C 1.691 176.445 174.700 0.091 0.000 1.039 99 T CA 1.134 63.310 62.100 0.127 0.000 1.142 99 T CB -0.457 68.462 68.868 0.084 0.000 0.868 99 T HN 0.064 nan 8.240 nan 0.000 0.435 100 L N 0.189 121.456 121.223 0.074 0.000 2.418 100 L HA 0.162 4.616 4.340 0.191 0.000 0.218 100 L C 0.218 177.111 176.870 0.038 0.000 1.125 100 L CA 0.290 55.157 54.840 0.046 0.000 0.835 100 L CB -0.172 41.906 42.059 0.031 0.000 0.953 100 L HN 0.162 nan 8.230 nan 0.000 0.454 101 L N -0.130 121.122 121.223 0.048 0.000 2.333 101 L HA 0.605 5.059 4.340 0.191 0.000 0.269 101 L C -0.224 176.690 176.870 0.073 0.000 1.010 101 L CA -0.299 54.560 54.840 0.032 0.000 0.818 101 L CB 1.701 43.743 42.059 -0.028 0.000 1.306 101 L HN 0.042 nan 8.230 nan 0.000 0.430 102 R N 0.716 121.248 120.500 0.053 0.000 2.764 102 R HA 0.469 4.923 4.340 0.191 0.000 0.270 102 R C -2.620 173.714 176.300 0.056 0.000 1.014 102 R CA -2.286 53.856 56.100 0.071 0.000 0.904 102 R CB 1.534 31.866 30.300 0.053 0.000 1.236 102 R HN 0.241 nan 8.270 nan 0.000 0.466 103 P HA 0.015 nan 4.420 nan 0.000 0.261 103 P C 0.664 177.979 177.300 0.025 0.000 1.173 103 P CA 1.533 64.667 63.100 0.058 0.000 0.760 103 P CB 0.356 32.099 31.700 0.070 0.000 0.783 104 G N 2.154 110.959 108.800 0.008 0.000 2.279 104 G HA2 -0.186 3.888 3.960 0.191 0.000 0.223 104 G HA3 -0.186 3.888 3.960 0.191 0.000 0.223 104 G C 0.042 174.930 174.900 -0.019 0.000 1.015 104 G CA -0.293 44.803 45.100 -0.007 0.000 0.621 104 G HN 0.504 nan 8.290 nan 0.000 0.506 105 D N 1.246 121.636 120.400 -0.017 0.000 2.362 105 D HA 0.491 5.245 4.640 0.191 0.000 0.242 105 D C 0.493 176.765 176.300 -0.046 0.000 1.132 105 D CA 0.375 54.358 54.000 -0.028 0.000 0.907 105 D CB 1.201 41.989 40.800 -0.019 0.000 1.195 105 D HN 0.639 nan 8.370 nan 0.000 0.429 106 E N 0.323 120.493 120.200 -0.050 0.000 2.199 106 E HA 0.482 4.947 4.350 0.191 0.000 0.269 106 E C -1.635 174.928 176.600 -0.062 0.000 0.899 106 E CA -0.795 55.568 56.400 -0.061 0.000 0.772 106 E CB 1.385 31.055 29.700 -0.050 0.000 1.155 106 E HN 0.060 nan 8.360 nan 0.000 0.408 107 V N 5.438 125.296 119.914 -0.093 0.000 2.444 107 V HA 0.306 4.540 4.120 0.191 0.000 0.294 107 V C -0.121 175.923 176.094 -0.083 0.000 1.022 107 V CA -0.762 61.486 62.300 -0.087 0.000 0.850 107 V CB 1.352 33.086 31.823 -0.149 0.000 0.992 107 V HN 0.702 nan 8.190 nan 0.000 0.426 108 L N 6.124 127.336 121.223 -0.018 0.000 2.276 108 L HA 0.562 5.017 4.340 0.191 0.000 0.286 108 L C -0.513 176.381 176.870 0.040 0.000 1.061 108 L CA -0.161 54.677 54.840 -0.003 0.000 0.807 108 L CB 1.062 43.141 42.059 0.034 0.000 1.177 108 L HN 0.437 nan 8.230 nan 0.000 0.429 109 L N 1.990 123.207 121.223 -0.011 0.000 2.319 109 L HA 0.631 5.086 4.340 0.191 0.000 0.267 109 L C 0.738 177.728 176.870 0.201 0.000 1.011 109 L CA -0.767 54.126 54.840 0.088 0.000 0.818 109 L CB 1.716 43.707 42.059 -0.114 0.000 1.316 109 L HN 0.586 nan 8.230 nan 0.000 0.432 110 G N 0.390 109.372 108.800 0.302 0.000 2.544 110 G HA2 -0.007 4.067 3.960 0.191 0.000 0.242 110 G HA3 -0.007 4.067 3.960 0.191 0.000 0.242 110 G C 0.924 176.028 174.900 0.340 0.000 1.247 110 G CA -0.259 45.000 45.100 0.266 0.000 0.840 110 G HN 0.880 nan 8.290 nan 0.000 0.578 111 N N -0.198 118.637 118.700 0.226 0.000 2.061 111 N HA -0.142 4.713 4.740 0.191 0.000 0.193 111 N C 0.879 176.470 175.510 0.135 0.000 1.030 111 N CA 1.866 55.022 53.050 0.176 0.000 0.856 111 N CB -0.692 37.852 38.487 0.094 0.000 1.023 111 N HN 0.558 nan 8.380 nan 0.000 0.424 112 T N -1.309 113.338 114.554 0.156 0.000 2.812 112 T HA 0.708 5.173 4.350 0.191 0.000 0.282 112 T C -0.164 174.671 174.700 0.226 0.000 0.990 112 T CA -0.982 61.197 62.100 0.132 0.000 0.960 112 T CB 1.784 70.697 68.868 0.075 0.000 0.948 112 T HN 0.095 nan 8.240 nan 0.000 0.438 113 L N 2.180 123.567 121.223 0.273 0.000 2.279 113 L HA 0.562 5.016 4.340 0.191 0.000 0.262 113 L C -0.346 176.711 176.870 0.311 0.000 1.019 113 L CA -1.800 53.253 54.840 0.354 0.000 0.823 113 L CB 1.657 44.001 42.059 0.475 0.000 1.358 113 L HN 0.726 nan 8.230 nan 0.000 0.432 114 Y N 0.295 120.732 120.300 0.229 0.000 2.610 114 Y HA 0.093 4.758 4.550 0.191 0.000 0.332 114 Y C 1.309 177.319 175.900 0.183 0.000 1.201 114 Y CA 0.707 58.920 58.100 0.188 0.000 1.465 114 Y CB 1.414 39.972 38.460 0.164 0.000 1.283 114 Y HN 0.725 nan 8.280 nan 0.000 0.563 115 G N 3.813 112.302 108.800 -0.518 0.000 2.732 115 G HA2 -0.430 3.645 3.960 0.191 0.000 0.222 115 G HA3 -0.430 3.645 3.960 0.191 0.000 0.222 115 G C 1.697 176.566 174.900 -0.052 0.000 1.203 115 G CA 1.341 46.228 45.100 -0.355 0.000 0.780 115 G HN 0.884 nan 8.290 nan 0.000 0.621 116 C N 0.133 119.423 119.300 -0.017 0.000 2.435 116 C HA 0.025 4.600 4.460 0.191 0.000 0.279 116 C C 3.251 178.455 174.990 0.357 0.000 1.321 116 C CA 2.005 61.179 59.018 0.261 0.000 1.752 116 C CB -1.219 26.747 27.740 0.375 0.000 1.959 116 C HN 0.485 nan 8.230 nan 0.000 0.500 117 T N 0.294 115.130 114.554 0.471 0.000 2.708 117 T HA -0.177 4.288 4.350 0.191 0.000 0.266 117 T C 1.416 176.310 174.700 0.324 0.000 1.037 117 T CA 1.873 64.192 62.100 0.366 0.000 1.146 117 T CB -0.555 68.544 68.868 0.384 0.000 0.865 117 T HN 0.638 nan 8.240 nan 0.000 0.435 118 F N 2.140 122.217 119.950 0.211 0.000 2.161 118 F HA -0.034 4.607 4.527 0.190 0.000 0.300 118 F C 2.348 178.303 175.800 0.259 0.000 1.089 118 F CA 0.949 59.083 58.000 0.224 0.000 1.282 118 F CB -0.499 38.590 39.000 0.148 0.000 1.010 118 F HN 0.140 nan 8.300 nan 0.000 0.485 119 A N -0.048 123.043 122.820 0.451 0.000 1.897 119 A HA -0.141 4.293 4.320 0.191 0.000 0.215 119 A C 2.083 179.847 177.584 0.301 0.000 1.181 119 A CA 1.300 53.580 52.037 0.406 0.000 0.620 119 A CB -1.492 17.673 19.000 0.276 0.000 0.821 119 A HN 0.520 nan 8.150 nan 0.000 0.443 120 F N 0.884 120.879 119.950 0.075 0.000 2.102 120 F HA -0.145 4.498 4.527 0.193 0.000 0.298 120 F C 1.828 177.541 175.800 -0.145 0.000 1.105 120 F CA 1.272 59.253 58.000 -0.031 0.000 1.239 120 F CB -0.358 38.581 39.000 -0.102 0.000 0.991 120 F HN 0.090 nan 8.300 nan 0.000 0.474 121 L N -0.107 120.806 121.223 -0.516 0.000 2.046 121 L HA -0.223 4.231 4.340 0.191 0.000 0.208 121 L C 2.676 179.115 176.870 -0.718 0.000 1.077 121 L CA 1.883 56.242 54.840 -0.802 0.000 0.747 121 L CB -1.771 39.862 42.059 -0.709 0.000 0.896 121 L HN 0.312 nan 8.230 nan 0.000 0.432 122 H N -1.707 117.127 119.070 -0.394 0.000 2.431 122 H HA 0.023 4.693 4.556 0.191 0.000 0.295 122 H C 1.593 176.704 175.328 -0.361 0.000 1.038 122 H CA 1.006 56.812 56.048 -0.403 0.000 1.360 122 H CB 0.200 29.637 29.762 -0.543 0.000 1.433 122 H HN 0.460 nan 8.280 nan 0.000 0.536 123 H N -0.623 118.468 119.070 0.035 0.000 2.586 123 H HA 0.208 4.878 4.556 0.191 0.000 0.273 123 H C 1.556 176.948 175.328 0.108 0.000 0.997 123 H CA 0.393 56.490 56.048 0.081 0.000 1.177 123 H CB 0.835 30.672 29.762 0.125 0.000 1.471 123 H HN 0.319 nan 8.280 nan 0.000 0.538 124 G N -0.099 108.779 108.800 0.130 0.000 2.694 124 G HA2 0.021 4.096 3.960 0.191 0.000 0.212 124 G HA3 0.021 4.096 3.960 0.191 0.000 0.212 124 G C 1.215 176.212 174.900 0.162 0.000 2.030 124 G CA -0.096 45.139 45.100 0.225 0.000 0.731 124 G HN 0.288 nan 8.290 nan 0.000 0.795 125 I N 1.522 121.849 120.570 -0.405 0.000 2.335 125 I HA -0.057 4.228 4.170 0.191 0.000 0.251 125 I C 2.482 178.492 176.117 -0.178 0.000 1.129 125 I CA 1.622 62.640 61.300 -0.470 0.000 1.402 125 I CB -0.165 37.052 38.000 -1.305 0.000 1.069 125 I HN 0.314 nan 8.210 nan 0.000 0.424 126 G N -0.014 108.596 108.800 -0.316 0.000 2.498 126 G HA2 -0.201 3.874 3.960 0.191 0.000 0.219 126 G HA3 -0.201 3.874 3.960 0.191 0.000 0.219 126 G C 1.295 176.137 174.900 -0.096 0.000 1.119 126 G CA 0.409 45.365 45.100 -0.240 0.000 0.766 126 G HN 0.539 nan 8.290 nan 0.000 0.552 127 E N -0.644 119.547 120.200 -0.015 0.000 2.465 127 E HA 0.144 4.609 4.350 0.191 0.000 0.191 127 E C -0.016 176.445 176.600 -0.232 0.000 1.053 127 E CA -0.253 56.083 56.400 -0.107 0.000 0.869 127 E CB 0.123 29.741 29.700 -0.136 0.000 0.977 127 E HN 0.496 nan 8.360 nan 0.000 0.483 128 F N 0.190 120.150 119.950 0.017 0.000 2.850 128 F HA 0.299 4.941 4.527 0.191 0.000 0.306 128 F C 1.349 177.169 175.800 0.033 0.000 1.162 128 F CA -0.101 57.938 58.000 0.066 0.000 1.327 128 F CB 1.182 40.293 39.000 0.185 0.000 0.953 128 F HN 0.053 nan 8.300 nan 0.000 0.507 129 G N -0.146 108.704 108.800 0.083 0.000 2.175 129 G HA2 -0.252 3.823 3.960 0.191 0.000 0.244 129 G HA3 -0.252 3.823 3.960 0.191 0.000 0.244 129 G C -0.016 174.896 174.900 0.020 0.000 0.982 129 G CA 0.005 45.133 45.100 0.046 0.000 0.641 129 G HN 0.132 nan 8.290 nan 0.000 0.527 130 V N 1.715 121.634 119.914 0.008 0.000 2.461 130 V HA 0.424 4.659 4.120 0.191 0.000 0.275 130 V C 0.822 176.855 176.094 -0.102 0.000 1.047 130 V CA -0.202 62.065 62.300 -0.054 0.000 0.955 130 V CB 1.543 33.304 31.823 -0.104 0.000 0.988 130 V HN 0.413 nan 8.190 nan 0.000 0.471 131 K N 4.320 124.665 120.400 -0.092 0.000 2.276 131 K HA 0.509 4.943 4.320 0.191 0.000 0.283 131 K C -1.203 175.310 176.600 -0.145 0.000 1.044 131 K CA -0.548 55.680 56.287 -0.099 0.000 0.944 131 K CB 0.767 33.228 32.500 -0.065 0.000 1.012 131 K HN 0.418 nan 8.250 nan 0.000 0.472 132 L N 4.377 125.498 121.223 -0.170 0.000 2.333 132 L HA 0.576 5.030 4.340 0.191 0.000 0.269 132 L C -0.766 176.008 176.870 -0.161 0.000 1.010 132 L CA -0.316 54.378 54.840 -0.244 0.000 0.818 132 L CB 1.793 43.595 42.059 -0.428 0.000 1.306 132 L HN 0.734 nan 8.230 nan 0.000 0.430 133 R N 0.942 121.320 120.500 -0.203 0.000 2.572 133 R HA 0.431 4.885 4.340 0.191 0.000 0.273 133 R C -1.379 174.839 176.300 -0.137 0.000 1.168 133 R CA -0.790 55.250 56.100 -0.100 0.000 1.021 133 R CB 0.768 31.049 30.300 -0.031 0.000 1.249 133 R HN 0.487 nan 8.270 nan 0.000 0.423 134 H N 1.843 120.961 119.070 0.081 0.000 2.582 134 H HA 0.472 5.143 4.556 0.190 0.000 0.345 134 H C -0.176 175.193 175.328 0.069 0.000 1.104 134 H CA -0.237 55.869 56.048 0.097 0.000 1.390 134 H CB 1.950 31.794 29.762 0.138 0.000 1.461 134 H HN 0.274 