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 2omt_1_A DATA FIRST_RESID 36 DATA SEQUENCE ATITQDTPIN QIFTDTALAE KMKTVLGKTN VTDTVSQTDL DQVTTLQADR DATA SEQUENCE LGIKSIDGVE YLNNLTQINF SNNQLTDITP LKNLTKLVDI LMNNNQIADI DATA SEQUENCE TPLANLTNLT GLTLFNNQIT DIDPLKNLTN LNRLELSSNT ISDISALSGL DATA SEQUENCE TSLQQLSFSS NQVTDLKPLA NLTTLERLDI SSNKVSDISV LAKLTNLESL DATA SEQUENCE IATNNQISDI TPLGILTNLD ELSLNGNQLK DIGTLASLTN LTDLDLANNQ DATA SEQUENCE ISNLAPLSGL TKLTELKLGA NQISNISPLA GLTALTNLEL NENQLEDISP DATA SEQUENCE ISNLKNLTYL TLYFNNISDI SPVSSLTKLQ RLFFYNNKVS DVSSLANLTN DATA SEQUENCE INWLSAGHNQ ISDLTPLANL TRITQLGLND QAWTNAPVNY KANVSIPNTV DATA SEQUENCE KNVTGALIAP ATISDGGSYT EPDITWNLPS YTNEVSYTFS QPVTIGKGTT DATA SEQUENCE TFSGTVTQPL KA 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 36 A HA 0.000 nan 4.320 nan 0.000 0.244 36 A C 0.000 177.640 177.584 0.093 0.000 1.274 36 A CA 0.000 51.994 52.037 -0.072 0.000 0.836 36 A CB 0.000 18.809 19.000 -0.318 0.000 0.831 37 T N -0.149 114.577 114.554 0.288 0.000 2.993 37 T HA 0.663 5.013 4.350 0.000 0.000 0.312 37 T C -0.204 174.619 174.700 0.205 0.000 1.115 37 T CA -0.296 61.992 62.100 0.314 0.000 1.027 37 T CB 0.756 69.703 68.868 0.130 0.000 1.116 37 T HN 1.741 nan 8.240 nan 0.000 0.464 38 I N 1.243 121.777 120.570 -0.060 0.000 2.529 38 I HA 0.422 4.592 4.170 0.000 0.000 0.284 38 I C 1.567 177.643 176.117 -0.069 0.000 1.082 38 I CA -0.563 60.628 61.300 -0.181 0.000 1.406 38 I CB 1.056 38.840 38.000 -0.359 0.000 1.405 38 I HN 0.906 nan 8.210 nan 0.000 0.548 39 T N 2.182 116.706 114.554 -0.050 0.000 2.851 39 T HA -0.021 4.329 4.350 0.000 0.000 0.262 39 T C 0.657 175.335 174.700 -0.037 0.000 1.043 39 T CA 0.774 62.854 62.100 -0.033 0.000 1.140 39 T CB -0.211 68.646 68.868 -0.019 0.000 0.872 39 T HN 0.860 nan 8.240 nan 0.000 0.446 40 Q N 0.579 120.351 119.800 -0.046 0.000 2.451 40 Q HA 0.514 4.854 4.340 0.000 0.000 0.281 40 Q C -1.737 174.235 176.000 -0.047 0.000 1.099 40 Q CA -1.264 54.518 55.803 -0.036 0.000 0.806 40 Q CB 1.126 29.846 28.738 -0.029 0.000 1.419 40 Q HN -0.004 nan 8.270 nan 0.000 0.427 41 D N 1.845 122.225 120.400 -0.034 0.000 2.571 41 D HA 0.092 4.732 4.640 0.000 0.000 0.231 41 D C -0.588 175.686 176.300 -0.044 0.000 1.133 41 D CA 0.814 54.794 54.000 -0.033 0.000 0.862 41 D CB 0.608 41.397 40.800 -0.019 0.000 1.179 41 D HN 0.486 nan 8.370 nan 0.000 0.474 42 T N 2.436 116.959 114.554 -0.053 0.000 2.971 42 T HA 0.377 4.727 4.350 0.000 0.000 0.304 42 T C -2.651 172.025 174.700 -0.041 0.000 1.038 42 T CA -1.377 60.684 62.100 -0.065 0.000 1.007 42 T CB 2.181 70.975 68.868 -0.123 0.000 1.055 42 T HN 0.015 nan 8.240 nan 0.000 0.451 43 P HA 0.192 nan 4.420 nan 0.000 0.264 43 P C 0.921 178.232 177.300 0.019 0.000 1.183 43 P CA -0.051 63.049 63.100 0.001 0.000 0.763 43 P CB 0.381 32.081 31.700 0.002 0.000 0.807 44 I N 2.349 122.958 120.570 0.065 0.000 2.194 44 I HA -0.349 3.821 4.170 0.000 0.000 0.246 44 I C 1.771 177.994 176.117 0.176 0.000 1.093 44 I CA 1.993 63.390 61.300 0.160 0.000 1.355 44 I CB -0.655 37.441 38.000 0.160 0.000 1.046 44 I HN 0.460 nan 8.210 nan 0.000 0.413 45 N N 0.602 119.364 118.700 0.104 0.000 2.571 45 N HA -0.175 4.565 4.740 0.000 0.000 0.189 45 N C 1.370 176.911 175.510 0.051 0.000 1.154 45 N CA 0.833 53.938 53.050 0.091 0.000 0.907 45 N CB -0.380 38.144 38.487 0.060 0.000 0.977 45 N HN 0.501 nan 8.380 nan 0.000 0.449 46 Q N -0.742 119.067 119.800 0.015 0.000 2.281 46 Q HA 0.351 4.691 4.340 0.000 0.000 0.215 46 Q C 1.140 177.090 176.000 -0.084 0.000 0.867 46 Q CA 0.043 55.830 55.803 -0.026 0.000 0.940 46 Q CB 0.448 29.164 28.738 -0.036 0.000 1.111 46 Q HN 0.434 nan 8.270 nan 0.000 0.513 47 I N -0.909 119.574 120.570 -0.146 0.000 2.685 47 I HA -0.009 4.161 4.170 0.000 0.000 0.251 47 I C 0.036 175.900 176.117 -0.421 0.000 1.102 47 I CA 0.455 61.533 61.300 -0.371 0.000 1.442 47 I CB 0.385 38.014 38.000 -0.617 0.000 1.194 47 I HN -0.028 nan 8.210 nan 0.000 0.448 48 F N 2.140 122.120 119.950 0.051 0.000 2.406 48 F HA 0.138 4.665 4.527 -0.000 0.000 0.358 48 F C 1.765 177.586 175.800 0.035 0.000 1.161 48 F CA -0.570 57.462 58.000 0.053 0.000 1.185 48 F CB 0.117 39.151 39.000 0.056 0.000 1.421 48 F HN -0.011 nan 8.300 nan 0.000 0.576 49 T N -2.589 112.037 114.554 0.122 0.000 3.035 49 T HA -0.125 4.225 4.350 0.000 0.000 0.268 49 T C 0.451 175.199 174.700 0.080 0.000 1.109 49 T CA 0.271 62.417 62.100 0.076 0.000 1.119 49 T CB -0.358 68.533 68.868 0.037 0.000 0.900 49 T HN 0.355 nan 8.240 nan 0.000 0.503 50 D N 0.978 121.443 120.400 0.107 0.000 2.348 50 D HA 0.263 4.903 4.640 0.000 0.000 0.253 50 D C 1.161 177.510 176.300 0.083 0.000 1.161 50 D CA 0.049 54.099 54.000 0.083 0.000 0.876 50 D CB 1.291 42.141 40.800 0.083 0.000 1.160 50 D HN -0.008 nan 8.370 nan 0.000 0.459 51 T N 2.985 117.573 114.554 0.056 0.000 2.595 51 T HA -0.222 4.128 4.350 0.000 0.000 0.264 51 T C 1.919 176.643 174.700 0.040 0.000 1.058 51 T CA 1.782 63.909 62.100 0.045 0.000 1.166 51 T CB -0.550 68.337 68.868 0.032 0.000 0.863 51 T HN 0.605 nan 8.240 nan 0.000 0.415 52 A N 1.115 123.957 122.820 0.036 0.000 1.915 52 A HA -0.156 4.164 4.320 0.000 0.000 0.220 52 A C 2.288 179.890 177.584 0.030 0.000 1.198 52 A CA 1.972 54.028 52.037 0.032 0.000 0.647 52 A CB -0.996 18.026 19.000 0.036 0.000 0.825 52 A HN 0.408 nan 8.150 nan 0.000 0.456 53 L N -0.791 120.462 121.223 0.050 0.000 2.072 53 L HA 0.083 4.423 4.340 0.000 0.000 0.205 53 L C 2.743 179.584 176.870 -0.047 0.000 1.079 53 L CA 2.044 56.900 54.840 0.027 0.000 0.752 53 L CB -0.837 41.282 42.059 0.100 0.000 0.906 53 L HN 0.357 nan 8.230 nan 0.000 0.436 54 A N -0.711 122.139 122.820 0.050 0.000 1.940 54 A HA -0.265 4.055 4.320 0.000 0.000 0.219 54 A C 2.214 179.794 177.584 -0.005 0.000 1.176 54 A CA 1.761 53.832 52.037 0.055 0.000 0.631 54 A CB -0.716 18.359 19.000 0.126 0.000 0.814 54 A HN 0.522 nan 8.150 nan 0.000 0.446 55 E N 0.377 120.577 120.200 -0.001 0.000 2.070 55 E HA -0.250 4.100 4.350 0.000 0.000 0.197 55 E C 1.950 178.527 176.600 -0.039 0.000 1.004 55 E CA 2.115 58.508 56.400 -0.012 0.000 0.805 55 E CB -0.227 29.471 29.700 -0.003 0.000 0.744 55 E HN 0.563 nan 8.360 nan 0.000 0.451 56 K N -0.697 119.665 120.400 -0.063 0.000 2.025 56 K HA -0.051 4.269 4.320 0.000 0.000 0.207 56 K C 1.927 178.447 176.600 -0.133 0.000 1.049 56 K CA 1.658 57.891 56.287 -0.091 0.000 0.933 56 K CB -0.168 32.275 32.500 -0.095 0.000 0.714 56 K HN 0.119 nan 8.250 nan 0.000 0.438 57 M N 1.230 120.700 119.600 -0.217 0.000 2.394 57 M HA -0.056 4.424 4.480 0.000 0.000 0.264 57 M C 1.913 178.138 176.300 -0.124 0.000 1.073 57 M CA 1.311 56.441 55.300 -0.283 0.000 1.111 57 M CB -0.765 31.419 32.600 -0.693 0.000 1.401 57 M HN 0.251 nan 8.290 nan 0.000 0.448 58 K N 0.483 120.839 120.400 -0.072 0.000 1.973 58 K HA -0.145 4.175 4.320 0.000 0.000 0.212 58 K C 1.722 178.304 176.600 -0.030 0.000 1.047 58 K CA 2.207 58.479 56.287 -0.025 0.000 0.937 58 K CB -0.141 32.353 32.500 -0.010 0.000 0.721 58 K HN 0.246 nan 8.250 nan 0.000 0.440 59 T N 1.547 116.079 114.554 -0.037 0.000 2.555 59 T HA -0.171 4.179 4.350 0.000 0.000 0.264 59 T C 2.042 176.718 174.700 -0.041 0.000 1.083 59 T CA 1.855 63.934 62.100 -0.035 0.000 1.179 59 T CB -0.720 68.126 68.868 -0.036 0.000 0.863 59 T HN 0.062 nan 8.240 nan 0.000 0.412 60 V N 1.494 121.372 119.914 -0.061 0.000 2.311 60 V HA -0.213 3.907 4.120 0.000 0.000 0.256 60 V C 2.354 178.426 176.094 -0.037 0.000 1.077 60 V CA 1.780 64.044 62.300 -0.060 0.000 1.067 60 V CB -0.672 31.096 31.823 -0.091 0.000 0.659 60 V HN 0.445 nan 8.190 nan 0.000 0.451 61 L N -0.563 120.642 121.223 -0.030 0.000 2.567 61 L HA 0.351 4.691 4.340 0.000 0.000 0.225 61 L C 1.314 178.183 176.870 -0.002 0.000 1.119 61 L CA 0.679 55.516 54.840 -0.005 0.000 0.871 61 L CB -0.116 41.951 42.059 0.014 0.000 1.036 61 L HN 0.536 nan 8.230 nan 0.000 0.459 62 G N 1.133 109.927 108.800 -0.009 0.000 2.470 62 G HA2 -0.191 3.769 3.960 0.000 0.000 0.286 62 G HA3 -0.191 3.769 3.960 0.000 0.000 0.286 62 G C -0.344 174.555 174.900 -0.002 0.000 1.115 62 G CA -0.219 44.877 45.100 -0.006 0.000 1.122 62 G HN 0.103 nan 8.290 nan 0.000 0.522 63 K N -0.552 119.847 120.400 -0.002 0.000 2.469 63 K HA 0.627 4.947 4.320 0.000 0.000 0.254 63 K C 0.967 177.567 176.600 0.001 0.000 0.939 63 K CA -0.174 56.114 56.287 0.003 0.000 0.812 63 K CB 1.515 34.020 32.500 0.009 0.000 1.301 63 K HN 0.180 nan 8.250 nan 0.000 0.433 64 T N 0.321 114.876 114.554 0.002 0.000 2.896 64 T HA 0.041 4.391 4.350 0.000 0.000 0.263 64 T C 0.180 174.882 174.700 0.003 0.000 1.050 64 T CA 1.134 63.235 62.100 0.002 0.000 1.140 64 T CB 0.113 68.982 68.868 0.002 0.000 0.877 64 T HN 0.449 nan 8.240 nan 0.000 0.457 65 N N 0.416 119.120 118.700 0.007 0.000 2.272 65 N HA 0.303 5.043 4.740 0.000 0.000 0.305 65 N C 0.834 176.353 175.510 0.016 0.000 1.103 65 N CA -0.361 52.694 53.050 0.010 0.000 0.791 65 N CB 2.283 40.776 38.487 0.009 0.000 1.356 65 N HN -0.081 nan 8.380 nan 0.000 0.486 66 V N 0.479 120.405 119.914 0.019 0.000 2.688 66 V HA -0.206 3.914 4.120 0.000 0.000 0.256 66 V C 2.268 178.384 176.094 0.037 0.000 1.084 66 V CA 2.259 64.578 62.300 0.032 0.000 1.103 66 V CB -1.105 30.738 31.823 0.034 0.000 0.688 66 V HN 0.841 nan 8.190 nan 0.000 0.480 67 T N -3.392 111.177 114.554 0.025 0.000 3.081 67 T HA 0.028 4.378 4.350 0.000 0.000 0.255 67 T C 0.480 175.190 174.700 0.017 0.000 1.113 67 T CA -0.165 61.947 62.100 0.020 0.000 1.082 67 T CB -0.321 68.556 68.868 0.014 0.000 0.939 67 T HN 0.400 nan 8.240 nan 0.000 0.506 68 D N 3.921 124.331 120.400 0.017 0.000 2.455 68 D HA 0.190 4.830 4.640 0.000 0.000 0.241 68 D C 0.696 177.005 176.300 0.016 0.000 1.138 68 D CA 0.325 54.333 54.000 0.013 0.000 0.877 68 D CB 1.185 41.992 40.800 0.012 0.000 1.187 68 D HN 0.479 nan 8.370 nan 0.000 0.451 69 T N -1.585 112.974 114.554 0.008 0.000 2.868 69 T HA 0.511 4.861 4.350 0.000 0.000 0.292 69 T C 0.475 175.180 174.700 0.008 0.000 1.028 69 T CA -0.847 61.255 62.100 0.003 0.000 1.059 69 T CB 1.052 69.916 68.868 -0.007 0.000 0.991 69 T HN 0.268 nan 8.240 nan 0.000 0.531 70 V N -1.964 117.952 119.914 0.004 0.000 3.078 70 V HA 0.834 4.954 4.120 0.000 0.000 0.311 70 V C -0.166 175.922 176.094 -0.010 0.000 1.138 70 V CA -0.995 61.311 62.300 0.009 0.000 1.007 70 V CB 1.675 33.521 31.823 0.038 0.000 1.045 70 V HN 0.978 nan 8.190 nan 0.000 0.432 71 S N -0.255 115.441 115.700 -0.006 0.000 2.748 71 S HA 0.371 4.841 4.470 0.000 0.000 0.299 71 S C 0.732 175.326 174.600 -0.011 0.000 1.119 71 S CA 0.063 58.252 58.200 -0.017 0.000 0.997 71 S CB 1.621 64.816 63.200 -0.010 0.000 1.223 71 S HN 1.007 nan 8.310 nan 0.000 0.541 72 Q N 1.040 120.832 119.800 -0.013 0.000 2.079 72 Q HA -0.109 4.231 4.340 0.000 0.000 0.200 72 Q C 2.002 178.018 176.000 0.026 0.000 0.974 72 Q CA 2.712 58.519 55.803 0.006 0.000 0.840 72 Q CB -1.090 27.653 28.738 0.009 0.000 0.898 72 Q HN 0.882 nan 8.270 nan 0.000 0.430 73 T N -1.484 113.082 114.554 0.020 0.000 2.720 73 T HA -0.180 4.170 4.350 0.000 0.000 0.268 73 T C 1.342 176.059 174.700 0.029 0.000 1.037 73 T CA 1.355 63.469 62.100 0.024 0.000 1.144 73 T CB -0.631 68.247 68.868 0.016 0.000 0.864 73 T HN 0.236 nan 8.240 nan 0.000 0.444 74 D N 1.820 122.236 120.400 0.027 0.000 2.126 74 D HA -0.080 4.560 4.640 0.000 0.000 0.190 74 D C 2.175 178.506 176.300 0.052 0.000 1.001 74 D CA 1.174 55.194 54.000 0.034 0.000 0.841 74 D CB -0.530 40.289 40.800 0.033 0.000 0.949 74 D HN 0.380 nan 8.370 nan 0.000 0.446 75 L N 0.745 122.008 121.223 0.067 0.000 2.131 75 L HA -0.168 4.172 4.340 0.000 0.000 0.210 75 L C 1.803 178.729 176.870 0.094 0.000 1.092 75 L CA 0.961 55.864 54.840 0.105 0.000 0.759 75 L CB -0.376 41.759 42.059 0.127 0.000 0.903 75 L HN -0.071 nan 8.230 nan 0.000 0.435 76 D N -0.389 120.052 120.400 0.069 0.000 2.264 76 D HA -0.146 4.494 4.640 0.000 0.000 0.208 76 D C 2.210 178.539 176.300 0.049 0.000 0.966 76 D CA 0.822 54.858 54.000 0.059 0.000 0.864 76 D CB -0.018 40.809 40.800 0.046 0.000 0.933 76 D HN 0.364 nan 8.370 nan 0.000 0.499 77 Q N 0.034 119.860 119.800 0.043 0.000 2.424 77 Q HA 0.064 4.404 4.340 0.000 0.000 0.204 77 Q C 0.327 176.346 176.000 0.031 0.000 0.933 77 Q CA 0.116 55.938 55.803 0.031 0.000 0.929 77 Q CB 0.707 29.460 28.738 0.024 0.000 1.037 77 Q HN 0.153 nan 8.270 nan 0.000 0.511 78 V N 2.985 122.925 119.914 0.043 0.000 2.397 78 V HA 0.022 4.142 4.120 0.000 0.000 0.262 78 V C 1.424 177.541 176.094 0.038 0.000 1.047 78 V CA 0.815 63.138 62.300 0.037 0.000 1.003 78 V CB 0.512 32.366 31.823 0.051 0.000 1.037 78 V HN 0.336 nan 8.190 nan 0.000 0.480 79 T N -0.138 114.429 114.554 0.022 0.000 2.971 79 T HA 0.140 4.491 4.350 0.000 0.000 0.252 79 T C 0.674 175.380 174.700 0.010 0.000 1.022 79 T CA 0.515 62.627 62.100 0.021 0.000 0.980 79 T CB 0.416 69.294 68.868 0.016 0.000 1.044 79 T HN 0.703 nan 8.240 nan 0.000 0.501 80 T N 0.235 114.785 114.554 -0.006 0.000 2.900 80 T HA 0.737 5.087 4.350 0.000 0.000 0.295 80 T C -1.520 173.144 174.700 -0.059 0.000 1.044 80 T CA -0.894 61.189 62.100 -0.029 0.000 0.995 80 T CB 2.151 71.000 68.868 -0.033 0.000 1.072 80 T HN 0.177 nan 8.240 nan 0.000 0.473 81 L N 2.351 123.509 121.223 -0.108 0.000 2.476 81 L HA 0.491 4.831 4.340 0.000 0.000 0.269 81 L C -1.292 175.401 176.870 -0.296 0.000 0.965 81 L CA -0.396 54.330 54.840 -0.191 0.000 0.845 81 L CB 2.279 44.216 42.059 -0.202 0.000 1.259 81 L HN 0.672 nan 8.230 nan 0.000 0.403 82 Q N 5.136 124.792 119.800 -0.241 0.000 2.569 82 Q HA 0.548 4.888 4.340 0.000 0.000 0.226 82 Q C 0.093 175.935 176.000 -0.263 0.000 1.136 82 Q CA 0.069 55.728 55.803 -0.240 0.000 0.947 82 Q CB 1.398 30.052 28.738 -0.141 0.000 1.218 82 Q HN 0.671 nan 8.270 nan 0.000 0.547 83 A N 2.433 125.008 122.820 -0.409 0.000 2.701 83 A HA 0.152 4.473 4.320 0.000 0.000 0.297 83 A C 0.054 177.553 177.584 -0.143 0.000 1.197 83 A CA -0.628 51.236 52.037 -0.288 0.000 0.963 83 A CB 0.046 18.832 19.000 -0.357 0.000 1.175 83 A HN 0.513 nan 8.150 nan 0.000 0.531 84 D N -0.295 120.028 120.400 -0.129 0.000 2.362 84 D HA 0.166 4.806 4.640 0.000 0.000 0.242 84 D C 0.100 176.389 176.300 -0.018 0.000 1.132 84 D CA -0.297 53.674 54.000 -0.047 0.000 0.907 84 D CB 0.373 41.143 40.800 -0.050 0.000 1.195 84 D HN 0.275 nan 8.370 nan 0.000 0.429 85 R N -0.331 120.172 120.500 0.004 0.000 3.651 85 R HA -0.166 4.174 4.340 0.000 0.000 0.292 85 R C 0.300 176.605 176.300 0.009 0.000 1.161 85 R CA 0.271 56.373 56.100 0.005 0.000 0.787 85 R CB -2.066 28.231 30.300 -0.004 0.000 1.249 85 R HN 0.536 nan 8.270 nan 0.000 0.476 86 L N -0.696 120.541 121.223 0.022 0.000 2.808 86 L HA 0.228 4.568 4.340 0.000 0.000 0.246 86 L C 1.393 178.281 176.870 0.029 0.000 1.153 86 L CA 0.542 55.395 54.840 0.022 0.000 0.956 86 L CB 0.906 42.979 42.059 0.023 0.000 1.270 86 L HN 0.538 nan 8.230 nan 0.000 0.528 87 G N 1.574 110.392 108.800 0.030 0.000 2.246 87 G HA2 -0.283 3.677 3.960 0.000 0.000 0.273 87 G HA3 -0.283 3.677 3.960 0.000 0.000 0.273 87 G C 0.141 175.061 174.900 0.033 0.000 1.055 87 G CA -0.076 45.039 45.100 0.026 0.000 0.851 87 G HN 0.317 nan 8.290 nan 0.000 0.500 88 I N -0.676 119.924 120.570 0.050 0.000 2.441 88 I HA 0.231 4.402 4.170 0.000 0.000 0.287 88 I C 1.392 177.521 176.117 0.021 0.000 1.049 88 I CA 0.014 61.345 61.300 0.052 0.000 1.381 88 I CB 1.237 39.299 38.000 0.104 0.000 1.409 88 I HN 0.096 nan 8.210 nan 0.000 0.523 89 K N 2.579 122.986 120.400 0.011 0.000 2.370 89 K HA 0.160 4.481 4.320 0.000 0.000 0.194 89 K C 0.379 176.966 176.600 -0.021 0.000 1.070 89 K CA 0.230 56.514 56.287 -0.004 0.000 0.998 89 K CB 0.679 33.181 32.500 0.003 0.000 0.911 89 K HN 0.556 nan 8.250 nan 0.000 0.533 90 S N 0.392 116.081 115.700 -0.018 0.000 2.549 90 S HA 0.388 4.858 4.470 0.000 0.000 0.280 90 S C -0.379 174.188 174.600 -0.053 0.000 1.109 90 S CA -0.876 57.302 58.200 -0.036 0.000 0.905 90 S CB 1.034 64.230 63.200 -0.006 0.000 1.081 90 S HN 0.248 nan 8.310 nan 0.000 0.477 91 I N 0.241 120.742 120.570 -0.115 0.000 3.856 91 I HA 0.486 4.656 4.170 0.000 0.000 0.333 91 I C -0.518 175.585 176.117 -0.025 0.000 1.525 91 I CA -0.617 60.601 61.300 -0.137 0.000 1.173 91 I CB -0.071 37.677 38.000 -0.421 0.000 1.175 91 I HN 0.261 nan 8.210 nan 0.000 0.424 92 D N 2.935 123.334 120.400 -0.001 0.000 2.487 92 D HA 