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 1tez_1_A DATA FIRST_RESID 2 DATA SEQUENCE AAPILFWHRR DLRLSDNIGL AAARAQSAQL IGLFCLDPQI LQSADMAPAR DATA SEQUENCE VAYLQGCLQE LQQRYQQAGS RLLLLQGDPQ HLIPQLAQQL QAEAVYWNQD DATA SEQUENCE IEPYGRDRDG QVAAALKTAG IRAVQLWDQL LHSPDQILSG SGNPYSVYGP DATA SEQUENCE FWKNWQAQPK PTPVATPTEL VDLSPEQLTA IAPLLLSELP TLKQLGFDWD DATA SEQUENCE GGFPVEPGET AAIARLQEFC DRAIADYDPQ RNFPAEAGTS GLSPALKFGA DATA SEQUENCE IGIRQAWQAA SAAHALSRSD EARNSIRVWQ QELAWREFYQ HALYHFPSLA DATA SEQUENCE DGPYRSLWQQ FPWENREALF TAWTQAQTGY PIVDAAMRQL TETGWMHNRC DATA SEQUENCE RMIVASFLTK DLIIDWRRGE QFFMQHLVDG DLAANNGGWQ WSASSGMDPK DATA SEQUENCE PLRIFNPASQ AKKFDATATY IKRWLPELRH VHPKDLISGE ITPIERRGYP DATA SEQUENCE APIVNHNLRQ KQFKALYNQL KAAI 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.598 177.584 0.023 0.000 1.274 2 A CA 0.000 52.049 52.037 0.020 0.000 0.836 2 A CB 0.000 19.010 19.000 0.017 0.000 0.831 3 A N 1.745 124.581 122.820 0.027 0.000 2.312 3 A HA 0.747 5.067 4.320 0.000 0.000 0.326 3 A C -2.679 174.928 177.584 0.037 0.000 1.172 3 A CA -1.650 50.406 52.037 0.031 0.000 0.821 3 A CB 0.427 19.447 19.000 0.034 0.000 1.166 3 A HN 0.178 nan 8.150 nan 0.000 0.493 4 P HA 0.403 nan 4.420 nan 0.000 0.274 4 P C -0.835 176.502 177.300 0.063 0.000 1.237 4 P CA -0.030 63.098 63.100 0.047 0.000 0.793 4 P CB 0.869 32.595 31.700 0.044 0.000 0.977 5 I N 1.676 122.288 120.570 0.070 0.000 2.404 5 I HA 0.308 4.479 4.170 0.000 0.000 0.293 5 I C 0.238 176.432 176.117 0.128 0.000 0.992 5 I CA -0.983 60.375 61.300 0.097 0.000 1.149 5 I CB 1.407 39.432 38.000 0.042 0.000 1.315 5 I HN 0.114 nan 8.210 nan 0.000 0.446 6 L N 5.956 127.280 121.223 0.168 0.000 2.309 6 L HA 0.427 4.767 4.340 0.000 0.000 0.282 6 L C -0.864 176.172 176.870 0.276 0.000 1.036 6 L CA -0.508 54.441 54.840 0.182 0.000 0.806 6 L CB 1.491 43.622 42.059 0.121 0.000 1.220 6 L HN 0.424 nan 8.230 nan 0.000 0.429 7 F N 2.963 123.025 119.950 0.187 0.000 2.449 7 F HA 0.345 4.872 4.527 0.001 0.000 0.342 7 F C -0.844 175.106 175.800 0.251 0.000 1.127 7 F CA -0.736 57.391 58.000 0.211 0.000 0.975 7 F CB 1.106 40.175 39.000 0.115 0.000 1.146 7 F HN 0.410 nan 8.300 nan 0.000 0.444 8 W N 8.817 129.712 121.300 -0.675 0.000 2.311 8 W HA 0.318 4.979 4.660 0.000 0.000 0.317 8 W C -0.835 175.408 176.519 -0.460 0.000 1.065 8 W CA -0.861 56.245 57.345 -0.400 0.000 1.364 8 W CB -0.108 29.161 29.460 -0.319 0.000 1.233 8 W HN 0.475 nan 8.180 nan 0.000 0.409 9 H N 5.879 125.071 119.070 0.204 0.000 2.525 9 H HA 0.281 4.837 4.556 0.000 0.000 0.339 9 H C 0.230 175.582 175.328 0.041 0.000 1.109 9 H CA 0.202 56.413 56.048 0.271 0.000 1.352 9 H CB 1.796 31.894 29.762 0.560 0.000 1.461 9 H HN 0.422 nan 8.280 nan 0.000 0.533 10 R N 0.671 121.250 120.500 0.131 0.000 3.749 10 R HA 0.099 4.440 4.340 0.000 0.000 0.142 10 R C 0.644 177.144 176.300 0.333 0.000 0.750 10 R CA 0.171 56.293 56.100 0.036 0.000 1.004 10 R CB 0.439 30.504 30.300 -0.391 0.000 1.509 10 R HN 0.502 nan 8.270 nan 0.000 0.494 11 R N 1.139 121.782 120.500 0.238 0.000 2.698 11 R HA 0.281 4.621 4.340 0.000 0.000 0.422 11 R C -1.178 175.297 176.300 0.291 0.000 1.073 11 R CA -0.128 56.142 56.100 0.284 0.000 1.054 11 R CB 0.306 30.679 30.300 0.122 0.000 1.373 11 R HN 0.084 nan 8.270 nan 0.000 0.593 12 D N 0.987 121.607 120.400 0.367 0.000 2.945 12 D HA 0.072 4.712 4.640 0.000 0.000 0.340 12 D C -0.131 176.432 176.300 0.437 0.000 1.240 12 D CA -0.525 53.696 54.000 0.369 0.000 0.749 12 D CB -0.026 41.004 40.800 0.384 0.000 1.217 12 D HN 0.217 nan 8.370 nan 0.000 0.514 13 L N 1.723 123.131 121.223 0.308 0.000 2.416 13 L HA 0.293 4.633 4.340 0.000 0.000 0.243 13 L C 0.622 177.524 176.870 0.053 0.000 1.373 13 L CA 0.065 54.986 54.840 0.134 0.000 1.227 13 L CB -0.827 41.260 42.059 0.046 0.000 1.428 13 L HN 0.235 nan 8.230 nan 0.000 0.425 14 R N -0.202 120.347 120.500 0.082 0.000 2.712 14 R HA 0.367 4.708 4.340 0.000 0.000 0.272 14 R C -0.733 175.588 176.300 0.035 0.000 1.032 14 R CA -1.029 55.090 56.100 0.032 0.000 0.874 14 R CB 1.055 31.394 30.300 0.065 0.000 1.256 14 R HN -0.052 nan 8.270 nan 0.000 0.468 15 L N 0.718 121.908 121.223 -0.054 0.000 2.470 15 L HA 0.230 4.570 4.340 0.000 0.000 0.219 15 L C 0.415 177.238 176.870 -0.079 0.000 1.071 15 L CA 1.094 55.863 54.840 -0.118 0.000 0.850 15 L CB 0.480 42.405 42.059 -0.223 0.000 1.040 15 L HN 0.828 nan 8.230 nan 0.000 0.475 16 S N -1.178 114.499 115.700 -0.039 0.000 2.617 16 S HA 0.208 4.678 4.470 0.000 0.000 0.269 16 S C 0.387 174.992 174.600 0.007 0.000 1.292 16 S CA -0.317 57.872 58.200 -0.018 0.000 1.010 16 S CB 0.870 64.069 63.200 -0.002 0.000 0.944 16 S HN 0.295 nan 8.310 nan 0.000 0.536 17 D N 0.595 121.001 120.400 0.010 0.000 2.779 17 D HA -0.235 4.406 4.640 0.000 0.000 0.223 17 D C -0.716 175.606 176.300 0.036 0.000 1.227 17 D CA 0.782 54.800 54.000 0.030 0.000 0.653 17 D CB -1.462 39.373 40.800 0.057 0.000 0.973 17 D HN 0.626 nan 8.370 nan 0.000 0.402 18 N N 1.841 120.542 118.700 0.002 0.000 2.524 18 N HA 0.112 4.852 4.740 0.000 0.000 0.261 18 N C 1.293 176.790 175.510 -0.022 0.000 0.998 18 N CA -0.767 52.281 53.050 -0.003 0.000 0.915 18 N CB 0.615 39.062 38.487 -0.067 0.000 1.187 18 N HN -0.012 nan 8.380 nan 0.000 0.507 19 I N 2.412 123.006 120.570 0.041 0.000 2.091 19 I HA -0.194 3.977 4.170 0.000 0.000 0.239 19 I C 2.273 178.433 176.117 0.072 0.000 1.061 19 I CA 1.667 63.001 61.300 0.057 0.000 1.317 19 I CB -1.459 36.596 38.000 0.092 0.000 1.031 19 I HN 0.613 nan 8.210 nan 0.000 0.401 20 G N 0.421 109.310 108.800 0.148 0.000 2.422 20 G HA2 -0.223 3.737 3.960 0.000 0.000 0.218 20 G HA3 -0.223 3.737 3.960 0.000 0.000 0.218 20 G C 1.763 176.750 174.900 0.146 0.000 1.146 20 G CA 0.539 45.837 45.100 0.329 0.000 0.769 20 G HN 0.307 nan 8.290 nan 0.000 0.547 21 L N 1.172 122.155 121.223 -0.400 0.000 2.072 21 L HA 0.254 4.594 4.340 0.000 0.000 0.205 21 L C 3.063 179.767 176.870 -0.276 0.000 1.079 21 L CA 1.957 56.379 54.840 -0.697 0.000 0.752 21 L CB -0.669 40.883 42.059 -0.844 0.000 0.906 21 L HN 0.217 nan 8.230 nan 0.000 0.436 22 A N -0.590 122.132 122.820 -0.162 0.000 1.902 22 A HA -0.098 4.223 4.320 0.000 0.000 0.217 22 A C 2.438 179.979 177.584 -0.072 0.000 1.181 22 A CA 1.705 53.686 52.037 -0.094 0.000 0.623 22 A CB -1.106 17.864 19.000 -0.050 0.000 0.818 22 A HN 0.531 nan 8.150 nan 0.000 0.443 23 A N -0.115 122.690 122.820 -0.025 0.000 1.902 23 A HA 0.149 4.470 4.320 0.000 0.000 0.217 23 A C 2.497 179.988 177.584 -0.155 0.000 1.181 23 A CA 2.111 54.162 52.037 0.023 0.000 0.623 23 A CB -0.982 18.138 19.000 0.201 0.000 0.818 23 A HN 1.045 nan 8.150 nan 0.000 0.443 24 A N -0.352 122.228 122.820 -0.400 0.000 1.898 24 A HA -0.125 4.196 4.320 0.000 0.000 0.216 24 A C 2.163 179.547 177.584 -0.333 0.000 1.181 24 A CA 2.017 53.587 52.037 -0.778 0.000 0.620 24 A CB -0.420 18.195 19.000 -0.641 0.000 0.819 24 A HN 0.439 nan 8.150 nan 0.000 0.442 25 R N 0.373 120.757 120.500 -0.192 0.000 2.120 25 R HA -0.010 4.330 4.340 0.000 0.000 0.234 25 R C 1.944 178.196 176.300 -0.080 0.000 1.123 25 R CA 1.708 57.744 56.100 -0.107 0.000 0.975 25 R CB -0.824 29.425 30.300 -0.085 0.000 0.866 25 R HN 0.390 nan 8.270 nan 0.000 0.446 26 A N -0.187 122.586 122.820 -0.079 0.000 2.121 26 A HA -0.086 4.234 4.320 0.000 0.000 0.218 26 A C 1.653 179.217 177.584 -0.033 0.000 1.154 26 A CA 1.050 53.063 52.037 -0.040 0.000 0.679 26 A CB -0.191 18.797 19.000 -0.020 0.000 0.795 26 A HN 0.329 nan 8.150 nan 0.000 0.458 27 Q N -1.062 118.701 119.800 -0.063 0.000 2.339 27 Q HA 0.169 4.509 4.340 0.000 0.000 0.205 27 Q C 0.345 176.330 176.000 -0.025 0.000 0.925 27 Q CA 0.916 56.700 55.803 -0.032 0.000 0.898 27 Q CB 0.410 29.128 28.738 -0.032 0.000 1.013 27 Q HN 0.502 nan 8.270 nan 0.000 0.504 28 S N -1.959 113.716 115.700 -0.042 0.000 2.543 28 S HA 0.569 5.039 4.470 0.000 0.000 0.274 28 S C -0.662 173.930 174.600 -0.012 0.000 1.149 28 S CA 0.065 58.255 58.200 -0.016 0.000 0.866 28 S CB 1.246 64.444 63.200 -0.002 0.000 1.111 28 S HN 0.063 nan 8.310 nan 0.000 0.457 29 A N 2.252 125.074 122.820 0.003 0.000 2.081 29 A HA 0.235 4.555 4.320 0.000 0.000 0.214 29 A C 1.158 178.759 177.584 0.030 0.000 1.158 29 A CA 0.547 52.591 52.037 0.012 0.000 0.724 29 A CB -0.342 18.664 19.000 0.011 0.000 0.826 29 A HN 0.757 nan 8.150 nan 0.000 0.463 30 Q N 0.621 120.440 119.800 0.032 0.000 3.181 30 Q HA 0.359 4.699 4.340 0.000 0.000 0.293 30 Q C -1.178 174.859 176.000 0.061 0.000 1.406 30 Q CA -0.349 55.481 55.803 0.046 0.000 1.026 30 Q CB -0.295 28.466 28.738 0.038 0.000 1.630 30 Q HN 0.354 nan 8.270 nan 0.000 0.553 31 L N 3.963 125.236 121.223 0.083 0.000 2.265 31 L HA 0.422 4.762 4.340 0.000 0.000 0.289 31 L C -1.215 175.767 176.870 0.188 0.000 1.033 31 L CA -0.401 54.513 54.840 0.123 0.000 0.814 31 L CB 0.957 43.082 42.059 0.110 0.000 1.203 31 L HN 0.334 nan 8.230 nan 0.000 0.423 32 I N 4.883 125.545 120.570 0.154 0.000 2.378 32 I HA 0.453 4.623 4.170 0.000 0.000 0.291 32 I C 0.877 177.025 176.117 0.051 0.000 0.992 32 I CA -0.450 60.897 61.300 0.080 0.000 1.154 32 I CB 1.028 39.053 38.000 0.042 0.000 1.315 32 I HN 0.666 nan 8.210 nan 0.000 0.448 33 G N 5.637 114.255 108.800 -0.303 0.000 2.507 33 G HA2 0.530 4.490 3.960 0.000 0.000 0.271 33 G HA3 0.530 4.490 3.960 0.000 0.000 0.271 33 G C -1.093 173.788 174.900 -0.032 0.000 1.189 33 G CA -0.215 44.744 45.100 -0.236 0.000 0.859 33 G HN 0.510 nan 8.290 nan 0.000 0.542 34 L N 0.527 121.897 121.223 0.245 0.000 2.482 34 L HA 0.855 5.195 4.340 0.000 0.000 0.263 34 L C -1.933 175.189 176.870 0.420 0.000 0.957 34 L CA -1.094 53.873 54.840 0.212 0.000 0.836 34 L CB 2.099 44.213 42.059 0.090 0.000 1.324 34 L HN 0.486 nan 8.230 nan 0.000 0.406 35 F N 4.788 124.855 119.950 0.194 0.000 2.561 35 F HA 0.631 5.158 4.527 0.000 0.000 0.313 35 F C -1.169 174.728 175.800 0.162 0.000 1.126 35 F CA -0.630 57.524 58.000 0.257 0.000 0.918 35 F CB 1.617 40.727 39.000 0.184 0.000 1.199 35 F HN 0.761 nan 8.300 nan 0.000 0.444 36 C N 8.507 127.587 119.300 -0.367 0.000 2.293 36 C HA 0.581 5.041 4.460 0.000 0.000 0.323 36 C C -0.369 174.523 174.990 -0.163 0.000 1.240 36 C CA -0.889 58.026 59.018 -0.171 0.000 1.497 36 C CB -0.777 26.844 27.740 -0.199 0.000 2.171 36 C HN 0.783 nan 8.230 nan 0.000 0.465 37 L N 5.732 127.036 121.223 0.134 0.000 2.530 37 L HA 0.188 4.529 4.340 0.000 0.000 0.273 37 L C 0.356 177.297 176.870 0.118 0.000 1.141 37 L CA 0.619 55.600 54.840 0.236 0.000 0.905 37 L CB 0.056 42.266 42.059 0.251 0.000 1.202 37 L HN 0.655 nan 8.230 nan 0.000 0.473 38 D N 6.118 126.586 120.400 0.113 0.000 2.373 38 D HA 0.221 4.862 4.640 0.000 0.000 0.227 38 D C -1.686 174.666 176.300 0.086 0.000 1.091 38 D CA -2.135 51.921 54.000 0.093 0.000 0.840 38 D CB 1.959 42.828 40.800 0.115 0.000 1.060 38 D HN 0.153 nan 8.370 nan 0.000 0.502 39 P HA -0.152 nan 4.420 nan 0.000 0.216 39 P C 1.166 178.479 177.300 0.022 0.000 1.150 39 P CA 1.203 64.338 63.100 0.060 0.000 0.843 39 P CB 0.309 32.040 31.700 0.052 0.000 0.787 40 Q N -1.213 118.582 119.800 -0.009 0.000 2.226 40 Q HA -0.118 4.222 4.340 0.000 0.000 0.204 40 Q C 1.966 177.834 176.000 -0.219 0.000 0.975 40 Q CA 1.061 56.794 55.803 -0.117 0.000 0.866 40 Q CB -0.366 28.278 28.738 -0.156 0.000 0.915 40 Q HN 0.372 nan 8.270 nan 0.000 0.440 41 I N -0.550 119.933 120.570 -0.146 0.000 2.685 41 I HA -0.162 4.009 4.170 0.000 0.000 0.251 41 I C 1.957 178.077 176.117 0.006 0.000 1.102 41 I CA 0.362 61.594 61.300 -0.114 0.000 1.442 41 I CB -0.064 37.915 38.000 -0.035 0.000 1.194 41 I HN 0.094 nan 8.210 nan 0.000 0.448 42 L N 0.424 121.692 121.223 0.075 0.000 2.127 42 L HA -0.203 4.137 4.340 0.000 0.000 0.211 42 L C 1.784 178.781 176.870 0.212 0.000 1.089 42 L CA 1.483 56.418 54.840 0.159 0.000 0.757 42 L CB -0.385 41.798 42.059 0.206 0.000 0.899 42 L HN 0.352 nan 8.230 nan 0.000 0.434 43 Q N -0.994 118.876 119.800 0.116 0.000 2.204 43 Q HA 0.106 4.446 4.340 0.000 0.000 0.209 43 Q C 0.630 176.662 176.000 0.053 0.000 0.861 43 Q CA -0.291 55.568 55.803 0.093 0.000 0.971 43 Q CB 0.760 29.529 28.738 0.051 0.000 1.095 43 Q HN 0.261 nan 8.270 nan 0.000 0.486 44 S N -0.343 115.379 115.700 0.036 0.000 2.584 44 S HA 0.239 4.709 4.470 0.000 0.000 0.270 44 S C 1.226 175.842 174.600 0.027 0.000 1.346 44 S CA 0.246 58.447 58.200 0.002 0.000 1.018 44 S CB 1.154 64.334 63.200 -0.033 0.000 0.899 44 S HN 0.400 nan 8.310 nan 0.000 0.542 45 A N 2.353 125.180 122.820 0.012 0.000 2.015 45 A HA -0.005 4.315 4.320 0.000 0.000 0.219 45 A C 0.957 178.553 177.584 0.021 0.000 1.163 45 A CA 1.515 53.565 52.037 0.021 0.000 0.646 45 A CB -0.749 18.258 19.000 0.012 0.000 0.806 45 A HN 0.949 nan 8.150 nan 0.000 0.448 46 D N -1.473 118.932 120.400 0.008 0.000 3.072 46 D HA 0.411 5.051 4.640 0.000 0.000 0.250 46 D C -0.133 176.161 176.300 -0.010 0.000 1.304 46 D CA -0.212 53.788 54.000 0.001 0.000 0.861 46 D CB -0.079 40.723 40.800 0.002 0.000 1.062 46 D HN 0.172 nan 8.370 nan 0.000 0.481 47 M N 1.291 120.891 119.600 -0.000 0.000 2.436 47 M HA 0.676 5.157 4.480 0.000 0.000 0.331 47 M C -1.385 174.868 176.300 -0.079 0.000 1.135 47 M CA -1.239 54.049 55.300 -0.021 0.000 0.987 47 M CB 1.905 34.539 32.600 0.057 0.000 1.687 47 M HN 0.161 nan 8.290 nan 0.000 0.445 48 A N 6.369 129.086 122.820 -0.171 0.000 2.330 48 A HA 0.792 5.112 4.320 0.000 0.000 0.327 48 A C -2.247 175.140 177.584 -0.327 0.000 1.155 48 A CA -1.361 50.526 52.037 -0.250 0.000 0.803 48 A CB 0.625 19.466 19.000 -0.266 0.000 1.208 48 A HN 0.758 nan 8.150 nan 0.000 0.477 49 P HA -0.160 nan 4.420 nan 0.000 0.218 49 P C 1.422 178.462 177.300 -0.433 0.000 1.149 49 P CA 1.905 64.895 63.100 -0.183 0.000 0.817 49 P CB 0.179 32.013 31.700 0.222 0.000 0.785 50 A N 0.343 122.629 122.820 -0.890 0.000 1.933 50 A HA -0.170 4.150 4.320 0.000 0.000 0.218 50 A C 2.524 179.850 177.584 -0.430 0.000 1.175 50 A CA 1.546 52.759 52.037 -1.373 0.000 0.628 50 A CB -1.215 16.762 19.000 -1.705 0.000 0.814 50 A HN 0.063 nan 8.150 nan 0.000 0.444 51 R N -0.563 119.762 120.500 -0.292 0.000 2.075 51 R HA -0.058 4.282 4.340 0.000 0.000 0.232 51 R C 1.851 178.116 176.300 -0.059 0.000 1.126 51 R CA 1.567 57.646 56.100 -0.035 0.000 0.963 51 R CB -0.300 30.007 30.300 0.012 0.000 0.858 51 R HN 0.300 nan 8.270 nan 0.000 0.435 52 V N 0.784 120.543 119.914 -0.257 0.000 2.515 52 V HA -0.158 3.962 4.120 0.000 0.000 0.250 52 V C 2.343 178.329 176.094 -0.181 0.000 1.058 52 V CA 1.740 63.856 62.300 -0.306 0.000 1.064 52 V CB -0.539 30.851 31.823 -0.721 0.000 0.675 52 V HN 0.500 nan 8.190 nan 0.000 0.461 53 A N -0.741 122.033 122.820 -0.076 0.000 1.898 53 A HA -0.249 4.071 4.320 0.000 0.000 0.216 53 A C 2.162 179.754 177.584 0.014 0.000 1.181 53 A CA 1.940 54.050 52.037 0.120 0.000 0.620 53 A CB -0.720 18.523 19.000 0.405 0.000 0.819 53 A HN 0.616 nan 8.150 nan 0.000 0.442 54 Y N 0.067 120.264 120.300 -0.171 0.000 2.163 54 Y HA -0.146 4.404 4.550 0.000 0.000 0.288 54 Y C 2.044 177.585 175.900 -0.598 0.000 1.136 54 Y CA 1.777 59.567 58.100 -0.516 0.000 1.147 54 Y CB -0.307 37.933 38.460 -0.368 0.000 0.987 54 Y HN 0.267 nan 8.280 nan 0.000 0.509 55 L N 0.676 121.524 121.223 -0.625 0.000 1.989 55 L HA -0.249 4.091 4.340 0.000 0.000 0.211 55 L C 2.438 178.964 176.870 -0.574 0.000 1.071 55 L CA 2.260 56.593 54.840 -0.845 0.000 0.749 55 L CB -1.279 40.398 42.059 -0.637 0.000 0.890 55 L HN 0.345 nan 8.230 nan 0.000 0.431 56 Q N -0.141 119.434 119.800 -0.376 0.000 2.096 56 Q HA -0.181 4.159 4.340 0.000 0.000 0.204 56 Q C 2.052 177.872 176.000 -0.300 0.000 0.982 56 Q CA 2.003 57.645 55.803 -0.268 0.000 0.850 56 Q CB -0.645 28.018 28.738 -0.126 0.000 0.901 56 Q HN 0.693 nan 8.270 nan 0.000 0.422 57 G N -0.070 108.509 108.800 -0.367 0.000 2.422 57 G HA2 -0.242 3.719 3.960 0.000 0.000 0.218 57 G HA3 -0.242 3.719 3.960 0.000 0.000 0.218 57 G C 1.719 176.358 174.900 -0.436 0.000 1.146 57 G CA 0.938 45.810 45.100 -0.381 0.000 0.769 57 G HN 0.458 nan 8.290 nan 0.000 0.547 58 C N 0.255 119.198 119.300 -0.595 0.000 2.425 58 C HA 0.097 4.557 4.460 0.000 0.000 0.277 58 C C 2.883 177.662 174.990 -0.352 0.000 1.280 58 C CA 0.398 59.118 59.018 -0.497 0.000 1.744 58 C CB -0.997 26.408 27.740 -0.559 0.000 1.989 58 C HN 0.422 nan 8.230 nan 0.000 0.491 59 L N 0.120 121.112 121.223 -0.385 0.000 2.093 59 L HA -0.193 4.147 4.340 0.000 0.000 0.208 59 L C 2.831 179.577 176.870 -0.206 0.000 1.085 59 L CA 1.365 56.007 54.840 -0.331 0.000 0.755 59 L CB -0.772 41.032 42.059 -0.426 0.000 0.904 59 L HN 0.466 nan 8.230 nan 0.000 