nan 8.280 nan 0.000 0.551 135 V N 2.110 122.122 119.914 0.163 0.000 3.012 135 V HA -0.018 4.217 4.120 0.191 0.000 0.307 135 V C -0.171 175.960 176.094 0.062 0.000 1.166 135 V CA -1.042 61.311 62.300 0.088 0.000 0.974 135 V CB 2.611 34.459 31.823 0.042 0.000 1.040 135 V HN 0.695 nan 8.190 nan 0.000 0.428 136 D N 3.514 123.933 120.400 0.032 0.000 2.359 136 D HA 0.196 4.951 4.640 0.191 0.000 0.250 136 D C 1.004 177.272 176.300 -0.054 0.000 1.264 136 D CA -0.331 53.672 54.000 0.004 0.000 0.911 136 D CB 1.269 42.073 40.800 0.006 0.000 1.056 136 D HN 0.427 nan 8.370 nan 0.000 0.499 137 M N 3.262 122.793 119.600 -0.115 0.000 2.267 137 M HA -0.040 4.555 4.480 0.191 0.000 0.263 137 M C 1.985 178.166 176.300 -0.198 0.000 1.063 137 M CA 1.276 56.426 55.300 -0.250 0.000 1.090 137 M CB -0.846 31.418 32.600 -0.560 0.000 1.392 137 M HN 0.331 nan 8.290 nan 0.000 0.422 138 A N -0.461 122.284 122.820 -0.124 0.000 2.119 138 A HA -0.062 4.373 4.320 0.191 0.000 0.217 138 A C 0.802 178.342 177.584 -0.074 0.000 1.153 138 A CA 1.064 53.047 52.037 -0.091 0.000 0.692 138 A CB -0.608 18.355 19.000 -0.060 0.000 0.799 138 A HN 0.458 nan 8.150 nan 0.000 0.458 139 D N -0.234 120.128 120.400 -0.065 0.000 2.479 139 D HA 0.414 5.168 4.640 0.191 0.000 0.247 139 D C 0.921 177.193 176.300 -0.047 0.000 1.119 139 D CA -0.369 53.603 54.000 -0.046 0.000 0.922 139 D CB 0.039 40.822 40.800 -0.029 0.000 1.014 139 D HN 0.184 nan 8.370 nan 0.000 0.510 140 L N 1.979 123.173 121.223 -0.049 0.000 2.127 140 L HA -0.231 4.224 4.340 0.191 0.000 0.211 140 L C 1.881 178.735 176.870 -0.027 0.000 1.089 140 L CA 1.029 55.844 54.840 -0.043 0.000 0.757 140 L CB -0.240 41.796 42.059 -0.039 0.000 0.899 140 L HN 0.374 nan 8.230 nan 0.000 0.434 141 Q N 0.060 119.847 119.800 -0.022 0.000 2.084 141 Q HA -0.141 4.314 4.340 0.191 0.000 0.202 141 Q C 2.443 178.438 176.000 -0.008 0.000 0.978 141 Q CA 1.921 57.716 55.803 -0.013 0.000 0.844 141 Q CB -0.547 28.184 28.738 -0.011 0.000 0.898 141 Q HN 0.513 nan 8.270 nan 0.000 0.426 142 A N 0.058 122.872 122.820 -0.009 0.000 1.930 142 A HA -0.102 4.333 4.320 0.191 0.000 0.217 142 A C 1.980 179.564 177.584 0.000 0.000 1.175 142 A CA 1.125 53.162 52.037 -0.001 0.000 0.627 142 A CB -0.617 18.384 19.000 0.002 0.000 0.815 142 A HN 0.353 nan 8.150 nan 0.000 0.443 143 L N 0.223 121.440 121.223 -0.011 0.000 2.017 143 L HA -0.125 4.329 4.340 0.191 0.000 0.208 143 L C 2.229 179.101 176.870 0.003 0.000 1.073 143 L CA 2.716 57.550 54.840 -0.010 0.000 0.745 143 L CB -0.747 41.291 42.059 -0.035 0.000 0.894 143 L HN 0.590 nan 8.230 nan 0.000 0.432 144 E N -0.756 119.443 120.200 -0.001 0.000 2.153 144 E HA -0.202 4.262 4.350 0.191 0.000 0.194 144 E C 1.960 178.569 176.600 0.016 0.000 0.988 144 E CA 1.031 57.435 56.400 0.006 0.000 0.811 144 E CB -0.132 29.566 29.700 -0.003 0.000 0.746 144 E HN 0.614 nan 8.360 nan 0.000 0.466 145 A N 0.371 123.198 122.820 0.013 0.000 2.119 145 A HA 0.152 4.587 4.320 0.191 0.000 0.216 145 A C 2.115 179.713 177.584 0.023 0.000 1.152 145 A CA 1.057 53.105 52.037 0.017 0.000 0.708 145 A CB -0.164 18.844 19.000 0.012 0.000 0.805 145 A HN 0.345 nan 8.150 nan 0.000 0.460 146 A N -1.210 121.624 122.820 0.023 0.000 2.178 146 A HA 0.360 4.795 4.320 0.191 0.000 0.211 146 A C 0.946 178.550 177.584 0.033 0.000 1.157 146 A CA 0.001 52.053 52.037 0.025 0.000 0.780 146 A CB -0.237 18.777 19.000 0.022 0.000 0.828 146 A HN 0.362 nan 8.150 nan 0.000 0.476 147 M N 1.887 121.517 119.600 0.050 0.000 2.217 147 M HA 0.200 4.794 4.480 0.191 0.000 0.352 147 M C 0.422 176.780 176.300 0.096 0.000 1.376 147 M CA 0.559 55.912 55.300 0.088 0.000 1.107 147 M CB -0.013 32.657 32.600 0.117 0.000 1.723 147 M HN 0.458 nan 8.290 nan 0.000 0.461 148 T N 0.815 115.400 114.554 0.053 0.000 2.916 148 T HA 0.571 5.036 4.350 0.191 0.000 0.292 148 T C -2.405 172.136 174.700 -0.265 0.000 1.064 148 T CA -1.756 60.322 62.100 -0.036 0.000 1.011 148 T CB 2.001 70.842 68.868 -0.046 0.000 1.152 148 T HN 0.287 nan 8.240 nan 0.000 0.510 149 P HA 0.110 nan 4.420 nan 0.000 0.226 149 P C 1.018 178.090 177.300 -0.379 0.000 1.146 149 P CA 0.730 63.401 63.100 -0.716 0.000 0.773 149 P CB -0.117 31.376 31.700 -0.346 0.000 0.772 150 A N -1.852 120.840 122.820 -0.213 0.000 2.220 150 A HA 0.095 4.529 4.320 0.191 0.000 0.211 150 A C 0.947 178.483 177.584 -0.080 0.000 1.176 150 A CA 0.364 52.331 52.037 -0.117 0.000 0.834 150 A CB -0.969 17.984 19.000 -0.078 0.000 0.868 150 A HN 0.069 nan 8.150 nan 0.000 0.488 151 T N 1.245 115.754 114.554 -0.076 0.000 2.829 151 T HA 0.156 4.621 4.350 0.191 0.000 0.293 151 T C 1.052 175.756 174.700 0.007 0.000 0.970 151 T CA 0.131 62.221 62.100 -0.017 0.000 1.168 151 T CB 0.580 69.465 68.868 0.028 0.000 0.911 151 T HN 0.252 nan 8.240 nan 0.000 0.535 152 R N 1.956 122.460 120.500 0.006 0.000 2.342 152 R HA 0.284 4.738 4.340 0.191 0.000 0.204 152 R C -0.139 176.179 176.300 0.029 0.000 0.882 152 R CA 0.230 56.341 56.100 0.018 0.000 1.041 152 R CB 0.658 30.961 30.300 0.005 0.000 1.188 152 R HN 0.427 nan 8.270 nan 0.000 0.598 153 V N 1.874 121.803 119.914 0.026 0.000 2.760 153 V HA 0.476 4.710 4.120 0.191 0.000 0.309 153 V C -0.624 175.514 176.094 0.074 0.000 1.077 153 V CA -0.733 61.594 62.300 0.046 0.000 0.910 153 V CB 3.075 34.914 31.823 0.026 0.000 1.008 153 V HN -0.027 nan 8.190 nan 0.000 0.424 154 I N 4.491 125.133 120.570 0.119 0.000 2.411 154 I HA 0.440 4.725 4.170 0.191 0.000 0.284 154 I C -1.474 174.790 176.117 0.245 0.000 1.012 154 I CA -0.593 60.817 61.300 0.183 0.000 1.119 154 I CB 1.427 39.547 38.000 0.200 0.000 1.261 154 I HN 0.653 nan 8.210 nan 0.000 0.448 155 Y N 9.149 129.526 120.300 0.127 0.000 2.376 155 Y HA 0.715 5.379 4.550 0.190 0.000 0.340 155 Y C -1.181 174.835 175.900 0.194 0.000 0.965 155 Y CA -1.019 57.110 58.100 0.047 0.000 1.078 155 Y CB 1.313 39.761 38.460 -0.019 0.000 1.193 155 Y HN 0.455 nan 8.280 nan 0.000 0.452 156 F N 1.484 121.100 119.950 -0.556 0.000 2.741 156 F HA 0.614 5.256 4.527 0.192 0.000 0.311 156 F C -1.743 173.807 175.800 -0.415 0.000 1.149 156 F CA -1.341 56.461 58.000 -0.329 0.000 0.930 156 F CB 1.179 40.119 39.000 -0.101 0.000 1.312 156 F HN 0.352 nan 8.300 nan 0.000 0.450 157 E N 0.743 120.937 120.200 -0.008 0.000 2.204 157 E HA 0.545 5.010 4.350 0.191 0.000 0.276 157 E C -1.274 175.422 176.600 0.159 0.000 0.974 157 E CA -1.032 55.326 56.400 -0.070 0.000 0.815 157 E CB 1.912 31.618 29.700 0.011 0.000 1.119 157 E HN 0.622 nan 8.360 nan 0.000 0.393 158 S N 3.639 119.382 115.700 0.072 0.000 2.779 158 S HA 0.387 4.971 4.470 0.191 0.000 0.293 158 S C -2.644 172.027 174.600 0.119 0.000 1.150 158 S CA -1.596 56.702 58.200 0.162 0.000 1.057 158 S CB 0.837 64.168 63.200 0.219 0.000 1.021 158 S HN 0.280 nan 8.310 nan 0.000 0.485 159 P HA 0.578 nan 4.420 nan 0.000 0.277 159 P C -1.001 176.422 177.300 0.205 0.000 1.271 159 P CA -0.505 62.676 63.100 0.135 0.000 0.795 159 P CB 1.027 32.744 31.700 0.030 0.000 1.101 160 A N 0.729 123.631 122.820 0.137 0.000 2.515 160 A HA 0.486 4.921 4.320 0.191 0.000 0.296 160 A C -0.065 177.556 177.584 0.061 0.000 1.094 160 A CA -0.851 51.288 52.037 0.169 0.000 0.718 160 A CB 0.660 19.777 19.000 0.194 0.000 1.307 160 A HN 0.520 nan 8.150 nan 0.000 0.408 161 N N 0.565 119.311 118.700 0.076 0.000 2.267 161 N HA 0.122 4.977 4.740 0.191 0.000 0.226 161 N C -1.878 173.677 175.510 0.075 0.000 1.314 161 N CA -0.451 52.633 53.050 0.057 0.000 0.887 161 N CB 0.206 38.733 38.487 0.066 0.000 1.120 161 N HN 0.300 nan 8.380 nan 0.000 0.440 162 P HA 0.149 nan 4.420 nan 0.000 0.234 162 P C 0.319 177.744 177.300 0.209 0.000 1.175 162 P CA 0.697 63.856 63.100 0.099 0.000 0.801 162 P CB 0.456 32.198 31.700 0.069 0.000 0.891 163 N N -0.718 118.053 118.700 0.118 0.000 2.230 163 N HA 0.164 5.018 4.740 0.191 0.000 0.202 163 N C 0.358 175.728 175.510 -0.234 0.000 1.119 163 N CA -0.050 53.011 53.050 0.018 0.000 0.851 163 N CB -0.088 38.266 38.487 -0.222 0.000 0.990 163 N HN -0.111 nan 8.380 nan 0.000 0.497 164 M N 1.525 120.982 119.600 -0.239 0.000 2.297 164 M HA -0.213 4.382 4.480 0.191 0.000 0.200 164 M C -1.260 174.911 176.300 -0.214 0.000 0.414 164 M CA 0.423 55.511 55.300 -0.353 0.000 0.449 164 M CB -1.774 30.363 32.600 -0.771 0.000 1.436 164 M HN 0.168 nan 8.290 nan 0.000 0.912 165 H N 1.052 120.123 119.070 0.002 0.000 2.646 165 H HA 0.374 5.044 4.556 0.191 0.000 0.325 165 H C 0.672 176.010 175.328 0.017 0.000 1.075 165 H CA -0.149 55.907 56.048 0.015 0.000 1.421 165 H CB 0.587 30.363 29.762 0.023 0.000 1.461 165 H HN 0.354 nan 8.280 nan 0.000 0.525 166 M N 1.876 121.567 119.600 0.150 0.000 2.245 166 M HA 0.195 4.789 4.480 0.191 0.000 0.344 166 M C 0.741 177.083 176.300 0.071 0.000 1.170 166 M CA -0.313 55.045 55.300 0.097 0.000 1.135 166 M CB 0.256 32.898 32.600 0.070 0.000 1.574 166 M HN 0.556 nan 8.290 nan 0.000 0.452 167 A N 2.101 124.959 122.820 0.062 0.000 2.295 167 A HA 0.292 4.727 4.320 0.191 0.000 0.318 167 A C -0.023 177.560 177.584 -0.002 0.000 1.134 167 A CA -0.604 51.422 52.037 -0.019 0.000 0.827 167 A CB 0.450 19.365 19.000 -0.140 0.000 1.136 167 A HN 0.759 nan 8.150 nan 0.000 0.493 168 D N 2.218 122.591 120.400 -0.045 0.000 2.508 168 D HA 0.164 4.918 4.640 0.191 0.000 0.224 168 D C 1.119 177.421 176.300 0.004 0.000 1.171 168 D CA -0.014 53.976 54.000 -0.016 0.000 1.006 168 D CB -0.141 40.640 40.800 -0.031 0.000 1.073 168 D HN 0.451 nan 8.370 nan 0.000 0.513 169 I N 2.042 122.654 120.570 0.071 0.000 2.151 169 I HA -0.334 3.950 4.170 0.191 0.000 0.243 169 I C 2.401 178.570 176.117 0.087 0.000 1.080 169 I CA 1.224 62.610 61.300 0.145 0.000 1.339 169 I CB -0.133 37.958 38.000 0.152 0.000 1.039 169 I HN 0.349 nan 8.210 nan 0.000 0.409 170 A N 0.872 123.721 122.820 0.049 0.000 1.933 170 A HA -0.129 4.306 4.320 0.191 0.000 0.218 170 A C 2.431 180.028 177.584 0.021 0.000 1.175 170 A CA 1.926 53.982 52.037 0.031 0.000 0.628 170 A CB -1.368 17.643 19.000 0.019 0.000 0.814 170 A HN 0.486 nan 8.150 nan 0.000 0.444 171 G N -0.672 108.133 108.800 