0.331 4.971 4.640 0.000 0.000 0.243 92 D C 1.336 177.648 176.300 0.019 0.000 1.154 92 D CA 1.602 55.598 54.000 -0.006 0.000 0.876 92 D CB 1.292 42.085 40.800 -0.012 0.000 1.161 92 D HN 0.585 nan 8.370 nan 0.000 0.478 93 G N 1.041 109.806 108.800 -0.059 0.000 2.253 93 G HA2 -0.293 3.667 3.960 0.000 0.000 0.209 93 G HA3 -0.293 3.667 3.960 0.000 0.000 0.209 93 G C 1.056 175.914 174.900 -0.070 0.000 0.997 93 G CA 0.102 45.057 45.100 -0.241 0.000 0.640 93 G HN 0.515 nan 8.290 nan 0.000 0.496 94 V N 2.602 122.628 119.914 0.187 0.000 2.809 94 V HA -0.006 4.114 4.120 0.000 0.000 0.256 94 V C 2.739 178.905 176.094 0.119 0.000 1.080 94 V CA 2.678 65.163 62.300 0.309 0.000 1.102 94 V CB -0.049 31.922 31.823 0.245 0.000 0.705 94 V HN 0.675 nan 8.190 nan 0.000 0.475 95 E N -0.562 119.604 120.200 -0.056 0.000 2.219 95 E HA -0.302 4.048 4.350 0.000 0.000 0.198 95 E C 1.740 178.225 176.600 -0.190 0.000 0.998 95 E CA 1.937 58.228 56.400 -0.181 0.000 0.818 95 E CB -0.734 28.770 29.700 -0.326 0.000 0.741 95 E HN 0.726 nan 8.360 nan 0.000 0.477 96 Y N 0.868 121.159 120.300 -0.014 0.000 2.583 96 Y HA 0.187 4.737 4.550 0.000 0.000 0.293 96 Y C 1.317 177.250 175.900 0.055 0.000 1.157 96 Y CA 0.328 58.422 58.100 -0.011 0.000 1.315 96 Y CB 0.121 38.529 38.460 -0.086 0.000 1.021 96 Y HN -0.061 nan 8.280 nan 0.000 0.536 97 L N 1.142 122.495 121.223 0.218 0.000 2.536 97 L HA 0.153 4.493 4.340 0.000 0.000 0.242 97 L C 0.707 177.648 176.870 0.118 0.000 1.280 97 L CA -0.197 54.757 54.840 0.190 0.000 1.221 97 L CB -0.174 42.023 42.059 0.229 0.000 1.449 97 L HN 0.206 nan 8.230 nan 0.000 0.405 98 N N 0.895 119.652 118.700 0.096 0.000 2.289 98 N HA -0.127 4.613 4.740 0.000 0.000 0.184 98 N C 0.887 176.428 175.510 0.052 0.000 1.016 98 N CA 1.010 54.096 53.050 0.060 0.000 0.872 98 N CB 0.092 38.609 38.487 0.051 0.000 0.973 98 N HN 0.489 nan 8.380 nan 0.000 0.433 99 N N 0.862 119.597 118.700 0.059 0.000 2.370 99 N HA 0.094 4.834 4.740 0.000 0.000 0.198 99 N C 0.000 175.538 175.510 0.046 0.000 1.156 99 N CA -0.018 53.059 53.050 0.046 0.000 0.839 99 N CB 0.193 38.705 38.487 0.042 0.000 0.989 99 N HN 0.267 nan 8.380 nan 0.000 0.468 100 L N 1.244 122.501 121.223 0.058 0.000 2.534 100 L HA -0.011 4.329 4.340 0.000 0.000 0.271 100 L C 1.796 178.692 176.870 0.044 0.000 1.178 100 L CA 0.223 55.098 54.840 0.057 0.000 0.907 100 L CB 0.628 42.738 42.059 0.085 0.000 1.164 100 L HN 0.187 nan 8.230 nan 0.000 0.482 101 T N -0.139 114.434 114.554 0.031 0.000 3.023 101 T HA 0.037 4.387 4.350 0.000 0.000 0.249 101 T C 0.556 175.269 174.700 0.023 0.000 1.050 101 T CA 0.003 62.118 62.100 0.025 0.000 1.088 101 T CB 0.502 69.380 68.868 0.018 0.000 0.946 101 T HN 0.510 nan 8.240 nan 0.000 0.480 102 Q N 1.043 120.852 119.800 0.015 0.000 2.271 102 Q HA 0.542 4.882 4.340 0.000 0.000 0.268 102 Q C -1.799 174.189 176.000 -0.020 0.000 1.021 102 Q CA -0.809 54.996 55.803 0.003 0.000 0.802 102 Q CB 2.298 31.031 28.738 -0.007 0.000 1.282 102 Q HN 0.727 nan 8.270 nan 0.000 0.431 103 I N 0.848 121.409 120.570 -0.016 0.000 2.582 103 I HA 0.612 4.782 4.170 0.000 0.000 0.292 103 I C -1.009 175.048 176.117 -0.100 0.000 1.066 103 I CA -0.926 60.326 61.300 -0.080 0.000 1.053 103 I CB 2.272 40.317 38.000 0.075 0.000 1.241 103 I HN 0.322 nan 8.210 nan 0.000 0.421 104 N N 5.166 123.710 118.700 -0.259 0.000 2.564 104 N HA 0.424 5.164 4.740 0.000 0.000 0.248 104 N C -1.382 173.899 175.510 -0.381 0.000 0.986 104 N CA -0.547 52.380 53.050 -0.205 0.000 0.921 104 N CB 0.757 39.147 38.487 -0.162 0.000 1.136 104 N HN 0.660 nan 8.380 nan 0.000 0.509 105 F N 0.949 120.881 119.950 -0.031 0.000 2.923 105 F HA 0.211 4.738 4.527 0.000 0.000 0.314 105 F C 1.389 177.158 175.800 -0.051 0.000 1.196 105 F CA -0.576 57.404 58.000 -0.034 0.000 1.320 105 F CB -0.047 38.938 39.000 -0.025 0.000 0.953 105 F HN 0.260 nan 8.300 nan 0.000 0.505 106 S N -0.076 115.652 115.700 0.046 0.000 2.589 106 S HA 0.055 4.525 4.470 0.000 0.000 0.265 106 S C 0.788 175.384 174.600 -0.007 0.000 1.342 106 S CA -0.473 57.717 58.200 -0.017 0.000 1.005 106 S CB 0.284 63.438 63.200 -0.076 0.000 0.909 106 S HN 0.531 nan 8.310 nan 0.000 0.555 107 N N 1.469 120.147 118.700 -0.038 0.000 2.725 107 N HA -0.152 4.588 4.740 0.000 0.000 0.251 107 N C -0.643 174.872 175.510 0.009 0.000 1.031 107 N CA 0.724 53.763 53.050 -0.018 0.000 0.720 107 N CB -1.508 36.971 38.487 -0.013 0.000 0.930 107 N HN 0.648 nan 8.380 nan 0.000 0.543 108 N N 0.586 119.297 118.700 0.020 0.000 2.867 108 N HA 0.281 5.021 4.740 0.000 0.000 0.326 108 N C 0.599 176.116 175.510 0.011 0.000 1.355 108 N CA -0.232 52.837 53.050 0.032 0.000 0.830 108 N CB 0.329 38.859 38.487 0.072 0.000 1.152 108 N HN 0.198 nan 8.380 nan 0.000 0.569 109 Q N 0.549 120.354 119.800 0.008 0.000 2.182 109 Q HA 0.406 4.746 4.340 0.000 0.000 0.305 109 Q C -0.602 175.389 176.000 -0.015 0.000 0.880 109 Q CA -0.150 55.651 55.803 -0.003 0.000 1.131 109 Q CB 0.423 29.162 28.738 0.001 0.000 1.237 109 Q HN 0.288 nan 8.270 nan 0.000 0.447 110 L N 0.937 122.146 121.223 -0.025 0.000 2.456 110 L HA 0.139 4.479 4.340 0.000 0.000 0.272 110 L C 1.280 178.126 176.870 -0.041 0.000 1.189 110 L CA 0.401 55.212 54.840 -0.048 0.000 0.846 110 L CB 0.557 42.565 42.059 -0.084 0.000 1.111 110 L HN 0.366 nan 8.230 nan 0.000 0.475 111 T N -2.705 111.823 114.554 -0.043 0.000 3.330 111 T HA 0.058 4.408 4.350 0.000 0.000 0.240 111 T C 0.395 175.069 174.700 -0.043 0.000 0.988 111 T CA -0.349 61.729 62.100 -0.035 0.000 1.253 111 T CB -0.047 68.806 68.868 -0.025 0.000 1.163 111 T HN 0.404 nan 8.240 nan 0.000 0.382 112 D N 2.150 122.522 120.400 -0.046 0.000 2.417 112 D HA 0.194 4.834 4.640 0.000 0.000 0.250 112 D C 0.715 176.971 176.300 -0.073 0.000 1.166 112 D CA -0.407 53.562 54.000 -0.051 0.000 0.881 112 D CB 0.450 41.222 40.800 -0.047 0.000 1.164 112 D HN 0.658 nan 8.370 nan 0.000 0.467 113 I N 0.351 120.879 120.570 -0.070 0.000 4.050 113 I HA 0.141 4.311 4.170 0.000 0.000 0.327 113 I C 1.657 177.729 176.117 -0.075 0.000 1.473 113 I CA -0.349 60.898 61.300 -0.089 0.000 1.124 113 I CB 0.094 38.045 38.000 -0.081 0.000 1.129 113 I HN 0.273 nan 8.210 nan 0.000 0.428 114 T N 0.048 114.563 114.554 -0.064 0.000 2.721 114 T HA -0.074 4.276 4.350 0.000 0.000 0.268 114 T C -0.486 174.173 174.700 -0.069 0.000 1.038 114 T CA 1.548 63.612 62.100 -0.058 0.000 1.145 114 T CB -2.088 66.748 68.868 -0.052 0.000 0.858 114 T HN 0.293 nan 8.240 nan 0.000 0.459 115 P HA 0.126 nan 4.420 nan 0.000 0.236 115 P C 0.971 178.226 177.300 -0.074 0.000 1.172 115 P CA 0.247 63.291 63.100 -0.092 0.000 0.759 115 P CB -0.192 31.452 31.700 -0.094 0.000 0.843 116 L N -0.784 120.403 121.223 -0.059 0.000 2.416 116 L HA 0.139 4.479 4.340 0.000 0.000 0.216 116 L C 2.221 179.074 176.870 -0.028 0.000 1.098 116 L CA 1.121 55.942 54.840 -0.032 0.000 0.840 116 L CB -1.065 40.978 42.059 -0.027 0.000 0.981 116 L HN -0.119 nan 8.230 nan 0.000 0.462 117 K N 0.440 120.816 120.400 -0.039 0.000 2.097 117 K HA -0.251 4.069 4.320 0.000 0.000 0.214 117 K C 1.026 177.610 176.600 -0.027 0.000 1.052 117 K CA 2.413 58.680 56.287 -0.033 0.000 0.932 117 K CB -0.061 32.415 32.500 -0.040 0.000 0.716 117 K HN 0.432 nan 8.250 nan 0.000 0.455 118 N N -0.245 118.434 118.700 -0.035 0.000 2.235 118 N HA 0.125 4.865 4.740 0.000 0.000 0.209 118 N C -0.716 174.784 175.510 -0.017 0.000 1.122 118 N CA -0.255 52.777 53.050 -0.030 0.000 0.845 118 N CB 0.504 38.964 38.487 -0.044 0.000 1.004 118 N HN 0.057 nan 8.380 nan 0.000 0.499 119 L N 1.803 123.021 121.223 -0.008 0.000 2.480 119 L HA 0.134 4.474 4.340 0.000 0.000 0.243 119 L C 1.367 178.246 176.870 0.015 0.000 1.315 119 L CA -0.094 54.752 54.840 0.010 0.000 1.231 119 L CB -0.469 41.605 42.059 0.025 0.000 1.444 119 L HN 0.273 nan 8.230 nan 0.000 0.409 120 T N -3.709 110.850 114.554 0.010 0.000 3.118 120 T HA -0.065 4.285 4.350 0.000 0.000 0.260 120 T C 1.383 176.092 174.700 0.014 0.000 1.139 120 T CA 0.446 62.551 62.100 0.010 0.000 1.085 120 T CB -0.055 68.816 68.868 0.005 0.000 0.934 120 T HN 0.379 nan 8.240 nan 0.000 0.518 121 K N 0.575 120.986 120.400 0.019 0.000 2.444 121 K HA 0.301 4.621 4.320 0.000 0.000 0.193 121 K C 0.186 176.801 176.600 0.024 0.000 1.024 121 K CA -0.125 56.175 56.287 0.020 0.000 1.077 121 K CB -0.043 32.471 32.500 0.022 0.000 0.833 121 K HN 0.402 nan 8.250 nan 0.000 0.517 122 L N 1.345 122.585 121.223 0.027 0.000 2.410 122 L HA -0.003 4.337 4.340 0.000 0.000 0.273 122 L C 1.085 177.970 176.870 0.026 0.000 1.144 122 L CA -0.222 54.637 54.840 0.032 0.000 0.863 122 L CB 1.136 43.219 42.059 0.040 0.000 1.140 122 L HN -0.092 nan 8.230 nan 0.000 0.463 123 V N 1.459 121.388 119.914 0.025 0.000 3.570 123 V HA 0.140 4.260 4.120 0.000 0.000 0.257 123 V C -0.173 175.936 176.094 0.025 0.000 1.272 123 V CA 0.425 62.738 62.300 0.022 0.000 1.079 123 V CB 0.598 32.432 31.823 0.018 0.000 0.829 123 V HN 0.811 nan 8.190 nan 0.000 0.454 124 D N -0.623 119.794 120.400 0.028 0.000 2.966 124 D HA 0.541 5.181 4.640 0.000 0.000 0.222 124 D C -1.313 175.009 176.300 0.037 0.000 1.292 124 D CA -0.195 53.822 54.000 0.029 0.000 0.907 124 D CB 1.714 42.527 40.800 0.020 0.000 1.621 124 D HN 0.029 nan 8.370 nan 0.000 0.557 125 I N 3.922 124.518 120.570 0.044 0.000 2.534 125 I HA 0.362 4.532 4.170 0.000 0.000 0.288 125 I C -0.976 175.170 176.117 0.048 0.000 1.077 125 I CA -0.805 60.530 61.300 0.058 0.000 1.051 125 I CB 1.822 39.861 38.000 0.065 0.000 1.234 125 I HN 0.263 nan 8.210 nan 0.000 0.425 126 L N 6.920 128.168 121.223 0.041 0.000 2.319 126 L HA 0.553 4.893 4.340 0.000 0.000 0.281 126 L C 0.119 177.003 176.870 0.024 0.000 1.005 126 L CA -0.161 54.688 54.840 0.015 0.000 0.828 126 L CB 1.673 43.731 42.059 -0.002 0.000 1.227 126 L HN 0.665 nan 8.230 nan 0.000 0.415 127 M N 2.920 122.507 119.600 -0.021 0.000 3.340 127 M HA 0.093 4.573 4.480 0.000 0.000 0.471 127 M C -0.175 176.049 176.300 -0.126 0.000 1.550 127 M CA -0.295 54.995 55.300 -0.017 0.000 0.754 127 M CB 0.627 33.237 32.600 0.017 0.000 1.485 127 M HN 0.671 nan 8.290 nan 0.000 0.530 128 N N 0.730 119.259 118.700 -0.285 0.000 2.453 128 N HA -0.042 4.699 4.740 0.000 0.000 0.253 128 N C -0.073 175.240 175.510 -0.328 0.000 1.252 128 N CA 0.462 53.191 53.050 -0.535 0.000 0.917 128 N CB 0.428 38.065 38.487 -1.416 0.000 1.117 128 N HN 0.256 nan 8.380 nan 0.000 0.442 129 N N 0.556 119.101 118.700 -0.258 0.000 2.699 129 N HA -0.152 4.588 4.740 0.000 0.000 0.257 129 N C -1.236 174.233 175.510 -0.069 0.000 1.077 129 N CA 0.470 53.450 53.050 -0.117 0.000 0.702 129 N CB -0.837 37.594 38.487 -0.093 0.000 0.886 129 N HN 0.697 nan 8.380 nan 0.000 0.549 130 N N 0.253 118.918 118.700 -0.058 0.000 3.201 130 N HA 0.324 5.064 4.740 0.000 0.000 0.344 130 N C -0.129 175.367 175.510 -0.023 0.000 1.465 130 N CA -0.320 52.710 53.050 -0.034 0.000 0.731 130 N CB 0.399 38.865 38.487 -0.035 0.000 1.677 130 N HN 0.203 nan 8.380 nan 0.000 0.631 131 Q N 0.703 120.491 119.800 -0.020 0.000 2.490 131 Q HA 0.469 4.809 4.340 0.000 0.000 0.397 131 Q C -0.665 175.325 176.000 -0.016 0.000 0.937 131 Q CA -0.091 55.703 55.803 -0.013 0.000 1.108 131 Q CB 0.334 29.066 28.738 -0.010 0.000 1.336 131 Q HN 0.392 nan 8.270 nan 0.000 0.410 132 I N 0.193 120.751 120.570 -0.019 0.000 2.395 132 I HA 0.252 4.422 4.170 0.000 0.000 0.289 132 I C 0.744 176.854 176.117 -0.013 0.000 1.023 132 I CA -0.071 61.216 61.300 -0.021 0.000 1.350 132 I CB 1.545 39.529 38.000 -0.026 0.000 1.409 132 I HN 0.334 nan 8.210 nan 0.000 0.507 133 A N 3.758 126.570 122.820 -0.013 0.000 2.026 133 A HA 0.146 4.466 4.320 0.000 0.000 0.198 133 A C 0.397 177.975 177.584 -0.010 0.000 1.390 133 A CA 0.222 52.254 52.037 -0.009 0.000 0.915 133 A CB 0.255 19.250 19.000 -0.009 0.000 0.974 133 A HN 0.612 nan 8.150 nan 0.000 0.477 134 D N 0.445 120.836 120.400 -0.015 0.000 2.381 134 D HA 0.453 5.093 4.640 0.000 0.000 0.235 134 D C 0.410 176.699 176.300 -0.018 0.000 1.068 134 D CA -0.403 53.588 54.000 -0.016 0.000 0.832 134 D CB 0.905 41.695 40.800 -0.018 0.000 1.101 134 D HN 0.394 nan 8.370 nan 0.000 0.515 135 I N 0.390 120.951 120.570 -0.014 0.000 3.974 135 I HA 0.165 4.335 4.170 0.000 0.000 0.334 135 I C 1.052 177.161 176.117 -0.013 0.000 1.437 135 I CA -0.421 60.871 61.300 -0.013 0.000 1.113 135 I CB 0.308 38.304 38.000 -0.007 0.000 1.063 135 I HN 0.044 nan 8.210 nan 0.000 0.400 136 T N 2.461 117.006 114.554 -0.015 0.000 2.721 136 T HA -0.090 4.260 4.350 0.000 0.000 0.268 136 T C -0.485 174.205 174.700 -0.017 0.000 1.038 136 T CA 1.924 64.014 62.100 -0.016 0.000 1.145 136 T CB -1.346 67.511 68.868 -0.017 0.000 0.858 136 T HN 0.380 nan 8.240 nan 0.000 0.459 137 P HA 0.044 nan 4.420 nan 0.000 0.226 137 P C 1.073 178.362 177.300 -0.018 0.000 1.146 137 P CA 0.766 63.852 63.100 -0.024 0.000 0.773 137 P CB -0.251 31.430 31.700 -0.033 0.000 0.772 138 L N -2.026 119.190 121.223 -0.012 0.000 2.558 138 L HA 0.139 4.479 4.340 0.000 0.000 0.225 138 L C 2.197 179.065 176.870 -0.003 0.000 1.128 138 L CA 0.339 55.176 54.840 -0.004 0.000 0.868 138 L CB -0.652 41.407 42.059 0.000 0.000 1.006 138 L HN -0.050 nan 8.230 nan 0.000 0.454 139 A N 0.030 122.846 122.820 -0.007 0.000 2.019 139 A HA -0.178 4.142 4.320 0.000 0.000 0.219 139 A C 1.890 179.472 177.584 -0.004 0.000 1.164 139 A CA 1.480 53.513 52.037 -0.006 0.000 0.644 139 A CB -0.291 18.703 19.000 -0.009 0.000 0.805 139 A HN 0.408 nan 8.150 nan 0.000 0.449 140 N N -0.519 118.179 118.700 -0.005 0.000 2.200 140 N HA 0.203 4.943 4.740 0.000 0.000 0.224 140 N C -0.281 175.229 175.510 -0.000 0.000 1.179 140 N CA -0.040 53.008 53.050 -0.004 0.000 0.877 140 N CB 0.334 38.817 38.487 -0.007 0.000 1.072 140 N HN 0.364 nan 8.380 nan 0.000 0.519 141 L N 1.345 122.569 121.223 0.002 0.000 2.583 141 L HA 0.129 4.469 4.340 0.000 0.000 0.239 141 L C 1.527 178.403 176.870 0.009 0.000 1.347 141 L CA -0.050 54.794 54.840 0.007 0.000 1.246 141 L CB -0.021 42.044 42.059 0.011 0.000 1.496 141 L HN -0.065 nan 8.230 nan 0.000 0.413 142 T N -0.238 114.320 114.554 0.007 0.000 2.881 142 T HA -0.116 4.235 4.350 0.000 0.000 0.270 142 T C 1.640 176.345 174.700 0.010 0.000 1.068 142 T CA 1.256 63.361 62.100 0.007 0.000 1.131 142 T CB -0.091 68.779 68.868 0.005 0.000 0.871 142 T HN 0.460 nan 8.240 nan 0.000 0.479 143 N N 0.940 119.647 118.700 0.011 0.000 2.467 143 N HA 0.116 4.856 4.740 0.000 0.000 0.184 143 N C 0.199 175.718 175.510 0.016 0.000 1.106 143 N CA 0.064 53.122 53.050 0.013 0.000 0.892 143 N CB -0.122 38.373 38.487 0.013 0.000 0.969 143 N HN 0.430 nan 8.380 nan 0.000 0.454 144 L N 1.266 122.500 121.223 0.018 0.000 2.540 144 L HA -0.028 4.312 4.340 0.000 0.000 0.276 144 L C 1.708 178.591 176.870 0.021 0.000 1.212 144 L CA 0.259 55.112 54.840 0.021 0.000 0.893 144 L CB 0.522 42.596 42.059 0.024 0.000 1.138 144 L HN 0.158 nan 8.230 nan 0.000 0.491 145 T N -1.796 112.772 114.554 0.023 0.000 2.969 145 T HA 0.226 4.576 4.350 0.000 0.000 0.250 145 T C 0.623 175.340 174.700 0.028 0.000 1.021 145 T CA 0.271 62.385 62.100 0.023 0.000 1.003 145 T CB 0.562 69.442 68.868 0.019 0.000 1.040 145 T HN 0.622 nan 8.240 nan 0.000 0.492 146 G N 1.365 110.184 108.800 0.032 0.000 2.707 146 G HA2 0.624 4.584 3.960 0.000 0.000 0.299 146 G HA3 0.624 4.584 3.960 0.000 0.000 0.299 146 G C -2.028 172.900 174.900 0.046 0.000 1.442 146 G CA -0.629 44.494 45.100 0.040 0.000 1.009 146 G HN 0.325 nan 8.290 nan 0.000 0.515 147 L N 1.925 123.182 121.223 0.057 0.000 2.491 147 L HA 0.678 5.018 4.340 0.000 0.000 0.267 147 L C -0.495 176.424 176.870 0.082 0.000 0.971 147 L CA -0.359 54.516 54.840 0.059 0.000 0.857 147 L CB 2.138 44.227 42.059 0.050 0.000 1.226 147 L HN 0.367 nan 8.230 nan 0.000 0.408 148 T N 6.764 121.365 114.554 0.077 0.000 2.821 148 T HA 0.475 4.825 4.350 0.000 0.000 0.307 148 T C 0.660 175.381 174.700 0.035 0.000 1.034 148 T CA -0.041 62.125 62.100 0.111 0.000 0.953 148 T CB 0.524 69.458 68.868 0.110 0.000 0.968 148 T HN 0.531 nan 8.240 nan 0.000 0.462 149 L N 3.288 124.561 121.223 0.083 0.000 3.168 149 L HA 0.403 4.743 4.340 0.000 0.000 0.277 149 L C 0.168 177.061 176.870 0.040 0.000 1.245 149 L CA -0.633 54.219 54.840 0.019 0.000 1.035 149 L CB -0.109 41.976 42.059 0.044 0.000 1.399 149 L HN 0.609 nan 8.230 nan 0.000 0.580 150 F N -1.822 118.150 119.950 0.036 