0.435 60 Q N -0.194 119.491 119.800 -0.193 0.000 2.084 60 Q HA -0.282 4.058 4.340 0.000 0.000 0.202 60 Q C 2.109 178.047 176.000 -0.103 0.000 0.978 60 Q CA 1.835 57.564 55.803 -0.124 0.000 0.844 60 Q CB -0.069 28.600 28.738 -0.115 0.000 0.898 60 Q HN 0.511 nan 8.270 nan 0.000 0.426 61 E N 0.347 120.468 120.200 -0.133 0.000 2.107 61 E HA -0.178 4.172 4.350 0.000 0.000 0.191 61 E C 1.961 178.516 176.600 -0.075 0.000 0.982 61 E CA 0.369 56.707 56.400 -0.102 0.000 0.809 61 E CB 0.077 29.701 29.700 -0.126 0.000 0.756 61 E HN 0.142 nan 8.360 nan 0.000 0.459 62 L N 1.312 122.482 121.223 -0.089 0.000 2.083 62 L HA -0.197 4.144 4.340 0.000 0.000 0.209 62 L C 2.103 179.029 176.870 0.093 0.000 1.083 62 L CA 1.706 56.528 54.840 -0.030 0.000 0.752 62 L CB -0.324 41.685 42.059 -0.083 0.000 0.899 62 L HN 0.163 nan 8.230 nan 0.000 0.433 63 Q N -1.115 118.710 119.800 0.042 0.000 2.050 63 Q HA -0.268 4.073 4.340 0.000 0.000 0.202 63 Q C 2.219 178.271 176.000 0.086 0.000 0.980 63 Q CA 2.046 57.895 55.803 0.076 0.000 0.840 63 Q CB -0.238 28.509 28.738 0.015 0.000 0.898 63 Q HN 0.638 nan 8.270 nan 0.000 0.424 64 Q N -0.015 119.803 119.800 0.030 0.000 2.096 64 Q HA -0.137 4.203 4.340 0.000 0.000 0.204 64 Q C 2.178 178.191 176.000 0.021 0.000 0.982 64 Q CA 0.952 56.766 55.803 0.018 0.000 0.850 64 Q CB -0.009 28.722 28.738 -0.011 0.000 0.901 64 Q HN 0.200 nan 8.270 nan 0.000 0.422 65 R N -0.306 120.193 120.500 -0.000 0.000 2.081 65 R HA -0.144 4.197 4.340 0.000 0.000 0.235 65 R C 1.990 178.252 176.300 -0.062 0.000 1.131 65 R CA 1.352 57.419 56.100 -0.054 0.000 0.960 65 R CB -0.552 29.679 30.300 -0.115 0.000 0.856 65 R HN 0.390 nan 8.270 nan 0.000 0.436 66 Y N 1.631 121.930 120.300 -0.002 0.000 2.242 66 Y HA -0.164 4.386 4.550 0.000 0.000 0.291 66 Y C 2.679 178.590 175.900 0.018 0.000 1.137 66 Y CA 1.398 59.511 58.100 0.022 0.000 1.181 66 Y CB -0.167 38.319 38.460 0.043 0.000 0.989 66 Y HN 0.155 nan 8.280 nan 0.000 0.527 67 Q N -0.799 119.099 119.800 0.163 0.000 2.061 67 Q HA -0.249 4.092 4.340 0.000 0.000 0.204 67 Q C 2.305 178.340 176.000 0.059 0.000 0.984 67 Q CA 2.087 57.947 55.803 0.096 0.000 0.846 67 Q CB -0.345 28.431 28.738 0.063 0.000 0.902 67 Q HN 0.408 nan 8.270 nan 0.000 0.421 68 Q N -0.320 119.500 119.800 0.033 0.000 2.167 68 Q HA -0.041 4.299 4.340 0.000 0.000 0.202 68 Q C 2.111 178.113 176.000 0.004 0.000 0.970 68 Q CA 1.045 56.854 55.803 0.010 0.000 0.855 68 Q CB -0.437 28.297 28.738 -0.007 0.000 0.911 68 Q HN 0.594 nan 8.270 nan 0.000 0.438 69 A N -0.600 122.218 122.820 -0.003 0.000 2.066 69 A HA 0.370 4.690 4.320 0.000 0.000 0.218 69 A C 1.961 179.558 177.584 0.023 0.000 1.157 69 A CA 1.477 53.505 52.037 -0.016 0.000 0.670 69 A CB -0.281 18.674 19.000 -0.075 0.000 0.804 69 A HN 0.816 nan 8.150 nan 0.000 0.453 70 G N -2.101 106.732 108.800 0.054 0.000 2.367 70 G HA2 -0.107 3.853 3.960 0.000 0.000 0.181 70 G HA3 -0.107 3.853 3.960 0.000 0.000 0.181 70 G C 0.746 175.698 174.900 0.086 0.000 1.000 70 G CA 0.828 45.963 45.100 0.059 0.000 0.693 70 G HN 1.452 nan 8.290 nan 0.000 0.480 71 S N -0.078 115.707 115.700 0.142 0.000 4.333 71 S HA 0.882 5.352 4.470 0.000 0.000 0.203 71 S C 0.139 174.829 174.600 0.148 0.000 1.107 71 S CA 0.577 58.865 58.200 0.145 0.000 1.753 71 S CB 1.152 64.458 63.200 0.176 0.000 1.009 71 S HN 1.495 nan 8.310 nan 0.000 0.779 72 R N -0.761 119.815 120.500 0.126 0.000 2.741 72 R HA 0.671 5.011 4.340 0.000 0.000 0.276 72 R C -2.373 173.784 176.300 -0.239 0.000 1.028 72 R CA -0.952 55.169 56.100 0.036 0.000 0.865 72 R CB 0.647 30.957 30.300 0.016 0.000 1.268 72 R HN 0.546 nan 8.270 nan 0.000 0.475 73 L N 2.027 123.128 121.223 -0.203 0.000 2.276 73 L HA 0.460 4.800 4.340 0.000 0.000 0.286 73 L C -1.140 175.676 176.870 -0.090 0.000 1.024 73 L CA -0.587 54.075 54.840 -0.297 0.000 0.826 73 L CB 1.296 43.278 42.059 -0.130 0.000 1.211 73 L HN 0.589 nan 8.230 nan 0.000 0.422 74 L N 5.879 127.065 121.223 -0.063 0.000 2.371 74 L HA 0.377 4.718 4.340 0.000 0.000 0.272 74 L C -0.511 176.391 176.870 0.054 0.000 1.124 74 L CA -0.289 54.550 54.840 -0.003 0.000 0.816 74 L CB 0.787 42.840 42.059 -0.009 0.000 1.129 74 L HN 0.535 nan 8.230 nan 0.000 0.448 75 L N 4.376 125.634 121.223 0.059 0.000 2.333 75 L HA 0.543 4.883 4.340 0.000 0.000 0.280 75 L C -0.777 176.137 176.870 0.073 0.000 1.004 75 L CA -0.582 54.322 54.840 0.106 0.000 0.820 75 L CB 1.776 43.893 42.059 0.095 0.000 1.247 75 L HN 0.365 nan 8.230 nan 0.000 0.416 76 L N 2.743 124.014 121.223 0.079 0.000 2.301 76 L HA 0.590 4.930 4.340 0.000 0.000 0.264 76 L C -0.473 176.431 176.870 0.056 0.000 1.016 76 L CA -0.312 54.545 54.840 0.029 0.000 0.821 76 L CB 1.931 43.967 42.059 -0.039 0.000 1.346 76 L HN 0.518 nan 8.230 nan 0.000 0.429 77 Q N 0.200 120.022 119.800 0.036 0.000 2.269 77 Q HA 0.643 4.983 4.340 0.000 0.000 0.263 77 Q C -0.681 175.338 176.000 0.031 0.000 0.983 77 Q CA -0.076 55.759 55.803 0.053 0.000 0.777 77 Q CB 1.958 30.735 28.738 0.065 0.000 1.273 77 Q HN 0.891 nan 8.270 nan 0.000 0.440 78 G N 2.351 111.170 108.800 0.032 0.000 2.320 78 G HA2 -0.078 3.882 3.960 0.000 0.000 0.274 78 G HA3 -0.078 3.882 3.960 0.000 0.000 0.274 78 G C -1.730 173.184 174.900 0.023 0.000 1.324 78 G CA -0.808 44.309 45.100 0.030 0.000 0.957 78 G HN 0.548 nan 8.290 nan 0.000 0.481 79 D N 1.638 122.062 120.400 0.039 0.000 2.346 79 D HA 0.346 4.986 4.640 0.000 0.000 0.260 79 D C -0.335 175.926 176.300 -0.064 0.000 1.252 79 D CA -1.633 52.385 54.000 0.031 0.000 0.895 79 D CB 1.528 42.394 40.800 0.110 0.000 1.097 79 D HN 0.072 nan 8.370 nan 0.000 0.489 80 P HA -0.206 nan 4.420 nan 0.000 0.219 80 P C 1.328 178.405 177.300 -0.371 0.000 1.146 80 P CA 0.887 63.800 63.100 -0.312 0.000 0.808 80 P CB 0.309 31.806 31.700 -0.337 0.000 0.779 81 Q N -0.980 118.620 119.800 -0.333 0.000 2.181 81 Q HA -0.206 4.134 4.340 0.000 0.000 0.205 81 Q C 1.845 177.544 176.000 -0.501 0.000 0.980 81 Q CA 1.396 56.935 55.803 -0.440 0.000 0.862 81 Q CB -0.132 28.292 28.738 -0.523 0.000 0.905 81 Q HN 0.436 nan 8.270 nan 0.000 0.429 82 H N -1.127 117.869 119.070 -0.123 0.000 2.506 82 H HA 0.095 4.651 4.556 0.000 0.000 0.289 82 H C 2.080 177.333 175.328 -0.126 0.000 1.009 82 H CA 0.458 56.444 56.048 -0.102 0.000 1.303 82 H CB 0.161 29.882 29.762 -0.068 0.000 1.453 82 H HN 0.217 nan 8.280 nan 0.000 0.526 83 L N 0.604 121.795 121.223 -0.053 0.000 2.072 83 L HA -0.109 4.231 4.340 0.000 0.000 0.205 83 L C 2.339 179.094 176.870 -0.192 0.000 1.079 83 L CA 0.639 55.415 54.840 -0.106 0.000 0.752 83 L CB -0.208 41.783 42.059 -0.114 0.000 0.906 83 L HN 0.145 nan 8.230 nan 0.000 0.436 84 I N 0.251 120.624 120.570 -0.329 0.000 2.142 84 I HA -0.155 4.015 4.170 0.000 0.000 0.240 84 I C 0.017 175.987 176.117 -0.245 0.000 1.078 84 I CA 1.744 62.795 61.300 -0.416 0.000 1.343 84 I CB -2.488 35.059 38.000 -0.754 0.000 1.046 84 I HN 0.155 nan 8.210 nan 0.000 0.405 85 P HA -0.179 nan 4.420 nan 0.000 0.217 85 P C 1.798 179.058 177.300 -0.067 0.000 1.150 85 P CA 1.350 64.389 63.100 -0.102 0.000 0.832 85 P CB 0.008 31.661 31.700 -0.079 0.000 0.787 86 Q N -0.401 119.361 119.800 -0.063 0.000 2.050 86 Q HA -0.178 4.162 4.340 0.000 0.000 0.202 86 Q C 1.971 177.943 176.000 -0.047 0.000 0.980 86 Q CA 1.399 57.177 55.803 -0.040 0.000 0.840 86 Q CB -1.219 27.500 28.738 -0.031 0.000 0.898 86 Q HN 0.072 nan 8.270 nan 0.000 0.424 87 L N 0.161 121.341 121.223 -0.071 0.000 2.017 87 L HA -0.031 4.309 4.340 0.000 0.000 0.208 87 L C 2.145 178.988 176.870 -0.044 0.000 1.073 87 L CA 2.296 57.098 54.840 -0.063 0.000 0.745 87 L CB -1.105 40.897 42.059 -0.094 0.000 0.894 87 L HN 0.274 nan 8.230 nan 0.000 0.432 88 A N -1.155 121.635 122.820 -0.050 0.000 1.933 88 A HA -0.251 4.070 4.320 0.000 0.000 0.218 88 A C 2.177 179.756 177.584 -0.007 0.000 1.175 88 A CA 1.894 53.919 52.037 -0.019 0.000 0.628 88 A CB -0.532 18.460 19.000 -0.014 0.000 0.814 88 A HN 0.689 nan 8.150 nan 0.000 0.444 89 Q N -0.774 119.018 119.800 -0.014 0.000 1.994 89 Q HA -0.184 4.157 4.340 0.000 0.000 0.198 89 Q C 2.263 178.260 176.000 -0.004 0.000 0.976 89 Q CA 1.525 57.325 55.803 -0.006 0.000 0.828 89 Q CB -0.255 28.478 28.738 -0.009 0.000 0.894 89 Q HN 0.753 nan 8.270 nan 0.000 0.432 90 Q N 0.087 119.881 119.800 -0.009 0.000 2.297 90 Q HA -0.145 4.195 4.340 0.000 0.000 0.208 90 Q C 1.640 177.639 176.000 -0.002 0.000 0.981 90 Q CA 0.697 56.496 55.803 -0.007 0.000 0.876 90 Q CB 0.051 28.782 28.738 -0.010 0.000 0.921 90 Q HN 0.186 nan 8.270 nan 0.000 0.446 91 L N 0.064 121.286 121.223 -0.001 0.000 2.554 91 L HA 0.049 4.390 4.340 0.000 0.000 0.225 91 L C 0.183 177.060 176.870 0.012 0.000 1.104 91 L CA 0.985 55.828 54.840 0.005 0.000 0.866 91 L CB 0.222 42.285 42.059 0.006 0.000 1.047 91 L HN 0.138 nan 8.230 nan 0.000 0.468 92 Q N -0.457 119.349 119.800 0.011 0.000 2.475 92 Q HA -0.218 4.122 4.340 0.000 0.000 0.280 92 Q C 0.511 176.526 176.000 0.024 0.000 1.234 92 Q CA 0.395 56.206 55.803 0.015 0.000 0.873 92 Q CB -2.100 26.646 28.738 0.014 0.000 1.256 92 Q HN 0.580 nan 8.270 nan 0.000 0.475 93 A N 0.658 123.495 122.820 0.028 0.000 2.520 93 A HA 0.021 4.342 4.320 0.000 0.000 0.235 93 A C 1.182 178.797 177.584 0.051 0.000 1.065 93 A CA 0.497 52.561 52.037 0.045 0.000 0.764 93 A CB 0.450 19.482 19.000 0.053 0.000 1.002 93 A HN 0.396 nan 8.150 nan 0.000 0.502 94 E N 0.430 120.668 120.200 0.064 0.000 2.230 94 E HA 0.225 4.575 4.350 0.000 0.000 0.192 94 E C 0.416 177.069 176.600 0.089 0.000 0.987 94 E CA 1.236 57.676 56.400 0.066 0.000 0.841 94 E CB 0.178 29.918 29.700 0.066 0.000 0.783 94 E HN 0.870 nan 8.360 nan 0.000 0.481 95 A N -0.430 122.467 122.820 0.128 0.000 2.601 95 A HA 0.532 4.853 4.320 0.000 0.000 0.291 95 A C -1.566 176.156 177.584 0.231 0.000 1.075 95 A CA -0.576 51.564 52.037 0.171 0.000 0.671 95 A CB 1.720 20.881 19.000 0.269 0.000 1.277 95 A HN -0.077 nan 8.150 nan 0.000 0.417 96 V N 1.337 121.385 119.914 0.222 0.000 2.483 96 V HA 0.524 4.644 4.120 0.000 0.000 0.297 96 V C -1.456 174.807 176.094 0.281 0.000 1.027 96 V CA -0.405 62.078 62.300 0.304 0.000 0.855 96 V CB 1.157 33.170 31.823 0.317 0.000 0.995 96 V HN 0.754 nan 8.190 nan 0.000 0.424 97 Y N 3.877 124.252 120.300 0.125 0.000 2.420 97 Y HA 0.811 5.361 4.550 0.000 0.000 0.334 97 Y C -0.082 175.754 175.900 -0.107 0.000 1.094 97 Y CA -0.866 57.243 58.100 0.014 0.000 1.126 97 Y CB 1.950 40.543 38.460 0.222 0.000 1.217 97 Y HN 0.837 nan 8.280 nan 0.000 0.462 98 W N 0.945 122.130 121.300 -0.193 0.000 3.057 98 W HA 0.523 5.183 4.660 0.001 0.000 0.328 98 W C -2.216 174.185 176.519 -0.196 0.000 1.232 98 W CA -1.025 56.030 57.345 -0.483 0.000 1.187 98 W CB 0.651 29.821 29.460 -0.484 0.000 1.417 98 W HN 0.232 nan 8.180 nan 0.000 0.569 99 N N 2.361 121.149 118.700 0.146 0.000 2.438 99 N HA 0.215 4.955 4.740 0.000 0.000 0.282 99 N C -0.411 175.083 175.510 -0.027 0.000 1.037 99 N CA -0.649 52.432 53.050 0.052 0.000 0.942 99 N CB 1.532 40.115 38.487 0.160 0.000 1.136 99 N HN 0.524 nan 8.380 nan 0.000 0.481 100 Q N 0.563 120.161 119.800 -0.336 0.000 2.432 100 Q HA 0.067 4.407 4.340 0.000 0.000 0.264 100 Q C -0.510 175.272 176.000 -0.363 0.000 1.035 100 Q CA 0.414 55.897 55.803 -0.534 0.000 0.908 100 Q CB 0.702 28.601 28.738 -1.398 0.000 1.280 100 Q HN 0.516 nan 8.270 nan 0.000 0.455 101 D N -0.018 120.274 120.400 -0.179 0.000 2.553 101 D HA 0.259 4.899 4.640 0.000 0.000 0.249 101 D C 0.003 176.448 176.300 0.243 0.000 1.062 101 D CA -0.693 53.342 54.000 0.058 0.000 1.085 101 D CB 1.037 41.847 40.800 0.017 0.000 1.350 101 D HN 0.440 nan 8.370 nan 0.000 0.575 102 I N -1.800 118.952 120.570 0.303 0.000 4.139 102 I HA 0.349 4.520 4.170 0.000 0.000 0.335 102 I C -0.255 176.003 176.117 0.234 0.000 1.327 102 I CA 0.082 61.611 61.300 0.383 0.000 1.112 102 I CB -0.764 37.452 38.000 0.359 0.000 1.058 102 I HN 0.215 nan 8.210 nan 0.000 0.396 103 E N 2.862 123.160 120.200 0.164 0.000 2.354 103 E HA 0.186 4.536 4.350 0.000 0.000 0.269 103 E C -1.734 174.930 176.600 0.107 0.000 1.036 103 E CA -1.561 54.918 56.400 0.132 0.000 0.876 103 E CB 0.853 30.630 29.700 0.128 0.000 1.009 103 E HN 0.049 nan 8.360 nan 0.000 0.416 104 P HA -0.236 nan 4.420 nan 0.000 0.214 104 P C 1.069 178.416 177.300 0.078 0.000 1.163 104 P CA 1.277 64.425 63.100 0.080 0.000 0.889 104 P CB -0.016 31.741 31.700 0.095 0.000 0.790 105 Y N 0.510 120.823 120.300 0.022 0.000 2.097 105 Y HA -0.160 4.391 4.550 0.001 0.000 0.282 105 Y C 2.478 178.378 175.900 -0.001 0.000 1.152 105 Y CA 2.222 60.329 58.100 0.011 0.000 1.136 105 Y CB -1.237 37.230 38.460 0.013 0.000 0.975 105 Y HN -0.132 nan 8.280 nan 0.000 0.498 106 G N 0.174 108.925 108.800 -0.081 0.000 2.440 106 G HA2 -0.262 3.699 3.960 0.000 0.000 0.218 106 G HA3 -0.262 3.699 3.960 0.000 0.000 0.218 106 G C 1.777 176.561 174.900 -0.194 0.000 1.154 106 G CA 0.986 45.972 45.100 -0.190 0.000 0.767 106 G HN 0.397 nan 8.290 nan 0.000 0.552 107 R N -0.068 120.379 120.500 -0.088 0.000 2.092 107 R HA -0.024 4.316 4.340 0.000 0.000 0.231 107 R C 2.229 178.480 176.300 -0.081 0.000 1.119 107 R CA 1.199 57.270 56.100 -0.048 0.000 0.970 107 R CB -0.323 29.980 30.300 0.006 0.000 0.864 107 R HN 0.357 nan 8.270 nan 0.000 0.440 108 D N 0.904 121.229 120.400 -0.125 0.000 2.084 108 D HA -0.188 4.453 4.640 0.000 0.000 0.194 108 D C 1.961 178.154 176.300 -0.178 0.000 0.990 108 D CA 1.278 55.203 54.000 -0.125 0.000 0.826 108 D CB -0.035 40.695 40.800 -0.117 0.000 0.971 108 D HN 0.030 nan 8.370 nan 0.000 0.453 109 R N 0.196 120.494 120.500 -0.337 0.000 2.096 109 R HA -0.177 4.163 4.340 0.000 0.000 0.240 109 R C 1.445 177.645 176.300 -0.167 0.000 1.139 109 R CA 2.058 57.958 56.100 -0.333 0.000 0.952 109 R CB -0.379 29.592 30.300 -0.548 0.000 0.854 109 R HN 0.160 nan 8.270 nan 0.000 0.436 110 D N -0.474 119.846 120.400 -0.134 0.000 2.144 110 D HA -0.102 4.539 4.640 0.000 0.000 0.199 110 D C 1.764 178.140 176.300 0.127 0.000 0.984 110 D CA 1.529 55.537 54.000 0.013 0.000 0.834 110 D CB -0.617 40.253 40.800 0.117 0.000 0.955 110 D HN 0.544 nan 8.370 nan 0.000 0.465 111 G N 0.645 109.471 108.800 0.043 0.000 2.446 111 G HA2 -0.273 3.688 3.960 0.000 0.000 0.217 111 G HA3 -0.273 3.688 3.960 0.000 0.000 0.217 111 G C 1.567 176.481 174.900 0.024 0.000 1.168 111 G CA 0.533 45.658 45.100 0.042 0.000 0.771 111 G HN 0.166 nan 8.290 nan 0.000 0.551 112 Q N 0.188 119.972 119.800 -0.027 0.000 2.079 112 Q HA -0.037 4.304 4.340 0.000 0.000 0.200 112 Q C 3.001 178.968 176.000 -0.055 0.000 0.974 112 Q CA 1.012 56.782 55.803 -0.056 0.000 0.840 112 Q CB -0.825 27.848 28.738 -0.108 0.000 0.898 112 Q HN 0.415 nan 8.270 nan 0.000 0.430 113 V N 1.354 121.232 119.914 -0.059 0.000 2.295 113 V HA -0.246 3.874 4.120 0.000 0.000 0.246 113 V C 2.434 178.581 176.094 0.087 0.000 1.049 113 V CA 1.814 64.069 62.300 -0.076 0.000 1.024 113 V CB -1.197 30.495 31.823 -0.219 0.000 0.648 113 V HN 0.327 nan 8.190 nan 0.000 0.447 114 A N 0.059 123.030 122.820 0.252 0.000 1.908 114 A HA -0.164 4.156 4.320 0.000 0.000 0.218 114 A C 2.431 180.074 177.584 0.097 0.000 1.181 114 A CA 2.317 54.512 52.037 0.263 0.000 0.627 114 A CB -0.862 18.279 19.000 0.235 0.000 0.818 114 A HN 0.586 nan 8.150 nan 0.000 0.445 115 A N -0.174 122.680 122.820 0.057 0.000 1.877 115 A HA 0.140 4.461 4.320 0.000 0.000 0.216 115 A C 2.533 180.124 177.584 0.012 0.000 1.186 115 A CA 2.232 54.282 52.037 0.022 0.000 0.620 115 A CB -1.102 17.904 19.000 0.008 0.000 0.822 115 A HN 1.126 nan 8.150 nan 0.000 0.443 116 A N -0.408 122.412 122.820 0.001 0.000 1.933 116 A HA -0.045 4.276 4.320 0.000 0.000 0.218 116 A C 2.186 179.771 177.584 0.001 0.000 1.175 116 A CA 1.532 53.563 52.037 -0.010 0.000 0.628 116 A CB -0.574 18.401 19.000 -0.043 0.000 0.814 116 A HN 0.481 nan 8.150 nan 0.000 0.444 117 L N -0.895 120.340 121.223 0.019 0.000 2.056 117 L HA -0.165 4.175 4.340 0.000 0.000 0.207 117 L C 2.631 179.512 176.870 0.019 0.000 1.078 117 L CA 1.838 56.695 54.840 0.028 0.000 0.749 117 L CB -0.411 41.692 42.059 0.073 0.000 0.901 117 L HN 0.436 nan 8.230 nan 0.000 0.433 118 K N -0.257 120.153 120.400 0.016 0.000 2.063 118 K HA -0.174 4.146 4.320 0.000 0.000 0.208 118 K C 1.963 178.564 176.600 0.003 0.000 1.048 118 K CA 1.826 58.115 56.287 0.004 0.000 0.928 118 K CB -0.025 32.475 32.500 -0.001 0.000 0.713 118 K HN 0.199 nan 8.250 nan 0.000 0.442 119 T N 0.310 114.867 114.554 0.004 0.000 2.833 119 T HA -0.076 4.275 4.350 0.000 0.000 0.269 119 T C 1.545 176.247 174.700 0.004 0.000 1.054 119 T CA 1.213 63.315 62.100 0.003 0.000 1.135 