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 3gyr_1_C DATA FIRST_RESID 37 DATA SEQUENCE APGELTPFAA PLTVPPVLRP ASDEVTRETE IALRPTWVRL HPQLPPTLMW DATA SEQUENCE GYDGQVPGPT IEVRRGQRVR IAWTNRIPKG SEYPVTSVEV PLGPPGTPAP DATA SEQUENCE NTEPGRGGVE PNKDVAALPA WSVTHLHGAQ TGGGNDGWAD NAVGFGDAQL DATA SEQUENCE SEYPNDHQAT QWWYHDHAMN ITRWNVMAGL YGTYLVRDDE EDALGLPSGD DATA SEQUENCE REIPLLIADR NLDTDEDGRL NGRLLHKTVI VQQSNPETGK PVSIPFFGPY DATA SEQUENCE TTVNGRIWPY ADVDDGWYRL RLVNASNARI YNLVLIDEDD RPVPGVVHQI DATA SEQUENCE GSDGGLLPRP VPVDFDDTLP VLSAAPAERF DLLVDFRALG GRRLRLVDKG DATA SEQUENCE PGAPAGTPDP LGGVRYPEVM EFRVRETCEE DSFALPEVLS GSFRRMSHDI DATA SEQUENCE PHGHRLIVLT PPGTKGSGGH PEIWEMAEVE XXXXXQVPAE GVIQVTGADG DATA SEQUENCE RTKTYRRTAR TFNDGLGFTI GEGTHEQWTF LNLSPILHPM HIHLADFQVL DATA SEQUENCE GRDAYDASGF DLALGGTRTP VRLDPDTPVP LAPNELGHKD VFQVPGPQGL DATA SEQUENCE RVMGKFDGAY GRFMYHCHLL EHEDMGMMRP FVVMPPEALK FD 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 37 A HA 0.000 nan 4.320 nan 0.000 0.244 37 A C 0.000 177.607 177.584 0.038 0.000 1.274 37 A CA 0.000 52.062 52.037 0.041 0.000 0.836 37 A CB 0.000 19.035 19.000 0.059 0.000 0.831 38 P HA 0.368 nan 4.420 nan 0.000 0.260 38 P C 1.079 178.398 177.300 0.032 0.000 1.185 38 P CA 2.240 65.355 63.100 0.026 0.000 0.763 38 P CB 0.492 32.205 31.700 0.022 0.000 0.776 39 G N 1.877 110.692 108.800 0.025 0.000 2.157 39 G HA2 -0.211 3.750 3.960 0.001 0.000 0.239 39 G HA3 -0.211 3.750 3.960 0.001 0.000 0.239 39 G C -0.005 174.913 174.900 0.030 0.000 0.982 39 G CA -0.410 44.705 45.100 0.024 0.000 0.650 39 G HN 0.544 nan 8.290 nan 0.000 0.527 40 E N -0.252 119.967 120.200 0.032 0.000 2.242 40 E HA 0.593 4.944 4.350 0.001 0.000 0.275 40 E C 0.584 177.160 176.600 -0.039 0.000 1.002 40 E CA -0.832 55.585 56.400 0.028 0.000 0.841 40 E CB 1.236 30.974 29.700 0.063 0.000 1.109 40 E HN 0.301 nan 8.360 nan 0.000 0.394 41 L N 1.672 122.837 121.223 -0.096 0.000 2.397 41 L HA 0.161 4.502 4.340 0.001 0.000 0.271 41 L C 0.434 177.275 176.870 -0.049 0.000 1.148 41 L CA -0.186 54.516 54.840 -0.230 0.000 0.825 41 L CB 0.408 42.092 42.059 -0.627 0.000 1.117 41 L HN 0.433 nan 8.230 nan 0.000 0.456 42 T N 4.333 118.898 114.554 0.019 0.000 2.761 42 T HA 0.224 4.575 4.350 0.001 0.000 0.296 42 T C -2.184 172.602 174.700 0.143 0.000 0.934 42 T CA -0.898 61.243 62.100 0.068 0.000 1.091 42 T CB 0.621 69.548 68.868 0.099 0.000 0.896 42 T HN 0.388 nan 8.240 nan 0.000 0.515 43 P HA 0.231 nan 4.420 nan 0.000 0.274 43 P C -0.108 176.959 177.300 -0.388 0.000 1.231 43 P CA -0.507 62.321 63.100 -0.454 0.000 0.790 43 P CB 0.097 30.968 31.700 -1.383 0.000 0.951 44 F N -1.574 118.538 119.950 0.270 0.000 3.071 44 F HA -0.228 4.299 4.527 0.001 0.000 0.295 44 F C 1.165 177.130 175.800 0.276 0.000 0.919 44 F CA 0.161 58.310 58.000 0.248 0.000 1.050 44 F CB -2.424 36.662 39.000 0.145 0.000 1.040 44 F HN 0.381 nan 8.300 nan 0.000 0.692 45 A N -0.581 122.410 122.820 0.285 0.000 2.169 45 A HA 0.696 5.016 4.320 0.001 0.000 0.210 45 A C 1.137 178.804 177.584 0.138 0.000 1.168 45 A CA 0.857 52.985 52.037 0.152 0.000 0.813 45 A CB 0.263 19.252 19.000 -0.018 0.000 0.861 45 A HN 0.942 nan 8.150 nan 0.000 0.481 46 A N 0.432 123.289 122.820 0.062 0.000 2.435 46 A HA 0.713 5.034 4.320 0.001 0.000 0.304 46 A C -3.075 174.232 177.584 -0.462 0.000 1.064 46 A CA -2.002 49.976 52.037 -0.098 0.000 0.727 46 A CB 1.111 20.012 19.000 -0.166 0.000 1.284 46 A HN 0.059 nan 8.150 nan 0.000 0.415 47 P HA 0.211 nan 4.420 nan 0.000 0.269 47 P C -0.184 176.845 177.300 -0.451 0.000 1.209 47 P CA -0.188 62.343 63.100 -0.948 0.000 0.776 47 P CB 0.550 31.936 31.700 -0.523 0.000 0.876 48 L N 3.194 124.186 121.223 -0.386 0.000 2.490 48 L HA 0.174 4.515 4.340 0.001 0.000 0.274 48 L C 0.429 177.222 176.870 -0.128 0.000 1.201 48 L CA 0.961 55.682 54.840 -0.198 0.000 0.869 48 L CB -0.148 41.809 42.059 -0.170 0.000 1.123 48 L HN 0.561 nan 8.230 nan 0.000 0.484 49 T N 2.785 117.293 114.554 -0.076 0.000 2.945 49 T HA 0.751 5.102 4.350 0.001 0.000 0.286 49 T C -0.169 174.524 174.700 -0.011 0.000 1.025 49 T CA -0.297 61.780 62.100 -0.039 0.000 1.039 49 T CB 1.594 70.445 68.868 -0.029 0.000 1.068 49 T HN 0.792 nan 8.240 nan 0.000 0.497 50 V N -1.450 118.469 119.914 0.007 0.000 2.919 50 V HA 0.819 4.940 4.120 0.001 0.000 0.316 50 V C -2.888 173.222 176.094 0.026 0.000 1.077 50 V CA -2.620 59.694 62.300 0.024 0.000 0.977 50 V CB 0.640 32.486 31.823 0.039 0.000 1.039 50 V HN 0.801 nan 8.190 nan 0.000 0.441 51 P HA 0.399 nan 4.420 nan 0.000 0.274 51 P C -2.686 174.641 177.300 0.045 0.000 1.246 51 P CA -1.090 62.034 63.100 0.041 0.000 0.795 51 P CB -0.299 31.433 31.700 0.053 0.000 1.006 52 P HA 0.046 nan 4.420 nan 0.000 0.272 52 P C -0.857 176.468 177.300 0.042 0.000 1.223 52 P CA 0.110 63.234 63.100 0.040 0.000 0.784 52 P CB 0.381 32.105 31.700 0.040 0.000 0.923 53 V N 2.934 122.864 119.914 0.026 0.000 2.439 53 V HA 0.244 4.365 4.120 0.001 0.000 0.282 53 V C 0.338 176.432 176.094 -0.000 0.000 1.039 53 V CA -0.484 61.825 62.300 0.014 0.000 0.913 53 V CB 0.987 32.813 31.823 0.004 0.000 0.983 53 V HN 0.397 nan 8.190 nan 0.000 0.460 54 L N 6.355 127.569 121.223 -0.015 0.000 2.333 54 L HA 0.604 4.945 4.340 0.001 0.000 0.280 54 L C -0.131 176.693 176.870 -0.076 0.000 1.004 54 L CA -0.241 54.575 54.840 -0.039 0.000 0.820 54 L CB 1.487 43.523 42.059 -0.040 0.000 1.247 54 L HN 0.568 nan 8.230 nan 0.000 0.416 55 R N 6.375 126.834 120.500 -0.068 0.000 2.312 55 R HA 0.404 4.745 4.340 0.001 0.000 0.310 55 R C -1.787 174.471 176.300 -0.071 0.000 1.064 55 R CA -1.235 54.818 56.100 -0.079 0.000 0.983 55 R CB 0.972 31.237 30.300 -0.059 0.000 1.139 55 R HN 0.560 nan 8.270 nan 0.000 0.536 56 P HA 0.063 nan 4.420 nan 0.000 0.245 56 P C 0.147 177.421 177.300 -0.044 0.000 1.203 56 P CA 0.158 63.217 63.100 -0.068 0.000 0.792 56 P CB 0.461 32.111 31.700 -0.084 0.000 0.997 57 A N 0.521 123.319 122.820 -0.037 0.000 2.520 57 A HA 0.380 4.701 4.320 0.001 0.000 0.235 57 A C 0.413 177.987 177.584 -0.017 0.000 1.065 57 A CA 0.550 52.578 52.037 -0.015 0.000 0.764 57 A CB -0.295 18.697 19.000 -0.012 0.000 1.002 57 A HN 0.265 nan 8.150 nan 0.000 0.502 58 S N 0.074 115.768 115.700 -0.009 0.000 2.537 58 S HA 0.406 4.877 4.470 0.001 0.000 0.271 58 S C -0.303 174.294 174.600 -0.006 0.000 1.148 58 S CA -0.578 57.615 58.200 -0.011 0.000 0.868 58 S CB 1.320 64.510 63.200 -0.017 0.000 1.115 58 S HN 0.568 nan 8.310 nan 0.000 0.461 59 D N 1.857 122.254 120.400 -0.006 0.000 2.378 59 D HA 0.084 4.725 4.640 0.001 0.000 0.222 59 D C 0.102 176.400 176.300 -0.003 0.000 0.980 59 D CA 0.915 54.913 54.000 -0.003 0.000 0.907 59 D CB 0.226 41.024 40.800 -0.004 0.000 0.899 59 D HN 0.604 nan 8.370 nan 0.000 0.527 60 E N 0.515 120.711 120.200 -0.007 0.000 2.376 60 E HA 0.110 4.461 4.350 0.001 0.000 0.236 60 E C 0.641 177.235 176.600 -0.010 0.000 0.962 60 E CA -0.238 56.157 56.400 -0.008 0.000 0.768 60 E CB 1.630 31.323 29.700 -0.011 0.000 1.236 60 E HN -0.188 nan 8.360 nan 0.000 0.431 61 V N 3.149 123.059 119.914 -0.006 0.000 2.490 61 V HA -0.213 3.908 4.120 0.001 0.000 0.250 61 V C 2.045 178.130 176.094 -0.015 0.000 1.061 61 V CA 2.687 64.983 62.300 -0.006 0.000 1.064 61 V CB -0.181 31.644 31.823 0.003 0.000 0.670 61 V HN 0.755 nan 8.190 nan 0.000 0.461 62 T N -2.061 112.484 114.554 -0.016 0.000 3.160 62 T HA -0.043 4.308 4.350 0.001 0.000 0.257 62 T C 1.141 175.825 174.700 -0.027 0.000 1.147 62 T CA 0.160 62.248 62.100 -0.021 0.000 1.064 62 T CB -0.407 68.452 68.868 -0.016 0.000 0.949 62 T HN 0.448 nan 8.240 nan 0.000 0.526 63 R N 1.809 122.293 120.500 -0.027 0.000 2.230 63 R HA 0.266 4.607 4.340 0.001 0.000 0.337 63 R C -0.559 175.714 176.300 -0.045 0.000 1.063 63 R CA -0.320 55.760 56.100 -0.033 0.000 0.935 63 R CB 0.345 30.629 30.300 -0.027 0.000 1.121 63 R HN 0.483 nan 8.270 nan 0.000 0.486 64 E N 1.280 121.446 120.200 -0.057 0.000 2.392 64 E HA 0.042 4.393 4.350 0.001 0.000 0.259 64 E C -0.429 176.116 176.600 -0.092 0.000 1.108 64 E CA 0.227 56.578 56.400 -0.082 0.000 0.916 64 E CB 0.897 30.540 29.700 -0.094 0.000 0.989 64 E HN 0.374 nan 8.360 nan 0.000 0.432 65 T N 2.012 116.491 114.554 -0.126 0.000 2.743 65 T HA 0.079 4.430 4.350 0.001 0.000 0.293 65 T C -0.139 174.453 174.700 -0.181 0.000 0.945 65 T CA -0.396 61.620 62.100 -0.140 0.000 1.030 65 T CB 0.555 69.332 68.868 -0.153 0.000 0.912 65 T HN 0.388 nan 8.240 nan 0.000 0.483 66 E N 4.015 124.138 120.200 -0.128 0.000 2.289 66 E HA 0.267 4.618 4.350 0.001 0.000 0.278 66 E C -0.819 175.714 176.600 -0.112 0.000 1.032 66 E CA -0.412 55.916 56.400 -0.119 0.000 0.854 66 E CB 0.478 30.139 29.700 -0.065 0.000 1.046 66 E HN 0.561 nan 8.360 nan 0.000 0.409 67 I N 4.149 124.646 120.570 -0.122 0.000 2.405 67 I HA 0.308 4.479 4.170 0.001 0.000 0.280 67 I C -0.300 175.911 176.117 0.156 0.000 1.027 67 I CA -0.717 60.586 61.300 0.005 0.000 1.161 67 I CB 1.492 39.442 38.000 -0.082 0.000 1.300 67 I HN 0.518 nan 8.210 nan 0.000 0.463 68 A N 7.445 130.341 122.820 0.126 0.000 2.302 68 A HA 0.606 4.927 4.320 0.001 0.000 0.295 68 A C -0.394 177.266 177.584 0.126 0.000 1.235 68 A CA -0.466 51.634 52.037 0.106 0.000 0.876 68 A CB 0.188 19.221 19.000 0.055 0.000 1.133 68 A HN 0.577 nan 8.150 nan 0.000 0.533 69 L N 3.300 124.578 121.223 0.090 0.000 2.410 69 L HA 0.341 4.682 4.340 0.001 0.000 0.273 69 L C 0.822 177.645 176.870 -0.077 0.000 1.144 69 L CA 1.227 56.044 54.840 -0.039 0.000 0.863 69 L CB -0.003 41.974 42.059 -0.137 0.000 1.140 69 L HN 0.732 nan 8.230 nan 0.000 0.463 70 R N 3.392 123.846 120.500 -0.077 0.000 2.698 70 R HA 0.503 4.844 4.340 0.001 0.000 0.275 70 R C -2.622 173.643 176.300 -0.058 0.000 1.001 70 R CA -2.005 54.056 56.100 -0.065 0.000 0.896 70 R CB 1.559 31.868 30.300 0.015 0.000 1.218 70 R HN 0.277 nan 8.270 nan 0.000 0.462 71 P HA 0.014 nan 4.420 nan 0.000 0.267 71 P C -0.530 176.787 177.300 0.028 0.000 1.200 71 P CA 0.087 63.232 63.100 0.074 0.000 0.772 71 P CB 0.773 32.519 31.700 0.076 0.000 0.855 72 T N 1.326 115.836 114.554 -0.075 0.000 2.942 72 T HA 0.497 4.848 4.350 0.001 0.000 0.327 72 T C -2.137 172.407 174.700 -0.260 0.000 1.360 72 T CA -0.563 61.505 62.100 -0.053 0.000 1.055 72 T CB 0.354 69.233 68.868 0.018 0.000 1.261 72 T HN 0.154 nan 8.240 nan 0.000 0.485 73 W N 3.118 124.438 121.300 0.034 0.000 2.376 73 W HA 0.672 5.333 4.660 0.001 0.000 0.312 73 W C -0.643 175.880 176.519 0.006 0.000 1.060 73 W CA -0.573 56.780 57.345 0.014 0.000 1.221 73 W CB 1.547 31.012 29.460 0.009 0.000 1.281 73 W HN 0.402 nan 8.180 nan 0.000 0.456 74 V N 4.364 124.367 119.914 0.149 0.000 2.444 74 V HA 0.343 4.464 4.120 0.001 0.000 0.294 74 V C -0.112 176.030 176.094 0.080 0.000 1.022 74 V CA -1.280 61.068 62.300 0.079 0.000 0.850 74 V CB 1.583 33.414 31.823 0.013 0.000 0.992 74 V HN 0.280 nan 8.190 nan 0.000 0.426 75 R N 4.063 124.600 120.500 0.061 0.000 2.429 75 R HA 0.324 4.665 4.340 0.001 0.000 0.302 75 R C 0.857 177.163 176.300 0.009 0.000 1.268 75 R CA 0.127 56.250 56.100 0.039 0.000 1.090 75 R CB -0.345 29.967 30.300 0.021 0.000 1.102 75 R HN 0.779 nan 8.270 nan 0.000 0.522 76 L N 1.505 122.731 121.223 0.005 0.000 2.131 76 L HA -0.068 4.273 4.340 0.001 0.000 0.210 76 L C 0.835 177.712 176.870 0.011 0.000 1.092 76 L CA 1.111 55.939 54.840 -0.019 0.000 0.759 76 L CB -0.187 41.833 42.059 -0.065 0.000 0.903 76 L HN 0.635 nan 8.230 nan 0.000 0.435 77 H N -2.307 116.706 119.070 -0.095 0.000 3.094 77 H HA 0.144 4.701 4.556 0.002 0.000 0.346 77 H C -2.293 173.003 175.328 -0.053 0.000 1.238 77 H CA -1.151 54.844 56.048 -0.088 0.000 1.209 77 H CB 2.302 31.972 29.762 -0.154 0.000 1.911 77 H HN -0.313 nan 8.280 nan 0.000 0.540 78 P HA -0.070 nan 4.420 nan 0.000 0.219 78 P C 0.717 178.067 177.300 0.083 0.000 1.146 78 P CA 1.253 64.296 63.100 -0.096 0.000 0.808 78 P CB 0.302 31.902 31.700 -0.166 0.000 0.779 79 Q N -1.286 118.727 119.800 0.355 0.000 2.365 79 Q HA 0.147 4.488 4.340 0.001 0.000 0.203 79 Q C 0.392 176.442 176.000 0.084 0.000 0.929 79 Q CA 0.067 55.995 55.803 0.207 0.000 0.948 79 Q CB -0.094 28.748 28.738 0.173 0.000 1.043 79 Q HN 0.307 nan 8.270 nan 0.000 0.505 80 L N 1.023 122.294 121.223 0.080 0.000 2.313 80 L HA 0.514 4.855 4.340 0.001 0.000 0.268 80 L C -2.153 174.727 176.870 0.017 0.000 1.010 80 L CA -2.443 52.400 54.840 0.005 0.000 0.814 80 L CB 1.172 43.213 42.059 -0.030 0.000 1.304 80 L HN -0.071 nan 8.230 nan 0.000 0.441 81 P HA 0.309 nan 4.420 nan 0.000 0.276 81 P C -2.725 174.614 177.300 0.065 0.000 1.261 81 P CA -1.764 61.350 63.100 0.025 0.000 0.800 81 P CB -0.226 31.487 31.700 0.020 0.000 1.066 82 P HA 0.167 nan 4.420 nan 0.000 0.269 82 P C -0.449 177.060 177.300 0.348 0.000 1.215 82 P CA 0.419 63.645 63.100 0.210 0.000 0.780 82 P CB 0.054 31.889 31.700 0.225 0.000 0.898 83 T N 2.865 117.571 114.554 0.253 0.000 2.771 83 T HA 0.322 4.673 4.350 0.001 0.000 0.281 83 T C -0.190 174.413 174.700 -0.161 0.000 0.982 83 T CA -0.483 61.670 62.100 0.087 0.000 0.978 83 T CB 0.446 69.302 68.868 -0.019 0.000 0.930 83 T HN 0.176 nan 8.240 nan 0.000 0.447 84 L N 5.074 125.955 121.223 -0.569 0.000 2.462 84 L HA 0.466 4.806 4.340 0.001 0.000 0.272 84 L C -0.498 176.008 176.870 -0.605 0.000 1.166 84 L CA 0.831 55.004 54.840 -1.113 0.000 0.880 84 L CB -0.494 40.884 42.059 -1.134 0.000 1.142 84 L HN 0.669 nan 8.230 nan 0.000 0.473 85 M N 3.621 122.919 119.600 -0.503 0.000 2.664 85 M HA 0.372 4.852 4.480 0.001 0.000 0.279 85 M C -1.564 174.679 176.300 -0.095 0.000 1.275 85 M CA -0.634 54.471 55.300 -0.324 0.000 0.829 85 M CB 2.201 34.696 32.600 -0.175 0.000 1.727 85 M HN 0.392 nan 8.290 nan 0.000 0.459 86 W N 0.707 121.875 121.300 -0.221 0.000 2.529 86 W HA 0.733 5.393 4.660 0.001 0.000 0.321 86 W C -0.062 176.357 176.519 -0.167 0.000 1.047 86 W CA -1.097 56.138 57.345 -0.184 0.000 1.216 86 W CB 1.357 30.710 29.460 -0.177 0.000 1.357 86 W HN 0.677 nan 8.180 nan 0.000 0.489 87 G N 1.765 110.601 108.800 0.061 0.000 2.620 87 G HA2 0.548 4.509 3.960 0.001 0.000 0.301 87 G HA3 0.548 4.509 3.960 0.001 0.000 0.301 87 G C -2.114 172.792 174.900 0.011 0.000 1.347 87 G CA -0.797 44.307 45.100 0.007 0.000 0.971 87 G HN 0.182 nan 8.290 nan 0.000 0.488 88 Y N 1.115 121.515 120.300 0.167 0.000 2.544 88 Y HA 0.150 4.701 4.550 0.001 0.000 0.330 88 Y C 0.875 176.870 175.900 0.159 0.000 1.136 88 Y CA 0.582 58.816 58.100 0.225 0.000 1.417 88 Y CB 0.671 39.371 38.460 0.399 0.000 1.229 88 Y HN 0.588 nan 8.280 nan 0.000 0.532 89 D N 2.511 123.066 120.400 0.259 0.000 2.751 89 D HA -0.190 4.451 4.640 0.001 0.000 0.233 89 D C 1.247 177.619 176.300 0.119 0.000 1.149 89 D CA 1.618 55.711 54.000 0.155 0.000 0.682 89 D CB -1.209 39.675 40.800 0.140 0.000 1.068 89 D HN 1.085 nan 8.370 nan 0.000 0.429 90 G N -0.718 108.144 108.800 0.103 0.000 2.233 90 G HA2 -0.345 3.616 3.960 0.001 0.000 0.270 90 G HA3 -0.345 3.616 3.960 0.001 0.000 0.270 90 G C 0.070 175.016 174.900 0.077 0.000 1.011 90 G CA 0.655 45.802 45.100 0.078 0.000 0.762 90 G HN 0.426 nan 8.290 nan 0.000 0.511 91 Q N -0.748 119.110 119.800 0.096 0.000 2.342 91 Q HA 0.670 5.011 4.340 0.001 0.000 0.267 91 Q C -0.469 175.553 176.000 0.037 0.000 1.038 91 Q CA -0.745 55.101 55.803 0.072 0.000 0.832 91 Q CB 2.748 31.540 28.738 0.090 0.000 1.323 91 Q HN 0.265 nan 8.270 nan 0.000 0.448 92 V N 3.569 123.474 119.914 -0.015 0.000 2.443 92 V HA 0.342 4.463 4.120 0.001 0.000 0.293 92 V C -2.183 173.832 176.094 -0.130 0.000 1.021 92 V CA -1.718 60.516 62.300 -0.111 0.000 0.848 92 V CB 1.748 33.522 31.823 -0.083 0.000 0.998 92 V HN 0.605 nan 8.190 nan 0.000 0.424 93 P HA 0.221 nan 4.420 nan 0.000 0.271 93 P C 0.551 177.773 177.300 -0.131 0.000 1.244 93 P CA 0.098 62.917 63.100 -0.467 0.000 0.793 93 P CB 0.475 31.940 31.700 -0.391 0.000 0.984 94 G N 0.848 109.640 108.800 -0.014 0.000 2.732 94 G HA2 0.219 4.180 3.960 0.001 0.000 0.244 94 G HA3 0.219 4.180 3.960 0.001 0.000 0.244 94 G C -2.404 172.633 174.900 0.228 0.000 1.226 94 G CA -0.753 44.504 45.100 0.261 0.000 0.860 94 G HN 0.346 nan 8.290 nan 0.000 0.583 95 P HA 0.107 nan 4.420 nan 0.000 0.266 95 P C 0.144 177.588 177.300 0.240 0.000 1.195 95 P CA 0.165 63.382 63.100 0.195 0.000 0.768 95 P CB 0.380 32.165 31.700 0.143 0.000 0.838 96 T N 4.330 118.974 114.554 0.150 0.000 2.738 96 T HA 0.233 4.584 4.350 0.001 0.000 0.293 96 T C 0.622 175.366 174.700 0.073 0.000 0.913 96 T CA 0.061 62.246 62.100 0.141 0.000 1.103 96 T CB -0.672 68.247 68.868 0.085 0.000 0.880 96 T HN 0.192 nan 8.240 nan 0.000 0.526 97 I N 3.488 124.098 120.570 0.067 0.000 2.395 97 I HA 0.304 4.474 4.170 0.001 0.000 0.289 97 I C 0.687 176.624 176.117 -0.299 0.000 1.023 97 I CA -0.289 60.915 61.300 -0.159 0.000 1.350 97 I CB 0.894 38.730 38.000 -0.274 0.000 1.409 97 I HN 0.541 nan 8.210 nan 0.000 0.507 98 E N 6.409 126.448 120.200 -0.269 0.000 2.234 98 E HA 0.643 4.994 4.350 0.001 0.000 0.266 98 E C -1.487 174.969 176.600 -0.240 0.000 0.877 98 E CA -0.660 55.598 56.400 -0.237 0.000 0.758 98 E CB 2.262 31.890 29.700 -0.120 0.000 1.170 98 E HN 0.470 nan 8.360 nan 0.000 0.415 99 V N 0.812 120.584 119.914 -0.237 0.000 3.114 99 V HA 0.666 4.787 4.120 0.001 0.000 0.308 99 V C -0.816 175.227 176.094 -0.086 0.000 1.168 99 V CA -1.182 61.032 62.300 -0.143 0.000 1.015 99 V CB 1.869 33.620 31.823 -0.121 0.000 1.050 99 V HN 0.636 nan 8.190 nan 0.000 0.433 100 R N 1.016 121.491 120.500 -0.042 0.000 2.486 100 R HA 0.545 4.886 4.340 0.001 0.000 0.286 100 R C 0.071 176.374 176.300 0.005 0.000 0.999 100 R CA -0.875 55.210 56.100 -0.024 0.000 0.993 100 R CB 1.472 31.762 30.300 -0.016 0.000 1.084 100 R HN 0.892 nan 8.270 nan 0.000 0.487 101 R N 0.564 121.067 120.500 0.005 0.000 2.538 101 R HA -0.134 4.207 4.340 0.001 0.000 0.273 101 R C 0.726 177.054 176.300 0.046 0.000 0.967 101 R CA 1.868 57.988 56.100 0.034 0.000 1.101 101 R CB -0.075 30.236 30.300 0.019 0.000 0.908 101 R HN 0.928 nan 8.270 nan 0.000 0.411 102 G N 2.491 111.336 108.800 0.075 0.000 2.268 102 G HA2 -0.322 3.639 3.960 0.001 0.000 0.240 102 G HA3 -0.322 3.639 3.960 0.001 0.000 0.240 102 G C -0.190 174.751 174.900 0.069 0.000 1.010 102 G CA 0.293 45.433 45.100 0.067 0.000 0.618 102 G HN 0.645 nan 8.290 nan 0.000 0.516 103 Q N 1.106 120.946 119.800 0.067 0.000 2.348 103 Q HA 0.337 4.678 4.340 0.001 0.000 0.251 103 Q C 0.646 176.703 176.000 0.095 0.000 1.113 103 Q CA -0.299 55.540 55.803 0.061 0.000 0.902 103 Q CB 0.618 29.379 28.738 0.038 0.000 1.333 103 Q HN 0.453 nan 8.270 nan 0.000 0.457 104 R N 2.505 123.056 120.500 0.085 0.000 2.421 104 R HA 0.176 4.517 4.340 0.001 0.000 0.305 104 R C -0.472 175.882 176.300 0.091 0.000 1.039 104 R CA -0.112 56.048 56.100 0.100 0.000 1.003 104 R CB 0.326 30.668 30.300 0.070 0.000 0.959 104 R HN 0.471 nan 8.270 nan 0.000 0.427 105 V N 1.858 121.852 119.914 0.134 0.000 2.914 105 V HA 0.658 4.779 4.120 0.001 0.000 0.314 105 V C -0.847 175.287 176.094 0.067 0.000 1.084 105 V CA -1.113 61.248 62.300 0.102 0.000 0.963 105 V CB 2.207 34.105 31.823 0.125 0.000 1.025 105 V HN 0.793 nan 8.190 nan 0.000 0.432 106 R N 3.504 123.999 120.500 -0.007 0.000 2.439 106 R HA 0.733 5.074 4.340 0.001 0.000 0.310 106 R C -1.310 174.910 176.300 -0.135 0.000 0.955 106 R CA -0.513 55.537 56.100 -0.082 0.000 0.853 106 R CB 2.096 32.350 30.300 -0.076 0.000 1.171 106 R HN 0.785 nan 8.270 nan 0.000 0.449 107 I N 1.728 122.163 120.570 -0.226 0.000 2.433 107 I HA 0.371 4.542 4.170 0.001 0.000 0.292 107 I C -0.152 175.684 176.117 -0.468 0.000 1.001 107 I CA -0.643 60.401 61.300 -0.427 0.000 1.119 107 I CB 2.163 39.725 38.000 -0.729 0.000 1.289 107 I HN 0.631 nan 8.210 nan 0.000 0.438 108 A N 6.674 129.270 122.820 -0.373 0.000 2.444 108 A HA 0.390 4.711 4.320 0.001 0.000 0.332 108 A C -1.290 176.178 177.584 -0.193 0.000 1.430 108 A CA -0.403 51.507 52.037 -0.212 0.000 0.975 108 A CB -0.328 18.605 19.000 -0.111 0.000 1.147 108 A HN 0.695 nan 8.150 nan 0.000 0.524 109 W N 2.544 123.858 121.300 0.023 0.000 2.605 109 W HA 0.361 5.023 4.660 0.002 0.000 0.327 109 W C 0.062 176.607 176.519 0.044 0.000 1.332 109 W CA 0.089 57.475 57.345 0.069 0.000 1.403 109 W CB 0.390 29.911 29.460 0.103 0.000 1.452 109 W HN 0.487 nan 8.180 nan 0.000 0.503 