0.000 2.450 150 F HA 0.320 4.847 4.527 0.000 0.000 0.339 150 F C 1.201 177.018 175.800 0.028 0.000 1.146 150 F CA -0.659 57.361 58.000 0.034 0.000 1.267 150 F CB 0.159 39.178 39.000 0.031 0.000 1.178 150 F HN 0.021 nan 8.300 nan 0.000 0.585 151 N N 2.115 120.916 118.700 0.168 0.000 2.746 151 N HA -0.233 4.507 4.740 0.000 0.000 0.250 151 N C -1.132 174.384 175.510 0.010 0.000 1.055 151 N CA 0.420 53.514 53.050 0.075 0.000 0.699 151 N CB -0.878 37.654 38.487 0.075 0.000 0.919 151 N HN 0.843 nan 8.380 nan 0.000 0.548 152 N N 0.222 118.935 118.700 0.021 0.000 3.184 152 N HA 0.362 5.102 4.740 0.000 0.000 0.353 152 N C -0.199 175.322 175.510 0.018 0.000 1.441 152 N CA -0.227 52.826 53.050 0.004 0.000 0.723 152 N CB 0.241 38.725 38.487 -0.005 0.000 1.547 152 N HN 0.192 nan 8.380 nan 0.000 0.624 153 Q N 0.736 120.543 119.800 0.011 0.000 2.773 153 Q HA 0.508 4.848 4.340 0.000 0.000 0.373 153 Q C -0.710 175.296 176.000 0.012 0.000 0.940 153 Q CA -0.036 55.776 55.803 0.014 0.000 1.015 153 Q CB 0.478 29.222 28.738 0.009 0.000 1.349 153 Q HN 0.388 nan 8.270 nan 0.000 0.413 154 I N 0.039 120.619 120.570 0.017 0.000 2.472 154 I HA 0.199 4.370 4.170 0.000 0.000 0.290 154 I C 0.726 176.850 176.117 0.011 0.000 1.016 154 I CA 0.107 61.414 61.300 0.012 0.000 1.348 154 I CB 1.680 39.690 38.000 0.016 0.000 1.417 154 I HN 0.367 nan 8.210 nan 0.000 0.521 155 T N 1.369 115.924 114.554 0.002 0.000 3.138 155 T HA 0.036 4.386 4.350 0.000 0.000 0.245 155 T C -0.083 174.610 174.700 -0.012 0.000 0.982 155 T CA 0.159 62.258 62.100 -0.002 0.000 1.134 155 T CB 0.137 69.003 68.868 -0.003 0.000 1.032 155 T HN 0.605 nan 8.240 nan 0.000 0.442 156 D N 1.865 122.258 120.400 -0.012 0.000 2.373 156 D HA 0.276 4.916 4.640 0.000 0.000 0.227 156 D C 0.554 176.843 176.300 -0.018 0.000 1.091 156 D CA -0.653 53.336 54.000 -0.018 0.000 0.840 156 D CB 0.540 41.331 40.800 -0.015 0.000 1.060 156 D HN 0.435 nan 8.370 nan 0.000 0.502 157 I N 0.222 120.777 120.570 -0.026 0.000 4.025 157 I HA 0.355 4.525 4.170 0.000 0.000 0.336 157 I C 1.211 177.313 176.117 -0.026 0.000 1.390 157 I CA -0.401 60.883 61.300 -0.025 0.000 1.099 157 I CB 0.359 38.336 38.000 -0.038 0.000 1.049 157 I HN 0.167 nan 8.210 nan 0.000 0.394 158 D N 3.275 123.660 120.400 -0.026 0.000 2.203 158 D HA -0.155 4.485 4.640 0.000 0.000 0.199 158 D C -0.579 175.711 176.300 -0.017 0.000 0.997 158 D CA 1.875 55.861 54.000 -0.022 0.000 0.863 158 D CB -0.653 40.134 40.800 -0.020 0.000 0.928 158 D HN 0.298 nan 8.370 nan 0.000 0.458 159 P HA -0.060 nan 4.420 nan 0.000 0.231 159 P C 0.956 178.252 177.300 -0.007 0.000 1.158 159 P CA 0.703 63.797 63.100 -0.010 0.000 0.763 159 P CB -0.042 31.652 31.700 -0.010 0.000 0.805 160 L N -0.344 120.874 121.223 -0.008 0.000 2.341 160 L HA -0.028 4.312 4.340 0.000 0.000 0.214 160 L C 2.336 179.203 176.870 -0.005 0.000 1.115 160 L CA 0.879 55.717 54.840 -0.004 0.000 0.820 160 L CB -0.812 41.244 42.059 -0.005 0.000 0.944 160 L HN 0.119 nan 8.230 nan 0.000 0.452 161 K N -0.058 120.337 120.400 -0.009 0.000 2.113 161 K HA -0.195 4.125 4.320 0.000 0.000 0.208 161 K C 1.383 177.980 176.600 -0.005 0.000 1.047 161 K CA 1.832 58.114 56.287 -0.010 0.000 0.928 161 K CB -0.326 32.167 32.500 -0.012 0.000 0.716 161 K HN 0.213 nan 8.250 nan 0.000 0.446 162 N N 0.781 119.479 118.700 -0.003 0.000 2.412 162 N HA 0.060 4.800 4.740 0.000 0.000 0.184 162 N C 0.215 175.726 175.510 0.002 0.000 1.101 162 N CA 0.407 53.456 53.050 -0.001 0.000 0.881 162 N CB 0.142 38.628 38.487 -0.002 0.000 0.969 162 N HN 0.230 nan 8.380 nan 0.000 0.459 163 L N 2.049 123.275 121.223 0.004 0.000 2.697 163 L HA 0.058 4.398 4.340 0.000 0.000 0.239 163 L C 1.412 178.288 176.870 0.010 0.000 1.430 163 L CA 0.054 54.898 54.840 0.008 0.000 1.193 163 L CB -1.093 40.972 42.059 0.011 0.000 1.516 163 L HN 0.111 nan 8.230 nan 0.000 0.439 164 T N -4.470 110.089 114.554 0.008 0.000 3.072 164 T HA -0.067 4.283 4.350 0.000 0.000 0.266 164 T C 1.401 176.107 174.700 0.011 0.000 1.127 164 T CA 0.435 62.540 62.100 0.008 0.000 1.107 164 T CB -0.111 68.761 68.868 0.006 0.000 0.910 164 T HN 0.390 nan 8.240 nan 0.000 0.513 165 N N 1.039 119.745 118.700 0.011 0.000 2.467 165 N HA 0.160 4.900 4.740 0.000 0.000 0.184 165 N C 0.384 175.903 175.510 0.016 0.000 1.106 165 N CA 0.025 53.083 53.050 0.013 0.000 0.892 165 N CB -0.206 38.289 38.487 0.012 0.000 0.969 165 N HN 0.464 nan 8.380 nan 0.000 0.454 166 L N 2.803 124.038 121.223 0.018 0.000 2.628 166 L HA -0.060 4.280 4.340 0.000 0.000 0.274 166 L C 1.505 178.389 176.870 0.024 0.000 1.209 166 L CA 0.231 55.086 54.840 0.024 0.000 0.930 166 L CB 0.254 42.329 42.059 0.026 0.000 1.183 166 L HN 0.333 nan 8.230 nan 0.000 0.492 167 N N 3.983 122.698 118.700 0.025 0.000 2.220 167 N HA 0.036 4.776 4.740 0.000 0.000 0.195 167 N C 0.448 175.975 175.510 0.029 0.000 1.123 167 N CA -0.341 52.724 53.050 0.025 0.000 0.874 167 N CB 0.980 39.478 38.487 0.019 0.000 0.995 167 N HN 0.525 nan 8.380 nan 0.000 0.498 168 R N 0.820 121.341 120.500 0.036 0.000 2.538 168 R HA 0.441 4.781 4.340 0.000 0.000 0.292 168 R C -2.180 174.154 176.300 0.057 0.000 1.008 168 R CA -0.594 55.532 56.100 0.043 0.000 0.896 168 R CB 1.714 32.038 30.300 0.040 0.000 1.187 168 R HN 0.152 nan 8.270 nan 0.000 0.440 169 L N 2.484 123.748 121.223 0.069 0.000 2.482 169 L HA 0.515 4.855 4.340 0.000 0.000 0.263 169 L C -1.772 175.165 176.870 0.111 0.000 0.957 169 L CA -0.166 54.727 54.840 0.088 0.000 0.836 169 L CB 2.426 44.534 42.059 0.081 0.000 1.324 169 L HN 0.688 nan 8.230 nan 0.000 0.406 170 E N 5.041 125.331 120.200 0.151 0.000 2.244 170 E HA 0.555 4.905 4.350 0.000 0.000 0.260 170 E C -0.665 176.085 176.600 0.250 0.000 0.884 170 E CA -0.072 56.445 56.400 0.195 0.000 0.777 170 E CB 1.712 31.586 29.700 0.291 0.000 1.197 170 E HN 0.666 nan 8.360 nan 0.000 0.416 171 L N 1.642 122.998 121.223 0.222 0.000 3.431 171 L HA 0.280 4.620 4.340 0.000 0.000 0.316 171 L C -0.088 176.914 176.870 0.220 0.000 1.305 171 L CA -0.200 54.771 54.840 0.217 0.000 0.995 171 L CB 0.936 43.097 42.059 0.171 0.000 1.411 171 L HN 0.334 nan 8.230 nan 0.000 0.610 172 S N -0.106 115.718 115.700 0.207 0.000 2.569 172 S HA 0.091 4.561 4.470 0.000 0.000 0.274 172 S C 1.012 175.719 174.600 0.178 0.000 1.353 172 S CA 0.142 58.426 58.200 0.139 0.000 1.023 172 S CB 0.714 63.920 63.200 0.011 0.000 0.876 172 S HN 0.419 nan 8.310 nan 0.000 0.540 173 S N 1.696 117.469 115.700 0.122 0.000 3.797 173 S HA -0.120 4.350 4.470 0.000 0.000 0.374 173 S C -0.055 174.608 174.600 0.105 0.000 0.970 173 S CA 0.335 58.602 58.200 0.112 0.000 1.177 173 S CB -1.377 61.906 63.200 0.138 0.000 0.891 173 S HN 0.713 nan 8.310 nan 0.000 0.491 174 N N 0.034 118.789 118.700 0.092 0.000 3.439 174 N HA 0.565 5.305 4.740 0.000 0.000 0.343 174 N C 0.049 175.591 175.510 0.054 0.000 1.597 174 N CA 0.006 53.097 53.050 0.068 0.000 0.733 174 N CB 1.158 39.688 38.487 0.072 0.000 1.973 174 N HN 0.344 nan 8.380 nan 0.000 0.646 175 T N -1.187 113.390 114.554 0.038 0.000 3.438 175 T HA 0.530 4.880 4.350 0.000 0.000 0.244 175 T C -0.052 174.660 174.700 0.020 0.000 1.269 175 T CA -0.387 61.731 62.100 0.030 0.000 1.371 175 T CB -1.354 67.527 68.868 0.021 0.000 1.002 175 T HN 0.277 nan 8.240 nan 0.000 0.637 176 I N 2.390 122.975 120.570 0.024 0.000 2.325 176 I HA 0.283 4.453 4.170 0.000 0.000 0.291 176 I C 1.412 177.525 176.117 -0.006 0.000 1.019 176 I CA -0.612 60.687 61.300 -0.003 0.000 1.302 176 I CB 1.592 39.579 38.000 -0.021 0.000 1.401 176 I HN 0.540 nan 8.210 nan 0.000 0.485 177 S N 2.441 118.129 115.700 -0.021 0.000 2.497 177 S HA 0.101 4.571 4.470 0.000 0.000 0.221 177 S C 0.374 174.947 174.600 -0.047 0.000 1.037 177 S CA -0.149 58.039 58.200 -0.019 0.000 0.920 177 S CB 0.294 63.487 63.200 -0.011 0.000 0.800 177 S HN 0.665 nan 8.310 nan 0.000 0.505 178 D N 1.493 121.852 120.400 -0.069 0.000 2.549 178 D HA 0.337 4.977 4.640 0.000 0.000 0.251 178 D C 0.271 176.492 176.300 -0.133 0.000 1.153 178 D CA -0.641 53.308 54.000 -0.084 0.000 0.861 178 D CB 1.693 42.459 40.800 -0.056 0.000 1.207 178 D HN 0.406 nan 8.370 nan 0.000 0.543 179 I N 0.776 121.237 120.570 -0.182 0.000 3.891 179 I HA 0.131 4.301 4.170 0.000 0.000 0.331 179 I C 1.028 177.061 176.117 -0.140 0.000 1.406 179 I CA -0.371 60.789 61.300 -0.233 0.000 1.139 179 I CB 0.155 37.880 38.000 -0.458 0.000 1.056 179 I HN 0.004 nan 8.210 nan 0.000 0.399 180 S N 2.092 117.737 115.700 -0.091 0.000 2.420 180 S HA -0.186 4.284 4.470 0.000 0.000 0.237 180 S C 2.106 176.675 174.600 -0.052 0.000 1.023 180 S CA 1.460 59.625 58.200 -0.059 0.000 0.991 180 S CB -0.380 62.795 63.200 -0.042 0.000 0.792 180 S HN 0.727 nan 8.310 nan 0.000 0.488 181 A N 0.999 123.784 122.820 -0.059 0.000 2.209 181 A HA 0.260 4.580 4.320 0.000 0.000 0.212 181 A C 1.823 179.383 177.584 -0.040 0.000 1.158 181 A CA 0.464 52.475 52.037 -0.043 0.000 0.742 181 A CB -0.581 18.394 19.000 -0.041 0.000 0.790 181 A HN 0.524 nan 8.150 nan 0.000 0.472 182 L N 0.168 121.359 121.223 -0.054 0.000 2.558 182 L HA -0.037 4.303 4.340 0.000 0.000 0.225 182 L C 2.560 179.419 176.870 -0.018 0.000 1.128 182 L CA 0.833 55.651 54.840 -0.036 0.000 0.868 182 L CB -0.371 41.655 42.059 -0.054 0.000 1.006 182 L HN 0.496 nan 8.230 nan 0.000 0.454 183 S N 0.273 115.960 115.700 -0.021 0.000 2.399 183 S HA -0.122 4.348 4.470 0.000 0.000 0.231 183 S C 1.783 176.381 174.600 -0.004 0.000 1.022 183 S CA 1.137 59.330 58.200 -0.011 0.000 0.983 183 S CB -0.651 62.540 63.200 -0.014 0.000 0.803 183 S HN 0.437 nan 8.310 nan 0.000 0.480 184 G N 0.445 109.243 108.800 -0.004 0.000 3.284 184 G HA2 0.402 4.362 3.960 0.000 0.000 0.236 184 G HA3 0.402 4.362 3.960 0.000 0.000 0.236 184 G C 0.464 175.366 174.900 0.004 0.000 1.158 184 G CA -0.434 44.666 45.100 -0.000 0.000 0.774 184 G HN 0.489 nan 8.290 nan 0.000 0.545 185 L N 2.773 123.999 121.223 0.006 0.000 2.873 185 L HA 0.115 4.455 4.340 0.000 0.000 0.236 185 L C 1.589 178.468 176.870 0.015 0.000 1.375 185 L CA 0.010 54.857 54.840 0.011 0.000 1.239 185 L CB -0.453 41.614 42.059 0.014 0.000 1.603 185 L HN 0.212 nan 8.230 nan 0.000 0.430 186 T N -5.542 109.020 114.554 0.012 0.000 3.317 186 T HA 0.019 4.369 4.350 0.000 0.000 0.250 186 T C 1.322 176.029 174.700 0.013 0.000 1.106 186 T CA 0.013 62.120 62.100 0.012 0.000 0.986 186 T CB 0.161 69.035 68.868 0.009 0.000 1.010 186 T HN 0.220 nan 8.240 nan 0.000 0.560 187 S N 0.295 116.004 115.700 0.014 0.000 2.539 187 S HA 0.388 4.858 4.470 0.000 0.000 0.221 187 S C 0.559 175.170 174.600 0.018 0.000 0.987 187 S CA -0.539 57.670 58.200 0.014 0.000 0.929 187 S CB -0.087 63.120 63.200 0.013 0.000 0.832 187 S HN 0.503 nan 8.310 nan 0.000 0.492 188 L N 1.991 123.228 121.223 0.022 0.000 2.490 188 L HA 0.061 4.401 4.340 0.000 0.000 0.274 188 L C 1.239 178.123 176.870 0.024 0.000 1.201 188 L CA 0.467 55.324 54.840 0.027 0.000 0.869 188 L CB 0.550 42.631 42.059 0.037 0.000 1.123 188 L HN 0.274 nan 8.230 nan 0.000 0.484 189 Q N 1.363 121.176 119.800 0.022 0.000 2.422 189 Q HA 0.150 4.490 4.340 0.000 0.000 0.255 189 Q C -0.350 175.658 176.000 0.015 0.000 0.864 189 Q CA 0.195 56.008 55.803 0.016 0.000 0.968 189 Q CB 0.849 29.594 28.738 0.012 0.000 1.130 189 Q HN 0.599 nan 8.270 nan 0.000 0.556 190 Q N 0.812 120.624 119.800 0.020 0.000 2.310 190 Q HA 0.598 4.938 4.340 0.000 0.000 0.270 190 Q C -1.861 174.157 176.000 0.029 0.000 1.025 190 Q CA -0.387 55.425 55.803 0.015 0.000 0.772 190 Q CB 2.582 31.327 28.738 0.011 0.000 1.253 190 Q HN 0.002 nan 8.270 nan 0.000 0.450 191 L N 1.545 122.782 121.223 0.023 0.000 2.528 191 L HA 0.623 4.963 4.340 0.000 0.000 0.267 191 L C -1.597 175.281 176.870 0.013 0.000 0.961 191 L CA 0.032 54.907 54.840 0.058 0.000 0.866 191 L CB 2.245 44.373 42.059 0.114 0.000 1.248 191 L HN 0.530 nan 8.230 nan 0.000 0.404 192 S N 4.037 119.754 115.700 0.029 0.000 2.513 192 S HA 0.825 5.295 4.470 0.000 0.000 0.299 192 S C -0.616 174.048 174.600 0.107 0.000 1.087 192 S CA -0.389 57.779 58.200 -0.052 0.000 1.012 192 S CB 0.807 63.944 63.200 -0.106 0.000 1.044 192 S HN 0.573 nan 8.310 nan 0.000 0.485 193 F N 1.505 121.449 119.950 -0.011 0.000 2.481 193 F HA 0.400 4.927 4.527 0.000 0.000 0.386 193 F C 0.159 175.956 175.800 -0.005 0.000 1.454 193 F CA -0.909 57.094 58.000 0.004 0.000 1.092 193 F CB -0.725 38.283 39.000 0.012 0.000 1.346 193 F HN 0.395 nan 8.300 nan 0.000 0.511 194 S N -0.173 115.460 115.700 -0.112 0.000 2.566 194 S HA 0.309 4.779 4.470 0.000 0.000 0.280 194 S C 0.771 175.374 174.600 0.004 0.000 1.343 194 S CA 0.321 58.462 58.200 -0.098 0.000 1.036 194 S CB 0.742 63.866 63.200 -0.127 0.000 0.866 194 S HN 0.804 nan 8.310 nan 0.000 0.526 195 S N 1.980 117.685 115.700 0.009 0.000 3.711 195 S HA -0.123 4.347 4.470 0.000 0.000 0.374 195 S C -0.019 174.622 174.600 0.069 0.000 0.969 195 S CA 0.678 58.899 58.200 0.035 0.000 1.198 195 S CB -2.058 61.158 63.200 0.026 0.000 0.903 195 S HN 0.843 nan 8.310 nan 0.000 0.493 196 N N 0.692 119.450 118.700 0.097 0.000 3.455 196 N HA 0.407 5.147 4.740 0.000 0.000 0.358 196 N C -0.355 175.207 175.510 0.086 0.000 1.580 196 N CA -0.644 52.467 53.050 0.102 0.000 0.692 196 N CB 0.597 39.175 38.487 0.153 0.000 1.978 196 N HN 0.396 nan 8.380 nan 0.000 0.651 197 Q N 0.722 120.568 119.800 0.076 0.000 2.563 197 Q HA 0.315 4.655 4.340 0.000 0.000 0.367 197 Q C -1.097 174.936 176.000 0.054 0.000 0.845 197 Q CA -0.187 55.650 55.803 0.056 0.000 1.077 197 Q CB 0.432 29.191 28.738 0.034 0.000 1.409 197 Q HN 0.123 nan 8.270 nan 0.000 0.396 198 V N 2.039 122.010 119.914 0.094 0.000 2.368 198 V HA 0.143 4.263 4.120 0.000 0.000 0.266 198 V C 1.424 177.579 176.094 0.103 0.000 1.045 198 V CA 0.482 62.831 62.300 0.082 0.000 0.899 198 V CB 1.042 32.920 31.823 0.092 0.000 1.006 198 V HN 0.598 nan 8.190 nan 0.000 0.470 199 T N 0.119 114.707 114.554 0.056 0.000 3.037 199 T HA 0.047 4.397 4.350 0.000 0.000 0.252 199 T C 0.542 175.270 174.700 0.047 0.000 1.073 199 T CA 0.298 62.428 62.100 0.050 0.000 1.091 199 T CB 0.125 69.011 68.868 0.029 0.000 0.935 199 T HN 0.525 nan 8.240 nan 0.000 0.488 200 D N 1.059 121.480 120.400 0.035 0.000 2.454 200 D HA 0.303 4.943 4.640 0.000 0.000 0.225 200 D C 0.663 176.980 176.300 0.028 0.000 1.081 200 D CA -0.557 53.456 54.000 0.023 0.000 0.864 200 D CB 0.757 41.558 40.800 0.002 0.000 1.040 200 D HN 0.326 nan 8.370 nan 0.000 0.517 201 L N 3.198 124.452 121.223 0.052 0.000 2.592 201 L HA 0.138 4.478 4.340 0.000 0.000 0.227 201 L C 2.193 179.089 176.870 0.043 0.000 1.127 201 L CA -0.147 54.739 54.840 0.076 0.000 0.884 201 L CB 0.057 42.184 42.059 0.114 0.000 1.065 201 L HN 0.221 nan 8.230 nan 0.000 0.457 202 K N 0.998 121.411 120.400 0.022 0.000 2.097 202 K HA -0.225 4.095 4.320 0.000 0.000 0.214 202 K C -0.534 176.070 176.600 0.006 0.000 1.052 202 K CA 1.896 58.190 56.287 0.012 0.000 0.932 202 K CB -1.238 31.265 32.500 0.005 0.000 0.716 202 K HN 0.275 nan 8.250 nan 0.000 0.455 203 P HA -0.126 nan 4.420 nan 0.000 0.226 203 P C 0.676 177.976 177.300 -0.001 0.000 1.146 203 P CA 1.008 64.099 63.100 -0.015 0.000 0.773 203 P CB -0.022 31.652 31.700 -0.044 0.000 0.772 204 L N -1.811 119.426 121.223 0.022 0.000 2.478 204 L HA -0.008 4.332 4.340 0.000 0.000 0.223 204 L C 2.356 179.244 176.870 0.030 0.000 1.140 204 L CA 0.572 55.437 54.840 0.042 0.000 0.842 204 L CB -0.971 41.134 42.059 0.077 0.000 0.953 204 L HN -0.031 nan 8.230 nan 0.000 0.452 205 A N 0.858 123.690 122.820 0.020 0.000 1.917 205 A HA -0.244 4.076 4.320 0.000 0.000 0.219 205 A C 1.871 179.463 177.584 0.014 0.000 1.182 205 A CA 2.195 54.241 52.037 0.016 0.000 0.633 205 A CB -0.486 18.521 19.000 0.011 0.000 0.819 205 A HN 0.431 nan 8.150 nan 0.000 0.448 206 N N -0.448 118.259 118.700 0.012 0.000 2.322 206 N HA 0.173 4.913 4.740 0.000 0.000 0.194 206 N C 0.064 175.582 175.510 0.013 0.000 1.126 206 N CA 0.198 53.254 53.050 0.010 0.000 0.845 206 N CB 0.009 38.500 38.487 0.007 0.000 0.976 206 N HN 0.465 nan 8.380 nan 0.000 0.475 207 L N 0.919 122.153 121.223 0.018 0.000 2.934 207 L HA 0.174 4.514 4.340 0.000 0.000 0.233 207 L C 1.247 178.129 176.870 0.019 0.000 1.358 207 L CA -0.105 54.748 54.840 0.021 0.000 1.233 207 L CB -0.748 41.329 42.059 0.031 0.000 1.594 207 L HN 0.098 nan 8.230 nan 0.000 0.439 208 T N -4.842 109.721 114.554 0.014 