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 2gc7_1_I DATA FIRST_RESID 5 DATA SEQUENCE EAETQAQETQ GQAAARAAAA DLAAGQDDEP RILEAPAPDA RRVYVNDPAH DATA SEQUENCE FAAVTQQFVI DGEAGRVIGM IDGGFLPNPV VADDGSFIAH ASTVFSRIAR DATA SEQUENCE GERTDYVEVF DPVTLLPTAD IELPDAPRFL VGTYPWMTSL TPDGKTLLFY DATA SEQUENCE QFSPAPAVGV VDLEGKAFKR MLDVPDcYHI FPTAPDTFFM HcRDGSLAKV DATA SEQUENCE AFGTEGTPEI THTEVFHPED EFLINHPAYS QKAGRLVWPT YTGKIHQIDL DATA SEQUENCE SSGDAKFLPA VEALTEAERA DGWRPGGWQQ VAYHRALDRI YLLVDQRDEW DATA SEQUENCE RHKTASRFVV VLDAKTGERL AKFEMGHEID SINVSQDEKP LLYALSTGDK DATA SEQUENCE TLYIHDAESG EELRSVNQLG HGPQVITTAD MG 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 5 E HA 0.000 nan 4.350 nan 0.000 0.291 5 E C 0.000 176.586 176.600 -0.023 0.000 1.382 5 E CA 0.000 56.386 56.400 -0.022 0.000 0.976 5 E CB 0.000 29.689 29.700 -0.019 0.000 0.812 6 A N 1.685 124.487 122.820 -0.029 0.000 2.305 6 A HA 0.561 4.882 4.320 0.000 0.000 0.322 6 A C -0.712 176.851 177.584 -0.035 0.000 1.187 6 A CA -0.262 51.759 52.037 -0.026 0.000 0.825 6 A CB 0.730 19.715 19.000 -0.024 0.000 1.164 6 A HN 0.077 nan 8.150 nan 0.000 0.498 7 E N 1.527 121.710 120.200 -0.029 0.000 2.156 7 E HA 0.383 4.733 4.350 0.000 0.000 0.279 7 E C 0.125 176.705 176.600 -0.033 0.000 0.965 7 E CA -0.477 55.903 56.400 -0.034 0.000 0.789 7 E CB 1.445 31.129 29.700 -0.027 0.000 1.098 7 E HN 0.783 nan 8.360 nan 0.000 0.397 8 T N -0.173 114.353 114.554 -0.046 0.000 2.828 8 T HA -0.022 4.328 4.350 0.000 0.000 0.290 8 T C 1.163 175.843 174.700 -0.033 0.000 1.019 8 T CA -0.399 61.675 62.100 -0.044 0.000 1.031 8 T CB 1.436 70.261 68.868 -0.070 0.000 1.001 8 T HN 0.536 nan 8.240 nan 0.000 0.531 9 Q N 0.919 120.704 119.800 -0.025 0.000 2.096 9 Q HA -0.122 4.219 4.340 0.000 0.000 0.204 9 Q C 2.432 178.416 176.000 -0.027 0.000 0.982 9 Q CA 1.881 57.671 55.803 -0.021 0.000 0.850 9 Q CB -0.816 27.912 28.738 -0.017 0.000 0.901 9 Q HN 0.935 nan 8.270 nan 0.000 0.422 10 A N 0.205 123.005 122.820 -0.034 0.000 1.902 10 A HA -0.250 4.070 4.320 0.000 0.000 0.217 10 A C 1.952 179.515 177.584 -0.035 0.000 1.181 10 A CA 1.587 53.602 52.037 -0.035 0.000 0.623 10 A CB -0.545 18.429 19.000 -0.043 0.000 0.818 10 A HN 0.514 nan 8.150 nan 0.000 0.443 11 Q N -0.528 119.247 119.800 -0.040 0.000 2.061 11 Q HA -0.224 4.116 4.340 0.000 0.000 0.204 11 Q C 2.055 178.038 176.000 -0.029 0.000 0.984 11 Q CA 1.764 57.544 55.803 -0.038 0.000 0.846 11 Q CB -0.238 28.474 28.738 -0.044 0.000 0.902 11 Q HN 0.775 nan 8.270 nan 0.000 0.421 12 E N -0.165 120.019 120.200 -0.026 0.000 2.058 12 E HA -0.186 4.164 4.350 0.000 0.000 0.194 12 E C 2.097 178.686 176.600 -0.019 0.000 0.997 12 E CA 1.646 58.034 56.400 -0.020 0.000 0.801 12 E CB -0.128 29.561 29.700 -0.018 0.000 0.746 12 E HN 0.320 nan 8.360 nan 0.000 0.450 13 T N 1.553 116.095 114.554 -0.020 0.000 2.607 13 T HA -0.253 4.097 4.350 0.000 0.000 0.267 13 T C 1.923 176.612 174.700 -0.017 0.000 1.049 13 T CA 1.810 63.899 62.100 -0.018 0.000 1.162 13 T CB -0.352 68.505 68.868 -0.019 0.000 0.863 13 T HN 0.255 nan 8.240 nan 0.000 0.424 14 Q N 0.283 120.071 119.800 -0.020 0.000 2.084 14 Q HA -0.032 4.308 4.340 0.000 0.000 0.202 14 Q C 2.779 178.768 176.000 -0.017 0.000 0.978 14 Q CA 1.385 57.176 55.803 -0.019 0.000 0.844 14 Q CB -0.544 28.180 28.738 -0.023 0.000 0.898 14 Q HN 0.608 nan 8.270 nan 0.000 0.426 15 G N 0.923 109.712 108.800 -0.018 0.000 2.418 15 G HA2 -0.274 3.686 3.960 0.000 0.000 0.217 15 G HA3 -0.274 3.686 3.960 0.000 0.000 0.217 15 G C 1.288 176.180 174.900 -0.013 0.000 1.158 15 G CA 0.609 45.700 45.100 -0.016 0.000 0.771 15 G HN 0.289 nan 8.290 nan 0.000 0.545 16 Q N 0.162 119.955 119.800 -0.013 0.000 2.083 16 Q HA 0.102 4.443 4.340 0.000 0.000 0.198 16 Q C 3.036 179.030 176.000 -0.010 0.000 0.969 16 Q CA 1.056 56.852 55.803 -0.011 0.000 0.838 16 Q CB -0.250 28.481 28.738 -0.011 0.000 0.900 16 Q HN 0.449 nan 8.270 nan 0.000 0.436 17 A N 1.421 124.235 122.820 -0.011 0.000 1.908 17 A HA -0.173 4.147 4.320 0.000 0.000 0.218 17 A C 2.330 179.909 177.584 -0.009 0.000 1.181 17 A CA 1.742 53.773 52.037 -0.010 0.000 0.627 17 A CB -0.881 18.113 19.000 -0.011 0.000 0.818 17 A HN 0.400 nan 8.150 nan 0.000 0.445 18 A N -0.371 122.443 122.820 -0.010 0.000 1.972 18 A HA 0.179 4.499 4.320 0.000 0.000 0.219 18 A C 2.445 180.025 177.584 -0.008 0.000 1.169 18 A CA 1.990 54.022 52.037 -0.009 0.000 0.635 18 A CB -0.852 18.142 19.000 -0.010 0.000 0.810 18 A HN 1.044 nan 8.150 nan 0.000 0.446 19 A N -0.152 122.663 122.820 -0.008 0.000 1.930 19 A HA -0.112 4.208 4.320 0.000 0.000 0.217 19 A C 2.243 179.823 177.584 -0.006 0.000 1.175 19 A CA 1.293 53.326 52.037 -0.007 0.000 0.627 19 A CB -0.408 18.588 19.000 -0.007 0.000 0.815 19 A HN 0.545 nan 8.150 nan 0.000 0.443 20 R N -0.429 120.067 120.500 -0.006 0.000 2.073 20 R HA -0.077 4.263 4.340 0.000 0.000 0.234 20 R C 2.506 178.803 176.300 -0.005 0.000 1.134 20 R CA 1.246 57.343 56.100 -0.006 0.000 0.952 20 R CB -0.509 29.788 30.300 -0.006 0.000 0.850 20 R HN 0.496 nan 8.270 nan 0.000 0.433 21 A N 1.445 124.262 122.820 -0.005 0.000 1.902 21 A HA -0.110 4.210 4.320 0.000 0.000 0.217 21 A C 2.407 179.988 177.584 -0.004 0.000 1.181 21 A CA 1.704 53.738 52.037 -0.005 0.000 0.623 21 A CB -0.624 18.373 19.000 -0.005 0.000 0.818 21 A HN 0.400 nan 8.150 nan 0.000 0.443 22 A N -0.130 122.688 122.820 -0.005 0.000 1.877 22 A HA 0.154 4.474 4.320 0.000 0.000 0.216 22 A C 2.519 180.100 177.584 -0.004 0.000 1.186 22 A CA 2.155 54.189 52.037 -0.004 0.000 0.620 22 A CB -1.056 17.942 19.000 -0.005 0.000 0.822 22 A HN 1.077 nan 8.150 nan 0.000 0.443 23 A N -0.206 122.612 122.820 -0.004 0.000 1.933 23 A HA 0.163 4.483 4.320 0.000 0.000 0.218 23 A C 2.495 180.077 177.584 -0.003 0.000 1.175 23 A CA 2.098 54.133 52.037 -0.004 0.000 0.628 23 A CB -0.974 18.024 19.000 -0.004 0.000 0.814 23 A HN 1.038 nan 8.150 nan 0.000 0.444 24 A N 0.116 122.934 122.820 -0.003 0.000 1.877 24 A HA -0.173 4.147 4.320 0.000 0.000 0.216 24 A C 1.763 179.346 177.584 -0.003 0.000 1.186 24 A CA 1.874 53.909 52.037 -0.003 0.000 0.620 24 A CB -0.604 18.395 19.000 -0.003 0.000 0.822 24 A HN 0.442 nan 8.150 nan 0.000 0.443 25 D N -0.197 120.202 120.400 -0.003 0.000 2.144 25 D HA -0.122 4.518 4.640 0.000 0.000 0.199 25 D C 1.882 178.181 176.300 -0.002 0.000 0.984 25 D CA 0.746 54.745 54.000 -0.002 0.000 0.834 25 D CB -0.346 40.453 40.800 -0.002 0.000 0.955 25 D HN 0.409 nan 8.370 nan 0.000 0.465 26 L N 0.477 121.699 121.223 -0.002 0.000 2.017 26 L HA -0.167 4.173 4.340 0.000 0.000 0.208 26 L C 2.225 179.094 176.870 -0.002 0.000 1.073 26 L CA 1.359 56.198 54.840 -0.002 0.000 0.745 26 L CB -0.253 41.805 42.059 -0.002 0.000 0.894 26 L HN -0.019 nan 8.230 nan 0.000 0.432 27 A N -0.193 122.626 122.820 -0.002 0.000 1.908 27 A HA -0.175 4.145 4.320 0.000 0.000 0.218 27 A C 2.223 179.806 177.584 -0.002 0.000 1.181 27 A CA 1.641 53.676 52.037 -0.002 0.000 0.627 27 A CB -0.748 18.250 19.000 -0.002 0.000 0.818 27 A HN 0.533 nan 8.150 nan 0.000 0.445 28 A N -1.559 121.260 122.820 -0.002 0.000 2.235 28 A HA 0.396 4.716 4.320 0.000 0.000 0.208 28 A C 1.718 179.302 177.584 -0.001 0.000 1.172 28 A CA 1.172 53.208 52.037 -0.001 0.000 0.786 28 A CB -1.177 17.822 19.000 -0.001 0.000 0.804 28 A HN 1.970 nan 8.150 nan 0.000 0.479 29 G N -0.707 108.092 108.800 -0.001 0.000 2.198 29 G HA2 -0.219 3.741 3.960 0.000 0.000 0.257 29 G HA3 -0.219 3.741 3.960 0.000 0.000 0.257 29 G C -0.189 174.711 174.900 -0.001 0.000 1.042 29 G CA 0.126 45.225 45.100 -0.001 0.000 0.791 29 G HN 0.491 nan 8.290 nan 0.000 0.502 30 Q N 1.038 120.838 119.800 -0.001 0.000 2.323 30 Q HA 0.283 4.623 4.340 0.000 0.000 0.257 30 Q C -0.082 175.918 176.000 -0.001 0.000 1.022 30 Q CA -0.155 55.647 55.803 -0.001 0.000 0.919 30 Q CB 0.959 29.696 28.738 -0.001 0.000 1.220 30 Q HN 0.418 nan 8.270 nan 0.000 0.427 31 D N 2.066 122.466 120.400 -0.001 0.000 2.389 31 D HA 0.059 4.699 4.640 0.000 0.000 0.247 31 D C -0.401 175.899 176.300 -0.001 0.000 1.128 31 D CA 0.094 54.094 54.000 -0.001 0.000 0.884 31 D CB 0.716 41.516 40.800 -0.000 0.000 1.194 31 D HN 0.182 nan 8.370 nan 0.000 0.441 32 D N 1.826 122.226 120.400 -0.001 0.000 2.348 32 D HA 0.107 4.747 4.640 0.000 0.000 0.253 32 D C -0.019 176.281 176.300 -0.001 0.000 1.161 32 D CA 0.224 54.223 54.000 -0.001 0.000 0.876 32 D CB 0.570 41.370 40.800 -0.001 0.000 1.160 32 D HN 0.294 nan 8.370 nan 0.000 0.459 33 E N 2.437 122.637 120.200 -0.000 0.000 2.795 33 E HA 0.275 4.625 4.350 0.000 0.000 0.226 33 E C -2.229 174.371 176.600 0.000 0.000 1.088 33 E CA -1.553 54.847 56.400 0.000 0.000 0.812 33 E CB 0.945 30.645 29.700 0.000 0.000 1.328 33 E HN 0.133 nan 8.360 nan 0.000 0.410 34 P HA -0.048 nan 4.420 nan 0.000 0.262 34 P C -0.514 176.786 177.300 0.001 0.000 1.182 34 P CA 0.304 63.404 63.100 -0.000 0.000 0.761 34 P CB 0.491 32.191 31.700 -0.000 0.000 0.795 35 R N 1.709 122.209 120.500 0.001 0.000 2.795 35 R HA 0.625 4.965 4.340 0.000 0.000 0.268 35 R C -1.077 175.224 176.300 0.002 0.000 1.041 35 R CA -1.081 55.020 56.100 0.002 0.000 0.927 35 R CB 1.012 31.314 30.300 0.002 0.000 1.235 35 R HN 0.184 nan 8.270 nan 0.000 0.463 36 I N 2.395 122.967 120.570 0.003 0.000 2.325 36 I HA 0.218 4.388 4.170 0.000 0.000 0.291 36 I C 0.287 176.406 176.117 0.003 0.000 1.019 36 I CA -0.739 60.562 61.300 0.003 0.000 1.302 36 I CB 1.068 39.071 38.000 0.006 0.000 1.401 36 I HN 0.303 nan 8.210 nan 0.000 0.485 37 L N 6.421 127.645 121.223 0.001 0.000 2.466 37 L HA 0.317 4.657 4.340 0.000 0.000 0.257 37 L C 0.408 177.279 176.870 0.002 0.000 1.189 37 L CA -0.359 54.481 54.840 0.000 0.000 0.813 37 L CB 0.629 42.686 42.059 -0.004 0.000 1.118 37 L HN 0.656 nan 8.230 nan 0.000 0.471 38 E N 0.675 120.877 120.200 0.003 0.000 2.256 38 E HA 0.677 5.027 4.350 0.000 0.000 0.267 38 E C -1.203 175.398 176.600 0.001 0.000 0.892 38 E CA -1.083 55.321 56.400 0.007 0.000 0.775 38 E CB 1.864 31.572 29.700 0.013 0.000 1.207 38 E HN 0.558 nan 8.360 nan 0.000 0.420 39 A N 3.315 126.135 122.820 -0.000 0.000 2.386 39 A HA 0.383 4.703 4.320 0.000 0.000 0.248 39 A C -1.916 175.666 177.584 -0.003 0.000 1.082 39 A CA -1.121 50.910 52.037 -0.009 0.000 0.789 39 A CB -0.401 18.588 19.000 -0.018 0.000 1.025 39 A HN 0.638 nan 8.150 nan 0.000 0.490 40 P HA 0.251 nan 4.420 nan 0.000 0.270 40 P C -0.047 177.254 177.300 0.002 0.000 1.223 40 P CA 0.134 63.231 63.100 -0.004 0.000 0.785 40 P CB 0.464 32.158 31.700 -0.011 0.000 0.923 41 A N 3.685 126.511 122.820 0.010 0.000 2.531 41 A HA 0.254 4.574 4.320 0.000 0.000 0.236 41 A C -1.678 175.917 177.584 0.017 0.000 1.062 41 A CA -0.826 51.223 52.037 0.019 0.000 0.760 41 A CB -1.455 17.558 19.000 0.022 0.000 0.995 41 A HN 0.460 nan 8.150 nan 0.000 0.501 42 P HA 0.247 nan 4.420 nan 0.000 0.271 42 P C -1.129 176.190 177.300 0.031 0.000 1.216 42 P CA 0.104 63.224 63.100 0.034 0.000 0.771 42 P CB 0.877 32.617 31.700 0.067 0.000 0.864 43 D N 0.974 121.390 120.400 0.026 0.000 2.636 43 D HA 0.412 5.052 4.640 0.000 0.000 0.275 43 D C 0.964 177.289 176.300 0.042 0.000 1.130 43 D CA -1.001 53.017 54.000 0.030 0.000 1.031 43 D CB 0.099 40.912 40.800 0.022 0.000 1.451 43 D HN 0.153 nan 8.370 nan 0.000 0.505 44 A N -0.582 122.265 122.820 0.045 0.000 2.076 44 A HA -0.150 4.170 4.320 0.000 0.000 0.220 44 A C 1.645 179.281 177.584 0.086 0.000 1.160 44 A CA 1.053 53.127 52.037 0.061 0.000 0.653 44 A CB -0.543 18.488 19.000 0.053 0.000 0.801 44 A HN 0.383 nan 8.150 nan 0.000 0.455 45 R N -0.568 119.975 120.500 0.072 0.000 2.317 45 R HA 0.107 4.447 4.340 0.000 0.000 0.208 45 R C 0.764 177.104 176.300 0.068 0.000 0.914 45 R CA -0.060 56.100 56.100 0.100 0.000 1.060 45 R CB -0.545 29.796 30.300 0.068 0.000 1.015 45 R HN 0.567 nan 8.270 nan 0.000 0.498 46 R N 1.190 121.696 120.500 0.010 0.000 2.490 46 R HA 0.249 4.589 4.340 0.000 0.000 0.280 46 R C -0.869 175.346 176.300 -0.141 0.000 1.077 46 R CA 0.013 56.051 56.100 -0.103 0.000 1.065 46 R CB 0.944 31.166 30.300 -0.130 0.000 1.003 46 R HN -0.105 nan 8.270 nan 0.000 0.470 47 V N 5.539 125.264 119.914 -0.315 0.000 2.760 47 V HA 0.442 4.562 4.120 0.000 0.000 0.309 47 V C -1.821 174.038 176.094 -0.391 0.000 1.077 47 V CA -0.696 61.396 62.300 -0.347 0.000 0.910 47 V CB 1.831 33.218 31.823 -0.728 0.000 1.008 47 V HN 0.756 nan 8.190 nan 0.000 0.424 48 Y N 4.324 124.534 120.300 -0.150 0.000 2.341 48 Y HA 0.715 5.265 4.550 0.000 0.000 0.337 48 Y C 0.087 175.947 175.900 -0.067 0.000 1.014 48 Y CA -0.789 57.261 58.100 -0.084 0.000 1.111 48 Y CB 2.130 40.554 38.460 -0.060 0.000 1.194 48 Y HN 0.413 nan 8.280 nan 0.000 0.462 49 V N 3.890 123.879 119.914 0.124 0.000 2.407 49 V HA 0.345 4.465 4.120 0.000 0.000 0.291 49 V C -0.814 175.390 176.094 0.183 0.000 1.018 49 V CA -1.078 61.281 62.300 0.098 0.000 0.842 49 V CB 1.424 33.251 31.823 0.007 0.000 0.996 49 V HN 0.735 nan 8.190 nan 0.000 0.426 50 N N 2.629 121.404 118.700 0.125 0.000 2.456 50 N HA 0.458 5.198 4.740 0.000 0.000 0.288 50 N C -0.946 174.610 175.510 0.077 0.000 1.059 50 N CA -0.494 52.622 53.050 0.110 0.000 0.946 50 N CB 1.436 39.968 38.487 0.075 0.000 1.150 50 N HN 0.704 nan 8.380 nan 0.000 0.479 51 D N 2.080 122.534 120.400 0.090 0.000 2.472 51 D HA 0.351 4.991 4.640 0.000 0.000 0.234 51 D C -2.163 174.123 176.300 -0.023 0.000 1.088 51 D CA -2.235 51.785 54.000 0.033 0.000 0.882 51 D CB 1.340 42.233 40.800 0.155 0.000 1.037 51 D HN 0.254 nan 8.370 nan 0.000 0.520 52 P HA 0.099 nan 4.420 nan 0.000 0.234 52 P C 0.150 177.369 177.300 -0.134 0.000 1.167 52 P CA 0.554 63.580 63.100 -0.123 0.000 0.763 52 P CB 0.085 31.664 31.700 -0.202 0.000 0.835 53 A N -0.036 122.680 122.820 -0.173 0.000 2.704 53 A HA -0.257 4.063 4.320 0.000 0.000 0.299 53 A C 0.217 177.708 177.584 -0.155 0.000 1.507 53 A CA 1.020 52.975 52.037 -0.136 0.000 0.776 53 A CB -2.789 16.247 19.000 0.060 0.000 1.027 53 A HN 0.494 nan 8.150 nan 0.000 0.475 54 H N -2.907 116.021 119.070 -0.238 