0.009 0.000 2.402 171 G HA2 -0.079 3.996 3.960 0.191 0.000 0.216 171 G HA3 -0.079 3.996 3.960 0.191 0.000 0.216 171 G C 1.491 176.388 174.900 -0.006 0.000 1.162 171 G CA 1.159 46.255 45.100 -0.006 0.000 0.777 171 G HN 0.311 nan 8.290 nan 0.000 0.539 172 V N 1.569 121.480 119.914 -0.005 0.000 2.407 172 V HA -0.119 4.115 4.120 0.191 0.000 0.248 172 V C 3.312 179.434 176.094 0.046 0.000 1.055 172 V CA 1.922 64.224 62.300 0.003 0.000 1.049 172 V CB -0.756 31.066 31.823 -0.002 0.000 0.662 172 V HN 0.468 nan 8.190 nan 0.000 0.455 173 A N -0.271 122.584 122.820 0.059 0.000 1.933 173 A HA -0.276 4.158 4.320 0.191 0.000 0.218 173 A C 2.322 179.923 177.584 0.028 0.000 1.175 173 A CA 2.212 54.280 52.037 0.052 0.000 0.628 173 A CB -0.474 18.555 19.000 0.047 0.000 0.814 173 A HN 0.524 nan 8.150 nan 0.000 0.444 174 K N -0.358 120.052 120.400 0.016 0.000 2.057 174 K HA -0.076 4.358 4.320 0.191 0.000 0.207 174 K C 1.758 178.356 176.600 -0.003 0.000 1.049 174 K CA 1.594 57.883 56.287 0.003 0.000 0.931 174 K CB -0.287 32.212 32.500 -0.002 0.000 0.714 174 K HN 0.545 nan 8.250 nan 0.000 0.440 175 I N 0.506 121.076 120.570 -0.000 0.000 2.233 175 I HA -0.213 4.072 4.170 0.191 0.000 0.243 175 I C 2.438 178.556 176.117 0.002 0.000 1.093 175 I CA 0.953 62.250 61.300 -0.005 0.000 1.380 175 I CB -0.455 37.543 38.000 -0.002 0.000 1.067 175 I HN 0.215 nan 8.210 nan 0.000 0.413 176 A N 1.264 124.100 122.820 0.025 0.000 1.903 176 A HA -0.285 4.150 4.320 0.191 0.000 0.219 176 A C 2.326 179.926 177.584 0.028 0.000 1.191 176 A CA 1.955 54.017 52.037 0.043 0.000 0.638 176 A CB -0.831 18.205 19.000 0.060 0.000 0.823 176 A HN 0.368 nan 8.150 nan 0.000 0.451 177 R N -0.540 119.966 120.500 0.010 0.000 2.261 177 R HA -0.162 4.292 4.340 0.191 0.000 0.236 177 R C 2.174 178.449 176.300 -0.040 0.000 1.141 177 R CA 1.291 57.390 56.100 -0.003 0.000 1.001 177 R CB -0.340 29.956 30.300 -0.006 0.000 0.866 177 R HN 0.716 nan 8.270 nan 0.000 0.468 178 K N 0.370 120.722 120.400 -0.080 0.000 2.044 178 K HA -0.193 4.241 4.320 0.191 0.000 0.210 178 K C 0.639 177.022 176.600 -0.362 0.000 1.049 178 K CA 1.484 57.636 56.287 -0.224 0.000 0.927 178 K CB 0.083 32.434 32.500 -0.248 0.000 0.713 178 K HN 0.319 nan 8.250 nan 0.000 0.443 179 H N -1.620 117.456 119.070 0.011 0.000 2.549 179 H HA 0.180 4.850 4.556 0.191 0.000 0.253 179 H C 0.256 175.591 175.328 0.012 0.000 1.170 179 H CA 0.380 56.434 56.048 0.010 0.000 0.943 179 H CB 0.856 30.623 29.762 0.009 0.000 1.849 179 H HN 0.524 nan 8.280 nan 0.000 0.603 180 G N 1.535 110.385 108.800 0.083 0.000 2.283 180 G HA2 -0.282 3.792 3.960 0.191 0.000 0.280 180 G HA3 -0.282 3.792 3.960 0.191 0.000 0.280 180 G C 0.591 175.530 174.900 0.066 0.000 1.029 180 G CA 0.391 45.528 45.100 0.062 0.000 0.840 180 G HN 0.671 nan 8.290 nan 0.000 0.505 181 A N -0.168 122.699 122.820 0.078 0.000 2.462 181 A HA 0.633 5.068 4.320 0.191 0.000 0.243 181 A C 0.872 178.491 177.584 0.057 0.000 1.076 181 A CA 0.925 53.005 52.037 0.071 0.000 0.773 181 A CB 0.428 19.477 19.000 0.082 0.000 1.010 181 A HN 0.767 nan 8.150 nan 0.000 0.493 182 T N 2.417 117.001 114.554 0.051 0.000 2.749 182 T HA 0.394 4.859 4.350 0.191 0.000 0.295 182 T C -0.026 174.706 174.700 0.052 0.000 0.936 182 T CA -0.203 61.924 62.100 0.044 0.000 1.060 182 T CB 0.699 69.589 68.868 0.036 0.000 0.904 182 T HN 0.383 nan 8.240 nan 0.000 0.500 183 V N 5.130 125.070 119.914 0.044 0.000 2.385 183 V HA 0.297 4.531 4.120 0.191 0.000 0.269 183 V C 0.077 176.144 176.094 -0.045 0.000 1.043 183 V CA -0.519 61.805 62.300 0.039 0.000 0.906 183 V CB 1.097 32.962 31.823 0.070 0.000 0.995 183 V HN 0.669 nan 8.190 nan 0.000 0.467 184 V N 6.198 126.052 119.914 -0.100 0.000 2.409 184 V HA 0.496 4.730 4.120 0.191 0.000 0.291 184 V C -0.205 175.557 176.094 -0.552 0.000 1.020 184 V CA -0.569 61.628 62.300 -0.172 0.000 0.848 184 V CB 1.912 33.780 31.823 0.075 0.000 0.990 184 V HN 0.575 nan 8.190 nan 0.000 0.430 185 V N 3.370 122.946 119.914 -0.564 0.000 2.448 185 V HA 0.394 4.628 4.120 0.191 0.000 0.295 185 V C -0.318 175.419 176.094 -0.595 0.000 1.025 185 V CA -0.618 61.204 62.300 -0.798 0.000 0.859 185 V CB 1.998 33.437 31.823 -0.640 0.000 0.988 185 V HN 0.883 nan 8.190 nan 0.000 0.431 186 D N 3.757 123.763 120.400 -0.656 0.000 2.336 186 D HA 0.094 4.848 4.640 0.191 0.000 0.249 186 D C 0.361 176.390 176.300 -0.452 0.000 1.213 186 D CA 0.121 53.831 54.000 -0.484 0.000 0.870 186 D CB 0.846 41.397 40.800 -0.415 0.000 1.076 186 D HN 0.558 nan 8.370 nan 0.000 0.483 187 N N 2.294 120.686 118.700 -0.513 0.000 2.273 187 N HA 0.042 4.896 4.740 0.191 0.000 0.231 187 N C 0.948 176.327 175.510 -0.219 0.000 1.134 187 N CA -0.088 52.736 53.050 -0.377 0.000 0.856 187 N CB 0.385 38.652 38.487 -0.368 0.000 1.068 187 N HN 0.214 nan 8.380 nan 0.000 0.510 188 T N -0.541 113.856 114.554 -0.261 0.000 2.635 188 T HA -0.190 4.274 4.350 0.191 0.000 0.267 188 T C 1.207 176.017 174.700 0.183 0.000 1.040 188 T CA 1.571 63.667 62.100 -0.007 0.000 1.156 188 T CB -0.494 68.247 68.868 -0.212 0.000 0.863 188 T HN 0.431 nan 8.240 nan 0.000 0.430 189 Y N 0.380 120.769 120.300 0.147 0.000 2.207 189 Y HA -0.189 4.476 4.550 0.190 0.000 0.287 189 Y C 3.004 178.974 175.900 0.117 0.000 1.156 189 Y CA 0.375 58.590 58.100 0.191 0.000 1.182 189 Y CB -0.528 37.980 38.460 0.080 0.000 0.979 189 Y HN 0.311 nan 8.280 nan 0.000 0.521 190 C N -1.350 118.072 119.300 0.204 0.000 2.507 190 C HA 0.111 4.686 4.460 0.191 0.000 0.280 190 C C 1.025 176.055 174.990 0.066 0.000 1.345 190 C CA 0.586 59.650 59.018 0.077 0.000 1.736 190 C CB -0.729 27.046 27.740 0.058 0.000 2.060 190 C HN 0.728 nan 8.230 nan 0.000 0.498 191 T N -1.525 113.141 114.554 0.188 0.000 0.541 191 T HA -0.130 4.335 4.350 0.191 0.000 0.774 191 T C -2.014 172.815 174.700 0.215 0.000 0.992 191 T CA 0.144 62.382 62.100 0.231 0.000 4.077 191 T CB -1.555 67.395 68.868 0.136 0.000 2.303 191 T HN 0.183 nan 8.240 nan 0.000 0.398 192 P HA -0.058 nan 4.420 nan 0.000 0.228 192 P C 1.231 178.653 177.300 0.203 0.000 1.151 192 P CA 1.271 64.530 63.100 0.265 0.000 0.770 192 P CB -0.246 31.642 31.700 0.314 0.000 0.786 193 Y N 1.003 121.248 120.300 -0.092 0.000 2.314 193 Y HA -0.035 4.630 4.550 0.193 0.000 0.293 193 Y C 2.074 177.764 175.900 -0.350 0.000 1.129 193 Y CA 1.325 59.066 58.100 -0.600 0.000 1.201 193 Y CB -0.596 37.537 38.460 -0.545 0.000 0.999 193 Y HN -0.196 nan 8.280 nan 0.000 0.541 194 L N -0.626 120.464 121.223 -0.221 0.000 2.515 194 L HA 0.189 4.644 4.340 0.191 0.000 0.223 194 L C 0.235 177.023 176.870 -0.136 0.000 1.079 194 L CA 0.215 54.906 54.840 -0.249 0.000 0.857 194 L CB 0.336 42.311 42.059 -0.141 0.000 1.050 194 L HN 0.045 nan 8.230 nan 0.000 0.476 195 Q N 0.487 120.255 119.800 -0.054 0.000 2.320 195 Q HA 0.374 4.829 4.340 0.191 0.000 0.272 195 Q C -1.223 174.792 176.000 0.024 0.000 1.023 195 Q CA -0.590 55.202 55.803 -0.017 0.000 0.855 195 Q CB 2.126 30.864 28.738 -0.001 0.000 1.367 195 Q HN 0.101 nan 8.270 nan 0.000 0.406 196 R N 4.377 124.889 120.500 0.019 0.000 2.494 196 R HA 0.255 4.709 4.340 0.191 0.000 0.284 196 R C -2.180 174.130 176.300 0.017 0.000 1.525 196 R CA -1.639 54.484 56.100 0.039 0.000 1.460 196 R CB 1.297 31.628 30.300 0.052 0.000 1.134 196 R HN 0.448 nan 8.270 nan 0.000 0.592 197 P HA -0.205 nan 4.420 nan 0.000 0.217 197 P C 0.983 178.278 177.300 -0.009 0.000 1.148 197 P CA 1.271 64.360 63.100 -0.018 0.000 0.834 197 P CB 0.282 31.935 31.700 -0.078 0.000 0.783 198 L N -0.633 120.587 121.223 -0.005 0.000 2.141 198 L HA -0.141 4.313 4.340 0.191 0.000 0.209 198 L C 1.943 178.819 176.870 0.009 0.000 1.094 198 L CA 1.403 56.244 54.840 0.001 0.000 0.763 198 L CB -0.854 41.208 42.059 0.006 0.000 0.908 198 L HN 0.074 nan 8.230 nan 0.000 0.437 199 E N -0.014 120.194 120.200 0.013 0.000 2.502 199 E HA -0.017 4.447 4.350 0.191 0.000 0.194 199 E C 1.650 178.258 176.600 0.013 0.000 1.062 199 E CA 0.333 56.741 56.400 0.014 0.000 0.867 199 E CB 0.234 29.944 29.700 0.017 0.000 0.888 199 E HN 0.538 nan 8.360 nan 0.000 0.510 200 L N -1.018 120.214 121.223 0.015 0.000 2.693 200 L HA 0.302 4.756 4.340 0.191 0.000 0.235 200 L C 1.343 178.228 176.870 0.025 0.000 1.127 200 L CA 0.295 55.147 54.840 0.020 0.000 0.914 200 L CB 0.737 42.812 42.059 0.026 0.000 1.193 200 L HN 0.270 nan 8.230 nan 0.000 0.502 201 G N -0.053 108.759 108.800 0.020 0.000 2.296 201 G HA2 -0.173 3.901 3.960 0.191 0.000 0.188 201 G HA3 -0.173 3.901 3.960 0.191 0.000 0.188 201 G C 0.442 175.356 174.900 0.023 0.000 1.000 201 G CA -0.182 44.932 45.100 0.023 0.000 0.672 201 G HN 0.351 nan 8.290 nan 0.000 0.483 202 A N 0.436 123.265 122.820 0.014 0.000 2.466 202 A HA 0.524 4.958 4.320 0.191 0.000 0.238 202 A C 1.112 178.690 177.584 -0.011 0.000 1.074 202 A CA 1.041 53.074 52.037 -0.008 0.000 0.774 202 A CB 0.273 19.238 19.000 -0.057 0.000 1.015 202 A HN 0.199 nan 8.150 nan 0.000 0.498 203 D N -0.117 120.274 120.400 -0.014 0.000 2.262 203 D HA 0.187 4.942 4.640 0.191 0.000 0.212 203 D C 0.036 176.327 176.300 -0.015 0.000 0.964 203 D CA 1.121 55.118 54.000 -0.005 0.000 0.875 203 D CB 0.173 40.977 40.800 0.006 0.000 0.996 203 D HN 0.430 nan 8.370 nan 0.000 0.497 204 L N 0.520 121.722 121.223 -0.036 0.000 2.434 204 L HA 0.377 4.831 4.340 0.191 0.000 0.260 204 L C -0.866 175.952 176.870 -0.087 0.000 0.983 204 L CA -1.032 53.784 54.840 -0.039 0.000 0.820 204 L CB 2.952 45.001 42.059 -0.017 0.000 1.361 204 L HN -0.258 nan 8.230 nan 0.000 0.410 205 V N 0.210 120.077 119.914 -0.079 0.000 2.656 205 V HA 0.871 5.105 4.120 0.191 0.000 0.307 205 V C -0.424 175.588 176.094 -0.136 0.000 1.051 205 V CA -0.782 61.425 62.300 -0.154 0.000 0.893 205 V CB 1.737 33.479 31.823 -0.134 0.000 0.999 205 V HN 0.517 nan 8.190 nan 0.000 0.426 206 V N 1.070 120.845 119.914 -0.232 0.000 2.864 206 V HA 0.758 4.992 4.120 0.191 0.000 0.314 206 V C -0.731 175.170 176.094 -0.321 0.000 1.073 206 V CA -0.349 61.859 62.300 -0.153 0.000 0.956 206 V CB 1.962 33.754 31.823 -0.052 0.000 1.023 206 V HN 1.089 nan 8.190 nan 