119 T CB -0.102 68.768 68.868 0.004 0.000 0.869 119 T HN 0.366 nan 8.240 nan 0.000 0.466 120 A N 0.277 123.099 122.820 0.004 0.000 2.238 120 A HA 0.523 4.844 4.320 0.000 0.000 0.208 120 A C 1.845 179.432 177.584 0.006 0.000 1.177 120 A CA 0.689 52.729 52.037 0.004 0.000 0.804 120 A CB -0.695 18.307 19.000 0.003 0.000 0.823 120 A HN 0.671 nan 8.150 nan 0.000 0.482 121 G N -0.797 108.006 108.800 0.005 0.000 2.147 121 G HA2 -0.223 3.737 3.960 0.000 0.000 0.244 121 G HA3 -0.223 3.737 3.960 0.000 0.000 0.244 121 G C -0.003 174.903 174.900 0.009 0.000 1.005 121 G CA 0.406 45.510 45.100 0.005 0.000 0.713 121 G HN 0.493 nan 8.290 nan 0.000 0.515 122 I N 0.152 120.729 120.570 0.012 0.000 2.354 122 I HA 0.376 4.546 4.170 0.000 0.000 0.292 122 I C 0.918 177.042 176.117 0.011 0.000 0.989 122 I CA -1.043 60.269 61.300 0.020 0.000 1.188 122 I CB 1.482 39.499 38.000 0.029 0.000 1.342 122 I HN 0.094 nan 8.210 nan 0.000 0.457 123 R N 4.513 125.017 120.500 0.006 0.000 2.489 123 R HA 0.474 4.814 4.340 0.000 0.000 0.287 123 R C -0.541 175.713 176.300 -0.077 0.000 1.053 123 R CA -0.064 56.014 56.100 -0.038 0.000 1.036 123 R CB 0.656 30.938 30.300 -0.030 0.000 0.966 123 R HN 0.774 nan 8.270 nan 0.000 0.432 124 A N 4.598 127.320 122.820 -0.163 0.000 2.310 124 A HA 0.438 4.758 4.320 0.000 0.000 0.304 124 A C -1.127 176.119 177.584 -0.564 0.000 1.231 124 A CA -0.682 51.175 52.037 -0.299 0.000 0.799 124 A CB 1.342 20.247 19.000 -0.157 0.000 1.162 124 A HN 0.487 nan 8.150 nan 0.000 0.486 125 V N 3.418 122.839 119.914 -0.821 0.000 2.384 125 V HA 0.376 4.496 4.120 0.000 0.000 0.287 125 V C -0.241 175.256 176.094 -0.994 0.000 1.020 125 V CA -0.338 61.424 62.300 -0.897 0.000 0.850 125 V CB 1.196 32.248 31.823 -1.285 0.000 0.987 125 V HN 0.922 nan 8.190 nan 0.000 0.436 126 Q N 5.411 124.706 119.800 -0.842 0.000 2.357 126 Q HA 0.670 5.010 4.340 0.000 0.000 0.266 126 Q C -1.183 174.504 176.000 -0.521 0.000 1.021 126 Q CA -0.344 54.940 55.803 -0.864 0.000 0.784 126 Q CB 2.386 30.622 28.738 -0.836 0.000 1.243 126 Q HN 0.630 nan 8.270 nan 0.000 0.465 127 L N 0.868 121.864 121.223 -0.379 0.000 2.322 127 L HA 0.550 4.890 4.340 0.000 0.000 0.269 127 L C -0.694 176.028 176.870 -0.247 0.000 1.012 127 L CA -1.032 53.675 54.840 -0.221 0.000 0.815 127 L CB 1.423 43.462 42.059 -0.033 0.000 1.295 127 L HN 0.553 nan 8.230 nan 0.000 0.438 128 W N 0.854 122.143 121.300 -0.019 0.000 2.322 128 W HA 0.210 4.870 4.660 0.000 0.000 0.307 128 W C 0.491 177.023 176.519 0.020 0.000 1.220 128 W CA 0.135 57.474 57.345 -0.010 0.000 1.210 128 W CB 1.285 30.718 29.460 -0.045 0.000 1.223 128 W HN 0.605 nan 8.180 nan 0.000 0.511 129 D N 0.093 120.684 120.400 0.318 0.000 2.212 129 D HA -0.150 4.490 4.640 0.000 0.000 0.311 129 D C 1.751 178.181 176.300 0.217 0.000 1.091 129 D CA 0.218 54.351 54.000 0.221 0.000 0.910 129 D CB 0.231 41.142 40.800 0.184 0.000 1.707 129 D HN 0.506 nan 8.370 nan 0.000 0.522 130 Q N 0.517 120.474 119.800 0.262 0.000 2.482 130 Q HA 0.111 4.451 4.340 0.000 0.000 0.209 130 Q C -0.073 176.054 176.000 0.211 0.000 0.961 130 Q CA 0.495 56.433 55.803 0.225 0.000 0.945 130 Q CB 0.298 29.171 28.738 0.225 0.000 1.012 130 Q HN 0.306 nan 8.270 nan 0.000 0.515 131 L N 0.424 121.770 121.223 0.206 0.000 2.370 131 L HA 0.309 4.650 4.340 0.000 0.000 0.266 131 L C 0.709 177.607 176.870 0.046 0.000 1.002 131 L CA -0.762 54.176 54.840 0.165 0.000 0.818 131 L CB 1.841 44.003 42.059 0.172 0.000 1.325 131 L HN -0.002 nan 8.230 nan 0.000 0.418 132 L N 1.052 122.261 121.223 -0.024 0.000 2.141 132 L HA -0.005 4.335 4.340 0.000 0.000 0.209 132 L C 0.147 176.556 176.870 -0.768 0.000 1.094 132 L CA 0.975 55.559 54.840 -0.426 0.000 0.763 132 L CB -0.179 41.501 42.059 -0.631 0.000 0.908 132 L HN 0.528 nan 8.230 nan 0.000 0.437 133 H N -1.188 117.855 119.070 -0.045 0.000 2.782 133 H HA 0.262 4.818 4.556 0.000 0.000 0.347 133 H C -0.265 175.035 175.328 -0.047 0.000 1.038 133 H CA -0.886 55.100 56.048 -0.102 0.000 1.255 133 H CB 1.606 31.252 29.762 -0.193 0.000 1.623 133 H HN -0.015 nan 8.280 nan 0.000 0.525 134 S N 2.768 118.326 115.700 -0.237 0.000 2.584 134 S HA 0.087 4.557 4.470 0.000 0.000 0.270 134 S C -1.682 172.402 174.600 -0.859 0.000 1.346 134 S CA -0.898 56.804 58.200 -0.830 0.000 1.018 134 S CB 1.463 63.965 63.200 -1.164 0.000 0.899 134 S HN 0.295 nan 8.310 nan 0.000 0.542 135 P HA -0.112 nan 4.420 nan 0.000 0.216 135 P C 0.576 177.611 177.300 -0.442 0.000 1.153 135 P CA 1.326 63.621 63.100 -1.341 0.000 0.858 135 P CB -0.046 30.632 31.700 -1.703 0.000 0.789 136 D N -1.494 118.686 120.400 -0.367 0.000 2.363 136 D HA -0.085 4.555 4.640 0.000 0.000 0.226 136 D C 1.758 178.005 176.300 -0.089 0.000 1.020 136 D CA 0.548 54.496 54.000 -0.086 0.000 0.892 136 D CB -0.136 40.643 40.800 -0.035 0.000 0.900 136 D HN 0.357 nan 8.370 nan 0.000 0.531 137 Q N 0.088 119.804 119.800 -0.139 0.000 2.402 137 Q HA 0.022 4.362 4.340 0.000 0.000 0.206 137 Q C -0.018 175.942 176.000 -0.067 0.000 0.919 137 Q CA 0.422 56.165 55.803 -0.099 0.000 0.923 137 Q CB 0.583 29.258 28.738 -0.106 0.000 1.048 137 Q HN 0.022 nan 8.270 nan 0.000 0.515 138 I N 2.660 123.251 120.570 0.035 0.000 2.428 138 I HA 0.360 4.531 4.170 0.000 0.000 0.279 138 I C -0.847 175.398 176.117 0.215 0.000 1.040 138 I CA -0.218 61.145 61.300 0.106 0.000 1.171 138 I CB 0.879 38.987 38.000 0.180 0.000 1.312 138 I HN 0.131 nan 8.210 nan 0.000 0.470 139 L N 3.817 125.100 121.223 0.100 0.000 2.350 139 L HA 0.534 4.874 4.340 0.000 0.000 0.260 139 L C 0.740 177.479 176.870 -0.217 0.000 1.015 139 L CA -0.698 54.097 54.840 -0.074 0.000 0.821 139 L CB 2.421 44.417 42.059 -0.105 0.000 1.370 139 L HN 0.559 nan 8.230 nan 0.000 0.416 140 S N -0.058 115.271 115.700 -0.619 0.000 2.626 140 S HA 0.172 4.642 4.470 0.000 0.000 0.257 140 S C 1.256 175.742 174.600 -0.189 0.000 1.288 140 S CA 0.034 57.909 58.200 -0.541 0.000 0.980 140 S CB 0.991 63.810 63.200 -0.636 0.000 0.975 140 S HN 0.823 nan 8.310 nan 0.000 0.577 141 G N 0.529 109.270 108.800 -0.097 0.000 2.450 141 G HA2 -0.191 3.769 3.960 0.000 0.000 0.220 141 G HA3 -0.191 3.769 3.960 0.000 0.000 0.220 141 G C 1.428 176.289 174.900 -0.065 0.000 1.130 141 G CA 0.956 46.023 45.100 -0.055 0.000 0.760 141 G HN 1.115 nan 8.290 nan 0.000 0.557 142 S N -0.516 115.134 115.700 -0.083 0.000 2.603 142 S HA 0.371 4.841 4.470 0.000 0.000 0.220 142 S C 1.719 176.272 174.600 -0.079 0.000 0.967 142 S CA 0.855 59.015 58.200 -0.067 0.000 0.920 142 S CB -0.103 63.063 63.200 -0.057 0.000 0.773 142 S HN 1.539 nan 8.310 nan 0.000 0.529 143 G N 1.333 110.070 108.800 -0.105 0.000 2.147 143 G HA2 -0.219 3.741 3.960 0.000 0.000 0.244 143 G HA3 -0.219 3.741 3.960 0.000 0.000 0.244 143 G C -0.266 174.557 174.900 -0.128 0.000 1.005 143 G CA -0.001 45.038 45.100 -0.102 0.000 0.713 143 G HN 0.563 nan 8.290 nan 0.000 0.515 144 N N 0.478 119.072 118.700 -0.176 0.000 2.402 144 N HA 0.577 5.317 4.740 0.000 0.000 0.294 144 N C -2.663 172.675 175.510 -0.287 0.000 1.203 144 N CA -1.410 51.526 53.050 -0.190 0.000 0.838 144 N CB 2.403 40.824 38.487 -0.111 0.000 1.306 144 N HN 0.079 nan 8.380 nan 0.000 0.510 145 P HA 0.100 nan 4.420 nan 0.000 0.272 145 P C -0.829 176.452 177.300 -0.031 0.000 1.230 145 P CA 0.207 63.152 63.100 -0.259 0.000 0.788 145 P CB 0.441 31.818 31.700 -0.539 0.000 0.949 146 Y N 0.094 120.531 120.300 0.229 0.000 2.301 146 Y HA 0.153 4.703 4.550 0.000 0.000 0.325 146 Y C 1.890 177.963 175.900 0.289 0.000 1.203 146 Y CA 0.599 58.875 58.100 0.292 0.000 1.255 146 Y CB 0.988 39.730 38.460 0.470 0.000 1.232 146 Y HN 0.384 nan 8.280 nan 0.000 0.501 147 S N -0.776 115.178 115.700 0.422 0.000 2.578 147 S HA 0.290 4.761 4.470 0.000 0.000 0.228 147 S C -0.384 174.478 174.600 0.436 0.000 1.022 147 S CA -0.238 58.150 58.200 0.314 0.000 0.967 147 S CB -0.092 63.169 63.200 0.101 0.000 0.914 147 S HN 0.229 nan 8.310 nan 0.000 0.515 148 V N 2.657 122.823 119.914 0.420 0.000 2.495 148 V HA 0.404 4.525 4.120 0.000 0.000 0.298 148 V C 0.567 176.667 176.094 0.011 0.000 1.031 148 V CA -0.863 61.575 62.300 0.230 0.000 0.871 148 V CB 1.185 33.114 31.823 0.177 0.000 0.988 148 V HN 0.375 nan 8.190 nan 0.000 0.432 149 Y N 4.606 124.562 120.300 -0.573 0.000 2.145 149 Y HA -0.071 4.480 4.550 0.001 0.000 0.286 149 Y C 2.090 177.688 175.900 -0.503 0.000 1.145 149 Y CA 2.292 59.720 58.100 -1.120 0.000 1.148 149 Y CB -0.509 36.951 38.460 -1.666 0.000 0.981 149 Y HN 0.720 nan 8.280 nan 0.000 0.507 150 G N 0.620 109.248 108.800 -0.286 0.000 2.631 150 G HA2 -0.312 3.648 3.960 0.000 0.000 0.219 150 G HA3 -0.312 3.648 3.960 0.000 0.000 0.219 150 G C -0.473 174.290 174.900 -0.227 0.000 1.214 150 G CA 1.384 46.367 45.100 -0.196 0.000 0.785 150 G HN 0.385 nan 8.290 nan 0.000 0.596 151 P HA -0.077 nan 4.420 nan 0.000 0.217 151 P C 1.637 178.551 177.300 -0.643 0.000 1.150 151 P CA 0.789 63.756 63.100 -0.221 0.000 0.832 151 P CB -0.146 31.579 31.700 0.041 0.000 0.787 152 F N -0.539 118.824 119.950 -0.978 0.000 2.102 152 F HA -0.175 4.352 4.527 0.001 0.000 0.298 152 F C 2.238 177.632 175.800 -0.675 0.000 1.105 152 F CA 1.340 58.678 58.000 -1.103 0.000 1.239 152 F CB -0.876 37.796 39.000 -0.547 0.000 0.991 152 F HN -0.009 nan 8.300 nan 0.000 0.474 153 W N 2.021 122.890 121.300 -0.719 0.000 2.358 153 W HA -0.220 4.440 4.660 0.000 0.000 0.303 153 W C 2.041 178.338 176.519 -0.370 0.000 1.208 153 W CA 1.795 58.753 57.345 -0.644 0.000 1.274 153 W CB -0.523 28.354 29.460 -0.972 0.000 1.138 153 W HN 0.057 nan 8.180 nan 0.000 0.515 154 K N 0.168 120.260 120.400 -0.513 0.000 2.032 154 K HA -0.268 4.052 4.320 0.000 0.000 0.209 154 K C 2.002 178.310 176.600 -0.486 0.000 1.048 154 K CA 1.820 57.818 56.287 -0.482 0.000 0.927 154 K CB -0.535 31.819 32.500 -0.242 0.000 0.712 154 K HN 0.087 nan 8.250 nan 0.000 0.441 155 N N 0.409 118.827 118.700 -0.470 0.000 2.062 155 N HA -0.195 4.545 4.740 0.000 0.000 0.191 155 N C 1.647 176.860 175.510 -0.496 0.000 1.042 155 N CA 1.417 54.220 53.050 -0.411 0.000 0.845 155 N CB -0.484 37.786 38.487 -0.362 0.000 1.024 155 N HN 0.270 nan 8.380 nan 0.000 0.424 156 W N 1.956 122.753 121.300 -0.838 0.000 2.317 156 W HA -0.296 4.364 4.660 0.001 0.000 0.318 156 W C 2.593 178.682 176.519 -0.718 0.000 1.227 156 W CA 3.148 60.000 57.345 -0.821 0.000 1.269 156 W CB -0.433 28.518 29.460 -0.849 0.000 1.155 156 W HN 0.393 nan 8.180 nan 0.000 0.484 157 Q N -0.090 119.384 119.800 -0.543 0.000 2.226 157 Q HA -0.067 4.273 4.340 0.000 0.000 0.204 157 Q C 1.866 177.560 176.000 -0.510 0.000 0.975 157 Q CA 2.207 57.615 55.803 -0.659 0.000 0.866 157 Q CB -1.334 26.637 28.738 -1.279 0.000 0.915 157 Q HN 0.204 nan 8.270 nan 0.000 0.440 158 A N 0.203 122.733 122.820 -0.484 0.000 2.067 158 A HA -0.015 4.305 4.320 0.000 0.000 0.217 158 A C 0.837 178.204 177.584 -0.362 0.000 1.156 158 A CA 0.156 51.981 52.037 -0.352 0.000 0.683 158 A CB -0.143 18.679 19.000 -0.296 0.000 0.808 158 A HN 0.314 nan 8.150 nan 0.000 0.455 159 Q N 0.989 120.480 119.800 -0.516 0.000 2.364 159 Q HA 0.181 4.521 4.340 0.000 0.000 0.267 159 Q C -2.386 173.380 176.000 -0.390 0.000 0.999 159 Q CA -1.689 53.788 55.803 -0.543 0.000 0.886 159 Q CB 0.105 28.222 28.738 -1.035 0.000 1.243 159 Q HN 0.329 nan 8.270 nan 0.000 0.415 160 P HA 0.032 nan 4.420 nan 0.000 0.267 160 P C -0.514 176.692 177.300 -0.158 0.000 1.205 160 P CA 0.013 63.013 63.100 -0.166 0.000 0.765 160 P CB 0.663 32.292 31.700 -0.118 0.000 0.828 161 K N 4.634 124.908 120.400 -0.210 0.000 2.258 161 K HA 0.307 4.627 4.320 0.000 0.000 0.284 161 K C -1.706 174.768 176.600 -0.210 0.000 1.051 161 K CA -1.616 54.465 56.287 -0.345 0.000 0.923 161 K CB 0.196 32.407 32.500 -0.482 0.000 1.046 161 K HN 0.457 nan 8.250 nan 0.000 0.474 162 P HA 0.044 nan 4.420 nan 0.000 0.271 162 P C -0.286 176.978 177.300 -0.060 0.000 1.218 162 P CA -0.214 62.807 63.100 -0.132 0.000 0.780 162 P CB 0.472 32.081 31.700 -0.152 0.000 0.901 163 T N -0.590 113.956 114.554 -0.012 0.000 2.934 163 T HA 0.466 4.817 4.350 0.000 0.000 0.283 163 T C -2.546 172.174 174.700 0.033 0.000 1.005 163 T CA -2.344 59.775 62.100 0.032 0.000 1.041 163 T CB 0.185 69.073 68.868 0.033 0.000 1.042 163 T HN 0.172 nan 8.240 nan 0.000 0.505 164 P HA 0.219 nan 4.420 nan 0.000 0.266 164 P C -0.007 177.311 177.300 0.030 0.000 1.195 164 P CA -0.513 62.617 63.100 0.050 0.000 0.768 164 P CB 0.283 32.020 31.700 0.061 0.000 0.838 165 V N 0.232 120.160 119.914 0.023 0.000 3.134 165 V HA 0.781 4.901 4.120 0.000 0.000 0.313 165 V C 0.190 176.284 176.094 0.001 0.000 1.069 165 V CA -1.272 61.034 62.300 0.009 0.000 1.048 165 V CB 0.783 32.609 31.823 0.005 0.000 1.119 165 V HN 0.599 nan 8.190 nan 0.000 0.461 166 A N 1.360 124.174 122.820 -0.009 0.000 2.407 166 A HA 0.534 4.854 4.320 0.000 0.000 0.248 166 A C 0.585 178.148 177.584 -0.034 0.000 1.082 166 A CA -0.034 51.992 52.037 -0.018 0.000 0.785 166 A CB -0.353 18.636 19.000 -0.018 0.000 1.020 166 A HN 1.023 nan 8.150 nan 0.000 0.489 167 T N 4.846 119.378 114.554 -0.037 0.000 2.832 167 T HA 0.432 4.783 4.350 0.000 0.000 0.296 167 T C -2.155 172.506 174.700 -0.066 0.000 0.968 167 T CA -0.431 61.635 62.100 -0.057 0.000 1.107 167 T CB 0.502 69.338 68.868 -0.052 0.000 0.916 167 T HN 0.603 nan 8.240 nan 0.000 0.517 168 P HA 0.221 nan 4.420 nan 0.000 0.271 168 P C -0.361 176.896 177.300 -0.071 0.000 1.216 168 P CA -0.275 62.777 63.100 -0.080 0.000 0.771 168 P CB 0.604 32.244 31.700 -0.099 0.000 0.864 169 T N -2.342 112.185 114.554 -0.045 0.000 2.838 169 T HA 0.342 4.692 4.350 0.000 0.000 0.292 169 T C -0.357 174.333 174.700 -0.016 0.000 1.113 169 T CA -0.944 61.136 62.100 -0.033 0.000 1.008 169 T CB 0.925 69.777 68.868 -0.027 0.000 1.259 169 T HN 0.444 nan 8.240 nan 0.000 0.520 170 E N 0.639 120.834 120.200 -0.008 0.000 2.210 170 E HA -0.150 4.200 4.350 0.000 0.000 0.201 170 E C -0.417 176.189 176.600 0.011 0.000 1.339 170 E CA 0.056 56.458 56.400 0.002 0.000 0.699 170 E CB -1.619 28.081 29.700 0.000 0.000 1.126 170 E HN 0.487 nan 8.360 nan 0.000 0.355 171 L N 0.159 121.395 121.223 0.023 0.000 2.439 171 L HA 0.405 4.745 4.340 0.000 0.000 0.261 171 L C 0.694 177.591 176.870 0.046 0.000 1.153 171 L CA -0.774 54.092 54.840 0.043 0.000 0.808 171 L CB 0.892 42.998 42.059 0.078 0.000 1.126 171 L HN -0.064 nan 8.230 nan 0.000 0.460 172 V N 0.813 120.757 119.914 0.049 0.000 2.384 172 V HA 0.198 4.319 4.120 0.000 0.000 0.287 172 V C -0.102 176.023 176.094 0.053 0.000 1.020 172 V CA -0.624 61.702 62.300 0.043 0.000 0.850 172 V CB 1.566 33.408 31.823 0.033 0.000 0.987 172 V HN 0.649 nan 8.190 nan 0.000 0.436 173 D N 2.866 123.295 120.400 0.049 0.000 2.377 173 D HA 0.348 4.988 4.640 0.000 0.000 0.245 173 D C 0.032 176.355 176.300 0.038 0.000 1.196 173 D CA -0.128 53.902 54.000 0.049 0.000 0.962 173 D CB 0.964 41.791 40.800 0.044 0.000 1.127 173 D HN 0.349 nan 8.370 nan 0.000 0.471 174 L N 0.898 122.141 121.223 0.034 0.000 2.436 174 L HA 0.164 4.505 4.340 0.000 0.000 0.265 174 L C 1.000 177.883 176.870 0.022 0.000 1.168 174 L CA -0.485 54.371 54.840 0.026 0.000 0.815 174 L CB 0.854 42.925 42.059 0.021 0.000 1.109 174 L HN 0.430 nan 8.230 nan 0.000 0.462 175 S N 1.229 116.941 115.700 0.019 0.000 2.614 175 S HA 0.250 4.721 4.470 0.000 0.000 0.265 175 S C -1.967 172.642 174.600 0.014 0.000 1.303 175 S CA -1.137 57.073 58.200 0.016 0.000 1.000 175 S CB 1.143 64.352 63.200 0.014 0.000 0.935 175 S HN 0.393 nan 8.310 nan 0.000 0.551 176 P HA -0.125 nan 4.420 nan 0.000 0.218 176 P C 1.401 178.706 177.300 0.009 0.000 1.148 176 P CA 1.136 64.242 63.100 0.011 0.000 0.822 176 P CB 0.010 31.716 31.700 0.010 0.000 0.784 177 E N 0.228 120.434 120.200 0.009 0.000 2.072 177 E HA -0.204 4.146 4.350 0.000 0.000 0.191 177 E C 1.952 178.556 176.600 0.007 0.000 0.985 177 E CA 1.257 57.661 56.400 0.008 0.000 0.801 177 E CB -1.159 28.546 29.700 0.008 0.000 0.750 177 E HN 0.411 nan 8.360 nan 0.000 0.452 178 Q N 0.642 120.447 119.800 0.009 0.000 2.084 178 Q HA -0.031 4.309 4.340 0.000 0.000 0.202 178 Q C 2.572 178.576 176.000 0.007 0.000 0.978 178 Q CA 1.081 56.889 55.803 0.009 0.000 0.844 178 Q CB -0.221 28.524 28.738 0.012 0.000 0.898 178 Q HN 0.258 nan 8.270 nan 0.000 0.426 179 L N -0.014 121.214 121.223 0.008 0.000 2.083 179 L HA -0.178 4.162 4.340 0.000 0.000 0.209 179 L C 2.329 179.202 176.870 0.005 0.000 1.083 179 L CA 1.137 55.981 54.840 0.007 0.000 0.752 179 L CB -0.585 41.479 42.059 0.008 0.000 0.899 179 L HN 0.258 nan 8.230 nan 0.000 0.433 180 T N -0.151 114.406 114.554 0.005 0.000 