0.000 3.025 208 T HA -0.152 4.198 4.350 0.000 0.000 0.270 208 T C 1.795 176.502 174.700 0.011 0.000 1.126 208 T CA 1.319 63.426 62.100 0.012 0.000 1.105 208 T CB -0.493 68.380 68.868 0.009 0.000 0.884 208 T HN 0.559 nan 8.240 nan 0.000 0.522 209 T N 0.106 114.667 114.554 0.012 0.000 3.072 209 T HA 0.243 4.594 4.350 0.000 0.000 0.266 209 T C 0.802 175.510 174.700 0.012 0.000 1.127 209 T CA -0.192 61.914 62.100 0.011 0.000 1.107 209 T CB -0.658 68.217 68.868 0.012 0.000 0.910 209 T HN 0.369 nan 8.240 nan 0.000 0.513 210 L N 1.595 122.827 121.223 0.015 0.000 2.490 210 L HA 0.128 4.468 4.340 0.000 0.000 0.274 210 L C 1.362 178.237 176.870 0.007 0.000 1.201 210 L CA 0.444 55.294 54.840 0.015 0.000 0.869 210 L CB 0.548 42.621 42.059 0.023 0.000 1.123 210 L HN 0.247 nan 8.230 nan 0.000 0.484 211 E N 2.223 122.425 120.200 0.003 0.000 2.441 211 E HA 0.183 4.533 4.350 0.000 0.000 0.212 211 E C -0.334 176.259 176.600 -0.011 0.000 0.840 211 E CA 0.010 56.408 56.400 -0.003 0.000 1.143 211 E CB 0.784 30.482 29.700 -0.003 0.000 1.153 211 E HN 0.486 nan 8.360 nan 0.000 0.539 212 R N 1.210 121.702 120.500 -0.013 0.000 2.539 212 R HA 0.467 4.808 4.340 0.000 0.000 0.295 212 R C -1.470 174.810 176.300 -0.033 0.000 1.138 212 R CA -0.307 55.778 56.100 -0.026 0.000 0.936 212 R CB 1.952 32.236 30.300 -0.025 0.000 1.182 212 R HN -0.050 nan 8.270 nan 0.000 0.459 213 L N 2.234 123.426 121.223 -0.052 0.000 2.439 213 L HA 0.515 4.855 4.340 0.000 0.000 0.270 213 L C -1.550 175.240 176.870 -0.133 0.000 0.972 213 L CA -0.594 54.200 54.840 -0.077 0.000 0.836 213 L CB 1.952 43.981 42.059 -0.051 0.000 1.255 213 L HN 0.453 nan 8.230 nan 0.000 0.404 214 D N 5.137 125.420 120.400 -0.196 0.000 2.408 214 D HA 0.356 4.996 4.640 0.000 0.000 0.243 214 D C 0.220 176.248 176.300 -0.453 0.000 1.075 214 D CA -0.345 53.508 54.000 -0.246 0.000 0.832 214 D CB 1.604 42.286 40.800 -0.197 0.000 1.162 214 D HN 0.605 nan 8.370 nan 0.000 0.515 215 I N 0.248 120.565 120.570 -0.422 0.000 3.833 215 I HA 0.337 4.507 4.170 0.000 0.000 0.328 215 I C -0.129 175.821 176.117 -0.278 0.000 1.554 215 I CA -0.609 60.364 61.300 -0.544 0.000 1.116 215 I CB 0.450 38.216 38.000 -0.389 0.000 1.182 215 I HN -0.043 nan 8.210 nan 0.000 0.459 216 S N 1.041 116.617 115.700 -0.206 0.000 2.573 216 S HA 0.143 4.613 4.470 0.000 0.000 0.277 216 S C 0.875 175.429 174.600 -0.077 0.000 1.346 216 S CA 0.176 58.306 58.200 -0.117 0.000 1.034 216 S CB 0.578 63.716 63.200 -0.102 0.000 0.879 216 S HN 0.588 nan 8.310 nan 0.000 0.528 217 S N 1.600 117.274 115.700 -0.043 0.000 3.697 217 S HA -0.131 4.339 4.470 0.000 0.000 0.388 217 S C -0.030 174.575 174.600 0.009 0.000 0.941 217 S CA 0.287 58.478 58.200 -0.015 0.000 1.247 217 S CB -1.532 61.660 63.200 -0.013 0.000 0.904 217 S HN 0.747 nan 8.310 nan 0.000 0.518 218 N N 0.554 119.265 118.700 0.017 0.000 3.201 218 N HA 0.357 5.097 4.740 0.000 0.000 0.344 218 N C 0.008 175.542 175.510 0.040 0.000 1.465 218 N CA -0.836 52.246 53.050 0.054 0.000 0.731 218 N CB 0.698 39.245 38.487 0.100 0.000 1.677 218 N HN 0.142 nan 8.380 nan 0.000 0.631 219 K N 0.918 121.347 120.400 0.048 0.000 2.684 219 K HA 0.267 4.587 4.320 0.000 0.000 0.215 219 K C -0.499 176.120 176.600 0.032 0.000 1.073 219 K CA -0.065 56.242 56.287 0.033 0.000 1.197 219 K CB 0.151 32.669 32.500 0.030 0.000 0.955 219 K HN 0.171 nan 8.250 nan 0.000 0.473 220 V N 2.107 122.040 119.914 0.032 0.000 2.427 220 V HA -0.022 4.098 4.120 0.000 0.000 0.268 220 V C 1.151 177.255 176.094 0.017 0.000 1.046 220 V CA 0.187 62.506 62.300 0.032 0.000 0.970 220 V CB 1.037 32.882 31.823 0.036 0.000 1.001 220 V HN 0.374 nan 8.190 nan 0.000 0.476 221 S N 2.366 118.076 115.700 0.017 0.000 2.502 221 S HA 0.097 4.567 4.470 0.000 0.000 0.228 221 S C 0.512 175.118 174.600 0.010 0.000 1.061 221 S CA -0.100 58.106 58.200 0.011 0.000 0.935 221 S CB 0.233 63.439 63.200 0.009 0.000 0.809 221 S HN 0.735 nan 8.310 nan 0.000 0.510 222 D N 1.808 122.217 120.400 0.015 0.000 2.441 222 D HA 0.337 4.977 4.640 0.000 0.000 0.231 222 D C 0.210 176.521 176.300 0.019 0.000 1.073 222 D CA -0.759 53.249 54.000 0.014 0.000 0.850 222 D CB 0.776 41.584 40.800 0.014 0.000 1.062 222 D HN 0.418 nan 8.370 nan 0.000 0.524 223 I N 1.019 121.597 120.570 0.014 0.000 3.889 223 I HA 0.174 4.344 4.170 0.000 0.000 0.332 223 I C 1.162 177.287 176.117 0.013 0.000 1.493 223 I CA -0.425 60.884 61.300 0.014 0.000 1.158 223 I CB 0.084 38.087 38.000 0.005 0.000 1.117 223 I HN 0.129 nan 8.210 nan 0.000 0.411 224 S N 0.586 116.293 115.700 0.013 0.000 2.402 224 S HA -0.207 4.263 4.470 0.000 0.000 0.233 224 S C 1.859 176.467 174.600 0.013 0.000 1.030 224 S CA 1.381 59.587 58.200 0.010 0.000 1.003 224 S CB -0.877 62.328 63.200 0.009 0.000 0.813 224 S HN 0.498 nan 8.310 nan 0.000 0.477 225 V N 2.026 121.951 119.914 0.018 0.000 2.759 225 V HA 0.033 4.153 4.120 0.000 0.000 0.256 225 V C 1.889 177.995 176.094 0.020 0.000 1.080 225 V CA 1.188 63.500 62.300 0.020 0.000 1.101 225 V CB -0.675 31.165 31.823 0.028 0.000 0.698 225 V HN 0.602 nan 8.190 nan 0.000 0.477 226 L N 0.196 121.430 121.223 0.018 0.000 2.275 226 L HA -0.012 4.328 4.340 0.000 0.000 0.215 226 L C 2.756 179.632 176.870 0.008 0.000 1.119 226 L CA 1.144 55.992 54.840 0.014 0.000 0.790 226 L CB -1.055 41.008 42.059 0.008 0.000 0.919 226 L HN 0.432 nan 8.230 nan 0.000 0.443 227 A N 0.780 123.604 122.820 0.007 0.000 2.024 227 A HA -0.216 4.104 4.320 0.000 0.000 0.220 227 A C 2.285 179.873 177.584 0.006 0.000 1.164 227 A CA 1.565 53.605 52.037 0.005 0.000 0.643 227 A CB -0.307 18.696 19.000 0.005 0.000 0.806 227 A HN 0.360 nan 8.150 nan 0.000 0.451 228 K N -0.991 119.414 120.400 0.009 0.000 2.365 228 K HA 0.065 4.385 4.320 0.000 0.000 0.199 228 K C -0.260 176.346 176.600 0.009 0.000 1.045 228 K CA 0.200 56.492 56.287 0.009 0.000 0.962 228 K CB -0.005 32.502 32.500 0.011 0.000 0.759 228 K HN 0.237 nan 8.250 nan 0.000 0.469 229 L N 2.231 123.460 121.223 0.009 0.000 2.583 229 L HA 0.039 4.379 4.340 0.000 0.000 0.239 229 L C 1.122 177.995 176.870 0.005 0.000 1.347 229 L CA 0.776 55.622 54.840 0.009 0.000 1.246 229 L CB -0.858 41.208 42.059 0.012 0.000 1.496 229 L HN 0.180 nan 8.230 nan 0.000 0.413 230 T N -4.045 110.512 114.554 0.004 0.000 3.025 230 T HA -0.098 4.252 4.350 0.000 0.000 0.270 230 T C 1.322 176.022 174.700 0.001 0.000 1.126 230 T CA 0.906 63.007 62.100 0.002 0.000 1.105 230 T CB -0.060 68.809 68.868 0.002 0.000 0.884 230 T HN 0.331 nan 8.240 nan 0.000 0.522 231 N N 0.529 119.229 118.700 0.001 0.000 2.236 231 N HA 0.240 4.980 4.740 0.000 0.000 0.196 231 N C 0.161 175.670 175.510 -0.002 0.000 1.114 231 N CA -0.097 52.953 53.050 0.000 0.000 0.859 231 N CB 0.101 38.590 38.487 0.002 0.000 0.982 231 N HN 0.438 nan 8.380 nan 0.000 0.493 232 L N 1.728 122.949 121.223 -0.003 0.000 2.700 232 L HA -0.102 4.238 4.340 0.000 0.000 0.276 232 L C 1.305 178.169 176.870 -0.010 0.000 1.200 232 L CA 0.571 55.406 54.840 -0.007 0.000 0.951 232 L CB 0.405 42.459 42.059 -0.009 0.000 1.226 232 L HN 0.096 nan 8.230 nan 0.000 0.489 233 E N 0.921 121.113 120.200 -0.013 0.000 2.290 233 E HA 0.028 4.378 4.350 0.000 0.000 0.197 233 E C 0.231 176.819 176.600 -0.020 0.000 0.948 233 E CA 0.073 56.464 56.400 -0.015 0.000 0.895 233 E CB 0.753 30.445 29.700 -0.013 0.000 0.865 233 E HN 0.497 nan 8.360 nan 0.000 0.486 234 S N 0.563 116.248 115.700 -0.025 0.000 2.594 234 S HA 0.535 5.005 4.470 0.000 0.000 0.296 234 S C -1.650 172.926 174.600 -0.041 0.000 1.124 234 S CA -0.796 57.384 58.200 -0.033 0.000 1.011 234 S CB 1.052 64.230 63.200 -0.037 0.000 1.016 234 S HN 0.097 nan 8.310 nan 0.000 0.485 235 L N 6.254 127.451 121.223 -0.044 0.000 2.406 235 L HA 0.697 5.037 4.340 0.000 0.000 0.272 235 L C -1.728 175.104 176.870 -0.063 0.000 0.980 235 L CA -0.498 54.309 54.840 -0.055 0.000 0.831 235 L CB 1.486 43.519 42.059 -0.044 0.000 1.253 235 L HN 0.604 nan 8.230 nan 0.000 0.406 236 I N 5.253 125.773 120.570 -0.084 0.000 2.362 236 I HA 0.639 4.809 4.170 0.000 0.000 0.289 236 I C 0.340 176.394 176.117 -0.106 0.000 0.994 236 I CA -0.452 60.794 61.300 -0.090 0.000 1.158 236 I CB 1.207 39.147 38.000 -0.101 0.000 1.315 236 I HN 0.806 nan 8.210 nan 0.000 0.451 237 A N 4.057 126.827 122.820 -0.085 0.000 3.106 237 A HA 0.374 4.694 4.320 0.000 0.000 0.227 237 A C 0.522 178.069 177.584 -0.062 0.000 0.920 237 A CA -0.408 51.580 52.037 -0.082 0.000 1.088 237 A CB -0.064 18.897 19.000 -0.066 0.000 1.233 237 A HN 0.718 nan 8.150 nan 0.000 0.503 238 T N -1.205 113.310 114.554 -0.064 0.000 2.813 238 T HA 0.317 4.667 4.350 0.000 0.000 0.297 238 T C 0.423 175.098 174.700 -0.042 0.000 1.036 238 T CA 0.154 62.224 62.100 -0.049 0.000 1.044 238 T CB 0.151 68.989 68.868 -0.049 0.000 0.993 238 T HN 0.562 nan 8.240 nan 0.000 0.535 239 N N 1.893 120.574 118.700 -0.032 0.000 2.705 239 N HA -0.159 4.581 4.740 0.000 0.000 0.255 239 N C -0.550 174.948 175.510 -0.020 0.000 1.008 239 N CA 0.607 53.642 53.050 -0.024 0.000 0.742 239 N CB -1.455 37.018 38.487 -0.023 0.000 0.906 239 N HN 0.696 nan 8.380 nan 0.000 0.541 240 N N 0.232 118.921 118.700 -0.019 0.000 3.255 240 N HA 0.330 5.070 4.740 0.000 0.000 0.359 240 N C 0.238 175.744 175.510 -0.007 0.000 1.463 240 N CA -0.365 52.678 53.050 -0.012 0.000 0.695 240 N CB 0.508 38.986 38.487 -0.016 0.000 1.581 240 N HN 0.050 nan 8.380 nan 0.000 0.622 241 Q N 0.919 120.718 119.800 -0.003 0.000 2.158 241 Q HA 0.413 4.753 4.340 0.000 0.000 0.306 241 Q C -0.737 175.262 176.000 -0.002 0.000 0.878 241 Q CA -0.124 55.678 55.803 -0.001 0.000 1.136 241 Q CB 0.509 29.249 28.738 0.003 0.000 1.253 241 Q HN 0.475 nan 8.270 nan 0.000 0.441 242 I N 1.370 121.937 120.570 -0.005 0.000 2.312 242 I HA 0.047 4.217 4.170 0.000 0.000 0.291 242 I C 1.297 177.410 176.117 -0.005 0.000 1.031 242 I CA 0.131 61.428 61.300 -0.005 0.000 1.293 242 I CB 1.237 39.232 38.000 -0.008 0.000 1.403 242 I HN 0.066 nan 8.210 nan 0.000 0.484 243 S N 2.036 117.734 115.700 -0.003 0.000 2.506 243 S HA 0.102 4.572 4.470 0.000 0.000 0.219 243 S C 0.263 174.861 174.600 -0.003 0.000 1.031 243 S CA -0.321 57.877 58.200 -0.004 0.000 0.911 243 S CB 0.058 63.257 63.200 -0.002 0.000 0.812 243 S HN 0.660 nan 8.310 nan 0.000 0.497 244 D N 1.630 122.028 120.400 -0.002 0.000 2.425 244 D HA 0.405 5.045 4.640 0.000 0.000 0.240 244 D C 0.391 176.689 176.300 -0.003 0.000 1.080 244 D CA -0.793 53.206 54.000 -0.002 0.000 0.836 244 D CB 1.130 41.930 40.800 -0.000 0.000 1.125 244 D HN 0.393 nan 8.370 nan 0.000 0.525 245 I N 1.049 121.617 120.570 -0.004 0.000 3.927 245 I HA 0.196 4.366 4.170 0.000 0.000 0.332 245 I C 1.224 177.339 176.117 -0.004 0.000 1.485 245 I CA -0.314 60.983 61.300 -0.005 0.000 1.131 245 I CB 0.173 38.169 38.000 -0.008 0.000 1.092 245 I HN 0.282 nan 8.210 nan 0.000 0.410 246 T N -0.604 113.948 114.554 -0.003 0.000 2.788 246 T HA 0.058 4.408 4.350 0.000 0.000 0.268 246 T C -0.227 174.473 174.700 -0.001 0.000 1.044 246 T CA 1.114 63.213 62.100 -0.002 0.000 1.139 246 T CB -1.941 66.926 68.868 -0.001 0.000 0.867 246 T HN 0.249 nan 8.240 nan 0.000 0.454 247 P HA -0.069 nan 4.420 nan 0.000 0.218 247 P C 1.412 178.711 177.300 -0.001 0.000 1.150 247 P CA 0.990 64.090 63.100 0.001 0.000 0.841 247 P CB -0.411 31.290 31.700 0.002 0.000 0.784 248 L N -2.048 119.173 121.223 -0.003 0.000 2.551 248 L HA 0.009 4.349 4.340 0.000 0.000 0.228 248 L C 2.513 179.380 176.870 -0.004 0.000 1.153 248 L CA 0.949 55.786 54.840 -0.005 0.000 0.851 248 L CB -1.361 40.693 42.059 -0.008 0.000 0.959 248 L HN 0.068 nan 8.230 nan 0.000 0.451 249 G N 1.943 110.741 108.800 -0.003 0.000 2.442 249 G HA2 -0.256 3.704 3.960 0.000 0.000 0.219 249 G HA3 -0.256 3.704 3.960 0.000 0.000 0.219 249 G C 1.450 176.348 174.900 -0.003 0.000 1.141 249 G CA 1.035 46.133 45.100 -0.003 0.000 0.763 249 G HN 0.621 nan 8.290 nan 0.000 0.554 250 I N -2.021 118.548 120.570 -0.002 0.000 3.883 250 I HA 0.362 4.532 4.170 0.000 0.000 0.326 250 I C 0.346 176.461 176.117 -0.002 0.000 1.283 250 I CA -0.320 60.980 61.300 -0.002 0.000 1.161 250 I CB 0.227 38.227 38.000 -0.000 0.000 1.012 250 I HN -0.192 nan 8.210 nan 0.000 0.421 251 L N 2.998 124.219 121.223 -0.003 0.000 2.821 251 L HA 0.125 4.465 4.340 0.000 0.000 0.239 251 L C 1.877 178.744 176.870 -0.005 0.000 1.391 251 L CA 0.611 55.448 54.840 -0.004 0.000 1.231 251 L CB -0.926 41.129 42.059 -0.006 0.000 1.598 251 L HN 0.377 nan 8.230 nan 0.000 0.428 252 T N -4.752 109.800 114.554 -0.004 0.000 3.113 252 T HA -0.045 4.305 4.350 0.000 0.000 0.263 252 T C 1.292 175.989 174.700 -0.005 0.000 1.143 252 T CA 0.537 62.634 62.100 -0.005 0.000 1.090 252 T CB -0.218 68.647 68.868 -0.004 0.000 0.922 252 T HN 0.327 nan 8.240 nan 0.000 0.521 253 N N 0.888 119.585 118.700 -0.006 0.000 2.322 253 N HA 0.224 4.964 4.740 0.000 0.000 0.194 253 N C 0.016 175.521 175.510 -0.009 0.000 1.126 253 N CA -0.020 53.026 53.050 -0.006 0.000 0.845 253 N CB 0.138 38.622 38.487 -0.005 0.000 0.976 253 N HN 0.464 nan 8.380 nan 0.000 0.475 254 L N 1.579 122.796 121.223 -0.010 0.000 2.410 254 L HA 0.004 4.344 4.340 0.000 0.000 0.273 254 L C 1.128 177.990 176.870 -0.013 0.000 1.152 254 L CA 0.082 54.914 54.840 -0.013 0.000 0.855 254 L CB 0.678 42.728 42.059 -0.015 0.000 1.129 254 L HN 0.134 nan 8.230 nan 0.000 0.463 255 D N 0.292 120.683 120.400 -0.016 0.000 2.479 255 D HA 0.021 4.661 4.640 0.000 0.000 0.221 255 D C 0.250 176.539 176.300 -0.019 0.000 1.104 255 D CA -0.208 53.783 54.000 -0.016 0.000 0.849 255 D CB 0.487 41.279 40.800 -0.014 0.000 1.072 255 D HN 0.426 nan 8.370 nan 0.000 0.502 256 E N 0.191 120.377 120.200 -0.023 0.000 2.263 256 E HA 0.479 4.829 4.350 0.000 0.000 0.268 256 E C -1.963 174.619 176.600 -0.030 0.000 0.884 256 E CA -1.042 55.342 56.400 -0.028 0.000 0.766 256 E CB 1.683 31.364 29.700 -0.032 0.000 1.196 256 E HN 0.076 nan 8.360 nan 0.000 0.416 257 L N 3.418 124.623 121.223 -0.030 0.000 2.410 257 L HA 0.507 4.847 4.340 0.000 0.000 0.270 257 L C -1.450 175.399 176.870 -0.035 0.000 0.983 257 L CA -0.284 54.536 54.840 -0.032 0.000 0.822 257 L CB 2.112 44.155 42.059 -0.026 0.000 1.285 257 L HN 0.427 nan 8.230 nan 0.000 0.409 258 S N 5.388 121.063 115.700 -0.041 0.000 2.707 258 S HA 0.583 5.053 4.470 0.000 0.000 0.312 258 S C -0.234 174.341 174.600 -0.041 0.000 1.116 258 S CA -0.489 57.686 58.200 -0.041 0.000 1.078 258 S CB 0.541 63.711 63.200 -0.049 0.000 0.997 258 S HN 0.696 nan 8.310 nan 0.000 0.477 259 L N 3.932 125.135 121.223 -0.034 0.000 3.066 259 L HA 0.371 4.711 4.340 0.000 0.000 0.265 259 L C 0.784 177.638 176.870 -0.028 0.000 1.232 259 L CA -0.422 54.400 54.840 -0.031 0.000 1.031 259 L CB 0.070 42.114 42.059 -0.025 0.000 1.379 259 L HN 0.604 nan 8.230 nan 0.000 0.563 260 N N 2.225 120.907 118.700 -0.030 0.000 2.294 260 N HA -0.042 4.698 4.740 0.000 0.000 0.263 260 N C 0.828 176.323 175.510 -0.025 0.000 1.281 260 N CA 1.621 54.654 53.050 -0.027 0.000 0.846 260 N CB 0.772 39.241 38.487 -0.029 0.000 1.061 260 N HN 0.417 nan 8.380 nan 0.000 0.478 261 G N 2.459 111.246 108.800 -0.021 0.000 2.417 261 G HA2 -0.215 3.745 3.960 0.000 0.000 0.291 261 G HA3 -0.215 3.745 3.960 0.000 0.000 0.291 261 G C -0.192 174.698 174.900 -0.018 0.000 1.094 261 G CA -0.170 44.919 45.100 -0.019 0.000 1.146 261 G HN 0.754 nan 8.290 nan 0.000 0.519 262 N N -0.782 117.908 118.700 -0.016 0.000 3.427 262 N HA 0.549 5.289 4.740 0.000 0.000 0.364 262 N C 0.401 175.905 175.510 -0.011 0.000 1.538 262 N CA -0.515 52.527 53.050 -0.014 0.000 0.662 262 N CB 0.695 39.173 38.487 -0.015 0.000 1.881 262 N HN 0.227 nan 8.380 nan 0.000 0.634 263 Q N 0.762 120.557 119.800 -0.009 0.000 2.217 263 Q HA 0.452 4.792 4.340 0.000 0.000 0.340 263 Q C -0.804 175.192 176.000 -0.007 0.000 0.893 263 Q CA -0.104 55.694 55.803 -0.007 0.000 1.142 263 Q CB 0.562 29.297 28.738 -0.005 0.000 1.288 263 Q HN 0.312 nan 8.270 nan 0.000 0.426 264 L N 0.715 121.933 121.223 -0.008 0.000 2.416 264 L HA 0.192 4.532 4.340 0.000 0.000 0.272 264 L C 1.105 177.971 176.870 -0.007 0.000 1.161 264 L CA 0.476 55.311 54.840 -0.008 0.000 0.845 264 L CB 0.862 42.915 42.059 -0.010 0.000 1.119 264 L HN 0.338 nan 8.230 nan 0.000 0.464 265 K N 1.079 121.476 120.400 -0.005 0.000 2.625 265 K HA 0.026 4.346 4.320 0.000 0.000 0.202 265 K C 0.107 176.705 176.600 -0.004 0.000 