0.000 0.435 207 H N 1.436 120.474 119.070 -0.055 0.000 2.851 207 H HA 0.497 5.168 4.556 0.192 0.000 0.372 207 H C -0.820 174.467 175.328 -0.068 0.000 1.158 207 H CA -0.406 55.605 56.048 -0.061 0.000 1.159 207 H CB 2.317 32.066 29.762 -0.023 0.000 1.757 207 H HN 0.822 nan 8.280 nan 0.000 0.546 208 S N 1.615 117.341 115.700 0.043 0.000 2.464 208 S HA 0.322 4.906 4.470 0.191 0.000 0.313 208 S C 1.084 175.705 174.600 0.035 0.000 1.078 208 S CA -0.187 58.001 58.200 -0.019 0.000 1.096 208 S CB -0.116 63.016 63.200 -0.112 0.000 1.032 208 S HN 0.718 nan 8.310 nan 0.000 0.498 209 A N 4.483 127.327 122.820 0.040 0.000 2.216 209 A HA 0.134 4.569 4.320 0.191 0.000 0.214 209 A C 1.377 178.974 177.584 0.021 0.000 1.160 209 A CA 0.675 52.728 52.037 0.027 0.000 0.725 209 A CB -0.828 18.175 19.000 0.006 0.000 0.784 209 A HN 0.705 nan 8.150 nan 0.000 0.472 213 L N 0.201 121.532 121.223 0.180 0.000 2.012 213 L HA -0.263 4.191 4.340 0.191 0.000 0.210 213 L C 2.547 179.475 176.870 0.096 0.000 1.073 213 L CA 2.171 57.066 54.840 0.091 0.000 0.748 213 L CB -0.487 41.570 42.059 -0.004 0.000 0.891 213 L HN 0.339 nan 8.230 nan 0.000 0.431 214 S N -0.640 115.114 115.700 0.090 0.000 2.345 214 S HA -0.109 4.475 4.470 0.191 0.000 0.220 214 S C 1.775 176.513 174.600 0.229 0.000 1.031 214 S CA 1.597 59.866 58.200 0.115 0.000 0.996 214 S CB -0.338 62.912 63.200 0.082 0.000 0.882 214 S HN 0.650 nan 8.310 nan 0.000 0.445 215 G N -0.042 108.848 108.800 0.151 0.000 2.245 215 G HA2 -0.272 3.803 3.960 0.191 0.000 0.264 215 G HA3 -0.272 3.803 3.960 0.191 0.000 0.264 215 G C 0.422 175.238 174.900 -0.141 0.000 0.985 215 G CA 0.987 46.127 45.100 0.065 0.000 0.625 215 G HN 0.722 nan 8.290 nan 0.000 0.536 216 H N -0.663 118.428 119.070 0.035 0.000 2.785 216 H HA 0.461 5.136 4.556 0.199 0.000 0.268 216 H C 1.855 177.191 175.328 0.014 0.000 1.153 216 H CA 0.284 56.346 56.048 0.023 0.000 1.111 216 H CB 0.496 30.265 29.762 0.012 0.000 1.633 216 H HN 1.138 nan 8.280 nan 0.000 0.576 217 G N 1.867 110.722 108.800 0.092 0.000 2.233 217 G HA2 -0.367 3.708 3.960 0.191 0.000 0.270 217 G HA3 -0.367 3.708 3.960 0.191 0.000 0.270 217 G C 0.605 175.541 174.900 0.060 0.000 1.011 217 G CA 1.047 46.180 45.100 0.055 0.000 0.762 217 G HN 0.620 nan 8.290 nan 0.000 0.511 218 D N -0.742 119.703 120.400 0.074 0.000 2.398 218 D HA 0.262 5.017 4.640 0.191 0.000 0.210 218 D C 1.151 177.484 176.300 0.055 0.000 1.094 218 D CA 0.520 54.555 54.000 0.060 0.000 0.839 218 D CB -0.071 40.764 40.800 0.058 0.000 0.963 218 D HN 0.921 nan 8.370 nan 0.000 0.506 219 I N -3.876 116.723 120.570 0.049 0.000 3.095 219 I HA 0.647 4.932 4.170 0.191 0.000 0.310 219 I C -1.290 174.848 176.117 0.034 0.000 1.196 219 I CA -0.933 60.393 61.300 0.044 0.000 0.985 219 I CB 2.609 40.630 38.000 0.036 0.000 1.250 219 I HN -0.377 nan 8.210 nan 0.000 0.446 220 T N 2.737 117.309 114.554 0.031 0.000 2.807 220 T HA 0.875 5.340 4.350 0.191 0.000 0.279 220 T C -0.524 174.186 174.700 0.017 0.000 0.993 220 T CA -0.479 61.633 62.100 0.021 0.000 0.970 220 T CB 1.525 70.406 68.868 0.021 0.000 0.950 220 T HN 1.003 nan 8.240 nan 0.000 0.441 221 A N 1.839 124.665 122.820 0.009 0.000 2.597 221 A HA 0.882 5.316 4.320 0.191 0.000 0.292 221 A C -0.612 176.975 177.584 0.005 0.000 1.057 221 A CA -0.682 51.360 52.037 0.008 0.000 0.674 221 A CB 1.298 20.303 19.000 0.009 0.000 1.278 221 A HN 1.090 nan 8.150 nan 0.000 0.416 222 G N 0.027 108.831 108.800 0.006 0.000 2.563 222 G HA2 0.674 4.749 3.960 0.191 0.000 0.302 222 G HA3 0.674 4.749 3.960 0.191 0.000 0.302 222 G C -1.272 173.645 174.900 0.028 0.000 1.301 222 G CA -0.504 44.604 45.100 0.013 0.000 0.965 222 G HN 0.612 nan 8.290 nan 0.000 0.480 223 I N 0.445 121.051 120.570 0.060 0.000 2.769 223 I HA 0.493 4.778 4.170 0.191 0.000 0.298 223 I C -0.755 175.414 176.117 0.087 0.000 1.128 223 I CA -0.885 60.457 61.300 0.070 0.000 1.031 223 I CB 1.980 40.026 38.000 0.077 0.000 1.235 223 I HN 0.196 nan 8.210 nan 0.000 0.423 224 V N 5.629 125.578 119.914 0.059 0.000 2.638 224 V HA 0.612 4.846 4.120 0.191 0.000 0.306 224 V C -0.426 175.695 176.094 0.045 0.000 1.052 224 V CA -0.667 61.659 62.300 0.044 0.000 0.885 224 V CB 2.735 34.571 31.823 0.023 0.000 0.999 224 V HN 0.456 nan 8.190 nan 0.000 0.424 225 V N 3.192 123.132 119.914 0.044 0.000 2.709 225 V HA 1.040 5.275 4.120 0.191 0.000 0.308 225 V C 0.428 176.532 176.094 0.016 0.000 1.062 225 V CA 0.386 62.708 62.300 0.036 0.000 0.901 225 V CB 1.627 33.483 31.823 0.055 0.000 1.003 225 V HN 1.158 nan 8.190 nan 0.000 0.425 226 G N 2.214 111.021 108.800 0.012 0.000 2.435 226 G HA2 0.493 4.568 3.960 0.191 0.000 0.296 226 G HA3 0.493 4.568 3.960 0.191 0.000 0.296 226 G C -0.483 174.422 174.900 0.007 0.000 1.240 226 G CA 0.104 45.208 45.100 0.007 0.000 0.872 226 G HN 0.987 nan 8.290 nan 0.000 0.480 227 S N -0.452 115.252 115.700 0.007 0.000 2.584 227 S HA 0.259 4.844 4.470 0.191 0.000 0.270 227 S C 1.258 175.862 174.600 0.006 0.000 1.346 227 S CA 0.644 58.848 58.200 0.007 0.000 1.018 227 S CB 1.721 64.926 63.200 0.007 0.000 0.899 227 S HN 0.775 nan 8.310 nan 0.000 0.542 228 Q N 1.879 121.682 119.800 0.005 0.000 2.135 228 Q HA -0.062 4.393 4.340 0.191 0.000 0.204 228 Q C 2.205 178.207 176.000 0.003 0.000 0.981 228 Q CA 2.200 58.005 55.803 0.003 0.000 0.856 228 Q CB -1.066 27.673 28.738 0.001 0.000 0.902 228 Q HN 0.949 nan 8.270 nan 0.000 0.425 229 A N 0.010 122.833 122.820 0.005 0.000 1.865 229 A HA -0.177 4.257 4.320 0.191 0.000 0.217 229 A C 2.110 179.699 177.584 0.008 0.000 1.191 229 A CA 1.634 53.674 52.037 0.006 0.000 0.623 229 A CB -0.857 18.147 19.000 0.007 0.000 0.826 229 A HN 0.449 nan 8.150 nan 0.000 0.444 230 L N -0.677 120.552 121.223 0.010 0.000 2.027 230 L HA -0.131 4.324 4.340 0.191 0.000 0.206 230 L C 2.549 179.426 176.870 0.012 0.000 1.074 230 L CA 0.994 55.842 54.840 0.013 0.000 0.745 230 L CB -0.494 41.573 42.059 0.013 0.000 0.898 230 L HN 0.249 nan 8.230 nan 0.000 0.433 231 V N -0.272 119.648 119.914 0.009 0.000 2.407 231 V HA -0.295 3.939 4.120 0.191 0.000 0.248 231 V C 2.087 178.184 176.094 0.005 0.000 1.055 231 V CA 1.821 64.126 62.300 0.008 0.000 1.049 231 V CB -0.559 31.268 31.823 0.007 0.000 0.662 231 V HN 0.424 nan 8.190 nan 0.000 0.455 232 D N -0.037 120.364 120.400 0.002 0.000 2.123 232 D HA -0.152 4.602 4.640 0.191 0.000 0.196 232 D C 2.434 178.735 176.300 0.002 0.000 0.992 232 D CA 1.281 55.280 54.000 -0.002 0.000 0.833 232 D CB -0.233 40.565 40.800 -0.003 0.000 0.954 232 D HN 0.400 nan 8.370 nan 0.000 0.455 233 R N 0.038 120.543 120.500 0.008 0.000 2.073 233 R HA -0.001 4.453 4.340 0.191 0.000 0.234 233 R C 2.564 178.875 176.300 0.017 0.000 1.134 233 R CA 0.730 56.837 56.100 0.012 0.000 0.952 233 R CB -0.256 30.054 30.300 0.017 0.000 0.850 233 R HN 0.237 nan 8.270 nan 0.000 0.433 234 I N 0.346 120.928 120.570 0.020 0.000 2.226 234 I HA -0.282 4.002 4.170 0.191 0.000 0.245 234 I C 2.803 178.931 176.117 0.018 0.000 1.100 234 I CA 1.169 62.485 61.300 0.026 0.000 1.374 234 I CB -0.306 37.710 38.000 0.025 0.000 1.057 234 I HN 0.174 nan 8.210 nan 0.000 0.413 235 R N 1.555 122.061 120.500 0.009 0.000 2.073 235 R HA -0.148 4.306 4.340 0.191 0.000 0.234 235 R C 2.081 178.380 176.300 -0.001 0.000 1.134 235 R CA 1.563 57.664 56.100 0.002 0.000 0.952 235 R CB -0.165 30.132 30.300 -0.006 0.000 0.850 235 R HN 0.337 nan 8.270 nan 0.000 0.433 236 L N -0.226 120.997 121.223 -0.002 0.000 2.591 236 L HA 0.070 4.524 4.340 0.191 0.000 0.228 236 L C 1.685 178.553 176.870 -0.004 0.000 1.133 236 L CA 0.309 55.147 54.840 -0.005 0.000 0.880 236 L CB 0.146 42.201 42.059 -0.006 0.000 1.033 236 L HN 0.295 nan 8.230 nan 0.000 0.450 237 Q N -0.920 118.882 119.800 0.002 0.000 2.380 237 Q HA 0.170 4.625 4.340 0.191 0.000 0.181 237 Q C 2.137 178.138 176.000 0.001 0.000 0.657 237 Q CA 0.529 56.332 55.803 0.000 0.000 0.819 237 Q CB -0.338 28.407 28.738 0.013 0.000 1.184 237 Q HN 0.259 nan 8.270 nan 0.000 0.535 238 G N 1.688 110.508 108.800 0.034 0.000 2.491 238 G HA2 -0.270 3.804 3.960 0.191 0.000 0.218 238 G HA3 -0.270 3.804 3.960 0.191 0.000 0.218 238 G C 1.359 176.276 174.900 0.028 0.000 1.180 238 G CA 1.270 46.408 45.100 0.065 0.000 0.774 238 G HN 0.154 nan 8.290 nan 0.000 0.562 239 L N 0.672 121.906 121.223 0.019 0.000 2.007 239 L HA 0.201 4.655 4.340 0.191 0.000 0.205 239 L C 2.677 179.540 176.870 -0.011 0.000 1.073 239 L CA 2.621 57.464 54.840 0.005 0.000 0.744 239 L CB -0.765 41.297 42.059 0.006 0.000 0.898 239 L HN 0.268 nan 8.230 nan 0.000 0.435 240 K N -1.002 119.391 120.400 -0.011 0.000 2.032 240 K HA -0.197 4.238 4.320 0.191 0.000 0.209 240 K C 1.274 177.855 176.600 -0.031 0.000 1.048 240 K CA 2.129 58.406 56.287 -0.016 0.000 0.927 240 K CB -0.102 32.391 32.500 -0.012 0.000 0.712 240 K HN 0.424 nan 8.250 nan 0.000 0.441 241 D N -0.851 119.522 120.400 -0.045 0.000 2.380 241 D HA 0.067 4.821 4.640 0.191 0.000 0.212 241 D C 1.494 177.719 176.300 -0.124 0.000 1.021 241 D CA 0.765 54.721 54.000 -0.072 0.000 0.884 241 D CB 0.384 41.142 40.800 -0.070 0.000 1.001 241 D HN 0.264 nan 8.370 nan 0.000 0.506 242 M N -0.496 119.018 119.600 -0.145 0.000 2.331 242 M HA 0.084 4.679 4.480 0.191 0.000 0.266 242 M C 1.230 177.399 176.300 -0.219 0.000 1.055 242 M CA 0.528 55.666 55.300 -0.271 0.000 1.048 242 M CB 1.051 33.387 32.600 -0.440 0.000 1.460 242 M HN -0.009 nan 8.290 nan 0.000 0.519 243 T N -5.150 109.350 114.554 -0.090 0.000 3.105 243 T HA 0.282 4.746 4.350 0.191 0.000 0.257 243 T C 1.497 176.180 174.700 -0.029 0.000 0.949 243 T CA 0.727 62.803 62.100 -0.039 0.000 0.959 243 T CB 0.261 69.139 68.868 0.017 0.000 1.205 243 T HN 0.359 nan 8.240 nan 0.000 0.496 244 G N 2.134 110.919 108.800 -0.025 0.000 2.203 244 G HA2 -0.087 3.988 3.960 0.191 0.000 0.263 244 G HA3 -0.087 3.988 3.960 0.191 0.000 0.263 244 G C 0.443 175.339 174.900 -0.005 0.000 1.012 244 G CA 0.119 45.210 45.100 -0.015 0.000 0.749 244 G HN 1.449 nan 8.290 nan 0.000 0.512 245 A N 0.101 122.918 122.820 -0.004 0.000 3.063 245 A HA 0.592 