2.821 180 T HA -0.110 4.240 4.350 0.000 0.000 0.267 180 T C 2.003 176.704 174.700 0.002 0.000 1.046 180 T CA 1.198 63.300 62.100 0.004 0.000 1.139 180 T CB -0.168 68.702 68.868 0.004 0.000 0.871 180 T HN 0.437 nan 8.240 nan 0.000 0.454 181 A N 1.545 124.367 122.820 0.002 0.000 2.019 181 A HA 0.049 4.369 4.320 0.000 0.000 0.219 181 A C 2.148 179.731 177.584 -0.003 0.000 1.164 181 A CA 1.207 53.244 52.037 0.000 0.000 0.644 181 A CB -0.694 18.306 19.000 0.001 0.000 0.805 181 A HN 0.752 nan 8.150 nan 0.000 0.449 182 I N -5.094 115.475 120.570 -0.003 0.000 4.082 182 I HA 0.449 4.619 4.170 0.000 0.000 0.337 182 I C 1.926 178.039 176.117 -0.006 0.000 1.352 182 I CA 0.586 61.882 61.300 -0.007 0.000 1.097 182 I CB -0.115 37.879 38.000 -0.009 0.000 1.048 182 I HN 0.078 nan 8.210 nan 0.000 0.393 183 A N 2.979 125.797 122.820 -0.002 0.000 1.915 183 A HA -0.152 4.169 4.320 0.000 0.000 0.220 183 A C 0.255 177.838 177.584 -0.002 0.000 1.198 183 A CA 2.385 54.422 52.037 -0.001 0.000 0.647 183 A CB -2.166 16.835 19.000 0.001 0.000 0.825 183 A HN 0.428 nan 8.150 nan 0.000 0.456 184 P HA -0.123 nan 4.420 nan 0.000 0.218 184 P C 1.060 178.356 177.300 -0.007 0.000 1.146 184 P CA 0.950 64.047 63.100 -0.005 0.000 0.813 184 P CB -0.123 31.573 31.700 -0.007 0.000 0.778 185 L N -2.718 118.499 121.223 -0.010 0.000 2.529 185 L HA 0.111 4.451 4.340 0.000 0.000 0.223 185 L C 0.994 177.857 176.870 -0.011 0.000 1.113 185 L CA -0.007 54.824 54.840 -0.015 0.000 0.861 185 L CB -0.367 41.676 42.059 -0.026 0.000 1.012 185 L HN -0.053 nan 8.230 nan 0.000 0.461 186 L N 0.219 121.439 121.223 -0.004 0.000 2.375 186 L HA 0.363 4.703 4.340 0.000 0.000 0.268 186 L C -0.425 176.453 176.870 0.012 0.000 1.058 186 L CA -0.959 53.884 54.840 0.004 0.000 0.803 186 L CB 1.493 43.554 42.059 0.004 0.000 1.212 186 L HN -0.137 nan 8.230 nan 0.000 0.451 187 L N 0.726 121.962 121.223 0.022 0.000 2.326 187 L HA 0.183 4.524 4.340 0.000 0.000 0.278 187 L C 1.270 178.153 176.870 0.022 0.000 1.092 187 L CA 0.503 55.360 54.840 0.027 0.000 0.810 187 L CB 1.617 43.701 42.059 0.042 0.000 1.153 187 L HN 0.796 nan 8.230 nan 0.000 0.439 188 S N 2.042 117.754 115.700 0.019 0.000 2.402 188 S HA 0.083 4.553 4.470 0.000 0.000 0.229 188 S C 0.360 174.970 174.600 0.016 0.000 1.021 188 S CA 0.446 58.655 58.200 0.016 0.000 0.974 188 S CB -0.107 63.101 63.200 0.014 0.000 0.800 188 S HN 0.711 nan 8.310 nan 0.000 0.484 189 E N -0.526 119.685 120.200 0.019 0.000 2.430 189 E HA 0.457 4.807 4.350 0.000 0.000 0.279 189 E C -1.866 174.746 176.600 0.020 0.000 1.003 189 E CA -1.027 55.383 56.400 0.017 0.000 0.801 189 E CB 1.390 31.098 29.700 0.014 0.000 1.313 189 E HN 0.141 nan 8.360 nan 0.000 0.459 190 L N 3.808 125.038 121.223 0.012 0.000 2.418 190 L HA 0.240 4.580 4.340 0.000 0.000 0.274 190 L C -2.212 174.667 176.870 0.015 0.000 1.135 190 L CA -0.955 53.890 54.840 0.008 0.000 0.870 190 L CB 0.090 42.137 42.059 -0.021 0.000 1.154 190 L HN 0.294 nan 8.230 nan 0.000 0.462 191 P HA 0.145 nan 4.420 nan 0.000 0.272 191 P C -0.615 176.707 177.300 0.038 0.000 1.223 191 P CA -0.402 62.722 63.100 0.039 0.000 0.784 191 P CB 0.281 32.015 31.700 0.057 0.000 0.923 192 T N -0.692 113.889 114.554 0.045 0.000 2.766 192 T HA 0.055 4.406 4.350 0.000 0.000 0.295 192 T C 1.286 176.035 174.700 0.082 0.000 1.024 192 T CA -0.654 61.477 62.100 0.052 0.000 1.018 192 T CB 0.237 69.135 68.868 0.050 0.000 1.002 192 T HN 0.208 nan 8.240 nan 0.000 0.532 193 L N 0.378 121.662 121.223 0.101 0.000 2.046 193 L HA 0.057 4.398 4.340 0.000 0.000 0.208 193 L C 2.514 179.495 176.870 0.186 0.000 1.077 193 L CA 1.931 56.867 54.840 0.159 0.000 0.747 193 L CB -1.121 41.047 42.059 0.181 0.000 0.896 193 L HN 0.810 nan 8.230 nan 0.000 0.432 194 K N -0.305 120.172 120.400 0.129 0.000 2.057 194 K HA -0.176 4.144 4.320 0.000 0.000 0.207 194 K C 2.103 178.746 176.600 0.071 0.000 1.049 194 K CA 1.752 58.096 56.287 0.096 0.000 0.931 194 K CB -0.277 32.262 32.500 0.066 0.000 0.714 194 K HN 0.540 nan 8.250 nan 0.000 0.440 195 Q N -0.296 119.546 119.800 0.071 0.000 2.291 195 Q HA -0.074 4.266 4.340 0.000 0.000 0.206 195 Q C 1.683 177.727 176.000 0.073 0.000 0.976 195 Q CA 1.038 56.875 55.803 0.057 0.000 0.875 195 Q CB -0.019 28.750 28.738 0.052 0.000 0.927 195 Q HN 0.310 nan 8.270 nan 0.000 0.450 196 L N -0.988 120.313 121.223 0.130 0.000 2.554 196 L HA 0.110 4.450 4.340 0.000 0.000 0.226 196 L C 0.995 177.948 176.870 0.138 0.000 1.137 196 L CA 0.423 55.384 54.840 0.201 0.000 0.863 196 L CB 0.107 42.351 42.059 0.308 0.000 0.985 196 L HN 0.388 nan 8.230 nan 0.000 0.451 197 G N -0.313 108.482 108.800 -0.008 0.000 2.140 197 G HA2 -0.251 3.710 3.960 0.000 0.000 0.211 197 G HA3 -0.251 3.710 3.960 0.000 0.000 0.211 197 G C -0.235 174.269 174.900 -0.659 0.000 1.013 197 G CA -0.472 44.437 45.100 -0.317 0.000 0.705 197 G HN 0.172 nan 8.290 nan 0.000 0.508 198 F N -0.557 119.429 119.950 0.060 0.000 2.629 198 F HA 0.750 5.277 4.527 0.001 0.000 0.316 198 F C -0.304 175.559 175.800 0.105 0.000 1.081 198 F CA -1.098 56.949 58.000 0.079 0.000 0.954 198 F CB 2.230 41.278 39.000 0.079 0.000 1.337 198 F HN -0.014 nan 8.300 nan 0.000 0.474 199 D N 0.553 121.161 120.400 0.345 0.000 2.879 199 D HA 0.301 4.942 4.640 0.000 0.000 0.236 199 D C -2.026 174.503 176.300 0.382 0.000 1.171 199 D CA -0.227 53.935 54.000 0.269 0.000 0.868 199 D CB 2.047 42.943 40.800 0.161 0.000 1.598 199 D HN 0.590 nan 8.370 nan 0.000 0.497 200 W N 4.928 126.275 121.300 0.079 0.000 3.615 200 W HA 0.240 4.900 4.660 0.000 0.000 0.319 200 W C -1.561 174.949 176.519 -0.014 0.000 1.172 200 W CA -0.621 56.743 57.345 0.032 0.000 1.240 200 W CB 1.714 31.197 29.460 0.038 0.000 1.313 200 W HN 0.479 nan 8.180 nan 0.000 0.487 201 D N 2.234 122.116 120.400 -0.864 0.000 2.651 201 D HA 0.113 4.754 4.640 0.000 0.000 0.280 201 D C 0.941 176.681 176.300 -0.933 0.000 1.496 201 D CA -0.105 53.493 54.000 -0.670 0.000 0.792 201 D CB 0.031 40.633 40.800 -0.329 0.000 1.144 201 D HN 0.483 nan 8.370 nan 0.000 0.470 202 G N 0.194 107.868 108.800 -1.877 0.000 2.985 202 G HA2 0.435 4.396 3.960 0.000 0.000 0.209 202 G HA3 0.435 4.396 3.960 0.000 0.000 0.209 202 G C 1.007 175.593 174.900 -0.524 0.000 1.165 202 G CA 0.342 44.684 45.100 -1.263 0.000 0.776 202 G HN 0.713 nan 8.290 nan 0.000 0.541 203 G N -0.867 107.599 108.800 -0.558 0.000 2.725 203 G HA2 0.047 4.007 3.960 0.000 0.000 0.220 203 G HA3 0.047 4.007 3.960 0.000 0.000 0.220 203 G C -0.623 174.008 174.900 -0.448 0.000 1.357 203 G CA -0.519 44.363 45.100 -0.363 0.000 0.866 203 G HN 0.530 nan 8.290 nan 0.000 0.548 204 F N -0.741 119.356 119.950 0.245 0.000 2.626 204 F HA 0.642 5.169 4.527 0.000 0.000 0.311 204 F C -1.096 174.716 175.800 0.020 0.000 1.088 204 F CA -1.003 57.104 58.000 0.178 0.000 0.949 204 F CB 1.777 40.905 39.000 0.214 0.000 1.322 204 F HN 0.360 nan 8.300 nan 0.000 0.461 205 P HA 0.029 nan 4.420 nan 0.000 0.225 205 P C -0.245 176.987 177.300 -0.113 0.000 1.156 205 P CA 0.865 63.808 63.100 -0.261 0.000 0.787 205 P CB 1.219 32.461 31.700 -0.762 0.000 0.802 206 V N -0.134 119.803 119.914 0.039 0.000 2.969 206 V HA 0.261 4.382 4.120 0.000 0.000 0.304 206 V C -0.966 175.230 176.094 0.169 0.000 1.192 206 V CA -0.901 61.443 62.300 0.073 0.000 0.962 206 V CB 2.572 34.419 31.823 0.040 0.000 1.045 206 V HN -0.223 nan 8.190 nan 0.000 0.428 207 E N 5.306 125.578 120.200 0.120 0.000 2.415 207 E HA 0.264 4.615 4.350 0.000 0.000 0.262 207 E C -2.410 174.140 176.600 -0.084 0.000 1.038 207 E CA -1.533 54.900 56.400 0.055 0.000 0.921 207 E CB 0.513 30.239 29.700 0.043 0.000 0.950 207 E HN 0.537 nan 8.360 nan 0.000 0.438 208 P HA 0.185 nan 4.420 nan 0.000 0.269 208 P C -0.175 176.862 177.300 -0.438 0.000 1.215 208 P CA 0.503 63.148 63.100 -0.758 0.000 0.780 208 P CB 0.508 31.623 31.700 -0.974 0.000 0.898 209 G N 0.814 109.338 108.800 -0.461 0.000 2.629 209 G HA2 -0.162 3.799 3.960 0.000 0.000 0.686 209 G HA3 -0.162 3.799 3.960 0.000 0.000 0.686 209 G C 0.583 175.421 174.900 -0.103 0.000 1.232 209 G CA -0.067 44.886 45.100 -0.244 0.000 0.803 209 G HN 0.522 nan 8.290 nan 0.000 0.638 210 E N -0.511 119.646 120.200 -0.072 0.000 2.051 210 E HA -0.148 4.202 4.350 0.000 0.000 0.192 210 E C 2.476 179.071 176.600 -0.009 0.000 0.991 210 E CA 2.166 58.554 56.400 -0.019 0.000 0.799 210 E CB -0.179 29.505 29.700 -0.027 0.000 0.748 210 E HN 0.606 nan 8.360 nan 0.000 0.449 211 T N 0.595 115.133 114.554 -0.027 0.000 2.684 211 T HA -0.155 4.195 4.350 0.000 0.000 0.267 211 T C 1.871 176.569 174.700 -0.003 0.000 1.036 211 T CA 1.490 63.581 62.100 -0.016 0.000 1.148 211 T CB -0.337 68.516 68.868 -0.025 0.000 0.863 211 T HN 0.350 nan 8.240 nan 0.000 0.436 212 A N 1.143 123.957 122.820 -0.010 0.000 1.969 212 A HA 0.279 4.599 4.320 0.000 0.000 0.218 212 A C 2.592 180.194 177.584 0.031 0.000 1.169 212 A CA 1.603 53.645 52.037 0.007 0.000 0.635 212 A CB -0.906 18.093 19.000 -0.003 0.000 0.810 212 A HN 0.502 nan 8.150 nan 0.000 0.445 213 A N 0.167 123.013 122.820 0.043 0.000 1.873 213 A HA -0.047 4.273 4.320 0.000 0.000 0.215 213 A C 2.085 179.710 177.584 0.067 0.000 1.186 213 A CA 1.443 53.524 52.037 0.073 0.000 0.616 213 A CB -0.561 18.499 19.000 0.100 0.000 0.823 213 A HN 0.474 nan 8.150 nan 0.000 0.442 214 I N -0.207 120.396 120.570 0.054 0.000 2.226 214 I HA -0.272 3.899 4.170 0.000 0.000 0.245 214 I C 2.960 179.104 176.117 0.044 0.000 1.100 214 I CA 0.982 62.314 61.300 0.053 0.000 1.374 214 I CB -0.349 37.674 38.000 0.038 0.000 1.057 214 I HN 0.366 nan 8.210 nan 0.000 0.413 215 A N 0.912 123.753 122.820 0.034 0.000 1.902 215 A HA -0.264 4.056 4.320 0.000 0.000 0.217 215 A C 2.340 179.947 177.584 0.037 0.000 1.181 215 A CA 1.985 54.040 52.037 0.029 0.000 0.623 215 A CB -0.524 18.489 19.000 0.021 0.000 0.818 215 A HN 0.294 nan 8.150 nan 0.000 0.443 216 R N -0.291 120.234 120.500 0.042 0.000 2.081 216 R HA -0.091 4.249 4.340 0.000 0.000 0.235 216 R C 1.889 178.229 176.300 0.067 0.000 1.131 216 R CA 1.762 57.889 56.100 0.045 0.000 0.960 216 R CB -1.058 29.259 30.300 0.028 0.000 0.856 216 R HN 0.422 nan 8.270 nan 0.000 0.436 217 L N 0.586 121.852 121.223 0.071 0.000 2.012 217 L HA -0.197 4.143 4.340 0.000 0.000 0.210 217 L C 2.016 178.927 176.870 0.069 0.000 1.073 217 L CA 1.926 56.820 54.840 0.089 0.000 0.748 217 L CB -0.685 41.438 42.059 0.108 0.000 0.891 217 L HN 0.255 nan 8.230 nan 0.000 0.431 218 Q N -0.031 119.798 119.800 0.047 0.000 2.050 218 Q HA -0.226 4.114 4.340 0.000 0.000 0.202 218 Q C 2.174 178.179 176.000 0.008 0.000 0.980 218 Q CA 2.172 57.987 55.803 0.020 0.000 0.840 218 Q CB -0.288 28.461 28.738 0.017 0.000 0.898 218 Q HN 0.702 nan 8.270 nan 0.000 0.424 219 E N -0.310 119.909 120.200 0.031 0.000 2.077 219 E HA -0.159 4.191 4.350 0.000 0.000 0.193 219 E C 1.790 178.411 176.600 0.035 0.000 0.989 219 E CA 0.753 57.170 56.400 0.028 0.000 0.800 219 E CB -0.252 29.474 29.700 0.043 0.000 0.746 219 E HN 0.198 nan 8.360 nan 0.000 0.452 220 F N 1.224 121.106 119.950 -0.112 0.000 2.102 220 F HA -0.192 4.336 4.527 0.001 0.000 0.298 220 F C 2.078 177.739 175.800 -0.233 0.000 1.105 220 F CA 1.014 58.906 58.000 -0.179 0.000 1.239 220 F CB -0.367 38.478 39.000 -0.257 0.000 0.991 220 F HN 0.001 nan 8.300 nan 0.000 0.474 221 C N 0.168 119.320 119.300 -0.247 0.000 2.456 221 C HA -0.107 4.354 4.460 0.000 0.000 0.279 221 C C 2.452 177.289 174.990 -0.256 0.000 1.427 221 C CA 1.058 59.870 59.018 -0.344 0.000 1.778 221 C CB -1.268 26.359 27.740 -0.188 0.000 1.842 221 C HN 0.533 nan 8.230 nan 0.000 0.531 222 D N -0.341 119.954 120.400 -0.176 0.000 2.348 222 D HA 0.015 4.656 4.640 0.000 0.000 0.211 222 D C 2.038 178.255 176.300 -0.139 0.000 0.998 222 D CA 0.540 54.464 54.000 -0.126 0.000 0.873 222 D CB 0.399 41.156 40.800 -0.072 0.000 0.925 222 D HN 0.394 nan 8.370 nan 0.000 0.524 223 R N -0.834 119.551 120.500 -0.191 0.000 4.999 223 R HA 0.341 4.681 4.340 0.000 0.000 0.115 223 R C 2.051 178.213 176.300 -0.230 0.000 1.404 223 R CA 0.446 56.448 56.100 -0.162 0.000 0.925 223 R CB -1.218 29.029 30.300 -0.088 0.000 1.282 223 R HN 0.065 nan 8.270 nan 0.000 0.405 224 A N 1.238 123.916 122.820 -0.238 0.000 1.986 224 A HA -0.076 4.245 4.320 0.000 0.000 0.220 224 A C 2.025 179.316 177.584 -0.489 0.000 1.171 224 A CA 2.002 53.902 52.037 -0.229 0.000 0.640 224 A CB -0.835 18.173 19.000 0.014 0.000 0.811 224 A HN 0.487 nan 8.150 nan 0.000 0.451 225 I N -0.635 119.292 120.570 -1.071 0.000 2.361 225 I HA -0.249 3.922 4.170 0.000 0.000 0.251 225 I C 2.554 178.452 176.117 -0.366 0.000 1.133 225 I CA 1.144 61.800 61.300 -1.074 0.000 1.413 225 I CB -0.125 37.124 38.000 -1.252 0.000 1.073 225 I HN 0.355 nan 8.210 nan 0.000 0.424 226 A N -0.201 122.454 122.820 -0.274 0.000 2.019 226 A HA -0.206 4.114 4.320 0.000 0.000 0.219 226 A C 1.675 179.239 177.584 -0.033 0.000 1.164 226 A CA 1.909 53.871 52.037 -0.125 0.000 0.644 226 A CB -0.378 18.552 19.000 -0.117 0.000 0.805 226 A HN 0.520 nan 8.150 nan 0.000 0.449 227 D N -2.612 117.782 120.400 -0.009 0.000 2.398 227 D HA 0.058 4.699 4.640 0.000 0.000 0.210 227 D C 1.023 177.406 176.300 0.138 0.000 1.094 227 D CA -0.151 53.885 54.000 0.061 0.000 0.839 227 D CB -0.153 40.681 40.800 0.057 0.000 0.963 227 D HN 0.474 nan 8.370 nan 0.000 0.506 228 Y N 2.205 122.521 120.300 0.027 0.000 2.132 228 Y HA -0.257 4.293 4.550 0.000 0.000 0.280 228 Y C 0.499 176.469 175.900 0.117 0.000 1.193 228 Y CA 1.551 59.724 58.100 0.122 0.000 1.157 228 Y CB 0.035 38.600 38.460 0.176 0.000 0.966 228 Y HN -0.163 nan 8.280 nan 0.000 0.511 229 D N -0.248 120.217 120.400 0.109 0.000 2.349 229 D HA 0.226 4.866 4.640 0.000 0.000 0.232 229 D C -2.145 174.185 176.300 0.051 0.000 1.071 229 D CA -2.484 51.523 54.000 0.010 0.000 0.832 229 D CB 1.439 42.281 40.800 0.070 0.000 1.086 229 D HN 0.069 nan 8.370 nan 0.000 0.504 230 P HA 0.042 nan 4.420 nan 0.000 0.268 230 P C 0.668 177.948 177.300 -0.034 0.000 1.329 230 P CA -0.059 63.034 63.100 -0.012 0.000 0.899 230 P CB 0.747 32.490 31.700 0.073 0.000 1.378 231 Q N 1.067 120.924 119.800 0.096 0.000 2.308 231 Q HA -0.159 4.181 4.340 0.000 0.000 0.209 231 Q C 2.181 178.207 176.000 0.043 0.000 0.985 231 Q CA 1.232 57.160 55.803 0.209 0.000 0.881 231 Q CB -0.678 28.188 28.738 0.214 0.000 0.917 231 Q HN 0.555 nan 8.270 nan 0.000 0.443 232 R N 0.099 120.459 120.500 -0.233 0.000 2.193 232 R HA -0.038 4.303 4.340 0.000 0.000 0.229 232 R C 1.047 177.219 176.300 -0.214 0.000 1.110 232 R CA 1.225 57.120 56.100 -0.341 0.000 0.988 232 R CB -0.222 29.456 30.300 -1.037 0.000 0.871 232 R HN 0.172 nan 8.270 nan 0.000 0.458 233 N N 0.359 118.788 118.700 -0.453 0.000 2.463 233 N HA -0.014 4.727 4.740 0.000 0.000 0.181 233 N C -0.600 174.515 175.510 -0.659 0.000 1.078 233 N CA 0.581 53.231 53.050 -0.667 0.000 0.902 233 N CB 0.143 38.126 38.487 -0.841 0.000 0.970 233 N HN 0.141 nan 8.380 nan 0.000 0.451 234 F N 2.070 121.991 119.950 -0.047 0.000 2.313 234 F HA 0.328 4.855 4.527 0.000 0.000 0.369 234 F C -1.273 174.285 175.800 -0.404 0.000 1.109 234 F CA -2.664 55.264 58.000 -0.120 0.000 1.132 234 F CB 1.213 40.219 39.000 0.010 0.000 1.291 234 F HN -0.140 nan 8.300 nan 0.000 0.496 235 P HA -0.219 nan 4.420 nan 0.000 0.221 235 P C 1.226 178.468 177.300 -0.098 0.000 1.145 235 P CA 1.429 63.996 63.100 -0.889 0.000 0.795 235 P CB 0.252 31.193 31.700 -1.264 0.000 0.775 236 A N -0.504 122.377 122.820 0.101 0.000 2.066 236 A HA -0.044 4.276 4.320 0.000 0.000 0.218 236 A C 1.241 178.946 177.584 0.201 0.000 1.157 236 A CA 0.856 53.052 52.037 0.265 0.000 0.670 236 A CB -0.432 18.686 19.000 0.197 0.000 0.804 236 A HN 0.116 nan 8.150 nan 0.000 0.453 237 E N -0.585 119.723 120.200 0.182 0.000 2.242 237 E HA 0.498 4.849 4.350 0.000 0.000 0.275 237 E C -0.424 176.318 176.600 0.238 0.000 1.002 237 E CA -0.098 56.416 56.400 0.190 0.000 0.841 237 E CB 1.330 31.157 29.700 0.212 0.000 1.109 237 E HN 0.162 nan 8.360 nan 0.000 0.394 238 A N 2.014 124.960 122.820 0.211 0.000 3.168 238 A HA 0.346 4.666 4.320 0.000 0.000 0.260 238 A C 1.160 178.896 177.584 0.253 0.000 1.598 238 A CA 0.127 52.297 52.037 0.221 0.000 1.285 238 A CB -0.843 18.249 19.000 0.153 0.000 1.149 238 A HN 0.601 nan 8.150 nan 0.000 0.630 239 G N -0.012 108.975 108.800 0.312 0.000 2.880 239 G HA2 0.221 4.181 3.960 0.000 0.000 0.209 239 G HA3 0.221 4.181 3.960 0.000 0.000 0.209 239 G C 0.863 176.057 174.900 0.489 0.000 1.157 239 G CA 0.978 46.287 45.100 0.348 0.000 0.779 239 G HN 0.707 nan 8.290 nan 0.000 0.539 240 T N -2.726 