0.000 2.713 54 H HA -0.237 4.319 4.556 0.000 0.000 0.311 54 H C 0.521 175.712 175.328 -0.227 0.000 1.175 54 H CA 1.622 57.438 56.048 -0.385 0.000 1.143 54 H CB -2.183 27.459 29.762 -0.199 0.000 1.434 54 H HN 1.597 nan 8.280 nan 0.000 0.418 55 F N -4.027 115.972 119.950 0.082 0.000 2.965 55 F HA -0.207 4.320 4.527 0.000 0.000 0.287 55 F C 1.349 177.311 175.800 0.271 0.000 0.790 55 F CA 0.105 58.210 58.000 0.175 0.000 1.279 55 F CB -1.889 37.223 39.000 0.186 0.000 1.409 55 F HN 0.567 nan 8.300 nan 0.000 0.446 56 A N 0.285 123.283 122.820 0.297 0.000 2.386 56 A HA 0.682 5.002 4.320 0.000 0.000 0.248 56 A C 1.491 179.247 177.584 0.287 0.000 1.082 56 A CA 0.241 52.400 52.037 0.202 0.000 0.789 56 A CB 0.478 19.528 19.000 0.082 0.000 1.025 56 A HN 0.977 nan 8.150 nan 0.000 0.490 57 A N 1.213 124.114 122.820 0.134 0.000 2.024 57 A HA 0.233 4.553 4.320 0.000 0.000 0.220 57 A C 1.071 178.780 177.584 0.208 0.000 1.164 57 A CA 1.894 53.995 52.037 0.106 0.000 0.643 57 A CB -1.034 17.943 19.000 -0.039 0.000 0.806 57 A HN 1.957 nan 8.150 nan 0.000 0.451 58 V N -3.181 116.825 119.914 0.153 0.000 2.769 58 V HA 0.818 4.938 4.120 0.000 0.000 0.312 58 V C -0.427 175.738 176.094 0.119 0.000 1.061 58 V CA -0.015 62.366 62.300 0.134 0.000 0.931 58 V CB 1.455 33.336 31.823 0.096 0.000 1.010 58 V HN 0.568 nan 8.190 nan 0.000 0.433 59 T N 1.327 115.938 114.554 0.095 0.000 2.838 59 T HA 0.790 5.140 4.350 0.000 0.000 0.292 59 T C -0.884 173.831 174.700 0.025 0.000 1.113 59 T CA -0.818 61.324 62.100 0.069 0.000 1.008 59 T CB 2.203 71.100 68.868 0.048 0.000 1.259 59 T HN 0.886 nan 8.240 nan 0.000 0.520 60 Q N -0.163 119.632 119.800 -0.008 0.000 2.416 60 Q HA 0.530 4.870 4.340 0.000 0.000 0.281 60 Q C -1.535 174.364 176.000 -0.169 0.000 1.067 60 Q CA -0.838 54.874 55.803 -0.151 0.000 0.809 60 Q CB 3.076 31.633 28.738 -0.302 0.000 1.418 60 Q HN 0.751 nan 8.270 nan 0.000 0.411 61 Q N 1.613 121.244 119.800 -0.280 0.000 2.340 61 Q HA 0.532 4.872 4.340 0.000 0.000 0.268 61 Q C -1.688 174.111 176.000 -0.335 0.000 1.031 61 Q CA -0.515 55.203 55.803 -0.142 0.000 0.804 61 Q CB 1.104 29.818 28.738 -0.039 0.000 1.286 61 Q HN 0.499 nan 8.270 nan 0.000 0.448 62 F N 2.203 122.127 119.950 -0.043 0.000 2.436 62 F HA 0.419 4.946 4.527 0.000 0.000 0.340 62 F C -0.277 175.446 175.800 -0.130 0.000 1.113 62 F CA -0.829 57.119 58.000 -0.087 0.000 1.022 62 F CB 1.728 40.664 39.000 -0.107 0.000 1.128 62 F HN 0.204 nan 8.300 nan 0.000 0.466 63 V N 5.465 125.351 119.914 -0.047 0.000 2.350 63 V HA 0.415 4.535 4.120 0.000 0.000 0.276 63 V C 0.082 176.049 176.094 -0.212 0.000 1.028 63 V CA -0.535 61.600 62.300 -0.274 0.000 0.860 63 V CB 0.897 32.554 31.823 -0.276 0.000 0.990 63 V HN 0.564 nan 8.190 nan 0.000 0.453 64 I N 3.375 123.779 120.570 -0.277 0.000 2.569 64 I HA 0.412 4.582 4.170 0.000 0.000 0.296 64 I C -0.566 175.439 176.117 -0.187 0.000 1.028 64 I CA -0.646 60.540 61.300 -0.191 0.000 1.082 64 I CB 2.306 40.200 38.000 -0.176 0.000 1.264 64 I HN 0.492 nan 8.210 nan 0.000 0.429 65 D N 4.036 124.368 120.400 -0.114 0.000 2.380 65 D HA 0.208 4.848 4.640 0.000 0.000 0.230 65 D C 1.086 177.368 176.300 -0.030 0.000 1.154 65 D CA -0.258 53.699 54.000 -0.072 0.000 0.859 65 D CB 1.653 42.422 40.800 -0.051 0.000 1.045 65 D HN 0.686 nan 8.370 nan 0.000 0.495 66 G N 3.473 112.283 108.800 0.017 0.000 2.448 66 G HA2 -0.272 3.688 3.960 0.000 0.000 0.219 66 G HA3 -0.272 3.688 3.960 0.000 0.000 0.219 66 G C 1.274 176.226 174.900 0.087 0.000 1.127 66 G CA 0.583 45.761 45.100 0.130 0.000 0.766 66 G HN 0.516 nan 8.290 nan 0.000 0.552 67 E N 0.960 121.187 120.200 0.045 0.000 2.047 67 E HA 0.091 4.441 4.350 0.000 0.000 0.191 67 E C 2.544 179.145 176.600 0.003 0.000 0.987 67 E CA 1.474 57.886 56.400 0.020 0.000 0.799 67 E CB -0.414 29.292 29.700 0.011 0.000 0.752 67 E HN 0.261 nan 8.360 nan 0.000 0.449 68 A N -0.725 122.092 122.820 -0.005 0.000 2.147 68 A HA 0.385 4.705 4.320 0.000 0.000 0.211 68 A C 1.531 179.101 177.584 -0.023 0.000 1.160 68 A CA 0.730 52.758 52.037 -0.016 0.000 0.781 68 A CB -0.401 18.587 19.000 -0.019 0.000 0.842 68 A HN 0.485 nan 8.150 nan 0.000 0.475 69 G N -0.337 108.450 108.800 -0.021 0.000 2.324 69 G HA2 -0.235 3.725 3.960 0.000 0.000 0.292 69 G HA3 -0.235 3.725 3.960 0.000 0.000 0.292 69 G C -0.020 174.847 174.900 -0.053 0.000 1.079 69 G CA 0.499 45.576 45.100 -0.037 0.000 1.026 69 G HN 0.824 nan 8.290 nan 0.000 0.506 70 R N -0.339 120.129 120.500 -0.053 0.000 2.628 70 R HA 0.586 4.926 4.340 0.000 0.000 0.288 70 R C -0.170 176.096 176.300 -0.058 0.000 0.980 70 R CA -0.825 55.243 56.100 -0.052 0.000 0.891 70 R CB 1.760 32.035 30.300 -0.040 0.000 1.188 70 R HN 0.134 nan 8.270 nan 0.000 0.450 71 V N 6.825 126.712 119.914 -0.046 0.000 2.470 71 V HA 0.103 4.223 4.120 0.000 0.000 0.276 71 V C 1.318 177.393 176.094 -0.031 0.000 1.040 71 V CA 0.060 62.345 62.300 -0.025 0.000 1.008 71 V CB 0.917 32.758 31.823 0.029 0.000 0.990 71 V HN 0.752 nan 8.190 nan 0.000 0.477 72 I N 1.852 122.390 120.570 -0.054 0.000 4.018 72 I HA 0.700 4.871 4.170 0.000 0.000 0.337 72 I C 0.752 176.836 176.117 -0.056 0.000 1.327 72 I CA 0.190 61.457 61.300 -0.055 0.000 1.100 72 I CB 0.393 38.352 38.000 -0.069 0.000 1.025 72 I HN 0.638 nan 8.210 nan 0.000 0.396 73 G N 1.011 109.774 108.800 -0.061 0.000 2.356 73 G HA2 0.583 4.543 3.960 0.000 0.000 0.294 73 G HA3 0.583 4.543 3.960 0.000 0.000 0.294 73 G C -1.594 173.241 174.900 -0.107 0.000 1.423 73 G CA -0.787 44.267 45.100 -0.076 0.000 0.806 73 G HN 0.037 nan 8.290 nan 0.000 0.527 74 M N -0.334 119.174 119.600 -0.154 0.000 2.622 74 M HA 0.646 5.127 4.480 0.000 0.000 0.276 74 M C -1.318 174.827 176.300 -0.258 0.000 1.265 74 M CA -0.667 54.479 55.300 -0.256 0.000 0.850 74 M CB 3.070 35.475 32.600 -0.325 0.000 1.720 74 M HN 0.400 nan 8.290 nan 0.000 0.465 75 I N 0.657 121.045 120.570 -0.303 0.000 2.607 75 I HA 0.291 4.461 4.170 0.000 0.000 0.290 75 I C -1.391 174.615 176.117 -0.185 0.000 1.129 75 I CA -0.838 60.271 61.300 -0.318 0.000 1.042 75 I CB 2.395 40.089 38.000 -0.509 0.000 1.242 75 I HN 0.522 nan 8.210 nan 0.000 0.421 76 D N 4.491 124.847 120.400 -0.073 0.000 2.256 76 D HA 0.527 5.167 4.640 0.000 0.000 0.250 76 D C 0.079 176.480 176.300 0.169 0.000 1.093 76 D CA 0.213 54.229 54.000 0.026 0.000 0.882 76 D CB 2.302 43.131 40.800 0.049 0.000 1.185 76 D HN 0.729 nan 8.370 nan 0.000 0.437 77 G N 0.001 108.873 108.800 0.119 0.000 2.714 77 G HA2 0.607 4.567 3.960 0.000 0.000 0.292 77 G HA3 0.607 4.567 3.960 0.000 0.000 0.292 77 G C 0.137 175.076 174.900 0.066 0.000 1.308 77 G CA -0.632 44.516 45.100 0.080 0.000 0.964 77 G HN 0.420 nan 8.290 nan 0.000 0.484 78 G N -0.982 107.829 108.800 0.018 0.000 2.975 78 G HA2 0.425 4.385 3.960 0.000 0.000 0.159 78 G HA3 0.425 4.385 3.960 0.000 0.000 0.159 78 G C -0.753 174.255 174.900 0.179 0.000 1.525 78 G CA -0.602 44.573 45.100 0.126 0.000 1.075 78 G HN 0.479 nan 8.290 nan 0.000 0.574 79 F N 1.373 121.359 