110 T N 3.603 118.286 114.554 0.215 0.000 2.786 110 T HA 0.089 4.440 4.350 0.001 0.000 0.283 110 T C -0.253 174.481 174.700 0.056 0.000 0.992 110 T CA -0.868 61.283 62.100 0.084 0.000 0.954 110 T CB 0.758 69.637 68.868 0.018 0.000 0.934 110 T HN 0.191 nan 8.240 nan 0.000 0.440 111 N N 2.744 121.447 118.700 0.005 0.000 2.401 111 N HA 0.115 4.856 4.740 0.001 0.000 0.255 111 N C 0.249 175.718 175.510 -0.068 0.000 1.110 111 N CA -0.292 52.743 53.050 -0.024 0.000 0.949 111 N CB 0.405 38.889 38.487 -0.004 0.000 1.110 111 N HN 0.496 nan 8.380 nan 0.000 0.490 112 R N 3.785 124.279 120.500 -0.009 0.000 2.700 112 R HA 0.303 4.644 4.340 0.001 0.000 0.399 112 R C -0.237 176.184 176.300 0.202 0.000 1.115 112 R CA -0.331 55.830 56.100 0.101 0.000 1.058 112 R CB 0.281 30.612 30.300 0.051 0.000 1.389 112 R HN 0.494 nan 8.270 nan 0.000 0.582 113 I N 3.006 123.633 120.570 0.096 0.000 2.301 113 I HA 0.197 4.368 4.170 0.001 0.000 0.292 113 I C -2.154 173.920 176.117 -0.070 0.000 1.046 113 I CA -2.198 59.022 61.300 -0.133 0.000 1.282 113 I CB 1.037 38.658 38.000 -0.631 0.000 1.409 113 I HN -0.262 nan 8.210 nan 0.000 0.484 114 P HA 0.025 nan 4.420 nan 0.000 0.268 114 P C -0.690 176.346 177.300 -0.440 0.000 1.205 114 P CA -0.380 62.275 63.100 -0.742 0.000 0.771 114 P CB 0.337 31.760 31.700 -0.461 0.000 0.858 115 K N 2.079 122.179 120.400 -0.499 0.000 2.559 115 K HA 0.061 4.382 4.320 0.001 0.000 0.279 115 K C 1.604 178.128 176.600 -0.125 0.000 0.967 115 K CA 1.270 57.442 56.287 -0.191 0.000 1.000 115 K CB -0.854 31.559 32.500 -0.146 0.000 0.890 115 K HN 0.891 nan 8.250 nan 0.000 0.501 116 G N 1.265 110.045 108.800 -0.034 0.000 2.205 116 G HA2 -0.306 3.655 3.960 0.001 0.000 0.261 116 G HA3 -0.306 3.655 3.960 0.001 0.000 0.261 116 G C 0.136 175.059 174.900 0.038 0.000 0.980 116 G CA 0.512 45.611 45.100 -0.002 0.000 0.632 116 G HN 0.533 nan 8.290 nan 0.000 0.533 117 S N 0.794 116.528 115.700 0.056 0.000 2.558 117 S HA 0.282 4.753 4.470 0.001 0.000 0.288 117 S C 0.550 175.265 174.600 0.192 0.000 1.318 117 S CA -0.002 58.278 58.200 0.133 0.000 1.056 117 S CB 1.243 64.557 63.200 0.191 0.000 0.853 117 S HN 0.510 nan 8.310 nan 0.000 0.505 118 E N 1.072 121.364 120.200 0.154 0.000 2.414 118 E HA -0.048 4.303 4.350 0.001 0.000 0.263 118 E C -0.887 175.782 176.600 0.115 0.000 1.000 118 E CA -0.044 56.426 56.400 0.117 0.000 0.914 118 E CB 0.329 30.068 29.700 0.065 0.000 0.948 118 E HN 0.562 nan 8.360 nan 0.000 0.444 119 Y N 5.893 126.163 120.300 -0.050 0.000 2.402 119 Y HA 0.139 4.690 4.550 0.002 0.000 0.333 119 Y C -1.853 173.828 175.900 -0.366 0.000 1.076 119 Y CA -1.979 55.987 58.100 -0.223 0.000 1.299 119 Y CB 1.146 39.484 38.460 -0.204 0.000 1.197 119 Y HN 0.507 nan 8.280 nan 0.000 0.517 120 P HA -0.041 nan 4.420 nan 0.000 0.229 120 P C -0.757 176.188 177.300 -0.593 0.000 1.160 120 P CA 0.869 63.459 63.100 -0.849 0.000 0.777 120 P CB 0.275 31.316 31.700 -1.099 0.000 0.814 121 V N -0.101 119.432 119.914 -0.635 0.000 2.398 121 V HA 0.246 4.367 4.120 0.001 0.000 0.286 121 V C 0.337 176.379 176.094 -0.086 0.000 1.026 121 V CA -0.302 61.850 62.300 -0.247 0.000 0.868 121 V CB 1.516 33.272 31.823 -0.113 0.000 0.982 121 V HN -0.117 nan 8.190 nan 0.000 0.443 122 T N 3.597 118.117 114.554 -0.056 0.000 2.837 122 T HA 0.413 4.764 4.350 0.001 0.000 0.285 122 T C -0.026 174.682 174.700 0.013 0.000 0.984 122 T CA -0.133 61.946 62.100 -0.036 0.000 1.049 122 T CB 1.305 70.167 68.868 -0.010 0.000 0.947 122 T HN 0.718 nan 8.240 nan 0.000 0.472 123 S N 2.585 118.261 115.700 -0.041 0.000 2.519 123 S HA 0.736 5.207 4.470 0.001 0.000 0.309 123 S C -0.668 173.988 174.600 0.092 0.000 1.100 123 S CA -0.677 57.568 58.200 0.075 0.000 1.059 123 S CB 0.412 63.539 63.200 -0.122 0.000 1.008 123 S HN 0.681 nan 8.310 nan 0.000 0.478 124 V N 2.005 122.027 119.914 0.179 0.000 2.925 124 V HA 0.738 4.859 4.120 0.001 0.000 0.311 124 V C -1.003 175.194 176.094 0.172 0.000 1.104 124 V CA -0.945 61.436 62.300 0.136 0.000 0.954 124 V CB 1.854 33.737 31.823 0.100 0.000 1.022 124 V HN 0.863 nan 8.190 nan 0.000 0.427 125 E N 2.493 122.774 120.200 0.135 0.000 2.158 125 E HA 0.634 4.984 4.350 0.001 0.000 0.271 125 E C -0.718 175.936 176.600 0.089 0.000 0.911 125 E CA -0.760 55.717 56.400 0.127 0.000 0.767 125 E CB 2.567 32.344 29.700 0.128 0.000 1.120 125 E HN 0.935 nan 8.360 nan 0.000 0.405 126 V N 0.190 120.150 119.914 0.077 0.000 2.769 126 V HA 0.607 4.728 4.120 0.001 0.000 0.312 126 V C -2.689 173.433 176.094 0.047 0.000 1.058 126 V CA -2.864 59.469 62.300 0.056 0.000 0.952 126 V CB 1.409 33.261 31.823 0.048 0.000 1.019 126 V HN 0.418 nan 8.190 nan 0.000 0.445 127 P HA 0.269 nan 4.420 nan 0.000 0.271 127 P C 1.097 178.410 177.300 0.021 0.000 1.233 127 P CA -0.273 62.845 63.100 0.029 0.000 0.789 127 P CB 0.693 32.407 31.700 0.023 0.000 0.951 128 L N 0.140 121.373 121.223 0.016 0.000 2.012 128 L HA -0.104 4.237 4.340 0.001 0.000 0.210 128 L C 1.429 178.298 176.870 -0.001 0.000 1.073 128 L CA 1.825 56.669 54.840 0.006 0.000 0.748 128 L CB -1.257 40.805 42.059 0.005 0.000 0.891 128 L HN 0.758 nan 8.230 nan 0.000 0.431 129 G N -0.598 108.203 108.800 0.001 0.000 2.907 129 G HA2 -0.240 3.721 3.960 0.001 0.000 0.242 129 G HA3 -0.240 3.721 3.960 0.001 0.000 0.242 129 G C -2.384 172.509 174.900 -0.011 0.000 1.448 129 G CA -0.758 44.339 45.100 -0.004 0.000 0.911 129 G HN 0.198 nan 8.290 nan 0.000 0.553 130 P HA 0.297 nan 4.420 nan 0.000 0.268 130 P C -1.947 175.341 177.300 -0.020 0.000 1.204 130 P CA -0.743 62.348 63.100 -0.014 0.000 0.768 130 P CB 0.330 32.022 31.700 -0.014 0.000 0.842 131 P HA 0.051 nan 4.420 nan 0.000 0.269 131 P C 0.869 178.153 177.300 -0.027 0.000 1.209 131 P CA 0.470 63.556 63.100 -0.023 0.000 0.776 131 P CB 0.331 32.020 31.700 -0.018 0.000 0.876 132 G N 0.860 109.640 108.800 -0.033 0.000 2.180 132 G HA2 -0.227 3.733 3.960 0.001 0.000 0.263 132 G HA3 -0.227 3.733 3.960 0.001 0.000 0.263 132 G C 0.331 175.207 174.900 -0.040 0.000 0.989 132 G CA 0.803 45.881 45.100 -0.037 0.000 0.692 132 G HN 0.968 nan 8.290 nan 0.000 0.526 133 T N -2.120 112.409 114.554 -0.041 0.000 2.950 133 T HA 0.711 5.061 4.350 0.001 0.000 0.288 133 T C -2.573 172.092 174.700 -0.060 0.000 1.035 133 T CA -1.760 60.312 62.100 -0.047 0.000 1.028 133 T CB 2.621 71.466 68.868 -0.038 0.000 1.109 133 T HN -0.002 nan 8.240 nan 0.000 0.514 134 P HA 0.382 nan 4.420 nan 0.000 0.268 134 P C -0.275 176.977 177.300 -0.080 0.000 1.205 134 P CA -0.267 62.779 63.100 -0.090 0.000 0.771 134 P CB 0.066 31.702 31.700 -0.107 0.000 0.858 135 A N 5.922 128.688 122.820 -0.090 0.000 2.555 135 A HA 0.100 4.421 4.320 0.001 0.000 0.233 135 A C -1.166 176.378 177.584 -0.068 0.000 1.060 135 A CA -0.481 51.510 52.037 -0.076 0.000 0.759 135 A CB -0.921 18.025 19.000 -0.090 0.000 0.995 135 A HN 0.453 nan 8.150 nan 0.000 0.506 136 P HA -0.150 nan 4.420 nan 0.000 0.221 136 P C 0.754 178.031 177.300 -0.038 0.000 1.145 136 P CA 1.509 64.592 63.100 -0.028 0.000 0.795 136 P CB -0.073 31.624 31.700 -0.006 0.000 0.775 137 N N -1.262 117.401 118.700 -0.061 0.000 2.461 137 N HA -0.060 4.681 4.740 0.001 0.000 0.188 137 N C 0.857 176.287 175.510 -0.134 0.000 1.134 137 N CA 1.048 54.041 53.050 -0.095 0.000 0.878 137 N CB -1.634 36.783 38.487 -0.117 0.000 0.972 137 N HN 0.150 nan 8.380 nan 0.000 0.456 138 T N -3.452 111.025 114.554 -0.128 0.000 3.107 138 T HA 0.165 4.516 4.350 0.001 0.000 0.249 138 T C -0.019 174.601 174.700 -0.134 0.000 1.096 138 T CA -0.260 61.741 62.100 -0.165 0.000 1.012 138 T CB -0.222 68.534 68.868 -0.186 0.000 0.977 138 T HN 0.292 nan 8.240 nan 0.000 0.527 139 E N 2.108 122.267 120.200 -0.067 0.000 2.288 139 E HA 0.488 4.839 4.350 0.001 0.000 0.268 139 E C -2.882 173.753 176.600 0.058 0.000 0.885 139 E CA -2.959 53.440 56.400 -0.001 0.000 0.767 139 E CB 1.984 31.689 29.700 0.009 0.000 1.220 139 E HN 0.112 nan 8.360 nan 0.000 0.427 140 P HA 0.242 nan 4.420 nan 0.000 0.277 140 P C 0.145 177.515 177.300 0.118 0.000 1.276 140 P CA 0.173 63.385 63.100 0.187 0.000 0.788 140 P CB 0.394 32.250 31.700 0.260 0.000 1.114 141 G N -0.102 108.763 108.800 0.108 0.000 2.712 141 G HA2 -0.200 3.761 3.960 0.001 0.000 0.686 141 G HA3 -0.200 3.761 3.960 0.001 0.000 0.686 141 G C 0.224 175.166 174.900 0.071 0.000 1.321 141 G CA -0.473 44.673 45.100 0.077 0.000 0.813 141 G HN 0.497 nan 8.290 nan 0.000 0.599 142 R N 0.978 121.513 120.500 0.059 0.000 2.310 142 R HA 0.409 4.750 4.340 0.001 0.000 0.202 142 R C 2.116 178.444 176.300 0.046 0.000 0.933 142 R CA 1.426 57.560 56.100 0.056 0.000 1.054 142 R CB -0.088 30.242 30.300 0.050 0.000 0.985 142 R HN 2.160 nan 8.270 nan 0.000 0.489 143 G N 0.194 109.019 108.800 0.041 0.000 2.574 143 G HA2 -0.384 3.577 3.960 0.001 0.000 0.286 143 G HA3 -0.384 3.577 3.960 0.001 0.000 0.286 143 G C 0.899 175.816 174.900 0.029 0.000 1.212 143 G CA -0.081 45.038 45.100 0.032 0.000 0.979 143 G HN 0.382 nan 8.290 nan 0.000 0.557 144 G N -0.588 108.227 108.800 0.026 0.000 2.534 144 G HA2 0.339 4.300 3.960 0.001 0.000 0.217 144 G HA3 0.339 4.300 3.960 0.001 0.000 0.217 144 G C 0.816 175.730 174.900 0.024 0.000 1.128 144 G CA 1.357 46.471 45.100 0.023 0.000 0.784 144 G HN 1.223 nan 8.290 nan 0.000 0.542 145 V N 1.688 121.620 119.914 0.030 0.000 2.614 145 V HA 0.152 4.273 4.120 0.001 0.000 0.291 145 V C 0.089 176.199 176.094 0.028 0.000 1.049 145 V CA -0.866 61.453 62.300 0.031 0.000 1.038 145 V CB 1.502 33.349 31.823 0.041 0.000 0.980 145 V HN 0.227 nan 8.190 nan 0.000 0.481 146 E N 5.187 125.400 120.200 0.021 0.000 2.360 146 E HA 0.217 4.568 4.350 0.001 0.000 0.269 146 E C -2.289 174.317 176.600 0.009 0.000 1.022 146 E CA -1.728 54.679 56.400 0.013 0.000 0.887 146 E CB 0.539 30.243 29.700 0.006 0.000 0.990 146 E HN 0.453 nan 8.360 nan 0.000 0.426 147 P HA -0.108 nan 4.420 nan 0.000 0.265 147 P C 0.068 177.347 177.300 -0.034 0.000 1.187 147 P CA 0.132 63.223 63.100 -0.015 0.000 0.766 147 P CB 0.360 32.044 31.700 -0.026 0.000 0.820 148 N N 3.361 122.028 118.700 -0.056 0.000 2.434 148 N HA -0.065 4.676 4.740 0.001 0.000 0.268 148 N C 0.879 176.311 175.510 -0.129 0.000 1.256 148 N CA 0.219 53.218 53.050 -0.086 0.000 0.914 148 N CB 0.445 38.865 38.487 -0.113 0.000 1.088 148 N HN 0.194 nan 8.380 nan 0.000 0.478 149 K N 2.786 123.129 120.400 -0.095 0.000 2.288 149 K HA -0.069 4.251 4.320 0.001 0.000 0.201 149 K C 0.539 177.060 176.600 -0.133 0.000 1.048 149 K CA 0.701 56.929 56.287 -0.097 0.000 0.956 149 K CB 0.253 32.715 32.500 -0.062 0.000 0.746 149 K HN 0.554 nan 8.250 nan 0.000 0.461 150 D N 1.031 121.341 120.400 -0.150 0.000 2.149 150 D HA -0.086 4.555 4.640 0.001 0.000 0.201 150 D C 2.075 178.193 176.300 -0.303 0.000 0.972 150 D CA 0.700 54.593 54.000 -0.179 0.000 0.835 150 D CB -0.070 40.652 40.800 -0.131 0.000 0.966 150 D HN -0.086 nan 8.370 nan 0.000 0.476 151 V N 1.725 121.372 119.914 -0.444 0.000 2.307 151 V HA -0.194 3.927 4.120 0.001 0.000 0.245 151 V C 2.587 178.347 176.094 -0.556 0.000 1.045 151 V CA 1.706 63.573 62.300 -0.722 0.000 1.024 151 V CB -0.859 30.345 31.823 -1.032 0.000 0.651 151 V HN 0.164 nan 8.190 nan 0.000 0.449 152 A N -0.081 122.552 122.820 -0.313 0.000 2.076 152 A HA -0.065 4.256 4.320 0.001 0.000 0.220 152 A C 2.194 179.706 177.584 -0.120 0.000 1.160 152 A CA 1.901 53.846 52.037 -0.152 0.000 0.653 152 A CB -0.516 18.427 19.000 -0.094 0.000 0.801 152 A HN 0.609 nan 8.150 nan 0.000 0.455 153 A N -0.941 121.777 122.820 -0.170 0.000 2.218 153 A HA 0.439 4.760 4.320 0.001 0.000 0.209 153 A C 0.793 178.299 177.584 -0.130 0.000 1.168 153 A CA -0.327 51.640 52.037 -0.117 0.000 0.804 153 A CB -0.295 18.640 19.000 -0.109 0.000 0.834 153 A HN 0.409 nan 8.150 nan 0.000 0.482 154 L N 2.510 123.578 121.223 -0.258 0.000 2.513 154 L HA 0.132 4.472 4.340 0.001 0.000 0.272 154 L C -1.600 175.285 176.870 0.024 0.000 1.187 154 L CA -1.258 53.440 54.840 -0.237 0.000 0.895 154 L CB 0.379 42.060 42.059 -0.629 0.000 1.147 154 L HN 0.256 nan 8.230 nan 0.000 0.483 155 P HA 0.144 nan 4.420 nan 0.000 0.277 155 P C -0.935 176.593 177.300 0.380 0.000 1.271 155 P CA -0.686 62.532 63.100 0.197 0.000 0.795 155 P CB 0.786 32.546 31.700 0.099 0.000 1.101 156 A N 0.603 123.611 122.820 0.314 0.000 2.444 156 A HA 0.271 4.592 4.320 0.001 0.000 0.273 156 A C -0.924 176.845 177.584 0.309 0.000 1.136 156 A CA -0.025 52.112 52.037 0.167 0.000 0.799 156 A CB -1.025 17.743 19.000 -0.386 0.000 1.081 156 A HN 0.637 nan 8.150 nan 0.000 0.509 157 W N 2.898 124.288 121.300 0.151 0.000 2.680 157 W HA 0.515 5.176 4.660 0.002 0.000 0.305 157 W C -0.707 175.887 176.519 0.126 0.000 1.033 157 W CA -0.223 57.189 57.345 0.112 0.000 1.242 157 W CB 1.202 30.723 29.460 0.102 0.000 1.138 157 W HN 0.652 nan 8.180 nan 0.000 0.358 158 S N 4.308 119.898 115.700 -0.182 0.000 2.536 158 S HA 0.833 5.304 4.470 0.001 0.000 0.287 158 S C -1.995 172.451 174.600 -0.257 0.000 1.101 158 S CA -0.583 57.513 58.200 -0.174 0.000 0.950 158 S CB 1.572 64.763 63.200 -0.016 0.000 1.056 158 S HN 0.497 nan 8.310 nan 0.000 0.481 159 V N 3.583 123.346 119.914 -0.251 0.000 2.876 159 V HA 0.748 4.869 4.120 0.001 0.000 0.312 159 V C -0.728 175.264 176.094 -0.170 0.000 1.085 159 V CA -0.216 61.965 62.300 -0.198 0.000 0.945 159 V CB 2.446 34.123 31.823 -0.245 0.000 1.017 159 V HN 0.957 nan 8.190 nan 0.000 0.428 160 T N 4.469 118.855 114.554 -0.281 0.000 2.771 160 T HA 0.451 4.802 4.350 0.001 0.000 0.281 160 T C -1.176 173.279 174.700 -0.409 0.000 0.982 160 T CA 0.011 61.811 62.100 -0.501 0.000 0.978 160 T CB 0.493 68.579 68.868 -1.302 0.000 0.930 160 T HN 0.818 nan 8.240 nan 0.000 0.447 161 H N 2.851 121.635 119.070 -0.476 0.000 2.481 161 H HA 0.539 5.096 4.556 0.002 0.000 0.333 161 H C -0.917 174.126 175.328 -0.475 0.000 1.066 161 H CA -1.220 54.590 56.048 -0.398 0.000 1.209 161 H CB 0.708 30.305 29.762 -0.276 0.000 1.445 161 H HN 0.348 nan 8.280 nan 0.000 0.488 162 L N 6.636 127.388 121.223 -0.786 0.000 2.302 162 L HA 0.203 4.544 4.340 0.001 0.000 0.285 162 L C -0.507 175.692 176.870 -1.119 0.000 1.090 162 L CA -0.172 54.189 54.840 -0.798 0.000 0.866 162 L CB -0.750 40.839 42.059 -0.783 0.000 1.244 162 L HN 0.829 nan 8.230 nan 0.000 0.435 163 H N 4.591 122.979 119.070 -1.136 0.000 2.899 163 H HA 0.460 5.017 4.556 0.001 0.000 0.303 163 H C 1.232 176.176 175.328 -0.640 0.000 1.042 163 H CA 0.870 56.379 56.048 -0.899 0.000 1.479 163 H CB 0.605 29.935 29.762 -0.719 0.000 1.493 163 H HN 0.896 nan 8.280 nan 0.000 0.534 164 G N 2.716 111.247 108.800 -0.448 0.000 2.254 164 G HA2 -0.289 3.672 3.960 0.001 0.000 0.225 164 G HA3 -0.289 3.672 3.960 0.001 0.000 0.225 164 G C 0.419 174.467 174.900 -1.420 0.000 1.003 164 G CA -0.096 44.630 45.100 -0.624 0.000 0.622 164 G HN 0.992 nan 8.290 nan 0.000 0.507 165 A N 0.669 122.411 122.820 -1.798 0.000 2.520 165 A HA 0.517 4.838 4.320 0.001 0.000 0.245 165 A C 0.645 177.768 177.584 -0.768 0.000 1.072 165 A CA 1.175 52.062 52.037 -1.918 0.000 0.761 165 A CB 0.233 18.519 19.000 -1.189 0.000 1.004 165 A HN 0.815 nan 8.150 nan 0.000 0.499 166 Q N 1.914 121.441 119.800 -0.455 0.000 2.324 166 Q HA 0.408 4.749 4.340 0.001 0.000 0.257 166 Q C -0.177 175.827 176.000 0.007 0.000 1.080 166 Q CA 0.365 56.112 55.803 -0.094 0.000 0.907 166 Q CB 0.315 29.115 28.738 0.104 0.000 1.274 166 Q HN 0.830 nan 8.270 nan 0.000 0.434 167 T N 1.681 116.269 114.554 0.057 0.000 2.786 167 T HA 0.550 4.901 4.350 0.001 0.000 0.316 167 T C -0.460 174.405 174.700 0.274 0.000 1.503 167 T CA -0.054 62.137 62.100 0.152 0.000 1.019 167 T CB 0.931 69.914 68.868 0.191 0.000 1.415 167 T HN 0.701 nan 8.240 nan 0.000 0.496 168 G N 0.121 109.051 108.800 0.217 0.000 2.664 168 G HA2 0.424 4.384 3.960 0.001 0.000 0.242 168 G HA3 0.424 4.384 3.960 0.001 0.000 0.242 168 G C 1.315 176.291 174.900 0.127 0.000 1.225 168 G CA 0.154 45.399 45.100 0.241 0.000 0.849 168 G HN 1.099 nan 8.290 nan 0.000 0.581 169 G N -0.056 108.602 108.800 -0.237 0.000 2.448 169 G HA2 -0.011 3.950 3.960 0.001 0.000 0.219 169 G HA3 -0.011 3.950 3.960 0.001 0.000 0.219 169 G C 1.645 176.401 174.900 -0.241 0.000 1.127 169 G CA 1.280 46.003 45.100 -0.630 0.000 0.766 169 G HN 0.947 nan 8.290 nan 0.000 0.552 170 G N 0.264 108.983 108.800 -0.136 0.000 2.534 170 G HA2 -0.110 3.851 3.960 0.001 0.000 0.217 170 G HA3 -0.110 3.851 3.960 0.001 0.000 0.217 170 G C 1.481 176.358 174.900 -0.038 0.000 1.128 170 G CA 0.634 45.684 45.100 -0.083 0.000 0.784 170 G HN 0.448 nan 8.290 nan 0.000 0.542 171 N N 0.106 118.795 118.700 -0.019 0.000 2.250 171 N HA 0.014 4.754 4.740 0.001 0.000 0.190 171 N C 0.970 176.524 175.510 0.074 0.000 1.116 171 N CA 0.238 53.272 53.050 -0.028 0.000 0.881 171 N CB 0.402 38.826 38.487 -0.105 0.000 1.006 171 N HN 0.178 nan 8.380 nan 0.000 0.491 172 D N 0.690 121.163 120.400 0.122 0.000 2.312 172 D HA 0.028 4.669 4.640 0.001 0.000 0.211 172 D C 0.660 177.096 176.300 0.226 0.000 0.964 172 D CA 0.686 54.835 54.000 0.249 0.000 0.877 172 D CB -0.014 40.971 40.800 0.307 0.000 0.924 172 D HN 0.319 nan 8.370 nan 0.000 0.515 173 G N 0.581 109.439 108.800 0.097 0.000 2.370 173 G HA2 -0.263 3.698 3.960 0.001 0.000 0.268 173 G HA3 -0.263 3.698 3.960 0.001 0.000 0.268 173 G C -0.068 174.774 174.900 -0.095 0.000 1.122 173 G CA -0.144 44.956 45.100 0.000 0.000 0.963 173 G HN 0.349 nan 8.290 nan 0.000 0.500 174 W N 0.532 121.706 121.300 -0.210 0.000 2.435 174 W HA 0.163 4.823 4.660 0.001 0.000 0.337 174 W C 1.081 177.452 176.519 -0.248 0.000 1.300 174 W CA 0.426 57.627 57.345 -0.240 0.000 1.298 174 W CB 0.398 29.760 29.460 -0.164 0.000 1.217 174 W HN 0.688 nan 8.180 nan 0.000 0.565 175 A N 4.634 126.875 122.820 -0.964 0.000 1.948 175 A HA -0.277 4.044 4.320 0.001 0.000 0.220 175 A C 1.728 179.000 177.584 -0.519 0.000 1.177 175 A CA 2.072 53.672 52.037 -0.728 0.000 0.636 175 A CB -0.493 18.047 19.000 -0.768 0.000 0.815 175 A HN 0.719 nan 8.150 nan 0.000 0.449 176 D N -0.176 119.935 120.400 -0.481 0.000 2.263 176 D HA -0.097 4.544 4.640 0.001 0.000 0.208 176 D C 0.719 177.100 176.300 0.135 0.000 0.971 176 D CA 0.939 54.962 54.000 0.038 0.000 0.867 176 D CB -0.491 40.515 40.800 0.343 0.000 0.929 176 D HN 0.644 nan 8.370 nan 0.000 0.492 177 N N 0.402 119.141 118.700 0.066 0.000 2.346 177 N HA 0.227 4.968 4.740 0.001 0.000 0.225 177 N C 0.032 175.494 175.510 -0.081 0.000 1.144 177 N CA -0.557 52.552 53.050 0.098 0.000 0.837 177 N CB 0.640 39.227 38.487 0.167 0.000 1.069 177 N HN 0.023 nan 8.380 nan 0.000 0.487 178 A N 0.874 123.460 122.820 -0.390 0.000 2.425 178 A HA 0.373 4.694 4.320 0.001 0.000 0.242 178 A C 0.433 177.824 177.584 -0.322 0.000 1.077 178 A CA -0.275 51.324 52.037 -0.729 0.000 0.781 178 A CB 0.352 18.244 19.000 -1.847 0.000 1.020 178 A HN 0.106 nan 8.150 nan 0.000 0.494 179 V N -0.375 119.435 119.914 -0.172 0.000 2.769 179 V HA 0.881 5.002 4.120 0.001 0.000 0.312 179 V C 0.527 176.758 176.094 0.228 0.000 1.061 179 V CA -0.168 62.203 62.300 0.118 0.000 0.931 179 V CB 1.115 32.979 31.823 0.068 0.000 1.010 179 V HN 1.313 nan 8.190 nan 0.000 0.433 180 G N 1.296 110.270 108.800 0.290 0.000 2.557 180 G HA2 0.474 4.435 3.960 0.001 0.000 0.292 180 G HA3 0.474 4.435 3.960 0.001 0.000 0.292 180 G C -0.582 174.417 174.900 0.164 0.000 1.237 180 G CA -0.800 44.456 45.100 0.260 0.000 0.978 180 G HN 1.006 nan 8.290 nan 0.000 0.498 181 F N 0.503 120.476 119.950 0.038 0.000 2.604 181 F HA 0.324 4.851 4.527 0.001 0.000 0.393 181 F C 1.409 177.218 175.800 0.015 0.000 1.043 181 F CA 1.618 59.617 58.000 -0.001 0.000 1.227 181 F CB 0.422 39.413 39.000 -0.016 0.000 1.016 181 F HN 1.035 nan 8.300 nan 0.000 0.556 182 G N 3.433 111.718 108.800 -0.857 0.000 2.232 182 G HA2 -0.230 3.731 3.960 0.001 0.000 0.226 182 G HA3 -0.230 3.731 3.960 0.001 0.000 0.226 182 G C -0.195 174.522 174.900 -0.304 0.000 0.996 182 G CA 0.065 44.711 45.100 -0.758 0.000 0.626 182 G HN 0.676 nan 8.290 nan 0.000 0.509 183 D N 0.831 121.131 120.400 -0.167 0.000 2.268 183 D HA 0.750 5.391 4.640 0.001 0.000 0.249 183 D C 0.423 176.705 176.300 -0.030 0.000 1.008 183 D CA 0.692 54.654 54.000 -0.063 0.000 0.939 183 D CB 1.661 42.462 40.800 0.001 0.000 1.170 183 D HN 0.733 nan 8.370 nan 0.000 0.468 184 A N 0.730 