1.412 265 K CA -0.376 55.908 56.287 -0.005 0.000 0.989 265 K CB 0.464 32.962 32.500 -0.003 0.000 1.682 265 K HN 0.571 nan 8.250 nan 0.000 0.496 266 D N 2.363 122.761 120.400 -0.004 0.000 2.338 266 D HA 0.054 4.694 4.640 0.000 0.000 0.255 266 D C 0.474 176.772 176.300 -0.004 0.000 1.237 266 D CA -0.255 53.742 54.000 -0.003 0.000 0.883 266 D CB 0.641 41.439 40.800 -0.003 0.000 1.087 266 D HN 0.419 nan 8.370 nan 0.000 0.485 267 I N 0.978 121.545 120.570 -0.005 0.000 3.816 267 I HA 0.427 4.597 4.170 0.000 0.000 0.334 267 I C 1.503 177.617 176.117 -0.005 0.000 1.551 267 I CA -0.803 60.494 61.300 -0.006 0.000 1.153 267 I CB 0.544 38.540 38.000 -0.007 0.000 1.197 267 I HN 0.314 nan 8.210 nan 0.000 0.439 268 G N 1.800 110.598 108.800 -0.004 0.000 2.503 268 G HA2 -0.283 3.677 3.960 0.000 0.000 0.221 268 G HA3 -0.283 3.677 3.960 0.000 0.000 0.221 268 G C 1.378 176.276 174.900 -0.004 0.000 1.131 268 G CA 1.859 46.957 45.100 -0.003 0.000 0.756 268 G HN 0.448 nan 8.290 nan 0.000 0.572 269 T N 1.612 116.164 114.554 -0.004 0.000 2.737 269 T HA -0.128 4.222 4.350 0.000 0.000 0.269 269 T C 2.333 177.030 174.700 -0.005 0.000 1.040 269 T CA 1.207 63.304 62.100 -0.004 0.000 1.142 269 T CB -0.263 68.602 68.868 -0.004 0.000 0.861 269 T HN 0.256 nan 8.240 nan 0.000 0.456 270 L N 0.828 122.048 121.223 -0.006 0.000 2.265 270 L HA -0.054 4.286 4.340 0.000 0.000 0.215 270 L C 2.944 179.811 176.870 -0.006 0.000 1.117 270 L CA 0.763 55.599 54.840 -0.007 0.000 0.782 270 L CB -0.785 41.269 42.059 -0.008 0.000 0.914 270 L HN 0.240 nan 8.230 nan 0.000 0.441 271 A N -0.107 122.710 122.820 -0.005 0.000 2.070 271 A HA -0.154 4.166 4.320 0.000 0.000 0.220 271 A C 2.457 180.039 177.584 -0.004 0.000 1.159 271 A CA 1.839 53.874 52.037 -0.004 0.000 0.656 271 A CB -0.406 18.592 19.000 -0.003 0.000 0.800 271 A HN 0.445 nan 8.150 nan 0.000 0.453 272 S N -0.008 115.690 115.700 -0.004 0.000 2.453 272 S HA 0.065 4.535 4.470 0.000 0.000 0.231 272 S C 0.846 175.443 174.600 -0.005 0.000 1.005 272 S CA 0.414 58.611 58.200 -0.004 0.000 0.949 272 S CB -0.296 62.901 63.200 -0.003 0.000 0.774 272 S HN 0.516 nan 8.310 nan 0.000 0.510 273 L N 3.292 124.512 121.223 -0.006 0.000 2.727 273 L HA 0.160 4.500 4.340 0.000 0.000 0.237 273 L C 1.429 178.296 176.870 -0.006 0.000 1.370 273 L CA -0.204 54.632 54.840 -0.007 0.000 1.248 273 L CB -0.970 41.084 42.059 -0.008 0.000 1.556 273 L HN 0.288 nan 8.230 nan 0.000 0.420 274 T N -4.439 110.112 114.554 -0.005 0.000 3.098 274 T HA -0.080 4.270 4.350 0.000 0.000 0.266 274 T C 1.396 176.093 174.700 -0.005 0.000 1.145 274 T CA 0.595 62.693 62.100 -0.005 0.000 1.092 274 T CB -0.144 68.722 68.868 -0.004 0.000 0.908 274 T HN 0.372 nan 8.240 nan 0.000 0.526 275 N N 0.749 119.445 118.700 -0.006 0.000 2.422 275 N HA 0.201 4.941 4.740 0.000 0.000 0.181 275 N C 0.401 175.906 175.510 -0.009 0.000 1.080 275 N CA -0.030 53.016 53.050 -0.007 0.000 0.893 275 N CB -0.186 38.296 38.487 -0.007 0.000 0.973 275 N HN 0.453 nan 8.380 nan 0.000 0.456 276 L N 1.597 122.815 121.223 -0.009 0.000 2.640 276 L HA -0.098 4.242 4.340 0.000 0.000 0.280 276 L C 1.692 178.555 176.870 -0.010 0.000 1.229 276 L CA 0.432 55.265 54.840 -0.011 0.000 0.919 276 L CB 0.387 42.440 42.059 -0.011 0.000 1.168 276 L HN 0.219 nan 8.230 nan 0.000 0.496 277 T N -2.628 111.918 114.554 -0.012 0.000 2.971 277 T HA 0.107 4.457 4.350 0.000 0.000 0.252 277 T C 0.241 174.933 174.700 -0.014 0.000 1.022 277 T CA -0.261 61.832 62.100 -0.012 0.000 0.980 277 T CB 0.431 69.292 68.868 -0.012 0.000 1.044 277 T HN 0.469 nan 8.240 nan 0.000 0.501 278 D N 0.658 121.047 120.400 -0.017 0.000 2.686 278 D HA 0.496 5.136 4.640 0.000 0.000 0.249 278 D C -1.832 174.455 176.300 -0.021 0.000 1.260 278 D CA -0.537 53.450 54.000 -0.021 0.000 0.910 278 D CB 1.941 42.724 40.800 -0.027 0.000 1.323 278 D HN 0.209 nan 8.370 nan 0.000 0.561 279 L N 3.861 125.073 121.223 -0.018 0.000 2.406 279 L HA 0.520 4.860 4.340 0.000 0.000 0.272 279 L C -1.587 175.273 176.870 -0.017 0.000 0.980 279 L CA -0.490 54.340 54.840 -0.017 0.000 0.831 279 L CB 1.825 43.877 42.059 -0.013 0.000 1.253 279 L HN 0.210 nan 8.230 nan 0.000 0.406 280 D N 5.024 125.411 120.400 -0.022 0.000 2.481 280 D HA 0.412 5.052 4.640 0.000 0.000 0.246 280 D C -0.411 175.877 176.300 -0.022 0.000 1.109 280 D CA -0.080 53.906 54.000 -0.022 0.000 0.845 280 D CB 1.230 42.013 40.800 -0.030 0.000 1.160 280 D HN 0.653 nan 8.370 nan 0.000 0.534 281 L N 2.378 123.590 121.223 -0.018 0.000 3.358 281 L HA 0.437 4.777 4.340 0.000 0.000 0.301 281 L C 0.810 177.669 176.870 -0.018 0.000 1.276 281 L CA -0.499 54.331 54.840 -0.018 0.000 1.028 281 L CB 0.700 42.750 42.059 -0.015 0.000 1.421 281 L HN 0.340 nan 8.230 nan 0.000 0.604 282 A N -0.065 122.744 122.820 -0.019 0.000 2.386 282 A HA 0.248 4.568 4.320 0.000 0.000 0.246 282 A C 0.779 178.350 177.584 -0.020 0.000 1.089 282 A CA 0.058 52.083 52.037 -0.020 0.000 0.790 282 A CB -0.001 18.989 19.000 -0.018 0.000 1.042 282 A HN 0.594 nan 8.150 nan 0.000 0.497 283 N N 0.613 119.300 118.700 -0.021 0.000 2.727 283 N HA -0.139 4.601 4.740 0.000 0.000 0.251 283 N C -0.422 175.078 175.510 -0.017 0.000 1.040 283 N CA 1.225 54.263 53.050 -0.020 0.000 0.712 283 N CB -1.195 37.281 38.487 -0.019 0.000 0.912 283 N HN 0.744 nan 8.380 nan 0.000 0.545 284 N N 0.089 118.780 118.700 -0.016 0.000 3.439 284 N HA 0.297 5.037 4.740 0.000 0.000 0.343 284 N C -0.166 175.337 175.510 -0.011 0.000 1.597 284 N CA -0.406 52.636 53.050 -0.013 0.000 0.733 284 N CB 0.487 38.966 38.487 -0.013 0.000 1.973 284 N HN 0.077 nan 8.380 nan 0.000 0.646 285 Q N 0.733 120.527 119.800 -0.009 0.000 2.324 285 Q HA 0.494 4.834 4.340 0.000 0.000 0.373 285 Q C -0.822 175.175 176.000 -0.006 0.000 0.909 285 Q CA -0.035 55.764 55.803 -0.007 0.000 1.135 285 Q CB 0.445 29.180 28.738 -0.005 0.000 1.313 285 Q HN 0.393 nan 8.270 nan 0.000 0.417 286 I N 0.195 120.761 120.570 -0.007 0.000 2.392 286 I HA 0.215 4.385 4.170 0.000 0.000 0.295 286 I C 0.912 177.026 176.117 -0.005 0.000 0.985 286 I CA -0.105 61.191 61.300 -0.007 0.000 1.221 286 I CB 1.761 39.756 38.000 -0.008 0.000 1.366 286 I HN 0.244 nan 8.210 nan 0.000 0.467 287 S N 2.742 118.440 115.700 -0.004 0.000 2.818 287 S HA 0.107 4.577 4.470 0.000 0.000 0.251 287 S C 0.441 175.040 174.600 -0.003 0.000 1.083 287 S CA -0.316 57.882 58.200 -0.002 0.000 0.871 287 S CB -0.017 63.182 63.200 -0.001 0.000 0.831 287 S HN 0.612 nan 8.310 nan 0.000 0.470 288 N N 1.685 120.383 118.700 -0.003 0.000 2.420 288 N HA 0.407 5.147 4.740 0.000 0.000 0.249 288 N C 0.140 175.648 175.510 -0.004 0.000 1.033 288 N CA -0.426 52.622 53.050 -0.003 0.000 0.944 288 N CB 0.562 39.048 38.487 -0.002 0.000 1.113 288 N HN 0.373 nan 8.380 nan 0.000 0.502 289 L N 2.468 123.689 121.223 -0.004 0.000 2.640 289 L HA 0.299 4.639 4.340 0.000 0.000 0.230 289 L C 1.989 178.857 176.870 -0.004 0.000 1.123 289 L CA 0.004 54.842 54.840 -0.004 0.000 0.900 289 L CB -0.178 41.879 42.059 -0.004 0.000 1.146 289 L HN 0.556 nan 8.230 nan 0.000 0.484 290 A N 1.627 124.446 122.820 -0.003 0.000 1.917 290 A HA -0.135 4.185 4.320 0.000 0.000 0.219 290 A C -0.154 177.428 177.584 -0.003 0.000 1.182 290 A CA 1.665 53.701 52.037 -0.003 0.000 0.633 290 A CB -1.689 17.310 19.000 -0.002 0.000 0.819 290 A HN 0.279 nan 8.150 nan 0.000 0.448 291 P HA -0.133 nan 4.420 nan 0.000 0.222 291 P C 1.058 178.356 177.300 -0.004 0.000 1.142 291 P CA 0.861 63.959 63.100 -0.004 0.000 0.788 291 P CB -0.179 31.519 31.700 -0.004 0.000 0.767 292 L N -1.012 120.209 121.223 -0.004 0.000 2.446 292 L HA -0.028 4.312 4.340 0.000 0.000 0.219 292 L C 2.442 179.310 176.870 -0.003 0.000 1.116 292 L CA 1.045 55.882 54.840 -0.004 0.000 0.844 292 L CB -0.951 41.105 42.059 -0.004 0.000 0.970 292 L HN 0.081 nan 8.230 nan 0.000 0.457 293 S N 0.268 115.966 115.700 -0.003 0.000 2.383 293 S HA -0.153 4.317 4.470 0.000 0.000 0.229 293 S C 1.837 176.436 174.600 -0.002 0.000 1.030 293 S CA 1.271 59.469 58.200 -0.002 0.000 1.002 293 S CB -0.835 62.364 63.200 -0.002 0.000 0.829 293 S HN 0.444 nan 8.310 nan 0.000 0.467 294 G N 0.379 109.178 108.800 -0.002 0.000 3.141 294 G HA2 0.386 4.346 3.960 0.000 0.000 0.218 294 G HA3 0.386 4.346 3.960 0.000 0.000 0.218 294 G C 0.451 175.350 174.900 -0.003 0.000 1.170 294 G CA -0.402 44.697 45.100 -0.002 0.000 0.769 294 G HN 0.498 nan 8.290 nan 0.000 0.546 295 L N 2.755 123.976 121.223 -0.003 0.000 2.648 295 L HA 0.141 4.481 4.340 0.000 0.000 0.238 295 L C 1.715 178.583 176.870 -0.003 0.000 1.316 295 L CA -0.163 54.675 54.840 -0.003 0.000 1.241 295 L CB -0.048 42.008 42.059 -0.004 0.000 1.499 295 L HN 0.196 nan 8.230 nan 0.000 0.411 296 T N -3.963 110.589 114.554 -0.002 0.000 3.160 296 T HA -0.046 4.304 4.350 0.000 0.000 0.257 296 T C 1.304 176.003 174.700 -0.002 0.000 1.147 296 T CA 0.227 62.326 62.100 -0.002 0.000 1.064 296 T CB -0.167 68.701 68.868 -0.001 0.000 0.949 296 T HN 0.440 nan 8.240 nan 0.000 0.526 297 K N 0.897 121.295 120.400 -0.003 0.000 2.444 297 K HA 0.314 4.634 4.320 0.000 0.000 0.193 297 K C 0.281 176.879 176.600 -0.004 0.000 1.024 297 K CA -0.117 56.168 56.287 -0.003 0.000 1.077 297 K CB -0.030 32.467 32.500 -0.004 0.000 0.833 297 K HN 0.354 nan 8.250 nan 0.000 0.517 298 L N 2.367 123.589 121.223 -0.003 0.000 2.455 298 L HA 0.003 4.343 4.340 0.000 0.000 0.272 298 L C 1.428 178.298 176.870 0.000 0.000 1.174 298 L CA 0.102 54.940 54.840 -0.003 0.000 0.869 298 L CB 0.846 42.904 42.059 -0.002 0.000 1.130 298 L HN 0.286 nan 8.230 nan 0.000 0.474 299 T N -1.642 112.911 114.554 -0.001 0.000 2.955 299 T HA 0.196 4.546 4.350 0.000 0.000 0.251 299 T C 0.412 175.115 174.700 0.005 0.000 1.002 299 T CA -0.272 61.830 62.100 0.002 0.000 0.970 299 T CB 0.335 69.201 68.868 -0.003 0.000 1.091 299 T HN 0.545 nan 8.240 nan 0.000 0.495 300 E N 1.071 121.271 120.200 -0.001 0.000 2.224 300 E HA 0.608 4.958 4.350 0.000 0.000 0.265 300 E C -1.983 174.619 176.600 0.003 0.000 0.878 300 E CA -0.960 55.442 56.400 0.003 0.000 0.759 300 E CB 2.606 32.296 29.700 -0.016 0.000 1.164 300 E HN 0.100 nan 8.360 nan 0.000 0.414 301 L N 2.751 123.984 121.223 0.016 0.000 2.381 301 L HA 0.406 4.746 4.340 0.000 0.000 0.274 301 L C -1.260 175.620 176.870 0.018 0.000 0.988 301 L CA -0.532 54.315 54.840 0.011 0.000 0.824 301 L CB 1.238 43.303 42.059 0.010 0.000 1.263 301 L HN 0.365 nan 8.230 nan 0.000 0.410 302 K N 6.517 126.920 120.400 0.006 0.000 2.323 302 K HA 0.553 4.874 4.320 0.000 0.000 0.259 302 K C -0.509 176.087 176.600 -0.007 0.000 0.947 302 K CA -0.465 55.826 56.287 0.005 0.000 0.819 302 K CB 2.098 34.598 32.500 -0.000 0.000 1.109 302 K HN 0.665 nan 8.250 nan 0.000 0.429 303 L N 1.505 122.720 121.223 -0.014 0.000 3.606 303 L HA 0.178 4.518 4.340 0.000 0.000 0.336 303 L C 0.712 177.561 176.870 -0.035 0.000 1.300 303 L CA -0.397 54.430 54.840 -0.021 0.000 1.050 303 L CB 1.331 43.380 42.059 -0.017 0.000 1.439 303 L HN 0.725 nan 8.230 nan 0.000 0.621 304 G N -0.248 108.523 108.800 -0.048 0.000 2.569 304 G HA2 0.399 4.359 3.960 0.000 0.000 0.249 304 G HA3 0.399 4.359 3.960 0.000 0.000 0.249 304 G C 0.823 175.689 174.900 -0.056 0.000 1.216 304 G CA 0.465 45.516 45.100 -0.081 0.000 0.845 304 G HN 0.437 nan 8.290 nan 0.000 0.568 305 A N 0.510 123.294 122.820 -0.060 0.000 2.667 305 A HA -0.157 4.163 4.320 0.000 0.000 0.298 305 A C 0.701 178.269 177.584 -0.026 0.000 1.483 305 A CA 0.982 52.996 52.037 -0.037 0.000 0.738 305 A CB -2.022 16.959 19.000 -0.033 0.000 1.067 305 A HN 0.721 nan 8.150 nan 0.000 0.451 306 N N -0.848 117.838 118.700 -0.023 0.000 3.312 306 N HA 0.518 5.258 4.740 0.000 0.000 0.361 306 N C 0.362 175.867 175.510 -0.008 0.000 1.476 306 N CA -0.420 52.621 53.050 -0.015 0.000 0.669 306 N CB 0.531 39.008 38.487 -0.016 0.000 1.629 306 N HN 0.479 nan 8.380 nan 0.000 0.612 307 Q N 0.639 120.436 119.800 -0.005 0.000 2.215 307 Q HA 0.446 4.786 4.340 0.000 0.000 0.337 307 Q C -0.889 175.112 176.000 0.001 0.000 0.887 307 Q CA -0.072 55.731 55.803 0.001 0.000 1.134 307 Q CB 0.538 29.276 28.738 0.001 0.000 1.303 307 Q HN 0.410 nan 8.270 nan 0.000 0.421 308 I N 0.671 121.240 120.570 -0.001 0.000 2.365 308 I HA 0.093 4.263 4.170 0.000 0.000 0.291 308 I C 1.142 177.261 176.117 0.002 0.000 1.004 308 I CA 0.066 61.365 61.300 -0.001 0.000 1.311 308 I CB 1.629 39.626 38.000 -0.006 0.000 1.401 308 I HN 0.167 nan 8.210 nan 0.000 0.491 309 S N 2.818 118.519 115.700 0.003 0.000 2.524 309 S HA 0.164 4.635 4.470 0.000 0.000 0.222 309 S C 0.471 175.072 174.600 0.001 0.000 1.040 309 S CA -0.283 57.919 58.200 0.004 0.000 0.915 309 S CB 0.003 63.206 63.200 0.006 0.000 0.831 309 S HN 0.635 nan 8.310 nan 0.000 0.492 310 N N 1.647 120.346 118.700 -0.000 0.000 2.443 310 N HA 0.444 5.184 4.740 0.000 0.000 0.269 310 N C -0.055 175.453 175.510 -0.003 0.000 0.985 310 N CA -0.831 52.218 53.050 -0.002 0.000 0.921 310 N CB 1.421 39.908 38.487 -0.001 0.000 1.195 310 N HN 0.465 nan 8.380 nan 0.000 0.492 311 I N 0.172 120.739 120.570 -0.004 0.000 3.974 311 I HA 0.347 4.517 4.170 0.000 0.000 0.334 311 I C 0.994 177.108 176.117 -0.005 0.000 1.437 311 I CA -0.322 60.975 61.300 -0.005 0.000 1.113 311 I CB 0.395 38.391 38.000 -0.006 0.000 1.063 311 I HN 0.161 nan 8.210 nan 0.000 0.400 312 S N 2.666 118.363 115.700 -0.004 0.000 2.374 312 S HA -0.074 4.396 4.470 0.000 0.000 0.227 312 S C -0.367 174.231 174.600 -0.003 0.000 1.037 312 S CA 2.034 60.231 58.200 -0.004 0.000 1.024 312 S CB -1.074 62.124 63.200 -0.004 0.000 0.861 312 S HN 0.442 nan 8.310 nan 0.000 0.456 313 P HA -0.049 nan 4.420 nan 0.000 0.224 313 P C 0.823 178.122 177.300 -0.002 0.000 1.142 313 P CA 0.863 63.962 63.100 -0.003 0.000 0.778 313 P CB -0.079 31.619 31.700 -0.003 0.000 0.764 314 L N -2.244 118.978 121.223 -0.002 0.000 2.509 314 L HA 0.126 4.466 4.340 0.000 0.000 0.222 314 L C 2.131 179.000 176.870 -0.001 0.000 1.123 314 L CA 0.541 55.380 54.840 -0.001 0.000 0.856 314 L CB -0.691 41.367 42.059 -0.001 0.000 0.985 314 L HN -0.038 nan 8.230 nan 0.000 0.456 315 A N 0.431 123.250 122.820 -0.002 0.000 2.066 315 A HA 0.007 4.327 4.320 0.000 0.000 0.218 315 A C 2.115 179.698 177.584 -0.001 0.000 1.157 315 A CA 1.335 53.371 52.037 -0.002 0.000 0.670 315 A CB -0.558 18.440 19.000 -0.003 0.000 0.804 315 A HN 0.398 nan 8.150 nan 0.000 0.453 316 G N -0.907 107.892 108.800 -0.001 0.000 3.042 316 G HA2 0.312 4.272 3.960 0.000 0.000 0.212 316 G HA3 0.312 4.272 3.960 0.000 0.000 0.212 316 G C 0.640 175.540 174.900 0.000 0.000 1.166 316 G CA -0.218 44.882 45.100 -0.001 0.000 0.767 316 G HN 0.392 nan 8.290 nan 0.000 0.546 317 L N 2.674 123.898 121.223 0.001 0.000 2.821 317 L HA 0.100 4.440 4.340 0.000 0.000 0.239 317 L C 2.226 179.098 176.870 0.004 0.000 1.391 317 L CA 0.019 54.860 54.840 0.002 0.000 1.231 317 L CB -0.519 41.542 42.059 0.003 0.000 1.598 317 L HN 0.225 nan 8.230 nan 0.000 0.428 318 T N -3.699 110.857 114.554 0.003 0.000 2.977 318 T HA -0.146 4.204 4.350 0.000 0.000 0.271 318 T C 1.815 176.519 174.700 0.007 0.000 1.105 318 T CA 0.908 63.011 62.100 0.005 0.000 1.116 318 T CB 0.067 68.937 68.868 0.003 0.000 0.878 318 T HN 0.462 nan 8.240 nan 0.000 0.509 319 A N 1.061 123.885 122.820 0.006 0.000 2.209 319 A HA 0.373 4.693 4.320 0.000 0.000 0.212 319 A C 1.094 178.684 177.584 0.010 0.000 1.158 319 A CA -0.071 51.970 52.037 0.006 0.000 0.742 319 A CB -0.761 18.241 19.000 0.003 0.000 0.790 319 A HN 0.612 nan 8.150 nan 0.000 0.472 320 L N 0.703 121.934 121.223 0.013 0.000 2.578 320 L HA -0.003 4.337 4.340 0.000 0.000 0.279 320 L C 1.859 178.746 176.870 0.029 0.000 1.227 320 L CA 0.461 55.314 54.840 0.021 0.000 0.900 320 L CB 0.427 42.500 42.059 0.025 0.000 1.144 320 L HN 0.528 nan 8.230 nan 0.000 0.496 321 T N -1.746 112.829 114.554 0.034 0.000 3.018 321 T HA 0.123 4.473 4.350 0.000 0.000 0.246 321 T C 0.604 175.357 174.700 0.089 0.000 1.026 321 T CA -0.163 61.966 62.100 0.048 0.000 1.081 321 T CB 0.181 69.066 68.868 0.029 0.000 0.970 321 T HN 0.480 nan 8.240 nan 0.000 0.475 322 N N 1.189 119.942 118.700 0.088 0.000 2.354 322 N HA 0.684 5.424 4.740 0.000 0.000 0.287 322 N C -1.807 173.786 175.510 0.139 0.000 1.016 322 N CA -0.658 52.492 53.050 0.165 0.000 0.871 322 N CB 2.229 40.774 38.487 0.096 0.000 1.299 322 N HN 0.323 nan 8.380 nan 0.000 0.482 323 L N 0.610 