119.950 0.060 0.000 2.445 79 F HA 0.424 4.951 4.527 0.000 0.000 0.359 79 F C 0.983 176.797 175.800 0.023 0.000 1.101 79 F CA -1.210 56.843 58.000 0.088 0.000 1.177 79 F CB -0.276 38.851 39.000 0.211 0.000 1.110 79 F HN 0.265 nan 8.300 nan 0.000 0.522 80 L N 6.434 127.459 121.223 -0.329 0.000 3.965 80 L HA -0.209 4.131 4.340 0.000 0.000 0.476 80 L C -2.143 174.576 176.870 -0.251 0.000 1.201 80 L CA -0.432 54.186 54.840 -0.370 0.000 0.710 80 L CB -1.572 40.091 42.059 -0.660 0.000 1.509 80 L HN 0.438 nan 8.230 nan 0.000 0.815 81 P HA 0.083 nan 4.420 nan 0.000 0.274 81 P C -0.480 176.741 177.300 -0.131 0.000 1.237 81 P CA -0.224 62.747 63.100 -0.215 0.000 0.793 81 P CB 0.809 32.320 31.700 -0.314 0.000 0.977 82 N N 2.231 120.863 118.700 -0.114 0.000 2.444 82 N HA 0.299 5.039 4.740 0.000 0.000 0.262 82 N C -2.349 173.161 175.510 -0.001 0.000 0.974 82 N CA -1.271 51.750 53.050 -0.049 0.000 0.933 82 N CB 1.599 40.063 38.487 -0.038 0.000 1.137 82 N HN 0.353 nan 8.380 nan 0.000 0.498 83 P HA 0.285 nan 4.420 nan 0.000 0.290 83 P C -0.753 176.502 177.300 -0.075 0.000 1.275 83 P CA -0.491 62.613 63.100 0.006 0.000 0.841 83 P CB 1.748 33.444 31.700 -0.006 0.000 1.042 84 V N 0.049 119.916 119.914 -0.077 0.000 3.007 84 V HA 0.735 4.855 4.120 0.000 0.000 0.311 84 V C -0.879 175.095 176.094 -0.199 0.000 1.120 84 V CA -1.033 61.191 62.300 -0.128 0.000 0.980 84 V CB 2.061 33.862 31.823 -0.037 0.000 1.033 84 V HN 0.264 nan 8.190 nan 0.000 0.429 85 V N 2.247 122.003 119.914 -0.263 0.000 2.569 85 V HA 0.805 4.925 4.120 0.000 0.000 0.301 85 V C 0.616 176.508 176.094 -0.338 0.000 1.044 85 V CA -0.200 61.880 62.300 -0.365 0.000 0.874 85 V CB 1.567 33.124 31.823 -0.443 0.000 1.002 85 V HN 1.476 nan 8.190 nan 0.000 0.424 86 A N 2.461 124.943 122.820 -0.564 0.000 2.488 86 A HA 0.251 4.571 4.320 0.000 0.000 0.249 86 A C 1.079 178.514 177.584 -0.247 0.000 1.083 86 A CA -0.086 51.634 52.037 -0.529 0.000 0.768 86 A CB 0.010 18.413 19.000 -0.996 0.000 1.017 86 A HN 0.884 nan 8.150 nan 0.000 0.496 87 D N 1.240 121.567 120.400 -0.122 0.000 2.178 87 D HA -0.154 4.486 4.640 0.000 0.000 0.201 87 D C 1.110 177.388 176.300 -0.036 0.000 0.980 87 D CA 1.805 55.776 54.000 -0.048 0.000 0.842 87 D CB 0.014 40.810 40.800 -0.006 0.000 0.948 87 D HN 0.811 nan 8.370 nan 0.000 0.472 88 D N -0.708 119.665 120.400 -0.045 0.000 2.349 88 D HA 0.045 4.685 4.640 0.000 0.000 0.224 88 D C 1.443 177.736 176.300 -0.012 0.000 1.029 88 D CA 0.792 54.785 54.000 -0.012 0.000 0.879 88 D CB -0.371 40.436 40.800 0.012 0.000 0.906 88 D HN 0.171 nan 8.370 nan 0.000 0.528 89 G N 0.521 109.293 108.800 -0.047 0.000 2.168 89 G HA2 -0.372 3.588 3.960 0.000 0.000 0.257 89 G HA3 -0.372 3.588 3.960 0.000 0.000 0.257 89 G C 1.096 175.999 174.900 0.006 0.000 0.997 89 G CA 0.999 46.089 45.100 -0.018 0.000 0.708 89 G HN 0.644 nan 8.290 nan 0.000 0.520 90 S N -0.956 114.742 115.700 -0.004 0.000 2.461 90 S HA 0.513 4.983 4.470 0.000 0.000 0.228 90 S C 0.667 175.416 174.600 0.248 0.000 1.005 90 S CA 1.143 59.417 58.200 0.124 0.000 0.942 90 S CB -0.189 63.133 63.200 0.203 0.000 0.776 90 S HN 1.907 nan 8.310 nan 0.000 0.514 91 F N -0.259 119.720 119.950 0.047 0.000 2.858 91 F HA 0.740 5.267 4.527 0.000 0.000 0.319 91 F C -1.630 174.187 175.800 0.027 0.000 1.166 91 F CA -2.001 56.029 58.000 0.049 0.000 0.899 91 F CB 0.876 39.899 39.000 0.039 0.000 1.332 91 F HN 0.098 nan 8.300 nan 0.000 0.461 92 I N -0.056 120.691 120.570 0.295 0.000 2.865 92 I HA 1.047 5.217 4.170 0.000 0.000 0.302 92 I C -1.089 175.231 176.117 0.338 0.000 1.140 92 I CA -1.130 60.234 61.300 0.106 0.000 1.021 92 I CB 1.882 39.851 38.000 -0.050 0.000 1.233 92 I HN 1.241 nan 8.210 nan 0.000 0.427 93 A N 2.690 125.636 122.820 0.210 0.000 2.581 93 A HA 0.877 5.197 4.320 0.000 0.000 0.290 93 A C -1.551 176.124 177.584 0.151 0.000 1.119 93 A CA -0.507 51.652 52.037 0.203 0.000 0.670 93 A CB 1.647 20.785 19.000 0.231 0.000 1.280 93 A HN 1.167 nan 8.150 nan 0.000 0.425 94 H N -1.535 117.607 119.070 0.120 0.000 3.064 94 H HA 0.781 5.337 4.556 0.000 0.000 0.352 94 H C -0.744 174.522 175.328 -0.104 0.000 1.260 94 H CA -0.656 55.400 56.048 0.014 0.000 1.160 94 H CB 1.743 31.524 29.762 0.031 0.000 1.879 94 H HN 1.169 nan 8.280 nan 0.000 0.544 95 A N 2.094 124.888 122.820 -0.043 0.000 2.260 95 A HA 0.538 4.858 4.320 0.000 0.000 0.314 95 A C -0.267 177.045 177.584 -0.454 0.000 1.257 95 A CA -0.220 51.657 52.037 -0.268 0.000 0.871 95 A CB 1.259 20.112 19.000 -0.246 0.000 1.166 95 A HN 0.666 nan 8.150 nan 0.000 0.522 96 S N 0.948 116.189 115.700 -0.765 0.000 2.704 96 S HA 0.878 5.349 4.470 0.000 0.000 0.296 96 S C -0.579 173.667 174.600 -0.591 0.000 1.138 96 S CA -0.330 57.405 58.200 -0.775 0.000 0.875 96 S CB 1.799 64.382 63.200 -1.028 0.000 1.151 96 S HN 0.777 nan 8.310 nan 0.000 0.500 97 T N 1.525 115.953 114.554 -0.210 0.000 2.991 97 T HA 0.617 4.967 4.350 0.000 0.000 0.303 97 T C -0.832 173.895 174.700 0.044 0.000 1.015 97 T CA -0.511 61.557 62.100 -0.053 0.000 1.007 97 T CB 1.154 70.016 68.868 -0.010 0.000 1.034 97 T HN 0.935 nan 8.240 nan 0.000 0.446 98 V N 0.319 120.189 119.914 -0.073 0.000 3.126 98 V HA 0.947 5.067 4.120 0.000 0.000 0.314 98 V C -1.513 174.296 176.094 -0.476 0.000 1.138 98 V CA -1.183 61.067 62.300 -0.082 0.000 1.034 98 V CB 1.833 33.673 31.823 0.027 0.000 1.075 98 V HN 0.740 nan 8.190 nan 0.000 0.442 99 F N -0.039 119.919 119.950 0.014 0.000 2.588 99 F HA 0.590 5.118 4.527 0.000 0.000 0.314 99 F C 1.496 177.283 175.800 -0.022 0.000 1.069 99 F CA -0.071 57.920 58.000 -0.014 0.000 0.931 99 F CB 2.523 41.498 39.000 -0.041 0.000 1.260 99 F HN 0.682 nan 8.300 nan 0.000 0.465 100 S N 0.438 116.223 115.700 0.142 0.000 2.423 100 S HA 0.003 4.473 4.470 0.000 0.000 0.231 100 S C 0.906 175.544 174.600 0.063 0.000 1.014 100 S CA 0.842 59.082 58.200 0.067 0.000 0.965 100 S CB -0.107 63.117 63.200 0.041 0.000 0.785 100 S HN 0.504 nan 8.310 nan 0.000 0.495 101 R N 0.508 121.057 120.500 0.082 0.000 2.835 101 R HA 0.510 4.850 4.340 0.000 0.000 0.290 101 R C -0.058 176.252 176.300 0.017 0.000 1.410 101 R CA -0.123 55.998 56.100 0.035 0.000 1.590 101 R CB -0.624 29.681 30.300 0.010 0.000 1.288 101 R HN 0.375 nan 8.270 nan 0.000 0.637 102 I N -0.215 120.383 120.570 0.047 0.000 4.773 102 I HA -0.488 3.682 4.170 0.000 0.000 0.042 102 I C 1.111 177.208 176.117 -0.034 0.000 0.630 102 I CA 2.537 63.850 61.300 0.021 0.000 0.606 102 I CB -1.096 36.888 38.000 -0.026 0.000 0.584 102 I HN 0.443 nan 8.210 nan 0.000 0.154 103 A N 0.950 123.646 122.820 -0.207 0.000 2.585 103 A HA 0.578 4.898 4.320 0.000 0.000 0.266 103 A C 0.570 177.709 177.584 -0.741 0.000 1.178 103 A CA 0.363 52.058 52.037 -0.571 0.000 0.966 103 A CB 0.064 18.794 19.000 -0.451 0.000 1.170 103 A HN 0.561 nan 8.150 nan 0.000 0.558 104 R N -2.668 117.614 120.500 -0.364 0.000 2.846 104 R HA 0.779 5.119 4.340 0.000 0.000 0.263 104 R C 0.465 176.779 176.300 0.024 0.000 1.080 104 R CA -0.295 55.678 