5.026 4.320 0.191 0.000 0.263 245 A C 1.072 178.658 177.584 0.003 0.000 1.736 245 A CA 0.440 52.476 52.037 -0.002 0.000 1.408 245 A CB -0.516 18.479 19.000 -0.008 0.000 1.108 245 A HN 1.834 nan 8.150 nan 0.000 0.621 246 V N -0.413 119.505 119.914 0.008 0.000 2.732 246 V HA 0.619 4.854 4.120 0.191 0.000 0.297 246 V C 0.051 176.156 176.094 0.019 0.000 1.060 246 V CA -1.003 61.306 62.300 0.015 0.000 1.038 246 V CB 1.039 32.874 31.823 0.020 0.000 1.003 246 V HN 0.481 nan 8.190 nan 0.000 0.481 247 L N 3.795 125.032 121.223 0.022 0.000 2.307 247 L HA 0.568 5.022 4.340 0.191 0.000 0.282 247 L C 0.606 177.500 176.870 0.040 0.000 1.051 247 L CA 0.446 55.302 54.840 0.027 0.000 0.804 247 L CB 1.503 43.575 42.059 0.021 0.000 1.197 247 L HN 1.044 nan 8.230 nan 0.000 0.431 248 S N 5.349 121.079 115.700 0.049 0.000 2.549 248 S HA 0.266 4.850 4.470 0.191 0.000 0.283 248 S C -1.675 172.973 174.600 0.079 0.000 1.320 248 S CA -0.743 57.498 58.200 0.068 0.000 1.058 248 S CB 0.791 64.040 63.200 0.081 0.000 0.882 248 S HN 0.652 nan 8.310 nan 0.000 0.498 249 P HA -0.145 nan 4.420 nan 0.000 0.218 249 P C 1.387 178.732 177.300 0.075 0.000 1.148 249 P CA 0.997 64.150 63.100 0.088 0.000 0.822 249 P CB -0.077 31.696 31.700 0.122 0.000 0.784 250 H N 0.187 119.262 119.070 0.008 0.000 2.321 250 H HA -0.131 4.409 4.556 -0.026 0.000 0.300 250 H C 1.124 176.444 175.328 -0.013 0.000 1.087 250 H CA 1.863 57.906 56.048 -0.008 0.000 1.319 250 H CB -0.342 29.414 29.762 -0.010 0.000 1.379 250 H HN 0.008 nan 8.280 nan 0.000 0.501 251 D N 0.496 120.949 120.400 0.088 0.000 2.144 251 D HA -0.039 4.716 4.640 0.191 0.000 0.200 251 D C 2.290 178.565 176.300 -0.042 0.000 0.978 251 D CA 1.164 55.177 54.000 0.023 0.000 0.833 251 D CB -0.459 40.387 40.800 0.077 0.000 0.961 251 D HN 0.481 nan 8.370 nan 0.000 0.470 252 A N 0.975 123.781 122.820 -0.022 0.000 1.933 252 A HA -0.046 4.389 4.320 0.191 0.000 0.218 252 A C 2.287 179.827 177.584 -0.074 0.000 1.175 252 A CA 2.080 54.097 52.037 -0.033 0.000 0.628 252 A CB -0.657 18.338 19.000 -0.010 0.000 0.814 252 A HN 0.230 nan 8.150 nan 0.000 0.444 253 A N -0.458 122.298 122.820 -0.106 0.000 1.930 253 A HA 0.013 4.448 4.320 0.191 0.000 0.217 253 A C 2.157 179.638 177.584 -0.172 0.000 1.175 253 A CA 1.377 53.328 52.037 -0.144 0.000 0.627 253 A CB -0.516 18.387 19.000 -0.162 0.000 0.815 253 A HN 0.462 nan 8.150 nan 0.000 0.443 254 L N -1.031 120.066 121.223 -0.210 0.000 2.093 254 L HA -0.138 4.316 4.340 0.191 0.000 0.208 254 L C 2.517 179.315 176.870 -0.120 0.000 1.085 254 L CA 0.929 55.654 54.840 -0.191 0.000 0.755 254 L CB -0.369 41.568 42.059 -0.204 0.000 0.904 254 L HN 0.475 nan 8.230 nan 0.000 0.435 255 L N -0.361 120.812 121.223 -0.085 0.000 2.046 255 L HA -0.214 4.241 4.340 0.191 0.000 0.208 255 L C 2.405 179.241 176.870 -0.056 0.000 1.077 255 L CA 1.821 56.633 54.840 -0.047 0.000 0.747 255 L CB -0.388 41.651 42.059 -0.033 0.000 0.896 255 L HN 0.177 nan 8.230 nan 0.000 0.432 256 M N -1.140 118.412 119.600 -0.080 0.000 2.159 256 M HA -0.207 4.388 4.480 0.191 0.000 0.263 256 M C 2.440 178.682 176.300 -0.097 0.000 1.063 256 M CA 1.550 56.797 55.300 -0.089 0.000 1.110 256 M CB -0.381 32.153 32.600 -0.110 0.000 1.374 256 M HN 0.269 nan 8.290 nan 0.000 0.411 257 R N 0.357 120.788 120.500 -0.116 0.000 2.081 257 R HA -0.125 4.330 4.340 0.191 0.000 0.235 257 R C 2.219 178.461 176.300 -0.095 0.000 1.131 257 R CA 1.740 57.764 56.100 -0.127 0.000 0.960 257 R CB -0.497 29.704 30.300 -0.166 0.000 0.856 257 R HN 0.441 nan 8.270 nan 0.000 0.436 258 G N 0.911 109.670 108.800 -0.068 0.000 2.418 258 G HA2 -0.222 3.852 3.960 0.191 0.000 0.217 258 G HA3 -0.222 3.852 3.960 0.191 0.000 0.217 258 G C 1.452 176.390 174.900 0.064 0.000 1.158 258 G CA 0.750 45.877 45.100 0.046 0.000 0.771 258 G HN 0.285 nan 8.290 nan 0.000 0.545 259 I N 0.441 121.019 120.570 0.013 0.000 2.454 259 I HA -0.153 4.131 4.170 0.191 0.000 0.254 259 I C 2.568 178.680 176.117 -0.007 0.000 1.156 259 I CA 0.946 62.250 61.300 0.006 0.000 1.433 259 I CB -0.063 37.917 38.000 -0.032 0.000 1.082 259 I HN 0.131 nan 8.210 nan 0.000 0.432 260 K N 0.162 120.544 120.400 -0.030 0.000 2.360 260 K HA -0.120 4.315 4.320 0.191 0.000 0.201 260 K C 1.476 178.067 176.600 -0.015 0.000 1.046 260 K CA 1.741 58.002 56.287 -0.043 0.000 0.945 260 K CB -0.196 32.260 32.500 -0.072 0.000 0.750 260 K HN 0.479 nan 8.250 nan 0.000 0.464 261 T N -2.110 112.452 114.554 0.013 0.000 3.132 261 T HA 0.123 4.587 4.350 0.191 0.000 0.274 261 T C 1.334 176.028 174.700 -0.009 0.000 1.011 261 T CA -0.417 61.689 62.100 0.011 0.000 0.899 261 T CB 0.120 69.015 68.868 0.044 0.000 1.089 261 T HN -0.049 nan 8.240 nan 0.000 0.543 262 L N 3.644 124.870 121.223 0.004 0.000 1.990 262 L HA -0.190 4.265 4.340 0.191 0.000 0.213 262 L C 2.381 179.106 176.870 -0.242 0.000 1.072 262 L CA 2.480 57.306 54.840 -0.023 0.000 0.755 262 L CB -0.793 41.309 42.059 0.072 0.000 0.889 262 L HN 0.505 nan 8.230 nan 0.000 0.432 263 N N -0.030 118.439 118.700 -0.386 0.000 2.104 263 N HA -0.253 4.601 4.740 0.191 0.000 0.190 263 N C 1.889 177.107 175.510 -0.488 0.000 1.024 263 N CA 2.416 54.897 53.050 -0.949 0.000 0.853 263 N CB -0.979 37.131 38.487 -0.629 0.000 1.008 263 N HN 0.521 nan 8.380 nan 0.000 0.424 264 L N 0.150 121.243 121.223 -0.216 0.000 2.056 264 L HA -0.010 4.444 4.340 0.191 0.000 0.207 264 L C 2.903 179.706 176.870 -0.110 0.000 1.078 264 L CA 1.071 55.841 54.840 -0.116 0.000 0.749 264 L CB -0.371 41.650 42.059 -0.065 0.000 0.901 264 L HN 0.120 nan 8.230 nan 0.000 0.433 265 R N -0.612 119.824 120.500 -0.106 0.000 2.066 265 R HA -0.090 4.365 4.340 0.191 0.000 0.232 265 R C 2.351 178.625 176.300 -0.043 0.000 1.131 265 R CA 1.109 57.141 56.100 -0.114 0.000 0.955 265 R CB -0.248 30.035 30.300 -0.029 0.000 0.851 265 R HN 0.226 nan 8.270 nan 0.000 0.432 266 M N 0.955 120.560 119.600 0.009 0.000 2.159 266 M HA -0.147 4.448 4.480 0.191 0.000 0.263 266 M C 1.364 177.722 176.300 0.096 0.000 1.063 266 M CA 1.541 56.891 55.300 0.082 0.000 1.110 266 M CB -0.843 31.778 32.600 0.035 0.000 1.374 266 M HN 0.015 nan 8.290 nan 0.000 0.411 267 D N -0.258 120.172 120.400 0.051 0.000 2.123 267 D HA -0.169 4.585 4.640 0.191 0.000 0.196 267 D C 2.168 178.489 176.300 0.034 0.000 0.992 267 D CA 1.185 55.229 54.000 0.073 0.000 0.833 267 D CB -0.229 40.601 40.800 0.050 0.000 0.954 267 D HN 0.157 nan 8.370 nan 0.000 0.455 268 R N -0.051 120.434 120.500 -0.026 0.000 2.090 268 R HA -0.029 4.426 4.340 0.191 0.000 0.228 268 R C 1.991 178.277 176.300 -0.022 0.000 1.110 268 R CA 1.401 57.466 56.100 -0.058 0.000 0.973 268 R CB -0.731 29.487 30.300 -0.137 0.000 0.869 268 R HN 0.360 nan 8.270 nan 0.000 0.440 269 H N -1.446 117.647 119.070 0.038 0.000 2.319 269 H HA -0.144 4.526 4.556 0.189 0.000 0.299 269 H C 2.072 177.442 175.328 0.070 0.000 1.092 269 H CA 1.923 58.016 56.048 0.074 0.000 1.302 269 H CB -0.093 29.736 29.762 0.111 0.000 1.373 269 H HN 0.209 nan 8.280 nan 0.000 0.497 270 C N 0.299 119.706 119.300 0.179 0.000 2.432 270 C HA -0.131 4.443 4.460 0.191 0.000 0.277 270 C C 3.092 178.138 174.990 0.094 0.000 1.249 270 C CA 0.897 59.984 59.018 0.115 0.000 1.725 270 C CB -1.069 26.718 27.740 0.079 0.000 2.028 270 C HN 0.693 nan 8.230 nan 0.000 0.477 271 A N 0.949 123.813 122.820 0.073 0.000 1.877 271 A HA -0.220 4.214 4.320 0.191 0.000 0.216 271 A C 1.902 179.524 177.584 0.063 0.000 1.186 271 A CA 2.032 54.102 52.037 0.055 0.000 0.620 271 A CB -0.900 18.121 19.000 0.034 0.000 0.822 271 A HN 0.784 nan 8.150 nan 0.000 0.443 272 N N -0.101 118.641 118.700 0.070 0.000 2.120 272 N HA -0.100 4.755 4.740 0.191 0.000 0.188 272 N C 1.989 177.568 175.510 0.114 0.000 1.024 272 N CA 0.988 54.085 53.050 0.078 0.000 0.852 272 N CB -0.232 38.301 38.487 0.076 0.000 1.003 272 N HN 0.499 nan 8.380 nan 0.000 0.424 273 A N 0.899 123.805 122.820 0.143 0.000 1.933 273 A HA -0.218 4.217 4.320 0.191 0.000 0.218 273 A C 2.141 179.801 177.584 0.127 0.000 1.175 273 A CA 1.361 53.494 52.037 0.160 0.000 0.628 273 A CB -0.557 18.550 19.000 0.179 0.000 0.814 273 A HN 0.232 nan 8.150 nan 0.000 0.444 274 Q N -0.024 119.837 119.800 0.102 0.000 2.084 274 Q HA -0.104 4.351 4.340 0.191 0.000 0.202 274 Q C 1.839 177.887 176.000 0.079 0.000 0.978 274 Q CA 2.253 58.105 55.803 0.082 0.000 0.844 274 Q CB -0.588 28.189 28.738 0.065 0.000 0.898 274 Q HN 0.327 nan 8.270 nan 0.000 0.426 275 V N 0.415 120.375 119.914 0.076 0.000 2.343 275 V HA -0.202 4.033 4.120 0.191 0.000 0.247 275 V C 2.196 178.352 176.094 0.104 0.000 1.051 275 V CA 1.538 63.882 62.300 0.074 0.000 1.036 275 V CB -0.626 31.227 31.823 0.049 0.000 0.654 275 V HN 0.385 nan 8.190 nan 0.000 0.451 276 L N 0.644 121.935 121.223 0.113 0.000 2.109 276 L HA 0.024 4.479 4.340 0.191 0.000 0.207 276 L C 2.432 179.386 176.870 0.141 0.000 1.086 276 L CA 2.129 57.057 54.840 0.147 0.000 0.760 276 L CB -0.941 41.217 42.059 0.165 0.000 0.910 276 L HN 0.224 nan 8.230 nan 0.000 0.437 277 A N -0.821 122.059 122.820 0.100 0.000 1.902 277 A HA -0.210 4.225 4.320 0.191 0.000 0.217 277 A C 2.158 179.760 177.584 0.030 0.000 1.181 277 A CA 1.741 53.809 52.037 0.052 0.000 0.623 277 A CB -0.538 18.503 19.000 0.068 0.000 0.818 277 A HN 0.576 nan 8.150 nan 0.000 0.443 278 E N -1.457 118.780 120.200 0.062 0.000 2.106 278 E HA -0.150 4.315 4.350 0.191 0.000 0.192 278 E C 1.739 178.369 176.600 0.050 0.000 0.984 278 E CA 1.189 57.617 56.400 0.046 0.000 0.806 278 E CB -0.253 29.483 29.700 0.060 0.000 0.750 278 E HN 0.714 nan 8.360 nan 0.000 0.458 279 F N 1.492 121.415 119.950 -0.046 0.000 2.084 279 F HA -0.145 4.496 4.527 0.191 0.000 0.296 279 F C 1.904 177.641 175.800 -0.105 0.000 1.111 279 F CA 1.239 59.204 58.000 -0.058 0.000 1.224 279 F CB -0.228 38.746 39.000 -0.044 0.000 0.991 279 F HN -0.107 nan 8.300 nan 0.000 0.471 280 L N 0.206 121.310 121.223 -0.198 0.000 2.079 280 L HA -0.215 4.240 4.340 0.191 0.000 0.210 280 L C 2.725 179.377 176.870 -0.363 0.000 1.081 280 L CA 1.196 55.788 54.840 -0.413 0.000 0.752 280 L CB -1.116 40.682 42.059 -0.436 0.000 0.896 280 L HN 0.285 nan 8.230 nan 0.000 0.433 281 A N -0.158 122.527 122.820 -0.225 0.000 2.070 281 A HA -0.141 4.294 4.320 0.191 0.000 0.220 281 A C 2.185 179.661 177.584 -0.181 0.000 1.159 281 A CA 1.184 53.121 52.037 -0.166 0.000 0.656 281 A CB -0.361 18.582 19.000 -0.095 0.000 0.800 281 A HN 0.399 nan 8.150 nan 0.000 0.453 282 R N -0.668 119.686 120.500 -0.245 0.000 2.362 282 R HA 0.120 4.574 4.340 0.191 0.000 0.227 282 R C -0.381 175.748 176.300 -0.285 0.000 0.905 282 R CA -0.114 55.852 56.100 -0.224 0.000 1.067 282 R CB 0.259 30.447 30.300 -0.186 0.000 1.078 282 R HN 0.414 nan 8.270 nan 0.000 0.516 283 Q N 1.188 120.764 119.800 -0.372 0.000 2.261 283 Q HA 0.148 4.603 4.340 0.191 0.000 0.252 283 Q C -1.643 174.234 176.000 -0.204 0.000 0.915 283 Q CA -2.285 53.312 55.803 -0.343 0.000 0.915 283 Q CB 1.129 29.592 28.738 -0.457 0.000 1.204 283 Q HN -0.028 nan 8.270 nan 0.000 0.421 284 P HA -0.139 nan 4.420 nan 0.000 0.221 284 P C 0.306 177.559 177.300 -0.078 0.000 1.150 284 P CA 1.124 64.167 63.100 -0.094 0.000 0.800 284 P CB 0.617 32.276 31.700 -0.069 0.000 0.787 285 Q N -0.440 119.310 119.800 -0.084 0.000 2.435 285 Q HA 0.062 4.516 4.340 0.191 0.000 0.207 285 Q C 0.589 176.556 176.000 -0.055 0.000 0.956 285 Q CA 0.447 56.217 55.803 -0.056 0.000 0.917 285 Q CB -0.266 28.450 28.738 -0.036 0.000 0.997 285 Q HN 0.132 nan 8.270 nan 0.000 0.497 286 V N 1.226 121.086 119.914 -0.089 0.000 2.407 286 V HA 0.083 4.318 4.120 0.191 0.000 0.278 286 V C 0.949 177.011 176.094 -0.053 0.000 1.037 286 V CA -0.339 61.927 62.300 -0.056 0.000 0.900 286 V CB 1.570 33.302 31.823 -0.153 0.000 0.983 286 V HN 0.095 nan 8.190 nan 0.000 0.459 287 E N 4.928 125.114 120.200 -0.024 0.000 2.076 287 E HA 0.069 4.533 4.350 0.191 0.000 0.190 287 E C 0.272 176.828 176.600 -0.072 0.000 0.979 287 E CA 1.171 57.543 56.400 -0.047 0.000 0.807 287 E CB 0.197 29.873 29.700 -0.040 0.000 0.761 287 E HN 0.683 nan 8.360 nan 0.000 0.454 288 L N -3.555 117.620 121.223 -0.080 0.000 2.947 288 L HA 0.410 4.864 4.340 0.191 0.000 0.267 288 L C -1.295 175.498 176.870 -0.128 0.000 1.004 288 L CA -1.156 53.608 54.840 -0.127 0.000 0.937 288 L CB 1.040 42.989 42.059 -0.183 0.000 1.496 288 L HN -0.316 nan 8.230 nan 0.000 0.409 289 I N 1.497 121.991 120.570 -0.126 0.000 2.328 289 I HA 0.281 4.565 4.170 0.191 0.000 0.287 289 I C 0.690 176.732 176.117 -0.125 0.000 1.012 289 I CA -0.172 61.086 61.300 -0.069 0.000 1.195 289 I CB 0.859 38.836 38.000 -0.037 0.000 1.350 289 I HN 0.749 nan 8.210 nan 0.000 0.464 290 H N 6.175 125.178 119.070 -0.113 0.000 2.389 290 H HA -0.066 4.605 4.556 0.191 0.000 0.299 290 H C -0.625 174.700 175.328 -0.005 0.000 1.081 290 H CA 1.853 57.840 56.048 -0.100 0.000 1.345 290 H CB 0.016 29.666 29.762 -0.187 0.000 1.393 290 H HN 0.637 nan 8.280 nan 0.000 0.520 291 Y N -4.806 115.556 120.300 0.102 0.000 2.638 291 Y HA 0.401 5.065 4.550 0.190 0.000 0.334 291 Y C -3.384 172.549 175.900 0.055 0.000 1.182 291 Y CA -3.234 54.883 58.100 0.029 0.000 1.102 291 Y CB 0.284 38.728 38.460 -0.027 0.000 1.343 291 Y HN -0.243 nan 8.280 nan 0.000 0.463 292 P HA 0.347 nan 4.420 nan 0.000 0.275 292 P C -0.230 177.144 177.300 0.124 0.000 1.266 292 P CA 0.030 63.254 63.100 0.206 0.000 0.793 292 P CB 1.105 32.893 31.700 0.146 0.000 1.074 293 G N 1.220 110.075 108.800 0.091 0.000 2.873 293 G HA2 0.517 4.591 3.960 0.191 0.000 0.340 293 G HA3 0.517 4.591 3.960 0.191 0.000 0.340 293 G C 0.140 175.073 174.900 0.054 0.000 1.171 293 G CA -0.525 44.616 45.100 0.068 0.000 1.113 293 G HN 0.674 nan 8.290 nan 0.000 0.471 294 L N 0.008 121.257 121.223 0.043 0.000 3.533 294 L HA -0.169 4.285 4.340 0.191 0.000 0.330 294 L C 1.272 178.164 176.870 0.037 0.000 1.150 294 L CA 1.193 56.054 54.840 0.035 0.000 1.275 294 L CB -1.340 40.736 42.059 0.027 0.000 1.288 294 L HN 0.982 nan 8.230 nan 0.000 0.535 295 A N -0.109 122.729 122.820 0.030 0.000 3.051 295 A HA 0.723 5.158 4.320 0.191 0.000 0.187 295 A C 0.963 178.561 177.584 0.023 0.000 1.690 295 A CA 2.100 54.153 52.037 0.027 0.000 0.677 295 A CB -0.973 18.040 19.000 0.022 0.000 1.164 295 A HN 2.335 nan 8.150 nan 0.000 0.473 307 M N 1.489 121.150 119.600 0.101 0.000 2.163 307 M HA 0.332 4.926 4.480 0.191 0.000 0.305 307 M C 0.278 176.602 176.300 0.040 0.000 1.166 307 M CA 0.113 55.448 55.300 0.058 0.000 1.132 307 M CB 1.073 33.700 32.600 0.046 0.000 1.413 307 M HN 0.289 nan 8.290 nan 0.000 0.478 308 S N 1.771 117.484 115.700 0.021 0.000 3.644 308 S HA -0.096 4.489 4.470 0.191 0.000 0.584 308 S C -0.408 174.194 174.600 0.004 0.000 0.658 308 S CA -0.345 57.857 58.200 0.004 0.000 1.414 308 S CB -0.477 62.725 63.200 0.003 0.000 0.901 308 S HN 0.667 nan 8.310 nan 0.000 0.867 309 Q N 3.650 123.454 119.800 0.008 0.000 2.308 309 Q HA 0.067 4.522 4.340 0.191 0.000 0.313 309 Q C -2.045 173.956 176.000 0.002 0.000 1.075 309 Q CA -0.694 55.120 55.803 0.020 0.000 0.995 309 Q CB -0.104 28.653 28.738 0.032 0.000 1.107 309 Q HN 0.484 nan 8.270 nan 0.000 0.380 310 P HA 0.065 nan 4.420 nan 0.000 0.232 310 P C 0.655 177.960 177.300 0.007 0.000 1.738 310 P CA 0.659 63.735 63.100 -0.040 0.000 0.948 310 P CB -0.077 31.516 31.700 -0.179 0.000 1.943 311 G N 1.545 110.333 108.800 -0.020 0.000 2.583 311 G HA2 -0.261 3.813 3.960 0.191 0.000 0.292 311 G HA3 -0.261 3.813 3.960 0.191 0.000 0.292 311 G C 0.897 175.834 174.900 0.063 0.000 1.203 311 G CA -0.050 45.003 45.100 -0.078 0.000 0.987 311 G HN 0.467 nan 8.290 nan 0.000 0.554 312 G N -0.337 108.553 108.800 0.151 0.000 3.523 312 G HA2 0.523 4.597 3.960 0.191 0.000 0.270 312 G HA3 0.523 4.597 3.960 0.191 0.000 0.270 312 G C 0.513 175.560 174.900 0.245 0.000 1.134 312 G CA 0.331 45.569 45.100 0.231 0.000 0.825 312 G HN 0.535 nan 8.290 nan 0.000 0.534 313 M N 0.951 120.692 119.600 0.234 0.000 2.216 313 M HA 0.511 5.106 4.480 0.191 0.000 0.356 313 M C -0.559 175.967 176.300 0.377 0.000 1.205 313 M CA 0.184 55.645 55.300 0.270 0.000 1.122 313 M CB 1.764 34.470 32.600 0.175 0.000 1.571 313 M HN -0.101 nan 8.290 nan 0.000 0.464 314 I N 1.663 122.431 120.570 0.330 0.000 2.686 314 I HA 0.753 5.037 4.170 0.191 0.000 0.295 314 I C -0.903 175.138 176.117 -0.126 0.000 1.114 314 I CA -0.834 60.560 61.300 0.156 0.000 1.038 314 I CB 2.356 40.463 38.000 0.178 0.000 1.238 314 I HN 0.749 nan 8.210 nan 0.000 0.420 315 A N 5.476 127.938 122.820 -0.596 0.000 2.398 315 A HA 0.900 5.335 4.320 0.191 0.000 0.301 315 A C -1.218 176.297 177.584 -0.116 0.000 1.041 315 A CA -0.378 51.328 52.037 -0.552 0.000 0.711 315 A CB 1.191 19.526 19.000 -1.108 0.000 1.240 315 A HN 0.637 nan 8.150 nan 0.000 0.420 316 F N -0.197 119.683 119.950 -0.117 0.000 2.664 316 F HA 0.910 5.551 4.527 0.190 0.000 0.317 316 F C -0.649 175.175 175.800 0.040 0.000 1.108 316 F CA -1.123 56.875 58.000 -0.003 0.000 0.957 316 F CB 1.361 40.284 39.000 -0.128 0.000 1.365 316 F HN 0.474 nan 8.300 nan 0.000 0.475 317 E N 1.374 121.662 120.200 0.147 0.000 2.171 317 E HA 0.538 5.002 4.350 0.191 0.000 0.271 317 E C -1.715 174.906 176.600 0.036 0.000 0.916 317 E CA -0.481 55.937 56.400 0.031 0.000 0.774 317 E CB 1.531 31.280 29.700 0.082 0.000 1.128 317 E HN 0.783 nan 8.360 nan 0.000 0.403 318 L N 5.451 126.631 121.223 -0.072 0.000 2.292 318 L HA 0.321 4.775 4.340 0.191 0.000 0.284 318 L C 1.307 178.158 176.870 -0.031 0.000 1.065 318 L CA -0.382 54.432 54.840 -0.043 0.000 0.806 318 L CB 1.058 43.035 42.059 -0.137 0.000 1.175 318 L HN 0.667 nan 8.230 nan 0.000 0.431 319 K N 2.580 122.967 120.400 -0.021 0.000 2.103 319 K HA -0.127 4.308 4.320 0.191 0.000 0.207 319 K C 1.692 178.281 176.600 -0.017 0.000 1.048 319 K CA 1.442 57.717 56.287 -0.020 0.000 0.930 319 K CB -0.151 32.336 32.500 -0.022 0.000 0.716 319 K HN 0.908 nan 8.250 nan 0.000 0.444 320 G N 0.760 109.548 108.800 -0.020 0.000 2.882 320 G HA2 0.157 4.232 3.960 0.191 0.000 0.206 320 G HA3 0.157 4.232 3.960 0.191 0.000 0.206 320 G C 0.721 175.615 174.900 -0.009 0.000 1.155 320 G CA 0.350 45.442 45.100 -0.014 0.000 0.800 320 G HN 0.488 nan 8.290 nan 0.000 0.524 321 G N 0.297 109.092 108.800 -0.007 0.000 2.564 321 G HA2 -0.362 3.713 3.960 0.191 0.000 0.273 321 G HA3 -0.362 3.713 3.960 0.191 0.000 0.273 321 G C 1.126 176.060 174.900 0.057 0.000 1.242 321 G CA 0.152 45.265 45.100 0.022 0.000 0.951 321 G HN 0.579 nan 8.290 nan 0.000 0.564 322 I N 1.230 121.865 120.570 0.108 0.000 2.264 322 I HA -0.046 4.238 4.170 0.191 0.000 0.248 322 I C 2.751 178.939 176.117 0.118 0.000 1.111 322 I CA 2.731 64.156 61.300 0.208 0.000 1.382 322 I CB -0.620 37.466 38.000 0.143 0.000 1.060 322 I HN 0.707 nan 8.210 nan 0.000 0.418 323 G N -0.112 108.717 108.800 0.049 0.000 2.404 323 G HA2 -0.241 3.833 3.960 0.191 0.000 0.215 323 G HA3 -0.241 3.833 3.960 0.191 0.000 0.215 323 G C 1.737 176.631 174.900 -0.011 0.000 1.174 323 G CA 0.654 45.768 45.100 0.025 0.000 0.780 323 G HN 0.541 nan 8.290 nan 0.000 0.537 324 A N 0.861 123.662 122.820 -0.032 0.000 1.933 324 A HA 0.176 4.610 4.320 0.191 0.000 0.218 324 A C 2.676 180.192 177.584 -0.113 0.000 1.175 324 A CA 2.023 54.034 52.037 -0.043 0.000 0.628 324 A CB -0.989 17.986 19.000 -0.042 0.000 0.814 324 A HN 0.505 nan 8.150 nan 0.000 0.444 325 G N -0.456 108.145 108.800 -0.331 0.000 2.421 325 G HA2 -0.233 3.841 3.960 0.191 0.000 0.216 325 G HA3 -0.233 3.841 3.960 0.191 0.000 0.216 325 G C 1.778 176.409 174.900 -0.448 0.000 1.171 325 G CA 0.890 45.471 45.100 -0.865 0.000 0.775 325 G HN 0.559 nan 8.290 nan 0.000 0.543 326 R N -0.062 120.324 120.500 -0.190 0.000 2.073 326 R HA 0.011 4.465 4.340 0.191 0.000 0.234 326 R C 2.829 179.140 176.300 0.017 0.000 1.134 326 R CA 1.177 57.281 56.100 0.006 0.000 0.952 326 R CB -0.277 30.057 30.300 0.056 0.000 0.850 326 R HN 0.273 nan 8.270 nan 0.000 0.433 327 R N -0.403 120.107 120.500 0.017 0.000 2.092 327 R HA -0.120 4.335 4.340 0.191 0.000 0.231 327 R C 2.143 178.475 176.300 0.053 0.000 1.119 327 R CA 1.297 57.417 56.100 0.032 0.000 0.970 327 R CB -0.372 29.949 30.300 0.035 0.000 0.864 