112.080 114.554 0.420 0.000 2.937 240 T HA 0.462 4.812 4.350 0.000 0.000 0.283 240 T C 1.741 176.421 174.700 -0.035 0.000 1.012 240 T CA 0.464 62.800 62.100 0.393 0.000 0.997 240 T CB 1.634 70.720 68.868 0.364 0.000 1.136 240 T HN 0.104 nan 8.240 nan 0.000 0.551 241 S N -0.457 114.955 115.700 -0.481 0.000 2.428 241 S HA 0.230 4.701 4.470 0.000 0.000 0.230 241 S C 2.040 176.445 174.600 -0.325 0.000 1.014 241 S CA 0.748 58.426 58.200 -0.871 0.000 0.957 241 S CB -1.305 61.316 63.200 -0.965 0.000 0.784 241 S HN 2.243 nan 8.310 nan 0.000 0.499 242 G N 0.996 109.692 108.800 -0.174 0.000 2.153 242 G HA2 -0.233 3.728 3.960 0.000 0.000 0.252 242 G HA3 -0.233 3.728 3.960 0.000 0.000 0.252 242 G C 0.444 175.255 174.900 -0.148 0.000 0.994 242 G CA 0.563 45.503 45.100 -0.267 0.000 0.698 242 G HN 0.563 nan 8.290 nan 0.000 0.521 243 L N 1.286 122.481 121.223 -0.047 0.000 2.591 243 L HA 0.068 4.408 4.340 0.000 0.000 0.228 243 L C 2.867 179.761 176.870 0.040 0.000 1.133 243 L CA 1.035 55.885 54.840 0.018 0.000 0.880 243 L CB -0.211 41.900 42.059 0.086 0.000 1.033 243 L HN 0.488 nan 8.230 nan 0.000 0.450 244 S N 0.915 116.655 115.700 0.067 0.000 2.372 244 S HA -0.146 4.324 4.470 0.000 0.000 0.227 244 S C -0.303 174.296 174.600 -0.002 0.000 1.044 244 S CA 1.392 59.636 58.200 0.072 0.000 1.050 244 S CB -1.918 61.383 63.200 0.169 0.000 0.901 244 S HN 0.330 nan 8.310 nan 0.000 0.447 245 P HA 0.147 nan 4.420 nan 0.000 0.222 245 P C 1.528 178.770 177.300 -0.097 0.000 1.153 245 P CA 1.494 64.418 63.100 -0.294 0.000 0.798 245 P CB -0.210 30.957 31.700 -0.889 0.000 0.796 246 A N 0.069 122.901 122.820 0.020 0.000 1.969 246 A HA -0.059 4.261 4.320 0.000 0.000 0.218 246 A C 2.339 180.045 177.584 0.204 0.000 1.169 246 A CA 1.045 53.225 52.037 0.239 0.000 0.635 246 A CB -1.430 17.688 19.000 0.196 0.000 0.810 246 A HN 0.136 nan 8.150 nan 0.000 0.445 247 L N -0.897 120.403 121.223 0.129 0.000 2.209 247 L HA -0.061 4.279 4.340 0.000 0.000 0.207 247 L C 2.589 179.514 176.870 0.091 0.000 1.094 247 L CA 1.013 55.924 54.840 0.118 0.000 0.790 247 L CB -0.291 41.821 42.059 0.088 0.000 0.932 247 L HN 0.300 nan 8.230 nan 0.000 0.447 248 K N 0.812 121.232 120.400 0.033 0.000 2.026 248 K HA -0.149 4.171 4.320 0.000 0.000 0.208 248 K C 1.690 178.206 176.600 -0.140 0.000 1.048 248 K CA 1.821 58.045 56.287 -0.104 0.000 0.929 248 K CB -0.140 32.211 32.500 -0.248 0.000 0.713 248 K HN 0.186 nan 8.250 nan 0.000 0.439 249 F N 0.260 120.290 119.950 0.135 0.000 2.765 249 F HA 0.229 4.756 4.527 0.000 0.000 0.302 249 F C 1.211 177.117 175.800 0.177 0.000 1.111 249 F CA 0.568 58.675 58.000 0.178 0.000 1.359 249 F CB 0.138 39.288 39.000 0.250 0.000 1.097 249 F HN 0.306 nan 8.300 nan 0.000 0.577 250 G N 0.749 109.725 108.800 0.294 0.000 2.273 250 G HA2 -0.271 3.689 3.960 0.000 0.000 0.280 250 G HA3 -0.271 3.689 3.960 0.000 0.000 0.280 250 G C 1.194 176.231 174.900 0.228 0.000 1.047 250 G CA 0.345 45.591 45.100 0.244 0.000 0.869 250 G HN 0.566 nan 8.290 nan 0.000 0.502 251 A N -1.294 121.668 122.820 0.237 0.000 2.119 251 A HA 0.555 4.875 4.320 0.000 0.000 0.216 251 A C 1.053 178.716 177.584 0.131 0.000 1.152 251 A CA 1.537 53.669 52.037 0.160 0.000 0.708 251 A CB 0.248 19.352 19.000 0.173 0.000 0.805 251 A HN 1.368 nan 8.150 nan 0.000 0.460 252 I N -1.523 119.139 120.570 0.153 0.000 2.647 252 I HA 0.613 4.783 4.170 0.000 0.000 0.295 252 I C 0.325 176.531 176.117 0.148 0.000 1.078 252 I CA -0.609 60.773 61.300 0.137 0.000 1.048 252 I CB 1.718 39.806 38.000 0.146 0.000 1.239 252 I HN 0.030 nan 8.210 nan 0.000 0.421 253 G N 5.539 114.419 108.800 0.134 0.000 2.432 253 G HA2 0.290 4.250 3.960 0.000 0.000 0.257 253 G HA3 0.290 4.250 3.960 0.000 0.000 0.257 253 G C 0.572 175.567 174.900 0.160 0.000 1.238 253 G CA -0.249 44.933 45.100 0.137 0.000 0.838 253 G HN 0.737 nan 8.290 nan 0.000 0.547 254 I N 1.409 122.076 120.570 0.162 0.000 2.394 254 I HA -0.067 4.103 4.170 0.000 0.000 0.251 254 I C 2.628 178.874 176.117 0.214 0.000 1.136 254 I CA 1.107 62.520 61.300 0.189 0.000 1.425 254 I CB -0.035 38.066 38.000 0.169 0.000 1.079 254 I HN 0.581 nan 8.210 nan 0.000 0.425 255 R N -0.543 120.052 120.500 0.158 0.000 2.090 255 R HA -0.124 4.216 4.340 0.000 0.000 0.228 255 R C 2.255 178.682 176.300 0.213 0.000 1.110 255 R CA 1.248 57.447 56.100 0.164 0.000 0.973 255 R CB -0.377 29.973 30.300 0.084 0.000 0.869 255 R HN 0.483 nan 8.270 nan 0.000 0.440 256 Q N 0.293 120.198 119.800 0.174 0.000 2.119 256 Q HA -0.099 4.242 4.340 0.000 0.000 0.201 256 Q C 1.976 178.097 176.000 0.203 0.000 0.972 256 Q CA 1.441 57.340 55.803 0.160 0.000 0.847 256 Q CB 0.010 28.822 28.738 0.122 0.000 0.903 256 Q HN 0.374 nan 8.270 nan 0.000 0.433 257 A N 0.772 123.745 122.820 0.255 0.000 1.898 257 A HA -0.198 4.122 4.320 0.000 0.000 0.216 257 A C 1.820 179.635 177.584 0.386 0.000 1.181 257 A CA 1.161 53.398 52.037 0.334 0.000 0.620 257 A CB -1.312 17.908 19.000 0.367 0.000 0.819 257 A HN 0.801 nan 8.150 nan 0.000 0.442 258 W N 0.727 122.158 121.300 0.218 0.000 2.358 258 W HA -0.199 4.461 4.660 0.000 0.000 0.303 258 W C 2.164 178.784 176.519 0.169 0.000 1.208 258 W CA 2.029 59.499 57.345 0.210 0.000 1.274 258 W CB -0.390 29.149 29.460 0.132 0.000 1.138 258 W HN 0.597 nan 8.180 nan 0.000 0.515 259 Q N 0.553 120.500 119.800 0.246 0.000 2.096 259 Q HA -0.197 4.143 4.340 0.000 0.000 0.204 259 Q C 2.348 178.366 176.000 0.030 0.000 0.982 259 Q CA 2.335 58.214 55.803 0.128 0.000 0.850 259 Q CB -0.427 28.399 28.738 0.147 0.000 0.901 259 Q HN 0.190 nan 8.270 nan 0.000 0.422 260 A N 0.567 123.423 122.820 0.060 0.000 1.898 260 A HA -0.071 4.249 4.320 0.000 0.000 0.216 260 A C 2.237 179.800 177.584 -0.035 0.000 1.181 260 A CA 1.580 53.631 52.037 0.024 0.000 0.620 260 A CB -0.818 18.216 19.000 0.057 0.000 0.819 260 A HN 0.551 nan 8.150 nan 0.000 0.442 261 A N -0.544 122.255 122.820 -0.035 0.000 1.898 261 A HA -0.022 4.298 4.320 0.000 0.000 0.216 261 A C 2.421 179.907 177.584 -0.163 0.000 1.181 261 A CA 1.911 53.897 52.037 -0.085 0.000 0.620 261 A CB -0.823 18.209 19.000 0.053 0.000 0.819 261 A HN 0.443 nan 8.150 nan 0.000 0.442 262 S N 0.174 115.694 115.700 -0.299 0.000 2.382 262 S HA -0.070 4.401 4.470 0.000 0.000 0.228 262 S C 2.280 176.850 174.600 -0.050 0.000 1.027 262 S CA 1.202 59.261 58.200 -0.235 0.000 0.991 262 S CB -0.473 62.580 63.200 -0.246 0.000 0.823 262 S HN 0.789 nan 8.310 nan 0.000 0.469 263 A N 1.723 124.519 122.820 -0.041 0.000 1.877 263 A HA 0.098 4.418 4.320 0.000 0.000 0.216 263 A C 2.391 179.968 177.584 -0.012 0.000 1.186 263 A CA 1.719 53.751 52.037 -0.010 0.000 0.620 263 A CB -1.167 17.826 19.000 -0.010 0.000 0.822 263 A HN 0.522 nan 8.150 nan 0.000 0.443 264 A N -1.343 121.453 122.820 -0.040 0.000 1.933 264 A HA -0.239 4.081 4.320 0.000 0.000 0.218 264 A C 2.152 179.718 177.584 -0.030 0.000 1.175 264 A CA 1.827 53.826 52.037 -0.063 0.000 0.628 264 A CB -0.936 17.989 19.000 -0.126 0.000 0.814 264 A HN 0.739 nan 8.150 nan 0.000 0.444 265 H N 0.107 119.128 119.070 -0.082 0.000 2.353 265 H HA -0.037 4.519 4.556 0.000 0.000 0.300 265 H C 2.259 177.569 175.328 -0.030 0.000 1.090 265 H CA 1.722 57.740 56.048 -0.051 0.000 1.327 265 H CB -0.235 29.498 29.762 -0.048 0.000 1.383 265 H HN 0.404 nan 8.280 nan 0.000 0.508 266 A N 0.864 123.771 122.820 0.146 0.000 1.969 266 A HA -0.040 4.280 4.320 0.000 0.000 0.218 266 A C 2.534 180.126 177.584 0.014 0.000 1.169 266 A CA 1.021 53.116 52.037 0.097 0.000 0.635 266 A CB -0.515 18.529 19.000 0.073 0.000 0.810 266 A HN 0.431 nan 8.150 nan 0.000 0.445 267 L N -0.041 121.173 121.223 -0.015 0.000 2.607 267 L HA 0.124 4.464 4.340 0.000 0.000 0.228 267 L C 0.389 177.223 176.870 -0.060 0.000 1.123 267 L CA -0.396 54.424 54.840 -0.033 0.000 0.890 267 L CB 0.029 42.070 42.059 -0.031 0.000 1.103 267 L HN 0.103 nan 8.230 nan 0.000 0.468 268 S N 0.326 115.968 115.700 -0.097 0.000 2.572 268 S HA 0.190 4.660 4.470 0.000 0.000 0.279 268 S C 1.066 175.607 174.600 -0.098 0.000 1.341 268 S CA -0.129 57.998 58.200 -0.122 0.000 1.043 268 S CB 0.834 63.910 63.200 -0.207 0.000 0.887 268 S HN 0.302 nan 8.310 nan 0.000 0.516 269 R N 0.733 121.186 120.500 -0.078 0.000 2.577 269 R HA 0.187 4.528 4.340 0.000 0.000 0.344 269 R C -0.238 176.032 176.300 -0.050 0.000 1.037 269 R CA -0.039 56.028 56.100 -0.056 0.000 1.102 269 R CB 0.470 30.745 30.300 -0.041 0.000 1.313 269 R HN 0.674 nan 8.270 nan 0.000 0.561 270 S N -1.653 114.009 115.700 -0.062 0.000 2.556 270 S HA 0.245 4.715 4.470 0.000 0.000 0.271 270 S C -0.363 174.207 174.600 -0.050 0.000 1.135 270 S CA -0.882 57.292 58.200 -0.044 0.000 0.858 270 S CB 2.036 65.216 63.200 -0.032 0.000 1.114 270 S HN -0.131 nan 8.310 nan 0.000 0.468 271 D N 1.181 121.566 120.400 -0.025 0.000 2.219 271 D HA 0.021 4.661 4.640 0.000 0.000 0.205 271 D C 1.405 177.705 176.300 0.001 0.000 0.970 271 D CA 1.310 55.304 54.000 -0.011 0.000 0.851 271 D CB -0.002 40.804 40.800 0.010 0.000 0.943 271 D HN 0.666 nan 8.370 nan 0.000 0.488 272 E N 0.628 120.829 120.200 0.001 0.000 2.047 272 E HA -0.050 4.300 4.350 0.000 0.000 0.191 272 E C 2.068 178.675 176.600 0.011 0.000 0.987 272 E CA 1.212 57.621 56.400 0.015 0.000 0.799 272 E CB -0.464 29.245 29.700 0.014 0.000 0.752 272 E HN 0.236 nan 8.360 nan 0.000 0.449 273 A N 0.988 123.796 122.820 -0.021 0.000 1.877 273 A HA -0.212 4.108 4.320 0.000 0.000 0.216 273 A C 2.107 179.661 177.584 -0.050 0.000 1.186 273 A CA 1.713 53.724 52.037 -0.042 0.000 0.620 273 A CB -0.458 18.497 19.000 -0.076 0.000 0.822 273 A HN 0.080 nan 8.150 nan 0.000 0.443 274 R N -0.774 119.666 120.500 -0.101 0.000 2.091 274 R HA -0.188 4.152 4.340 0.000 0.000 0.238 274 R C 2.224 178.570 176.300 0.077 0.000 1.136 274 R CA 1.651 57.660 56.100 -0.152 0.000 0.959 274 R CB -0.419 29.732 30.300 -0.248 0.000 0.856 274 R HN 0.708 nan 8.270 nan 0.000 0.437 275 N N 0.192 118.940 118.700 0.079 0.000 2.120 275 N HA -0.120 4.621 4.740 0.000 0.000 0.188 275 N C 1.504 177.107 175.510 0.156 0.000 1.024 275 N CA 1.753 54.878 53.050 0.126 0.000 0.852 275 N CB -0.035 38.508 38.487 0.094 0.000 1.003 275 N HN -0.040 nan 8.380 nan 0.000 0.424 276 S N -0.012 115.770 115.700 0.137 0.000 2.356 276 S HA -0.042 4.428 4.470 0.000 0.000 0.223 276 S C 1.925 176.671 174.600 0.243 0.000 1.032 276 S CA 1.115 59.437 58.200 0.202 0.000 1.005 276 S CB -0.337 62.950 63.200 0.145 0.000 0.867 276 S HN 0.365 nan 8.310 nan 0.000 0.449 277 I N 0.851 121.514 120.570 0.155 0.000 2.286 277 I HA -0.158 4.013 4.170 0.000 0.000 0.248 277 I C 2.643 178.910 176.117 0.251 0.000 1.115 277 I CA 1.005 62.399 61.300 0.157 0.000 1.392 277 I CB -0.199 37.869 38.000 0.113 0.000 1.065 277 I HN 0.121 nan 8.210 nan 0.000 0.418 278 R N 0.857 121.521 120.500 0.273 0.000 2.092 278 R HA -0.081 4.259 4.340 0.000 0.000 0.231 278 R C 2.053 178.496 176.300 0.238 0.000 1.119 278 R CA 1.272 57.538 56.100 0.277 0.000 0.970 278 R CB -0.682 29.790 30.300 0.287 0.000 0.864 278 R HN 0.156 nan 8.270 nan 0.000 0.440 279 V N -0.810 119.252 119.914 0.247 0.000 2.427 279 V HA -0.208 3.912 4.120 0.000 0.000 0.248 279 V C 1.815 178.091 176.094 0.303 0.000 1.051 279 V CA 1.681 64.128 62.300 0.244 0.000 1.048 279 V CB -0.623 31.393 31.823 0.322 0.000 0.666 279 V HN 0.461 nan 8.190 nan 0.000 0.456 280 W N 0.811 122.158 121.300 0.078 0.000 2.388 280 W HA -0.162 4.498 4.660 0.000 0.000 0.294 280 W C 2.543 179.070 176.519 0.014 0.000 1.212 280 W CA 1.687 58.918 57.345 -0.190 0.000 1.271 280 W CB -0.197 29.038 29.460 -0.375 0.000 1.126 280 W HN 0.242 nan 8.180 nan 0.000 0.535 281 Q N -0.476 119.462 119.800 0.231 0.000 2.170 281 Q HA -0.259 4.082 4.340 0.000 0.000 0.203 281 Q C 2.150 178.315 176.000 0.276 0.000 0.976 281 Q CA 1.637 57.612 55.803 0.287 0.000 0.858 281 Q CB -0.418 28.538 28.738 0.362 0.000 0.907 281 Q HN 0.483 nan 8.270 nan 0.000 0.433 282 Q N 0.066 119.887 119.800 0.035 0.000 2.224 282 Q HA -0.150 4.191 4.340 0.000 0.000 0.203 282 Q C 1.730 177.689 176.000 -0.067 0.000 0.970 282 Q CA 0.675 56.309 55.803 -0.282 0.000 0.865 282 Q CB 0.171 28.582 28.738 -0.545 0.000 0.922 282 Q HN 0.330 nan 8.270 nan 0.000 0.445 283 E N 0.819 120.983 120.200 -0.061 0.000 2.106 283 E HA -0.110 4.241 4.350 0.000 0.000 0.192 283 E C 2.075 178.595 176.600 -0.134 0.000 0.984 283 E CA 0.699 57.052 56.400 -0.077 0.000 0.806 283 E CB -0.123 29.434 29.700 -0.238 0.000 0.750 283 E HN 0.392 nan 8.360 nan 0.000 0.458 284 L N 0.335 121.428 121.223 -0.217 0.000 2.131 284 L HA -0.114 4.226 4.340 0.000 0.000 0.210 284 L C 2.431 179.208 176.870 -0.156 0.000 1.092 284 L CA 1.059 55.824 54.840 -0.126 0.000 0.759 284 L CB -0.506 41.584 42.059 0.052 0.000 0.903 284 L HN 0.053 nan 8.230 nan 0.000 0.435 285 A N -0.908 121.714 122.820 -0.330 0.000 1.968 285 A HA -0.192 4.128 4.320 0.000 0.000 0.217 285 A C 1.918 179.307 177.584 -0.325 0.000 1.169 285 A CA 0.859 52.428 52.037 -0.780 0.000 0.638 285 A CB -0.745 17.875 19.000 -0.633 0.000 0.812 285 A HN 0.492 nan 8.150 nan 0.000 0.446 286 W N 0.054 121.213 121.300 -0.236 0.000 2.388 286 W HA -0.107 4.554 4.660 0.001 0.000 0.294 286 W C 2.553 178.949 176.519 -0.205 0.000 1.212 286 W CA 1.556 58.697 57.345 -0.340 0.000 1.271 286 W CB -0.011 29.166 29.460 -0.471 0.000 1.126 286 W HN 0.353 nan 8.180 nan 0.000 0.535 287 R N 1.051 121.617 120.500 0.111 0.000 2.081 287 R HA -0.187 4.153 4.340 0.000 0.000 0.235 287 R C 1.780 178.125 176.300 0.074 0.000 1.131 287 R CA 2.038 58.212 56.100 0.123 0.000 0.960 287 R CB -0.457 29.877 30.300 0.057 0.000 0.856 287 R HN 0.186 nan 8.270 nan 0.000 0.436 288 E N -0.253 119.919 120.200 -0.046 0.000 2.152 288 E HA -0.194 4.157 4.350 0.000 0.000 0.192 288 E C 1.808 178.218 176.600 -0.317 0.000 0.983 288 E CA 0.921 57.259 56.400 -0.103 0.000 0.818 288 E CB -0.257 29.403 29.700 -0.067 0.000 0.758 288 E HN 0.341 nan 8.360 nan 0.000 0.467 289 F N 1.244 120.792 119.950 -0.670 0.000 2.095 289 F HA -0.264 4.263 4.527 0.000 0.000 0.298 289 F C 1.951 177.484 175.800 -0.446 0.000 1.104 289 F CA 1.491 58.829 58.000 -1.103 0.000 1.232 289 F CB -0.337 37.927 39.000 -1.226 0.000 0.987 289 F HN -0.073 nan 8.300 nan 0.000 0.475 290 Y N 0.630 120.886 120.300 -0.073 0.000 2.242 290 Y HA -0.153 4.397 4.550 0.001 0.000 0.291 290 Y C 2.605 178.494 175.900 -0.019 0.000 1.137 290 Y CA 1.454 59.524 58.100 -0.050 0.000 1.181 290 Y CB -1.108 37.403 38.460 0.085 0.000 0.989 290 Y HN 0.216 nan 8.280 nan 0.000 0.527 291 Q N -1.005 118.902 119.800 0.180 0.000 2.079 291 Q HA -0.182 4.159 4.340 0.000 0.000 0.200 291 Q C 1.933 178.057 176.000 0.206 0.000 0.974 291 Q CA 1.376 57.296 55.803 0.196 0.000 0.840 291 Q CB -0.337 28.526 28.738 0.209 0.000 0.898 291 Q HN 0.703 nan 8.270 nan 0.000 0.430 292 H N -0.167 118.883 119.070 -0.035 0.000 2.353 292 H HA -0.094 4.463 4.556 0.000 0.000 0.300 292 H C 2.142 177.455 175.328 -0.024 0.000 1.090 292 H CA 0.620 56.620 56.048 -0.079 0.000 1.327 292 H CB 0.163 29.962 29.762 0.062 0.000 1.383 292 H HN 0.297 nan 8.280 nan 0.000 0.508 293 A N 1.210 124.077 122.820 0.079 0.000 1.883 293 A HA -0.171 4.149 4.320 0.000 0.000 0.217 293 A C 2.328 180.067 177.584 0.259 0.000 1.186 293 A CA 1.340 53.473 52.037 0.160 0.000 0.624 293 A CB -0.663 18.314 19.000 -0.039 0.000 0.822 293 A HN 0.294 nan 8.150 nan 0.000 0.444 294 L N -1.729 119.614 121.223 0.199 0.000 2.141 294 L HA -0.107 4.233 4.340 0.000 0.000 0.209 294 L C 2.244 179.206 176.870 0.153 0.000 1.094 294 L CA 2.155 57.114 54.840 0.197 0.000 0.763 294 L CB -0.864 41.302 42.059 0.179 0.000 0.908 294 L HN 0.541 nan 8.230 nan 0.000 0.437 295 Y N -0.744 119.537 120.300 -0.032 0.000 2.163 295 Y HA -0.257 4.293 4.550 0.001 0.000 0.288 295 Y C 2.654 178.433 175.900 -0.203 0.000 1.136 295 Y CA 2.128 60.149 58.100 -0.131 0.000 1.147 295 Y CB -0.248 38.035 38.460 -0.295 0.000 0.987 295 Y HN 0.333 nan 8.280 nan 0.000 0.509 296 H N -1.426 117.602 119.070 -0.069 0.000 2.428 296 H HA 0.017 4.573 4.556 0.000 0.000 0.296 296 H C -0.188 174.691 175.328 -0.749 0.000 1.062 296 H CA 1.106 56.849 56.048 -0.507 0.000 1.350 296 H CB -0.231 29.070 29.762 -0.769 0.000 1.403 296 H HN 0.271 nan 8.280 nan 0.000 0.533 297 F N 1.265 121.310 119.950 0.159 0.000 2.622 297 F HA 0.273 4.800 4.527 0.000 0.000 0.338 297 F C -1.687 174.189 175.800 0.127 0.000 1.334 297 F CA -2.536 55.550 58.000 0.143 0.000 1.179 297 F CB 1.289 40.375 39.000 0.142 0.000 1.471 297 F HN -0.087 nan 8.300 nan 0.000 0.576 298 P HA -0.213 nan 4.420 nan 0.000 0.220 298 P C 1.534 178.944 177.300 0.182 0.000 