56.100 -0.212 0.000 0.961 104 R CB 0.162 30.373 30.300 -0.148 0.000 1.231 104 R HN 1.258 nan 8.270 nan 0.000 0.465 105 G N 0.562 109.397 108.800 0.057 0.000 2.587 105 G HA2 -0.203 3.757 3.960 0.000 0.000 0.212 105 G HA3 -0.203 3.757 3.960 0.000 0.000 0.212 105 G C -1.102 173.891 174.900 0.154 0.000 1.327 105 G CA -0.153 45.000 45.100 0.089 0.000 0.898 105 G HN 0.972 nan 8.290 nan 0.000 0.551 106 E N 0.144 120.405 120.200 0.102 0.000 2.360 106 E HA 0.479 4.829 4.350 0.000 0.000 0.269 106 E C 0.530 177.154 176.600 0.040 0.000 1.022 106 E CA -0.477 55.965 56.400 0.071 0.000 0.887 106 E CB 1.210 30.918 29.700 0.014 0.000 0.990 106 E HN 0.698 nan 8.360 nan 0.000 0.426 107 R N 2.017 122.498 120.500 -0.032 0.000 2.349 107 R HA 0.240 4.580 4.340 0.000 0.000 0.299 107 R C -1.050 175.098 176.300 -0.253 0.000 1.027 107 R CA -0.254 55.648 56.100 -0.330 0.000 0.958 107 R CB 1.287 31.440 30.300 -0.245 0.000 1.047 107 R HN 0.595 nan 8.270 nan 0.000 0.468 108 T N 3.663 118.030 114.554 -0.312 0.000 2.840 108 T HA 0.228 4.578 4.350 0.000 0.000 0.287 108 T C -1.430 173.238 174.700 -0.054 0.000 0.991 108 T CA -0.752 61.258 62.100 -0.149 0.000 0.964 108 T CB 1.334 70.124 68.868 -0.131 0.000 0.954 108 T HN 0.510 nan 8.240 nan 0.000 0.438 109 D N 2.774 123.145 120.400 -0.049 0.000 2.168 109 D HA 0.581 5.221 4.640 0.000 0.000 0.246 109 D C -0.597 175.716 176.300 0.020 0.000 1.050 109 D CA 0.024 53.979 54.000 -0.075 0.000 0.857 109 D CB 1.138 41.824 40.800 -0.191 0.000 1.169 109 D HN 0.580 nan 8.370 nan 0.000 0.453 110 Y N -1.327 118.860 120.300 -0.188 0.000 2.638 110 Y HA 0.652 5.202 4.550 0.000 0.000 0.335 110 Y C -1.630 174.208 175.900 -0.104 0.000 1.155 110 Y CA -1.335 56.682 58.100 -0.139 0.000 1.046 110 Y CB 0.534 38.936 38.460 -0.096 0.000 1.303 110 Y HN 0.067 nan 8.280 nan 0.000 0.460 111 V N 1.854 121.739 119.914 -0.049 0.000 2.459 111 V HA 0.511 4.631 4.120 0.000 0.000 0.295 111 V C -0.735 175.398 176.094 0.065 0.000 1.029 111 V CA -0.658 61.611 62.300 -0.052 0.000 0.874 111 V CB 1.474 33.290 31.823 -0.012 0.000 0.985 111 V HN 0.832 nan 8.190 nan 0.000 0.438 112 E N 2.976 123.219 120.200 0.072 0.000 2.234 112 E HA 0.661 5.011 4.350 0.000 0.000 0.266 112 E C -1.702 174.684 176.600 -0.356 0.000 0.877 112 E CA -0.480 55.851 56.400 -0.116 0.000 0.758 112 E CB 2.225 31.924 29.700 -0.001 0.000 1.170 112 E HN 0.475 nan 8.360 nan 0.000 0.415 113 V N 4.799 124.444 119.914 -0.449 0.000 2.483 113 V HA 0.512 4.632 4.120 0.000 0.000 0.295 113 V C -0.726 175.072 176.094 -0.492 0.000 1.035 113 V CA -0.527 61.583 62.300 -0.317 0.000 0.896 113 V CB 0.947 32.622 31.823 -0.247 0.000 0.986 113 V HN 0.549 nan 8.190 nan 0.000 0.447 114 F N 1.397 121.355 119.950 0.013 0.000 2.546 114 F HA 0.420 4.947 4.527 0.000 0.000 0.320 114 F C 0.270 176.113 175.800 0.072 0.000 1.076 114 F CA -0.823 57.188 58.000 0.017 0.000 0.928 114 F CB 1.425 40.415 39.000 -0.016 0.000 1.189 114 F HN 0.452 nan 8.300 nan 0.000 0.465 115 D N 3.126 123.674 120.400 0.247 0.000 2.351 115 D HA 0.147 4.787 4.640 0.000 0.000 0.251 115 D C -1.972 174.436 176.300 0.180 0.000 1.137 115 D CA -1.634 52.473 54.000 0.178 0.000 0.879 115 D CB 1.929 42.801 40.800 0.119 0.000 1.181 115 D HN 0.186 nan 8.370 nan 0.000 0.448 116 P HA -0.062 nan 4.420 nan 0.000 0.230 116 P C 1.073 178.428 177.300 0.092 0.000 1.158 116 P CA 0.374 63.557 63.100 0.138 0.000 0.769 116 P CB 0.520 32.299 31.700 0.132 0.000 0.807 117 V N -1.114 118.847 119.914 0.079 0.000 2.806 117 V HA -0.064 4.056 4.120 0.000 0.000 0.239 117 V C 2.385 178.505 176.094 0.043 0.000 1.113 117 V CA 2.056 64.386 62.300 0.051 0.000 1.137 117 V CB -1.288 30.562 31.823 0.045 0.000 0.865 117 V HN 0.176 nan 8.190 nan 0.000 0.482 118 T N -2.683 111.905 114.554 0.056 0.000 3.054 118 T HA 0.031 4.381 4.350 0.000 0.000 0.259 118 T C 1.152 175.888 174.700 0.060 0.000 1.092 118 T CA 0.410 62.540 62.100 0.051 0.000 1.121 118 T CB 0.134 69.034 68.868 0.054 0.000 0.912 118 T HN 0.124 nan 8.240 nan 0.000 0.489 119 L N -0.511 120.762 121.223 0.085 0.000 4.696 119 L HA -0.086 4.255 4.340 0.000 0.000 0.425 119 L C -0.147 176.839 176.870 0.193 0.000 1.115 119 L CA 0.210 55.105 54.840 0.091 0.000 0.996 119 L CB -1.891 40.166 42.059 -0.003 0.000 2.077 119 L HN 0.382 nan 8.230 nan 0.000 0.792 120 L N 0.420 121.753 121.223 0.184 0.000 2.395 120 L HA 0.421 4.761 4.340 0.000 0.000 0.269 120 L C -1.592 175.400 176.870 0.204 0.000 1.133 120 L CA -1.437 53.513 54.840 0.183 0.000 0.812 120 L CB 0.285 42.399 42.059 0.091 0.000 1.125 120 L HN -0.140 nan 8.230 nan 0.000 0.452 121 P HA 0.148 nan 4.420 nan 0.000 0.271 121 P C 0.381 177.602 177.300 -0.131 0.000 1.220 121 P CA 0.012 62.994 63.100 -0.196 0.000 0.768 121 P CB 0.570 32.149 31.700 -0.202 0.000 0.848 122 T N -0.269 114.179 114.554 -0.176 0.000 3.010 122 T HA 0.587 4.937 4.350 0.000 0.000 0.257 122 T C 0.344 174.966 174.700 -0.129 0.000 1.020 122 T CA -0.162 61.873 62.100 -0.108 0.000 0.938 122 T CB 0.194 69.017 68.868 -0.075 0.000 1.049 122 T HN 0.452 nan 8.240 nan 0.000 0.522 123 A N 0.676 123.388 122.820 -0.180 0.000 2.577 123 A HA 0.609 4.930 4.320 0.000 0.000 0.297 123 A C -2.125 175.374 177.584 -0.141 0.000 1.060 123 A CA -0.682 51.271 52.037 -0.141 0.000 0.697 123 A CB 1.505 20.422 19.000 -0.139 0.000 1.281 123 A HN 0.130 nan 8.150 nan 0.000 0.402 124 D N 2.438 122.792 120.400 -0.075 0.000 2.402 124 D HA 0.465 5.105 4.640 0.000 0.000 0.252 124 D C -1.280 175.025 176.300 0.009 0.000 1.294 124 D CA 0.026 54.012 54.000 -0.024 0.000 0.948 124 D CB 0.793 41.559 40.800 -0.056 0.000 1.202 124 D HN 0.460 nan 8.370 nan 0.000 0.561 125 I N 2.758 123.358 120.570 0.050 0.000 2.328 125 I HA 0.229 4.399 4.170 0.000 0.000 0.287 125 I C 0.612 176.777 176.117 0.081 0.000 1.012 125 I CA -0.780 60.555 61.300 0.058 0.000 1.195 125 I CB 1.678 39.715 38.000 0.060 0.000 1.350 125 I HN 0.237 nan 8.210 nan 0.000 0.464 126 E N 7.095 127.326 120.200 0.051 0.000 2.354 126 E HA 0.342 4.692 4.350 0.000 0.000 0.269 126 E C -1.192 175.383 176.600 -0.042 0.000 1.036 126 E CA -0.497 55.916 56.400 0.021 0.000 0.876 126 E CB 0.916 30.607 29.700 -0.014 0.000 1.009 126 E HN 0.528 nan 8.360 nan 0.000 0.416 127 L N 6.628 127.775 121.223 -0.128 0.000 2.262 127 L HA 0.391 4.731 4.340 0.000 0.000 0.288 127 L C -2.127 174.535 176.870 -0.346 0.000 1.035 127 L CA -2.404 52.247 54.840 -0.316 0.000 0.820 127 L CB 1.208 43.054 42.059 -0.355 0.000 1.204 127 L HN 0.479 nan 8.230 nan 0.000 0.424 128 P HA -0.026 nan 4.420 nan 0.000 0.264 128 P C -0.457 176.706 177.300 -0.230 0.000 1.183 128 P CA 0.170 63.082 63.100 -0.314 0.000 0.763 128 P CB 0.290 31.789 31.700 -0.336 0.000 0.807 129 D N 1.662 121.985 120.400 -0.128 0.000 2.708 129 D HA -0.233 4.407 4.640 0.000 0.000 0.236 129 D C 0.019 176.281 176.300 -0.062 0.000 1.146 129 D CA 1.383 55.337 54.000 -0.076 0.000 0.662 129 D CB -1.726 39.042 40.800 -0.053 0.000 1.059 129 D HN 0.705 nan 8.370 nan 0.000 0.428 130 