327 R HN 0.180 nan 8.270 nan 0.000 0.440 328 F N 1.471 121.379 119.950 -0.071 0.000 2.075 328 F HA -0.229 4.413 4.527 0.191 0.000 0.297 328 F C 2.204 177.984 175.800 -0.034 0.000 1.113 328 F CA 1.517 59.488 58.000 -0.049 0.000 1.218 328 F CB -0.062 38.897 39.000 -0.067 0.000 0.984 328 F HN -0.133 nan 8.300 nan 0.000 0.472 329 M N 0.426 120.043 119.600 0.028 0.000 2.117 329 M HA -0.234 4.360 4.480 0.191 0.000 0.262 329 M C 1.906 178.161 176.300 -0.076 0.000 1.065 329 M CA 1.710 56.989 55.300 -0.034 0.000 1.114 329 M CB -1.841 30.812 32.600 0.088 0.000 1.361 329 M HN 0.324 nan 8.290 nan 0.000 0.408 330 N N 0.183 118.860 118.700 -0.039 0.000 2.223 330 N HA -0.078 4.777 4.740 0.191 0.000 0.185 330 N C 1.632 177.105 175.510 -0.062 0.000 1.016 330 N CA 1.053 54.085 53.050 -0.030 0.000 0.863 330 N CB -0.041 38.442 38.487 -0.008 0.000 0.983 330 N HN 0.354 nan 8.380 nan 0.000 0.429 331 A N 1.090 123.843 122.820 -0.111 0.000 2.016 331 A HA 0.082 4.516 4.320 0.191 0.000 0.217 331 A C 0.861 178.354 177.584 -0.151 0.000 1.162 331 A CA 0.135 52.099 52.037 -0.121 0.000 0.662 331 A CB -0.283 18.644 19.000 -0.123 0.000 0.812 331 A HN 0.133 nan 8.150 nan 0.000 0.450 332 L N 0.395 121.480 121.223 -0.230 0.000 2.578 332 L HA -0.058 4.396 4.340 0.191 0.000 0.279 332 L C 1.219 178.061 176.870 -0.047 0.000 1.227 332 L CA 0.212 54.949 54.840 -0.170 0.000 0.900 332 L CB 0.337 42.292 42.059 -0.174 0.000 1.144 332 L HN 0.470 nan 8.230 nan 0.000 0.496 333 Q N 2.005 121.802 119.800 -0.005 0.000 2.280 333 Q HA 0.060 4.515 4.340 0.191 0.000 0.244 333 Q C 1.003 177.024 176.000 0.035 0.000 0.847 333 Q CA -0.062 55.748 55.803 0.012 0.000 0.945 333 Q CB 0.673 29.412 28.738 0.002 0.000 1.115 333 Q HN 0.664 nan 8.270 nan 0.000 0.513 334 L N -0.955 120.313 121.223 0.076 0.000 2.519 334 L HA 0.347 4.801 4.340 0.191 0.000 0.194 334 L C -0.026 176.879 176.870 0.058 0.000 1.072 334 L CA 0.652 55.523 54.840 0.052 0.000 0.845 334 L CB 0.223 42.309 42.059 0.044 0.000 1.138 334 L HN -0.093 nan 8.230 nan 0.000 0.487 335 F N 1.029 120.974 119.950 -0.009 0.000 2.563 335 F HA 0.187 4.829 4.527 0.192 0.000 0.363 335 F C 1.066 176.870 175.800 0.008 0.000 1.123 335 F CA 0.441 58.450 58.000 0.015 0.000 1.307 335 F CB 0.380 39.398 39.000 0.029 0.000 1.115 335 F HN -0.074 nan 8.300 nan 0.000 0.592 336 S N 3.287 119.089 115.700 0.170 0.000 2.541 336 S HA 0.438 5.022 4.470 0.191 0.000 0.283 336 S C -0.110 174.574 174.600 0.140 0.000 1.196 336 S CA -0.922 57.346 58.200 0.114 0.000 1.062 336 S CB 1.012 64.250 63.200 0.063 0.000 1.009 336 S HN 0.405 nan 8.310 nan 0.000 0.502 337 R N 2.069 122.630 120.500 0.102 0.000 2.325 337 R HA 0.557 5.012 4.340 0.191 0.000 0.323 337 R C -0.222 176.131 176.300 0.089 0.000 1.177 337 R CA -0.112 56.048 56.100 0.101 0.000 1.018 337 R CB 0.127 30.472 30.300 0.075 0.000 1.070 337 R HN 0.631 nan 8.270 nan 0.000 0.495 338 A N 1.629 124.510 122.820 0.101 0.000 2.610 338 A HA 0.364 4.799 4.320 0.191 0.000 0.291 338 A C -1.437 176.203 177.584 0.093 0.000 1.086 338 A CA -0.654 51.434 52.037 0.085 0.000 0.677 338 A CB 1.970 21.013 19.000 0.071 0.000 1.278 338 A HN 0.353 nan 8.150 nan 0.000 0.414 339 V N 1.563 121.527 119.914 0.084 0.000 2.277 339 V HA 0.712 4.946 4.120 0.191 0.000 0.269 339 V C -0.156 175.999 176.094 0.102 0.000 1.036 339 V CA 1.135 63.493 62.300 0.096 0.000 0.821 339 V CB -0.019 31.858 31.823 0.089 0.000 1.052 339 V HN 1.664 nan 8.190 nan 0.000 0.462 340 S N 5.266 121.025 115.700 0.099 0.000 2.655 340 S HA 0.797 5.381 4.470 0.191 0.000 0.273 340 S C -1.799 172.827 174.600 0.044 0.000 1.177 340 S CA 0.062 58.309 58.200 0.078 0.000 0.918 340 S CB 1.283 64.511 63.200 0.046 0.000 1.217 340 S HN 1.764 nan 8.310 nan 0.000 0.492 341 L N -1.827 119.376 121.223 -0.034 0.000 2.869 341 L HA 0.860 5.314 4.340 0.191 0.000 0.265 341 L C 0.467 177.114 176.870 -0.373 0.000 1.011 341 L CA 0.181 54.935 54.840 -0.143 0.000 0.913 341 L CB 0.731 42.735 42.059 -0.093 0.000 1.490 341 L HN 1.646 nan 8.230 nan 0.000 0.410 342 G N -0.616 107.778 108.800 -0.678 0.000 2.143 342 G HA2 -0.178 3.896 3.960 0.191 0.000 0.249 342 G HA3 -0.178 3.896 3.960 0.191 0.000 0.249 342 G C -0.221 174.482 174.900 -0.328 0.000 0.981 342 G CA 0.375 44.850 45.100 -1.042 0.000 0.665 342 G HN 0.873 nan 8.290 nan 0.000 0.528 343 D N -0.638 119.669 120.400 -0.156 0.000 2.340 343 D HA 0.671 5.426 4.640 0.191 0.000 0.251 343 D C 1.510 177.840 176.300 0.050 0.000 1.080 343 D CA 0.245 54.221 54.000 -0.039 0.000 0.971 343 D CB 1.001 41.784 40.800 -0.028 0.000 1.137 343 D HN 0.290 nan 8.370 nan 0.000 0.475 344 A N 0.826 123.627 122.820 -0.032 0.000 1.969 344 A HA -0.110 4.325 4.320 0.191 0.000 0.218 344 A C 0.638 178.203 177.584 -0.032 0.000 1.169 344 A CA 1.163 53.166 52.037 -0.057 0.000 0.635 344 A CB -0.330 18.587 19.000 -0.140 0.000 0.810 344 A HN 0.510 nan 8.150 nan 0.000 0.445 345 E N 0.687 120.866 120.200 -0.035 0.000 2.313 345 E HA 0.434 4.898 4.350 0.191 0.000 0.276 345 E C -0.306 176.240 176.600 -0.088 0.000 1.031 345 E CA -0.071 56.289 56.400 -0.066 0.000 0.857 345 E CB 1.048 30.721 29.700 -0.044 0.000 1.040 345 E HN 0.207 nan 8.360 nan 0.000 0.408 346 S N 2.336 117.904 115.700 -0.221 0.000 2.549 346 S HA 0.331 4.916 4.470 0.191 0.000 0.279 346 S C -0.156 174.346 174.600 -0.164 0.000 1.321 346 S CA -0.476 57.511 58.200 -0.356 0.000 1.054 346 S CB 0.155 62.691 63.200 -1.106 0.000 0.899 346 S HN 0.278 nan 8.310 nan 0.000 0.497 347 L N 1.811 123.089 121.223 0.092 0.000 2.341 347 L HA 0.910 5.365 4.340 0.191 0.000 0.267 347 L C -0.191 176.935 176.870 0.428 0.000 1.009 347 L CA -0.901 54.075 54.840 0.227 0.000 0.819 347 L CB 1.868 44.005 42.059 0.129 0.000 1.323 347 L HN 0.685 nan 8.230 nan 0.000 0.425 348 A N 1.940 124.970 122.820 0.350 0.000 2.515 348 A HA 0.795 5.230 4.320 0.191 0.000 0.298 348 A C -1.483 176.221 177.584 0.201 0.000 1.059 348 A CA -0.491 51.723 52.037 0.296 0.000 0.698 348 A CB 2.118 21.285 19.000 0.278 0.000 1.289 348 A HN 0.716 nan 8.150 nan 0.000 0.404 349 Q N 1.095 120.995 119.800 0.167 0.000 2.377 349 Q HA 0.523 4.978 4.340 0.191 0.000 0.279 349 Q C -1.548 174.535 176.000 0.138 0.000 1.049 349 Q CA -0.776 55.111 55.803 0.141 0.000 0.825 349 Q CB 1.849 30.652 28.738 0.108 0.000 1.401 349 Q HN 0.846 nan 8.270 nan 0.000 0.404 350 H N 2.547 121.632 119.070 0.026 0.000 2.675 350 H HA 0.233 4.903 4.556 0.190 0.000 0.258 350 H C -2.245 173.086 175.328 0.005 0.000 1.271 350 H CA -2.048 53.987 56.048 -0.021 0.000 1.462 350 H CB 1.554 31.322 29.762 0.009 0.000 1.467 350 H HN 0.480 nan 8.280 nan 0.000 0.501 351 P HA -0.259 nan 4.420 nan 0.000 0.219 351 P C 1.456 178.658 177.300 -0.165 0.000 1.158 351 P CA 2.519 65.557 63.100 -0.103 0.000 0.895 351 P CB 0.149 31.747 31.700 -0.169 0.000 0.792 352 A N -0.558 121.987 122.820 -0.457 0.000 1.978 352 A HA -0.198 4.236 4.320 0.191 0.000 0.220 352 A C 2.148 179.610 177.584 -0.203 0.000 1.170 352 A CA 2.419 54.255 52.037 -0.334 0.000 0.636 352 A CB -1.303 17.452 19.000 -0.408 0.000 0.810 352 A HN 0.396 nan 8.150 nan 0.000 0.448 353 S N -3.109 112.442 115.700 -0.249 0.000 2.559 353 S HA 0.454 5.039 4.470 0.191 0.000 0.226 353 S C 1.152 175.775 174.600 0.040 0.000 1.000 353 S CA 0.297 58.509 58.200 0.020 0.000 0.948 353 S CB 0.035 63.376 63.200 0.236 0.000 0.870 353 S HN 0.433 nan 8.310 nan 0.000 0.497 354 M N 1.425 121.034 119.600 0.015 0.000 3.003 354 M HA 0.174 4.769 4.480 0.191 0.000 0.148 354 M C 2.383 178.702 176.300 0.032 0.000 1.643 354 M CA 1.025 56.349 55.300 0.040 0.000 1.598 354 M CB -0.410 32.228 32.600 0.063 0.000 0.778 354 M HN 0.292 nan 8.290 nan 0.000 0.556 355 T N -1.561 113.030 114.554 0.062 0.000 2.803 355 T HA -0.162 4.302 4.350 0.191 0.000 0.269 355 T C 0.878 175.523 174.700 -0.092 0.000 1.052 355 T CA 1.654 63.755 62.100 0.001 0.000 1.136 355 T CB -0.619 68.270 68.868 0.035 0.000 0.864 355 T HN 0.410 nan 8.240 nan 0.000 0.467 356 H N 0.696 119.797 119.070 0.051 0.000 2.469 356 H HA 0.470 5.140 4.556 0.191 0.000 0.286 356 H C 1.966 177.349 175.328 0.091 0.000 1.106 356 H CA 0.034 56.200 56.048 0.197 0.000 1.055 356 H CB 0.151 30.079 29.762 0.277 0.000 1.618 356 H HN 0.502 nan 8.280 nan 0.000 0.559 357 S N -0.516 115.221 115.700 0.062 0.000 2.423 357 S HA -0.204 4.381 4.470 0.191 0.000 0.231 357 S C 2.143 176.726 174.600 -0.027 0.000 1.014 357 S CA 1.092 59.302 58.200 0.017 0.000 0.965 357 S CB -0.238 62.961 63.200 -0.002 0.000 0.785 357 S HN 0.474 nan 8.310 nan 0.000 0.495 358 S N -0.060 115.557 115.700 -0.140 0.000 2.428 358 S HA 0.099 4.683 4.470 0.191 0.000 0.230 358 S C 0.459 174.954 174.600 -0.175 0.000 1.014 358 S CA -0.264 57.813 58.200 -0.205 0.000 0.957 358 S CB -0.757 62.245 63.200 -0.330 0.000 0.784 358 S HN 0.514 nan 8.310 nan 0.000 0.499 359 Y N 3.404 123.724 120.300 0.033 0.000 2.296 359 Y HA 0.400 5.064 4.550 0.190 0.000 0.343 359 Y C 1.528 177.425 175.900 -0.005 0.000 1.292 359 Y CA -0.416 57.699 58.100 0.025 0.000 1.490 359 Y CB 0.047 38.543 38.460 0.060 0.000 1.359 359 Y HN 0.196 nan 8.280 nan 0.000 0.599 360 T N -2.022 112.631 114.554 0.164 0.000 2.902 360 T HA 0.271 4.735 4.350 0.191 0.000 0.280 360 T C -2.102 172.614 174.700 0.026 0.000 0.992 360 T CA -2.025 60.111 62.100 0.060 0.000 1.015 360 T CB 1.497 70.379 68.868 0.024 0.000 1.044 360 T HN 0.273 nan 8.240 nan 0.000 0.520 361 P HA -0.129 nan 4.420 nan 0.000 0.216 361 P C 1.428 178.696 177.300 -0.053 0.000 1.153 361 P CA 1.171 64.259 63.100 -0.020 0.000 0.858 361 P CB 0.127 31.818 31.700 -0.015 0.000 0.789 362 E N -0.168 119.996 120.200 -0.059 0.000 2.072 362 E HA -0.201 4.263 4.350 0.191 0.000 0.191 362 E C 1.809 178.321 176.600 -0.148 0.000 0.985 362 E CA 1.000 57.348 56.400 -0.086 0.000 0.801 362 E CB -0.206 29.447 29.700 -0.078 0.000 0.750 362 E HN 0.287 nan 8.360 nan 0.000 0.452 363 E N 0.190 120.282 120.200 -0.180 0.000 2.077 363 E HA -0.179 4.286 4.350 0.191 0.000 0.193 363 E C 2.297 178.562 176.600 -0.559 0.000 0.989 363 E CA 0.721 56.895 56.400 -0.377 0.000 0.800 363 