121.933 121.223 0.167 0.000 2.410 323 L HA 0.588 4.928 4.340 0.000 0.000 0.270 323 L C -1.126 175.799 176.870 0.091 0.000 0.983 323 L CA -0.283 54.615 54.840 0.096 0.000 0.822 323 L CB 1.770 43.860 42.059 0.051 0.000 1.285 323 L HN 0.473 nan 8.230 nan 0.000 0.409 324 E N 5.567 125.803 120.200 0.061 0.000 2.218 324 E HA 0.454 4.804 4.350 0.000 0.000 0.263 324 E C -0.624 175.958 176.600 -0.031 0.000 0.879 324 E CA -0.282 56.132 56.400 0.022 0.000 0.762 324 E CB 2.048 31.781 29.700 0.056 0.000 1.166 324 E HN 0.717 nan 8.360 nan 0.000 0.415 325 L N 2.834 124.012 121.223 -0.075 0.000 3.439 325 L HA 0.118 4.458 4.340 0.000 0.000 0.313 325 L C 0.157 176.949 176.870 -0.131 0.000 1.292 325 L CA -0.322 54.474 54.840 -0.074 0.000 1.020 325 L CB 0.242 42.279 42.059 -0.037 0.000 1.424 325 L HN 0.464 nan 8.230 nan 0.000 0.612 326 N N 0.662 119.195 118.700 -0.278 0.000 2.415 326 N HA -0.032 4.708 4.740 0.000 0.000 0.248 326 N C -0.140 175.222 175.510 -0.247 0.000 1.271 326 N CA -0.038 52.720 53.050 -0.487 0.000 0.913 326 N CB 0.566 38.215 38.487 -1.397 0.000 1.129 326 N HN 0.114 nan 8.380 nan 0.000 0.444 327 E N -1.145 118.994 120.200 -0.103 0.000 2.252 327 E HA -0.207 4.143 4.350 0.000 0.000 0.218 327 E C -0.590 176.010 176.600 -0.000 0.000 1.253 327 E CA 0.441 56.850 56.400 0.014 0.000 0.705 327 E CB -0.950 28.729 29.700 -0.035 0.000 1.172 327 E HN 0.603 nan 8.360 nan 0.000 0.369 328 N N -0.282 118.428 118.700 0.015 0.000 3.492 328 N HA 0.291 5.031 4.740 0.000 0.000 0.352 328 N C 0.073 175.603 175.510 0.033 0.000 1.517 328 N CA -0.447 52.611 53.050 0.013 0.000 0.629 328 N CB 0.401 38.886 38.487 -0.004 0.000 2.162 328 N HN -0.006 nan 8.380 nan 0.000 0.598 329 Q N 0.617 120.430 119.800 0.023 0.000 2.129 329 Q HA 0.445 4.785 4.340 0.000 0.000 0.274 329 Q C -0.873 175.140 176.000 0.022 0.000 0.854 329 Q CA -0.119 55.700 55.803 0.027 0.000 1.123 329 Q CB 0.460 29.211 28.738 0.021 0.000 1.226 329 Q HN 0.322 nan 8.270 nan 0.000 0.454 330 L N 0.758 121.993 121.223 0.021 0.000 2.410 330 L HA 0.121 4.461 4.340 0.000 0.000 0.273 330 L C 1.024 177.903 176.870 0.015 0.000 1.152 330 L CA 0.537 55.385 54.840 0.013 0.000 0.855 330 L CB 0.899 42.963 42.059 0.008 0.000 1.129 330 L HN 0.347 nan 8.230 nan 0.000 0.463 331 E N 0.506 120.711 120.200 0.009 0.000 2.354 331 E HA -0.008 4.343 4.350 0.000 0.000 0.203 331 E C -0.341 176.257 176.600 -0.003 0.000 0.841 331 E CA -0.002 56.402 56.400 0.006 0.000 1.046 331 E CB 0.635 30.339 29.700 0.008 0.000 1.040 331 E HN 0.527 nan 8.360 nan 0.000 0.504 332 D N 1.340 121.737 120.400 -0.005 0.000 2.454 332 D HA 0.102 4.742 4.640 0.000 0.000 0.225 332 D C 0.127 176.419 176.300 -0.013 0.000 1.081 332 D CA -0.451 53.543 54.000 -0.010 0.000 0.864 332 D CB 0.616 41.411 40.800 -0.008 0.000 1.040 332 D HN 0.185 nan 8.370 nan 0.000 0.517 333 I N 1.066 121.624 120.570 -0.021 0.000 3.889 333 I HA 0.176 4.346 4.170 0.000 0.000 0.332 333 I C 1.222 177.324 176.117 -0.025 0.000 1.493 333 I CA -0.438 60.848 61.300 -0.023 0.000 1.158 333 I CB 0.116 38.098 38.000 -0.031 0.000 1.117 333 I HN 0.155 nan 8.210 nan 0.000 0.411 334 S N 1.331 117.018 115.700 -0.022 0.000 2.399 334 S HA 0.041 4.512 4.470 0.000 0.000 0.231 334 S C -0.395 174.195 174.600 -0.017 0.000 1.022 334 S CA 0.731 58.918 58.200 -0.022 0.000 0.983 334 S CB -1.850 61.339 63.200 -0.019 0.000 0.803 334 S HN 0.354 nan 8.310 nan 0.000 0.480 335 P HA -0.047 nan 4.420 nan 0.000 0.219 335 P C 1.274 178.568 177.300 -0.010 0.000 1.144 335 P CA 0.901 63.995 63.100 -0.010 0.000 0.806 335 P CB -0.163 31.533 31.700 -0.008 0.000 0.771 336 I N -0.575 119.987 120.570 -0.013 0.000 2.493 336 I HA -0.210 3.960 4.170 0.000 0.000 0.254 336 I C 2.017 178.127 176.117 -0.011 0.000 1.160 336 I CA 1.259 62.552 61.300 -0.011 0.000 1.445 336 I CB -0.322 37.669 38.000 -0.015 0.000 1.086 336 I HN 0.054 nan 8.210 nan 0.000 0.433 337 S N 0.484 116.175 115.700 -0.015 0.000 2.440 337 S HA -0.183 4.287 4.470 0.000 0.000 0.238 337 S C 1.654 176.249 174.600 -0.009 0.000 1.010 337 S CA 1.080 59.272 58.200 -0.014 0.000 0.972 337 S CB -0.579 62.611 63.200 -0.017 0.000 0.774 337 S HN 0.484 nan 8.310 nan 0.000 0.501 338 N N 1.672 120.368 118.700 -0.007 0.000 2.381 338 N HA 0.060 4.800 4.740 0.000 0.000 0.182 338 N C 0.359 175.869 175.510 -0.000 0.000 1.025 338 N CA 0.696 53.744 53.050 -0.004 0.000 0.888 338 N CB -0.295 38.190 38.487 -0.003 0.000 0.965 338 N HN 0.516 nan 8.380 nan 0.000 0.438 339 L N 1.830 123.054 121.223 0.001 0.000 2.466 339 L HA 0.222 4.563 4.340 0.000 0.000 0.248 339 L C 0.950 177.825 176.870 0.008 0.000 1.240 339 L CA -0.260 54.584 54.840 0.006 0.000 1.180 339 L CB 0.276 42.341 42.059 0.009 0.000 1.413 339 L HN -0.256 nan 8.230 nan 0.000 0.406 340 K N 0.616 121.020 120.400 0.007 0.000 2.439 340 K HA -0.010 4.310 4.320 0.000 0.000 0.197 340 K C 0.949 177.556 176.600 0.011 0.000 1.041 340 K CA 0.597 56.888 56.287 0.007 0.000 0.970 340 K CB 0.152 32.655 32.500 0.004 0.000 0.773 340 K HN 0.475 nan 8.250 nan 0.000 0.479 341 N N 0.523 119.231 118.700 0.014 0.000 2.280 341 N HA 0.063 4.803 4.740 0.000 0.000 0.192 341 N C 0.267 175.794 175.510 0.029 0.000 1.109 341 N CA 0.037 53.098 53.050 0.019 0.000 0.855 341 N CB 0.479 38.975 38.487 0.015 0.000 0.974 341 N HN 0.125 nan 8.380 nan 0.000 0.482 342 L N 0.938 122.181 121.223 0.033 0.000 2.380 342 L HA 0.111 4.451 4.340 0.000 0.000 0.273 342 L C 1.521 178.429 176.870 0.063 0.000 1.138 342 L CA 0.136 55.008 54.840 0.053 0.000 0.832 342 L CB 0.934 43.023 42.059 0.050 0.000 1.124 342 L HN 0.103 nan 8.230 nan 0.000 0.454 343 T N -1.204 113.406 114.554 0.093 0.000 2.985 343 T HA 0.100 4.450 4.350 0.000 0.000 0.254 343 T C -0.250 174.558 174.700 0.181 0.000 1.021 343 T CA -0.009 62.155 62.100 0.106 0.000 0.957 343 T CB 0.079 68.996 68.868 0.082 0.000 1.047 343 T HN 0.359 nan 8.240 nan 0.000 0.511 344 Y N 0.902 121.231 120.300 0.049 0.000 2.332 344 Y HA 0.659 5.209 4.550 0.000 0.000 0.325 344 Y C -1.997 173.973 175.900 0.116 0.000 1.054 344 Y CA -2.061 56.093 58.100 0.089 0.000 1.119 344 Y CB 1.633 40.125 38.460 0.053 0.000 1.168 344 Y HN 0.177 nan 8.280 nan 0.000 0.439 345 L N 6.530 127.597 121.223 -0.261 0.000 2.438 345 L HA 0.716 5.056 4.340 0.000 0.000 0.270 345 L C -0.955 175.863 176.870 -0.086 0.000 0.972 345 L CA -0.183 54.583 54.840 -0.122 0.000 0.831 345 L CB 2.191 44.247 42.059 -0.005 0.000 1.273 345 L HN 0.706 nan 8.230 nan 0.000 0.405 346 T N 2.382 116.897 114.554 -0.065 0.000 2.855 346 T HA 0.693 5.043 4.350 0.000 0.000 0.281 346 T C 0.111 174.817 174.700 0.010 0.000 1.007 346 T CA -0.520 61.608 62.100 0.047 0.000 1.009 346 T CB 1.325 70.160 68.868 -0.054 0.000 0.983 346 T HN 0.616 nan 8.240 nan 0.000 0.455 347 L N 1.175 122.458 121.223 0.101 0.000 3.664 347 L HA 0.265 4.605 4.340 0.000 0.000 0.341 347 L C -0.426 176.536 176.870 0.153 0.000 1.247 347 L CA -0.993 53.896 54.840 0.082 0.000 1.133 347 L CB 0.186 42.328 42.059 0.138 0.000 1.498 347 L HN 0.812 nan 8.230 nan 0.000 0.628 348 Y N -1.666 118.793 120.300 0.266 0.000 2.457 348 Y HA 0.388 4.938 4.550 0.000 0.000 0.341 348 Y C 0.311 176.427 175.900 0.359 0.000 1.240 348 Y CA -1.178 57.108 58.100 0.311 0.000 1.437 348 Y CB -0.280 38.427 38.460 0.411 0.000 1.328 348 Y HN 0.065 nan 8.280 nan 0.000 0.588 349 F N 1.316 121.442 119.950 0.293 0.000 2.807 349 F HA -0.299 4.228 4.527 0.000 0.000 0.297 349 F C -0.053 175.789 175.800 0.070 0.000 1.024 349 F CA 0.769 58.865 58.000 0.159 0.000 1.008 349 F CB -1.313 37.807 39.000 0.199 0.000 1.142 349 F HN 0.742 nan 8.300 nan 0.000 0.829 350 N N 0.137 118.920 118.700 0.139 0.000 3.427 350 N HA 0.350 5.090 4.740 0.000 0.000 0.364 350 N C -0.124 175.422 175.510 0.059 0.000 1.538 350 N CA -0.665 52.439 53.050 0.091 0.000 0.662 350 N CB 0.591 39.117 38.487 0.064 0.000 1.881 350 N HN 0.177 nan 8.380 nan 0.000 0.634 351 N N 0.555 119.283 118.700 0.046 0.000 2.599 351 N HA 0.351 5.091 4.740 0.000 0.000 0.309 351 N C -1.484 174.044 175.510 0.029 0.000 1.743 351 N CA -0.106 52.965 53.050 0.036 0.000 0.918 351 N CB -0.317 38.191 38.487 0.034 0.000 1.339 351 N HN 0.385 nan 8.380 nan 0.000 0.493 352 I N 0.386 120.976 120.570 0.033 0.000 2.342 352 I HA 0.173 4.343 4.170 0.000 0.000 0.291 352 I C 0.913 177.041 176.117 0.018 0.000 1.010 352 I CA -0.171 61.141 61.300 0.020 0.000 1.308 352 I CB 1.570 39.578 38.000 0.013 0.000 1.400 352 I HN 0.134 nan 8.210 nan 0.000 0.488 353 S N 2.496 118.197 115.700 0.002 0.000 2.499 353 S HA 0.013 4.483 4.470 0.000 0.000 0.225 353 S C 0.270 174.854 174.600 -0.026 0.000 1.050 353 S CA 0.222 58.421 58.200 -0.003 0.000 0.928 353 S CB 0.067 63.266 63.200 -0.001 0.000 0.803 353 S HN 0.708 nan 8.310 nan 0.000 0.506 354 D N 0.770 121.146 120.400 -0.041 0.000 2.453 354 D HA 0.325 4.965 4.640 0.000 0.000 0.238 354 D C 0.081 176.326 176.300 -0.091 0.000 1.088 354 D CA -0.418 53.547 54.000 -0.057 0.000 0.854 354 D CB 0.755 41.530 40.800 -0.042 0.000 1.076 354 D HN -0.057 nan 8.370 nan 0.000 0.533 355 I N 2.864 123.353 120.570 -0.136 0.000 3.684 355 I HA -0.046 4.124 4.170 0.000 0.000 0.304 355 I C 1.775 177.792 176.117 -0.167 0.000 1.278 355 I CA 0.604 61.772 61.300 -0.221 0.000 1.272 355 I CB -0.210 37.535 38.000 -0.425 0.000 1.029 355 I HN 0.421 nan 8.210 nan 0.000 0.458 356 S N 0.522 116.157 115.700 -0.109 0.000 2.447 356 S HA 0.058 4.528 4.470 0.000 0.000 0.233 356 S C -0.469 174.089 174.600 -0.071 0.000 1.006 356 S CA 0.356 58.506 58.200 -0.084 0.000 0.957 356 S CB -1.742 61.421 63.200 -0.060 0.000 0.773 356 S HN 0.301 nan 8.310 nan 0.000 0.507 357 P HA -0.042 nan 4.420 nan 0.000 0.221 357 P C 1.730 178.999 177.300 -0.052 0.000 1.145 357 P CA 1.053 64.122 63.100 -0.052 0.000 0.795 357 P CB -0.378 31.294 31.700 -0.047 0.000 0.775 358 V N -2.877 116.993 119.914 -0.073 0.000 3.129 358 V HA -0.076 4.044 4.120 0.000 0.000 0.259 358 V C 2.011 178.076 176.094 -0.049 0.000 1.116 358 V CA 1.663 63.924 62.300 -0.065 0.000 1.127 358 V CB -1.580 30.183 31.823 -0.100 0.000 0.742 358 V HN 0.150 nan 8.190 nan 0.000 0.474 359 S N 0.098 115.767 115.700 -0.051 0.000 2.481 359 S HA -0.083 4.387 4.470 0.000 0.000 0.231 359 S C 1.884 176.470 174.600 -0.024 0.000 0.996 359 S CA 1.281 59.458 58.200 -0.037 0.000 0.942 359 S CB -0.570 62.606 63.200 -0.040 0.000 0.768 359 S HN 0.557 nan 8.310 nan 0.000 0.520 360 S N 1.315 117.001 115.700 -0.023 0.000 2.474 360 S HA 0.216 4.687 4.470 0.000 0.000 0.235 360 S C 0.649 175.244 174.600 -0.008 0.000 0.997 360 S CA 0.521 58.712 58.200 -0.015 0.000 0.949 360 S CB -0.389 62.802 63.200 -0.016 0.000 0.766 360 S HN 0.521 nan 8.310 nan 0.000 0.517 361 L N 2.624 123.843 121.223 -0.008 0.000 2.589 361 L HA 0.201 4.541 4.340 0.000 0.000 0.244 361 L C 1.575 178.448 176.870 0.005 0.000 1.159 361 L CA -0.309 54.531 54.840 0.000 0.000 1.074 361 L CB 0.036 42.095 42.059 0.000 0.000 1.391 361 L HN 0.242 nan 8.230 nan 0.000 0.423 362 T N -3.102 111.456 114.554 0.005 0.000 2.929 362 T HA -0.172 4.178 4.350 0.000 0.000 0.271 362 T C 1.491 176.199 174.700 0.014 0.000 1.085 362 T CA 1.029 63.133 62.100 0.007 0.000 1.125 362 T CB -0.029 68.842 68.868 0.005 0.000 0.874 362 T HN 0.368 nan 8.240 nan 0.000 0.494 363 K N 0.175 120.586 120.400 0.018 0.000 2.393 363 K HA 0.348 4.668 4.320 0.000 0.000 0.193 363 K C 0.328 176.949 176.600 0.035 0.000 1.026 363 K CA -0.281 56.021 56.287 0.025 0.000 1.064 363 K CB -0.030 32.485 32.500 0.025 0.000 0.833 363 K HN 0.363 nan 8.250 nan 0.000 0.521 364 L N 2.112 123.356 121.223 0.034 0.000 2.706 364 L HA -0.182 4.158 4.340 0.000 0.000 0.282 364 L C 1.159 178.061 176.870 0.052 0.000 1.219 364 L CA 0.659 55.526 54.840 0.045 0.000 0.935 364 L CB 0.302 42.381 42.059 0.033 0.000 1.204 364 L HN 0.312 nan 8.230 nan 0.000 0.491 365 Q N 2.803 122.644 119.800 0.069 0.000 2.402 365 Q HA 0.206 4.546 4.340 0.000 0.000 0.231 365 Q C -0.006 176.045 176.000 0.085 0.000 0.888 365 Q CA 0.360 56.208 55.803 0.076 0.000 0.938 365 Q CB 0.770 29.549 28.738 0.068 0.000 1.086 365 Q HN 0.533 nan 8.270 nan 0.000 0.543 366 R N 0.671 121.222 120.500 0.085 0.000 2.514 366 R HA 0.446 4.786 4.340 0.000 0.000 0.296 366 R C -1.880 174.383 176.300 -0.062 0.000 1.012 366 R CA -0.553 55.567 56.100 0.033 0.000 0.897 366 R CB 1.824 32.237 30.300 0.189 0.000 1.184 366 R HN -0.079 nan 8.270 nan 0.000 0.440 367 L N 4.245 125.353 121.223 -0.192 0.000 2.376 367 L HA 0.577 4.917 4.340 0.000 0.000 0.275 367 L C -1.722 175.017 176.870 -0.218 0.000 0.987 367 L CA -0.413 54.380 54.840 -0.078 0.000 0.828 367 L CB 1.196 43.305 42.059 0.084 0.000 1.249 367 L HN 0.446 nan 8.230 nan 0.000 0.409 368 F N 6.448 126.512 119.950 0.190 0.000 2.427 368 F HA 0.468 4.995 4.527 0.000 0.000 0.348 368 F C 0.029 176.070 175.800 0.402 0.000 1.125 368 F CA -0.557 57.602 58.000 0.266 0.000 0.989 368 F CB 1.056 40.245 39.000 0.316 0.000 1.165 368 F HN 0.448 nan 8.300 nan 0.000 0.442 369 F N 1.236 121.377 119.950 0.318 0.000 2.811 369 F HA 0.367 4.894 4.527 0.000 0.000 0.342 369 F C -0.546 175.388 175.800 0.224 0.000 1.203 369 F CA -1.327 56.821 58.000 0.247 0.000 1.173 369 F CB -1.169 37.903 39.000 0.119 0.000 1.094 369 F HN 0.333 nan 8.300 nan 0.000 0.510 370 Y N 3.230 123.553 120.300 0.038 0.000 2.805 370 Y HA 0.114 4.664 4.550 0.000 0.000 0.337 370 Y C 1.154 176.941 175.900 -0.188 0.000 1.252 370 Y CA 0.775 58.828 58.100 -0.077 0.000 1.515 370 Y CB 0.291 38.724 38.460 -0.045 0.000 1.305 370 Y HN 0.543 nan 8.280 nan 0.000 0.600 371 N N 4.031 122.210 118.700 -0.868 0.000 2.663 371 N HA -0.248 4.492 4.740 0.000 0.000 0.263 371 N C -1.747 173.530 175.510 -0.388 0.000 1.109 371 N CA 0.903 53.389 53.050 -0.940 0.000 0.701 371 N CB -1.163 36.278 38.487 -1.743 0.000 0.879 371 N HN 0.878 nan 8.380 nan 0.000 0.550 372 N N 0.556 119.182 118.700 -0.124 0.000 3.550 372 N HA 0.370 5.110 4.740 0.000 0.000 0.345 372 N C -0.244 175.301 175.510 0.058 0.000 1.647 372 N CA -0.424 52.634 53.050 0.014 0.000 0.737 372 N CB 0.507 39.069 38.487 0.125 0.000 2.178 372 N HN 0.197 nan 8.380 nan 0.000 0.638 373 K N 0.855 121.301 120.400 0.077 0.000 2.934 373 K HA 0.344 4.664 4.320 0.000 0.000 0.210 373 K C -0.844 175.799 176.600 0.072 0.000 1.122 373 K CA -0.106 56.226 56.287 0.074 0.000 1.033 373 K CB 1.044 33.576 32.500 0.053 0.000 0.779 373 K HN 0.137 nan 8.250 nan 0.000 0.459 374 V N 1.803 121.784 119.914 0.112 0.000 2.530 374 V HA 0.010 4.130 4.120 0.000 0.000 0.282 374 V C 1.238 177.374 176.094 0.068 0.000 1.048 374 V CA 0.155 62.509 62.300 0.091 0.000 0.997 374 V CB 1.275 33.196 31.823 0.163 0.000 0.987 374 V HN 0.455 nan 8.190 nan 0.000 0.477 375 S N 2.604 118.305 115.700 0.001 0.000 2.783 375 S HA 0.083 4.553 4.470 0.000 0.000 0.205 375 S C 0.726 175.293 174.600 -0.055 0.000 0.910 375 S CA 0.028 58.193 58.200 -0.060 0.000 0.861 375 S CB -0.257 62.868 63.200 -0.125 0.000 0.830 375 S HN 0.657 nan 8.310 nan 0.000 0.630 376 D N 1.871 122.235 120.400 -0.059 0.000 2.383 376 D HA 0.101 4.741 4.640 0.000 0.000 0.275 376 D C 0.305 176.584 176.300 -0.035 0.000 1.344 376 D CA 0.217 54.187 54.000 -0.050 0.000 0.984 376 D CB 0.729 41.498 40.800 -0.051 0.000 1.104 376 D HN 0.134 nan 8.370 nan 0.000 0.524 377 V N 3.399 123.301 119.914 -0.020 0.000 3.596 377 V HA -0.078 4.042 4.120 0.000 0.000 0.289 377 V C 1.999 178.081 176.094 -0.020 0.000 1.336 377 V CA 1.103 63.402 62.300 -0.001 0.000 1.137 377 V CB -0.232 31.611 31.823 0.033 0.000 0.966 377 V HN 0.661 nan 8.190 nan 0.000 0.428 378 S N 0.131 115.813 115.700 -0.031 0.000 2.453 378 S HA -0.151 4.319 4.470 0.000 0.000 0.231 378 S C 2.167 176.750 174.600 -0.029 0.000 1.005 378 S CA 1.281 59.464 58.200 -0.029 0.000 0.949 378 S CB -0.410 62.772 63.200 -0.029 0.000 0.774 378 S HN 0.744 nan 8.310 nan 0.000 0.510 379 S N 2.696 118.373 115.700 -0.037 0.000 2.400 379 S HA 0.019 4.489 4.470 0.000 0.000 0.232 379 S C 1.816 176.395 174.600 -0.034 0.000 1.025 379 S CA 1.017 59.194 58.200 -0.039 0.000 0.993 379 S CB -1.000 62.168 63.200 -0.054 0.000 0.808 379 S HN 0.543 nan 8.310 nan 0.000 0.478 380 L N 1.273 122.478 121.223 -0.031 0.000 2.265 380 L HA -0.073 4.267 4.340 0.000 0.000 0.215 380 L C 3.125 179.991 176.870 -0.007 0.000 1.117 380 L CA 0.857 55.688 54.840 -0.014 0.000 0.782 380 L CB -1.154 40.911 42.059 0.011 0.000 0.914 380 