123.550 122.820 -0.001 0.000 2.380 184 A HA 0.468 4.789 4.320 0.001 0.000 0.315 184 A C -0.621 177.002 177.584 0.066 0.000 1.101 184 A CA -0.700 51.358 52.037 0.035 0.000 0.771 184 A CB 1.585 20.592 19.000 0.011 0.000 1.287 184 A HN 0.452 nan 8.150 nan 0.000 0.436 185 Q N 1.482 121.359 119.800 0.129 0.000 2.271 185 Q HA 0.621 4.962 4.340 0.001 0.000 0.258 185 Q C -1.735 174.368 176.000 0.172 0.000 0.936 185 Q CA -0.407 55.486 55.803 0.151 0.000 0.909 185 Q CB 0.842 29.691 28.738 0.183 0.000 1.253 185 Q HN 0.703 nan 8.270 nan 0.000 0.440 186 L N 2.685 123.963 121.223 0.091 0.000 2.313 186 L HA 0.515 4.855 4.340 0.001 0.000 0.283 186 L C -0.655 176.216 176.870 0.002 0.000 1.013 186 L CA -0.683 54.172 54.840 0.024 0.000 0.816 186 L CB 1.923 43.970 42.059 -0.019 0.000 1.236 186 L HN 0.586 nan 8.230 nan 0.000 0.419 187 S N 1.718 117.374 115.700 -0.073 0.000 2.502 187 S HA 0.367 4.838 4.470 0.001 0.000 0.304 187 S C -0.718 173.612 174.600 -0.450 0.000 1.097 187 S CA -0.747 57.295 58.200 -0.263 0.000 1.045 187 S CB 2.259 65.282 63.200 -0.295 0.000 1.019 187 S HN 0.602 nan 8.310 nan 0.000 0.481 188 E N 1.842 121.804 120.200 -0.397 0.000 2.175 188 E HA 0.352 4.703 4.350 0.001 0.000 0.278 188 E C -1.667 174.692 176.600 -0.402 0.000 0.969 188 E CA -0.550 55.672 56.400 -0.297 0.000 0.796 188 E CB 0.600 30.233 29.700 -0.111 0.000 1.104 188 E HN 0.595 nan 8.360 nan 0.000 0.395 189 Y N 4.943 125.300 120.300 0.095 0.000 2.388 189 Y HA 0.284 4.835 4.550 0.001 0.000 0.328 189 Y C -1.926 174.062 175.900 0.147 0.000 0.963 189 Y CA -2.644 55.532 58.100 0.126 0.000 1.240 189 Y CB 1.678 40.250 38.460 0.186 0.000 1.118 189 Y HN 0.583 nan 8.280 nan 0.000 0.484 190 P HA -0.075 nan 4.420 nan 0.000 0.230 190 P C -0.454 176.989 177.300 0.237 0.000 1.158 190 P CA 0.907 64.125 63.100 0.196 0.000 0.769 190 P CB 0.084 31.872 31.700 0.146 0.000 0.807 191 N N -1.244 117.660 118.700 0.341 0.000 2.701 191 N HA -0.221 4.520 4.740 0.001 0.000 0.250 191 N C -0.283 175.383 175.510 0.260 0.000 1.046 191 N CA 0.490 53.757 53.050 0.362 0.000 0.733 191 N CB -1.614 37.058 38.487 0.309 0.000 0.973 191 N HN 0.217 nan 8.380 nan 0.000 0.541 192 D N 0.605 121.150 120.400 0.242 0.000 2.619 192 D HA 0.055 4.696 4.640 0.001 0.000 0.224 192 D C -0.590 175.844 176.300 0.224 0.000 1.133 192 D CA 0.325 54.429 54.000 0.174 0.000 1.017 192 D CB -0.088 40.782 40.800 0.116 0.000 1.077 192 D HN 0.394 nan 8.370 nan 0.000 0.503 193 H N 1.326 120.453 119.070 0.095 0.000 3.064 193 H HA 0.150 4.707 4.556 0.001 0.000 0.352 193 H C -0.716 174.601 175.328 -0.018 0.000 1.260 193 H CA -0.610 55.481 56.048 0.073 0.000 1.160 193 H CB 1.648 31.552 29.762 0.235 0.000 1.879 193 H HN 0.355 nan 8.280 nan 0.000 0.544 194 Q N 2.064 121.731 119.800 -0.222 0.000 2.474 194 Q HA 0.418 4.758 4.340 0.001 0.000 0.256 194 Q C -0.327 175.712 176.000 0.065 0.000 1.048 194 Q CA -0.249 55.503 55.803 -0.084 0.000 0.922 194 Q CB 0.676 29.313 28.738 -0.168 0.000 1.288 194 Q HN 0.558 nan 8.270 nan 0.000 0.484 195 A N 1.591 124.410 122.820 -0.002 0.000 2.567 195 A HA 0.318 4.639 4.320 0.001 0.000 0.240 195 A C 0.184 177.744 177.584 -0.040 0.000 1.053 195 A CA 1.011 53.022 52.037 -0.042 0.000 0.755 195 A CB 0.079 19.063 19.000 -0.027 0.000 0.978 195 A HN 0.782 nan 8.150 nan 0.000 0.507 196 T N 0.641 115.102 114.554 -0.155 0.000 2.663 196 T HA 0.366 4.717 4.350 0.001 0.000 0.305 196 T C -1.570 172.996 174.700 -0.224 0.000 1.660 196 T CA -0.509 61.505 62.100 -0.144 0.000 0.976 196 T CB 0.984 69.791 68.868 -0.101 0.000 1.705 196 T HN 0.839 nan 8.240 nan 0.000 0.494 197 Q N 1.610 121.351 119.800 -0.097 0.000 2.372 197 Q HA 0.414 4.755 4.340 0.001 0.000 0.259 197 Q C -1.131 174.967 176.000 0.162 0.000 0.993 197 Q CA -0.725 55.083 55.803 0.009 0.000 0.854 197 Q CB 0.563 29.333 28.738 0.053 0.000 1.231 197 Q HN 0.499 nan 8.270 nan 0.000 0.462 198 W N 3.862 125.253 121.300 0.152 0.000 2.367 198 W HA 0.511 5.172 4.660 0.002 0.000 0.369 198 W C -0.133 176.570 176.519 0.306 0.000 1.276 198 W CA -0.845 56.588 57.345 0.147 0.000 1.415 198 W CB 0.781 30.207 29.460 -0.056 0.000 1.306 198 W HN 0.603 nan 8.180 nan 0.000 0.669 199 W N 1.687 123.102 121.300 0.192 0.000 3.167 199 W HA 0.525 5.185 4.660 0.001 0.000 0.324 199 W C -2.175 174.393 176.519 0.082 0.000 1.230 199 W CA -2.208 55.204 57.345 0.112 0.000 1.184 199 W CB -0.290 29.177 29.460 0.013 0.000 1.414 199 W HN 0.536 nan 8.180 nan 0.000 0.551 200 Y N 0.613 120.880 120.300 -0.056 0.000 2.485 200 Y HA 0.801 5.352 4.550 0.001 0.000 0.345 200 Y C -0.724 175.015 175.900 -0.267 0.000 0.998 200 Y CA -1.210 56.640 58.100 -0.417 0.000 1.059 200 Y CB 1.652 39.866 38.460 -0.410 0.000 1.234 200 Y HN 0.725 nan 8.280 nan 0.000 0.461 201 H N -1.316 117.594 119.070 -0.267 0.000 3.003 201 H HA 0.381 4.938 4.556 0.001 0.000 0.327 201 H C -1.844 173.491 175.328 0.012 0.000 1.353 201 H CA -1.304 54.708 56.048 -0.060 0.000 1.142 201 H CB 0.924 30.563 29.762 -0.206 0.000 1.864 201 H HN 0.755 nan 8.280 nan 0.000 0.529 202 D N -0.723 119.825 120.400 0.247 0.000 2.419 202 D HA 0.030 4.671 4.640 0.001 0.000 0.236 202 D C 0.153 176.541 176.300 0.146 0.000 1.165 202 D CA 0.549 54.633 54.000 0.140 0.000 0.882 202 D CB 0.439 41.326 40.800 0.146 0.000 1.201 202 D HN 0.711 nan 8.370 nan 0.000 0.443 203 H N 1.381 120.397 119.070 -0.091 0.000 3.233 203 H HA 0.292 4.849 4.556 0.001 0.000 0.252 203 H C -0.826 174.334 175.328 -0.281 0.000 1.175 203 H CA -0.084 55.869 56.048 -0.158 0.000 1.018 203 H CB 0.043 29.687 29.762 -0.196 0.000 2.006 203 H HN 0.451 nan 8.280 nan 0.000 0.714 204 A N 1.609 124.339 122.820 -0.150 0.000 2.565 204 A HA 0.122 4.443 4.320 0.001 0.000 0.237 204 A C 0.769 178.229 177.584 -0.207 0.000 1.053 204 A CA -0.111 51.722 52.037 -0.340 0.000 0.755 204 A CB -0.193 18.589 19.000 -0.363 0.000 0.980 204 A HN 0.441 nan 8.150 nan 0.000 0.506 205 M N 3.344 122.815 119.600 -0.215 0.000 2.246 205 M HA 0.134 4.614 4.480 0.001 0.000 0.350 205 M C 0.760 177.087 176.300 0.046 0.000 1.406 205 M CA 0.953 56.179 55.300 -0.122 0.000 1.089 205 M CB -0.670 31.889 32.600 -0.069 0.000 1.782 205 M HN 0.829 nan 8.290 nan 0.000 0.457 206 N N 2.649 121.295 118.700 -0.089 0.000 2.951 206 N HA -0.259 4.482 4.740 0.001 0.000 0.218 206 N C 0.324 175.798 175.510 -0.060 0.000 0.858 206 N CA 2.032 55.044 53.050 -0.063 0.000 1.050 206 N CB -1.750 36.753 38.487 0.026 0.000 1.012 206 N HN 0.874 nan 8.380 nan 0.000 0.611 207 I N -4.070 116.505 120.570 0.009 0.000 3.966 207 I HA 0.331 4.502 4.170 0.001 0.000 0.324 207 I C 1.118 177.229 176.117 -0.010 0.000 1.517 207 I CA -0.293 61.070 61.300 0.105 0.000 1.117 207 I CB 0.586 38.798 38.000 0.353 0.000 1.190 207 I HN -0.240 nan 8.210 nan 0.000 0.466 208 T N 2.091 116.548 114.554 -0.163 0.000 2.777 208 T HA -0.148 4.203 4.350 0.001 0.000 0.266 208 T C 1.984 176.545 174.700 -0.233 0.000 1.040 208 T CA 2.102 64.100 62.100 -0.170 0.000 1.141 208 T CB -0.309 68.394 68.868 -0.274 0.000 0.868 208 T HN 0.584 nan 8.240 nan 0.000 0.444 209 R N -0.010 120.224 120.500 -0.444 0.000 2.170 209 R HA -0.138 4.203 4.340 0.001 0.000 0.242 209 R C 1.831 177.813 176.300 -0.530 0.000 1.145 209 R CA 1.426 57.195 56.100 -0.552 0.000 0.984 209 R CB -0.417 29.394 30.300 -0.815 0.000 0.869 209 R HN 0.435 nan 8.270 nan 0.000 0.455 210 W N 0.814 122.024 121.300 -0.150 0.000 2.644 210 W HA 0.186 4.846 4.660 0.001 0.000 0.279 210 W C 1.654 178.174 176.519 0.001 0.000 1.164 210 W CA -0.232 57.064 57.345 -0.083 0.000 1.457 210 W CB -0.981 28.484 29.460 0.008 0.000 1.087 210 W HN 0.113 nan 8.180 nan 0.000 0.573 211 N N 0.842 119.717 118.700 0.291 0.000 2.149 211 N HA -0.137 4.604 4.740 0.001 0.000 0.188 211 N C 1.770 177.366 175.510 0.143 0.000 1.019 211 N CA 1.492 54.686 53.050 0.240 0.000 0.857 211 N CB -0.817 37.827 38.487 0.263 0.000 0.997 211 N HN -0.118 nan 8.380 nan 0.000 0.426 212 V N 1.156 121.125 119.914 0.091 0.000 2.323 212 V HA -0.140 3.981 4.120 0.001 0.000 0.244 212 V C 2.321 178.458 176.094 0.071 0.000 1.041 212 V CA 1.335 63.700 62.300 0.108 0.000 1.025 212 V CB -0.470 31.365 31.823 0.019 0.000 0.656 212 V HN 0.296 nan 8.190 nan 0.000 0.451 213 M N 0.568 120.152 119.600 -0.027 0.000 2.202 213 M HA -0.180 4.301 4.480 0.001 0.000 0.262 213 M C 1.974 178.235 176.300 -0.065 0.000 1.063 213 M CA 2.081 57.333 55.300 -0.080 0.000 1.097 213 M CB -0.307 32.221 32.600 -0.120 0.000 1.382 213 M HN 0.321 nan 8.290 nan 0.000 0.413 214 A N -0.602 122.158 122.820 -0.100 0.000 2.125 214 A HA 0.141 4.462 4.320 0.001 0.000 0.219 214 A C 1.816 179.333 177.584 -0.112 0.000 1.156 214 A CA 1.385 53.261 52.037 -0.268 0.000 0.671 214 A CB -0.837 17.853 19.000 -0.517 0.000 0.794 214 A HN 0.837 nan 8.150 nan 0.000 0.459 215 G N -2.310 106.548 108.800 0.096 0.000 2.318 215 G HA2 -0.106 3.855 3.960 0.001 0.000 0.172 215 G HA3 -0.106 3.855 3.960 0.001 0.000 0.172 215 G C 0.153 175.166 174.900 0.189 0.000 1.002 215 G CA -0.097 45.105 45.100 0.169 0.000 0.697 215 G HN 0.329 nan 8.290 nan 0.000 0.483 216 L N 2.177 123.555 121.223 0.258 0.000 2.423 216 L HA 0.540 4.880 4.340 0.001 0.000 0.249 216 L C 0.146 177.373 176.870 0.594 0.000 1.276 216 L CA -0.648 54.317 54.840 0.209 0.000 1.199 216 L CB -0.784 41.305 42.059 0.049 0.000 1.407 216 L HN 0.446 nan 8.230 nan 0.000 0.410 217 Y N -0.859 119.668 120.300 0.379 0.000 2.558 217 Y HA 0.874 5.425 4.550 0.002 0.000 0.333 217 Y C -0.248 175.651 175.900 -0.001 0.000 1.125 217 Y CA -1.054 57.178 58.100 0.220 0.000 1.039 217 Y CB 1.429 40.078 38.460 0.314 0.000 1.331 217 Y HN 0.120 nan 8.280 nan 0.000 0.456 218 G N 0.242 108.790 108.800 -0.419 0.000 2.550 218 G HA2 0.498 4.459 3.960 0.001 0.000 0.293 218 G HA3 0.498 4.459 3.960 0.001 0.000 0.293 218 G C -1.884 172.805 174.900 -0.351 0.000 1.402 218 G CA -0.543 44.257 45.100 -0.501 0.000 0.784 218 G HN 0.781 nan 8.290 nan 0.000 0.482 219 T N -1.556 113.033 114.554 0.058 0.000 2.940 219 T HA 0.701 5.052 4.350 0.001 0.000 0.288 219 T C -1.955 173.042 174.700 0.495 0.000 1.045 219 T CA -0.489 61.788 62.100 0.294 0.000 1.018 219 T CB 1.490 70.488 68.868 0.218 0.000 1.151 219 T HN 0.805 nan 8.240 nan 0.000 0.529 220 Y N 2.167 122.648 120.300 0.301 0.000 2.330 220 Y HA 0.585 5.136 4.550 0.002 0.000 0.324 220 Y C -1.892 174.066 175.900 0.096 0.000 1.093 220 Y CA -1.034 57.212 58.100 0.242 0.000 1.103 220 Y CB 0.936 39.595 38.460 0.331 0.000 1.183 220 Y HN 0.549 nan 8.280 nan 0.000 0.433 221 L N 6.941 128.188 121.223 0.040 0.000 2.341 221 L HA 0.742 5.082 4.340 0.001 0.000 0.278 221 L C -0.917 175.872 176.870 -0.136 0.000 1.005 221 L CA -1.338 53.482 54.840 -0.032 0.000 0.818 221 L CB 1.809 43.848 42.059 -0.033 0.000 1.259 221 L HN 0.337 nan 8.230 nan 0.000 0.418 222 V N 3.286 123.085 119.914 -0.192 0.000 2.435 222 V HA 0.544 4.665 4.120 0.001 0.000 0.290 222 V C 0.018 176.034 176.094 -0.131 0.000 1.030 222 V CA -0.823 61.357 62.300 -0.200 0.000 0.881 222 V CB 1.561 33.163 31.823 -0.367 0.000 0.983 222 V HN 0.638 nan 8.190 nan 0.000 0.445 223 R N 3.328 123.775 120.500 -0.088 0.000 2.668 223 R HA 0.745 5.086 4.340 0.001 0.000 0.279 223 R C -0.803 175.474 176.300 -0.039 0.000 0.976 223 R CA -0.712 55.354 56.100 -0.057 0.000 0.978 223 R CB 1.872 32.143 30.300 -0.049 0.000 1.133 223 R HN 1.013 nan 8.270 nan 0.000 0.484 224 D N -1.617 118.766 120.400 -0.027 0.000 2.759 224 D HA 0.175 4.816 4.640 0.001 0.000 0.321 224 D C -0.305 175.988 176.300 -0.012 0.000 1.267 224 D CA -0.531 53.459 54.000 -0.016 0.000 0.933 224 D CB 0.323 41.114 40.800 -0.014 0.000 1.431 224 D HN 0.121 nan 8.370 nan 0.000 0.504 225 D N -0.496 119.899 120.400 -0.008 0.000 2.194 225 D HA -0.072 4.568 4.640 0.001 0.000 0.204 225 D C 1.447 177.745 176.300 -0.004 0.000 0.964 225 D CA 0.992 54.989 54.000 -0.006 0.000 0.846 225 D CB 0.122 40.919 40.800 -0.005 0.000 0.962 225 D HN 0.658 nan 8.370 nan 0.000 0.490 226 E N 0.991 121.190 120.200 -0.001 0.000 2.051 226 E HA -0.210 4.141 4.350 0.001 0.000 0.192 226 E C 1.914 178.517 176.600 0.005 0.000 0.991 226 E CA 0.974 57.377 56.400 0.005 0.000 0.799 226 E CB 0.083 29.791 29.700 0.014 0.000 0.748 226 E HN 0.236 nan 8.360 nan 0.000 0.449 227 E N 0.189 120.392 120.200 0.005 0.000 2.051 227 E HA -0.241 4.110 4.350 0.001 0.000 0.192 227 E C 1.669 178.269 176.600 -0.001 0.000 0.991 227 E CA 1.627 58.029 56.400 0.004 0.000 0.799 227 E CB -0.055 29.644 29.700 -0.001 0.000 0.748 227 E HN 0.262 nan 8.360 nan 0.000 0.449 228 D N 0.313 120.709 120.400 -0.006 0.000 2.149 228 D HA -0.190 4.450 4.640 0.001 0.000 0.194 228 D C 1.688 177.985 176.300 -0.005 0.000 1.001 228 D CA 1.559 55.554 54.000 -0.008 0.000 0.849 228 D CB -0.381 40.413 40.800 -0.011 0.000 0.939 228 D HN 0.322 nan 8.370 nan 0.000 0.449 229 A N -0.114 122.703 122.820 -0.005 0.000 2.209 229 A HA -0.007 4.314 4.320 0.001 0.000 0.212 229 A C 2.128 179.707 177.584 -0.009 0.000 1.158 229 A CA 0.357 52.389 52.037 -0.008 0.000 0.742 229 A CB -0.507 18.487 19.000 -0.010 0.000 0.790 229 A HN 0.231 nan 8.150 nan 0.000 0.472 230 L N -1.183 120.041 121.223 0.003 0.000 2.492 230 L HA 0.114 4.455 4.340 0.001 0.000 0.223 230 L C 1.624 178.530 176.870 0.059 0.000 1.132 230 L CA 0.555 55.403 54.840 0.014 0.000 0.850 230 L CB -0.223 41.853 42.059 0.028 0.000 0.966 230 L HN 0.551 nan 8.230 nan 0.000 0.454 231 G N 1.257 110.085 108.800 0.046 0.000 2.323 231 G HA2 -0.282 3.679 3.960 0.001 0.000 0.292 231 G HA3 -0.282 3.679 3.960 0.001 0.000 0.292 231 G C 0.124 175.090 174.900 0.109 0.000 1.040 231 G CA -0.101 45.039 45.100 0.068 0.000 0.942 231 G HN 0.229 nan 8.290 nan 0.000 0.506 232 L N 0.169 121.401 121.223 0.015 0.000 2.439 232 L HA 0.297 4.638 4.340 0.001 0.000 0.269 232 L C -1.194 175.527 176.870 -0.249 0.000 1.179 232 L CA -1.922 52.826 54.840 -0.154 0.000 0.828 232 L CB 0.230 42.229 42.059 -0.101 0.000 1.106 232 L HN 0.003 nan 8.230 nan 0.000 0.467 233 P HA -0.025 nan 4.420 nan 0.000 0.263 233 P C -0.648 176.547 177.300 -0.174 0.000 1.168 233 P CA 0.230 63.152 63.100 -0.296 0.000 0.759 233 P CB 0.533 32.038 31.700 -0.325 0.000 0.782 234 S N 0.721 116.340 115.700 -0.135 0.000 2.752 234 S HA 0.791 5.262 4.470 0.001 0.000 0.284 234 S C 0.449 175.008 174.600 -0.068 0.000 1.189 234 S CA -0.113 58.039 58.200 -0.081 0.000 0.835 234 S CB 1.219 64.383 63.200 -0.061 0.000 1.192 234 S HN 0.814 nan 8.310 nan 0.000 0.506 235 G N 1.420 110.198 108.800 -0.036 0.000 2.591 235 G HA2 -0.323 3.638 3.960 0.001 0.000 0.298 235 G HA3 -0.323 3.638 3.960 0.001 0.000 0.298 235 G C 0.272 175.168 174.900 -0.007 0.000 1.195 235 G CA 0.878 45.965 45.100 -0.020 0.000 0.989 235 G HN 0.824 nan 8.290 nan 0.000 0.551 236 D N 0.921 121.319 120.400 -0.003 0.000 2.271 236 D HA -0.062 4.579 4.640 0.001 0.000 0.207 236 D C 2.434 178.750 176.300 0.027 0.000 0.983 236 D CA 1.120 55.140 54.000 0.033 0.000 0.878 236 D CB -0.062 40.758 40.800 0.033 0.000 0.920 236 D HN 0.410 nan 8.370 nan 0.000 0.479 237 R N 0.322 120.753 120.500 -0.116 0.000 2.362 237 R HA 0.151 4.491 4.340 0.001 0.000 0.227 237 R C 0.333 176.566 176.300 -0.112 0.000 0.905 237 R CA -0.067 55.815 56.100 -0.363 0.000 1.067 237 R CB 0.656 30.625 30.300 -0.551 0.000 1.078 237 R HN 0.231 nan 8.270 nan 0.000 0.516 238 E N 1.534 121.736 120.200 0.003 0.000 2.129 238 E HA 0.333 4.684 4.350 0.001 0.000 0.268 238 E C -0.969 175.699 176.600 0.112 0.000 0.900 238 E CA -0.357 56.076 56.400 0.055 0.000 0.755 238 E CB 0.889 30.596 29.700 0.012 0.000 1.117 238 E HN 0.041 nan 8.360 nan 0.000 0.410 239 I N 6.347 127.014 120.570 0.162 0.000 2.410 239 I HA 0.341 4.512 4.170 0.001 0.000 0.286 239 I C -2.314 173.876 176.117 0.123 0.000 1.009 239 I CA -2.620 58.774 61.300 0.157 0.000 1.111 239 I CB 1.646 39.777 38.000 0.218 0.000 1.262 239 I HN 0.352 nan 8.210 nan 0.000 0.443 240 P HA 0.292 nan 4.420 nan 0.000 0.276 240 P C -0.951 176.394 177.300 0.075 0.000 1.230 240 P CA -0.131 63.018 63.100 0.081 0.000 0.776 240 P CB 0.708 32.453 31.700 0.074 0.000 0.888 241 L N 4.092 125.355 121.223 0.066 0.000 2.345 241 L HA 0.390 4.731 4.340 0.001 0.000 0.274 241 L C -0.538 176.341 176.870 0.014 0.000 0.999 241 L CA -0.710 54.157 54.840 0.045 0.000 0.849 241 L CB 1.060 43.151 42.059 0.053 0.000 1.220 241 L HN 0.167 nan 8.230 nan 0.000 0.422 242 L N 5.596 126.837 121.223 0.031 0.000 2.277 242 L HA 0.502 4.843 4.340 0.001 0.000 0.284 242 L C 0.059 176.941 176.870 0.020 0.000 1.028 242 L CA -0.057 54.803 54.840 0.033 0.000 0.835 242 L CB 1.107 43.274 42.059 0.179 0.000 1.215 242 L HN 0.457 nan 8.230 nan 0.000 0.425 243 I N 0.603 121.114 120.570 -0.098 0.000 2.460 243 I HA 1.014 5.185 4.170 0.001 0.000 0.298 243 I C -0.308 175.728 176.117 -0.136 0.000 0.989 243 I CA -0.683 60.532 61.300 -0.142 0.000 1.173 243 I CB 2.047 39.861 38.000 -0.310 0.000 1.338 243 I HN 0.578 nan 8.210 nan 0.000 0.456 244 A N 4.289 127.079 122.820 -0.049 0.000 2.491 244 A HA 0.449 4.770 4.320 0.001 0.000 0.293 244 A C -1.156 176.523 177.584 0.160 0.000 1.047 244 A CA -0.734 51.311 52.037 0.014 0.000 0.735 244 A CB 1.067 19.958 19.000 -0.181 0.000 1.281 244 A HN 0.882 nan 8.150 nan 0.000 0.398 245 D N 2.092 122.681 120.400 0.314 0.000 2.362 245 D HA 0.464 5.104 4.640 0.001 0.000 0.242 245 D C -0.191 176.316 176.300 0.346 0.000 1.132 245 D CA 0.039 54.243 54.000 0.340 0.000 0.907 245 D CB 0.756 41.739 40.800 0.305 0.000 1.195 245 D HN 0.381 nan 8.370 nan 0.000 0.429 246 R N 1.213 121.920 120.500 0.345 0.000 2.774 246 R HA 0.450 4.791 4.340 0.001 0.000 0.272 246 R C -0.625 175.976 176.300 0.501 0.000 1.000 246 R CA -0.875 55.448 56.100 0.371 0.000 0.906 246 R CB 1.495 31.893 30.300 0.165 0.000 1.227 246 R HN 0.545 nan 8.270 nan 0.000 0.468 247 N N 0.762 119.797 118.700 0.558 0.000 2.402 247 N HA 0.635 5.375 4.740 0.001 0.000 0.294 247 N C -1.147 174.539 175.510 0.293 0.000 1.203 247 N CA -0.539 52.780 53.050 0.450 0.000 0.838 247 N CB 1.370 40.097 38.487 0.400 0.000 1.306 247 N HN 0.407 nan 8.380 nan 0.000 0.510 248 L N 0.419 121.801 121.223 0.265 0.000 2.409 248 L HA 0.405 4.746 4.340 0.001 0.000 0.262 248 L C -0.285 176.645 176.870 0.101 0.000 0.992 248 L CA -0.973 53.928 54.840 0.102 0.000 0.817 248 L CB 2.059 44.085 42.059 -0.055 0.000 1.350 248 L HN 0.439 nan 8.230 nan 0.000 0.411 249 D N 0.534 120.967 120.400 0.054 0.000 2.383 249 D HA 0.494 5.135 4.640 0.001 0.000 0.248 249 D C -0.514 175.809 176.300 0.039 0.000 1.170 249 D CA 0.159 54.190 54.000 0.052 0.000 0.977 249 D CB 1.619 42.440 40.800 0.036 0.000 1.120 249 D HN 0.632 nan 8.370 nan 0.000 0.481 250 T N -1.522 113.056 114.554 0.040 0.000 2.906 250 T HA 0.477 4.828 4.350 0.001 0.000 0.295 250 T C -0.481 174.235 174.700 0.026 0.000 1.075 250 T CA -1.025 61.094 62.100 0.032 0.000 1.005 250 T CB 1.564 70.457 68.868 0.042 0.000 1.136 250 T HN 0.084 nan 8.240 nan 0.000 0.498 251 D N 0.571 120.983 120.400 0.020 0.000 2.383 251 D HA 0.177 4.817 4.640 0.001 0.000 0.248 251 D C 1.271 177.582 176.300 0.019 0.000 1.170 251 D CA -0.666 53.344 54.000 0.017 0.000 0.977 251 D CB 0.814 41.622 40.800 0.013 0.000 1.120 251 D HN 0.886 nan 8.370 nan 0.000 0.481 252 E N 0.070 120.280 120.200 0.016 0.000 2.273 252 E HA -0.225 4.126 4.350 0.001 0.000 0.198 252 E C 0.388 176.997 176.600 0.016 0.000 1.002 252 E CA 1.107 57.517 56.400 0.016 0.000 0.828 252 E CB 0.189 29.896 29.700 0.013 0.000 0.747 252 E HN 0.397 nan 8.360 nan 0.000 0.491 253 D N -1.802 118.607 120.400 0.015 0.000 2.342 253 D HA 0.094 4.734 4.640 0.001 0.000 0.221 253 D C 1.175 177.486 176.300 0.019 0.000 1.101 253 D CA 0.609 54.618 54.000 0.015 0.000 0.837 253 D CB 0.422 41.230 40.800 0.012 0.000 0.938 253 D HN 0.265 nan 8.370 nan 0.000 0.508 254 G N 0.384 109.198 108.800 0.022 0.000 2.195 254 G HA2 -0.280 3.681 3.960 0.001 0.000 0.246 254 G HA3 -0.280 3.681 3.960 0.001 0.000 0.246 254 G C 0.339 175.257 174.900 0.029 0.000 0.984 254 G CA -0.319 44.799 45.100 0.029 0.000 0.633 254 G HN 0.351 nan 8.290 nan 0.000 0.525 255 R N 0.446 120.958 120.500 0.019 0.000 2.489 255 R HA 0.314 4.654 4.340 0.001 0.000 0.287 255 R C 0.965 177.268 176.300 0.006 0.000 1.053 255 R CA -0.368 55.739 56.100 0.011 0.000 1.036 255 R CB 0.378 30.681 30.300 0.005 0.000 0.966 255 R HN 0.360 