1.144 298 P CA 1.578 64.766 63.100 0.146 0.000 0.800 298 P CB 0.123 31.862 31.700 0.065 0.000 0.772 299 S N -0.565 115.272 115.700 0.227 0.000 2.474 299 S HA -0.086 4.384 4.470 0.000 0.000 0.235 299 S C 2.046 176.789 174.600 0.238 0.000 0.997 299 S CA 0.491 58.816 58.200 0.207 0.000 0.949 299 S CB -1.613 61.710 63.200 0.205 0.000 0.766 299 S HN 0.095 nan 8.310 nan 0.000 0.517 300 L N 1.090 122.484 121.223 0.286 0.000 2.081 300 L HA -0.128 4.213 4.340 0.000 0.000 0.212 300 L C 3.100 180.119 176.870 0.248 0.000 1.080 300 L CA 1.270 56.277 54.840 0.279 0.000 0.754 300 L CB -0.807 41.407 42.059 0.257 0.000 0.893 300 L HN 0.505 nan 8.230 nan 0.000 0.433 301 A N -0.543 122.397 122.820 0.200 0.000 2.070 301 A HA -0.201 4.119 4.320 0.000 0.000 0.220 301 A C 1.777 179.445 177.584 0.139 0.000 1.159 301 A CA 1.738 53.874 52.037 0.165 0.000 0.656 301 A CB -0.355 18.723 19.000 0.130 0.000 0.800 301 A HN 0.399 nan 8.150 nan 0.000 0.453 302 D N -1.065 119.415 120.400 0.133 0.000 2.323 302 D HA 0.323 4.963 4.640 0.000 0.000 0.209 302 D C 1.147 177.486 176.300 0.066 0.000 0.973 302 D CA 1.321 55.368 54.000 0.079 0.000 0.874 302 D CB 0.400 41.243 40.800 0.072 0.000 0.930 302 D HN 0.567 nan 8.370 nan 0.000 0.521 303 G N 0.284 109.192 108.800 0.179 0.000 2.302 303 G HA2 -0.034 3.926 3.960 0.000 0.000 0.276 303 G HA3 -0.034 3.926 3.960 0.000 0.000 0.276 303 G C -2.863 172.300 174.900 0.438 0.000 1.316 303 G CA -1.139 44.095 45.100 0.223 0.000 0.988 303 G HN -0.198 nan 8.290 nan 0.000 0.479 304 P HA 0.154 nan 4.420 nan 0.000 0.260 304 P C -0.068 177.453 177.300 0.367 0.000 1.172 304 P CA 0.341 63.756 63.100 0.525 0.000 0.760 304 P CB 0.244 32.303 31.700 0.597 0.000 0.773 305 Y N 5.003 125.441 120.300 0.230 0.000 2.269 305 Y HA 0.043 4.593 4.550 0.001 0.000 0.294 305 Y C 1.347 177.339 175.900 0.155 0.000 1.120 305 Y CA 0.690 58.879 58.100 0.148 0.000 1.159 305 Y CB 0.019 38.519 38.460 0.066 0.000 1.024 305 Y HN 0.144 nan 8.280 nan 0.000 0.532 306 R N 0.868 121.633 120.500 0.441 0.000 2.442 306 R HA 0.047 4.387 4.340 0.000 0.000 0.291 306 R C 1.474 177.913 176.300 0.231 0.000 1.069 306 R CA 0.772 57.084 56.100 0.354 0.000 1.022 306 R CB 0.761 31.328 30.300 0.444 0.000 0.976 306 R HN 0.421 nan 8.270 nan 0.000 0.443 307 S N 4.616 120.384 115.700 0.113 0.000 2.400 307 S HA -0.247 4.223 4.470 0.000 0.000 0.232 307 S C 1.789 176.416 174.600 0.044 0.000 1.025 307 S CA 1.353 59.587 58.200 0.056 0.000 0.993 307 S CB -0.524 62.683 63.200 0.012 0.000 0.808 307 S HN 0.746 nan 8.310 nan 0.000 0.478 308 L N -0.330 120.899 121.223 0.011 0.000 1.994 308 L HA -0.009 4.331 4.340 0.000 0.000 0.208 308 L C 2.339 179.115 176.870 -0.157 0.000 1.071 308 L CA 1.688 56.437 54.840 -0.152 0.000 0.745 308 L CB -0.362 41.524 42.059 -0.288 0.000 0.892 308 L HN 0.386 nan 8.230 nan 0.000 0.431 309 W N -0.087 121.332 121.300 0.197 0.000 2.595 309 W HA -0.073 4.587 4.660 0.000 0.000 0.257 309 W C 2.517 179.212 176.519 0.294 0.000 1.267 309 W CA 0.374 57.883 57.345 0.274 0.000 1.300 309 W CB -0.066 29.584 29.460 0.317 0.000 1.120 309 W HN 0.260 nan 8.180 nan 0.000 0.618 310 Q N -0.102 119.912 119.800 0.356 0.000 2.369 310 Q HA -0.142 4.199 4.340 0.000 0.000 0.206 310 Q C 1.628 177.734 176.000 0.177 0.000 0.963 310 Q CA 0.943 56.899 55.803 0.255 0.000 0.894 310 Q CB -0.069 28.758 28.738 0.149 0.000 0.965 310 Q HN 0.481 nan 8.270 nan 0.000 0.475 311 Q N -0.926 118.943 119.800 0.114 0.000 2.217 311 Q HA 0.109 4.449 4.340 0.000 0.000 0.217 311 Q C -0.447 175.516 176.000 -0.063 0.000 0.844 311 Q CA -0.459 55.350 55.803 0.010 0.000 0.957 311 Q CB 0.500 29.202 28.738 -0.061 0.000 1.127 311 Q HN 0.177 nan 8.270 nan 0.000 0.503 312 F N 5.115 124.954 119.950 -0.185 0.000 2.612 312 F HA -0.005 4.522 4.527 0.001 0.000 0.389 312 F C -1.740 173.751 175.800 -0.515 0.000 1.055 312 F CA -1.747 55.978 58.000 -0.458 0.000 1.232 312 F CB 0.789 39.424 39.000 -0.609 0.000 1.044 312 F HN -0.038 nan 8.300 nan 0.000 0.560 313 P HA -0.017 nan 4.420 nan 0.000 0.244 313 P C -1.121 175.900 177.300 -0.465 0.000 1.769 313 P CA -0.153 62.589 63.100 -0.598 0.000 1.102 313 P CB -0.555 30.809 31.700 -0.559 0.000 1.937 314 W N 1.288 122.613 121.300 0.042 0.000 2.223 314 W HA 0.087 4.747 4.660 0.000 0.000 0.334 314 W C 1.882 178.421 176.519 0.033 0.000 1.334 314 W CA -0.139 57.304 57.345 0.163 0.000 1.246 314 W CB 0.463 30.017 29.460 0.157 0.000 1.184 314 W HN 0.408 nan 8.180 nan 0.000 0.563 315 E N 2.120 122.496 120.200 0.294 0.000 2.072 315 E HA -0.294 4.056 4.350 0.000 0.000 0.191 315 E C 0.439 177.113 176.600 0.124 0.000 0.985 315 E CA 1.149 57.638 56.400 0.148 0.000 0.801 315 E CB -0.081 29.700 29.700 0.134 0.000 0.750 315 E HN 0.522 nan 8.360 nan 0.000 0.452 316 N N 1.284 120.068 118.700 0.139 0.000 2.725 316 N HA -0.195 4.545 4.740 0.000 0.000 0.251 316 N C -1.137 174.391 175.510 0.030 0.000 1.031 316 N CA 0.820 53.894 53.050 0.040 0.000 0.720 316 N CB -1.373 37.118 38.487 0.006 0.000 0.930 316 N HN 0.266 nan 8.380 nan 0.000 0.543 317 R N 0.775 121.310 120.500 0.059 0.000 2.288 317 R HA 0.013 4.353 4.340 0.000 0.000 0.330 317 R C 1.357 177.709 176.300 0.086 0.000 1.069 317 R CA -0.309 55.829 56.100 0.064 0.000 0.941 317 R CB 0.663 31.006 30.300 0.072 0.000 0.998 317 R HN 0.153 nan 8.270 nan 0.000 0.452 318 E N 3.363 123.610 120.200 0.078 0.000 2.130 318 E HA -0.232 4.118 4.350 0.000 0.000 0.196 318 E C 1.655 178.348 176.600 0.155 0.000 0.998 318 E CA 2.073 58.546 56.400 0.121 0.000 0.806 318 E CB 0.065 29.818 29.700 0.088 0.000 0.738 318 E HN 0.723 nan 8.360 nan 0.000 0.459 319 A N 0.067 122.954 122.820 0.111 0.000 1.933 319 A HA -0.144 4.176 4.320 0.000 0.000 0.218 319 A C 2.255 179.910 177.584 0.119 0.000 1.175 319 A CA 1.391 53.488 52.037 0.101 0.000 0.628 319 A CB -0.600 18.447 19.000 0.079 0.000 0.814 319 A HN 0.329 nan 8.150 nan 0.000 0.444 320 L N -2.306 118.999 121.223 0.135 0.000 2.109 320 L HA -0.096 4.245 4.340 0.000 0.000 0.207 320 L C 2.465 179.456 176.870 0.202 0.000 1.086 320 L CA 1.264 56.196 54.840 0.154 0.000 0.760 320 L CB -0.533 41.601 42.059 0.125 0.000 0.910 320 L HN 0.481 nan 8.230 nan 0.000 0.437 321 F N 1.120 121.099 119.950 0.049 0.000 2.146 321 F HA -0.201 4.326 4.527 0.000 0.000 0.298 321 F C 2.478 178.344 175.800 0.110 0.000 1.096 321 F CA 1.874 59.902 58.000 0.047 0.000 1.275 321 F CB -0.538 38.443 39.000 -0.031 0.000 1.008 321 F HN -0.077 nan 8.300 nan 0.000 0.480 322 T N 0.695 115.262 114.554 0.022 0.000 2.720 322 T HA -0.208 4.142 4.350 0.000 0.000 0.268 322 T C 2.225 176.872 174.700 -0.089 0.000 1.037 322 T CA 1.560 63.611 62.100 -0.080 0.000 1.144 322 T CB -0.882 68.008 68.868 0.037 0.000 0.864 322 T HN 0.366 nan 8.240 nan 0.000 0.444 323 A N 0.294 123.124 122.820 0.016 0.000 1.902 323 A HA -0.113 4.207 4.320 0.000 0.000 0.217 323 A C 2.039 179.648 177.584 0.042 0.000 1.181 323 A CA 1.587 53.649 52.037 0.042 0.000 0.623 323 A CB -1.113 17.950 19.000 0.106 0.000 0.818 323 A HN 0.704 nan 8.150 nan 0.000 0.443 324 W N 1.631 122.847 121.300 -0.140 0.000 2.354 324 W HA -0.238 4.422 4.660 0.000 0.000 0.315 324 W C 2.665 178.982 176.519 -0.336 0.000 1.206 324 W CA 3.207 60.461 57.345 -0.152 0.000 1.290 324 W CB -0.645 28.744 29.460 -0.117 0.000 1.152 324 W HN 0.412 nan 8.180 nan 0.000 0.489 325 T N -1.280 112.957 114.554 -0.530 0.000 2.881 325 T HA -0.230 4.120 4.350 0.000 0.000 0.270 325 T C 1.385 175.820 174.700 -0.441 0.000 1.068 325 T CA 1.677 63.211 62.100 -0.943 0.000 1.131 325 T CB -0.482 67.684 68.868 -1.171 0.000 0.871 325 T HN 0.428 nan 8.240 nan 0.000 0.479 326 Q N 0.694 120.340 119.800 -0.256 0.000 2.280 326 Q HA 0.600 4.941 4.340 0.000 0.000 0.201 326 Q C 1.000 176.941 176.000 -0.098 0.000 0.890 326 Q CA 0.137 55.868 55.803 -0.120 0.000 0.947 326 Q CB 0.234 28.936 28.738 -0.059 0.000 1.081 326 Q HN 0.661 nan 8.270 nan 0.000 0.502 327 A N 1.429 124.154 122.820 -0.157 0.000 2.791 327 A HA -0.194 4.127 4.320 0.000 0.000 0.292 327 A C 0.407 177.979 177.584 -0.020 0.000 1.487 327 A CA 0.741 52.718 52.037 -0.099 0.000 0.760 327 A CB -1.177 17.785 19.000 -0.063 0.000 1.031 327 A HN 0.371 nan 8.150 nan 0.000 0.503 328 Q N -0.667 119.114 119.800 -0.032 0.000 2.233 328 Q HA 0.150 4.491 4.340 0.000 0.000 0.340 328 Q C 1.388 177.374 176.000 -0.024 0.000 0.899 328 Q CA 0.677 56.451 55.803 -0.049 0.000 1.139 328 Q CB 0.042 28.759 28.738 -0.036 0.000 1.273 328 Q HN 1.082 nan 8.270 nan 0.000 0.431 329 T N -4.196 110.379 114.554 0.035 0.000 3.067 329 T HA 0.147 4.497 4.350 0.000 0.000 0.261 329 T C 1.432 176.252 174.700 0.199 0.000 1.110 329 T CA 0.997 63.202 62.100 0.175 0.000 1.113 329 T CB 0.241 69.222 68.868 0.188 0.000 0.917 329 T HN 0.446 nan 8.240 nan 0.000 0.499 330 G N 0.392 109.171 108.800 -0.036 0.000 2.176 330 G HA2 -0.236 3.724 3.960 0.000 0.000 0.253 330 G HA3 -0.236 3.724 3.960 0.000 0.000 0.253 330 G C -0.214 174.727 174.900 0.068 0.000 0.979 330 G CA 0.073 45.088 45.100 -0.143 0.000 0.641 330 G HN 0.607 nan 8.290 nan 0.000 0.530 331 Y N 0.460 120.791 120.300 0.052 0.000 2.491 331 Y HA 0.455 5.005 4.550 0.000 0.000 0.334 331 Y C -0.957 174.983 175.900 0.067 0.000 0.969 331 Y CA -2.041 56.068 58.100 0.015 0.000 1.241 331 Y CB 1.700 40.016 38.460 -0.239 0.000 1.105 331 Y HN -0.025 nan 8.280 nan 0.000 0.503 332 P HA -0.292 nan 4.420 nan 0.000 0.217 332 P C 1.851 179.225 177.300 0.123 0.000 1.162 332 P CA 1.517 64.696 63.100 0.132 0.000 0.901 332 P CB 0.334 32.043 31.700 0.015 0.000 0.793 333 I N -1.083 119.567 120.570 0.133 0.000 2.286 333 I HA -0.178 3.992 4.170 0.000 0.000 0.248 333 I C 1.936 178.124 176.117 0.119 0.000 1.115 333 I CA 1.550 62.947 61.300 0.161 0.000 1.392 333 I CB -0.693 37.397 38.000 0.149 0.000 1.065 333 I HN -0.225 nan 8.210 nan 0.000 0.418 334 V N 0.619 120.547 119.914 0.024 0.000 2.323 334 V HA -0.221 3.899 4.120 0.000 0.000 0.244 334 V C 2.151 178.207 176.094 -0.063 0.000 1.041 334 V CA 2.040 64.287 62.300 -0.089 0.000 1.025 334 V CB -0.844 30.740 31.823 -0.399 0.000 0.656 334 V HN 0.367 nan 8.190 nan 0.000 0.451 335 D N 0.526 120.928 120.400 0.004 0.000 2.144 335 D HA -0.099 4.541 4.640 0.000 0.000 0.200 335 D C 2.218 178.529 176.300 0.019 0.000 0.978 335 D CA 1.553 55.566 54.000 0.023 0.000 0.833 335 D CB -0.278 40.624 40.800 0.170 0.000 0.961 335 D HN 0.426 nan 8.370 nan 0.000 0.470 336 A N 1.198 124.056 122.820 0.063 0.000 1.902 336 A HA -0.068 4.253 4.320 0.000 0.000 0.217 336 A C 2.338 179.889 177.584 -0.054 0.000 1.181 336 A CA 2.244 54.312 52.037 0.053 0.000 0.623 336 A CB -0.710 18.337 19.000 0.078 0.000 0.818 336 A HN 0.238 nan 8.150 nan 0.000 0.443 337 A N -0.885 121.966 122.820 0.052 0.000 1.902 337 A HA -0.118 4.202 4.320 0.000 0.000 0.217 337 A C 2.134 179.600 177.584 -0.196 0.000 1.181 337 A CA 2.001 54.030 52.037 -0.012 0.000 0.623 337 A CB -0.476 18.544 19.000 0.032 0.000 0.818 337 A HN 0.422 nan 8.150 nan 0.000 0.443 338 M N -0.596 118.883 119.600 -0.202 0.000 2.296 338 M HA -0.048 4.432 4.480 0.000 0.000 0.265 338 M C 2.056 178.212 176.300 -0.241 0.000 1.064 338 M CA 1.092 56.224 55.300 -0.280 0.000 1.109 338 M CB -1.187 31.179 32.600 -0.390 0.000 1.396 338 M HN 0.341 nan 8.290 nan 0.000 0.430 339 R N 0.005 120.389 120.500 -0.194 0.000 2.073 339 R HA -0.116 4.224 4.340 0.000 0.000 0.229 339 R C 2.088 178.201 176.300 -0.312 0.000 1.120 339 R CA 1.121 57.138 56.100 -0.140 0.000 0.967 339 R CB -0.695 29.615 30.300 0.017 0.000 0.862 339 R HN 0.570 nan 8.270 nan 0.000 0.436 340 Q N 0.840 120.232 119.800 -0.680 0.000 2.096 340 Q HA -0.177 4.163 4.340 0.000 0.000 0.204 340 Q C 2.105 177.795 176.000 -0.516 0.000 0.982 340 Q CA 1.413 56.516 55.803 -1.167 0.000 0.850 340 Q CB -0.097 27.790 28.738 -1.419 0.000 0.901 340 Q HN 0.161 nan 8.270 nan 0.000 0.422 341 L N 0.693 121.686 121.223 -0.384 0.000 1.994 341 L HA -0.168 4.173 4.340 0.000 0.000 0.208 341 L C 2.482 179.237 176.870 -0.191 0.000 1.071 341 L CA 2.754 57.416 54.840 -0.297 0.000 0.745 341 L CB -1.103 40.730 42.059 -0.378 0.000 0.892 341 L HN 0.476 nan 8.230 nan 0.000 0.431 342 T N -3.889 110.530 114.554 -0.227 0.000 2.951 342 T HA -0.101 4.249 4.350 0.000 0.000 0.268 342 T C 1.612 176.371 174.700 0.098 0.000 1.073 342 T CA 1.337 63.345 62.100 -0.154 0.000 1.134 342 T CB -0.492 68.238 68.868 -0.230 0.000 0.884 342 T HN 0.544 nan 8.240 nan 0.000 0.479 343 E N 1.088 121.311 120.200 0.038 0.000 2.170 343 E HA 0.006 4.356 4.350 0.000 0.000 0.191 343 E C 2.076 178.760 176.600 0.141 0.000 0.981 343 E CA 1.362 57.808 56.400 0.076 0.000 0.830 343 E CB 0.124 29.879 29.700 0.092 0.000 0.775 343 E HN 0.780 nan 8.360 nan 0.000 0.470 344 T N -3.890 110.785 114.554 0.202 0.000 3.043 344 T HA 0.310 4.660 4.350 0.000 0.000 0.272 344 T C 1.412 176.385 174.700 0.454 0.000 0.990 344 T CA 0.288 62.586 62.100 0.330 0.000 0.897 344 T CB 0.920 69.913 68.868 0.209 0.000 1.111 344 T HN 0.197 nan 8.240 nan 0.000 0.529 345 G N 0.702 109.691 108.800 0.316 0.000 2.168 345 G HA2 -0.249 3.711 3.960 0.000 0.000 0.257 345 G HA3 -0.249 3.711 3.960 0.000 0.000 0.257 345 G C -0.240 174.724 174.900 0.106 0.000 0.997 345 G CA 0.388 45.517 45.100 0.048 0.000 0.708 345 G HN 0.762 nan 8.290 nan 0.000 0.520 346 W N -0.806 120.429 121.300 -0.108 0.000 3.167 346 W HA 0.769 5.429 4.660 0.001 0.000 0.324 346 W C -0.836 175.573 176.519 -0.182 0.000 1.230 346 W CA -1.220 56.047 57.345 -0.128 0.000 1.184 346 W CB 1.218 30.654 29.460 -0.040 0.000 1.414 346 W HN 0.180 nan 8.180 nan 0.000 0.551 347 M N 4.521 123.578 119.600 -0.905 0.000 2.378 347 M HA 0.245 4.725 4.480 0.000 0.000 0.289 347 M C -1.191 174.318 176.300 -1.318 0.000 1.136 347 M CA -0.850 53.974 55.300 -0.794 0.000 0.917 347 M CB 1.732 33.976 32.600 -0.592 0.000 1.669 347 M HN 0.694 nan 8.290 nan 0.000 0.461 348 H N 3.297 121.822 119.070 -0.909 0.000 2.871 348 H HA 0.036 4.592 4.556 0.000 0.000 0.355 348 H C 0.940 175.926 175.328 -0.570 0.000 1.092 348 H CA 1.445 57.070 56.048 -0.705 0.000 1.420 348 H CB 0.768 30.371 29.762 -0.265 0.000 1.400 348 H HN 0.783 nan 8.280 nan 0.000 0.604 349 N N 3.033 121.258 118.700 -0.793 0.000 2.104 349 N HA -0.253 4.487 4.740 0.000 0.000 0.190 349 N C 1.934 177.234 175.510 -0.351 0.000 1.024 349 N CA 1.243 53.969 53.050 -0.539 0.000 0.853 349 N CB -0.001 38.166 38.487 -0.533 0.000 1.008 349 N HN 0.602 nan 8.380 nan 0.000 0.424 350 R N 1.151 121.564 120.500 -0.145 0.000 2.091 350 R HA -0.025 4.315 4.340 0.000 0.000 0.238 350 R C 2.343 178.545 176.300 -0.163 0.000 1.136 350 R CA 1.660 57.649 56.100 -0.186 0.000 0.959 350 R CB -1.199 28.955 30.300 -0.243 0.000 0.856 350 R HN 0.359 nan 8.270 nan 0.000 0.437 351 C N 0.024 119.239 119.300 -0.141 0.000 2.450 351 C HA 0.109 4.569 4.460 0.000 0.000 0.279 351 C C 2.463 177.384 174.990 -0.114 0.000 1.335 351 C CA 0.551 59.488 59.018 -0.135 0.000 1.749 351 C CB -0.835 26.813 27.740 -0.154 0.000 1.963 351 C HN 0.499 nan 8.230 nan 0.000 0.501 352 R N 0.482 120.879 120.500 -0.172 0.000 2.096 352 R HA -0.089 4.252 4.340 0.000 0.000 0.235 352 R C 2.203 178.351 176.300 -0.254 0.000 1.127 352 R CA 1.342 57.386 56.100 -0.094 0.000 0.968 352 R CB -0.308 29.907 30.300 -0.143 0.000 0.861 352 R HN 0.571 nan 8.270 nan 0.000 0.440 353 M N 0.129 119.529 119.600 -0.333 0.000 2.132 353 M HA -0.127 4.353 4.480 0.000 0.000 0.263 353 M C 2.277 178.255 176.300 -0.538 0.000 1.065 353 M CA 1.589 56.603 55.300 -0.475 0.000 1.122 353 M CB -0.250 32.111 32.600 -0.399 0.000 1.365 353 M HN 0.111 nan 8.290 nan 0.000 0.411 354 I N 0.126 120.534 120.570 -0.270 0.000 2.179 354 I HA -0.243 3.928 4.170 0.000 0.000 0.242 354 I C 2.439 178.539 176.117 -0.027 0.000 1.088 354 I CA 1.490 62.722 61.300 -0.114 0.000 1.357 354 I CB -0.522 37.502 38.000 0.040 0.000 1.051 354 I HN 0.230 nan 8.210 nan 0.000 0.409 355 V N -1.055 118.890 119.914 0.052 0.000 2.667 355 V HA -0.033 4.088 4.120 0.000 0.000 0.252 355 V C 2.442 178.742 176.094 0.343 0.000 1.065 355 V CA 1.403 63.896 62.300 0.322 0.000 1.083 355 V CB -0.949 31.114 31.823 0.400 0.000 0.692 355 V HN 0.303 nan 8.190 nan 0.000 0.468 356 A N 0.459 123.203 122.820 -0.128 0.000 1.929 356 A HA -0.108 4.212 4.320 0.000 0.000 0.216 356 A C 2.546 179.965 177.584 -0.276 0.000 1.176 356 A CA 1.962 53.692 52.037 -0.512 0.000 0.628 356 A CB -0.887 17.337 19.000 -1.293 0.000 0.816 356 A HN 0.620 nan 8.150 nan 0.000 0.444 357 S N -1.493 114.009 115.700 -0.330 0.000 2.368 357 S HA -0.141 4.329 4.470 0.000 0.000 0.224 357 S C 1.769 176.303 174.600 -0.109 0.000 1.029 357 