L HN 0.474 nan 8.230 nan 0.000 0.441 381 A N 1.805 124.618 122.820 -0.011 0.000 1.954 381 A HA -0.278 4.042 4.320 0.000 0.000 0.222 381 A C 1.835 179.415 177.584 -0.007 0.000 1.199 381 A CA 2.372 54.403 52.037 -0.010 0.000 0.657 381 A CB -0.962 18.030 19.000 -0.014 0.000 0.823 381 A HN 0.763 nan 8.150 nan 0.000 0.463 382 N N -0.155 118.540 118.700 -0.009 0.000 2.449 382 N HA 0.053 4.793 4.740 0.000 0.000 0.191 382 N C 0.081 175.590 175.510 -0.001 0.000 1.161 382 N CA 0.114 53.160 53.050 -0.006 0.000 0.863 382 N CB -0.159 38.323 38.487 -0.008 0.000 0.980 382 N HN 0.498 nan 8.380 nan 0.000 0.458 383 L N 2.506 123.730 121.223 0.002 0.000 2.480 383 L HA 0.123 4.463 4.340 0.000 0.000 0.243 383 L C 1.635 178.513 176.870 0.014 0.000 1.315 383 L CA -0.351 54.495 54.840 0.009 0.000 1.231 383 L CB -0.069 41.998 42.059 0.013 0.000 1.444 383 L HN 0.172 nan 8.230 nan 0.000 0.409 384 T N -3.439 111.123 114.554 0.013 0.000 2.849 384 T HA -0.145 4.205 4.350 0.000 0.000 0.270 384 T C 1.359 176.072 174.700 0.022 0.000 1.066 384 T CA 1.075 63.183 62.100 0.014 0.000 1.130 384 T CB -0.078 68.797 68.868 0.011 0.000 0.864 384 T HN 0.434 nan 8.240 nan 0.000 0.481 385 N N 0.436 119.152 118.700 0.026 0.000 2.299 385 N HA 0.231 4.971 4.740 0.000 0.000 0.187 385 N C 0.221 175.761 175.510 0.048 0.000 1.099 385 N CA -0.175 52.896 53.050 0.035 0.000 0.867 385 N CB 0.071 38.578 38.487 0.032 0.000 0.974 385 N HN 0.394 nan 8.380 nan 0.000 0.477 386 I N 2.224 122.821 120.570 0.046 0.000 2.741 386 I HA -0.126 4.045 4.170 0.000 0.000 0.288 386 I C 1.066 177.234 176.117 0.084 0.000 1.192 386 I CA 0.451 61.787 61.300 0.060 0.000 1.426 386 I CB 0.493 38.520 38.000 0.045 0.000 1.367 386 I HN 0.008 nan 8.210 nan 0.000 0.563 387 N N 5.330 124.116 118.700 0.143 0.000 2.606 387 N HA 0.054 4.794 4.740 0.000 0.000 0.208 387 N C -0.806 174.895 175.510 0.318 0.000 1.046 387 N CA 0.449 53.638 53.050 0.231 0.000 0.891 387 N CB 0.034 38.708 38.487 0.311 0.000 1.344 387 N HN 0.428 nan 8.380 nan 0.000 0.437 388 W N 1.843 123.098 121.300 -0.075 0.000 2.329 388 W HA 0.525 5.185 4.660 0.000 0.000 0.312 388 W C -0.604 175.745 176.519 -0.285 0.000 1.054 388 W CA -0.761 56.476 57.345 -0.179 0.000 1.245 388 W CB 0.401 29.733 29.460 -0.214 0.000 1.255 388 W HN -0.138 nan 8.180 nan 0.000 0.436 389 L N 4.071 125.239 121.223 -0.090 0.000 2.345 389 L HA 0.537 4.877 4.340 0.000 0.000 0.274 389 L C -0.253 176.496 176.870 -0.201 0.000 0.999 389 L CA -0.302 54.463 54.840 -0.124 0.000 0.849 389 L CB 1.464 43.495 42.059 -0.046 0.000 1.220 389 L HN 0.235 nan 8.230 nan 0.000 0.422 390 S N 4.137 119.667 115.700 -0.284 0.000 2.601 390 S HA 0.788 5.258 4.470 0.000 0.000 0.312 390 S C 0.209 174.602 174.600 -0.346 0.000 1.107 390 S CA 0.162 58.233 58.200 -0.215 0.000 1.129 390 S CB 0.841 63.991 63.200 -0.083 0.000 0.982 390 S HN 0.869 nan 8.310 nan 0.000 0.469 391 A N 3.799 126.404 122.820 -0.358 0.000 2.610 391 A HA 0.640 4.960 4.320 0.000 0.000 0.290 391 A C 0.814 178.253 177.584 -0.241 0.000 1.001 391 A CA -0.180 51.460 52.037 -0.662 0.000 1.004 391 A CB -0.267 18.315 19.000 -0.697 0.000 1.220 391 A HN 0.916 nan 8.150 nan 0.000 0.507 392 G N -1.421 107.387 108.800 0.014 0.000 2.636 392 G HA2 0.354 4.314 3.960 0.000 0.000 0.246 392 G HA3 0.354 4.314 3.960 0.000 0.000 0.246 392 G C 0.505 175.287 174.900 -0.198 0.000 1.216 392 G CA 0.404 45.585 45.100 0.135 0.000 0.854 392 G HN 0.833 nan 8.290 nan 0.000 0.572 393 H N -0.395 118.488 119.070 -0.311 0.000 2.713 393 H HA -0.143 4.413 4.556 0.000 0.000 0.311 393 H C 0.256 175.373 175.328 -0.353 0.000 1.175 393 H CA 1.138 56.897 56.048 -0.483 0.000 1.143 393 H CB -1.282 27.816 29.762 -1.108 0.000 1.434 393 H HN 0.591 nan 8.280 nan 0.000 0.418 394 N N 0.009 118.708 118.700 -0.002 0.000 3.117 394 N HA 0.243 4.983 4.740 0.000 0.000 0.332 394 N C 0.316 175.914 175.510 0.146 0.000 1.385 394 N CA -0.405 52.696 53.050 0.085 0.000 0.683 394 N CB 0.498 39.059 38.487 0.123 0.000 1.272 394 N HN 0.350 nan 8.380 nan 0.000 0.522 395 Q N 0.655 120.558 119.800 0.171 0.000 2.215 395 Q HA 0.432 4.772 4.340 0.000 0.000 0.337 395 Q C -0.835 175.211 176.000 0.077 0.000 0.887 395 Q CA -0.079 55.852 55.803 0.214 0.000 1.134 395 Q CB 0.635 29.451 28.738 0.130 0.000 1.303 395 Q HN 0.400 nan 8.270 nan 0.000 0.421 396 I N 1.559 122.255 120.570 0.212 0.000 2.337 396 I HA 0.019 4.189 4.170 0.000 0.000 0.291 396 I C 1.132 177.418 176.117 0.281 0.000 1.046 396 I CA 0.169 61.561 61.300 0.154 0.000 1.324 396 I CB 1.229 39.334 38.000 0.175 0.000 1.409 396 I HN 0.224 nan 8.210 nan 0.000 0.494 397 S N 2.328 117.986 115.700 -0.070 0.000 2.523 397 S HA 0.149 4.619 4.470 0.000 0.000 0.217 397 S C 0.177 174.881 174.600 0.173 0.000 0.996 397 S CA -0.316 57.889 58.200 0.008 0.000 0.921 397 S CB 0.171 63.057 63.200 -0.524 0.000 0.829 397 S HN 0.640 nan 8.310 nan 0.000 0.495 398 D N 0.760 121.202 120.400 0.070 0.000 2.602 398 D HA 0.365 5.005 4.640 0.000 0.000 0.245 398 D C 0.220 176.475 176.300 -0.076 0.000 1.325 398 D CA -0.486 53.520 54.000 0.011 0.000 0.952 398 D CB 1.232 42.015 40.800 -0.028 0.000 1.317 398 D HN 0.150 nan 8.370 nan 0.000 0.577 399 L N 2.394 123.544 121.223 -0.123 0.000 2.607 399 L HA 0.109 4.449 4.340 0.000 0.000 0.228 399 L C 2.303 179.116 176.870 -0.096 0.000 1.123 399 L CA 0.367 55.093 54.840 -0.189 0.000 0.890 399 L CB -0.352 41.514 42.059 -0.322 0.000 1.103 399 L HN 0.441 nan 8.230 nan 0.000 0.468 400 T N -1.440 113.081 114.554 -0.054 0.000 2.737 400 T HA -0.115 4.235 4.350 0.000 0.000 0.269 400 T C -0.475 174.205 174.700 -0.034 0.000 1.040 400 T CA 1.055 63.135 62.100 -0.034 0.000 1.142 400 T CB -1.681 67.176 68.868 -0.019 0.000 0.861 400 T HN 0.192 nan 8.240 nan 0.000 0.456 401 P HA 0.200 nan 4.420 nan 0.000 0.234 401 P C 0.993 178.277 177.300 -0.028 0.000 1.167 401 P CA 0.528 63.611 63.100 -0.029 0.000 0.763 401 P CB -0.332 31.351 31.700 -0.029 0.000 0.835 402 L N -2.119 119.081 121.223 -0.038 0.000 2.592 402 L HA 0.263 4.603 4.340 0.000 0.000 0.227 402 L C 2.174 179.025 176.870 -0.031 0.000 1.127 402 L CA 0.109 54.928 54.840 -0.035 0.000 0.884 402 L CB -0.784 41.242 42.059 -0.055 0.000 1.065 402 L HN -0.095 nan 8.230 nan 0.000 0.457 403 A N 1.103 123.907 122.820 -0.028 0.000 1.908 403 A HA -0.185 4.135 4.320 0.000 0.000 0.218 403 A C 1.712 179.288 177.584 -0.014 0.000 1.181 403 A CA 1.709 53.734 52.037 -0.021 0.000 0.627 403 A CB -0.373 18.618 19.000 -0.016 0.000 0.818 403 A HN 0.482 nan 8.150 nan 0.000 0.445 404 N N -0.105 118.589 118.700 -0.010 0.000 2.322 404 N HA 0.164 4.904 4.740 0.000 0.000 0.216 404 N C -0.332 175.176 175.510 -0.003 0.000 1.144 404 N CA 0.157 53.204 53.050 -0.005 0.000 0.830 404 N CB 0.200 38.685 38.487 -0.004 0.000 1.034 404 N HN 0.430 nan 8.380 nan 0.000 0.484 405 L N 1.350 122.570 121.223 -0.005 0.000 2.648 405 L HA 0.146 4.486 4.340 0.000 0.000 0.238 405 L C 1.297 178.168 176.870 0.001 0.000 1.316 405 L CA -0.143 54.697 54.840 -0.000 0.000 1.241 405 L CB -0.407 41.651 42.059 -0.001 0.000 1.499 405 L HN 0.046 nan 8.230 nan 0.000 0.411 406 T N -4.075 110.482 114.554 0.004 0.000 3.148 406 T HA 0.009 4.359 4.350 0.000 0.000 0.253 406 T C 1.490 176.198 174.700 0.012 0.000 1.134 406 T CA 0.175 62.278 62.100 0.005 0.000 1.051 406 T CB -0.164 68.707 68.868 0.005 0.000 0.959 406 T HN 0.388 nan 8.240 nan 0.000 0.525 407 R N 0.367 120.880 120.500 0.021 0.000 2.334 407 R HA 0.391 4.731 4.340 0.000 0.000 0.220 407 R C 0.148 176.476 176.300 0.046 0.000 0.917 407 R CA -0.175 55.946 56.100 0.035 0.000 1.073 407 R CB -0.026 30.299 30.300 0.042 0.000 1.056 407 R HN 0.448 nan 8.270 nan 0.000 0.506 408 I N 1.523 122.108 120.570 0.025 0.000 2.556 408 I HA -0.048 4.122 4.170 0.000 0.000 0.284 408 I C 1.250 177.361 176.117 -0.009 0.000 1.114 408 I CA 0.660 61.966 61.300 0.010 0.000 1.418 408 I CB 1.301 39.288 38.000 -0.020 0.000 1.394 408 I HN 0.182 nan 8.210 nan 0.000 0.552 409 T N 1.066 115.604 114.554 -0.028 0.000 3.009 409 T HA 0.218 4.568 4.350 0.000 0.000 0.267 409 T C 0.367 174.940 174.700 -0.212 0.000 0.942 409 T CA -0.264 61.802 62.100 -0.057 0.000 0.883 409 T CB 0.578 69.467 68.868 0.035 0.000 1.192 409 T HN 0.436 nan 8.240 nan 0.000 0.524 410 Q N 1.007 120.593 119.800 -0.357 0.000 2.269 410 Q HA 0.677 5.017 4.340 0.000 0.000 0.263 410 Q C -1.832 173.936 176.000 -0.387 0.000 0.983 410 Q CA -0.483 54.969 55.803 -0.585 0.000 0.777 410 Q CB 2.670 30.553 28.738 -1.424 0.000 1.273 410 Q HN 0.409 nan 8.270 nan 0.000 0.440 411 L N 0.650 121.716 121.223 -0.262 0.000 2.370 411 L HA 0.962 5.302 4.340 0.000 0.000 0.266 411 L C -0.704 176.085 176.870 -0.135 0.000 1.002 411 L CA -0.226 54.511 54.840 -0.172 0.000 0.818 411 L CB 2.429 44.419 42.059 -0.115 0.000 1.325 411 L HN 0.565 nan 8.230 nan 0.000 0.418 412 G N 3.938 112.674 108.800 -0.107 0.000 2.719 412 G HA2 0.592 4.552 3.960 0.000 0.000 0.298 412 G HA3 0.592 4.552 3.960 0.000 0.000 0.298 412 G C -0.950 173.942 174.900 -0.013 0.000 1.433 412 G CA -0.340 44.734 45.100 -0.044 0.000 1.034 412 G HN 0.631 nan 8.290 nan 0.000 0.517 413 L N 1.106 122.366 121.223 0.062 0.000 3.573 413 L HA 0.183 4.523 4.340 0.000 0.000 0.335 413 L C 0.305 177.328 176.870 0.256 0.000 1.321 413 L CA -0.582 54.338 54.840 0.132 0.000 1.009 413 L CB 0.181 42.284 42.059 0.074 0.000 1.417 413 L HN 0.658 nan 8.230 nan 0.000 0.619 414 N N -1.270 117.533 118.700 0.171 0.000 2.499 414 N HA 0.258 4.998 4.740 0.000 0.000 0.281 414 N C -0.510 175.041 175.510 0.068 0.000 1.098 414 N CA -0.599 52.521 53.050 0.116 0.000 0.979 414 N CB 0.635 39.174 38.487 0.087 0.000 1.121 414 N HN -0.001 nan 8.380 nan 0.000 0.466 415 D N -0.467 119.892 120.400 -0.069 0.000 2.873 415 D HA -0.144 4.496 4.640 0.000 0.000 0.228 415 D C -0.600 175.562 176.300 -0.231 0.000 1.122 415 D CA 0.658 54.558 54.000 -0.166 0.000 0.758 415 D CB -0.875 39.876 40.800 -0.082 0.000 1.094 415 D HN 0.633 nan 8.370 nan 0.000 0.434 416 Q N -0.232 119.501 119.800 -0.111 0.000 2.414 416 Q HA 0.465 4.805 4.340 0.000 0.000 0.288 416 Q C 0.517 176.449 176.000 -0.113 0.000 1.086 416 Q CA 0.680 56.492 55.803 0.016 0.000 0.943 416 Q CB 0.781 29.745 28.738 0.377 0.000 1.282 416 Q HN 0.485 nan 8.270 nan 0.000 0.438 417 A N 1.114 123.943 122.820 0.015 0.000 2.594 417 A HA 0.778 5.098 4.320 0.000 0.000 0.295 417 A C -1.902 175.813 177.584 0.217 0.000 1.071 417 A CA -0.729 51.258 52.037 -0.083 0.000 0.685 417 A CB 1.266 20.149 19.000 -0.195 0.000 1.285 417 A HN 0.760 nan 8.150 nan 0.000 0.405 418 W N -0.617 120.649 121.300 -0.056 0.000 3.153 418 W HA 0.718 5.378 4.660 0.000 0.000 0.316 418 W C -1.392 175.097 176.519 -0.050 0.000 1.255 418 W CA -0.587 56.739 57.345 -0.031 0.000 1.192 418 W CB 0.792 30.256 29.460 0.006 0.000 1.400 418 W HN 0.592 nan 8.180 nan 0.000 0.568 419 T N 3.468 118.138 114.554 0.192 0.000 2.809 419 T HA 0.275 4.625 4.350 0.000 0.000 0.284 419 T C -0.358 174.463 174.700 0.201 0.000 0.992 419 T CA -0.649 61.502 62.100 0.084 0.000 0.957 419 T CB 0.390 69.281 68.868 0.039 0.000 0.942 419 T HN 0.385 nan 8.240 nan 0.000 0.439 420 N N 2.092 120.908 118.700 0.193 0.000 2.441 420 N HA 0.292 5.032 4.740 0.000 0.000 0.251 420 N C 0.399 175.973 175.510 0.107 0.000 1.242 420 N CA -0.191 52.969 53.050 0.184 0.000 0.898 420 N CB 0.337 38.934 38.487 0.184 0.000 1.100 420 N HN 0.819 nan 8.380 nan 0.000 0.443 421 A N 2.721 125.598 122.820 0.096 0.000 2.561 421 A HA 0.155 4.475 4.320 0.000 0.000 0.234 421 A C -1.790 175.832 177.584 0.063 0.000 1.055 421 A CA -0.636 51.442 52.037 0.068 0.000 0.756 421 A CB -0.581 18.456 19.000 0.061 0.000 0.986 421 A HN 0.507 nan 8.150 nan 0.000 0.505 422 P HA 0.319 nan 4.420 nan 0.000 0.272 422 P C -0.245 177.089 177.300 0.057 0.000 1.223 422 P CA 0.061 63.190 63.100 0.048 0.000 0.784 422 P CB 0.867 32.596 31.700 0.048 0.000 0.923 423 V N -0.705 119.244 119.914 0.058 0.000 3.113 423 V HA 0.489 4.609 4.120 0.000 0.000 0.316 423 V C -0.111 176.033 176.094 0.083 0.000 1.125 423 V CA -1.381 60.960 62.300 0.067 0.000 1.026 423 V CB 1.331 33.197 31.823 0.071 0.000 1.080 423 V HN 0.386 nan 8.190 nan 0.000 0.444 424 N N 1.468 120.218 118.700 0.084 0.000 2.447 424 N HA 0.173 4.913 4.740 0.000 0.000 0.263 424 N C -0.849 174.739 175.510 0.131 0.000 1.226 424 N CA -0.150 52.965 53.050 0.109 0.000 0.906 424 N CB 0.295 38.824 38.487 0.070 0.000 1.060 424 N HN 0.833 nan 8.380 nan 0.000 0.468 425 Y N 3.612 123.972 120.300 0.100 0.000 2.620 425 Y HA 0.010 4.560 4.550 0.000 0.000 0.330 425 Y C -0.414 175.538 175.900 0.087 0.000 1.186 425 Y CA 0.307 58.466 58.100 0.097 0.000 1.467 425 Y CB 0.340 38.935 38.460 0.225 0.000 1.262 425 Y HN 0.371 nan 8.280 nan 0.000 0.550 426 K N 4.517 124.472 120.400 -0.741 0.000 2.477 426 K HA 0.646 4.966 4.320 0.000 0.000 0.255 426 K C 0.312 176.416 176.600 -0.827 0.000 0.952 426 K CA -0.449 55.429 56.287 -0.682 0.000 0.826 426 K CB 1.968 34.323 32.500 -0.243 0.000 1.331 426 K HN 0.597 nan 8.250 nan 0.000 0.437 427 A N 1.736 124.230 122.820 -0.543 0.000 1.902 427 A HA -0.162 4.158 4.320 0.000 0.000 0.217 427 A C 0.824 178.397 177.584 -0.019 0.000 1.181 427 A CA 1.654 53.597 52.037 -0.158 0.000 0.623 427 A CB -0.629 18.350 19.000 -0.036 0.000 0.818 427 A HN 0.831 nan 8.150 nan 0.000 0.443 428 N N -0.477 118.203 118.700 -0.034 0.000 2.455 428 N HA 0.309 5.049 4.740 0.000 0.000 0.258 428 N C -0.208 175.340 175.510 0.064 0.000 1.158 428 N CA -0.132 52.938 53.050 0.033 0.000 0.893 428 N CB 0.797 39.293 38.487 0.015 0.000 1.173 428 N HN 0.253 nan 8.380 nan 0.000 0.503 429 V N 0.438 120.397 119.914 0.076 0.000 2.928 429 V HA 0.074 4.194 4.120 0.000 0.000 0.307 429 V C 0.186 176.461 176.094 0.301 0.000 1.105 429 V CA 0.658 63.044 62.300 0.143 0.000 1.223 429 V CB 1.194 33.081 31.823 0.105 0.000 0.930 429 V HN 0.327 nan 8.190 nan 0.000 0.499 430 S N 5.973 121.826 115.700 0.255 0.000 2.546 430 S HA 0.713 5.183 4.470 0.000 0.000 0.272 430 S C -0.887 173.868 174.600 0.258 0.000 1.140 430 S CA -0.577 57.773 58.200 0.250 0.000 0.920 430 S CB 1.310 64.570 63.200 0.098 0.000 1.083 430 S HN 1.068 nan 8.310 nan 0.000 0.476 431 I N 1.396 122.156 120.570 0.317 0.000 2.785 431 I HA 0.771 4.941 4.170 0.000 0.000 0.302 431 I C -2.802 173.422 176.117 0.179 0.000 1.069 431 I CA -2.935 58.526 61.300 0.269 0.000 1.045 431 I CB 2.565 40.789 38.000 0.373 0.000 1.236 431 I HN 0.353 nan 8.210 nan 0.000 0.429 432 P HA 0.064 nan 4.420 nan 0.000 0.276 432 P C -0.864 176.528 177.300 0.154 0.000 1.235 432 P CA -0.113 63.061 63.100 0.124 0.000 0.772 432 P CB 0.621 32.385 31.700 0.107 0.000 0.871 433 N N 2.291 121.049 118.700 0.097 0.000 2.447 433 N HA -0.015 4.725 4.740 0.000 0.000 0.263 433 N C 1.077 176.659 175.510 0.120 0.000 1.226 433 N CA 0.480 53.556 53.050 0.044 0.000 0.906 433 N CB 0.194 38.672 38.487 -0.015 0.000 1.060 433 N HN 0.385 nan 8.380 nan 0.000 0.468 434 T N -0.611 114.062 114.554 0.200 0.000 3.023 434 T HA 0.147 4.497 4.350 0.000 0.000 0.253 434 T C 0.452 175.212 174.700 0.099 0.000 1.038 434 T CA -0.255 61.941 62.100 0.159 0.000 0.962 434 T CB -0.162 68.828 68.868 0.203 0.000 1.018 434 T HN 0.087 nan 8.240 nan 0.000 0.521 435 V N 2.419 122.359 119.914 0.044 0.000 2.439 435 V HA 0.373 4.493 4.120 0.000 0.000 0.271 435 V C 0.120 176.178 176.094 -0.060 0.000 1.040 435 V CA -0.404 61.822 62.300 -0.124 0.000 1.002 435 V CB 0.507 31.956 31.823 -0.624 0.000 1.000 435 V HN 0.384 nan 8.190 nan 0.000 0.477 436 K N 4.315 124.752 120.400 0.061 0.000 2.376 436 K HA 0.390 4.710 4.320 0.000 0.000 0.257 436 K C -0.199 176.496 176.600 0.159 0.000 0.939 436 K CA -0.737 55.597 56.287 0.077 0.000 0.809 436 K CB 1.335 33.862 32.500 0.045 0.000 1.121 436 K HN 0.657 nan 8.250 nan 0.000 0.425 437 N N 1.667 120.447 118.700 0.133 0.000 2.327 437 N HA 0.001 4.741 4.740 0.000 0.000 0.257 437 N C 0.888 176.424 175.510 0.043 0.000 1.281 437 N CA -0.250 52.883 53.050 0.138 0.000 0.942 437 N CB 1.188 39.749 38.487 0.123 0.000 1.199 437 N HN 0.367 nan 8.380 nan 0.000 0.532 438 V N 0.718 120.639 119.914 0.012 0.000 2.515 438 V HA -0.182 3.938 4.120 0.000 0.000 0.250 438 V C 2.083 178.176 176.094 -0.003 0.000 1.058 438 V CA 2.738 65.026 62.300 -0.019 0.000 1.064 438 V CB -1.133 30.669 31.823 -0.035 0.000 0.675 438 V HN 0.950 nan 8.190 nan 0.000 0.461 439 T N -2.228 