nan 8.270 nan 0.000 0.432 256 L N 4.115 125.332 121.223 -0.009 0.000 2.559 256 L HA -0.119 4.222 4.340 0.001 0.000 0.274 256 L C 1.320 178.168 176.870 -0.036 0.000 1.205 256 L CA 0.324 55.142 54.840 -0.037 0.000 0.907 256 L CB 0.091 42.088 42.059 -0.104 0.000 1.153 256 L HN 0.699 nan 8.230 nan 0.000 0.490 257 N N 1.210 119.896 118.700 -0.023 0.000 2.187 257 N HA 0.102 4.843 4.740 0.001 0.000 0.212 257 N C 0.999 176.505 175.510 -0.007 0.000 1.152 257 N CA 0.310 53.355 53.050 -0.009 0.000 0.872 257 N CB 0.964 39.456 38.487 0.008 0.000 1.025 257 N HN 0.723 nan 8.380 nan 0.000 0.514 258 G N 0.503 109.278 108.800 -0.041 0.000 2.189 258 G HA2 -0.371 3.590 3.960 0.001 0.000 0.267 258 G HA3 -0.371 3.590 3.960 0.001 0.000 0.267 258 G C -0.106 174.780 174.900 -0.024 0.000 0.975 258 G CA 0.204 45.276 45.100 -0.045 0.000 0.644 258 G HN 0.477 nan 8.290 nan 0.000 0.537 259 R N 0.186 120.680 120.500 -0.009 0.000 2.449 259 R HA 0.362 4.703 4.340 0.001 0.000 0.296 259 R C 0.854 177.134 176.300 -0.034 0.000 1.047 259 R CA -0.399 55.687 56.100 -0.023 0.000 1.018 259 R CB 0.509 30.805 30.300 -0.008 0.000 0.962 259 R HN 0.317 nan 8.270 nan 0.000 0.428 260 L N 4.265 125.445 121.223 -0.071 0.000 2.559 260 L HA -0.022 4.319 4.340 0.001 0.000 0.274 260 L C 0.032 176.896 176.870 -0.010 0.000 1.205 260 L CA 0.173 54.979 54.840 -0.057 0.000 0.907 260 L CB -0.021 41.965 42.059 -0.122 0.000 1.153 260 L HN 0.386 nan 8.230 nan 0.000 0.490 261 L N 4.624 125.881 121.223 0.058 0.000 2.343 261 L HA 0.315 4.656 4.340 0.001 0.000 0.278 261 L C -0.205 176.785 176.870 0.200 0.000 0.996 261 L CA -0.191 54.722 54.840 0.122 0.000 0.831 261 L CB 1.077 43.217 42.059 0.134 0.000 1.232 261 L HN 0.439 nan 8.230 nan 0.000 0.413 262 H N 5.740 124.878 119.070 0.114 0.000 2.820 262 H HA 0.279 4.835 4.556 0.001 0.000 0.278 262 H C -1.163 174.362 175.328 0.327 0.000 1.142 262 H CA -0.253 55.897 56.048 0.169 0.000 1.346 262 H CB 0.700 30.618 29.762 0.260 0.000 1.438 262 H HN 0.643 nan 8.280 nan 0.000 0.473 263 K N 4.866 125.436 120.400 0.283 0.000 2.483 263 K HA 0.220 4.541 4.320 0.001 0.000 0.256 263 K C -0.812 175.843 176.600 0.091 0.000 0.961 263 K CA -0.610 55.792 56.287 0.193 0.000 0.873 263 K CB 0.820 33.418 32.500 0.162 0.000 1.107 263 K HN 0.660 nan 8.250 nan 0.000 0.432 264 T N -0.749 113.871 114.554 0.111 0.000 2.950 264 T HA 0.512 4.863 4.350 0.001 0.000 0.288 264 T C -0.273 174.478 174.700 0.085 0.000 1.035 264 T CA -0.787 61.360 62.100 0.079 0.000 1.028 264 T CB 1.616 70.558 68.868 0.123 0.000 1.109 264 T HN 0.129 nan 8.240 nan 0.000 0.514 265 V N 2.160 122.117 119.914 0.073 0.000 2.398 265 V HA 0.385 4.506 4.120 0.001 0.000 0.286 265 V C 0.193 176.331 176.094 0.073 0.000 1.026 265 V CA -0.956 61.380 62.300 0.060 0.000 0.868 265 V CB 1.056 32.902 31.823 0.038 0.000 0.982 265 V HN 0.841 nan 8.190 nan 0.000 0.443 266 I N 5.211 125.821 120.570 0.066 0.000 2.505 266 I HA 0.041 4.212 4.170 0.001 0.000 0.287 266 I C 1.187 177.336 176.117 0.053 0.000 1.104 266 I CA 0.289 61.630 61.300 0.067 0.000 1.387 266 I CB 1.221 39.257 38.000 0.060 0.000 1.404 266 I HN 0.659 nan 8.210 nan 0.000 0.528 267 V N 2.180 122.128 119.914 0.058 0.000 3.471 267 V HA 0.169 4.290 4.120 0.001 0.000 0.258 267 V C 0.587 176.701 176.094 0.033 0.000 1.192 267 V CA 0.297 62.622 62.300 0.043 0.000 1.116 267 V CB -0.275 31.576 31.823 0.047 0.000 0.792 267 V HN 0.818 nan 8.190 nan 0.000 0.459 268 Q N 0.292 120.113 119.800 0.034 0.000 2.294 268 Q HA 0.311 4.652 4.340 0.001 0.000 0.264 268 Q C 0.421 176.438 176.000 0.027 0.000 0.992 268 Q CA -0.473 55.343 55.803 0.022 0.000 0.747 268 Q CB 2.137 30.881 28.738 0.009 0.000 1.262 268 Q HN 0.280 nan 8.270 nan 0.000 0.452 269 Q N 1.321 121.136 119.800 0.026 0.000 2.124 269 Q HA 0.029 4.369 4.340 0.001 0.000 0.202 269 Q C -0.182 175.835 176.000 0.028 0.000 0.977 269 Q CA 1.264 57.085 55.803 0.029 0.000 0.850 269 Q CB 0.408 29.161 28.738 0.025 0.000 0.901 269 Q HN 0.364 nan 8.270 nan 0.000 0.429 270 S N 0.191 115.904 115.700 0.021 0.000 2.721 270 S HA 0.353 4.823 4.470 0.001 0.000 0.264 270 S C -1.313 173.294 174.600 0.012 0.000 1.161 270 S CA -0.850 57.362 58.200 0.020 0.000 1.113 270 S CB 0.041 63.253 63.200 0.019 0.000 1.079 270 S HN 0.430 nan 8.310 nan 0.000 0.479 271 N N 5.055 123.760 118.700 0.007 0.000 2.483 271 N HA 0.262 5.003 4.740 0.001 0.000 0.264 271 N C -1.605 173.907 175.510 0.002 0.000 1.197 271 N CA -1.300 51.746 53.050 -0.007 0.000 0.927 271 N CB 0.967 39.434 38.487 -0.034 0.000 1.065 271 N HN 0.248 nan 8.380 nan 0.000 0.461 272 P HA -0.182 nan 4.420 nan 0.000 0.216 272 P C 0.215 177.521 177.300 0.011 0.000 1.150 272 P CA 1.541 64.646 63.100 0.007 0.000 0.843 272 P CB 0.183 31.887 31.700 0.006 0.000 0.787 273 E N -1.684 118.523 120.200 0.011 0.000 2.170 273 E HA -0.059 4.291 4.350 0.001 0.000 0.191 273 E C 1.618 178.233 176.600 0.025 0.000 0.981 273 E CA 1.710 58.122 56.400 0.019 0.000 0.830 273 E CB -0.286 29.428 29.700 0.024 0.000 0.775 273 E HN 0.396 nan 8.360 nan 0.000 0.470 274 T N -4.213 110.356 114.554 0.025 0.000 2.955 274 T HA 0.280 4.631 4.350 0.001 0.000 0.251 274 T C 1.600 176.320 174.700 0.034 0.000 1.002 274 T CA 0.392 62.514 62.100 0.037 0.000 0.970 274 T CB 0.853 69.753 68.868 0.054 0.000 1.091 274 T HN 0.216 nan 8.240 nan 0.000 0.495 275 G N 2.802 111.618 108.800 0.026 0.000 2.166 275 G HA2 -0.290 3.670 3.960 0.001 0.000 0.260 275 G HA3 -0.290 3.670 3.960 0.001 0.000 0.260 275 G C -0.057 174.863 174.900 0.033 0.000 0.986 275 G CA 0.743 45.858 45.100 0.026 0.000 0.683 275 G HN 0.975 nan 8.290 nan 0.000 0.527 276 K N -0.054 120.372 120.400 0.043 0.000 2.185 276 K HA 0.760 5.081 4.320 0.001 0.000 0.240 276 K C -2.831 173.804 176.600 0.057 0.000 0.983 276 K CA -2.359 53.962 56.287 0.056 0.000 0.873 276 K CB 2.574 35.120 32.500 0.075 0.000 1.118 276 K HN 0.056 nan 8.250 nan 0.000 0.441 277 P HA 0.097 nan 4.420 nan 0.000 0.274 277 P C -0.724 176.631 177.300 0.093 0.000 1.237 277 P CA -0.526 62.615 63.100 0.069 0.000 0.793 277 P CB 0.845 32.589 31.700 0.073 0.000 0.977 278 V N 1.462 121.424 119.914 0.080 0.000 2.483 278 V HA 0.393 4.513 4.120 0.001 0.000 0.297 278 V C 0.295 176.460 176.094 0.120 0.000 1.027 278 V CA -0.323 62.039 62.300 0.104 0.000 0.855 278 V CB 1.498 33.328 31.823 0.012 0.000 0.995 278 V HN 0.768 nan 8.190 nan 0.000 0.424 279 S N 4.814 120.613 115.700 0.165 0.000 2.648 279 S HA 0.835 5.306 4.470 0.001 0.000 0.305 279 S C -0.247 174.455 174.600 0.171 0.000 1.094 279 S CA -0.884 57.405 58.200 0.149 0.000 0.983 279 S CB 2.091 65.383 63.200 0.154 0.000 1.101 279 S HN 0.763 nan 8.310 nan 0.000 0.514 280 I N -1.861 118.800 120.570 0.151 0.000 3.211 280 I HA 0.525 4.695 4.170 0.001 0.000 0.297 280 I C -2.720 173.460 176.117 0.106 0.000 1.095 280 I CA -2.426 58.978 61.300 0.173 0.000 1.239 280 I CB -0.457 37.662 38.000 0.199 0.000 1.455 280 I HN 0.298 nan 8.210 nan 0.000 0.630 281 P HA 0.055 nan 4.420 nan 0.000 0.272 281 P C -0.940 176.105 177.300 -0.424 0.000 1.254 281 P CA -0.059 62.888 63.100 -0.256 0.000 0.795 281 P CB 0.232 31.654 31.700 -0.464 0.000 1.022 282 F N 1.492 121.051 119.950 -0.652 0.000 2.456 282 F HA 0.449 4.976 4.527 0.001 0.000 0.358 282 F C -0.879 174.335 175.800 -0.976 0.000 1.095 282 F CA 0.300 57.904 58.000 -0.659 0.000 1.216 282 F CB -0.163 38.488 39.000 -0.581 0.000 1.125 282 F HN 0.060 nan 8.300 nan 0.000 0.549 283 F N 3.794 123.058 119.950 -1.143 0.000 2.569 283 F HA 0.672 5.199 4.527 0.001 0.000 0.312 283 F C 0.253 175.291 175.800 -1.271 0.000 1.109 283 F CA -0.938 56.510 58.000 -0.920 0.000 0.919 283 F CB 1.869 40.588 39.000 -0.469 0.000 1.211 283 F HN 0.647 nan 8.300 nan 0.000 0.446 284 G N 1.486 109.868 108.800 -0.697 0.000 2.605 284 G HA2 0.612 4.573 3.960 0.001 0.000 0.296 284 G HA3 0.612 4.573 3.960 0.001 0.000 0.296 284 G C -2.709 172.113 174.900 -0.129 0.000 1.304 284 G CA -1.805 43.088 45.100 -0.346 0.000 0.941 284 G HN 0.300 nan 8.290 nan 0.000 0.475 285 P HA 0.035 nan 4.420 nan 0.000 0.220 285 P C -0.323 176.927 177.300 -0.083 0.000 1.152 285 P CA 0.729 63.692 63.100 -0.229 0.000 0.812 285 P CB 0.084 31.494 31.700 -0.482 0.000 0.792 286 Y N -0.487 119.920 120.300 0.178 0.000 2.327 286 Y HA 0.334 4.885 4.550 0.001 0.000 0.336 286 Y C 0.871 176.781 175.900 0.017 0.000 1.035 286 Y CA -0.699 57.359 58.100 -0.070 0.000 1.165 286 Y CB 0.240 38.460 38.460 -0.400 0.000 1.181 286 Y HN -0.353 nan 8.280 nan 0.000 0.494 287 T N 2.945 117.633 114.554 0.223 0.000 2.728 287 T HA 0.230 4.581 4.350 0.001 0.000 0.296 287 T C 0.193 174.915 174.700 0.036 0.000 0.940 287 T CA -0.767 61.493 62.100 0.266 0.000 1.013 287 T CB 0.096 69.260 68.868 0.493 0.000 0.912 287 T HN 0.716 nan 8.240 nan 0.000 0.484 288 T N 0.595 115.177 114.554 0.048 0.000 2.875 288 T HA 0.638 4.989 4.350 0.001 0.000 0.284 288 T C -0.293 174.425 174.700 0.030 0.000 0.995 288 T CA -0.750 61.360 62.100 0.017 0.000 1.060 288 T CB 0.876 69.769 68.868 0.042 0.000 0.967 288 T HN 0.254 nan 8.240 nan 0.000 0.476 289 V N 3.788 123.722 119.914 0.033 0.000 2.407 289 V HA 0.386 4.507 4.120 0.001 0.000 0.291 289 V C -0.114 175.998 176.094 0.031 0.000 1.018 289 V CA -1.158 61.155 62.300 0.022 0.000 0.842 289 V CB 0.838 32.663 31.823 0.005 0.000 0.996 289 V HN 1.035 nan 8.190 nan 0.000 0.426 290 N N 3.853 122.587 118.700 0.058 0.000 2.716 290 N HA -0.212 4.529 4.740 0.001 0.000 0.250 290 N C 1.185 176.719 175.510 0.039 0.000 1.033 290 N CA 1.724 54.805 53.050 0.051 0.000 0.727 290 N CB -1.078 37.422 38.487 0.022 0.000 0.950 290 N HN 1.596 nan 8.380 nan 0.000 0.541 291 G N -1.497 107.350 108.800 0.078 0.000 2.159 291 G HA2 -0.356 3.605 3.960 0.001 0.000 0.256 291 G HA3 -0.356 3.605 3.960 0.001 0.000 0.256 291 G C 0.031 174.943 174.900 0.020 0.000 0.977 291 G CA 0.539 45.675 45.100 0.059 0.000 0.652 291 G HN 0.600 nan 8.290 nan 0.000 0.531 292 R N -0.482 120.022 120.500 0.006 0.000 2.599 292 R HA 0.588 4.928 4.340 0.001 0.000 0.295 292 R C 0.305 176.589 176.300 -0.027 0.000 0.963 292 R CA -1.075 55.014 56.100 -0.017 0.000 0.883 292 R CB 1.585 31.866 30.300 -0.032 0.000 1.171 292 R HN 0.212 nan 8.270 nan 0.000 0.450 293 I N 3.497 124.018 120.570 -0.082 0.000 2.587 293 I HA -0.089 4.082 4.170 0.001 0.000 0.284 293 I C -0.039 176.076 176.117 -0.004 0.000 1.134 293 I CA 0.319 61.474 61.300 -0.243 0.000 1.410 293 I CB 0.146 37.872 38.000 -0.456 0.000 1.392 293 I HN 0.629 nan 8.210 nan 0.000 0.545 294 W N 5.543 126.899 121.300 0.093 0.000 6.199 294 W HA -0.145 4.515 4.660 0.001 0.000 0.416 294 W C -2.361 174.271 176.519 0.189 0.000 1.636 294 W CA -0.863 56.544 57.345 0.103 0.000 1.040 294 W CB -2.302 27.109 29.460 -0.082 0.000 2.854 294 W HN 0.328 nan 8.180 nan 0.000 1.467 295 P HA 0.394 nan 4.420 nan 0.000 0.281 295 P C -0.474 176.924 177.300 0.163 0.000 1.264 295 P CA -0.178 63.005 63.100 0.138 0.000 0.824 295 P CB 1.117 32.789 31.700 -0.046 0.000 1.092 296 Y N -1.274 119.052 120.300 0.043 0.000 2.457 296 Y HA 0.799 5.350 4.550 0.001 0.000 0.333 296 Y C -0.972 174.819 175.900 -0.180 0.000 1.119 296 Y CA -1.753 56.266 58.100 -0.136 0.000 1.143 296 Y CB 1.042 39.444 38.460 -0.097 0.000 1.230 296 Y HN 0.503 nan 8.280 nan 0.000 0.469 297 A N 2.695 125.444 122.820 -0.120 0.000 2.332 297 A HA 0.433 4.753 4.320 0.001 0.000 0.300 297 A C -1.441 176.146 177.584 0.006 0.000 1.153 297 A CA -0.882 51.083 52.037 -0.121 0.000 0.764 297 A CB 0.325 19.177 19.000 -0.246 0.000 1.174 297 A HN 0.767 nan 8.150 nan 0.000 0.467 298 D N 2.107 122.557 120.400 0.085 0.000 2.371 298 D HA 0.375 5.015 4.640 0.001 0.000 0.256 298 D C 0.467 176.754 176.300 -0.022 0.000 1.193 298 D CA 0.618 54.642 54.000 0.040 0.000 0.881 298 D CB 1.219 42.071 40.800 0.086 0.000 1.143 298 D HN 0.544 nan 8.370 nan 0.000 0.473 299 V N -0.323 119.513 119.914 -0.131 0.000 3.074 299 V HA 0.595 4.716 4.120 0.001 0.000 0.314 299 V C -0.198 175.852 176.094 -0.072 0.000 1.117 299 V CA -1.067 61.118 62.300 -0.190 0.000 1.014 299 V CB 2.493 33.897 31.823 -0.699 0.000 1.057 299 V HN 0.109 nan 8.190 nan 0.000 0.438 300 D N 1.441 121.946 120.400 0.175 0.000 2.340 300 D HA 0.305 4.946 4.640 0.001 0.000 0.251 300 D C -0.218 176.207 176.300 0.209 0.000 1.080 300 D CA -0.028 54.081 54.000 0.183 0.000 0.971 300 D CB 1.241 42.187 40.800 0.243 0.000 1.137 300 D HN 0.924 nan 8.370 nan 0.000 0.475 301 D N -0.029 120.454 120.400 0.138 0.000 2.885 301 D HA 0.199 4.840 4.640 0.001 0.000 0.234 301 D C 0.431 176.843 176.300 0.187 0.000 1.129 301 D CA -0.484 53.606 54.000 0.149 0.000 0.991 301 D CB -0.381 40.463 40.800 0.072 0.000 1.137 301 D HN 0.302 nan 8.370 nan 0.000 0.459 302 G N -0.722 108.260 108.800 0.303 0.000 3.176 302 G HA2 0.451 4.412 3.960 0.001 0.000 0.272 302 G HA3 0.451 4.412 3.960 0.001 0.000 0.272 302 G C -1.439 173.598 174.900 0.227 0.000 1.349 302 G CA -1.258 43.982 45.100 0.234 0.000 0.953 302 G HN 0.176 nan 8.290 nan 0.000 0.559 303 W N -0.007 121.327 121.300 0.057 0.000 2.266 303 W HA 0.576 5.236 4.660 0.001 0.000 0.317 303 W C -0.713 175.730 176.519 -0.126 0.000 1.310 303 W CA 0.246 57.551 57.345 -0.065 0.000 1.207 303 W CB 0.587 29.904 29.460 -0.239 0.000 1.199 303 W HN 0.263 nan 8.180 nan 0.000 0.544 304 Y N 1.474 121.792 120.300 0.030 0.000 2.587 304 Y HA 0.517 5.068 4.550 0.001 0.000 0.337 304 Y C 0.008 175.910 175.900 0.004 0.000 1.065 304 Y CA -1.845 56.277 58.100 0.037 0.000 1.126 304 Y CB 1.864 40.385 38.460 0.102 0.000 1.279 304 Y HN 0.271 nan 8.280 nan 0.000 0.489 305 R N 2.626 123.204 120.500 0.130 0.000 2.409 305 R HA 0.632 4.972 4.340 0.001 0.000 0.313 305 R C -2.211 174.169 176.300 0.134 0.000 0.953 305 R CA -0.437 55.712 56.100 0.081 0.000 0.849 305 R CB 0.518 30.815 30.300 -0.005 0.000 1.171 305 R HN 0.740 nan 8.270 nan 0.000 0.458 306 L N 5.109 126.413 121.223 0.135 0.000 2.296 306 L HA 0.566 4.907 4.340 0.001 0.000 0.286 306 L C 0.026 176.967 176.870 0.119 0.000 1.023 306 L CA -1.130 53.799 54.840 0.148 0.000 0.812 306 L CB 1.605 43.764 42.059 0.167 0.000 1.223 306 L HN 0.448 nan 8.230 nan 0.000 0.421 307 R N 3.921 124.484 120.500 0.104 0.000 2.369 307 R HA 0.362 4.703 4.340 0.001 0.000 0.310 307 R C -0.794 175.555 176.300 0.080 0.000 1.141 307 R CA -0.707 55.445 56.100 0.085 0.000 1.116 307 R CB 0.737 31.078 30.300 0.067 0.000 1.135 307 R HN 0.422 nan 8.270 nan 0.000 0.529 308 L N 2.763 124.050 121.223 0.108 0.000 2.265 308 L HA 0.355 4.696 4.340 0.001 0.000 0.288 308 L C -0.517 176.388 176.870 0.058 0.000 1.058 308 L CA -0.423 54.477 54.840 0.099 0.000 0.809 308 L CB 1.453 43.604 42.059 0.154 0.000 1.179 308 L HN 0.253 nan 8.230 nan 0.000 0.429 309 V N 5.929 125.798 119.914 -0.076 0.000 2.656 309 V HA 0.531 4.652 4.120 0.001 0.000 0.307 309 V C -0.817 175.083 176.094 -0.324 0.000 1.051 309 V CA -0.749 61.383 62.300 -0.280 0.000 0.893 309 V CB 2.006 33.483 31.823 -0.577 0.000 0.999 309 V HN 0.893 nan 8.190 nan 0.000 0.426 310 N N 5.175 123.667 118.700 -0.347 0.000 2.420 310 N HA 0.488 5.229 4.740 0.001 0.000 0.249 310 N C 0.258 175.451 175.510 -0.529 0.000 1.033 310 N CA 0.309 53.193 53.050 -0.278 0.000 0.944 310 N CB 1.696 40.145 38.487 -0.062 0.000 1.113 310 N HN 0.832 nan 8.380 nan 0.000 0.502 311 A N 2.479 125.006 122.820 -0.488 0.000 2.460 311 A HA 0.232 4.553 4.320 0.001 0.000 0.258 311 A C 0.459 177.875 177.584 -0.279 0.000 1.300 311 A CA -0.380 51.309 52.037 -0.580 0.000 0.913 311 A CB -0.162 18.479 19.000 -0.598 0.000 1.031 311 A HN 0.528 nan 8.150 nan 0.000 0.512 312 S N 0.825 116.449 115.700 -0.127 0.000 2.572 312 S HA 0.059 4.530 4.470 0.001 0.000 0.279 312 S C 1.145 175.746 174.600 0.001 0.000 1.341 312 S CA -0.348 57.850 58.200 -0.003 0.000 1.043 312 S CB 0.593 63.877 63.200 0.139 0.000 0.887 312 S HN 0.579 nan 8.310 nan 0.000 0.516 313 N N 1.856 120.552 118.700 -0.006 0.000 2.094 313 N HA -0.119 4.622 4.740 0.001 0.000 0.191 313 N C 1.107 176.580 175.510 -0.061 0.000 1.023 313 N CA 1.745 54.771 53.050 -0.041 0.000 0.857 313 N CB -0.091 38.364 38.487 -0.054 0.000 1.013 313 N HN 0.699 nan 8.380 nan 0.000 0.426 314 A N -1.492 121.262 122.820 -0.110 0.000 2.574 314 A HA 0.164 4.485 4.320 0.001 0.000 0.170 314 A C 0.563 178.130 177.584 -0.028 0.000 1.617 314 A CA -0.441 51.488 52.037 -0.181 0.000 1.189 314 A CB 0.138 18.827 19.000 -0.518 0.000 1.496 314 A HN 0.121 nan 8.150 nan 0.000 0.505 315 R N 0.934 121.435 120.500 0.002 0.000 2.442 315 R HA 0.428 4.769 4.340 0.001 0.000 0.291 315 R C -1.149 175.163 176.300 0.021 0.000 1.069 315 R CA -0.055 56.110 56.100 0.109 0.000 1.022 315 R CB 0.101 30.366 30.300 -0.059 0.000 0.976 315 R HN 0.307 nan 8.270 nan 0.000 0.443 316 I N 5.552 126.127 120.570 0.009 0.000 2.312 316 I HA 0.100 4.271 4.170 0.001 0.000 0.291 316 I C -0.519 175.544 176.117 -0.090 0.000 1.031 316 I CA -0.381 60.924 61.300 0.010 0.000 1.293 316 I CB 0.588 38.608 38.000 0.033 0.000 1.403 316 I HN 0.537 nan 8.210 nan 0.000 0.484 317 Y N 5.075 125.383 120.300 0.014 0.000 2.402 317 Y HA 0.137 4.688 4.550 0.002 0.000 0.333 317 Y C 0.338 176.219 175.900 -0.033 0.000 1.076 317 Y CA 0.036 58.132 58.100 -0.008 0.000 1.299 317 Y CB 0.316 38.766 38.460 -0.017 0.000 1.197 317 Y HN 0.502 nan 8.280 nan 0.000 0.517 318 N N 4.603 123.354 118.700 0.085 0.000 2.699 318 N HA 0.327 5.068 4.740 0.001 0.000 0.232 318 N C -1.331 174.206 175.510 0.045 0.000 1.027 318 N CA -0.345 52.733 53.050 0.045 0.000 0.920 318 N CB 0.532 39.026 38.487 0.011 0.000 1.148 318 N HN 0.410 nan 8.380 nan 0.000 0.509 319 L N 1.835 123.078 121.223 0.033 0.000 2.349 319 L HA 0.503 4.844 4.340 0.001 0.000 0.275 319 L C -0.267 176.552 176.870 -0.086 0.000 1.115 319 L CA -0.679 54.160 54.840 -0.003 0.000 0.820 319 L CB 0.767 42.815 42.059 -0.018 0.000 1.135 319 L HN 0.129 nan 8.230 nan 0.000 0.445 320 V N 3.923 123.672 119.914 -0.276 0.000 2.686 320 V HA 0.291 4.412 4.120 0.001 0.000 0.306 320 V C -0.475 175.208 176.094 -0.685 0.000 1.065 320 V CA -0.607 61.234 62.300 -0.765 0.000 0.894 320 V CB 2.200 33.741 31.823 -0.471 0.000 1.004 320 V HN 0.431 nan 8.190 nan 0.000 0.424 321 L N 7.011 127.593 121.223 -1.068 0.000 2.281 321 L HA 0.643 4.984 4.340 0.001 0.000 0.285 321 L C -0.233 176.434 176.870 -0.340 0.000 1.074 321 L CA 0.359 54.946 54.840 -0.421 0.000 0.817 321 L CB 0.495 42.472 42.059 -0.137 0.000 1.168 321 L HN 0.677 nan 8.230 nan 0.000 0.434 322 I N 1.131 121.596 120.570 -0.174 0.000 2.846 322 I HA 0.671 4.842 4.170 0.001 0.000 0.307 322 I C -0.739 175.344 176.117 -0.057 0.000 1.053 322 I CA -0.877 60.356 61.300 -0.112 0.000 1.050 322 I CB 2.041 39.980 38.000 -0.102 0.000 1.239 322 I HN 0.582 nan 8.210 nan 0.000 0.439 323 D N 2.369 122.743 120.400 -0.042 0.000 2.539 323 D HA 0.180 4.821 4.640 0.001 0.000 0.280 323 D C 0.509 176.788 176.300 -0.036 0.000 1.208 323 D CA -0.174 53.806 54.000 -0.033 0.000 1.088 323 D CB 0.503 41.290 40.800 -0.022 0.000 1.149 323 D HN 0.641 nan 8.370 nan 0.000 0.596 324 E N -1.109 119.070 120.200 -0.034 0.000 2.338 324 E HA -0.029 4.322 4.350 0.001 0.000 0.197 324 E C 0.195 176.781 176.600 -0.024 0.000 1.007 324 E CA 0.945 57.326 56.400 -0.032 0.000 0.849 324 E CB -0.061 29.619 29.700 -0.033 0.000 0.774 324 E HN 0.339 nan 8.360 nan 0.000 0.506 325 D N -0.200 120.186 120.400 -0.023 0.000 2.388 325 D HA 0.047 4.688 4.640 0.001 0.000 0.221 325 D C -0.491 175.795 176.300 -0.022 0.000 1.133 325 D CA 0.049 54.038 54.000 -0.020 0.000 0.831 325 D CB 0.354 41.144 40.800 -0.017 0.000 0.962 325 D HN -0.073 nan 8.370 nan 0.000 0.502 326 D N -0.133 120.251 120.400 -0.027 0.000 3.077 326 D HA -0.207 4.433 4.640 0.001 0.000 0.212 326 D C 0.348 176.625 176.300 -0.038 0.000 1.125 326 D CA 0.509 54.488 54.000 -0.034 0.000 0.970 326 D CB -0.984 39.798 40.800 -0.030 0.000 1.110 326 D HN 0.310 nan 8.370 nan 0.000 0.419 327 R N 0.895 121.377 120.500 -0.030 0.000 2.298 327 R HA 0.360 4.701 4.340 0.001 0.000 0.310 327 R C -2.488 173.795 176.300 -0.028 0.000 1.068 327 R CA -1.365 54.722 56.100 -0.023 0.000 0.957 327 R CB 0.830 31.123 30.300 -0.012 0.000 1.003 327 R HN -0.163 nan 8.270 nan 0.000 0.454 328 P HA -0.019 nan 4.420 nan 0.000 0.268 328 P C -0.922 176.416 177.300 0.063 0.000 1.205 328 P CA -0.140 62.949 63.100 -0.018 0.000 0.771 328 P CB 0.748 32.471 31.700 0.039 0.000 0.858 329 V N 5.601 125.579 119.914 0.107 0.000 2.318 329 V HA 0.262 4.383 4.120 0.001 0.000 0.271 329 V C -1.651 174.549 176.094 0.176 0.000 1.030 329 V CA -1.562 60.804 62.300 0.112 0.000 0.844 329 V CB 0.664 32.529 31.823 0.071 0.000 1.015 329 V HN 0.580 nan 8.190 nan 0.000 0.460 330 P HA 0.320 nan 4.420 nan 0.000 0.279 330 P C 0.779 178.040 177.300 -0.065 0.000 1.276 330 P CA 0.195 63.292 63.100 -0.004 0.000 0.801 330 P CB 1.004 32.698 31.700 -0.010 0.000 1.127 331 G N -0.915 107.805 108.800 -0.133 0.000 2.258 331 G HA2 -0.219 3.742 3.960 0.001 0.000 0.274 331 G HA3 -0.219 3.742 3.960 0.001 0.000 0.274 331 G C 0.433 175.226 174.900 -0.178 0.000 1.021 331 G CA 0.342 45.358 45.100 -0.141 0.000 0.798 331 G HN 0.436 nan 8.290 nan 0.000 0.507 332 V N -1.512 118.244 119.914 -0.264 0.000 3.251 332 V HA 0.211 4.332 4.120 0.001 0.000 0.239 332 V C 1.144 177.053 176.094 -0.308 0.000 1.332 332 V CA 1.026 63.174 62.300 -0.254 0.000 1.224 332 V CB 1.105 32.820 31.823 -0.180 0.000 1.004 332 V HN 0.221 nan 8.190 nan 0.000 0.464 333 V N 1.117 120.826 119.914 -0.342 0.000 2.481 333 V HA 0.506 4.627 4.120 0.001 0.000 0.286 333 V C -0.894 174.963 176.094 -0.395 0.000 1.042 333 V CA -0.414 61.743 62.300 -0.238 0.000 0.928 333 V CB 1.159 32.900 31.823 -0.137 0.000 0.986 333 V HN 0.560 nan 8.190 nan 0.000 0.462 334 H N 2.079 121.152 119.070 0.004 0.000 2.744 334 H HA 0.410 4.967 4.556 0.001 0.000 0.339 334 H C -0.413 174.948 175.328 0.055 0.000 1.004 334 H CA -0.408 55.665 56.048 0.041 0.000 1.257 334 H CB 1.349 31.192 29.762 0.136 0.000 1.552 334 H HN 0.657 nan 8.280 nan 0.000 0.522 335 Q N 3.225 123.104 119.800 0.132 0.000 2.286 335 Q HA 0.252 4.593 4.340 0.001 0.000 0.257 335 Q C 0.379 176.450 176.000 0.118 0.000 0.941 335 Q CA -0.184 55.701 55.803 0.137 0.000 0.912 335 Q CB 0.653 29.480 28.738 0.149 0.000 1.192 335 Q HN 0.893 nan 8.270 nan 0.000 0.410 336 I N 0.154 120.788 120.570 0.106 0.000 4.327 336 I HA 0.555 4.726 4.170 0.001 0.000 0.331 336 I C 0.452 176.597 176.117 0.048 0.000 1.348 336 I CA -0.398 60.943 61.300 0.069 0.000 1.152 336 I CB 1.178 39.221 38.000 0.073 0.000 1.151 336 I HN 0.459 nan 8.210 nan 0.000 0.410 337 G N 0.626 109.462 108.800 0.059 0.000 2.690 337 G HA2 0.673 4.634 3.960 0.001 0.000 0.293 337 G HA3 0.673 4.634 3.960 0.001 0.000 0.293 337 G C -1.109 173.803 174.900 0.020 0.000 1.399 337 G CA 0.063 45.192 45.100 0.047 0.000 0.890 337 G HN 0.297 nan 8.290 nan 0.000 0.485 338 S N -0.819 114.887 115.700 0.010 0.000 2.851 338 S HA 0.505 4.976 4.470 0.001 0.000 0.313 338 S C 0.392 174.986 174.600 -0.011 0.000 1.163 338 S CA -0.198 57.956 58.200 -0.076 0.000 0.850 338 S CB 1.380 64.553 63.200 -0.046 0.000 1.245 338 S HN 0.348 nan 8.310 nan 0.000 0.558 339 D N 1.487 121.868 120.400 -0.032 0.000 2.192 339 D HA -0.092 4.548 4.640 0.001 0.000 0.189 339 D C 1.561 177.986 176.300 0.208 0.000 1.007 339 D CA 2.259 56.303 54.000 0.073 0.000 0.859 339 D CB -0.913 39.939 40.800 0.088 0.000 0.936 339 D HN 0.797 nan 8.370 nan 0.000 0.447 340 G N -1.174 107.792 108.800 0.278 0.000 3.502 340 G HA2 0.492 4.453 3.960 0.001 0.000 0.267 340 G HA3 0.492 4.453 3.960 0.001 0.000 0.267 340 G C 0.580 175.689 174.900 0.348 0.000 1.090 340 G CA 0.419 45.739 45.100 0.367 0.000 0.795 340 G HN 0.657 nan 8.290 nan 0.000 0.535 341 G N -0.349 108.606 108.800 0.259 0.000 2.293 341 G HA2 0.012 3.973 3.960 0.001 0.000 0.282 341 G HA3 0.012 3.973 3.960 0.001 0.000 0.282 341 G C -0.618 174.394 174.900 0.188 0.000 1.299 341 G CA -1.067 44.156 45.100 0.205 0.000 1.018 341 G HN 0.401 nan 8.290 nan 0.000 0.478 342 L N 0.911 122.227 121.223 0.155 0.000 2.514 342 L HA 0.285 4.626 4.340 0.001 0.000 0.280 342 L C 1.129 178.034 176.870 0.059 0.000 1.223 342 L CA -0.209 54.688 54.840 0.095 0.000 0.864 342 L CB 0.122 42.227 42.059 0.077 0.000 1.118 342 L HN 0.417 nan 8.230 nan 0.000 0.494 343 L N 4.850 126.055 121.223 -0.030 0.000 2.466 343 L HA 0.150 4.491 4.340 0.001 0.000 0.257 343 L C -1.077 175.622 176.870 -0.285 0.000 1.189 343 L CA -1.422 53.310 54.840 -0.181 0.000 0.813 343 L CB 0.294 42.275 42.059 -0.129 0.000 1.118 343 L HN 0.491 nan 8.230 nan 0.000 0.471 344 P HA -0.064 nan 4.420 nan 0.000 0.217 344 P C -0.050 177.122 177.300 -0.213 0.000 1.151 344 P CA 1.364 64.180 63.100 -0.474 0.000 0.828 344 P CB 0.356 31.594 31.700 -0.770 0.000 0.788 345 R N -0.866 119.520 120.500 -0.190 0.000 2.795 345 R HA 0.520 4.861 4.340 0.001 0.000 0.275 345 R C -2.802 173.462 176.300 -0.060 0.000 0.981 345 R CA -2.513 53.529 56.100 -0.097 0.000 0.917 345 R CB 1.136 31.389 30.300 -0.080 0.000 1.202 345 R HN -0.111 nan 8.270 nan 0.000 0.469 346 P HA 0.108 nan 4.420 nan 0.000 0.275 346 P C -0.845 176.481 177.300 0.043 0.000 1.228 346 P CA -0.372 62.748 63.100 0.033 0.000 0.786 346 P CB 0.701 32.435 31.700 0.056 0.000 0.927 347 V N 4.943 124.894 119.914 0.061 0.000 2.349 347 V HA 0.284 4.405 4.120 0.001 0.000 0.284 347 V C -2.236 173.865 176.094 0.012 0.000 1.014 347 V CA -2.081 60.236 62.300 0.029 0.000 0.826 347 V CB 1.398 33.232 31.823 0.018 0.000 1.009 347 V HN 0.506 nan 8.190 nan 0.000 0.431 348 P HA 0.090 nan 4.420 nan 0.000 0.264 348 P C -0.595 176.565 177.300 -0.234 0.000 1.193 348 P CA 0.181 63.188 63.100 -0.155 0.000 0.763 348 P CB 0.565 32.195 31.700 -0.117 0.000 0.810 349 V N 3.883 123.569 119.914 -0.380 0.000 2.284 349 V HA 0.180 4.301 4.120 0.001 0.000 0.274 349 V C 0.340 175.896 176.094 -0.897 0.000 1.023 349 V CA 0.041 62.005 62.300 -0.559 0.000 0.808 349 V CB 1.085 32.608 31.823 -0.501 0.000 1.035 349 V HN 0.458 nan 8.190 nan 0.000 0.445 350 D N 3.358 123.348 120.400 -0.683 0.000 2.398 350 D HA 0.220 4.861 4.640 0.001 0.000 0.210 350 D C 0.773 176.875 176.300 -0.329 0.000 1.094 350 D CA -0.112 53.596 54.000 -0.487 0.000 0.839 350 D CB 0.254 40.914 40.800 -0.233 0.000 0.963 350 D HN 0.544 nan 8.370 nan 0.000 0.506 351 F N 1.266 121.186 119.950 -0.051 0.000 3.048 351 F HA -0.292 4.236 4.527 0.001 0.000 0.269 351 F C 0.992 176.773 175.800 -0.031 0.000 0.960 351 F CA 0.270 58.246 58.000 -0.039 0.000 0.909 351 F CB -1.627 37.349 39.000 -0.040 0.000 0.837 351 F HN 0.100 nan 8.300 nan 0.000 0.768 352 D N -1.121 119.306 120.400 0.045 0.000 2.818 352 D HA 0.133 4.774 4.640 0.001 0.000 0.250 352 D C 1.344 177.658 176.300 0.024 0.000 1.496 352 D CA 1.224 55.242 54.000 0.029 0.000 1.192 352 D CB -0.086 40.709 40.800 -0.007 0.000 0.963 352 D HN 0.126 nan 8.370 nan 0.000 0.259 353 D N -1.678 118.723 120.400 0.002 0.000 2.259 353 D HA 0.042 4.683 4.640 0.001 0.000 0.301 353 D C 1.780 178.079 176.300 -0.002 0.000 1.149 353 D CA 0.919 54.921 54.000 0.004 0.000 1.012 353 D CB 0.289 41.090 40.800 0.002 0.000 1.797 353 D HN 0.163 nan 8.370 nan 0.000 0.513 354 T N 0.902 115.448 114.554 -0.014 0.000 2.802 354 T HA -0.131 4.220 4.350 0.001 0.000 0.269 354 T C 0.848 175.536 174.700 -0.020 0.000 1.062 354 T CA 0.929 63.018 62.100 -0.018 0.000 1.133 354 T CB 0.334 69.185 68.868 -0.029 0.000 0.852 354 T HN -0.039 nan 8.240 nan 0.000 0.485 355 L N 1.225 122.430 121.223 -0.029 0.000 2.491 355 L HA 0.307 4.647 4.340 0.001 0.000 0.260 355 L C -2.241 174.629 176.870 -0.000 0.000 1.200 355 L CA -1.472 53.352 54.840 -0.028 0.000 0.882 355 L CB 1.763 43.777 42.059 -0.074 0.000 1.058 355 L HN -0.252 nan 8.230 nan 0.000 0.487 356 P HA -0.031 nan 4.420 nan 0.000 0.217 356 P C 0.346 177.773 177.300 0.211 0.000 1.151 356 P CA 1.226 64.392 63.100 0.109 0.000 0.828 356 P CB 0.325 32.064 31.700 0.065 0.000 0.788 357 V N -3.600 116.410 119.914 0.161 0.000 3.001 357 V HA 0.578 4.699 4.120 0.001 0.000 0.314 357 V C -0.649 175.534 176.094 0.149 0.000 1.099 357 V CA -1.682 60.732 62.300 0.190 0.000 0.989 357 V CB 1.947 33.819 31.823 0.082 0.000 1.040 357 V HN -0.182 nan 8.190 nan 0.000 0.434 358 L N 3.008 124.322 121.223 0.151 0.000 2.268 358 L HA 0.618 4.959 4.340 0.001 0.000 0.289 358 L C 0.435 177.240 176.870 -0.109 0.000 1.064 358 L CA 0.486 55.314 54.840 -0.020 0.000 0.824 358 L CB 0.955 42.970 42.059 -0.074 0.000 1.202 358 L HN 0.994 nan 8.230 nan 0.000 0.433 359 S N 4.709 120.370 115.700 -0.065 0.000 2.410 359 S HA 0.759 5.229 4.470 0.001 0.000 0.304 359 S C -0.120 174.487 174.600 0.012 0.000 1.095 359 S CA -0.354 57.842 58.200 -0.006 0.000 1.089 359 S CB 0.393 63.627 63.200 0.057 0.000 0.968 359 S HN 0.834 nan 8.310 nan 0.000 0.480 360 A N 4.737 127.546 122.820 -0.018 0.000 2.316 360 A HA 0.767 5.088 4.320 0.001 0.000 0.324 360 A C 0.495 178.194 177.584 0.193 0.000 1.375 360 A CA -0.550 51.565 52.037 0.130 0.000 0.882 360 A CB 0.167 19.127 19.000 -0.067 0.000 1.152 360 A HN 1.163 nan 8.150 nan 0.000 0.512 361 A N 3.936 126.878 122.820 0.203 0.000 2.346 361 A HA 0.680 5.001 4.320 0.001 0.000 0.252 361 A C -2.485 175.137 177.584 0.064 0.000 1.089 361 A CA -1.459 50.651 52.037 0.122 0.000 0.797 361 A CB -0.390 18.675 19.000 0.107 0.000 1.047 361 A HN 0.541 nan 8.150 nan 0.000 0.494 362 P HA 0.242 nan 4.420 nan 0.000 0.262 362 P C 0.523 177.689 177.300 -0.223 0.000 1.182 362 P CA 2.076 65.146 63.100 -0.050 0.000 0.761 362 P CB 0.884 32.630 31.700 0.078 0.000 0.795 363 A N 2.352 124.914 122.820 -0.430 0.000 3.526 363 A HA -0.229 4.092 4.320 0.001 0.000 0.254 363 A C 0.541 177.836 177.584 -0.481 0.000 1.109 363 A CA 0.622 52.315 52.037 -0.573 0.000 1.395 363 A CB -2.410 16.063 19.000 -0.878 0.000 1.057 363 A HN 0.559 nan 8.150 nan 0.000 0.901 364 E N -0.188 119.829 120.200 -0.305 0.000 2.383 364 E HA 0.455 4.805 4.350 0.001 0.000 0.264 364 E C 0.240 176.625 176.600 -0.358 0.000 1.050 364 E CA -0.204 56.024 56.400 -0.288 0.000 0.896 364 E CB 0.394 29.995 29.700 -0.164 0.000 0.982 364 E HN 0.497 nan 8.360 nan 0.000 0.424 365 R N 1.512 121.731 120.500 -0.469 0.000 2.711 365 R HA 0.481 4.822 4.340 0.001 0.000 0.284 365 R C -1.096 174.836 176.300 -0.613 0.000 0.968 365 R CA -0.503 55.383 56.100 -0.355 0.000 0.924 365 R CB 1.147 31.348 30.300 -0.166 0.000 1.162 365 R HN 0.348 nan 8.270 nan 0.000 0.465 366 F N 0.473 120.412 119.950 -0.019 0.000 2.539 366 F HA 0.221 4.749 4.527 0.001 0.000 0.328 366 F C -0.256 175.559 175.800 0.024 0.000 1.148 366 F CA -0.998 57.010 58.000 0.013 0.000 0.940 366 F CB 1.815 40.825 39.000 0.016 0.000 1.194 366 F HN 0.316 nan 8.300 nan 0.000 0.438 367 D N 4.835 125.325 120.400 0.150 0.000 2.347 367 D HA 0.387 5.027 4.640 0.001 0.000 0.235 367 D C -0.918 175.466 176.300 0.140 0.000 1.149 367 D CA 0.060 54.131 54.000 0.117 0.000 0.850 367 D CB 0.662 41.506 40.800 0.073 0.000 1.061 367 D HN 0.448 nan 8.370 nan 0.000 0.487 368 L N 4.260 125.566 121.223 0.139 0.000 2.313 368 L HA 0.415 4.756 4.340 0.001 0.000 0.283 368 L C 0.021 176.963 176.870 0.119 0.000 1.013 368 L CA -0.936 53.982 54.840 0.131 0.000 0.816 368 L CB 1.640 43.766 42.059 0.112 0.000 1.236 368 L HN 0.190 nan 8.230 nan 0.000 0.419 369 L N 4.418 125.739 121.223 0.163 0.000 2.312 369 L HA 0.534 4.875 4.340 0.001 0.000 0.281 369 L C -0.162 176.815 176.870 0.178 0.000 1.070 369 L CA -0.830 54.140 54.840 0.215 0.000 0.805 369 L CB 1.583 43.845 42.059 0.338 0.000 1.174 369 L HN 0.402 nan 8.230 nan 0.000 0.434 370 V N -1.094 118.813 119.914 -0.011 0.000 2.531 370 V HA 0.461 4.582 4.120 0.001 0.000 0.301 370 V C -0.870 174.791 176.094 -0.722 0.000 1.034 370 V CA -0.705 61.358 62.300 -0.396 0.000 0.865 370 V CB 1.923 33.340 31.823 -0.676 0.000 0.995 370 V HN 0.667 nan 8.190 nan 0.000 0.424 371 D N 3.814 123.701 120.400 -0.854 0.000 2.467 371 D HA 0.409 5.050 4.640 0.001 0.000 0.220 371 D C 0.070 175.935 176.300 -0.725 0.000 1.103 371 D CA -0.607 52.710 54.000 -1.139 0.000 0.886 371 D CB 0.697 40.712 40.800 -1.307 0.000 1.025 371 D HN 0.479 nan 8.370 nan 0.000 0.514 372 F N 1.909 121.650 119.950 -0.349 0.000 2.773 372 F HA 0.251 4.778 4.527 0.001 0.000 0.304 372 F C 2.162 177.864 175.800 -0.164 0.000 1.129 372 F CA -0.153 57.717 58.000 -0.218 0.000 1.378 372 F CB -0.122 38.785 39.000 -0.156 0.000 1.095 372 F HN 0.270 nan 8.300 nan 0.000 0.565 373 R N 0.389 120.841 120.500 -0.080 0.000 2.117 373 R HA -0.173 4.168 4.340 0.001 0.000 0.243 373 R C 2.108 178.411 176.300 0.005 0.000 1.143 373 R CA 1.469 57.554 56.100 -0.025 0.000 0.968 373 R CB -0.428 29.840 30.300 -0.054 0.000 0.863 373 R HN 0.258 nan 8.270 nan 0.000 0.444 374 A N -0.145 122.668 122.820 -0.012 0.000 2.275 374 A HA 0.125 4.446 4.320 0.001 0.000 0.212 374 A C 1.309 178.898 177.584 0.010 0.000 1.201 374 A CA 0.262 52.299 52.037 0.001 0.000 0.843 374 A CB 0.223 19.218 19.000 -0.008 0.000 0.873 374 A HN 0.166 nan 8.150 nan 0.000 0.492 375 L N -0.100 121.139 121.223 0.026 0.000 2.910 375 L HA 0.250 4.591 4.340 0.001 0.000 0.252 375 L C 1.281 178.137 176.870 -0.023 0.000 1.195 375 L CA -0.403 54.445 54.840 0.013 0.000 1.003 375 L CB 0.303 42.394 42.059 0.053 0.000 1.328 375 L HN 0.345 nan 8.230 nan 0.000 0.540 376 G N -0.333 108.461 108.800 -0.010 0.000 2.287 376 G HA2 0.270 4.231 3.960 0.001 0.000 0.235 376 G HA3 0.270 4.231 3.960 0.001 0.000 0.235 376 G C 1.184 176.064 174.900 -0.033 0.000 1.258 376 G CA 0.501 45.587 45.100 -0.022 0.000 0.884 376 G HN 0.478 nan 8.290 nan 0.000 0.518 377 G N 1.449 110.222 108.800 -0.046 0.000 2.189 377 G HA2 -0.278 3.683 3.960 0.001 0.000 0.267 377 G HA3 -0.278 3.683 3.960 0.001 0.000 0.267 377 G C 0.761 175.625 174.900 -0.060 0.000 0.975 377 G CA 0.713 45.784 45.100 -0.048 0.000 0.644 377 G HN 0.814 nan 8.290 nan 0.000 0.537 378 R N -0.287 120.169 120.500 -0.073 0.000 2.674 378 R HA 0.724 5.064 4.340 0.001 0.000 0.266 378 R C 0.162 176.399 176.300 -0.105 0.000 1.016 378 R CA -0.778 55.276 56.100 -0.076 0.000 1.062 378 R CB 0.776 31.041 30.300 -0.058 0.000 1.142 378 R HN 0.278 nan 8.270 nan 0.000 0.517 379 R N 0.970 121.413 120.500 -0.095 0.000 2.393 379 R HA 0.504 4.845 4.340 0.001 0.000 0.315 379 R C -0.615 175.630 176.300 -0.092 0.000 0.952 379 R CA -0.342 55.689 56.100 -0.116 0.000 0.842 379 R CB 1.220 31.442 30.300 -0.130 0.000 1.163 379 R HN 0.353 nan 8.270 nan 0.000 0.450 380 L N 2.707 123.889 121.223 -0.069 0.000 2.342 380 L HA 0.658 4.999 4.340 0.001 0.000 0.271 380 L C -0.079 176.789 176.870 -0.004 0.000 1.008 380 L CA -1.049 53.785 54.840 -0.010 0.000 0.818 380 L CB 2.126 44.219 42.059 0.057 0.000 1.296 380 L HN 0.403 nan 8.230 nan 0.000 0.427 381 R N 1.372 121.855 120.500 -0.027 0.000 2.599 381 R HA 0.585 4.925 4.340 0.001 0.000 0.295 381 R C -1.362 174.950 176.300 0.019 0.000 0.963 381 R CA -0.982 55.078 56.100 -0.065 0.000 0.883 381 R CB 2.211 32.446 30.300 -0.110 0.000 1.171 381 R HN 0.257 nan 8.270 nan 0.000 0.450 382 L N 3.803 125.063 121.223 0.062 0.000 2.290 382 L HA 0.396 4.737 4.340 0.001 0.000 0.284 382 L C -0.516 176.374 176.870 0.033 0.000 1.078 382 L CA -0.187 54.685 54.840 0.053 0.000 0.815 382 L CB 1.557 43.685 42.059 0.116 0.000 1.162 382 L HN 0.502 nan 8.230 nan 0.000 0.435 383 V N 0.530 120.440 119.914 -0.006 0.000 3.040 383 V HA 0.646 4.767 4.120 0.001 0.000 0.312 383 V C -0.764 175.359 176.094 0.048 0.000 1.115 383 V CA -1.036 61.280 62.300 0.028 0.000 0.998 383 V CB 2.016 33.832 31.823 -0.011 0.000 1.042 383 V HN 0.651 nan 8.190 nan 0.000 0.433 384 D N 2.022 122.493 120.400 0.119 0.000 2.277 384 D HA 0.276 4.917 4.640 0.001 0.000 0.249 384 D C -0.360 175.956 176.300 0.026 0.000 1.134 384 D CA -0.004 54.075 54.000 0.132 0.000 0.863 384 D CB 1.350 42.281 40.800 0.218 0.000 1.143 384 D HN 0.750 nan 8.370 nan 0.000 0.458 385 K N 2.786 123.183 120.400 -0.004 0.000 2.248 385 K HA 0.506 4.827 4.320 0.001 0.000 0.281 385 K C 0.148 176.720 176.600 -0.047 0.000 1.054 385 K CA -0.714 55.554 56.287 -0.032 0.000 0.903 385 K CB 0.967 33.447 32.500 -0.034 0.000 1.077 385 K HN 0.556 nan 8.250 nan 0.000 0.474 386 G N 3.902 112.666 108.800 -0.061 0.000 2.503 386 G HA2 0.136 4.097 3.960 0.001 0.000 0.257 386 G HA3 0.136 4.097 3.960 0.001 0.000 0.257 386 G C -1.451 173.408 174.900 -0.068 0.000 1.214 386 G CA -1.222 43.830 45.100 -0.080 0.000 0.839 386 G HN 0.484 nan 8.290 nan 0.000 0.559 387 P HA -0.084 nan 4.420 nan 0.000 0.219 387 P C 1.504 178.772 177.300 -0.054 0.000 1.146 387 P CA 1.579 64.643 63.100 -0.060 0.000 0.808 387 P CB 0.250 31.908 31.700 -0.070 0.000 0.779 388 G N -1.383 107.379 108.800 -0.063 0.000 2.986 388 G HA2 0.419 4.380 3.960 0.001 0.000 0.213 388 G HA3 0.419 4.380 3.960 0.001 0.000 0.213 388 G C 0.439 175.308 174.900 -0.051 0.000 1.156 388 G CA 0.578 45.644 45.100 -0.057 0.000 0.763 388 G HN 0.564 nan 8.290 nan 0.000 0.547 389 A N -0.372 122.417 122.820 -0.051 0.000 2.587 389 A HA 0.816 5.137 4.320 0.001 0.000 0.293 389 A C -3.013 174.546 177.584 -0.041 0.000 1.087 389 A CA -1.292 50.717 52.037 -0.046 0.000 0.692 389 A CB 1.239 20.207 19.000 -0.053 0.000 1.291 389 A HN -0.023 nan 8.150 nan 0.000 0.407 390 P HA 0.368 nan 4.420 nan 0.000 0.271 390 P C -0.060 177.215 177.300 -0.041 0.000 1.233 390 P CA 0.130 63.210 63.100 -0.034 0.000 0.789 390 P CB 0.472 32.154 31.700 -0.029 0.000 0.951 391 A N 1.457 124.249 122.820 -0.045 0.000 2.546 391 A HA 0.412 4.733 4.320 0.001 0.000 0.243 391 A C 1.496 179.048 177.584 -0.054 0.000 1.063 391 A CA 0.942 52.944 52.037 -0.059 0.000 0.757 391 A CB -1.493 17.454 19.000 -0.088 0.000 0.991 391 A HN 0.855 nan 8.150 nan 0.000 0.503 392 G N 1.795 110.565 108.800 -0.049 0.000 2.254 392 G HA2 -0.195 3.766 3.960 0.001 0.000 0.225 392 G HA3 -0.195 3.766 3.960 0.001 0.000 0.225 392 G C 0.470 175.347 174.900 -0.039 0.000 1.003 392 G CA 0.349 45.425 45.100 -0.039 0.000 0.622 392 G HN 1.204 nan 8.290 nan 0.000 0.507 393 T N 4.074 118.603 114.554 -0.042 0.000 2.771 393 T HA 0.538 4.889 4.350 0.001 0.000 0.291 393 T C -2.279 172.387 174.700 -0.057 0.000 0.954 393 T CA -0.703 61.370 62.100 -0.045 0.000 1.045 393 T CB 1.853 70.695 68.868 -0.042 0.000 0.917 393 T HN 0.078 nan 8.240 nan 0.000 0.484 394 P HA 0.084 nan 4.420 nan 0.000 0.262 394 P C -0.431 176.808 177.300 -0.102 0.000 1.182 394 P CA 0.135 63.178 63.100 -0.095 0.000 0.761 394 P CB 0.346 31.981 31.700 -0.108 0.000 0.795 395 D N 4.466 124.794 120.400 -0.119 0.000 2.607 395 D HA 0.157 4.798 4.640 0.001 0.000 0.318 395 D C -1.586 174.625 176.300 -0.148 0.000 1.212 395 D CA -2.192 51.737 54.000 -0.118 0.000 0.861 395 D CB 0.425 41.163 40.800 -0.103 0.000 1.064 395 D HN 0.109 nan 8.370 nan 0.000 0.500 396 P HA -0.139 nan 4.420 nan 0.000 0.217 396 P C 1.955 179.162 177.300 -0.155 0.000 1.150 396 P CA 0.408 63.397 63.100 -0.187 0.000 0.832 396 P CB 0.726 32.313 31.700 -0.187 0.000 0.787 397 L N -0.623 120.524 121.223 -0.127 0.000 2.079 397 L HA -0.094 4.247 4.340 0.001 0.000 0.210 397 L C 2.333 179.126 176.870 -0.128 0.000 1.081 397 L CA 2.004 56.777 54.840 -0.113 0.000 0.752 397 L CB -1.201 40.803 42.059 -0.090 0.000 0.896 397 L HN 0.093 nan 8.230 nan 0.000 0.433 398 G N -1.978 106.742 108.800 -0.134 0.000 3.233 398 G HA2 0.264 4.225 3.960 0.001 0.000 0.227 398 G HA3 0.264 4.225 3.960 0.001 0.000 0.227 398 G C 1.091 175.875 174.900 -0.192 0.000 1.175 398 G CA 0.418 45.429 45.100 -0.148 0.000 0.781 398 G HN 0.538 nan 8.290 nan 0.000 0.542 399 G N -1.150 107.525 108.800 -0.207 0.000 2.143 399 G HA2 -0.216 3.744 3.960 0.001 0.000 0.249 399 G HA3 -0.216 3.744 3.960 0.001 0.000 0.249 399 G C 0.145 174.915 174.900 -0.217 0.000 0.981 399 G CA 0.202 45.152 45.100 -0.249 0.000 0.665 399 G HN 0.953 nan 8.290 nan 0.000 0.528 400 V N 0.739 120.542 119.914 -0.185 0.000 2.384 400 V HA 0.361 4.482 4.120 0.001 0.000 0.257 400 V C 1.447 177.429 176.094 -0.187 0.000 0.969 400 V CA 0.260 62.470 62.300 -0.151 0.000 0.910 400 V CB 0.725 32.483 31.823 -0.109 0.000 1.150 400 V HN 0.419 nan 8.190 nan 0.000 0.481 401 R N 2.197 122.525 120.500 -0.287 0.000 2.091 401 R HA -0.066 4.275 4.340 0.001 0.000 0.238 401 R C -0.182 175.768 176.300 -0.583 0.000 1.136 401 R CA 1.601 57.392 56.100 -0.515 0.000 0.959 401 R CB 0.117 29.960 30.300 -0.762 0.000 0.856 401 R HN 0.576 nan 8.270 nan 0.000 0.437 402 Y N -0.490 119.787 120.300 -0.038 0.000 2.447 402 Y HA 0.330 4.881 4.550 0.002 0.000 0.325 402 Y C -1.854 174.014 175.900 -0.055 0.000 0.976 402 Y CA -2.763 55.299 58.100 -0.063 0.000 1.280 402 Y CB 1.969 40.465 38.460 0.060 