S CA 1.476 59.493 58.200 -0.305 0.000 0.988 357 S CB -0.526 62.380 63.200 -0.491 0.000 0.838 357 S HN 0.522 nan 8.310 nan 0.000 0.462 358 F N 1.668 121.549 119.950 -0.115 0.000 2.134 358 F HA -0.003 4.525 4.527 0.000 0.000 0.299 358 F C 1.856 177.605 175.800 -0.084 0.000 1.097 358 F CA 1.427 59.394 58.000 -0.056 0.000 1.264 358 F CB -0.502 38.512 39.000 0.023 0.000 1.001 358 F HN 0.304 nan 8.300 nan 0.000 0.479 359 L N 0.173 121.361 121.223 -0.058 0.000 2.027 359 L HA -0.148 4.193 4.340 0.000 0.000 0.206 359 L C 2.625 179.358 176.870 -0.228 0.000 1.074 359 L CA 2.626 57.245 54.840 -0.369 0.000 0.745 359 L CB -1.318 40.299 42.059 -0.736 0.000 0.898 359 L HN 0.398 nan 8.230 nan 0.000 0.433 360 T N -3.632 110.853 114.554 -0.115 0.000 2.851 360 T HA -0.074 4.277 4.350 0.000 0.000 0.262 360 T C 1.840 176.573 174.700 0.055 0.000 1.043 360 T CA 0.838 62.964 62.100 0.042 0.000 1.140 360 T CB -0.237 68.661 68.868 0.050 0.000 0.872 360 T HN 0.203 nan 8.240 nan 0.000 0.446 361 K N 1.266 121.507 120.400 -0.266 0.000 2.128 361 K HA 0.147 4.467 4.320 0.000 0.000 0.202 361 K C 1.854 178.301 176.600 -0.256 0.000 1.050 361 K CA 1.256 57.221 56.287 -0.537 0.000 0.966 361 K CB -0.448 31.706 32.500 -0.577 0.000 0.759 361 K HN 0.417 nan 8.250 nan 0.000 0.454 362 D N 0.880 121.080 120.400 -0.333 0.000 2.162 362 D HA 0.032 4.672 4.640 0.000 0.000 0.205 362 D C 1.834 177.928 176.300 -0.344 0.000 0.964 362 D CA 0.662 54.407 54.000 -0.426 0.000 0.847 362 D CB 0.110 40.311 40.800 -0.999 0.000 0.988 362 D HN -0.013 nan 8.370 nan 0.000 0.480 363 L N 0.335 121.337 121.223 -0.369 0.000 2.477 363 L HA 0.239 4.579 4.340 0.000 0.000 0.220 363 L C 0.194 177.087 176.870 0.039 0.000 1.106 363 L CA -0.009 54.736 54.840 -0.159 0.000 0.851 363 L CB 0.001 41.960 42.059 -0.168 0.000 0.994 363 L HN 0.063 nan 8.230 nan 0.000 0.462 364 I N 1.100 121.761 120.570 0.150 0.000 6.992 364 I HA -0.270 3.900 4.170 0.000 0.000 0.126 364 I C -0.450 175.942 176.117 0.458 0.000 1.809 364 I CA 0.550 62.128 61.300 0.463 0.000 2.121 364 I CB -1.678 36.585 38.000 0.439 0.000 3.531 364 I HN 0.167 nan 8.210 nan 0.000 0.194 365 I N 1.546 122.245 120.570 0.214 0.000 2.474 365 I HA 0.280 4.450 4.170 0.000 0.000 0.294 365 I C 0.699 176.468 176.117 -0.581 0.000 1.005 365 I CA -0.693 60.563 61.300 -0.072 0.000 1.113 365 I CB 1.641 39.528 38.000 -0.187 0.000 1.289 365 I HN 0.098 nan 8.210 nan 0.000 0.436 366 D N 6.779 126.607 120.400 -0.954 0.000 2.662 366 D HA -0.145 4.495 4.640 0.000 0.000 0.233 366 D C 1.171 176.731 176.300 -1.233 0.000 1.129 366 D CA 0.254 53.170 54.000 -1.807 0.000 0.851 366 D CB 0.682 40.785 40.800 -1.162 0.000 1.152 366 D HN 0.562 nan 8.370 nan 0.000 0.507 367 W N 5.097 125.724 121.300 -1.122 0.000 2.387 367 W HA -0.146 4.515 4.660 0.001 0.000 0.272 367 W C 1.187 177.241 176.519 -0.775 0.000 1.224 367 W CA -0.117 56.807 57.345 -0.701 0.000 1.210 367 W CB -0.701 28.581 29.460 -0.297 0.000 1.125 367 W HN 0.388 nan 8.180 nan 0.000 0.572 368 R N 0.425 120.194 120.500 -1.218 0.000 2.193 368 R HA -0.079 4.261 4.340 0.000 0.000 0.229 368 R C 2.357 178.240 176.300 -0.694 0.000 1.110 368 R CA 1.005 56.503 56.100 -1.004 0.000 0.988 368 R CB -0.256 29.422 30.300 -1.036 0.000 0.871 368 R HN 0.030 nan 8.270 nan 0.000 0.458 369 R N -0.151 119.911 120.500 -0.729 0.000 2.090 369 R HA -0.011 4.329 4.340 0.000 0.000 0.228 369 R C 2.242 178.296 176.300 -0.411 0.000 1.110 369 R CA 1.382 57.099 56.100 -0.638 0.000 0.973 369 R CB -0.799 28.890 30.300 -1.017 0.000 0.869 369 R HN 0.334 nan 8.270 nan 0.000 0.440 370 G N 0.881 109.244 108.800 -0.728 0.000 2.403 370 G HA2 -0.261 3.699 3.960 0.000 0.000 0.216 370 G HA3 -0.261 3.699 3.960 0.000 0.000 0.216 370 G C 1.383 175.585 174.900 -1.162 0.000 1.154 370 G CA 0.513 45.053 45.100 -0.933 0.000 0.784 370 G HN 0.416 nan 8.290 nan 0.000 0.538 371 E N 0.103 119.390 120.200 -1.522 0.000 2.058 371 E HA -0.263 4.087 4.350 0.000 0.000 0.194 371 E C 2.335 178.796 176.600 -0.232 0.000 0.997 371 E CA 1.471 57.266 56.400 -1.008 0.000 0.801 371 E CB -0.243 29.162 29.700 -0.491 0.000 0.746 371 E HN 0.607 nan 8.360 nan 0.000 0.450 372 Q N -0.546 119.157 119.800 -0.160 0.000 2.050 372 Q HA -0.196 4.144 4.340 0.000 0.000 0.202 372 Q C 2.070 178.195 176.000 0.210 0.000 0.980 372 Q CA 1.600 57.417 55.803 0.023 0.000 0.840 372 Q CB -0.265 28.468 28.738 -0.008 0.000 0.898 372 Q HN 0.371 nan 8.270 nan 0.000 0.424 373 F N 0.071 120.159 119.950 0.230 0.000 2.171 373 F HA -0.210 4.317 4.527 0.000 0.000 0.300 373 F C 1.571 177.692 175.800 0.535 0.000 1.090 373 F CA 1.134 59.398 58.000 0.441 0.000 1.293 373 F CB -0.224 39.166 39.000 0.650 0.000 1.013 373 F HN 0.115 nan 8.300 nan 0.000 0.486 374 F N -0.081 120.068 119.950 0.331 0.000 2.134 374 F HA -0.243 4.284 4.527 0.000 0.000 0.299 374 F C 2.333 178.174 175.800 0.069 0.000 1.097 374 F CA 1.210 59.358 58.000 0.247 0.000 1.264 374 F CB -0.941 38.334 39.000 0.459 0.000 1.001 374 F HN -0.046 nan 8.300 nan 0.000 0.479 375 M N -0.607 119.134 119.600 0.235 0.000 2.358 375 M HA -0.176 4.304 4.480 0.000 0.000 0.264 375 M C 1.737 178.013 176.300 -0.040 0.000 1.064 375 M CA 1.281 56.628 55.300 0.078 0.000 1.093 375 M CB -1.366 31.273 32.600 0.064 0.000 1.401 375 M HN 0.275 nan 8.290 nan 0.000 0.440 376 Q N -1.374 118.365 119.800 -0.101 0.000 2.451 376 Q HA -0.060 4.280 4.340 0.000 0.000 0.206 376 Q C 1.131 176.744 176.000 -0.645 0.000 0.947 376 Q CA 0.622 56.237 55.803 -0.312 0.000 0.937 376 Q CB 0.301 28.853 28.738 -0.309 0.000 1.025 376 Q HN 0.622 nan 8.270 nan 0.000 0.511 377 H N -1.737 117.167 119.070 -0.277 0.000 3.583 377 H HA 0.201 4.757 4.556 0.000 0.000 0.251 377 H C 0.003 175.161 175.328 -0.283 0.000 1.060 377 H CA -0.121 55.742 56.048 -0.309 0.000 1.159 377 H CB 0.925 30.437 29.762 -0.416 0.000 1.496 377 H HN 0.070 nan 8.280 nan 0.000 0.540 378 L N 2.024 123.166 121.223 -0.136 0.000 2.410 378 L HA 0.005 4.345 4.340 0.000 0.000 0.273 378 L C 1.748 178.554 176.870 -0.107 0.000 1.144 378 L CA -0.018 54.740 54.840 -0.136 0.000 0.863 378 L CB 1.772 43.758 42.059 -0.122 0.000 1.140 378 L HN 0.003 nan 8.230 nan 0.000 0.463 379 V N 2.711 122.581 119.914 -0.074 0.000 2.759 379 V HA -0.181 3.940 4.120 0.000 0.000 0.256 379 V C 1.373 177.465 176.094 -0.004 0.000 1.080 379 V CA 2.207 64.482 62.300 -0.042 0.000 1.101 379 V CB -0.268 31.573 31.823 0.031 0.000 0.698 379 V HN 1.064 nan 8.190 nan 0.000 0.477 380 D N -0.487 119.914 120.400 0.001 0.000 2.402 380 D HA 0.190 4.830 4.640 0.000 0.000 0.216 380 D C 1.012 177.284 176.300 -0.048 0.000 1.128 380 D CA 0.242 54.228 54.000 -0.024 0.000 0.833 380 D CB -0.511 40.308 40.800 0.032 0.000 0.971 380 D HN 0.354 nan 8.370 nan 0.000 0.503 381 G N 0.645 109.421 108.800 -0.039 0.000 2.138 381 G HA2 0.209 4.169 3.960 0.000 0.000 0.256 381 G HA3 0.209 4.169 3.960 0.000 0.000 0.256 381 G C -0.709 174.165 174.900 -0.044 0.000 1.141 381 G CA 0.023 45.113 45.100 -0.016 0.000 0.967 381 G HN 0.301 nan 8.290 nan 0.000 0.435 382 D N 1.732 122.124 120.400 -0.014 0.000 2.788 382 D HA 0.234 4.874 4.640 0.000 0.000 0.247 382 D C 1.123 177.436 176.300 0.021 0.000 1.236 382 D CA -0.836 53.149 54.000 -0.025 0.000 0.898 382 D CB 1.398 42.176 40.800 -0.036 0.000 1.401 382 D HN 0.112 nan 8.370 nan 0.000 0.549 383 L N 4.732 125.974 121.223 0.033 0.000 1.997 383 L HA -0.103 4.237 4.340 0.000 0.000 0.216 383 L C 1.995 178.904 176.870 0.065 0.000 1.074 383 L CA 2.832 57.709 54.840 0.062 0.000 0.763 383 L CB -0.875 41.227 42.059 0.071 0.000 0.890 383 L HN 0.631 nan 8.230 nan 0.000 0.434 384 A N -0.725 122.136 122.820 0.070 0.000 1.865 384 A HA -0.149 4.171 4.320 0.000 0.000 0.217 384 A C 2.423 180.005 177.584 -0.004 0.000 1.191 384 A CA 2.450 54.537 52.037 0.083 0.000 0.623 384 A CB -1.363 17.717 19.000 0.132 0.000 0.826 384 A HN 0.635 nan 8.150 nan 0.000 0.444 385 A N -0.413 122.394 122.820 -0.023 0.000 1.929 385 A HA -0.146 4.174 4.320 0.000 0.000 0.216 385 A C 1.973 179.423 177.584 -0.223 0.000 1.176 385 A CA 2.005 53.949 52.037 -0.155 0.000 0.628 385 A CB -0.670 18.301 19.000 -0.049 0.000 0.816 385 A HN 0.618 nan 8.150 nan 0.000 0.444 386 N N 0.367 119.042 118.700 -0.042 0.000 2.171 386 N HA -0.151 4.590 4.740 0.000 0.000 0.184 386 N C 1.722 177.317 175.510 0.141 0.000 1.021 386 N CA 1.598 54.710 53.050 0.103 0.000 0.854 386 N CB -0.363 38.254 38.487 0.218 0.000 0.994 386 N HN 0.524 nan 8.380 nan 0.000 0.426 387 N N -0.142 118.600 118.700 0.071 0.000 2.142 387 N HA -0.097 4.643 4.740 0.000 0.000 0.186 387 N C 1.727 177.169 175.510 -0.113 0.000 1.023 387 N CA 1.365 54.467 53.050 0.086 0.000 0.852 387 N CB -0.425 38.135 38.487 0.121 0.000 0.998 387 N HN 0.363 nan 8.380 nan 0.000 0.424 388 G N 0.059 108.668 108.800 -0.319 0.000 2.446 388 G HA2 -0.189 3.771 3.960 0.000 0.000 0.217 388 G HA3 -0.189 3.771 3.960 0.000 0.000 0.217 388 G C 1.543 176.091 174.900 -0.586 0.000 1.168 388 G CA 1.096 45.800 45.100 -0.659 0.000 0.771 388 G HN 0.462 nan 8.290 nan 0.000 0.551 389 G N -0.171 108.271 108.800 -0.597 0.000 2.418 389 G HA2 -0.200 3.760 3.960 0.000 0.000 0.217 389 G HA3 -0.200 3.760 3.960 0.000 0.000 0.217 389 G C 1.609 176.245 174.900 -0.440 0.000 1.158 389 G CA 0.804 45.611 45.100 -0.488 0.000 0.771 389 G HN 0.494 nan 8.290 nan 0.000 0.545 390 W N 0.857 121.933 121.300 -0.372 0.000 2.388 390 W HA 0.043 4.703 4.660 0.001 0.000 0.294 390 W C 3.088 179.099 176.519 -0.846 0.000 1.212 390 W CA 1.029 58.085 57.345 -0.481 0.000 1.271 390 W CB 0.004 29.282 29.460 -0.303 0.000 1.126 390 W HN 0.200 nan 8.180 nan 0.000 0.535 391 Q N -1.459 117.915 119.800 -0.709 0.000 2.167 391 Q HA -0.232 4.108 4.340 0.000 0.000 0.202 391 Q C 1.922 177.615 176.000 -0.511 0.000 0.970 391 Q CA 1.589 56.872 55.803 -0.867 0.000 0.855 391 Q CB -0.828 27.593 28.738 -0.528 0.000 0.911 391 Q HN 0.486 nan 8.270 nan 0.000 0.438 392 W N 1.477 122.512 121.300 -0.440 0.000 2.381 392 W HA -0.155 4.506 4.660 0.000 0.000 0.301 392 W C 2.245 178.526 176.519 -0.396 0.000 1.205 392 W CA 1.729 58.881 57.345 -0.322 0.000 1.285 392 W CB -0.073 29.233 29.460 -0.257 0.000 1.133 392 W HN -0.057 nan 8.180 nan 0.000 0.521 393 S N 0.163 115.726 115.700 -0.228 0.000 2.399 393 S HA -0.123 4.348 4.470 0.000 0.000 0.231 393 S C 1.710 175.990 174.600 -0.532 0.000 1.022 393 S CA 1.276 59.244 58.200 -0.386 0.000 0.983 393 S CB -0.616 62.320 63.200 -0.439 0.000 0.803 393 S HN 0.357 nan 8.310 nan 0.000 0.480 394 A N 1.088 123.540 122.820 -0.613 0.000 2.308 394 A HA 0.408 4.728 4.320 0.000 0.000 0.217 394 A C 1.009 177.980 177.584 -1.021 0.000 1.216 394 A CA 0.528 52.146 52.037 -0.698 0.000 0.864 394 A CB -0.495 18.098 19.000 -0.679 0.000 0.902 394 A HN 0.936 nan 8.150 nan 0.000 0.499 395 S N -0.168 115.035 115.700 -0.829 0.000 3.524 395 S HA -0.181 4.290 4.470 0.000 0.000 0.377 395 S C 0.168 174.322 174.600 -0.744 0.000 0.949 395 S CA 0.659 58.444 58.200 -0.692 0.000 1.264 395 S CB -2.768 60.127 63.200 -0.509 0.000 0.918 395 S HN 1.728 nan 8.310 nan 0.000 0.517 396 S N -0.434 114.859 115.700 -0.679 0.000 2.257 396 S HA 0.682 5.152 4.470 0.000 0.000 0.191 396 S C 0.818 175.396 174.600 -0.036 0.000 1.386 396 S CA -0.328 57.604 58.200 -0.446 0.000 1.233 396 S CB 0.628 63.596 63.200 -0.387 0.000 1.138 396 S HN 1.178 nan 8.310 nan 0.000 0.483 397 G N 1.075 109.897 108.800 0.037 0.000 2.574 397 G HA2 0.456 4.417 3.960 0.000 0.000 0.248 397 G HA3 0.456 4.417 3.960 0.000 0.000 0.248 397 G C 0.682 175.654 174.900 0.120 0.000 1.422 397 G CA -0.899 44.240 45.100 0.064 0.000 1.051 397 G HN 0.449 nan 8.290 nan 0.000 0.560 398 M N -0.298 119.290 119.600 -0.020 0.000 2.492 398 M HA 0.151 4.631 4.480 0.000 0.000 0.262 398 M C -0.358 176.015 176.300 0.122 0.000 1.090 398 M CA 0.940 56.225 55.300 -0.025 0.000 1.110 398 M CB -0.018 32.391 32.600 -0.319 0.000 1.407 398 M HN 0.388 nan 8.290 nan 0.000 0.470 399 D N -1.291 119.183 120.400 0.123 0.000 2.559 399 D HA 0.334 4.974 4.640 0.000 0.000 0.250 399 D C -2.630 173.777 176.300 0.179 0.000 1.135 399 D CA -1.380 52.704 54.000 0.139 0.000 0.955 399 D CB 1.074 41.935 40.800 0.101 0.000 1.442 399 D HN -0.215 nan 8.370 nan 0.000 0.471 400 P HA 0.150 nan 4.420 nan 0.000 0.267 400 P C -1.068 176.341 177.300 0.182 0.000 1.209 400 P CA 0.110 63.346 63.100 0.226 0.000 0.763 400 P CB 0.479 32.288 31.700 0.181 0.000 0.816 401 K N 3.999 124.512 120.400 0.188 0.000 2.385 401 K HA 0.517 4.837 4.320 0.000 0.000 0.248 401 K C -2.478 174.147 176.600 0.041 0.000 0.955 401 K CA -2.227 54.105 56.287 0.076 0.000 0.816 401 K CB 0.844 33.338 32.500 -0.010 0.000 1.250 401 K HN 0.218 nan 8.250 nan 0.000 0.434 402 P HA -0.076 nan 4.420 nan 0.000 0.264 402 P C -0.942 176.288 177.300 -0.116 0.000 1.179 402 P CA -0.261 62.821 63.100 -0.031 0.000 0.763 402 P CB 0.327 32.009 31.700 -0.031 0.000 0.806 403 L N 4.299 125.459 121.223 -0.104 0.000 2.407 403 L HA 0.102 4.442 4.340 0.000 0.000 0.282 403 L C 0.902 177.689 176.870 -0.138 0.000 1.110 403 L CA 0.682 55.428 54.840 -0.157 0.000 0.863 403 L CB -0.365 41.622 42.059 -0.121 0.000 1.207 403 L HN 0.215 nan 8.230 nan 0.000 0.454 404 R N 5.031 125.404 120.500 -0.211 0.000 3.701 404 R HA 0.313 4.653 4.340 0.000 0.000 0.210 404 R C -0.441 175.890 176.300 0.050 0.000 1.598 404 R CA 0.036 56.078 56.100 -0.097 0.000 1.427 404 R CB -0.203 29.940 30.300 -0.261 0.000 1.339 404 R HN 0.523 nan 8.270 nan 0.000 0.720 405 I N 3.435 124.031 120.570 0.042 0.000 2.269 405 I HA 0.124 4.294 4.170 0.000 0.000 0.293 405 I C -0.093 176.194 176.117 0.282 0.000 1.106 405 I CA -0.514 60.839 61.300 0.088 0.000 1.248 405 I CB 0.038 38.031 38.000 -0.012 0.000 1.444 405 I HN 0.189 nan 8.210 nan 0.000 0.497 406 F N 4.346 124.308 119.950 0.020 0.000 2.553 406 F HA 0.050 4.577 4.527 0.001 0.000 0.356 406 F C 1.117 176.955 175.800 0.063 0.000 1.142 406 F CA -0.133 57.901 58.000 0.056 0.000 1.322 406 F CB 0.086 39.115 39.000 0.048 0.000 1.126 406 F HN 0.439 nan 8.300 nan 0.000 0.599 407 N N 4.403 123.188 118.700 0.142 0.000 2.501 407 N HA 0.242 4.982 4.740 0.000 0.000 0.245 407 N C -2.144 173.350 175.510 -0.027 0.000 0.974 407 N CA -2.040 50.955 53.050 -0.092 0.000 0.941 407 N CB 1.594 40.092 38.487 0.018 0.000 1.122 407 N HN 0.100 nan 8.380 nan 0.000 0.507 408 P HA -0.160 nan 4.420 nan 0.000 0.216 408 P C 0.909 178.273 177.300 0.107 0.000 1.157 408 P CA 1.698 64.860 63.100 0.102 0.000 0.880 408 P CB 0.289 32.102 31.700 0.188 0.000 0.791 409 A N -1.026 121.840 122.820 0.077 0.000 1.902 409 A HA -0.167 4.153 4.320 0.000 0.000 0.217 409 A C 2.364 179.974 177.584 0.042 0.000 1.181 409 A CA 2.146 54.222 52.037 0.066 0.000 0.623 409 A CB -1.482 17.552 19.000 0.058 0.000 0.818 409 A HN 0.126 nan 8.150 nan 0.000 0.443 410 S N -0.372 115.344 115.700 0.027 0.000 2.368 410 S HA -0.158 4.312 4.470 0.000 0.000 0.225 410 S C 2.182 176.777 174.600 -0.009 0.000 1.030 410 S CA 1.301 59.499 58.200 -0.003 0.000 0.999 410 S CB -0.293 62.901 63.200 -0.011 0.000 0.844 410 S HN 0.581 nan 8.310 nan 0.000 0.459 411 Q N 1.132 120.976 119.800 0.074 0.000 2.061 411 Q HA -0.035 4.305 4.340 0.000 0.000 0.204 411 Q C 2.548 178.655 176.000 0.178 0.000 0.984 411 Q CA 1.616 57.538 55.803 0.198 0.000 0.846 411 Q CB -0.807 28.107 28.738 0.293 0.000 0.902 411 Q HN 0.572 nan 8.270 nan 0.000 0.421 412 A N 1.250 124.149 122.820 0.131 0.000 1.902 412 A HA -0.209 4.112 4.320 0.000 0.000 0.217 412 A C 2.145 179.765 177.584 0.061 0.000 1.181 412 A CA 1.823 53.931 52.037 0.118 0.000 0.623 412 A CB -0.447 18.616 19.000 0.106 0.000 0.818 412 A HN 0.304 nan 8.150 nan 0.000 0.443 413 K N -0.330 120.076 120.400 0.010 0.000 2.057 413 K HA -0.140 4.180 4.320 0.000 0.000 0.207 413 K C 2.103 178.647 176.600 -0.094 0.000 1.049 413 K CA 1.660 57.930 56.287 -0.028 0.000 0.931 413 K CB -0.149 32.331 32.500 -0.034 0.000 0.714 413 K HN 0.430 nan 8.250 nan 0.000 0.440 414 K N -0.699 119.568 120.400 -0.223 0.000 2.031 414 K HA -0.071 4.249 4.320 0.000 0.000 0.205 414 K C 1.455 177.772 176.600 -0.471 0.000 1.049 414 K CA 1.364 57.346 56.287 -0.510 0.000 0.939 414 K CB 0.058 31.946 32.500 -1.019 0.000 0.717 414 K HN 0.100 nan 8.250 nan 0.000 0.438 415 F N -0.586 119.448 119.950 0.139 0.000 2.695 415 F HA 0.153 4.680 4.527 0.000 0.000 0.303 415 F C 0.235 176.176 175.800 0.235 0.000 1.091 415 F CA -0.186 57.957 58.000 0.237 0.000 1.300 415 F CB 0.593 39.602 39.000 0.015 0.000 1.071 415 F HN -0.109 nan 8.300 nan 0.000 0.578 416 D N -0.398 120.138 120.400 0.227 0.000 3.256 416 D HA 0.365 5.005 4.640 0.000 