A N -0.537 122.234 122.820 -0.082 0.000 2.103 130 A HA -0.169 4.151 4.320 0.000 0.000 0.269 130 A C -0.546 177.028 177.584 -0.016 0.000 1.346 130 A CA 0.898 52.897 52.037 -0.064 0.000 0.755 130 A CB -0.623 18.357 19.000 -0.035 0.000 1.146 130 A HN 0.362 nan 8.150 nan 0.000 0.330 131 P HA -0.007 nan 4.420 nan 0.000 0.251 131 P C 0.463 177.875 177.300 0.187 0.000 1.223 131 P CA 0.161 63.325 63.100 0.107 0.000 0.796 131 P CB 0.181 32.003 31.700 0.205 0.000 1.068 132 R N 0.305 120.840 120.500 0.058 0.000 2.640 132 R HA 0.099 4.440 4.340 0.000 0.000 0.270 132 R C 0.068 176.512 176.300 0.240 0.000 1.024 132 R CA -0.206 55.949 56.100 0.091 0.000 1.085 132 R CB -0.037 30.211 30.300 -0.087 0.000 0.963 132 R HN 0.056 nan 8.270 nan 0.000 0.426 133 F N 4.524 124.543 119.950 0.114 0.000 2.413 133 F HA 0.220 4.747 4.527 0.000 0.000 0.359 133 F C -0.515 175.300 175.800 0.025 0.000 1.122 133 F CA -1.205 56.870 58.000 0.126 0.000 1.160 133 F CB 0.245 39.391 39.000 0.244 0.000 1.146 133 F HN 0.281 nan 8.300 nan 0.000 0.514 134 L N 8.067 129.274 121.223 -0.027 0.000 2.283 134 L HA 0.555 4.895 4.340 0.000 0.000 0.287 134 L C -0.250 176.272 176.870 -0.580 0.000 1.073 134 L CA -0.559 54.116 54.840 -0.276 0.000 0.822 134 L CB 0.808 42.835 42.059 -0.054 0.000 1.186 134 L HN 0.515 nan 8.230 nan 0.000 0.436 135 V N 2.322 121.810 119.914 -0.710 0.000 3.216 135 V HA 0.674 4.794 4.120 0.000 0.000 0.302 135 V C 0.194 176.024 176.094 -0.441 0.000 1.286 135 V CA -0.463 61.398 62.300 -0.733 0.000 1.048 135 V CB 2.317 33.341 31.823 -1.331 0.000 1.081 135 V HN 0.695 nan 8.190 nan 0.000 0.442 136 G N 1.805 110.507 108.800 -0.163 0.000 2.321 136 G HA2 0.271 4.231 3.960 0.000 0.000 0.237 136 G HA3 0.271 4.231 3.960 0.000 0.000 0.237 136 G C 0.163 175.087 174.900 0.041 0.000 1.282 136 G CA 0.589 45.818 45.100 0.215 0.000 0.886 136 G HN 1.049 nan 8.290 nan 0.000 0.528 137 T N 2.961 117.690 114.554 0.293 0.000 2.758 137 T HA 0.097 4.447 4.350 0.000 0.000 0.281 137 T C -0.671 174.341 174.700 0.520 0.000 0.963 137 T CA 0.732 62.995 62.100 0.271 0.000 1.201 137 T CB -0.223 68.797 68.868 0.254 0.000 0.906 137 T HN 0.297 nan 8.240 nan 0.000 0.528 138 Y N 4.022 124.371 120.300 0.082 0.000 2.334 138 Y HA 0.334 4.884 4.550 0.000 0.000 0.336 138 Y C -1.748 174.124 175.900 -0.046 0.000 0.960 138 Y CA -3.612 54.427 58.100 -0.102 0.000 1.164 138 Y CB 1.017 39.362 38.460 -0.191 0.000 1.155 138 Y HN 0.432 nan 8.280 nan 0.000 0.478 139 P HA -0.192 nan 4.420 nan 0.000 0.216 139 P C 0.344 177.378 177.300 -0.443 0.000 1.154 139 P CA 2.023 64.990 63.100 -0.222 0.000 0.865 139 P CB 0.098 31.613 31.700 -0.310 0.000 0.789 140 W N -2.197 119.193 121.300 0.150 0.000 3.364 140 W HA 0.229 4.889 4.660 0.000 0.000 0.397 140 W C 1.327 177.834 176.519 -0.020 0.000 1.107 140 W CA -0.167 57.215 57.345 0.060 0.000 1.892 140 W CB -0.436 29.026 29.460 0.003 0.000 1.027 140 W HN -0.098 nan 8.180 nan 0.000 0.761 141 M N -0.322 119.350 119.600 0.121 0.000 2.428 141 M HA 0.193 4.673 4.480 0.000 0.000 0.239 141 M C -0.096 176.293 176.300 0.149 0.000 1.121 141 M CA 0.888 56.258 55.300 0.117 0.000 1.019 141 M CB -0.288 32.405 32.600 0.155 0.000 1.485 141 M HN -0.329 nan 8.290 nan 0.000 0.484 142 T N 0.158 114.763 114.554 0.086 0.000 3.293 142 T HA 0.469 4.819 4.350 0.000 0.000 0.320 142 T C -0.700 174.025 174.700 0.041 0.000 0.995 142 T CA -0.467 61.693 62.100 0.099 0.000 1.041 142 T CB 1.940 70.859 68.868 0.086 0.000 1.058 142 T HN 0.001 nan 8.240 nan 0.000 0.453 143 S N 2.398 118.156 115.700 0.096 0.000 2.588 143 S HA 0.724 5.194 4.470 0.000 0.000 0.275 143 S C -0.898 173.812 174.600 0.184 0.000 1.130 143 S CA -0.955 57.340 58.200 0.157 0.000 0.855 143 S CB 1.364 64.785 63.200 0.367 0.000 1.116 143 S HN 0.531 nan 8.310 nan 0.000 0.472 144 L N 2.101 123.459 121.223 0.225 0.000 2.334 144 L HA 0.519 4.859 4.340 0.000 0.000 0.275 144 L C 0.764 177.798 176.870 0.274 0.000 1.036 144 L CA -0.754 54.225 54.840 0.232 0.000 0.807 144 L CB 1.524 43.702 42.059 0.199 0.000 1.231 144 L HN 0.821 nan 8.230 nan 0.000 0.438 145 T N -1.468 113.239 114.554 0.255 0.000 2.868 145 T HA 0.166 4.516 4.350 0.000 0.000 0.292 145 T C -1.627 173.208 174.700 0.225 0.000 1.028 145 T CA -1.507 60.750 62.100 0.261 0.000 1.059 145 T CB 0.858 69.873 68.868 0.245 0.000 0.991 145 T HN 0.469 nan 8.240 nan 0.000 0.531 146 P HA -0.145 nan 4.420 nan 0.000 0.219 146 P C 0.797 178.177 177.300 0.132 0.000 1.146 146 P CA 1.330 64.525 63.100 0.159 0.000 0.808 146 P CB -0.061 31.724 31.700 0.142 0.000 0.779 147 D N -1.286 119.196 120.400 0.137 0.000 2.355 147 D HA 0.050 4.690 4.640 0.000 0.000 0.218 147 D C 1.539 177.934 176.300 0.159 0.000 1.004 147 D CA 0.766 54.840 54.000 0.124 0.000 0.880 147 D CB -1.185 39.678 40.800 0.104 0.000 0.911 147 D HN 0.251 nan 8.370 nan 0.000 0.528 148 G N 0.631 109.550 108.800 0.198 0.000 2.155 148 G HA2 -0.391 3.569 3.960 0.000 0.000 0.257 148 G HA3 -0.391 3.569 3.960 0.000 0.000 0.257 148 G C 0.945 176.028 174.900 0.305 0.000 0.983 148 G CA 0.634 45.915 45.100 0.303 0.000 0.676 148 G HN 0.488 nan 8.290 nan 0.000 0.528 149 K N -0.473 120.041 120.400 0.190 0.000 2.361 149 K HA 0.187 4.507 4.320 0.000 0.000 0.194 149 K C 0.449 177.117 176.600 0.113 0.000 1.032 149 K CA 0.858 57.215 56.287 0.117 0.000 1.048 149 K CB 0.578 33.130 32.500 0.088 0.000 0.842 149 K HN 0.337 nan 8.250 nan 0.000 0.526 150 T N 1.068 115.719 114.554 0.162 0.000 2.893 150 T HA 0.412 4.763 4.350 0.000 0.000 0.293 150 T C -1.387 173.421 174.700 0.180 0.000 1.027 150 T CA -0.667 61.532 62.100 0.164 0.000 0.988 150 T CB 2.083 71.077 68.868 0.211 0.000 1.043 150 T HN 0.012 nan 8.240 nan 0.000 0.461 151 L N 3.798 125.115 121.223 0.158 0.000 2.341 151 L HA 0.727 5.067 4.340 0.000 0.000 0.278 151 L C -1.635 175.319 176.870 0.140 0.000 1.005 151 L CA -0.904 54.037 54.840 0.168 0.000 0.818 151 L CB 0.821 42.987 42.059 0.179 0.000 1.259 151 L HN 0.573 nan 8.230 nan 0.000 0.418 152 L N 5.592 126.866 121.223 0.084 0.000 2.341 152 L HA 0.588 4.928 4.340 0.000 0.000 0.278 152 L C -0.887 176.009 176.870 0.043 0.000 1.005 152 L CA -0.641 54.157 54.840 -0.071 0.000 0.818 152 L CB 1.626 43.507 42.059 -0.297 0.000 1.259 152 L HN 0.566 nan 8.230 nan 0.000 0.418 153 F N 1.021 120.945 119.950 -0.043 0.000 2.588 153 F HA 0.588 5.115 4.527 0.000 0.000 0.314 153 F C -1.094 174.745 175.800 0.066 0.000 1.069 153 F CA -1.253 56.762 58.000 0.025 0.000 0.931 153 F CB 1.034 40.058 39.000 0.040 0.000 1.260 153 F HN 0.271 nan 8.300 nan 0.000 0.465 154 Y N 2.450 122.830 120.300 0.133 0.000 2.310 154 Y HA 0.418 4.968 4.550 0.000 0.000 0.326 154 Y C -0.486 175.530 175.900 0.194 0.000 1.151 154 Y CA -0.472 57.662 58.100 0.057 0.000 1.195 154 Y CB 1.286 39.812 38.460 0.111 0.000 1.210 154 Y HN 0.857 nan 8.280 nan 0.000 0.483 155 Q N 5.556 124.934 119.800 -0.703 0.000 2.340 155 Q HA 0.237 4.577 4.340 0.000 0.000 0.268 155 Q C -1.051 174.368 176.000 -0.968 0.000 1.031 155 Q