0.000 1.104 402 Y HN 0.070 nan 8.280 nan 0.000 0.486 403 P HA -0.187 nan 4.420 nan 0.000 0.216 403 P C -0.004 177.316 177.300 0.033 0.000 1.150 403 P CA 1.276 64.389 63.100 0.021 0.000 0.837 403 P CB 0.164 31.852 31.700 -0.021 0.000 0.786 404 E N 0.050 120.168 120.200 -0.137 0.000 2.465 404 E HA -0.020 4.331 4.350 0.001 0.000 0.260 404 E C 0.608 177.266 176.600 0.096 0.000 0.980 404 E CA 0.254 56.557 56.400 -0.162 0.000 0.927 404 E CB 0.726 30.048 29.700 -0.629 0.000 0.934 404 E HN 0.013 nan 8.360 nan 0.000 0.459 405 V N 2.881 122.933 119.914 0.229 0.000 2.868 405 V HA 0.179 4.300 4.120 0.001 0.000 0.227 405 V C 0.867 177.163 176.094 0.336 0.000 1.136 405 V CA 1.404 63.874 62.300 0.283 0.000 1.206 405 V CB -0.193 31.693 31.823 0.105 0.000 0.997 405 V HN 0.864 nan 8.190 nan 0.000 0.505 406 M N -0.607 119.107 119.600 0.190 0.000 2.721 406 M HA 0.673 5.154 4.480 0.001 0.000 0.271 406 M C -1.202 174.905 176.300 -0.323 0.000 1.259 406 M CA -0.558 54.782 55.300 0.067 0.000 0.835 406 M CB 2.718 35.228 32.600 -0.151 0.000 1.689 406 M HN 0.126 nan 8.290 nan 0.000 0.470 407 E N 0.922 120.722 120.200 -0.667 0.000 2.212 407 E HA 0.642 4.993 4.350 0.001 0.000 0.268 407 E C -2.108 174.140 176.600 -0.587 0.000 0.902 407 E CA -0.654 55.270 56.400 -0.793 0.000 0.779 407 E CB 1.834 30.764 29.700 -1.284 0.000 1.172 407 E HN 0.603 nan 8.360 nan 0.000 0.409 408 F N 2.292 122.070 119.950 -0.286 0.000 2.458 408 F HA 0.464 4.992 4.527 0.001 0.000 0.336 408 F C 0.245 175.848 175.800 -0.329 0.000 1.114 408 F CA -0.791 57.026 58.000 -0.305 0.000 0.987 408 F CB 1.640 40.393 39.000 -0.411 0.000 1.130 408 F HN 0.274 nan 8.300 nan 0.000 0.458 409 R N 2.600 123.024 120.500 -0.125 0.000 2.272 409 R HA 0.499 4.840 4.340 0.001 0.000 0.323 409 R C -1.349 174.830 176.300 -0.201 0.000 1.002 409 R CA -0.623 55.381 56.100 -0.160 0.000 0.900 409 R CB 1.290 31.506 30.300 -0.140 0.000 1.151 409 R HN 0.387 nan 8.270 nan 0.000 0.507 410 V N 3.834 123.597 119.914 -0.253 0.000 2.432 410 V HA 0.235 4.355 4.120 0.001 0.000 0.271 410 V C 0.748 176.760 176.094 -0.137 0.000 1.046 410 V CA -0.509 61.624 62.300 -0.278 0.000 0.945 410 V CB 0.823 32.458 31.823 -0.314 0.000 0.992 410 V HN 0.590 nan 8.190 nan 0.000 0.471 411 R N 3.546 123.993 120.500 -0.089 0.000 2.357 411 R HA 0.257 4.598 4.340 0.001 0.000 0.296 411 R C -0.000 176.292 176.300 -0.014 0.000 1.052 411 R CA -0.473 55.604 56.100 -0.038 0.000 0.988 411 R CB 0.940 31.234 30.300 -0.011 0.000 1.025 411 R HN 0.880 nan 8.270 nan 0.000 0.469 412 E N 2.601 122.795 120.200 -0.010 0.000 2.129 412 E HA 0.106 4.456 4.350 0.001 0.000 0.283 412 E C -0.836 175.774 176.600 0.017 0.000 1.080 412 E CA -0.154 56.248 56.400 0.005 0.000 0.867 412 E CB 0.811 30.510 29.700 -0.001 0.000 1.056 412 E HN 0.485 nan 8.360 nan 0.000 0.404 413 T N 2.810 117.383 114.554 0.032 0.000 2.910 413 T HA 0.220 4.571 4.350 0.001 0.000 0.279 413 T C -0.022 174.698 174.700 0.034 0.000 0.989 413 T CA -0.708 61.414 62.100 0.036 0.000 0.968 413 T CB 1.111 70.009 68.868 0.050 0.000 1.135 413 T HN 0.544 nan 8.240 nan 0.000 0.562 414 C N 1.764 121.084 119.300 0.033 0.000 2.422 414 C HA 0.416 4.877 4.460 0.001 0.000 0.301 414 C C 0.763 175.776 174.990 0.038 0.000 1.444 414 C CA -0.435 58.602 59.018 0.031 0.000 1.771 414 C CB -1.919 25.835 27.740 0.024 0.000 2.834 414 C HN 0.738 nan 8.230 nan 0.000 0.545 415 E N 0.588 120.817 120.200 0.048 0.000 2.249 415 E HA 0.387 4.738 4.350 0.001 0.000 0.263 415 E C -0.539 176.101 176.600 0.068 0.000 0.950 415 E CA -0.501 55.932 56.400 0.055 0.000 0.827 415 E CB 1.015 30.751 29.700 0.059 0.000 1.220 415 E HN 0.165 nan 8.360 nan 0.000 0.411 416 E N 1.684 121.926 120.200 0.071 0.000 2.102 416 E HA 0.178 4.529 4.350 0.001 0.000 0.263 416 E C -1.425 175.240 176.600 0.109 0.000 0.894 416 E CA -0.401 56.049 56.400 0.083 0.000 0.746 416 E CB 1.004 30.742 29.700 0.063 0.000 1.129 416 E HN 0.298 nan 8.360 nan 0.000 0.416 417 D N 1.652 122.148 120.400 0.160 0.000 2.396 417 D HA 0.075 4.716 4.640 0.001 0.000 0.225 417 D C 0.280 176.721 176.300 0.235 0.000 1.121 417 D CA -0.133 54.005 54.000 0.229 0.000 0.853 417 D CB 0.722 41.746 40.800 0.373 0.000 1.043 417 D HN 0.209 nan 8.370 nan 0.000 0.500 418 S N 3.523 119.312 115.700 0.148 0.000 2.622 418 S HA 0.084 4.555 4.470 0.001 0.000 0.236 418 S C 0.647 175.263 174.600 0.026 0.000 0.956 418 S CA -0.786 57.468 58.200 0.090 0.000 0.971 418 S CB -0.573 62.650 63.200 0.038 0.000 0.782 418 S HN 0.350 nan 8.310 nan 0.000 0.468 419 F N 3.243 123.113 119.950 -0.133 0.000 2.629 419 F HA 0.373 4.900 4.527 0.001 0.000 0.377 419 F C 0.321 175.873 175.800 -0.413 0.000 1.101 419 F CA -0.545 57.231 58.000 -0.372 0.000 1.301 419 F CB 0.060 38.614 39.000 -0.744 0.000 1.062 419 F HN 0.321 nan 8.300 nan 0.000 0.583 420 A N 7.129 129.137 122.820 -1.353 0.000 2.303 420 A HA 0.613 4.934 4.320 0.001 0.000 0.320 420 A C -1.658 175.103 177.584 -1.372 0.000 1.192 420 A CA -0.769 50.650 52.037 -1.030 0.000 0.821 420 A CB 1.109 19.792 19.000 -0.529 0.000 1.188 420 A HN 0.819 nan 8.150 nan 0.000 0.492 421 L N 5.308 125.993 121.223 -0.897 0.000 2.283 421 L HA 0.543 4.884 4.340 0.001 0.000 0.281 421 L C -2.041 174.639 176.870 -0.316 0.000 1.033 421 L CA -1.695 52.782 54.840 -0.605 0.000 0.848 421 L CB 0.757 42.541 42.059 -0.459 0.000 1.226 421 L HN 0.533 nan 8.230 nan 0.000 0.429 422 P HA 0.170 nan 4.420 nan 0.000 0.271 422 P C 0.233 177.471 177.300 -0.102 0.000 1.218 422 P CA -0.241 62.764 63.100 -0.158 0.000 0.780 422 P CB 0.866 32.486 31.700 -0.133 0.000 0.901 423 E N 0.186 120.341 120.200 -0.075 0.000 2.118 423 E HA -0.052 4.299 4.350 0.001 0.000 0.195 423 E C 0.368 176.942 176.600 -0.044 0.000 0.992 423 E CA 1.139 57.510 56.400 -0.047 0.000 0.804 423 E CB -0.074 29.604 29.700 -0.036 0.000 0.741 423 E HN 0.257 nan 8.360 nan 0.000 0.458 424 V N 1.638 121.524 119.914 -0.046 0.000 2.513 424 V HA 0.077 4.197 4.120 0.001 0.000 0.299 424 V C 0.685 176.752 176.094 -0.044 0.000 1.035 424 V CA -0.243 62.033 62.300 -0.041 0.000 0.889 424 V CB 1.900 33.708 31.823 -0.026 0.000 0.988 424 V HN 0.034 nan 8.190 nan 0.000 0.440 425 L N 3.713 124.911 121.223 -0.042 0.000 2.349 425 L HA 0.431 4.772 4.340 0.001 0.000 0.200 425 L C 1.131 177.995 176.870 -0.009 0.000 1.064 425 L CA 1.261 56.080 54.840 -0.034 0.000 0.821 425 L CB 0.623 42.660 42.059 -0.035 0.000 1.027 425 L HN 0.640 nan 8.230 nan 0.000 0.476 426 S N -1.083 114.622 115.700 0.008 0.000 2.449 426 S HA 0.534 5.005 4.470 0.001 0.000 0.310 426 S C 0.953 175.600 174.600 0.078 0.000 1.096 426 S CA -0.200 58.034 58.200 0.057 0.000 1.095 426 S CB 1.450 64.716 63.200 0.110 0.000 1.007 426 S HN 0.368 nan 8.310 nan 0.000 0.474 427 G N 2.296 111.134 108.800 0.064 0.000 2.453 427 G HA2 -0.086 3.874 3.960 0.001 0.000 0.215 427 G HA3 -0.086 3.874 3.960 0.001 0.000 0.215 427 G C 1.509 176.460 174.900 0.085 0.000 1.147 427 G CA 0.751 45.889 45.100 0.063 0.000 0.802 427 G HN 0.906 nan 8.290 nan 0.000 0.535 428 S N -0.129 115.627 115.700 0.094 0.000 2.453 428 S HA 0.120 4.591 4.470 0.001 0.000 0.231 428 S C 0.923 175.584 174.600 0.101 0.000 1.005 428 S CA -0.420 57.825 58.200 0.076 0.000 0.949 428 S CB -0.400 62.836 63.200 0.059 0.000 0.774 428 S HN 0.192 nan 8.310 nan 0.000 0.510 429 F N 4.121 124.095 119.950 0.039 0.000 2.578 429 F HA 0.375 4.902 4.527 0.001 0.000 0.381 429 F C 0.417 176.227 175.800 0.017 0.000 1.069 429 F CA -0.319 57.707 58.000 0.042 0.000 1.231 429 F CB 0.433 39.430 39.000 -0.005 0.000 1.086 429 F HN -0.048 nan 8.300 nan 0.000 0.564 430 R N 5.263 125.255 120.500 -0.848 0.000 2.451 430 R HA 0.246 4.586 4.340 0.001 0.000 0.307 430 R C -0.743 175.086 176.300 -0.785 0.000 0.965 430 R CA -1.299 54.485 56.100 -0.526 0.000 0.865 430 R CB 1.462 31.606 30.300 -0.259 0.000 1.174 430 R HN 0.653 nan 8.270 nan 0.000 0.455 431 R N 2.605 122.883 120.500 -0.370 0.000 2.502 431 R HA 0.033 4.374 4.340 0.001 0.000 0.292 431 R C 0.336 176.562 176.300 -0.123 0.000 0.998 431 R CA 0.341 56.369 56.100 -0.120 0.000 1.056 431 R CB 0.332 30.679 30.300 0.078 0.000 0.939 431 R HN 0.420 nan 8.270 nan 0.000 0.411 432 M N 3.021 122.566 119.600 -0.091 0.000 2.327 432 M HA -0.032 4.449 4.480 0.001 0.000 0.353 432 M C 0.184 176.471 176.300 -0.021 0.000 1.539 432 M CA 0.809 56.080 55.300 -0.048 0.000 1.039 432 M CB 0.604 33.195 32.600 -0.015 0.000 1.967 432 M HN 0.577 nan 8.290 nan 0.000 0.459 433 S N 2.612 118.288 115.700 -0.040 0.000 2.457 433 S HA 0.142 4.613 4.470 0.001 0.000 0.289 433 S C 1.269 175.872 174.600 0.005 0.000 1.163 433 S CA -0.506 57.691 58.200 -0.006 0.000 1.078 433 S CB 0.426 63.615 63.200 -0.018 0.000 0.987 433 S HN 0.770 nan 8.310 nan 0.000 0.482 434 H N 3.302 122.347 119.070 -0.042 0.000 2.492 434 H HA -0.112 4.445 4.556 0.001 0.000 0.296 434 H C 0.470 175.859 175.328 0.101 0.000 1.095 434 H CA 1.797 57.836 56.048 -0.014 0.000 1.281 434 H CB 0.329 30.109 29.762 0.031 0.000 1.374 434 H HN 0.670 nan 8.280 nan 0.000 0.545 435 D N 0.558 120.981 120.400 0.037 0.000 2.310 435 D HA -0.029 4.612 4.640 0.001 0.000 0.212 435 D C 0.901 177.171 176.300 -0.050 0.000 0.965 435 D CA 0.289 54.284 54.000 -0.008 0.000 0.879 435 D CB 0.086 40.891 40.800 0.008 0.000 0.921 435 D HN 0.395 nan 8.370 nan 0.000 0.510 436 I N 2.955 123.480 120.570 -0.076 0.000 2.668 436 I HA 0.001 4.172 4.170 0.001 0.000 0.285 436 I C -2.021 174.070 176.117 -0.044 0.000 1.168 436 I CA -1.456 59.759 61.300 -0.142 0.000 1.424 436 I CB 0.211 38.001 38.000 -0.350 0.000 1.377 436 I HN -0.293 nan 8.210 nan 0.000 0.560 437 P HA 0.030 nan 4.420 nan 0.000 0.264 437 P C -0.853 176.421 177.300 -0.044 0.000 1.193 437 P CA 0.622 63.650 63.100 -0.120 0.000 0.763 437 P CB 0.297 31.947 31.700 -0.084 0.000 0.810 438 H N 0.278 119.289 119.070 -0.098 0.000 3.046 438 H HA 0.563 5.119 4.556 0.001 0.000 0.361 438 H C -0.223 175.038 175.328 -0.111 0.000 1.235 438 H CA -1.144 54.858 56.048 -0.077 0.000 1.146 438 H CB 0.753 30.438 29.762 -0.128 0.000 1.859 438 H HN 0.491 nan 8.280 nan 0.000 0.548 439 G N 0.317 109.127 108.800 0.016 0.000 2.621 439 G HA2 0.375 4.335 3.960 0.001 0.000 0.271 439 G HA3 0.375 4.335 3.960 0.001 0.000 0.271 439 G C -1.090 173.738 174.900 -0.120 0.000 1.236 439 G CA -0.337 44.757 45.100 -0.011 0.000 0.958 439 G HN 0.701 nan 8.290 nan 0.000 0.512 440 H N -0.822 118.263 119.070 0.025 0.000 2.679 440 H HA 0.575 5.132 4.556 0.001 0.000 0.360 440 H C -0.241 174.940 175.328 -0.245 0.000 1.105 440 H CA -0.742 55.303 56.048 -0.004 0.000 1.196 440 H CB 1.830 31.612 29.762 0.034 0.000 1.636 440 H HN 0.246 nan 8.280 nan 0.000 0.531 441 R N 1.940 122.254 120.500 -0.310 0.000 2.670 441 R HA 0.426 4.767 4.340 0.001 0.000 0.289 441 R C -1.339 174.700 176.300 -0.435 0.000 0.965 441 R CA -1.217 54.476 56.100 -0.678 0.000 0.899 441 R CB 2.572 31.873 30.300 -1.665 0.000 1.173 441 R HN 0.434 nan 8.270 nan 0.000 0.456 442 L N 3.593 124.615 121.223 -0.335 0.000 2.305 442 L HA 0.516 4.857 4.340 0.001 0.000 0.284 442 L C -1.019 175.736 176.870 -0.191 0.000 1.013 442 L CA -0.348 54.318 54.840 -0.290 0.000 0.819 442 L CB 1.073 42.903 42.059 -0.381 0.000 1.227 442 L HN 0.452 nan 8.230 nan 0.000 0.417 443 I N 6.717 127.175 120.570 -0.187 0.000 2.411 443 I HA 0.341 4.512 4.170 0.001 0.000 0.284 443 I C -0.380 175.766 176.117 0.047 0.000 1.012 443 I CA -0.618 60.685 61.300 0.004 0.000 1.119 443 I CB 1.545 39.572 38.000 0.044 0.000 1.261 443 I HN 0.246 nan 8.210 nan 0.000 0.448 444 V N 7.169 127.115 119.914 0.053 0.000 2.481 444 V HA 0.406 4.527 4.120 0.001 0.000 0.286 444 V C 0.264 176.313 176.094 -0.076 0.000 1.042 444 V CA -0.541 61.727 62.300 -0.054 0.000 0.928 444 V CB 2.134 33.889 31.823 -0.114 0.000 0.986 444 V HN 0.432 nan 8.190 nan 0.000 0.462 445 L N 5.403 126.537 121.223 -0.148 0.000 2.280 445 L HA 0.496 4.837 4.340 0.001 0.000 0.287 445 L C 0.481 177.135 176.870 -0.360 0.000 1.023 445 L CA -0.393 54.316 54.840 -0.218 0.000 0.819 445 L CB 1.552 43.537 42.059 -0.123 0.000 1.212 445 L HN 0.736 nan 8.230 nan 0.000 0.420 446 T N 0.588 114.849 114.554 -0.488 0.000 2.922 446 T HA 0.527 4.878 4.350 0.001 0.000 0.285 446 T C -2.501 172.049 174.700 -0.251 0.000 1.005 446 T CA -2.094 59.666 62.100 -0.566 0.000 1.061 446 T CB 1.404 69.782 68.868 -0.817 0.000 1.007 446 T HN 0.233 nan 8.240 nan 0.000 0.502 447 P HA 0.237 nan 4.420 nan 0.000 0.272 447 P C -2.090 175.218 177.300 0.013 0.000 1.223 447 P CA -1.661 61.432 63.100 -0.012 0.000 0.784 447 P CB -0.063 31.665 31.700 0.047 0.000 0.923 448 P HA -0.099 nan 4.420 nan 0.000 0.216 448 P C 1.364 178.681 177.300 0.028 0.000 1.150 448 P CA 1.820 64.937 63.100 0.029 0.000 0.837 448 P CB -0.400 31.321 31.700 0.035 0.000 0.786 449 G N -1.191 107.632 108.800 0.038 0.000 3.210 449 G HA2 -0.018 3.943 3.960 0.001 0.000 0.220 449 G HA3 -0.018 3.943 3.960 0.001 0.000 0.220 449 G C 0.186 175.122 174.900 0.060 0.000 1.200 449 G CA 0.054 45.175 45.100 0.034 0.000 0.834 449 G HN 0.165 nan 8.290 nan 0.000 0.524 450 T N 0.796 115.409 114.554 0.098 0.000 2.916 450 T HA 0.178 4.529 4.350 0.001 0.000 0.303 450 T C 0.654 175.452 174.700 0.163 0.000 1.025 450 T CA -0.172 62.020 62.100 0.154 0.000 1.142 450 T CB 1.136 70.140 68.868 0.227 0.000 0.947 450 T HN 0.438 nan 8.240 nan 0.000 0.544 451 K N 2.133 122.616 120.400 0.138 0.000 2.504 451 K HA 0.157 4.478 4.320 0.001 0.000 0.278 451 K C 1.248 177.946 176.600 0.163 0.000 1.025 451 K CA 1.106 57.463 56.287 0.117 0.000 1.093 451 K CB -0.505 32.043 32.500 0.080 0.000 0.873 451 K HN 0.845 nan 8.250 nan 0.000 0.483 452 G N 2.332 111.201 108.800 0.114 0.000 2.157 452 G HA2 -0.304 3.657 3.960 0.001 0.000 0.248 452 G HA3 -0.304 3.657 3.960 0.001 0.000 0.248 452 G C 0.517 175.500 174.900 0.139 0.000 0.979 452 G CA 0.551 45.717 45.100 0.110 0.000 0.650 452 G HN 0.924 nan 8.290 nan 0.000 0.529 453 S N -0.673 115.117 115.700 0.150 0.000 2.523 453 S HA 0.448 4.919 4.470 0.001 0.000 0.217 453 S C 2.049 176.726 174.600 0.129 0.000 0.996 453 S CA 1.242 59.547 58.200 0.176 0.000 0.921 453 S CB 0.497 63.816 63.200 0.199 0.000 0.829 453 S HN 2.249 nan 8.310 nan 0.000 0.495 454 G N 1.156 109.990 108.800 0.056 0.000 2.225 454 G HA2 0.052 4.013 3.960 0.001 0.000 0.267 454 G HA3 0.052 4.013 3.960 0.001 0.000 0.267 454 G C 1.101 175.843 174.900 -0.263 0.000 1.024 454 G CA 0.375 45.456 45.100 -0.031 0.000 0.784 454 G HN 1.898 nan 8.290 nan 0.000 0.507 455 G N -1.708 106.984 108.800 -0.179 0.000 2.143 455 G HA2 -0.222 3.738 3.960 0.001 0.000 0.249 455 G HA3 -0.222 3.738 3.960 0.001 0.000 0.249 455 G C 0.077 174.806 174.900 -0.285 0.000 0.981 455 G CA 0.686 45.653 45.100 -0.222 0.000 0.665 455 G HN 1.351 nan 8.290 nan 0.000 0.528 456 H N 0.708 119.810 119.070 0.054 0.000 2.457 456 H HA 0.432 4.989 4.556 0.001 0.000 0.335 456 H C -2.199 173.122 175.328 -0.011 0.000 1.115 456 H CA -1.737 54.325 56.048 0.024 0.000 1.219 456 H CB 1.813 31.597 29.762 0.036 0.000 1.471 456 H HN 0.168 nan 8.280 nan 0.000 0.491 457 P HA 0.070 nan 4.420 nan 0.000 0.269 457 P C -0.343 176.919 177.300 -0.064 0.000 1.215 457 P CA 0.087 63.147 63.100 -0.067 0.000 0.780 457 P CB 1.547 33.160 31.700 -0.145 0.000 0.898 458 E N 0.404 120.546 120.200 -0.096 0.000 2.393 458 E HA 0.471 4.822 4.350 0.001 0.000 0.273 458 E C -0.540 176.035 176.600 -0.041 0.000 0.918 458 E CA -0.990 55.415 56.400 0.009 0.000 0.773 458 E CB 1.814 31.655 29.700 0.234 0.000 1.275 458 E HN 0.350 nan 8.360 nan 0.000 0.451 459 I N 1.818 122.437 120.570 0.081 0.000 2.371 459 I HA 0.166 4.337 4.170 0.001 0.000 0.290 459 I C -0.814 175.530 176.117 0.379 0.000 1.028 459 I CA -0.148 61.244 61.300 0.154 0.000 1.345 459 I CB 0.438 38.517 38.000 0.131 0.000 1.407 459 I HN 0.242 nan 8.210 nan 0.000 0.501 460 W N 5.318 126.636 121.300 0.032 0.000 2.471 460 W HA 0.421 5.082 4.660 0.001 0.000 0.318 460 W C -0.001 176.543 176.519 0.041 0.000 1.034 460 W CA -1.001 56.360 57.345 0.028 0.000 1.224 460 W CB 0.736 30.209 29.460 0.021 0.000 1.335 460 W HN 0.406 nan 8.180 nan 0.000 0.452 461 E N 3.088 123.412 120.200 0.208 0.000 2.331 461 E HA 0.373 4.723 4.350 0.001 0.000 0.272 461 E C -0.091 176.595 176.600 0.143 0.000 1.036 461 E CA -0.240 56.253 56.400 0.155 0.000 0.864 461 E CB 0.869 30.583 29.700 0.024 0.000 1.035 461 E HN 0.049 nan 8.360 nan 0.000 0.408 462 M N 1.825 121.505 119.600 0.132 0.000 2.326 462 M HA 0.467 4.948 4.480 0.001 0.000 0.306 462 M C -0.699 175.683 176.300 0.137 0.000 1.054 462 M CA -0.885 54.488 55.300 0.121 0.000 0.922 462 M CB 1.514 34.140 32.600 0.044 0.000 1.632 462 M HN 0.484 nan 8.290 nan 0.000 0.436 463 A N 2.129 125.049 122.820 0.167 0.000 2.324 463 A HA 0.606 4.927 4.320 0.001 0.000 0.330 463 A C -0.229 177.500 177.584 0.243 0.000 1.165 463 A CA -0.617 51.519 52.037 0.166 0.000 0.813 463 A CB 0.808 19.865 19.000 0.096 0.000 1.197 463 A HN 0.848 nan 8.150 nan 0.000 0.484 464 E N 1.646 121.979 120.200 0.222 0.000 2.354 464 E HA 0.426 4.777 4.350 0.001 0.000 0.269 464 E C -0.777 175.797 176.600 -0.043 0.000 1.036 464 E CA -0.321 56.096 56.400 0.027 0.000 0.876 464 E CB 0.753 30.444 29.700 -0.015 0.000 1.009 464 E HN 0.394 nan 8.360 nan 0.000 0.416 465 V N 3.480 123.324 119.914 -0.118 0.000 2.834 465 V HA 0.409 4.529 4.120 0.001 0.000 0.313 465 V C -0.202 175.844 176.094 -0.080 0.000 1.060 465 V CA -0.547 61.712 62.300 -0.070 0.000 0.989 465 V CB 1.695 33.488 31.823 -0.051 0.000 1.041 465 V HN 0.829 nan 8.190 nan 0.000 0.459 473 V N 3.488 123.411 119.914 0.015 0.000 2.577 473 V HA 0.489 4.609 4.120 0.001 0.000 0.303 473 V C -2.276 173.829 176.094 0.018 0.000 1.042 473 V CA -1.114 61.199 62.300 0.022 0.000 0.872 473 V CB 1.716 33.554 31.823 0.026 0.000 0.998 473 V HN 0.306 nan 8.190 nan 0.000 0.423 474 P HA 0.811 nan 4.420 nan 0.000 0.284 474 P C -0.998 176.314 177.300 0.019 0.000 1.253 474 P CA -0.278 62.835 63.100 0.022 0.000 0.800 474 P CB 1.931 33.639 31.700 0.012 0.000 0.961 475 A N 1.069 123.906 122.820 0.030 0.000 2.574 475 A HA 0.384 4.705 4.320 0.001 0.000 0.297 475 A C -0.513 177.094 177.584 0.039 0.000 1.062 475 A CA -0.809 51.243 52.037 0.026 0.000 0.686 475 A CB 1.114 20.128 19.000 0.022 0.000 1.285 475 A HN 0.651 nan 8.150 nan 0.000 0.403 476 E N 0.569 120.783 120.200 0.024 0.000 2.480 476 E HA 0.358 4.708 4.350 0.001 0.000 0.258 476 E C 1.230 177.844 176.600 0.025 0.000 0.984 476 E CA 1.415 57.834 56.400 0.031 0.000 0.930 476 E CB 0.131 29.835 29.700 0.007 0.000 0.936 476 E HN 1.990 nan 8.360 nan 0.000 0.466 477 G N 2.768 111.612 108.800 0.073 0.000 2.159 477 G HA2 -0.246 3.715 3.960 0.001 0.000 0.256 477 G HA3 -0.246 3.715 3.960 0.001 0.000 0.256 477 G C -0.055 174.923 174.900 0.129 0.000 0.977 477 G CA 0.143 45.234 45.100 -0.014 0.000 0.652 477 G HN 0.502 nan 8.290 nan 0.000 0.531 478 V N 1.447 121.465 119.914 0.174 0.000 2.435 478 V HA 0.749 4.870 4.120 0.001 0.000 0.290 478 V C 0.404 176.649 176.094 0.252 0.000 1.030 478 V CA -0.569 61.839 62.300 0.180 0.000 0.881 478 V CB 1.764 33.648 31.823 0.103 0.000 0.983 478 V HN 0.302 nan 8.190 nan 0.000 0.445 479 I N 4.236 124.974 120.570 0.280 0.000 2.569 479 I HA 0.453 4.623 4.170 0.001 0.000 0.290 479 I C -0.564 175.721 176.117 0.279 0.000 1.088 479 I CA -0.539 60.946 61.300 0.308 0.000 1.047 479 I CB 2.367 40.568 38.000 0.334 0.000 1.237 479 I HN 0.547 nan 8.210 nan 0.000 0.421 480 Q N 4.596 124.528 119.800 0.220 0.000 2.309 480 Q HA 0.690 5.031 4.340 0.001 0.000 0.264 480 Q C -1.325 174.793 176.000 0.196 0.000 1.008 480 Q CA -0.870 55.041 55.803 0.180 0.000 0.853 480 Q CB 3.453 32.257 28.738 0.111 0.000 1.314 480 Q HN 0.376 nan 8.270 nan 0.000 0.448 481 V N 1.855 121.901 119.914 0.220 0.000 2.443 481 V HA 0.230 4.351 4.120 0.001 0.000 0.293 481 V C -0.381 175.827 176.094 0.190 0.000 1.021 481 V CA -0.710 61.723 62.300 0.222 0.000 0.848 481 V CB 1.891 33.869 31.823 0.259 0.000 0.998 481 V HN 0.776 nan 8.190 nan 0.000 0.424 482 T N 4.934 119.592 114.554 0.173 0.000 2.776 482 T HA 0.375 4.726 4.350 0.001 0.000 0.292 482 T C 0.859 175.651 174.700 0.154 0.000 0.921 482 T CA 0.244 62.424 62.100 0.134 0.000 1.038 482 T CB 0.633 69.562 68.868 0.102 0.000 0.910 482 T HN 0.898 nan 8.240 nan 0.000 0.536 483 G N 1.725 