0.000 0.332 416 D C 1.321 177.667 176.300 0.075 0.000 1.327 416 D CA 0.196 54.289 54.000 0.155 0.000 0.735 416 D CB 0.180 41.084 40.800 0.174 0.000 1.280 416 D HN 0.019 nan 8.370 nan 0.000 0.572 417 A N -0.303 122.534 122.820 0.027 0.000 2.042 417 A HA -0.161 4.160 4.320 0.000 0.000 0.222 417 A C 1.837 179.414 177.584 -0.011 0.000 1.167 417 A CA 2.193 54.224 52.037 -0.010 0.000 0.649 417 A CB -0.484 18.487 19.000 -0.048 0.000 0.809 417 A HN 0.431 nan 8.150 nan 0.000 0.457 418 T N -5.322 109.221 114.554 -0.017 0.000 3.129 418 T HA 0.538 4.888 4.350 0.000 0.000 0.267 418 T C 0.805 175.491 174.700 -0.023 0.000 1.018 418 T CA 0.894 62.974 62.100 -0.032 0.000 0.903 418 T CB 0.106 68.942 68.868 -0.053 0.000 1.067 418 T HN 1.768 nan 8.240 nan 0.000 0.549 419 A N 0.691 123.520 122.820 0.016 0.000 2.816 419 A HA -0.257 4.063 4.320 0.000 0.000 0.270 419 A C 1.596 179.196 177.584 0.027 0.000 1.413 419 A CA 1.470 53.526 52.037 0.032 0.000 0.866 419 A CB -2.779 16.216 19.000 -0.009 0.000 1.032 419 A HN 0.564 nan 8.150 nan 0.000 0.642 420 T N -1.743 112.833 114.554 0.037 0.000 2.708 420 T HA -0.163 4.187 4.350 0.000 0.000 0.266 420 T C 1.505 176.241 174.700 0.059 0.000 1.037 420 T CA 1.994 64.107 62.100 0.021 0.000 1.146 420 T CB -0.280 68.601 68.868 0.023 0.000 0.865 420 T HN 0.792 nan 8.240 nan 0.000 0.435 421 Y N 1.460 121.780 120.300 0.033 0.000 2.200 421 Y HA -0.052 4.498 4.550 0.000 0.000 0.290 421 Y C 2.028 178.010 175.900 0.137 0.000 1.137 421 Y CA 0.873 59.039 58.100 0.111 0.000 1.163 421 Y CB -0.450 38.102 38.460 0.153 0.000 0.988 421 Y HN 0.162 nan 8.280 nan 0.000 0.518 422 I N 0.336 120.997 120.570 0.152 0.000 2.163 422 I HA -0.347 3.823 4.170 0.000 0.000 0.243 422 I C 2.293 178.363 176.117 -0.079 0.000 1.085 422 I CA 1.792 63.119 61.300 0.045 0.000 1.347 422 I CB -0.414 37.627 38.000 0.068 0.000 1.044 422 I HN 0.178 nan 8.210 nan 0.000 0.408 423 K N 0.185 120.528 120.400 -0.096 0.000 2.211 423 K HA -0.181 4.139 4.320 0.000 0.000 0.203 423 K C 2.229 178.700 176.600 -0.215 0.000 1.050 423 K CA 0.872 57.076 56.287 -0.139 0.000 0.945 423 K CB -0.183 32.245 32.500 -0.119 0.000 0.732 423 K HN 0.250 nan 8.250 nan 0.000 0.451 424 R N 0.040 120.353 120.500 -0.312 0.000 2.081 424 R HA -0.151 4.190 4.340 0.000 0.000 0.235 424 R C 1.208 177.043 176.300 -0.775 0.000 1.131 424 R CA 1.606 57.366 56.100 -0.568 0.000 0.960 424 R CB -0.049 29.826 30.300 -0.709 0.000 0.856 424 R HN 0.272 nan 8.270 nan 0.000 0.436 425 W N -0.239 120.893 121.300 -0.280 0.000 3.114 425 W HA 0.261 4.921 4.660 0.000 0.000 0.279 425 W C 0.159 176.582 176.519 -0.160 0.000 1.277 425 W CA -0.337 56.866 57.345 -0.238 0.000 1.630 425 W CB 0.606 29.859 29.460 -0.346 0.000 1.087 425 W HN -0.075 nan 8.180 nan 0.000 0.637 426 L N 2.808 124.014 121.223 -0.029 0.000 2.784 426 L HA 0.232 4.572 4.340 0.000 0.000 0.241 426 L C -1.294 175.523 176.870 -0.088 0.000 1.352 426 L CA -1.254 53.558 54.840 -0.047 0.000 0.911 426 L CB 0.664 42.664 42.059 -0.098 0.000 1.227 426 L HN -0.264 nan 8.230 nan 0.000 0.501 427 P HA -0.229 nan 4.420 nan 0.000 0.220 427 P C 1.006 178.286 177.300 -0.033 0.000 1.144 427 P CA 1.305 64.357 63.100 -0.080 0.000 0.800 427 P CB 0.228 31.876 31.700 -0.087 0.000 0.772 428 E N 0.402 120.593 120.200 -0.015 0.000 2.409 428 E HA -0.093 4.257 4.350 0.000 0.000 0.198 428 E C 1.456 178.111 176.600 0.091 0.000 1.024 428 E CA 0.644 57.065 56.400 0.034 0.000 0.861 428 E CB -0.708 29.018 29.700 0.044 0.000 0.788 428 E HN 0.375 nan 8.360 nan 0.000 0.521 429 L N 0.392 121.595 121.223 -0.034 0.000 2.910 429 L HA 0.323 4.663 4.340 0.000 0.000 0.252 429 L C 1.888 178.638 176.870 -0.200 0.000 1.195 429 L CA -0.305 54.432 54.840 -0.172 0.000 1.003 429 L CB 0.184 42.042 42.059 -0.335 0.000 1.328 429 L HN -0.095 nan 8.230 nan 0.000 0.540 430 R N 0.015 120.491 120.500 -0.039 0.000 2.237 430 R HA -0.122 4.218 4.340 0.000 0.000 0.219 430 R C 2.042 178.317 176.300 -0.042 0.000 1.080 430 R CA 1.077 57.144 56.100 -0.056 0.000 0.995 430 R CB -0.216 30.066 30.300 -0.029 0.000 0.875 430 R HN 0.561 nan 8.270 nan 0.000 0.462 431 H N -1.103 117.930 119.070 -0.063 0.000 2.547 431 H HA 0.105 4.661 4.556 0.000 0.000 0.272 431 H C 0.409 175.718 175.328 -0.032 0.000 0.989 431 H CA 0.114 56.136 56.048 -0.044 0.000 1.214 431 H CB -0.388 29.355 29.762 -0.032 0.000 1.389 431 H HN -0.120 nan 8.280 nan 0.000 0.577 432 V N 2.954 122.551 119.914 -0.527 0.000 2.649 432 V HA -0.003 4.117 4.120 0.000 0.000 0.292 432 V C 0.826 176.840 176.094 -0.135 0.000 1.055 432 V CA -0.576 61.522 62.300 -0.337 0.000 1.023 432 V CB 1.383 32.974 31.823 -0.387 0.000 0.992 432 V HN 0.482 nan 8.190 nan 0.000 0.480 433 H N 6.486 125.485 119.070 -0.119 0.000 2.848 433 H HA 0.109 4.665 4.556 0.000 0.000 0.341 433 H C -1.780 173.503 175.328 -0.075 0.000 1.060 433 H CA -1.543 54.459 56.048 -0.076 0.000 1.444 433 H CB 1.804 31.536 29.762 -0.051 0.000 1.446 433 H HN 0.370 nan 8.280 nan 0.000 0.583 434 P HA -0.214 nan 4.420 nan 0.000 0.216 434 P C 1.527 178.907 177.300 0.133 0.000 1.154 434 P CA 2.008 65.101 63.100 -0.011 0.000 0.865 434 P CB 0.177 31.819 31.700 -0.097 0.000 0.789 435 K N -0.307 120.316 120.400 0.372 0.000 2.059 435 K HA -0.221 4.099 4.320 0.000 0.000 0.212 435 K C 1.417 178.058 176.600 0.067 0.000 1.050 435 K CA 2.087 58.473 56.287 0.164 0.000 0.927 435 K CB -0.475 32.039 32.500 0.023 0.000 0.714 435 K HN 0.056 nan 8.250 nan 0.000 0.447 436 D N 0.380 120.819 120.400 0.065 0.000 2.234 436 D HA -0.074 4.567 4.640 0.000 0.000 0.205 436 D C 1.932 178.230 176.300 -0.003 0.000 0.962 436 D CA 0.690 54.696 54.000 0.011 0.000 0.855 436 D CB 0.053 40.852 40.800 -0.002 0.000 0.951 436 D HN 0.277 nan 8.370 nan 0.000 0.500 437 L N 0.312 121.532 121.223 -0.006 0.000 2.109 437 L HA -0.030 4.310 4.340 0.000 0.000 0.207 437 L C 2.401 179.275 176.870 0.006 0.000 1.086 437 L CA 0.578 55.400 54.840 -0.031 0.000 0.760 437 L CB -0.132 41.894 42.059 -0.055 0.000 0.910 437 L HN -0.021 nan 8.230 nan 0.000 0.437 438 I N -0.428 120.157 120.570 0.025 0.000 2.233 438 I HA -0.235 3.935 4.170 0.000 0.000 0.243 438 I C 2.734 178.871 176.117 0.034 0.000 1.093 438 I CA 1.498 62.821 61.300 0.039 0.000 1.380 438 I CB -0.216 37.807 38.000 0.039 0.000 1.067 438 I HN 0.299 nan 8.210 nan 0.000 0.413 439 S N 0.420 116.132 115.700 0.019 0.000 2.453 439 S HA 0.027 4.498 4.470 0.000 0.000 0.231 439 S C 1.823 176.416 174.600 -0.012 0.000 1.005 439 S CA 0.695 58.903 58.200 0.012 0.000 0.949 439 S CB -0.042 63.161 63.200 0.005 0.000 0.774 439 S HN 0.625 nan 8.310 nan 0.000 0.510 440 G N 0.873 109.658 108.800 -0.024 0.000 2.159 440 G HA2 -0.237 3.723 3.960 0.000 0.000 0.256 440 G HA3 -0.237 3.723 3.960 0.000 0.000 0.256 440 G C -0.253 174.608 174.900 -0.064 0.000 0.977 440 G CA 0.217 45.273 45.100 -0.073 0.000 0.652 440 G HN 0.628 nan 8.290 nan 0.000 0.531 441 E N 0.419 120.601 120.200 -0.030 0.000 2.042 441 E HA 0.498 4.849 4.350 0.000 0.000 0.260 441 E C 0.151 176.750 176.600 -0.002 0.000 0.975 441 E CA -0.321 56.070 56.400 -0.016 0.000 0.799 441 E CB 0.714 30.408 29.700 -0.010 0.000 1.131 441 E HN 0.473 nan 8.360 nan 0.000 0.423 442 I N 2.292 122.871 120.570 0.016 0.000 2.404 442 I HA 0.131 4.301 4.170 0.000 0.000 0.293 442 I C 0.888 177.028 176.117 0.039 0.000 0.992 442 I CA -0.928 60.387 61.300 0.025 0.000 1.149 442 I CB 1.691 39.720 38.000 0.048 0.000 1.315 442 I HN 0.324 nan 8.210 nan 0.000 0.446 443 T N 2.746 117.320 114.554 0.033 0.000 2.940 443 T HA 0.100 4.450 4.350 0.000 0.000 0.309 443 T C -1.858 172.876 174.700 0.056 0.000 1.056 443 T CA -1.080 61.044 62.100 0.038 0.000 1.137 443 T CB 0.779 69.667 68.868 0.034 0.000 0.976 443 T HN 0.348 nan 8.240 nan 0.000 0.547 444 P HA -0.159 nan 4.420 nan 0.000 0.216 444 P C 1.575 178.913 177.300 0.064 0.000 1.157 444 P CA 1.206 64.340 63.100 0.055 0.000 0.880 444 P CB -0.264 31.461 31.700 0.041 0.000 0.791 445 I N -2.693 117.912 120.570 0.057 0.000 2.546 445 I HA -0.093 4.078 4.170 0.000 0.000 0.255 445 I C 1.803 177.972 176.117 0.087 0.000 1.163 445 I CA 1.581 62.916 61.300 0.059 0.000 1.457 445 I CB -1.290 36.736 38.000 0.044 0.000 1.092 445 I HN -0.098 nan 8.210 nan 0.000 0.434 446 E N 1.552 121.817 120.200 0.108 0.000 2.230 446 E HA -0.069 4.281 4.350 0.000 0.000 0.192 446 E C 2.098 178.838 176.600 0.234 0.000 0.987 446 E CA 0.494 57.002 56.400 0.180 0.000 0.841 446 E CB -0.075 29.693 29.700 0.114 0.000 0.783 446 E HN 0.643 nan 8.360 nan 0.000 0.481 447 R N 0.932 121.532 120.500 0.168 0.000 2.235 447 R HA 0.025 4.365 4.340 0.000 0.000 0.213 447 R C 0.411 176.840 176.300 0.215 0.000 1.059 447 R CA 0.272 56.499 56.100 0.212 0.000 0.997 447 R CB -0.544 29.904 30.300 0.246 0.000 0.884 447 R HN -0.044 nan 8.270 nan 0.000 0.462 448 R N 0.739 121.331 120.500 0.154 0.000 3.184 448 R HA -0.237 4.103 4.340 0.000 0.000 0.242 448 R C 0.760 177.124 176.300 0.107 0.000 0.907 448 R CA 0.355 56.515 56.100 0.101 0.000 0.618 448 R CB -1.830 28.507 30.300 0.061 0.000 1.016 448 R HN 0.793 nan 8.270 nan 0.000 0.469 449 G N -0.779 108.086 108.800 0.107 0.000 2.313 449 G HA2 -0.393 3.568 3.960 0.000 0.000 0.215 449 G HA3 -0.393 3.568 3.960 0.000 0.000 0.215 449 G C 0.027 174.999 174.900 0.119 0.000 1.023 449 G CA 0.054 45.210 45.100 0.093 0.000 0.626 449 G HN 0.467 nan 8.290 nan 0.000 0.503 450 Y N 4.575 124.900 120.300 0.043 0.000 2.717 450 Y HA 0.440 4.990 4.550 0.001 0.000 0.330 450 Y C -1.716 174.206 175.900 0.036 0.000 1.217 450 Y CA -1.010 57.113 58.100 0.039 0.000 1.506 450 Y CB 0.457 38.940 38.460 0.039 0.000 1.268 450 Y HN 0.209 nan 8.280 nan 0.000 0.561 451 P HA 0.184 nan 4.420 nan 0.000 0.269 451 P C -1.153 175.954 177.300 -0.323 0.000 1.215 451 P CA 0.032 62.925 63.100 -0.344 0.000 0.780 451 P CB 0.608 32.118 31.700 -0.316 0.000 0.898 452 A N 3.754 126.502 122.820 -0.120 0.000 2.287 452 A HA 0.493 4.813 4.320 0.000 0.000 0.273 452 A C -2.206 175.353 177.584 -0.042 0.000 1.091 452 A CA -1.604 50.401 52.037 -0.052 0.000 0.817 452 A CB -1.159 17.839 19.000 -0.003 0.000 1.069 452 A HN 0.408 nan 8.150 nan 0.000 0.492 453 P HA -0.006 nan 4.420 nan 0.000 0.261 453 P C 0.847 178.261 177.300 0.189 0.000 1.183 453 P CA 0.344 63.478 63.100 0.056 0.000 0.761 453 P CB 0.131 31.790 31.700 -0.069 0.000 0.785 454 I N 2.550 123.298 120.570 0.296 0.000 2.830 454 I HA -0.004 4.166 4.170 0.000 0.000 0.263 454 I C 0.521 176.783 176.117 0.242 0.000 1.230 454 I CA 0.527 61.968 61.300 0.235 0.000 1.480 454 I CB -0.310 37.831 38.000 0.235 0.000 1.095 454 I HN 0.037 nan 8.210 nan 0.000 0.455 455 V N -2.069 118.055 119.914 0.351 0.000 3.216 455 V HA 0.471 4.592 4.120 0.000 0.000 0.302 455 V C -1.044 175.265 176.094 0.359 0.000 1.286 455 V CA -0.937 61.525 62.300 0.270 0.000 1.048 455 V CB 1.615 33.540 31.823 0.171 0.000 1.081 455 V HN 0.274 nan 8.190 nan 0.000 0.442 456 N N 0.322 119.173 118.700 0.252 0.000 2.437 456 N HA 0.253 4.993 4.740 0.000 0.000 0.259 456 N C 0.608 176.281 175.510 0.272 0.000 0.983 456 N CA -0.080 53.130 53.050 0.265 0.000 0.937 456 N CB 1.413 39.997 38.487 0.161 0.000 1.122 456 N HN 1.057 nan 8.380 nan 0.000 0.499 457 H N 4.877 124.130 119.070 0.305 0.000 2.265 457 H HA -0.090 4.466 4.556 0.000 0.000 0.295 457 H C 1.079 176.492 175.328 0.143 0.000 1.084 457 H CA 2.183 58.368 56.048 0.228 0.000 1.261 457 H CB 0.293 30.244 29.762 0.315 0.000 1.360 457 H HN 0.600 nan 8.280 nan 0.000 0.487 458 N N 0.086 118.811 118.700 0.042 0.000 2.104 458 N HA -0.146 4.594 4.740 0.000 0.000 0.190 458 N C 2.083 177.572 175.510 -0.036 0.000 1.024 458 N CA 1.238 54.266 53.050 -0.035 0.000 0.853 458 N CB -0.537 37.991 38.487 0.068 0.000 1.008 458 N HN 0.340 nan 8.380 nan 0.000 0.424 459 L N 1.800 123.035 121.223 0.020 0.000 2.027 459 L HA -0.053 4.287 4.340 0.000 0.000 0.206 459 L C 2.117 178.996 176.870 0.016 0.000 1.074 459 L CA 1.593 56.450 54.840 0.029 0.000 0.745 459 L CB -0.351 41.740 42.059 0.054 0.000 0.898 459 L HN -0.017 nan 8.230 nan 0.000 0.433 460 R N -0.415 120.088 120.500 0.005 0.000 2.096 460 R HA -0.176 4.164 4.340 0.000 0.000 0.235 460 R C 2.177 178.478 176.300 0.002 0.000 1.127 460 R CA 1.529 57.635 56.100 0.011 0.000 0.968 460 R CB -0.888 29.404 30.300 -0.013 0.000 0.861 460 R HN 0.630 nan 8.270 nan 0.000 0.440 461 Q N 1.178 120.902 119.800 -0.126 0.000 2.084 461 Q HA -0.150 4.190 4.340 0.000 0.000 0.202 461 Q C 1.696 177.719 176.000 0.038 0.000 0.978 461 Q CA 1.615 57.346 55.803 -0.119 0.000 0.844 461 Q CB 0.130 28.691 28.738 -0.294 0.000 0.898 461 Q HN 0.271 nan 8.270 nan 0.000 0.426 462 K N -0.124 120.291 120.400 0.024 0.000 2.057 462 K HA -0.150 4.170 4.320 0.000 0.000 0.206 462 K C 2.190 178.840 176.600 0.084 0.000 1.050 462 K CA 1.512 57.833 56.287 0.056 0.000 0.935 462 K CB -0.037 32.483 32.500 0.034 0.000 0.715 462 K HN 0.355 nan 8.250 nan 0.000 0.439 463 Q N -0.212 119.637 119.800 0.083 0.000 2.170 463 Q HA -0.160 4.180 4.340 0.000 0.000 0.203 463 Q C 1.938 178.013 176.000 0.124 0.000 0.976 463 Q CA 1.247 57.098 55.803 0.079 0.000 0.858 463 Q CB -0.158 28.621 28.738 0.068 0.000 0.907 463 Q HN 0.266 nan 8.270 nan 0.000 0.433 464 F N 1.810 121.794 119.950 0.056 0.000 2.128 464 F HA -0.083 4.444 4.527 0.000 0.000 0.295 464 F C 1.945 177.842 175.800 0.161 0.000 1.100 464 F CA 1.234 59.313 58.000 0.131 0.000 1.260 464 F CB 0.106 39.170 39.000 0.107 0.000 1.009 464 F HN -0.195 nan 8.300 nan 0.000 0.476 465 K N 0.312 120.936 120.400 0.373 0.000 2.103 465 K HA -0.178 4.142 4.320 0.000 0.000 0.207 465 K C 2.276 178.970 176.600 0.156 0.000 1.048 465 K CA 1.220 57.682 56.287 0.293 0.000 0.930 465 K CB -0.567 32.065 32.500 0.220 0.000 0.716 465 K HN 0.368 nan 8.250 nan 0.000 0.444 466 A N 1.628 124.491 122.820 0.073 0.000 1.877 466 A HA -0.158 4.162 4.320 0.000 0.000 0.216 466 A C 2.153 179.689 177.584 -0.079 0.000 1.186 466 A CA 1.314 53.349 52.037 -0.003 0.000 0.620 466 A CB -0.728 18.264 19.000 -0.015 0.000 0.822 466 A HN 0.161 nan 8.150 nan 0.000 0.443 467 L N -2.061 119.077 121.223 -0.143 0.000 2.042 467 L HA -0.233 4.108 4.340 0.000 0.000 0.210 467 L C 2.605 179.297 176.870 -0.297 0.000 1.076 467 L CA 2.001 56.650 54.840 -0.318 0.000 0.749 467 L CB -0.756 40.995 42.059 -0.512 0.000 0.893 467 L HN 0.599 nan 8.230 nan 0.000 0.432 468 Y N 1.569 121.701 120.300 -0.280 0.000 2.060 468 Y HA -0.282 4.268 4.550 0.000 0.000 0.276 468 Y C 2.642 178.438 175.900 -0.173 0.000 1.127 468 Y CA 1.784 59.773 58.100 -0.185 0.000 1.104 468 Y CB -0.592 37.828 38.460 -0.067 0.000 0.983 468 Y HN 0.180 nan 8.280 nan 0.000 0.483 469 N N 0.559 119.153 118.700 -0.176 0.000 2.091 469 N HA -0.291 4.450 4.740 0.000 0.000 0.193 469 N C 1.943 177.299 175.510 -0.257 0.000 1.021 469 N CA 1.843 54.739 53.050 -0.256 0.000 0.862 469 N CB -0.709 37.736 38.487 -0.071 0.000 1.018 469 N HN 0.621 nan 8.380 nan 0.000 0.429 470 Q N 0.238 119.913 119.800 -0.209 0.000 2.096 470 Q HA -0.139 4.201 4.340 0.000 0.000 0.204 470 Q C 2.079 177.932 176.000 -0.246 0.000 0.982 470 Q CA 1.197 56.880 55.803 -0.201 0.000 0.850 470 Q CB -0.080 28.543 28.738 -0.191 0.000 0.901 470 Q HN 0.241 nan 8.270 nan 0.000 0.422 471 L N 0.894 121.926 121.223 -0.318 0.000 2.072 471 L HA -0.094 4.246 4.340 0.000 0.000 0.205 471 L C 2.242 178.914 176.870 -0.330 0.000 1.079 471 L CA 1.800 56.442 54.840 -0.329 0.000 0.752 471 L CB -0.451 41.371 42.059 -0.394 0.000 0.906 471 L HN 0.097 nan 8.230 nan 0.000 0.436 472 K N -0.650 119.487 120.400 -0.437 0.000 2.152 472 K HA -0.193 4.127 4.320 0.000 0.000 0.206 472 K C 1.824 178.267 176.600 -0.260 0.000 1.048 472 K CA 1.318 57.355 56.287 -0.416 0.000 0.933 472 K CB -0.085 32.067 32.500 -0.579 0.000 0.721 472 K HN 0.479 nan 8.250 nan 0.000 0.447 473 A N 0.968 123.650 122.820 -0.229 0.000 1.855 473 A HA 0.130 4.450 4.320 0.000 0.000 0.213 473 A C 1.580 179.079 177.584 -0.141 0.000 1.195 473 A CA 1.087 53.028 52.037 -0.159 0.000 0.610 473 A CB -0.403 18.514 19.000 -0.139 0.000 0.837 473 A HN 0.335 nan 8.150 nan 0.000 0.444 474 A N -0.155 122.571 122.820 -0.155 0.000 3.063 474 A HA 0.609 4.929 4.320 0.000 0.000 0.263 474 A C 0.080 177.581 177.584 -0.138 0.000 1.736 474 A CA 0.170 52.126 52.037 -0.135 0.000 1.408 474 A CB -1.001 17.916 19.000 -0.139 0.000 1.108 474 A HN 0.518 nan 8.150 nan 0.000 0.621 475 I N 0.000 120.495 120.570 -0.124 0.000 2.984 475 I HA 0.000 4.170 4.170 0.000 0.000 0.288 475 I CA 0.000 61.232 61.300 -0.114 0.000 1.566 475 I CB 0.000 37.913 38.000 -0.145 0.000 1.214 475 I HN 0.000 nan 8.210 nan 0.000 0.494