112.333 114.554 0.012 0.000 2.946 439 T HA 0.031 4.381 4.350 0.000 0.000 0.271 439 T C 1.693 176.401 174.700 0.013 0.000 1.104 439 T CA 1.372 63.480 62.100 0.013 0.000 1.114 439 T CB -0.354 68.527 68.868 0.022 0.000 0.867 439 T HN 1.452 nan 8.240 nan 0.000 0.513 440 G N 0.878 109.688 108.800 0.015 0.000 2.176 440 G HA2 -0.022 3.938 3.960 0.000 0.000 0.253 440 G HA3 -0.022 3.938 3.960 0.000 0.000 0.253 440 G C 0.227 175.140 174.900 0.022 0.000 0.979 440 G CA -0.039 45.070 45.100 0.015 0.000 0.641 440 G HN 1.260 nan 8.290 nan 0.000 0.530 441 A N 0.163 123.000 122.820 0.029 0.000 2.316 441 A HA 0.782 5.102 4.320 0.000 0.000 0.284 441 A C 0.670 178.278 177.584 0.039 0.000 1.115 441 A CA -0.406 51.651 52.037 0.032 0.000 0.812 441 A CB 0.516 19.535 19.000 0.032 0.000 1.064 441 A HN 0.829 nan 8.150 nan 0.000 0.489 442 L N 1.800 123.047 121.223 0.039 0.000 2.426 442 L HA 0.199 4.539 4.340 0.000 0.000 0.271 442 L C -0.073 176.806 176.870 0.014 0.000 1.169 442 L CA 0.171 55.029 54.840 0.030 0.000 0.836 442 L CB 0.377 42.469 42.059 0.056 0.000 1.112 442 L HN 0.530 nan 8.230 nan 0.000 0.465 443 I N 2.457 122.999 120.570 -0.045 0.000 2.342 443 I HA 0.251 4.421 4.170 0.000 0.000 0.291 443 I C 0.621 176.642 176.117 -0.159 0.000 1.010 443 I CA -0.280 60.982 61.300 -0.064 0.000 1.308 443 I CB 1.465 39.411 38.000 -0.089 0.000 1.400 443 I HN 0.674 nan 8.210 nan 0.000 0.488 444 A N 8.516 131.250 122.820 -0.144 0.000 2.477 444 A HA 0.377 4.697 4.320 0.000 0.000 0.246 444 A C -2.269 175.093 177.584 -0.369 0.000 1.078 444 A CA -1.039 50.780 52.037 -0.364 0.000 0.770 444 A CB -0.544 18.372 19.000 -0.139 0.000 1.011 444 A HN 0.447 nan 8.150 nan 0.000 0.494 445 P HA 0.068 nan 4.420 nan 0.000 0.263 445 P C 0.743 177.957 177.300 -0.144 0.000 1.175 445 P CA 0.876 63.786 63.100 -0.316 0.000 0.761 445 P CB 0.744 32.144 31.700 -0.500 0.000 0.794 446 A N 2.833 125.637 122.820 -0.026 0.000 1.897 446 A HA 0.069 4.389 4.320 0.000 0.000 0.215 446 A C 1.014 178.581 177.584 -0.029 0.000 1.181 446 A CA 2.049 54.068 52.037 -0.030 0.000 0.620 446 A CB -0.705 18.278 19.000 -0.028 0.000 0.821 446 A HN 0.617 nan 8.150 nan 0.000 0.443 447 T N -3.651 110.899 114.554 -0.007 0.000 2.864 447 T HA 0.692 5.043 4.350 0.000 0.000 0.299 447 T C -1.048 173.686 174.700 0.057 0.000 1.166 447 T CA -0.643 61.462 62.100 0.009 0.000 1.007 447 T CB 1.472 70.343 68.868 0.004 0.000 1.219 447 T HN 0.290 nan 8.240 nan 0.000 0.506 448 I N 2.077 122.692 120.570 0.076 0.000 2.667 448 I HA 0.334 4.504 4.170 0.000 0.000 0.288 448 I C 0.337 176.579 176.117 0.208 0.000 1.267 448 I CA -0.897 60.492 61.300 0.150 0.000 1.055 448 I CB 2.502 40.482 38.000 -0.033 0.000 1.294 448 I HN 1.009 nan 8.210 nan 0.000 0.429 449 S N 3.428 119.333 115.700 0.343 0.000 2.596 449 S HA 0.170 4.640 4.470 0.000 0.000 0.260 449 S C 0.557 175.376 174.600 0.365 0.000 1.336 449 S CA 0.043 58.404 58.200 0.267 0.000 0.993 449 S CB 0.747 64.046 63.200 0.164 0.000 0.923 449 S HN 0.835 nan 8.310 nan 0.000 0.567 450 D N 0.103 120.627 120.400 0.206 0.000 2.955 450 D HA -0.200 4.440 4.640 0.000 0.000 0.226 450 D C 0.948 177.389 176.300 0.234 0.000 1.178 450 D CA 1.259 55.379 54.000 0.200 0.000 0.808 450 D CB -1.682 39.224 40.800 0.176 0.000 1.099 450 D HN 1.476 nan 8.370 nan 0.000 0.421 451 G N -0.788 108.112 108.800 0.167 0.000 2.162 451 G HA2 -0.237 3.723 3.960 0.000 0.000 0.260 451 G HA3 -0.237 3.723 3.960 0.000 0.000 0.260 451 G C 0.722 175.652 174.900 0.049 0.000 0.976 451 G CA 0.726 45.882 45.100 0.094 0.000 0.655 451 G HN 0.806 nan 8.290 nan 0.000 0.533 452 G N -0.253 108.569 108.800 0.036 0.000 2.699 452 G HA2 0.620 4.580 3.960 0.000 0.000 0.246 452 G HA3 0.620 4.580 3.960 0.000 0.000 0.246 452 G C 0.451 175.180 174.900 -0.285 0.000 1.219 452 G CA 1.209 46.110 45.100 -0.332 0.000 0.866 452 G HN 1.845 nan 8.290 nan 0.000 0.572 453 S N -1.200 114.290 115.700 -0.350 0.000 2.651 453 S HA 0.608 5.078 4.470 0.000 0.000 0.279 453 S C -1.572 172.922 174.600 -0.177 0.000 1.148 453 S CA -0.895 57.186 58.200 -0.199 0.000 0.837 453 S CB 1.906 65.037 63.200 -0.116 0.000 1.138 453 S HN 0.801 nan 8.310 nan 0.000 0.478 454 Y N 0.761 120.919 120.300 -0.236 0.000 2.393 454 Y HA 0.678 5.228 4.550 0.000 0.000 0.341 454 Y C -0.834 174.973 175.900 -0.154 0.000 0.988 454 Y CA -0.323 57.644 58.100 -0.220 0.000 1.078 454 Y CB 2.184 40.519 38.460 -0.208 0.000 1.203 454 Y HN 0.891 nan 8.280 nan 0.000 0.453 455 T N 5.899 120.034 114.554 -0.699 0.000 3.031 455 T HA 0.151 4.501 4.350 0.000 0.000 0.305 455 T C -0.891 173.256 174.700 -0.922 0.000 0.985 455 T CA -0.869 60.826 62.100 -0.675 0.000 1.008 455 T CB 1.125 69.795 68.868 -0.331 0.000 1.005 455 T HN 0.678 nan 8.240 nan 0.000 0.444 456 E N 4.031 123.628 120.200 -1.005 0.000 2.568 456 E HA -0.032 4.318 4.350 0.000 0.000 0.262 456 E C -1.209 175.187 176.600 -0.339 0.000 0.961 456 E CA -1.017 54.983 56.400 -0.668 0.000 0.945 456 E CB 0.664 30.220 29.700 -0.241 0.000 0.924 456 E HN 0.298 nan 8.360 nan 0.000 0.467 457 P HA 0.124 nan 4.420 nan 0.000 0.255 457 P C -0.777 176.505 177.300 -0.029 0.000 1.248 457 P CA 0.249 63.307 63.100 -0.070 0.000 0.807 457 P CB 0.466 32.163 31.700 -0.005 0.000 1.150 458 D N 0.708 120.991 120.400 -0.195 0.000 2.185 458 D HA 0.354 4.994 4.640 0.000 0.000 0.247 458 D C 0.238 176.486 176.300 -0.086 0.000 1.027 458 D CA -0.380 53.566 54.000 -0.090 0.000 0.861 458 D CB 2.131 42.872 40.800 -0.098 0.000 1.202 458 D HN 0.041 nan 8.370 nan 0.000 0.453 459 I N 1.095 121.620 120.570 -0.075 0.000 2.359 459 I HA 0.231 4.402 4.170 0.000 0.000 0.294 459 I C 0.076 175.925 176.117 -0.447 0.000 0.987 459 I CA -0.193 60.918 61.300 -0.315 0.000 1.225 459 I CB 1.615 39.307 38.000 -0.514 0.000 1.366 459 I HN 0.039 nan 8.210 nan 0.000 0.466 460 T N 4.726 118.954 114.554 -0.543 0.000 2.881 460 T HA 0.366 4.716 4.350 0.000 0.000 0.291 460 T C -0.730 173.770 174.700 -0.332 0.000 0.990 460 T CA -0.570 61.373 62.100 -0.260 0.000 0.976 460 T CB 0.895 69.682 68.868 -0.135 0.000 0.970 460 T HN 0.359 nan 8.240 nan 0.000 0.438 461 W N 1.882 123.198 121.300 0.027 0.000 2.390 461 W HA 0.469 5.129 4.660 0.000 0.000 0.362 461 W C 0.532 177.063 176.519 0.020 0.000 1.206 461 W CA -0.750 56.612 57.345 0.029 0.000 1.355 461 W CB 0.811 30.295 29.460 0.041 0.000 1.278 461 W HN 0.431 nan 8.180 nan 0.000 0.653 462 N N 2.042 120.892 118.700 0.251 0.000 2.750 462 N HA 0.260 5.000 4.740 0.000 0.000 0.253 462 N C -1.662 173.944 175.510 0.159 0.000 1.408 462 N CA -0.066 53.072 53.050 0.146 0.000 0.780 462 N CB 0.017 38.556 38.487 0.087 0.000 1.191 462 N HN 0.256 nan 8.380 nan 0.000 0.511 463 L N 3.210 124.543 121.223 0.184 0.000 2.276 463 L HA 0.469 4.809 4.340 0.000 0.000 0.286 463 L C -1.002 175.996 176.870 0.213 0.000 1.024 463 L CA -1.498 53.459 54.840 0.195 0.000 0.826 463 L CB 1.747 43.953 42.059 0.245 0.000 1.211 463 L HN 0.152 nan 8.230 nan 0.000 0.422 464 P HA -0.080 nan 4.420 nan 0.000 0.216 464 P C 0.562 177.968 177.300 0.176 0.000 1.153 464 P CA 0.746 63.927 63.100 0.136 0.000 0.848 464 P CB 0.564 32.314 31.700 0.083 0.000 0.787 465 S N -2.312 113.464 115.700 0.127 0.000 2.599 465 S HA 0.383 4.853 4.470 0.000 0.000 0.294 465 S C -1.214 173.266 174.600 -0.199 0.000 1.094 465 S CA -0.870 57.362 58.200 0.053 0.000 0.931 465 S CB 0.451 63.659 63.200 0.013 0.000 1.093 465 S HN 0.036 nan 8.310 nan 0.000 0.488 466 Y N 2.318 122.260 120.300 -0.596 0.000 2.810 466 Y HA 0.290 4.840 4.550 0.000 0.000 0.332 466 Y C 0.345 175.904 175.900 -0.568 0.000 1.243 466 Y CA 1.207 58.635 58.100 -1.121 0.000 1.537 466 Y CB 0.385 38.425 38.460 -0.701 0.000 1.265 466 Y HN 0.533 nan 8.280 nan 0.000 0.572 467 T N 5.133 118.891 114.554 -1.326 0.000 2.893 467 T HA 0.185 4.535 4.350 0.000 0.000 0.293 467 T C 0.623 174.617 174.700 -1.177 0.000 1.027 467 T CA -0.327 61.184 62.100 -0.982 0.000 0.988 467 T CB 0.647 69.244 68.868 -0.452 0.000 1.043 467 T HN 0.872 nan 8.240 nan 0.000 0.461 468 N N 3.144 121.392 118.700 -0.754 0.000 2.364 468 N HA -0.035 4.705 4.740 0.000 0.000 0.183 468 N C 0.308 175.659 175.510 -0.265 0.000 1.022 468 N CA 0.640 53.453 53.050 -0.395 0.000 0.883 468 N CB 0.306 38.736 38.487 -0.096 0.000 0.965 468 N HN 0.729 nan 8.380 nan 0.000 0.438 469 E N -0.286 119.731 120.200 -0.305 0.000 2.388 469 E HA 0.271 4.621 4.350 0.000 0.000 0.282 469 E C -1.670 174.732 176.600 -0.329 0.000 1.026 469 E CA -0.956 55.289 56.400 -0.258 0.000 0.820 469 E CB 1.641 31.236 29.700 -0.175 0.000 1.226 469 E HN 0.020 nan 8.360 nan 0.000 0.432 470 V N -0.031 119.632 119.914 -0.419 0.000 3.074 470 V HA 0.947 5.067 4.120 0.000 0.000 0.314 470 V C -0.406 175.506 176.094 -0.302 0.000 1.117 470 V CA -0.085 61.895 62.300 -0.534 0.000 1.014 470 V CB 1.404 32.411 31.823 -1.360 0.000 1.057 470 V HN 0.876 nan 8.190 nan 0.000 0.438 471 S N 0.816 116.476 115.700 -0.067 0.000 2.671 471 S HA 0.930 5.400 4.470 0.000 0.000 0.277 471 S C -1.135 173.637 174.600 0.287 0.000 1.165 471 S CA -0.507 57.700 58.200 0.013 0.000 0.822 471 S CB 1.823 64.968 63.200 -0.091 0.000 1.150 471 S HN 2.177 nan 8.310 nan 0.000 0.479 472 Y N -1.614 118.727 120.300 0.070 0.000 2.609 472 Y HA 0.793 5.343 4.550 0.000 0.000 0.336 472 Y C -0.729 175.136 175.900 -0.059 0.000 1.129 472 Y CA -0.775 57.351 58.100 0.043 0.000 1.040 472 Y CB 1.038 39.542 38.460 0.074 0.000 1.310 472 Y HN 0.990 nan 8.280 nan 0.000 0.460 473 T N 0.423 115.065 114.554 0.147 0.000 2.932 473 T HA 0.834 5.185 4.350 0.000 0.000 0.289 473 T C -1.006 173.779 174.700 0.141 0.000 1.039 473 T CA -0.611 61.479 62.100 -0.017 0.000 1.024 473 T CB 1.855 70.648 68.868 -0.125 0.000 1.090 473 T HN 1.023 nan 8.240 nan 0.000 0.496 474 F N -1.558 118.323 119.950 -0.114 0.000 2.643 474 F HA 0.879 5.406 4.527 0.000 0.000 0.314 474 F C -0.603 175.092 175.800 -0.175 0.000 1.096 474 F CA -1.211 56.703 58.000 -0.143 0.000 0.953 474 F CB 1.752 40.646 39.000 -0.176 0.000 1.345 474 F HN 0.774 nan 8.300 nan 0.000 0.468 475 S N 1.594 117.287 115.700 -0.012 0.000 2.550 475 S HA 0.451 4.921 4.470 0.000 0.000 0.274 475 S C -2.110 172.514 174.600 0.038 0.000 1.110 475 S CA -0.261 57.894 58.200 -0.074 0.000 1.013 475 S CB 0.997 64.141 63.200 -0.094 0.000 1.152 475 S HN 0.954 nan 8.310 nan 0.000 0.450 476 Q N 4.620 124.476 119.800 0.094 0.000 2.374 476 Q HA 0.491 4.831 4.340 0.000 0.000 0.250 476 Q C -2.991 173.104 176.000 0.157 0.000 0.918 476 Q CA -1.491 54.391 55.803 0.132 0.000 0.778 476 Q CB 1.776 30.628 28.738 0.190 0.000 1.328 476 Q HN 0.370 nan 8.270 nan 0.000 0.445 477 P HA 0.017 nan 4.420 nan 0.000 0.263 477 P C -1.225 176.135 177.300 0.100 0.000 1.175 477 P CA 0.091 63.243 63.100 0.086 0.000 0.761 477 P CB 0.771 32.502 31.700 0.050 0.000 0.794 478 V N 3.361 123.329 119.914 0.089 0.000 2.969 478 V HA 0.494 4.614 4.120 0.000 0.000 0.304 478 V C -1.132 174.979 176.094 0.029 0.000 1.192 478 V CA -0.224 62.118 62.300 0.070 0.000 0.962 478 V CB 2.742 34.623 31.823 0.097 0.000 1.045 478 V HN 0.414 nan 8.190 nan 0.000 0.428 479 T N 7.422 121.984 114.554 0.013 0.000 2.812 479 T HA 0.656 5.006 4.350 0.000 0.000 0.282 479 T C -0.576 174.116 174.700 -0.014 0.000 0.990 479 T CA -0.133 61.963 62.100 -0.007 0.000 0.960 479 T CB 0.974 69.838 68.868 -0.006 0.000 0.948 479 T HN 0.548 nan 8.240 nan 0.000 0.438 480 I N 2.730 123.284 120.570 -0.028 0.000 2.389 480 I HA 0.493 4.663 4.170 0.000 0.000 0.288 480 I C 1.367 177.470 176.117 -0.023 0.000 0.999 480 I CA -0.590 60.693 61.300 -0.028 0.000 1.129 480 I CB 1.273 39.249 38.000 -0.040 0.000 1.288 480 I HN 0.866 nan 8.210 nan 0.000 0.444 481 G N 6.304 115.095 108.800 -0.014 0.000 2.952 481 G HA2 -0.382 3.578 3.960 0.000 0.000 0.346 481 G HA3 -0.382 3.578 3.960 0.000 0.000 0.346 481 G C 0.823 175.717 174.900 -0.011 0.000 1.191 481 G CA 0.959 46.054 45.100 -0.008 0.000 0.961 481 G HN 0.668 nan 8.290 nan 0.000 0.588 482 K N 0.922 121.312 120.400 -0.016 0.000 2.477 482 K HA 0.386 4.706 4.320 0.000 0.000 0.208 482 K C 0.927 177.500 176.600 -0.045 0.000 1.117 482 K CA 0.408 56.682 56.287 -0.021 0.000 1.039 482 K CB 1.278 33.772 32.500 -0.010 0.000 0.937 482 K HN 0.597 nan 8.250 nan 0.000 0.570 483 G N 0.632 109.396 108.800 -0.060 0.000 2.338 483 G HA2 0.328 4.288 3.960 0.000 0.000 0.298 483 G HA3 0.328 4.288 3.960 0.000 0.000 0.298 483 G C -0.619 174.237 174.900 -0.073 0.000 1.140 483 G CA 0.020 45.061 45.100 -0.098 0.000 0.860 483 G HN -0.104 nan 8.290 nan 0.000 0.470 484 T N 0.843 115.351 114.554 -0.078 0.000 2.848 484 T HA 0.689 5.039 4.350 0.000 0.000 0.285 484 T C -0.217 174.457 174.700 -0.043 0.000 0.995 484 T CA -0.328 61.745 62.100 -0.045 0.000 0.970 484 T CB 1.952 70.799 68.868 -0.035 0.000 0.976 484 T HN 0.664 nan 8.240 nan 0.000 0.441 485 T N 1.072 115.620 114.554 -0.010 0.000 2.754 485 T HA 0.599 4.949 4.350 0.000 0.000 0.296 485 T C -1.143 173.592 174.700 0.058 0.000 1.205 485 T CA -0.441 61.666 62.100 0.012 0.000 1.009 485 T CB 1.673 70.548 68.868 0.012 0.000 1.368 485 T HN 0.475 nan 8.240 nan 0.000 0.509 486 T N 2.692 117.290 114.554 0.074 0.000 2.749 486 T HA 0.493 4.843 4.350 0.000 0.000 0.287 486 T C -1.045 173.776 174.700 0.202 0.000 0.970 486 T CA -0.296 61.869 62.100 0.108 0.000 0.980 486 T CB 0.220 69.117 68.868 0.049 0.000 0.924 486 T HN 0.406 nan 8.240 nan 0.000 0.456 487 F N 5.087 125.083 119.950 0.076 0.000 2.413 487 F HA 0.541 5.069 4.527 0.000 0.000 0.359 487 F C 0.328 176.212 175.800 0.140 0.000 1.122 487 F CA -1.264 56.826 58.000 0.150 0.000 1.160 487 F CB -0.272 38.852 39.000 0.206 0.000 1.146 487 F HN 0.552 nan 8.300 nan 0.000 0.514 488 S N 3.942 119.539 115.700 -0.171 0.000 2.627 488 S HA 1.030 5.500 4.470 0.000 0.000 0.283 488 S C -0.518 173.305 174.600 -1.295 0.000 1.127 488 S CA -0.333 57.406 58.200 -0.769 0.000 0.863 488 S CB 1.736 64.707 63.200 -0.382 0.000 1.121 488 S HN 1.205 nan 8.310 nan 0.000 0.479 489 G N -0.214 107.484 108.800 -1.837 0.000 2.506 489 G HA2 0.566 4.526 3.960 0.000 0.000 0.292 489 G HA3 0.566 4.526 3.960 0.000 0.000 0.292 489 G C -1.703 172.669 174.900 -0.879 0.000 1.425 489 G CA -0.623 43.735 45.100 -1.237 0.000 0.788 489 G HN 0.833 nan 8.290 nan 0.000 0.490 490 T N 0.271 114.459 114.554 -0.611 0.000 2.840 490 T HA 0.566 4.916 4.350 0.000 0.000 0.287 490 T C -0.648 173.628 174.700 -0.708 0.000 0.991 490 T CA -0.362 61.420 62.100 -0.530 0.000 0.964 490 T CB 1.695 70.342 68.868 -0.368 0.000 0.954 490 T HN 0.554 nan 8.240 nan 0.000 0.438 491 V N 3.936 123.317 119.914 -0.889 0.000 2.384 491 V HA 0.450 4.570 4.120 0.000 0.000 0.287 491 V C 0.317 176.031 176.094 -0.634 0.000 1.020 491 V CA -0.653 60.991 62.300 -1.094 0.000 0.850 491 V CB 1.596 32.491 31.823 -1.548 0.000 0.987 491 V HN 0.959 nan 8.190 nan 0.000 0.436 492 T N 4.448 118.752 114.554 -0.417 0.000 2.837 492 T HA 0.409 4.759 4.350 0.000 0.000 0.285 492 T C -0.303 174.309 174.700 -0.146 0.000 0.984 492 T CA -0.325 61.634 62.100 -0.235 0.000 1.049 492 T CB 1.417 70.185 68.868 -0.166 0.000 0.947 492 T HN 0.602 nan 8.240 nan 0.000 0.472 493 Q N 3.780 123.500 119.800 -0.132 0.000 2.456 493 Q HA 0.366 4.706 4.340 0.000 0.000 0.252 493 Q C -2.710 173.217 176.000 -0.122 0.000 1.042 493 Q CA -2.440 53.308 55.803 -0.092 0.000 0.766 493 Q CB 0.857 29.533 28.738 -0.103 0.000 1.196 493 Q HN 0.255 nan 8.270 nan 0.000 0.504 494 P HA 0.146 nan 4.420 nan 0.000 0.271 494 P C -0.912 176.368 177.300 -0.033 0.000 1.218 494 P CA 0.021 63.089 63.100 -0.054 0.000 0.780 494 P CB 0.734 32.428 31.700 -0.010 0.000 0.901 495 L N 2.658 123.864 121.223 -0.028 0.000 2.365 495 L HA 0.406 4.747 4.340 0.000 0.000 0.273 495 L C 1.360 178.354 176.870 0.207 0.000 1.000 495 L CA -0.638 54.236 54.840 0.057 0.000 0.819 495 L CB 2.049 44.108 42.059 -0.001 0.000 1.284 495 L HN 0.307 nan 8.230 nan 0.000 0.418 496 K N 1.959 122.495 120.400 0.226 0.000 2.099 496 K HA 0.490 4.810 4.320 0.000 0.000 0.203 496 K C 0.368 177.130 176.600 0.270 0.000 1.047 496 K CA 0.733 57.143 56.287 0.205 0.000 0.963 496 K CB 0.457 33.025 32.500 0.113 0.000 0.759 496 K HN 0.694 nan 8.250 nan 0.000 0.451 497 A N 0.000 123.044 122.820 0.373 0.000 2.254 497 A HA 0.000 4.320 4.320 0.000 0.000 0.244 497 A CA 0.000 nan 52.037 nan 0.000 0.836 497 A CB 0.000 19.000 19.000 0.000 0.000 0.831 497 A HN 0.000 nan 8.150 nan 0.000 0.486