E CB -0.053 29.479 29.700 -0.281 0.000 0.746 363 E HN 0.193 nan 8.360 nan 0.000 0.452 364 R N 0.508 120.835 120.500 -0.288 0.000 2.081 364 R HA -0.108 4.346 4.340 0.191 0.000 0.235 364 R C 2.430 178.596 176.300 -0.223 0.000 1.131 364 R CA 1.128 57.091 56.100 -0.228 0.000 0.960 364 R CB -0.349 29.896 30.300 -0.091 0.000 0.856 364 R HN 0.116 nan 8.270 nan 0.000 0.436 365 A N 0.481 123.202 122.820 -0.164 0.000 1.940 365 A HA -0.249 4.185 4.320 0.191 0.000 0.219 365 A C 1.892 179.411 177.584 -0.108 0.000 1.176 365 A CA 1.895 53.864 52.037 -0.114 0.000 0.631 365 A CB -0.751 18.204 19.000 -0.075 0.000 0.814 365 A HN 0.426 nan 8.150 nan 0.000 0.446 366 H N -1.782 117.119 119.070 -0.283 0.000 2.456 366 H HA -0.099 4.572 4.556 0.191 0.000 0.296 366 H C 1.096 176.332 175.328 -0.153 0.000 1.079 366 H CA 1.659 57.544 56.048 -0.272 0.000 1.322 366 H CB -0.326 29.182 29.762 -0.423 0.000 1.388 366 H HN 0.680 nan 8.280 nan 0.000 0.538 367 Y N -1.232 118.869 120.300 -0.332 0.000 2.468 367 Y HA 0.189 4.854 4.550 0.191 0.000 0.268 367 Y C 1.552 177.247 175.900 -0.342 0.000 1.177 367 Y CA -0.326 57.515 58.100 -0.431 0.000 1.265 367 Y CB 0.714 38.923 38.460 -0.417 0.000 1.103 367 Y HN 0.411 nan 8.280 nan 0.000 0.522 368 G N 1.520 110.244 108.800 -0.126 0.000 2.160 368 G HA2 -0.253 3.822 3.960 0.191 0.000 0.244 368 G HA3 -0.253 3.822 3.960 0.191 0.000 0.244 368 G C -0.374 174.424 174.900 -0.170 0.000 1.022 368 G CA -0.196 44.829 45.100 -0.125 0.000 0.741 368 G HN 0.198 nan 8.290 nan 0.000 0.508 369 I N 1.539 121.988 120.570 -0.201 0.000 2.354 369 I HA 0.381 4.665 4.170 0.191 0.000 0.286 369 I C 0.670 176.680 176.117 -0.178 0.000 1.007 369 I CA -0.592 60.556 61.300 -0.253 0.000 1.167 369 I CB 1.176 38.938 38.000 -0.397 0.000 1.320 369 I HN 0.060 nan 8.210 nan 0.000 0.458 370 S N 5.063 120.671 115.700 -0.155 0.000 2.632 370 S HA 0.213 4.797 4.470 0.191 0.000 0.271 370 S C 1.221 175.768 174.600 -0.088 0.000 1.260 370 S CA -0.618 57.527 58.200 -0.091 0.000 1.010 370 S CB 1.449 64.622 63.200 -0.044 0.000 0.965 370 S HN 0.463 nan 8.310 nan 0.000 0.534 371 E N 1.636 121.811 120.200 -0.041 0.000 2.204 371 E HA -0.092 4.372 4.350 0.191 0.000 0.195 371 E C 1.598 178.260 176.600 0.103 0.000 0.990 371 E CA 0.984 57.384 56.400 -0.000 0.000 0.821 371 E CB -0.376 29.334 29.700 0.017 0.000 0.750 371 E HN 0.804 nan 8.360 nan 0.000 0.477 372 G N 0.629 109.460 108.800 0.051 0.000 3.393 372 G HA2 0.146 4.220 3.960 0.191 0.000 0.255 372 G HA3 0.146 4.220 3.960 0.191 0.000 0.255 372 G C 0.241 175.106 174.900 -0.058 0.000 1.097 372 G CA -0.459 44.667 45.100 0.043 0.000 0.780 372 G HN 0.085 nan 8.290 nan 0.000 0.540 373 L N 1.756 122.932 121.223 -0.078 0.000 2.462 373 L HA 0.471 4.925 4.340 0.191 0.000 0.272 373 L C -0.516 176.208 176.870 -0.244 0.000 1.166 373 L CA 0.074 54.782 54.840 -0.220 0.000 0.880 373 L CB 1.082 42.982 42.059 -0.265 0.000 1.142 373 L HN -0.124 nan 8.230 nan 0.000 0.473 374 V N 6.412 125.996 119.914 -0.551 0.000 2.588 374 V HA 0.580 4.814 4.120 0.191 0.000 0.304 374 V C -0.117 175.698 176.094 -0.466 0.000 1.042 374 V CA -0.726 61.227 62.300 -0.578 0.000 0.877 374 V CB 1.895 33.027 31.823 -1.152 0.000 0.996 374 V HN 0.744 nan 8.190 nan 0.000 0.425 375 R N 4.542 124.938 120.500 -0.173 0.000 2.514 375 R HA 0.802 5.256 4.340 0.191 0.000 0.301 375 R C -1.392 174.965 176.300 0.093 0.000 0.962 375 R CA -0.621 55.450 56.100 -0.049 0.000 0.882 375 R CB 1.961 32.259 30.300 -0.005 0.000 1.143 375 R HN 0.555 nan 8.270 nan 0.000 0.452 376 L N 1.003 122.329 121.223 0.171 0.000 2.365 376 L HA 0.434 4.889 4.340 0.191 0.000 0.273 376 L C -0.180 176.860 176.870 0.285 0.000 1.000 376 L CA -0.758 54.257 54.840 0.291 0.000 0.819 376 L CB 2.258 44.530 42.059 0.355 0.000 1.284 376 L HN 0.520 nan 8.230 nan 0.000 0.418 377 S N 2.418 118.291 115.700 0.290 0.000 2.488 377 S HA 0.419 5.004 4.470 0.191 0.000 0.310 377 S C -0.398 174.338 174.600 0.227 0.000 1.093 377 S CA -0.560 57.753 58.200 0.189 0.000 1.129 377 S CB 0.471 63.717 63.200 0.077 0.000 0.989 377 S HN 0.306 nan 8.310 nan 0.000 0.479 378 V N 5.747 125.823 119.914 0.270 0.000 2.479 378 V HA 0.387 4.621 4.120 0.191 0.000 0.281 378 V C 1.503 177.749 176.094 0.254 0.000 1.031 378 V CA 0.258 62.710 62.300 0.253 0.000 1.038 378 V CB 0.486 32.480 31.823 0.284 0.000 0.981 378 V HN 0.898 nan 8.190 nan 0.000 0.478 379 G N 3.703 112.556 108.800 0.088 0.000 2.531 379 G HA2 0.417 4.491 3.960 0.191 0.000 0.253 379 G HA3 0.417 4.491 3.960 0.191 0.000 0.253 379 G C 0.480 175.390 174.900 0.017 0.000 1.439 379 G CA -0.725 44.451 45.100 0.126 0.000 1.056 379 G HN 0.641 nan 8.290 nan 0.000 0.555 380 L N -0.188 120.973 121.223 -0.104 0.000 2.667 380 L HA 0.247 4.702 4.340 0.191 0.000 0.232 380 L C 0.562 177.367 176.870 -0.109 0.000 1.138 380 L CA -0.062 54.675 54.840 -0.171 0.000 0.921 380 L CB -0.204 41.719 42.059 -0.227 0.000 1.180 380 L HN 0.360 nan 8.230 nan 0.000 0.487 381 E N 0.383 120.525 120.200 -0.098 0.000 2.416 381 E HA -0.036 4.428 4.350 0.191 0.000 0.254 381 E C 0.137 176.699 176.600 -0.062 0.000 1.241 381 E CA -0.155 56.195 56.400 -0.083 0.000 0.969 381 E CB 0.351 29.988 29.700 -0.104 0.000 0.999 381 E HN -0.038 nan 8.360 nan 0.000 0.481 382 D N 0.822 121.192 120.400 -0.050 0.000 2.434 382 D HA -0.084 4.670 4.640 0.191 0.000 0.252 382 D C 0.872 177.152 176.300 -0.033 0.000 1.185 382 D CA -0.051 53.927 54.000 -0.037 0.000 0.886 382 D CB 0.624 41.405 40.800 -0.032 0.000 1.148 382 D HN 0.351 nan 8.370 nan 0.000 0.483 383 I N 4.200 124.755 120.570 -0.025 0.000 2.315 383 I HA -0.280 4.004 4.170 0.191 0.000 0.251 383 I C 1.405 177.500 176.117 -0.037 0.000 1.125 383 I CA 1.508 62.797 61.300 -0.018 0.000 1.392 383 I CB -0.056 37.938 38.000 -0.010 0.000 1.065 383 I HN 0.381 nan 8.210 nan 0.000 0.424 384 D N 0.496 120.871 120.400 -0.042 0.000 2.178 384 D HA -0.156 4.599 4.640 0.191 0.000 0.202 384 D C 1.714 177.982 176.300 -0.053 0.000 0.974 384 D CA 1.221 55.187 54.000 -0.057 0.000 0.841 384 D CB -0.278 40.496 40.800 -0.044 0.000 0.953 384 D HN 0.444 nan 8.370 nan 0.000 0.478 385 D N 0.106 120.486 120.400 -0.033 0.000 2.162 385 D HA -0.015 4.739 4.640 0.191 0.000 0.203 385 D C 2.382 178.686 176.300 0.008 0.000 0.967 385 D CA 0.205 54.194 54.000 -0.020 0.000 0.840 385 D CB -0.039 40.748 40.800 -0.022 0.000 0.972 385 D HN 0.240 nan 8.370 nan 0.000 0.482 386 L N 0.310 121.545 121.223 0.021 0.000 2.056 386 L HA -0.085 4.369 4.340 0.191 0.000 0.207 386 L C 2.546 179.485 176.870 0.114 0.000 1.078 386 L CA 0.569 55.491 54.840 0.136 0.000 0.749 386 L CB -0.314 41.821 42.059 0.127 0.000 0.901 386 L HN 0.006 nan 8.230 nan 0.000 0.433 387 L N -0.290 120.898 121.223 -0.058 0.000 2.046 387 L HA -0.202 4.253 4.340 0.191 0.000 0.208 387 L C 2.883 179.603 176.870 -0.250 0.000 1.077 387 L CA 1.232 55.896 54.840 -0.292 0.000 0.747 387 L CB -0.663 41.140 42.059 -0.427 0.000 0.896 387 L HN 0.242 nan 8.230 nan 0.000 0.432 388 A N -0.389 122.354 122.820 -0.127 0.000 1.933 388 A HA -0.280 4.154 4.320 0.191 0.000 0.218 388 A C 1.967 179.543 177.584 -0.013 0.000 1.175 388 A CA 2.126 54.122 52.037 -0.068 0.000 0.628 388 A CB -0.573 18.403 19.000 -0.040 0.000 0.814 388 A HN 0.419 nan 8.150 nan 0.000 0.444 389 D N -0.511 119.906 120.400 0.028 0.000 2.097 389 D HA -0.102 4.652 4.640 0.191 0.000 0.197 389 D C 1.878 178.192 176.300 0.024 0.000 0.984 389 D CA 1.495 55.528 54.000 0.055 0.000 0.826 389 D CB -0.119 40.781 40.800 0.166 0.000 0.973 389 D HN 0.138 nan 8.370 nan 0.000 0.460 390 V N 0.575 120.521 119.914 0.053 0.000 2.407 390 V HA -0.217 4.018 4.120 0.191 0.000 0.248 390 V C 2.570 178.790 176.094 0.210 0.000 1.055 390 V CA 1.854 64.215 62.300 0.102 0.000 1.049 390 V CB -0.644 31.255 31.823 0.128 0.000 0.662 390 V HN 0.329 nan 8.190 nan 0.000 0.455 391 Q N 0.588 120.489 119.800 0.168 0.000 2.030 391 Q HA -0.340 4.114 4.340 0.191 0.000 0.204 391 Q C 2.336 178.429 176.000 0.155 0.000 0.986 391 Q CA 2.558 58.510 55.803 0.247 0.000 0.843 391 Q CB -0.090 28.740 28.738 0.154 0.000 0.904 391 Q HN 0.855 nan 8.270 nan 0.000 0.420 392 Q N -0.349 119.498 119.800 0.079 0.000 2.167 392 Q HA -0.007 4.447 4.340 0.191 0.000 0.202 392 Q C 1.732 177.752 176.000 0.034 0.000 0.970 392 Q CA 1.599 57.430 55.803 0.047 0.000 0.855 392 Q CB -0.617 28.131 28.738 0.017 0.000 0.911 392 Q HN 0.374 nan 8.270 nan 0.000 0.438 393 A N 0.432 123.251 122.820 -0.002 0.000 1.929 393 A HA -0.020 4.415 4.320 0.191 0.000 0.216 393 A C 1.991 179.688 177.584 0.188 0.000 1.176 393 A CA 1.087 53.069 52.037 -0.091 0.000 0.628 393 A CB -0.532 18.125 19.000 -0.572 0.000 0.816 393 A HN 0.357 nan 8.150 nan 0.000 0.444 394 L N -0.073 121.340 121.223 0.316 0.000 2.056 394 L HA -0.097 4.358 4.340 0.191 0.000 0.207 394 L C 2.258 179.222 176.870 0.157 0.000 1.078 394 L CA 1.927 56.949 54.840 0.304 0.000 0.749 394 L CB -0.581 41.599 42.059 0.202 0.000 0.901 394 L HN 0.342 nan 8.230 nan 0.000 0.433 395 K N -1.223 119.245 120.400 0.114 0.000 2.148 395 K HA -0.039 4.395 4.320 0.191 0.000 0.204 395 K C 1.977 178.613 176.600 0.061 0.000 1.050 395 K CA 1.110 57.439 56.287 0.070 0.000 0.942 395 K CB -0.208 32.327 32.500 0.058 0.000 0.724 395 K HN 0.327 nan 8.250 nan 0.000 0.446 396 A N 1.195 124.054 122.820 0.065 0.000 2.067 396 A HA -0.100 4.334 4.320 0.191 0.000 0.217 396 A C 2.078 179.699 177.584 0.062 0.000 1.156 396 A CA 1.494 53.558 52.037 0.046 0.000 0.683 396 A CB -0.420 18.592 19.000 0.020 0.000 0.808 396 A HN 0.348 nan 8.150 nan 0.000 0.455 397 S N 0.234 116.000 115.700 0.109 0.000 2.447 397 S HA 0.290 4.875 4.470 0.191 0.000 0.233 397 S C 1.244 175.878 174.600 0.055 0.000 1.006 397 S CA 0.589 58.855 58.200 0.109 0.000 0.957 397 S CB -0.732 62.571 63.200 0.172 0.000 0.773 397 S HN 0.867 nan 8.310 nan 0.000 0.507 398 A N 0.000 122.847 122.820 0.046 0.000 2.254 398 A HA 0.000 4.434 4.320 0.191 0.000 0.244 398 A CA 0.000 52.052 52.037 0.025 0.000 0.836 398 A CB 0.000 19.013 19.000 0.021 0.000 0.831 398 A HN 0.000 nan 8.150 nan 0.000 0.486