110.608 108.800 0.137 0.000 2.631 483 G HA2 0.409 4.370 3.960 0.001 0.000 0.271 483 G HA3 0.409 4.370 3.960 0.001 0.000 0.271 483 G C 1.279 176.213 174.900 0.057 0.000 1.302 483 G CA -0.186 44.987 45.100 0.122 0.000 1.002 483 G HN 0.730 nan 8.290 nan 0.000 0.519 484 A N -0.439 122.400 122.820 0.031 0.000 2.019 484 A HA -0.026 4.295 4.320 0.001 0.000 0.219 484 A C 1.741 179.328 177.584 0.006 0.000 1.164 484 A CA 2.065 54.100 52.037 -0.003 0.000 0.644 484 A CB -0.317 18.676 19.000 -0.012 0.000 0.805 484 A HN 0.611 nan 8.150 nan 0.000 0.449 485 D N -2.125 118.286 120.400 0.019 0.000 2.336 485 D HA 0.304 4.945 4.640 0.001 0.000 0.228 485 D C 1.153 177.464 176.300 0.019 0.000 1.120 485 D CA 0.664 54.675 54.000 0.017 0.000 0.839 485 D CB -0.665 40.147 40.800 0.020 0.000 0.932 485 D HN 0.613 nan 8.370 nan 0.000 0.509 486 G N 0.740 109.554 108.800 0.023 0.000 2.245 486 G HA2 -0.404 3.557 3.960 0.001 0.000 0.264 486 G HA3 -0.404 3.557 3.960 0.001 0.000 0.264 486 G C 0.482 175.399 174.900 0.029 0.000 0.985 486 G CA 0.243 45.358 45.100 0.024 0.000 0.625 486 G HN 0.643 nan 8.290 nan 0.000 0.536 487 R N 1.201 121.719 120.500 0.030 0.000 2.491 487 R HA 0.463 4.804 4.340 0.001 0.000 0.283 487 R C -0.442 175.882 176.300 0.041 0.000 1.072 487 R CA 0.531 56.648 56.100 0.028 0.000 1.048 487 R CB 0.279 30.593 30.300 0.022 0.000 0.983 487 R HN 0.113 nan 8.270 nan 0.000 0.450 488 T N 5.162 119.735 114.554 0.031 0.000 2.743 488 T HA 0.260 4.611 4.350 0.001 0.000 0.292 488 T C -0.466 174.234 174.700 -0.000 0.000 0.972 488 T CA -0.545 61.577 62.100 0.038 0.000 0.967 488 T CB 0.946 69.836 68.868 0.036 0.000 0.926 488 T HN 0.452 nan 8.240 nan 0.000 0.459 489 K N 1.913 122.311 120.400 -0.003 0.000 2.098 489 K HA 0.600 4.921 4.320 0.001 0.000 0.258 489 K C -0.210 176.219 176.600 -0.285 0.000 0.973 489 K CA -0.731 55.458 56.287 -0.164 0.000 0.898 489 K CB 1.251 33.627 32.500 -0.206 0.000 1.057 489 K HN 0.407 nan 8.250 nan 0.000 0.447 490 T N 2.061 116.337 114.554 -0.462 0.000 2.792 490 T HA 0.409 4.760 4.350 0.001 0.000 0.280 490 T C -1.235 173.171 174.700 -0.491 0.000 0.990 490 T CA -0.606 61.304 62.100 -0.317 0.000 0.960 490 T CB 0.245 69.032 68.868 -0.135 0.000 0.939 490 T HN 0.290 nan 8.240 nan 0.000 0.439 491 Y N 1.339 121.671 120.300 0.054 0.000 2.446 491 Y HA 0.640 5.191 4.550 0.001 0.000 0.345 491 Y C 0.389 176.331 175.900 0.071 0.000 0.984 491 Y CA -1.345 56.789 58.100 0.056 0.000 1.058 491 Y CB 1.771 40.268 38.460 0.062 0.000 1.220 491 Y HN 0.485 nan 8.280 nan 0.000 0.455 492 R N 2.664 123.287 120.500 0.204 0.000 2.514 492 R HA 0.527 4.868 4.340 0.001 0.000 0.301 492 R C -0.820 175.543 176.300 0.106 0.000 0.962 492 R CA -0.912 55.261 56.100 0.121 0.000 0.882 492 R CB 1.290 31.626 30.300 0.059 0.000 1.143 492 R HN 0.831 nan 8.270 nan 0.000 0.452 493 R N 1.999 122.519 120.500 0.035 0.000 2.389 493 R HA 0.081 4.422 4.340 0.001 0.000 0.295 493 R C -0.021 176.219 176.300 -0.099 0.000 1.075 493 R CA 0.524 56.585 56.100 -0.064 0.000 1.005 493 R CB 0.783 30.864 30.300 -0.366 0.000 0.987 493 R HN 0.934 nan 8.270 nan 0.000 0.452 494 T N 0.126 114.641 114.554 -0.065 0.000 2.975 494 T HA 0.400 4.750 4.350 0.001 0.000 0.257 494 T C 0.079 174.727 174.700 -0.087 0.000 1.003 494 T CA 0.118 62.184 62.100 -0.056 0.000 0.932 494 T CB 0.736 69.605 68.868 0.001 0.000 1.087 494 T HN 0.542 nan 8.240 nan 0.000 0.512 495 A N 1.721 124.472 122.820 -0.114 0.000 2.577 495 A HA 0.704 5.024 4.320 0.001 0.000 0.297 495 A C 0.195 177.702 177.584 -0.127 0.000 1.060 495 A CA -0.995 50.972 52.037 -0.117 0.000 0.697 495 A CB 1.169 20.114 19.000 -0.092 0.000 1.281 495 A HN 0.328 nan 8.150 nan 0.000 0.402 496 R N 0.183 120.615 120.500 -0.114 0.000 2.509 496 R HA 0.455 4.796 4.340 0.001 0.000 0.297 496 R C 0.119 176.485 176.300 0.111 0.000 0.951 496 R CA 0.638 56.724 56.100 -0.023 0.000 1.103 496 R CB 0.958 31.153 30.300 -0.174 0.000 1.283 496 R HN 0.667 nan 8.270 nan 0.000 0.534 497 T N -1.037 113.545 114.554 0.047 0.000 2.786 497 T HA 0.146 4.497 4.350 0.001 0.000 0.316 497 T C -0.438 174.296 174.700 0.057 0.000 1.503 497 T CA -0.766 61.378 62.100 0.074 0.000 1.019 497 T CB 0.973 69.891 68.868 0.084 0.000 1.415 497 T HN 0.115 nan 8.240 nan 0.000 0.496 498 F N 3.025 122.947 119.950 -0.048 0.000 2.063 498 F HA -0.168 4.360 4.527 0.001 0.000 0.298 498 F C 1.667 177.450 175.800 -0.027 0.000 1.105 498 F CA 2.410 60.371 58.000 -0.065 0.000 1.215 498 F CB -0.056 38.891 39.000 -0.087 0.000 0.972 498 F HN 0.685 nan 8.300 nan 0.000 0.483 499 N N 0.136 118.734 118.700 -0.170 0.000 2.434 499 N HA -0.039 4.702 4.740 0.001 0.000 0.196 499 N C -0.654 174.757 175.510 -0.165 0.000 1.183 499 N CA -0.155 52.736 53.050 -0.265 0.000 0.849 499 N CB -0.156 38.282 38.487 -0.081 0.000 0.992 499 N HN 0.236 nan 8.380 nan 0.000 0.460 500 D N 0.325 120.648 120.400 -0.129 0.000 2.368 500 D HA 0.060 4.700 4.640 0.001 0.000 0.240 500 D C 0.993 177.218 176.300 -0.125 0.000 1.169 500 D CA 0.147 54.084 54.000 -0.104 0.000 0.906 500 D CB 0.446 41.193 40.800 -0.088 0.000 1.187 500 D HN 0.123 nan 8.370 nan 0.000 0.435 501 G N 0.541 109.286 108.800 -0.092 0.000 2.349 501 G HA2 0.050 4.011 3.960 0.001 0.000 0.232 501 G HA3 0.050 4.011 3.960 0.001 0.000 0.232 501 G C 0.238 175.089 174.900 -0.081 0.000 1.240 501 G CA -0.352 44.701 45.100 -0.078 0.000 0.870 501 G HN 0.422 nan 8.290 nan 0.000 0.528 502 L N 2.492 123.677 121.223 -0.065 0.000 2.573 502 L HA 0.354 4.695 4.340 0.001 0.000 0.290 502 L C 1.358 178.213 176.870 -0.025 0.000 1.247 502 L CA 1.649 56.466 54.840 -0.039 0.000 0.876 502 L CB 0.804 42.861 42.059 -0.004 0.000 1.123 502 L HN 0.531 nan 8.230 nan 0.000 0.505 503 G N 3.781 112.551 108.800 -0.050 0.000 2.881 503 G HA2 0.084 4.044 3.960 0.001 0.000 0.198 503 G HA3 0.084 4.044 3.960 0.001 0.000 0.198 503 G C -0.144 174.921 174.900 0.276 0.000 1.081 503 G CA -0.162 44.944 45.100 0.009 0.000 0.787 503 G HN 0.411 nan 8.290 nan 0.000 0.622 504 F N 2.660 122.657 119.950 0.079 0.000 2.371 504 F HA 0.574 5.102 4.527 0.001 0.000 0.363 504 F C 0.042 175.919 175.800 0.128 0.000 1.122 504 F CA -1.362 56.664 58.000 0.044 0.000 1.129 504 F CB 0.846 39.821 39.000 -0.041 0.000 1.173 504 F HN -0.276 nan 8.300 nan 0.000 0.489 505 T N 5.430 120.136 114.554 0.253 0.000 2.797 505 T HA 0.735 5.085 4.350 0.001 0.000 0.279 505 T C -0.143 174.628 174.700 0.117 0.000 0.991 505 T CA -0.396 61.815 62.100 0.185 0.000 0.979 505 T CB 1.248 70.192 68.868 0.127 0.000 0.943 505 T HN 0.293 nan 8.240 nan 0.000 0.444 506 I N 1.957 122.602 120.570 0.124 0.000 2.534 506 I HA 0.433 4.604 4.170 0.001 0.000 0.288 506 I C 0.780 176.957 176.117 0.100 0.000 1.077 506 I CA -1.049 60.276 61.300 0.040 0.000 1.051 506 I CB 1.967 39.890 38.000 -0.128 0.000 1.234 506 I HN 0.724 nan 8.210 nan 0.000 0.425 507 G N 4.559 113.410 108.800 0.085 0.000 2.343 507 G HA2 0.077 4.038 3.960 0.001 0.000 0.254 507 G HA3 0.077 4.038 3.960 0.001 0.000 0.254 507 G C 0.005 174.995 174.900 0.150 0.000 1.277 507 G CA -0.200 44.971 45.100 0.118 0.000 0.909 507 G HN 0.635 nan 8.290 nan 0.000 0.502 508 E N 1.326 121.654 120.200 0.213 0.000 2.502 508 E HA 0.174 4.525 4.350 0.001 0.000 0.261 508 E C 1.428 178.106 176.600 0.130 0.000 0.974 508 E CA 1.445 57.965 56.400 0.199 0.000 0.936 508 E CB 0.561 30.430 29.700 0.281 0.000 0.926 508 E HN 1.088 nan 8.360 nan 0.000 0.459 509 G N 3.260 112.108 108.800 0.079 0.000 2.199 509 G HA2 -0.294 3.667 3.960 0.001 0.000 0.254 509 G HA3 -0.294 3.667 3.960 0.001 0.000 0.254 509 G C 0.490 175.404 174.900 0.023 0.000 0.982 509 G CA 0.671 45.787 45.100 0.026 0.000 0.632 509 G HN 0.803 nan 8.290 nan 0.000 0.529 510 T N -1.239 113.362 114.554 0.078 0.000 2.868 510 T HA 0.587 4.938 4.350 0.001 0.000 0.292 510 T C 0.082 174.827 174.700 0.075 0.000 1.028 510 T CA -0.051 62.120 62.100 0.119 0.000 1.059 510 T CB 1.532 70.475 68.868 0.124 0.000 0.991 510 T HN 0.368 nan 8.240 nan 0.000 0.531 511 H N -0.035 119.104 119.070 0.115 0.000 2.479 511 H HA 0.621 5.178 4.556 0.001 0.000 0.335 511 H C 0.007 175.446 175.328 0.186 0.000 1.142 511 H CA -0.583 55.533 56.048 0.114 0.000 1.234 511 H CB 1.093 30.884 29.762 0.049 0.000 1.503 511 H HN 0.692 nan 8.280 nan 0.000 0.510 512 E N 1.126 121.538 120.200 0.353 0.000 2.340 512 E HA 0.163 4.513 4.350 0.001 0.000 0.273 512 E C -1.073 175.687 176.600 0.266 0.000 0.891 512 E CA -0.989 55.609 56.400 0.331 0.000 0.757 512 E CB 2.845 32.829 29.700 0.472 0.000 1.231 512 E HN 0.482 nan 8.360 nan 0.000 0.439 513 Q N 2.592 122.457 119.800 0.109 0.000 2.278 513 Q HA 0.227 4.568 4.340 0.001 0.000 0.257 513 Q C -1.482 174.687 176.000 0.282 0.000 0.928 513 Q CA -0.629 55.231 55.803 0.095 0.000 0.932 513 Q CB 0.741 29.436 28.738 -0.072 0.000 1.221 513 Q HN 0.386 nan 8.270 nan 0.000 0.434 514 W N 2.396 123.604 121.300 -0.154 0.000 2.520 514 W HA 0.381 5.042 4.660 0.002 0.000 0.323 514 W C -0.485 175.793 176.519 -0.402 0.000 1.062 514 W CA -0.646 56.482 57.345 -0.362 0.000 1.215 514 W CB 1.982 31.110 29.460 -0.554 0.000 1.340 514 W HN 0.418 nan 8.180 nan 0.000 0.516 515 T N 4.233 118.655 114.554 -0.221 0.000 2.779 515 T HA 0.462 4.813 4.350 0.001 0.000 0.280 515 T C -0.874 173.626 174.700 -0.334 0.000 0.987 515 T CA -0.432 61.553 62.100 -0.192 0.000 0.966 515 T CB 0.264 69.076 68.868 -0.094 0.000 0.933 515 T HN -0.030 nan 8.240 nan 0.000 0.442 516 F N 3.213 123.187 119.950 0.040 0.000 2.391 516 F HA 0.468 4.996 4.527 0.001 0.000 0.359 516 F C 0.061 175.853 175.800 -0.013 0.000 1.122 516 F CA -1.026 57.002 58.000 0.047 0.000 1.120 516 F CB 0.920 39.984 39.000 0.107 0.000 1.142 516 F HN 0.265 nan 8.300 nan 0.000 0.483 517 L N 5.521 126.777 121.223 0.055 0.000 2.301 517 L HA 0.430 4.771 4.340 0.001 0.000 0.278 517 L C -0.630 176.181 176.870 -0.098 0.000 1.022 517 L CA -0.390 54.385 54.840 -0.108 0.000 0.854 517 L CB 0.283 42.173 42.059 -0.281 0.000 1.226 517 L HN 0.433 nan 8.230 nan 0.000 0.429 518 N N 4.587 123.267 118.700 -0.033 0.000 2.414 518 N HA 0.242 4.983 4.740 0.001 0.000 0.256 518 N C 0.358 175.812 175.510 -0.093 0.000 1.029 518 N CA -0.116 52.921 53.050 -0.021 0.000 0.948 518 N CB 0.999 39.541 38.487 0.092 0.000 1.102 518 N HN 0.751 nan 8.380 nan 0.000 0.496 519 L N 1.205 122.312 121.223 -0.192 0.000 2.607 519 L HA 0.141 4.482 4.340 0.001 0.000 0.228 519 L C 0.849 177.646 176.870 -0.122 0.000 1.123 519 L CA 0.009 54.709 54.840 -0.233 0.000 0.890 519 L CB -0.224 41.511 42.059 -0.539 0.000 1.103 519 L HN 0.472 nan 8.230 nan 0.000 0.468 520 S N -0.848 114.816 115.700 -0.060 0.000 2.747 520 S HA 0.492 4.963 4.470 0.001 0.000 0.300 520 S C -2.190 172.424 174.600 0.024 0.000 1.121 520 S CA -1.211 56.988 58.200 -0.003 0.000 0.995 520 S CB 1.606 64.824 63.200 0.030 0.000 1.113 520 S HN -0.162 nan 8.310 nan 0.000 0.547 521 P HA 0.368 nan 4.420 nan 0.000 0.262 521 P C -0.279 177.022 177.300 0.001 0.000 1.304 521 P CA -0.119 62.992 63.100 0.019 0.000 0.859 521 P CB -0.197 31.513 31.700 0.016 0.000 1.310 522 I N 1.060 121.626 120.570 -0.007 0.000 2.416 522 I HA 0.094 4.265 4.170 0.001 0.000 0.288 522 I C 0.887 176.878 176.117 -0.210 0.000 1.051 522 I CA -0.706 60.538 61.300 -0.094 0.000 1.375 522 I CB 0.946 38.888 38.000 -0.096 0.000 1.407 522 I HN -0.124 nan 8.210 nan 0.000 0.516 523 L N 7.629 128.740 121.223 -0.186 0.000 2.361 523 L HA 0.224 4.565 4.340 0.001 0.000 0.278 523 L C -0.423 176.287 176.870 -0.266 0.000 1.113 523 L CA -0.122 54.642 54.840 -0.127 0.000 0.849 523 L CB -0.108 41.934 42.059 -0.028 0.000 1.155 523 L HN 0.546 nan 8.230 nan 0.000 0.452 524 H N 5.540 124.672 119.070 0.103 0.000 2.481 524 H HA 0.340 4.897 4.556 0.001 0.000 0.333 524 H C -2.327 173.053 175.328 0.087 0.000 1.066 524 H CA -2.216 53.902 56.048 0.118 0.000 1.209 524 H CB 1.448 31.273 29.762 0.106 0.000 1.445 524 H HN 0.411 nan 8.280 nan 0.000 0.488 525 P HA 0.090 nan 4.420 nan 0.000 0.280 525 P C -0.107 177.271 177.300 0.129 0.000 1.386 525 P CA -0.397 62.789 63.100 0.143 0.000 0.899 525 P CB 0.299 32.080 31.700 0.136 0.000 1.098 526 M N 3.429 123.041 119.600 0.021 0.000 2.216 526 M HA 0.285 4.766 4.480 0.001 0.000 0.356 526 M C 0.178 176.433 176.300 -0.074 0.000 1.205 526 M CA -0.243 55.001 55.300 -0.094 0.000 1.122 526 M CB 0.056 32.303 32.600 -0.588 0.000 1.571 526 M HN 0.439 nan 8.290 nan 0.000 0.464 527 H N 2.447 121.432 119.070 -0.142 0.000 2.679 527 H HA 0.708 5.265 4.556 0.001 0.000 0.360 527 H C -1.786 173.555 175.328 0.023 0.000 1.105 527 H CA -0.641 55.309 56.048 -0.165 0.000 1.196 527 H CB 1.170 30.885 29.762 -0.079 0.000 1.636 527 H HN 0.685 nan 8.280 nan 0.000 0.531 528 I N 4.951 125.285 120.570 -0.392 0.000 2.433 528 I HA 0.249 4.419 4.170 0.001 0.000 0.292 528 I C 0.458 176.457 176.117 -0.196 0.000 1.001 528 I CA -0.685 60.529 61.300 -0.144 0.000 1.119 528 I CB 1.497 39.312 38.000 -0.308 0.000 1.289 528 I HN 0.603 nan 8.210 nan 0.000 0.438 529 H N 4.256 123.326 119.070 -0.000 0.000 2.639 529 H HA 0.146 4.703 4.556 0.002 0.000 0.373 529 H C 0.912 176.293 175.328 0.088 0.000 1.372 529 H CA -0.356 55.723 56.048 0.052 0.000 1.448 529 H CB 1.032 30.927 29.762 0.222 0.000 1.544 529 H HN 0.657 nan 8.280 nan 0.000 0.615 530 L N -0.814 120.407 121.223 -0.002 0.000 3.530 530 L HA -0.339 4.002 4.340 0.001 0.000 0.357 530 L C -0.027 176.762 176.870 -0.135 0.000 2.051 530 L CA 2.306 56.998 54.840 -0.247 0.000 2.804 530 L CB -1.425 40.182 42.059 -0.753 0.000 1.640 530 L HN 0.698 nan 8.230 nan 0.000 0.757 531 A N -0.158 122.626 122.820 -0.059 0.000 2.311 531 A HA 0.654 4.975 4.320 0.001 0.000 0.334 531 A C -0.607 176.912 177.584 -0.109 0.000 1.139 531 A CA -0.042 51.838 52.037 -0.261 0.000 0.830 531 A CB 0.551 19.048 19.000 -0.837 0.000 1.234 531 A HN 0.350 nan 8.150 nan 0.000 0.483 532 D N 0.155 120.404 120.400 -0.253 0.000 2.177 532 D HA 0.616 5.257 4.640 0.001 0.000 0.247 532 D C -1.189 174.896 176.300 -0.358 0.000 1.063 532 D CA 0.699 54.661 54.000 -0.063 0.000 0.867 532 D CB 1.022 41.826 40.800 0.006 0.000 1.168 532 D HN 0.265 nan 8.370 nan 0.000 0.445 533 F N 0.447 120.473 119.950 0.127 0.000 2.593 533 F HA 0.354 4.882 4.527 0.001 0.000 0.320 533 F C 0.478 176.390 175.800 0.186 0.000 1.060 533 F CA -0.789 57.271 58.000 0.101 0.000 0.940 533 F CB 1.631 40.733 39.000 0.170 0.000 1.268 533 F HN -0.003 nan 8.300 nan 0.000 0.475 534 Q N 0.617 120.572 119.800 0.258 0.000 2.365 534 Q HA 0.585 4.926 4.340 0.001 0.000 0.269 534 Q C -1.365 174.706 176.000 0.117 0.000 1.061 534 Q CA -1.118 54.804 55.803 0.199 0.000 0.816 534 Q CB 2.965 31.784 28.738 0.135 0.000 1.325 534 Q HN 0.376 nan 8.270 nan 0.000 0.446 535 V N 4.337 124.311 119.914 0.100 0.000 2.439 535 V HA 0.019 4.140 4.120 0.001 0.000 0.271 535 V C 1.014 177.129 176.094 0.034 0.000 1.040 535 V CA 0.432 62.748 62.300 0.026 0.000 1.002 535 V CB 0.356 32.216 31.823 0.062 0.000 1.000 535 V HN 0.789 nan 8.190 nan 0.000 0.477 536 L N 4.047 125.276 121.223 0.010 0.000 2.249 536 L HA 0.439 4.779 4.340 0.001 0.000 0.207 536 L C 1.076 177.949 176.870 0.006 0.000 1.090 536 L CA 0.944 55.790 54.840 0.010 0.000 0.802 536 L CB 0.030 42.084 42.059 -0.007 0.000 0.947 536 L HN 0.827 nan 8.230 nan 0.000 0.453 537 G N -0.135 108.671 108.800 0.011 0.000 2.387 537 G HA2 0.448 4.409 3.960 0.001 0.000 0.294 537 G HA3 0.448 4.409 3.960 0.001 0.000 0.294 537 G C -1.578 173.345 174.900 0.040 0.000 1.509 537 G CA -0.829 44.282 45.100 0.019 0.000 0.806 537 G HN -0.083 nan 8.290 nan 0.000 0.546 538 R N 0.411 120.938 120.500 0.045 0.000 2.628 538 R HA 0.594 4.935 4.340 0.001 0.000 0.288 538 R C -1.612 174.718 176.300 0.050 0.000 0.980 538 R CA -0.937 55.204 56.100 0.069 0.000 0.891 538 R CB 2.569 32.913 30.300 0.073 0.000 1.188 538 R HN 0.509 nan 8.270 nan 0.000 0.450 539 D N 1.221 121.667 120.400 0.077 0.000 2.738 539 D HA 0.335 4.976 4.640 0.001 0.000 0.237 539 D C -0.801 175.489 176.300 -0.017 0.000 1.123 539 D CA -0.565 53.419 54.000 -0.027 0.000 0.856 539 D CB 2.385 43.113 40.800 -0.119 0.000 1.552 539 D HN 0.546 nan 8.370 nan 0.000 0.480 540 A N 1.994 124.755 122.820 -0.099 0.000 2.354 540 A HA 0.533 4.854 4.320 0.001 0.000 0.269 540 A C -1.219 176.228 177.584 -0.229 0.000 1.109 540 A CA -0.083 51.928 52.037 -0.043 0.000 0.800 540 A CB 0.281 19.267 19.000 -0.025 0.000 1.045 540 A HN 0.514 nan 8.150 nan 0.000 0.489 541 Y N 0.024 120.339 120.300 0.023 0.000 2.499 541 Y HA 0.347 4.898 4.550 0.001 0.000 0.347 541 Y C -0.030 175.885 175.900 0.026 0.000 0.987 541 Y CA -0.759 57.355 58.100 0.025 0.000 1.044 541 Y CB 1.874 40.346 38.460 0.021 0.000 1.245 541 Y HN 0.709 nan 8.280 nan 0.000 0.461 542 D N 1.962 122.464 120.400 0.170 0.000 2.352 542 D HA 0.288 4.929 4.640 0.001 0.000 0.245 542 D C -0.002 176.390 176.300 0.153 0.000 1.224 542 D CA 0.122 54.200 54.000 0.129 0.000 0.879 542 D CB 1.265 42.118 40.800 0.089 0.000 1.057 542 D HN 0.678 nan 8.370 nan 0.000 0.491 543 A N 3.015 125.911 122.820 0.126 0.000 2.460 543 A HA 0.093 4.414 4.320 0.001 0.000 0.258 543 A C 1.741 179.402 177.584 0.130 0.000 1.300 543 A CA 0.200 52.303 52.037 0.111 0.000 0.913 543 A CB -0.280 18.751 19.000 0.051 0.000 1.031 543 A HN 0.519 nan 8.150 nan 0.000 0.512 544 S N -1.023 114.743 115.700 0.111 0.000 2.447 544 S HA -0.028 4.442 4.470 0.001 0.000 0.233 544 S C 1.830 176.494 174.600 0.106 0.000 1.006 544 S CA 1.072 59.332 58.200 0.100 0.000 0.957 544 S CB -0.598 62.645 63.200 0.071 0.000 0.773 544 S HN 0.602 nan 8.310 nan 0.000 0.507 545 G N 0.594 109.465 108.800 0.118 0.000 2.471 545 G HA2 -0.008 3.952 3.960 0.001 0.000 0.219 545 G HA3 -0.008 3.952 3.960 0.001 0.000 0.219 545 G C 0.228 175.215 174.900 0.144 0.000 1.125 545 G CA -0.166 45.002 45.100 0.113 0.000 0.775 545 G HN 0.562 nan 8.290 nan 0.000 0.548 546 F N 1.926 121.894 119.950 0.030 0.000 2.506 546 F HA 0.297 4.825 4.527 0.001 0.000 0.371 546 F C -0.151 175.660 175.800 0.019 0.000 1.078 546 F CA -0.972 57.040 58.000 0.021 0.000 1.195 546 F CB 0.795 39.788 39.000 -0.012 0.000 1.099 546 F HN -0.083 nan 8.300 nan 0.000 0.548 547 D N 7.347 127.416 120.400 -0.553 0.000 2.381 547 D HA 0.152 4.793 4.640 0.001 0.000 0.235 547 D C 0.965 176.936 176.300 -0.547 0.000 1.068 547 D CA -0.321 53.460 54.000 -0.365 0.000 0.832 547 D CB 1.267 41.940 40.800 -0.212 0.000 1.101 547 D HN 0.654 nan 8.370 nan 0.000 0.515 548 L N 2.685 123.730 121.223 -0.297 0.000 2.141 548 L HA -0.090 4.251 4.340 0.001 0.000 0.209 548 L C 2.247 179.044 176.870 -0.122 0.000 1.094 548 L CA 1.046 55.772 54.840 -0.190 0.000 0.763 548 L CB -0.491 41.562 42.059 -0.011 0.000 0.908 548 L HN 0.385 nan 8.230 nan 0.000 0.437 549 A N -0.256 122.505 122.820 -0.098 0.000 2.123 549 A HA -0.053 4.268 4.320 0.001 0.000 0.214 549 A C 2.141 179.694 177.584 -0.051 0.000 1.152 549 A CA 0.623 52.631 52.037 -0.048 0.000 0.728 549 A CB -0.191 18.791 19.000 -0.031 0.000 0.814 549 A HN 0.324 nan 8.150 nan 0.000 0.464 550 L N -1.030 120.133 121.223 -0.100 0.000 2.202 550 L HA 0.318 4.659 4.340 0.001 0.000 0.205 550 L C 1.511 178.357 176.870 -0.040 0.000 1.083 550 L CA 1.929 56.724 54.840 -0.075 0.000 0.790 550 L CB -0.447 41.553 42.059 -0.099 0.000 0.942 550 L HN 0.700 nan 8.230 nan 0.000 0.452 551 G N -0.987 107.754 108.800 -0.098 0.000 2.160 551 G HA2 0.031 3.992 3.960 0.001 0.000 0.244 551 G HA3 0.031 3.992 3.960 0.001 0.000 0.244 551 G C 0.419 175.451 174.900 0.221 0.000 1.022 551 G CA 0.318 45.511 45.100 0.154 0.000 0.741 551 G HN 1.035 nan 8.290 nan 0.000 0.508 552 G N -1.797 106.910 108.800 -0.155 0.000 2.559 552 G HA2 0.855 4.816 3.960 0.001 0.000 0.291 552 G HA3 0.855 4.816 3.960 0.001 0.000 0.291 552 G C -0.311 174.558 174.900 -0.052 0.000 1.424 552 G CA 0.674 45.822 45.100 0.082 0.000 0.786 552 G HN 1.424 nan 8.290 nan 0.000 0.485 553 T N -1.591 113.050 114.554 0.144 0.000 2.889 553 T HA 0.515 4.866 4.350 0.001 0.000 0.291 553 T C 0.924 175.659 174.700 0.058 0.000 0.995 553 T CA -0.543 61.633 62.100 0.126 0.000 1.092 553 T CB 2.534 71.521 68.868 0.199 0.000 0.954 553 T HN 0.513 nan 8.240 nan 0.000 0.506 554 R N 0.452 120.975 120.500 0.038 0.000 2.167 554 R HA 0.173 4.514 4.340 0.001 0.000 0.201 554 R C 0.750 177.076 176.300 0.043 0.000 1.024 554 R CA 0.564 56.681 56.100 