CA -0.570 54.954 55.803 -0.465 0.000 0.804 155 Q CB 1.199 29.787 28.738 -0.250 0.000 1.286 155 Q HN 0.869 nan 8.270 nan 0.000 0.448 156 F N 2.259 121.765 119.950 -0.741 0.000 2.343 156 F HA 0.334 4.861 4.527 0.000 0.000 0.286 156 F C 0.385 176.009 175.800 -0.293 0.000 1.057 156 F CA 0.348 57.954 58.000 -0.656 0.000 1.365 156 F CB 0.770 39.158 39.000 -1.020 0.000 1.114 156 F HN 0.467 nan 8.300 nan 0.000 0.545 157 S N 0.833 116.425 115.700 -0.179 0.000 2.532 157 S HA 0.427 4.897 4.470 0.000 0.000 0.301 157 S C -1.767 172.776 174.600 -0.096 0.000 1.083 157 S CA -1.478 56.612 58.200 -0.184 0.000 1.025 157 S CB 1.383 64.599 63.200 0.027 0.000 1.056 157 S HN 0.114 nan 8.310 nan 0.000 0.494 158 P HA 0.265 nan 4.420 nan 0.000 0.241 158 P C -0.134 177.051 177.300 -0.191 0.000 1.191 158 P CA 0.264 63.289 63.100 -0.125 0.000 0.771 158 P CB 0.132 31.790 31.700 -0.070 0.000 0.929 159 A N 0.359 123.045 122.820 -0.223 0.000 2.604 159 A HA 0.610 4.930 4.320 0.000 0.000 0.295 159 A C -3.052 174.359 177.584 -0.289 0.000 1.067 159 A CA -1.658 50.237 52.037 -0.236 0.000 0.683 159 A CB 0.904 19.814 19.000 -0.150 0.000 1.281 159 A HN -0.204 nan 8.150 nan 0.000 0.407 160 P HA 0.404 nan 4.420 nan 0.000 0.263 160 P C -0.350 176.792 177.300 -0.263 0.000 1.195 160 P CA 0.620 63.535 63.100 -0.310 0.000 0.762 160 P CB 1.009 32.604 31.700 -0.176 0.000 0.799 161 A N 3.278 125.872 122.820 -0.378 0.000 2.604 161 A HA 0.592 4.912 4.320 0.000 0.000 0.295 161 A C -1.397 175.998 177.584 -0.315 0.000 1.067 161 A CA -0.582 51.299 52.037 -0.260 0.000 0.683 161 A CB 1.567 20.439 19.000 -0.213 0.000 1.281 161 A HN 0.266 nan 8.150 nan 0.000 0.407 162 V N 1.203 120.967 119.914 -0.251 0.000 2.444 162 V HA 0.657 4.777 4.120 0.000 0.000 0.294 162 V C 0.817 176.603 176.094 -0.514 0.000 1.022 162 V CA -0.035 62.044 62.300 -0.368 0.000 0.850 162 V CB 1.638 33.288 31.823 -0.289 0.000 0.992 162 V HN 1.333 nan 8.190 nan 0.000 0.426 163 G N 3.376 111.609 108.800 -0.945 0.000 2.395 163 G HA2 0.534 4.494 3.960 0.000 0.000 0.283 163 G HA3 0.534 4.494 3.960 0.000 0.000 0.283 163 G C -0.758 173.833 174.900 -0.515 0.000 1.178 163 G CA -0.309 44.277 45.100 -0.856 0.000 0.837 163 G HN 0.562 nan 8.290 nan 0.000 0.518 164 V N 2.318 122.054 119.914 -0.296 0.000 2.357 164 V HA 0.369 4.489 4.120 0.000 0.000 0.284 164 V C -0.202 175.829 176.094 -0.106 0.000 1.018 164 V CA -0.639 61.532 62.300 -0.215 0.000 0.841 164 V CB 1.412 33.087 31.823 -0.247 0.000 0.991 164 V HN 0.496 nan 8.190 nan 0.000 0.437 165 V N 3.596 123.556 119.914 0.077 0.000 2.409 165 V HA 0.366 4.486 4.120 0.000 0.000 0.291 165 V C -0.312 175.831 176.094 0.083 0.000 1.020 165 V CA -0.570 61.810 62.300 0.134 0.000 0.848 165 V CB 1.952 33.922 31.823 0.246 0.000 0.990 165 V HN 0.906 nan 8.190 nan 0.000 0.430 166 D N 4.408 124.837 120.400 0.047 0.000 2.393 166 D HA 0.247 4.888 4.640 0.000 0.000 0.232 166 D C 0.932 177.242 176.300 0.016 0.000 1.192 166 D CA -0.037 53.985 54.000 0.036 0.000 0.882 166 D CB 1.052 41.863 40.800 0.018 0.000 1.038 166 D HN 0.446 nan 8.370 nan 0.000 0.499 167 L N 2.671 123.894 121.223 -0.000 0.000 2.217 167 L HA -0.034 4.306 4.340 0.000 0.000 0.211 167 L C 2.189 179.001 176.870 -0.098 0.000 1.107 167 L CA 0.660 55.453 54.840 -0.078 0.000 0.783 167 L CB -0.145 41.820 42.059 -0.155 0.000 0.919 167 L HN 0.491 nan 8.230 nan 0.000 0.442 168 E N 0.616 120.785 120.200 -0.052 0.000 2.047 168 E HA -0.156 4.194 4.350 0.000 0.000 0.191 168 E C 2.080 178.660 176.600 -0.033 0.000 0.987 168 E CA 1.141 57.514 56.400 -0.043 0.000 0.799 168 E CB -0.104 29.589 29.700 -0.011 0.000 0.752 168 E HN 0.397 nan 8.360 nan 0.000 0.449 169 G N 0.093 108.884 108.800 -0.016 0.000 2.920 169 G HA2 -0.107 3.854 3.960 0.000 0.000 0.208 169 G HA3 -0.107 3.854 3.960 0.000 0.000 0.208 169 G C -0.085 174.809 174.900 -0.009 0.000 1.159 169 G CA 0.150 45.245 45.100 -0.009 0.000 0.784 169 G HN 0.222 nan 8.290 nan 0.000 0.535 170 K N -1.007 119.382 120.400 -0.018 0.000 3.257 170 K HA -0.085 4.236 4.320 0.000 0.000 0.270 170 K C -0.097 176.514 176.600 0.019 0.000 0.984 170 K CA 0.257 56.535 56.287 -0.015 0.000 0.739 170 K CB -1.789 30.692 32.500 -0.031 0.000 1.351 170 K HN 0.674 nan 8.250 nan 0.000 0.463 171 A N 0.679 123.525 122.820 0.042 0.000 2.574 171 A HA 0.637 4.957 4.320 0.000 0.000 0.297 171 A C -1.081 176.578 177.584 0.125 0.000 1.062 171 A CA -0.901 51.185 52.037 0.082 0.000 0.686 171 A CB 0.820 19.854 19.000 0.057 0.000 1.285 171 A HN 0.280 nan 8.150 nan 0.000 0.403 172 F N 1.496 121.473 119.950 0.045 0.000 2.484 172 F HA 0.518 5.045 4.527 0.000 0.000 0.360 172 F C 0.889 176.725 175.800 0.060 0.000 1.101 172 F CA 0.345 58.388 58.000 0.071 0.000 1.251 172 F CB 1.118 40.164 39.000 0.077 0.000 1.132 172 F HN 0.652 nan 8.300 nan 0.000 0.570 173 K N 4.154 124.095 120.400 -0.764 0.000 2.157 173 K HA 0.292 4.613 4.320 0.000 0.000 0.207 173 K C -0.435 175.715 176.600 -0.750 0.000 1.030 173 K CA 0.772 56.729 56.287 -0.549 0.000 0.965 173 K CB 0.256 32.588 32.500 -0.280 0.000 0.877 173 K HN 0.797 nan 8.250 nan 0.000 0.460 174 R N -1.580 118.310 120.500 -1.016 0.000 2.774 174 R HA 0.321 4.661 4.340 0.000 0.000 0.279 174 R C -1.284 174.821 176.300 -0.326 0.000 1.022 174 R CA -0.840 54.938 56.100 -0.538 0.000 0.855 174 R CB 0.258 30.428 30.300 -0.216 0.000 1.279 174 R HN -0.176 nan 8.270 nan 0.000 0.485 175 M N 1.691 121.281 119.600 -0.018 0.000 2.300 175 M HA 0.399 4.880 4.480 0.000 0.000 0.348 175 M C -1.075 175.176 176.300 -0.081 0.000 1.151 175 M CA -1.093 54.202 55.300 -0.009 0.000 1.046 175 M CB 1.213 33.862 32.600 0.081 0.000 1.647 175 M HN 0.466 nan 8.290 nan 0.000 0.451 176 L N 3.333 124.474 121.223 -0.136 0.000 2.282 176 L HA 0.357 4.697 4.340 0.000 0.000 0.288 176 L C -0.023 176.802 176.870 -0.076 0.000 1.033 176 L CA -0.205 54.575 54.840 -0.099 0.000 0.807 176 L CB 0.855 42.841 42.059 -0.121 0.000 1.209 176 L HN 0.498 nan 8.230 nan 0.000 0.423 177 D N 2.829 123.197 120.400 -0.052 0.000 2.312 177 D HA 0.415 5.055 4.640 0.000 0.000 0.252 177 D C -0.028 176.250 176.300 -0.037 0.000 1.150 177 D CA 0.196 54.164 54.000 -0.052 0.000 0.870 177 D CB 1.829 42.604 40.800 -0.041 0.000 1.153 177 D HN 0.316 nan 8.370 nan 0.000 0.457 178 V N 0.433 120.325 119.914 -0.037 0.000 3.141 178 V HA 0.706 4.826 4.120 0.000 0.000 0.312 178 V C -2.729 173.352 176.094 -0.020 0.000 1.157 178 V CA -2.128 60.163 62.300 -0.015 0.000 1.041 178 V CB 1.537 33.384 31.823 0.039 0.000 1.071 178 V HN 0.225 nan 8.190 nan 0.000 0.441 179 P HA 0.262 nan 4.420 nan 0.000 0.286 179 P C -0.769 176.518 177.300 -0.023 0.000 1.293 179 P CA -0.324 62.788 63.100 0.021 0.000 0.770 179 P CB 0.220 31.988 31.700 0.114 0.000 1.206 180 D N 0.271 120.665 120.400 -0.009 0.000 2.597 180 D HA 0.094 4.734 4.640 0.000 0.000 0.228 180 D C -0.349 175.878 176.300 -0.123 0.000 1.120 180 D CA 0.516 54.481 54.000 -0.058 0.000 1.083 180 D CB -0.771 40.064 40.800 0.059 0.000 1.116 180 D HN 0.194 