0.028 0.000 1.053 554 R CB 0.354 30.659 30.300 0.008 0.000 0.987 554 R HN 0.886 nan 8.270 nan 0.000 0.493 555 T N -0.872 113.718 114.554 0.059 0.000 2.893 555 T HA 0.469 4.820 4.350 0.001 0.000 0.291 555 T C -2.914 171.841 174.700 0.092 0.000 1.028 555 T CA -2.560 59.579 62.100 0.066 0.000 0.995 555 T CB 2.644 71.546 68.868 0.056 0.000 1.051 555 T HN -0.266 nan 8.240 nan 0.000 0.470 556 P HA 0.167 nan 4.420 nan 0.000 0.267 556 P C -0.161 177.219 177.300 0.133 0.000 1.200 556 P CA -0.449 62.721 63.100 0.117 0.000 0.772 556 P CB 0.268 32.031 31.700 0.105 0.000 0.855 557 V N 4.182 124.186 119.914 0.150 0.000 2.599 557 V HA 0.016 4.137 4.120 0.001 0.000 0.300 557 V C 0.998 177.227 176.094 0.225 0.000 1.034 557 V CA 0.608 63.004 62.300 0.160 0.000 1.115 557 V CB -0.401 31.467 31.823 0.076 0.000 0.934 557 V HN 0.485 nan 8.190 nan 0.000 0.485 558 R N 4.290 124.942 120.500 0.253 0.000 2.476 558 R HA 0.469 4.810 4.340 0.001 0.000 0.305 558 R C -0.708 175.690 176.300 0.162 0.000 0.965 558 R CA -0.905 55.315 56.100 0.200 0.000 0.867 558 R CB 1.265 31.631 30.300 0.108 0.000 1.176 558 R HN 0.764 nan 8.270 nan 0.000 0.447 559 L N 3.771 125.007 121.223 0.022 0.000 2.601 559 L HA -0.024 4.317 4.340 0.001 0.000 0.277 559 L C -0.465 176.278 176.870 -0.212 0.000 1.219 559 L CA 0.766 55.348 54.840 -0.430 0.000 0.915 559 L CB 0.367 42.198 42.059 -0.379 0.000 1.160 559 L HN 0.630 nan 8.230 nan 0.000 0.494 560 D N 6.683 126.941 120.400 -0.236 0.000 2.472 560 D HA 0.330 4.971 4.640 0.001 0.000 0.234 560 D C -1.982 174.254 176.300 -0.106 0.000 1.088 560 D CA -2.168 51.766 54.000 -0.111 0.000 0.882 560 D CB 1.350 42.112 40.800 -0.063 0.000 1.037 560 D HN 0.246 nan 8.370 nan 0.000 0.520 561 P HA 0.087 nan 4.420 nan 0.000 0.242 561 P C 0.242 177.517 177.300 -0.041 0.000 1.197 561 P CA 0.282 63.343 63.100 -0.064 0.000 0.765 561 P CB 0.502 32.172 31.700 -0.049 0.000 0.936 562 D N -1.514 118.866 120.400 -0.033 0.000 2.333 562 D HA 0.005 4.645 4.640 0.001 0.000 0.208 562 D C 0.193 176.482 176.300 -0.018 0.000 0.984 562 D CA 0.986 54.974 54.000 -0.020 0.000 0.873 562 D CB -0.217 40.575 40.800 -0.013 0.000 0.935 562 D HN 0.064 nan 8.370 nan 0.000 0.521 563 T N 2.970 117.509 114.554 -0.025 0.000 3.145 563 T HA 0.347 4.697 4.350 0.001 0.000 0.362 563 T C -2.521 172.165 174.700 -0.023 0.000 1.340 563 T CA -1.475 60.614 62.100 -0.018 0.000 1.069 563 T CB 1.552 70.413 68.868 -0.012 0.000 1.129 563 T HN -0.105 nan 8.240 nan 0.000 0.585 564 P HA 0.241 nan 4.420 nan 0.000 0.268 564 P C -0.742 176.556 177.300 -0.003 0.000 1.205 564 P CA -0.416 62.676 63.100 -0.014 0.000 0.771 564 P CB 0.652 32.346 31.700 -0.009 0.000 0.858 565 V N 4.959 124.874 119.914 0.002 0.000 2.289 565 V HA 0.247 4.368 4.120 0.001 0.000 0.272 565 V C -1.860 174.248 176.094 0.022 0.000 1.026 565 V CA -1.628 60.683 62.300 0.018 0.000 0.807 565 V CB 0.787 32.628 31.823 0.031 0.000 1.044 565 V HN 0.608 nan 8.190 nan 0.000 0.443 566 P HA 0.170 nan 4.420 nan 0.000 0.269 566 P C -0.100 177.221 177.300 0.034 0.000 1.209 566 P CA -0.207 62.906 63.100 0.023 0.000 0.776 566 P CB 1.155 32.866 31.700 0.019 0.000 0.876 567 L N 1.156 122.401 121.223 0.035 0.000 2.485 567 L HA 0.158 4.499 4.340 0.001 0.000 0.275 567 L C 1.261 178.160 176.870 0.047 0.000 1.207 567 L CA -0.501 54.367 54.840 0.047 0.000 0.855 567 L CB -0.133 41.952 42.059 0.043 0.000 1.114 567 L HN 0.477 nan 8.230 nan 0.000 0.485 568 A N 5.064 127.922 122.820 0.063 0.000 2.498 568 A HA 0.237 4.557 4.320 0.001 0.000 0.239 568 A C -1.421 176.195 177.584 0.053 0.000 1.068 568 A CA -0.998 51.078 52.037 0.065 0.000 0.766 568 A CB -0.092 18.965 19.000 0.094 0.000 1.003 568 A HN 0.620 nan 8.150 nan 0.000 0.497 569 P HA -0.102 nan 4.420 nan 0.000 0.225 569 P C 0.462 177.776 177.300 0.023 0.000 1.148 569 P CA 1.319 64.431 63.100 0.020 0.000 0.779 569 P CB 0.012 31.715 31.700 0.006 0.000 0.780 570 N N -0.605 118.128 118.700 0.054 0.000 2.235 570 N HA -0.041 4.699 4.740 0.001 0.000 0.209 570 N C 0.761 176.311 175.510 0.066 0.000 1.122 570 N CA 0.052 53.141 53.050 0.065 0.000 0.845 570 N CB -0.688 37.879 38.487 0.133 0.000 1.004 570 N HN 0.294 nan 8.380 nan 0.000 0.499 571 E N 0.401 120.643 120.200 0.070 0.000 2.499 571 E HA 0.136 4.487 4.350 0.001 0.000 0.199 571 E C 0.267 176.911 176.600 0.074 0.000 1.016 571 E CA -0.265 56.189 56.400 0.090 0.000 0.933 571 E CB -0.254 29.524 29.700 0.129 0.000 1.050 571 E HN 0.246 nan 8.360 nan 0.000 0.462 572 L N 0.317 121.552 121.223 0.020 0.000 2.629 572 L HA 0.379 4.720 4.340 0.001 0.000 0.230 572 L C 1.147 177.988 176.870 -0.049 0.000 1.151 572 L CA -0.118 54.725 54.840 0.005 0.000 0.924 572 L CB 0.257 42.299 42.059 -0.029 0.000 1.137 572 L HN 0.216 nan 8.230 nan 0.000 0.457 573 G N -1.330 107.433 108.800 -0.062 0.000 3.019 573 G HA2 0.276 4.237 3.960 0.001 0.000 0.152 573 G HA3 0.276 4.237 3.960 0.001 0.000 0.152 573 G C -0.964 173.987 174.900 0.084 0.000 1.320 573 G CA -0.565 44.468 45.100 -0.112 0.000 1.013 573 G HN 0.219 nan 8.290 nan 0.000 0.593 574 H N 0.489 119.739 119.070 0.300 0.000 2.620 574 H HA 0.490 5.047 4.556 0.001 0.000 0.313 574 H C -0.151 175.320 175.328 0.238 0.000 1.075 574 H CA -0.135 56.079 56.048 0.277 0.000 1.397 574 H CB 1.238 31.157 29.762 0.261 0.000 1.446 574 H HN -0.023 nan 8.280 nan 0.000 0.493 575 K N 2.037 122.691 120.400 0.424 0.000 2.435 575 K HA 0.138 4.459 4.320 0.001 0.000 0.251 575 K C -0.300 176.510 176.600 0.350 0.000 0.954 575 K CA -0.695 55.800 56.287 0.346 0.000 0.820 575 K CB 2.161 34.935 32.500 0.457 0.000 1.292 575 K HN 0.823 nan 8.250 nan 0.000 0.436 576 D N -1.715 118.709 120.400 0.040 0.000 2.510 576 D HA 0.092 4.732 4.640 0.001 0.000 0.234 576 D C -0.254 175.774 176.300 -0.454 0.000 1.178 576 D CA -0.016 53.938 54.000 -0.076 0.000 0.816 576 D CB 0.503 41.451 40.800 0.246 0.000 1.143 576 D HN 0.058 nan 8.370 nan 0.000 0.526 577 V N 1.104 120.681 119.914 -0.562 0.000 2.487 577 V HA 0.570 4.690 4.120 0.001 0.000 0.298 577 V C -1.223 174.526 176.094 -0.576 0.000 1.028 577 V CA -0.757 61.217 62.300 -0.544 0.000 0.860 577 V CB 1.345 33.049 31.823 -0.199 0.000 0.991 577 V HN 0.039 nan 8.190 nan 0.000 0.427 578 F N 1.747 121.721 119.950 0.040 0.000 2.518 578 F HA 0.499 5.027 4.527 0.002 0.000 0.323 578 F C 0.363 176.177 175.800 0.022 0.000 1.129 578 F CA -0.831 57.186 58.000 0.028 0.000 0.920 578 F CB 1.616 40.621 39.000 0.008 0.000 1.160 578 F HN 0.377 nan 8.300 nan 0.000 0.440 579 Q N 2.495 122.423 119.800 0.214 0.000 2.271 579 Q HA 0.284 4.625 4.340 0.001 0.000 0.273 579 Q C -0.637 175.460 176.000 0.162 0.000 1.051 579 Q CA -0.210 55.689 55.803 0.159 0.000 0.901 579 Q CB 1.499 30.321 28.738 0.140 0.000 1.174 579 Q HN 0.483 nan 8.270 nan 0.000 0.385 580 V N 5.840 125.838 119.914 0.140 0.000 2.239 580 V HA 0.241 4.362 4.120 0.001 0.000 0.267 580 V C -2.012 174.158 176.094 0.126 0.000 1.056 580 V CA -1.815 60.570 62.300 0.143 0.000 0.830 580 V CB 0.331 32.241 31.823 0.145 0.000 1.090 580 V HN 0.661 nan 8.190 nan 0.000 0.459 581 P HA 0.327 nan 4.420 nan 0.000 0.272 581 P C 0.632 177.980 177.300 0.079 0.000 1.240 581 P CA 0.937 64.081 63.100 0.073 0.000 0.791 581 P CB 0.905 32.642 31.700 0.063 0.000 0.978 582 G N 1.448 110.281 108.800 0.055 0.000 2.894 582 G HA2 -0.149 3.812 3.960 0.001 0.000 0.247 582 G HA3 -0.149 3.812 3.960 0.001 0.000 0.247 582 G C -2.503 172.435 174.900 0.064 0.000 1.442 582 G CA -0.688 44.442 45.100 0.050 0.000 0.897 582 G HN 0.620 nan 8.290 nan 0.000 0.550 583 P HA 0.138 nan 4.420 nan 0.000 0.263 583 P C -0.167 177.221 177.300 0.146 0.000 1.276 583 P CA 0.980 64.128 63.100 0.081 0.000 0.986 583 P CB 0.616 32.367 31.700 0.085 0.000 1.105 584 Q N 1.888 121.776 119.800 0.147 0.000 2.472 584 Q HA 0.590 4.931 4.340 0.001 0.000 0.281 584 Q C -1.272 174.849 176.000 0.201 0.000 0.997 584 Q CA -0.836 55.104 55.803 0.227 0.000 0.828 584 Q CB 2.442 31.273 28.738 0.156 0.000 1.443 584 Q HN 0.451 nan 8.270 nan 0.000 0.390 585 G N 1.495 110.487 108.800 0.320 0.000 2.530 585 G HA2 0.602 4.563 3.960 0.001 0.000 0.316 585 G HA3 0.602 4.563 3.960 0.001 0.000 0.316 585 G C -1.881 173.145 174.900 0.211 0.000 1.298 585 G CA -0.349 44.894 45.100 0.238 0.000 0.948 585 G HN 0.379 nan 8.290 nan 0.000 0.486 586 L N 1.493 122.824 121.223 0.178 0.000 2.362 586 L HA 0.753 5.094 4.340 0.001 0.000 0.275 586 L C -0.260 176.672 176.870 0.104 0.000 0.998 586 L CA -0.905 54.025 54.840 0.149 0.000 0.820 586 L CB 1.746 43.916 42.059 0.184 0.000 1.270 586 L HN 0.506 nan 8.230 nan 0.000 0.415 587 R N 4.170 124.698 120.500 0.047 0.000 2.343 587 R HA 0.744 5.085 4.340 0.001 0.000 0.320 587 R C -1.101 175.175 176.300 -0.041 0.000 0.956 587 R CA -0.690 55.416 56.100 0.010 0.000 0.836 587 R CB 1.846 32.157 30.300 0.019 0.000 1.151 587 R HN 0.634 nan 8.270 nan 0.000 0.450 588 V N 0.475 120.343 119.914 -0.075 0.000 2.864 588 V HA 0.708 4.829 4.120 0.001 0.000 0.314 588 V C -0.516 175.606 176.094 0.046 0.000 1.073 588 V CA -1.068 61.167 62.300 -0.108 0.000 0.956 588 V CB 2.172 33.726 31.823 -0.449 0.000 1.023 588 V HN 0.780 nan 8.190 nan 0.000 0.435 589 M N 2.803 122.470 119.600 0.112 0.000 2.327 589 M HA 0.849 5.330 4.480 0.001 0.000 0.298 589 M C -0.351 175.935 176.300 -0.023 0.000 1.065 589 M CA -0.114 55.234 55.300 0.080 0.000 0.916 589 M CB 1.940 34.524 32.600 -0.027 0.000 1.630 589 M HN 1.228 nan 8.290 nan 0.000 0.442 590 G N 2.802 111.442 108.800 -0.266 0.000 2.672 590 G HA2 0.489 4.449 3.960 0.001 0.000 0.292 590 G HA3 0.489 4.449 3.960 0.001 0.000 0.292 590 G C -2.236 172.220 174.900 -0.740 0.000 1.375 590 G CA -0.681 43.824 45.100 -0.992 0.000 0.890 590 G HN 0.661 nan 8.290 nan 0.000 0.476 591 K N 0.568 120.451 120.400 -0.860 0.000 2.274 591 K HA 0.522 4.843 4.320 0.001 0.000 0.262 591 K C -1.260 174.944 176.600 -0.660 0.000 0.961 591 K CA -0.652 55.191 56.287 -0.740 0.000 0.833 591 K CB 0.900 32.968 32.500 -0.719 0.000 1.102 591 K HN 0.269 nan 8.250 nan 0.000 0.436 592 F N 3.212 122.979 119.950 -0.305 0.000 2.335 592 F HA 0.224 4.752 4.527 0.001 0.000 0.365 592 F C -0.085 175.637 175.800 -0.129 0.000 1.122 592 F CA -0.487 57.415 58.000 -0.163 0.000 1.151 592 F CB 0.949 39.937 39.000 -0.021 0.000 1.282 592 F HN 0.516 nan 8.300 nan 0.000 0.513 593 D N 1.262 121.639 120.400 -0.039 0.000 2.966 593 D HA 0.476 5.117 4.640 0.001 0.000 0.222 593 D C 0.375 176.611 176.300 -0.107 0.000 1.292 593 D CA 0.159 54.100 54.000 -0.097 0.000 0.907 593 D CB 1.557 42.252 40.800 -0.175 0.000 1.621 593 D HN 0.617 nan 8.370 nan 0.000 0.557 594 G N 1.663 110.387 108.800 -0.128 0.000 2.159 594 G HA2 0.246 4.207 3.960 0.001 0.000 0.256 594 G HA3 0.246 4.207 3.960 0.001 0.000 0.256 594 G C 0.317 175.119 174.900 -0.164 0.000 0.977 594 G CA 0.282 45.310 45.100 -0.119 0.000 0.652 594 G HN 1.283 nan 8.290 nan 0.000 0.531 595 A N -1.662 120.986 122.820 -0.286 0.000 2.566 595 A HA 0.821 5.142 4.320 0.001 0.000 0.290 595 A C -1.244 176.116 177.584 -0.374 0.000 1.071 595 A CA -0.696 51.183 52.037 -0.263 0.000 0.658 595 A CB 0.877 19.899 19.000 0.036 0.000 1.285 595 A HN 1.044 nan 8.150 nan 0.000 0.427 596 Y N -0.403 120.057 120.300 0.266 0.000 2.602 596 Y HA 0.823 5.374 4.550 0.001 0.000 0.342 596 Y C 0.972 177.027 175.900 0.258 0.000 1.029 596 Y CA 0.200 58.459 58.100 0.267 0.000 1.080 596 Y CB 2.190 40.731 38.460 0.135 0.000 1.284 596 Y HN 1.966 nan 8.280 nan 0.000 0.485 597 G N 0.871 109.883 108.800 0.352 0.000 2.265 597 G HA2 0.025 3.986 3.960 0.001 0.000 0.246 597 G HA3 0.025 3.986 3.960 0.001 0.000 0.246 597 G C -1.689 173.020 174.900 -0.318 0.000 1.299 597 G CA -1.222 43.826 45.100 -0.086 0.000 1.117 597 G HN 0.652 nan 8.290 nan 0.000 0.485 598 R N -0.116 119.981 120.500 -0.673 0.000 2.295 598 R HA 0.727 5.068 4.340 0.001 0.000 0.324 598 R C -0.989 174.825 176.300 -0.811 0.000 0.968 598 R CA -0.436 55.304 56.100 -0.600 0.000 0.837 598 R CB 0.410 30.338 30.300 -0.619 0.000 1.133 598 R HN 0.329 nan 8.270 nan 0.000 0.450 599 F N 2.256 122.014 119.950 -0.320 0.000 2.661 599 F HA 0.565 5.093 4.527 0.001 0.000 0.347 599 F C 0.121 175.772 175.800 -0.248 0.000 1.086 599 F CA -1.062 56.697 58.000 -0.402 0.000 1.016 599 F CB 1.304 39.729 39.000 -0.959 0.000 1.368 599 F HN 0.126 nan 8.300 nan 0.000 0.505 600 M N 1.024 120.519 119.600 -0.175 0.000 2.644 600 M HA 0.407 4.888 4.480 0.001 0.000 0.316 600 M C -1.153 175.405 176.300 0.430 0.000 1.200 600 M CA -0.775 54.484 55.300 -0.068 0.000 0.944 600 M CB 1.780 34.043 32.600 -0.562 0.000 1.691 600 M HN 0.694 nan 8.290 nan 0.000 0.471 601 Y N -0.562 120.019 120.300 0.467 0.000 2.553 601 Y HA 0.819 5.370 4.550 0.001 0.000 0.347 601 Y C -1.009 175.129 175.900 0.396 0.000 1.019 601 Y CA -0.992 57.349 58.100 0.400 0.000 1.032 601 Y CB 1.493 40.302 38.460 0.582 0.000 1.284 601 Y HN 0.894 nan 8.280 nan 0.000 0.466 602 H N -0.372 118.865 119.070 0.279 0.000 2.935 602 H HA 0.420 4.977 4.556 0.001 0.000 0.297 602 H C -1.671 173.776 175.328 0.198 0.000 1.423 602 H CA -1.491 54.629 56.048 0.120 0.000 1.161 602 H CB 0.540 30.320 29.762 0.031 0.000 1.841 602 H HN 1.096 nan 8.280 nan 0.000 0.506 603 C N 1.509 120.969 119.300 0.267 0.000 2.644 603 C HA 0.138 4.599 4.460 0.001 0.000 0.417 603 C C 1.107 176.327 174.990 0.384 0.000 1.304 603 C CA -0.050 59.130 59.018 0.270 0.000 2.035 603 C CB -0.691 27.216 27.740 0.279 0.000 2.673 603 C HN 0.975 nan 8.230 nan 0.000 0.602 604 H N 4.461 123.682 119.070 0.252 0.000 2.537 604 H HA 0.272 4.828 4.556 0.001 0.000 0.295 604 H C -0.088 175.310 175.328 0.116 0.000 1.054 604 H CA 0.228 56.419 56.048 0.238 0.000 1.156 604 H CB 0.042 29.928 29.762 0.206 0.000 1.468 604 H HN 0.562 nan 8.280 nan 0.000 0.551 605 L N 2.093 123.406 121.223 0.149 0.000 2.283 605 L HA 0.091 4.432 4.340 0.001 0.000 0.287 605 L C 1.495 178.289 176.870 -0.127 0.000 1.073 605 L CA -0.244 54.576 54.840 -0.034 0.000 0.822 605 L CB 1.368 43.324 42.059 -0.172 0.000 1.186 605 L HN 0.164 nan 8.230 nan 0.000 0.436 606 L N 1.793 122.917 121.223 -0.166 0.000 2.131 606 L HA -0.199 4.142 4.340 0.001 0.000 0.210 606 L C 1.978 178.694 176.870 -0.256 0.000 1.092 606 L CA 1.072 55.768 54.840 -0.240 0.000 0.759 606 L CB -0.225 41.679 42.059 -0.259 0.000 0.903 606 L HN 0.652 nan 8.230 nan 0.000 0.435 607 E N -0.521 119.533 120.200 -0.243 0.000 2.110 607 E HA -0.190 4.160 4.350 0.001 0.000 0.193 607 E C 1.999 178.547 176.600 -0.086 0.000 0.988 607 E CA 1.286 57.565 56.400 -0.202 0.000 0.804 607 E CB -0.354 29.256 29.700 -0.151 0.000 0.745 607 E HN 0.591 nan 8.360 nan 0.000 0.458 608 H N -0.504 118.532 119.070 -0.058 0.000 2.428 608 H HA 0.027 4.584 4.556 0.001 0.000 0.296 608 H C 2.021 177.297 175.328 -0.086 0.000 1.062 608 H CA 0.877 56.909 56.048 -0.026 0.000 1.350 608 H CB 0.240 30.052 29.762 0.082 0.000 1.403 608 H HN 0.182 nan 8.280 nan 0.000 0.533 609 E N 0.929 121.121 120.200 -0.014 0.000 2.077 609 E HA -0.189 4.162 4.350 0.001 0.000 0.193 609 E C 1.127 177.586 176.600 -0.235 0.000 0.989 609 E CA 1.251 57.558 56.400 -0.154 0.000 0.800 609 E CB 0.147 29.678 29.700 -0.283 0.000 0.746 609 E HN 0.389 nan 8.360 nan 0.000 0.452 610 D N -0.334 119.918 120.400 -0.247 0.000 2.348 610 D HA -0.052 4.589 4.640 0.001 0.000 0.216 610 D C 0.598 176.777 176.300 -0.202 0.000 0.970 610 D CA 0.800 54.642 54.000 -0.265 0.000 0.889 610 D CB 0.151 40.743 40.800 -0.347 0.000 0.912 610 D HN 0.243 nan 8.370 nan 0.000 0.524 611 M N -1.040 118.457 119.600 -0.171 0.000 2.972 611 M HA 0.269 4.750 4.480 0.001 0.000 0.323 611 M C 0.826 177.044 176.300 -0.137 0.000 1.213 611 M CA -0.201 54.981 55.300 -0.195 0.000 0.935 611 M CB 1.217 33.630 32.600 -0.312 0.000 1.289 611 M HN 0.038 nan 8.290 nan 0.000 0.525 612 G N 1.019 109.763 108.800 -0.093 0.000 2.199 612 G HA2 -0.297 3.664 3.960 0.001 0.000 0.254 612 G HA3 -0.297 3.664 3.960 0.001 0.000 0.254 612 G C 0.397 175.306 174.900 0.014 0.000 0.982 612 G CA 0.100 45.195 45.100 -0.009 0.000 0.632 612 G HN 0.541 nan 8.290 nan 0.000 0.529 613 M N 0.948 120.540 119.600 -0.014 0.000 3.709 613 M HA 0.733 5.214 4.480 0.001 0.000 0.202 613 M C 0.178 176.487 176.300 0.016 0.000 1.360 613 M CA 0.179 55.485 55.300 0.011 0.000 1.600 613 M CB -0.318 32.289 32.600 0.013 0.000 1.061 613 M HN 0.391 nan 8.290 nan 0.000 0.575 614 M N 0.928 120.527 119.600 -0.001 0.000 2.520 614 M HA 0.563 5.044 4.480 0.001 0.000 0.283 614 M C -1.757 174.570 176.300 0.045 0.000 1.237 614 M CA -0.697 54.592 55.300 -0.019 0.000 0.885 614 M CB 1.864 34.351 32.600 -0.188 0.000 1.727 614 M HN 0.174 nan 8.290 nan 0.000 0.468 615 R N 2.950 123.378 120.500 -0.120 0.000 2.604 615 R HA 0.616 4.957 4.340 0.001 0.000 0.281 615 R C -2.936 173.449 176.300 0.141 0.000 1.020 615 R CA -1.626 54.392 56.100 -0.137 0.000 0.899 615 R CB 2.176 32.108 30.300 -0.614 0.000 1.205 615 R HN 0.432 nan 8.270 nan 0.000 0.450 616 P HA 0.301 nan 4.420 nan 0.000 0.277 616 P C -0.886 176.703 177.300 0.483 0.000 1.240 616 P CA -0.164 63.148 63.100 0.354 0.000 0.798 616 P CB 0.496 32.325 31.700 0.216 0.000 0.979 617 F N -0.053 120.136 119.950 0.398 0.000 2.613 617 F HA 0.741 5.269 4.527 0.001 0.000 0.314 617 F C -1.687 174.322 175.800 0.348 0.000 1.075 617 F CA -1.436 56.798 58.000 0.391 0.000 0.945 617 F CB 1.049 40.388 39.000 0.565 0.000 1.310 617 F HN 0.024 nan 8.300 nan 0.000 0.467 618 V N 2.555 122.744 119.914 0.458 0.000 2.604 618 V HA 0.720 4.841 4.120 0.001 0.000 0.305 618 V C -0.865 175.467 176.094 0.396 0.000 1.043 618 V CA -0.812 61.661 62.300 0.289 0.000 0.888 618 V CB 1.843 33.756 31.823 0.150 0.000 0.995 618 V HN 0.802 nan 8.190 nan 0.000 0.429 619 V N 5.974 126.132 119.914 0.406 0.000 2.656 619 V HA 0.714 4.835 4.120 0.001 0.000 0.307 619 V C -0.281 176.046 176.094 0.388 0.000 1.051 619 V CA -0.448 62.093 62.300 0.401 0.000 0.893 619 V CB 1.706 33.816 31.823 0.479 0.000 0.999 619 V HN 0.977 nan 8.190 nan 0.000 0.426 620 M N 4.094 123.899 119.600 0.342 0.000 2.578 620 M HA 0.749 5.230 4.480 0.001 0.000 0.276 620 M C -3.210 173.240 176.300 0.251 0.000 1.245 620 M CA -2.000 53.460 55.300 0.267 0.000 0.871 620 M CB 2.585 35.257 32.600 0.121 0.000 1.722 620 M HN 0.270 nan 8.290 nan 0.000 0.473 621 P HA 0.198 nan 4.420 nan 0.000 0.266 621 P C -2.248 175.116 177.300 0.107 0.000 1.195 621 P CA -0.648 62.527 63.100 0.126 0.000 0.768 621 P CB -0.180 31.481 31.700 -0.064 0.000 0.838 622 P HA -0.205 nan 4.420 nan 0.000 0.217 622 P C 1.057 178.381 177.300 0.039 0.000 1.148 622 P CA 1.577 64.721 63.100 0.072 0.000 0.828 622 P CB -0.011 31.729 31.700 0.068 0.000 0.783 623 E N -0.585 119.646 120.200 0.051 0.000 2.150 623 E HA -0.085 4.266 4.350 0.001 0.000 0.193 623 E C 2.089 178.748 176.600 0.098 0.000 0.985 623 E CA 1.391 57.822 56.400 0.051 0.000 0.814 623 E CB -0.953 28.796 29.700 0.080 0.000 0.752 623 E HN 0.182 nan 8.360 nan 0.000 0.466 624 A N 0.233 123.129 122.820 0.127 0.000 2.016 624 A HA -0.032 4.289 4.320 0.001 0.000 0.217 624 A C 1.969 179.653 177.584 0.166 0.000 1.162 624 A CA 0.433 52.605 52.037 0.225 0.000 0.662 624 A CB -0.323 18.735 19.000 0.096 0.000 0.812 624 A HN 0.199 nan 8.150 nan 0.000 0.450 625 L N 0.114 121.374 121.223 0.060 0.000 2.079 625 L HA -0.155 4.186 4.340 0.001 0.000 0.210 625 L C 2.159 178.988 176.870 -0.069 0.000 1.081 625 L CA 1.743 56.595 54.840 0.020 0.000 0.752 625 L CB -0.390 41.679 42.059 0.017 0.000 0.896 625 L HN 0.236 nan 8.230 nan 0.000 0.433 626 K N -0.960 119.312 120.400 -0.214 0.000 2.281 626 K HA -0.149 4.172 4.320 0.001 0.000 0.203 626 K C 1.379 177.620 176.600 -0.597 0.000 1.046 626 K CA 1.243 57.259 56.287 -0.451 0.000 0.938 626 K CB -0.293 31.811 32.500 -0.660 0.000 0.737 626 K HN 0.342 nan 8.250 nan 0.000 0.458 627 F N 0.567 120.516 119.950 -0.002 0.000 2.641 627 F HA 0.198 4.726 4.527 0.001 0.000 0.302 627 F C -0.119 175.678 175.800 -0.004 0.000 1.098 627 F CA -0.439 57.558 58.000 -0.005 0.000 1.318 627 F CB 0.285 39.278 39.000 -0.012 0.000 1.035 627 F HN -0.123 nan 8.300 nan 0.000 0.551 628 D N 0.000 120.447 120.400 0.079 0.000 6.856 628 D HA 0.000 4.641 4.640 0.001 0.000 0.175 628 D CA 0.000 54.033 54.000 0.056 0.000 0.868 628 D CB 0.000 40.838 40.800 0.064 0.000 0.688 628 D HN 0.000 nan 8.370 nan 0.000 0.683