nan 8.370 nan 0.000 0.487 181 c N 1.152 119.544 118.600 -0.348 0.000 2.913 181 c HA 0.641 5.211 4.570 0.000 0.000 0.322 181 c C -0.564 173.068 174.090 -0.763 0.000 1.292 181 c CA -0.915 55.245 56.329 -0.282 0.000 1.649 181 c CB 1.149 43.668 42.510 0.015 0.000 2.139 181 c HN 0.396 nan 8.230 nan 0.000 0.475 182 Y N -1.306 119.056 120.300 0.103 0.000 2.588 182 Y HA 0.633 5.183 4.550 0.000 0.000 0.343 182 Y C -0.096 175.880 175.900 0.127 0.000 1.065 182 Y CA -0.402 57.619 58.100 -0.131 0.000 1.038 182 Y CB 0.605 39.064 38.460 -0.001 0.000 1.297 182 Y HN 0.964 nan 8.280 nan 0.000 0.467 183 H N -0.221 118.792 119.070 -0.096 0.000 4.747 183 H HA -0.059 4.497 4.556 0.000 0.000 0.260 183 H C -1.693 173.441 175.328 -0.324 0.000 0.537 183 H CA 0.257 56.211 56.048 -0.156 0.000 0.689 183 H CB -0.328 29.389 29.762 -0.076 0.000 0.913 183 H HN 0.639 nan 8.280 nan 0.000 0.306 184 I N 2.121 122.441 120.570 -0.417 0.000 2.497 184 I HA 0.267 4.437 4.170 0.000 0.000 0.284 184 I C -0.852 174.999 176.117 -0.445 0.000 1.060 184 I CA -0.281 60.820 61.300 -0.332 0.000 1.071 184 I CB 0.920 38.763 38.000 -0.262 0.000 1.216 184 I HN 0.228 nan 8.210 nan 0.000 0.442 185 F N 6.912 126.943 119.950 0.135 0.000 2.359 185 F HA 0.465 4.992 4.527 0.000 0.000 0.369 185 F C -2.431 173.456 175.800 0.144 0.000 1.084 185 F CA -2.819 55.057 58.000 -0.206 0.000 1.096 185 F CB 0.812 39.352 39.000 -0.767 0.000 1.335 185 F HN 0.157 nan 8.300 nan 0.000 0.457 186 P HA 0.191 nan 4.420 nan 0.000 0.276 186 P C 0.680 178.268 177.300 0.480 0.000 1.230 186 P CA -0.045 63.349 63.100 0.489 0.000 0.776 186 P CB 1.090 33.045 31.700 0.424 0.000 0.888 187 T N -0.548 114.265 114.554 0.432 0.000 2.958 187 T HA 0.614 4.964 4.350 0.000 0.000 0.256 187 T C 0.414 175.262 174.700 0.246 0.000 0.983 187 T CA -0.004 62.305 62.100 0.348 0.000 0.924 187 T CB 0.239 69.335 68.868 0.381 0.000 1.136 187 T HN 0.464 nan 8.240 nan 0.000 0.506 188 A N 1.220 124.183 122.820 0.237 0.000 2.588 188 A HA 0.754 5.074 4.320 0.000 0.000 0.290 188 A C -2.501 175.173 177.584 0.150 0.000 1.136 188 A CA -1.448 50.681 52.037 0.153 0.000 0.681 188 A CB 0.491 19.548 19.000 0.095 0.000 1.282 188 A HN -0.095 nan 8.150 nan 0.000 0.421 189 P HA -0.069 nan 4.420 nan 0.000 0.221 189 P C 0.036 177.311 177.300 -0.041 0.000 1.145 189 P CA 1.955 65.092 63.100 0.062 0.000 0.795 189 P CB 0.145 31.856 31.700 0.018 0.000 0.775 190 D N -3.569 116.729 120.400 -0.170 0.000 2.620 190 D HA 0.098 4.738 4.640 0.000 0.000 0.260 190 D C -0.459 175.650 176.300 -0.317 0.000 1.367 190 D CA -0.176 53.432 54.000 -0.653 0.000 0.805 190 D CB -0.352 40.077 40.800 -0.618 0.000 1.096 190 D HN -0.107 nan 8.370 nan 0.000 0.488 191 T N 0.515 115.136 114.554 0.113 0.000 2.933 191 T HA 0.621 4.971 4.350 0.000 0.000 0.305 191 T C -1.008 173.889 174.700 0.328 0.000 1.092 191 T CA -0.767 61.408 62.100 0.125 0.000 1.008 191 T CB 1.551 70.427 68.868 0.015 0.000 1.102 191 T HN 0.189 nan 8.240 nan 0.000 0.469 192 F N 0.317 120.335 119.950 0.115 0.000 2.668 192 F HA 0.889 5.416 4.527 0.000 0.000 0.309 192 F C -2.287 173.504 175.800 -0.015 0.000 1.117 192 F CA -1.861 56.240 58.000 0.168 0.000 0.951 192 F CB 0.866 39.975 39.000 0.182 0.000 1.323 192 F HN 0.402 nan 8.300 nan 0.000 0.451 193 F N 1.986 122.144 119.950 0.347 0.000 2.507 193 F HA 0.832 5.359 4.527 0.000 0.000 0.327 193 F C -0.064 175.999 175.800 0.439 0.000 1.068 193 F CA -0.949 57.211 58.000 0.266 0.000 0.965 193 F CB 2.255 41.369 39.000 0.190 0.000 1.192 193 F HN 0.406 nan 8.300 nan 0.000 0.476 194 M N 1.330 121.249 119.600 0.530 0.000 2.593 194 M HA 0.315 4.795 4.480 0.000 0.000 0.290 194 M C -1.181 175.468 176.300 0.583 0.000 1.244 194 M CA -0.741 54.857 55.300 0.497 0.000 0.857 194 M CB 2.836 35.627 32.600 0.318 0.000 1.738 194 M HN 0.584 nan 8.290 nan 0.000 0.461 195 H N 0.920 120.327 119.070 0.562 0.000 2.488 195 H HA 0.465 5.021 4.556 0.000 0.000 0.322 195 H C -1.551 174.037 175.328 0.433 0.000 1.078 195 H CA -0.598 55.756 56.048 0.510 0.000 1.260 195 H CB 1.004 31.074 29.762 0.513 0.000 1.425 195 H HN 0.769 nan 8.280 nan 0.000 0.471 196 c N 4.769 123.328 118.600 -0.067 0.000 2.358 196 c HA 0.237 4.807 4.570 0.000 0.000 0.354 196 c C 2.113 176.109 174.090 -0.158 0.000 1.183 196 c CA -0.792 55.531 56.329 -0.010 0.000 2.150 196 c CB 1.174 43.771 42.510 0.145 0.000 2.361 196 c HN 0.977 nan 8.230 nan 0.000 0.535 197 R N 1.117 121.670 120.500 0.088 0.000 2.117 197 R HA -0.178 4.162 4.340 0.000 0.000 0.243 197 R C 1.343 177.622 176.300 -0.034 0.000 1.143 197 R CA 2.492 58.635 56.100 0.071 0.000 0.968 197 R CB -0.279 30.122 30.300 0.169 0.000 0.863 197 R HN 0.940 nan 8.270 nan 0.000 0.444 198 D N -1.726 118.640 120.400 -0.056 0.000 2.363 198 D HA 0.032 4.672 4.640 0.000 0.000 0.226 198 D C 1.089 177.255 176.300 -0.224 0.000 1.020 198 D CA 0.924 54.858 54.000 -0.111 0.000 0.892 198 D CB 0.153 40.894 40.800 -0.098 0.000 0.900 198 D HN 0.418 nan 8.370 nan 0.000 0.531 199 G N -0.346 108.279 108.800 -0.292 0.000 2.175 199 G HA2 -0.254 3.706 3.960 0.000 0.000 0.244 199 G HA3 -0.254 3.706 3.960 0.000 0.000 0.244 199 G C 0.384 175.085 174.900 -0.332 0.000 0.982 199 G CA 0.383 45.118 45.100 -0.608 0.000 0.641 199 G HN 0.847 nan 8.290 nan 0.000 0.527 200 S N -0.641 115.053 115.700 -0.010 0.000 2.730 200 S HA 0.865 5.335 4.470 0.000 0.000 0.284 200 S C -0.271 174.606 174.600 0.462 0.000 1.153 200 S CA -0.839 57.520 58.200 0.265 0.000 0.995 200 S CB 2.417 65.777 63.200 0.267 0.000 1.058 200 S HN 0.753 nan 8.310 nan 0.000 0.552 201 L N 0.886 122.425 121.223 0.526 0.000 2.325 201 L HA 0.769 5.110 4.340 0.000 0.000 0.278 201 L C -0.030 177.006 176.870 0.277 0.000 1.023 201 L CA -0.426 54.707 54.840 0.489 0.000 0.811 201 L CB 1.430 43.778 42.059 0.482 0.000 1.249 201 L HN 1.031 nan 8.230 nan 0.000 0.431 202 A N 3.807 126.709 122.820 0.137 0.000 2.318 202 A HA 0.601 4.921 4.320 0.000 0.000 0.324 202 A C -0.677 176.762 177.584 -0.242 0.000 1.170 202 A CA -0.670 51.236 52.037 -0.218 0.000 0.810 202 A CB 0.677 19.469 19.000 -0.348 0.000 1.198 202 A HN 0.618 nan 8.150 nan 0.000 0.484 203 K N 2.492 122.636 120.400 -0.427 0.000 2.240 203 K HA 0.578 4.898 4.320 0.000 0.000 0.271 203 K C -1.473 174.750 176.600 -0.628 0.000 1.018 203 K CA -0.311 55.486 56.287 -0.815 0.000 0.874 203 K CB 1.076 33.142 32.500 -0.724 0.000 1.098 203 K HN 0.421 nan 8.250 nan 0.000 0.458 204 V N 3.327 122.765 119.914 -0.794 0.000 2.409 204 V HA 0.551 4.671 4.120 0.000 0.000 0.291 204 V C -0.521 175.255 176.094 -0.530 0.000 1.020 204 V CA -0.921 60.948 62.300 -0.719 0.000 0.848 204 V CB 1.246 32.370 31.823 -1.164 0.000 0.990 204 V HN 0.899 nan 8.190 nan 0.000 0.430 205 A N 5.908 128.579 122.820 -0.249 0.000 2.318 205 A HA 0.963 5.283 4.320 0.000 0.000 0.317 205 A C -0.806 176.801 177.584 0.039 0.000 1.159 205 A CA -0.405 51.566 52.037 -0.111 0.000 0.799 205 A CB 0.746 19.662 19.000 -0.140 0.000 1.194 205 A HN 0.904 nan 8.150 nan 0.000 0.479 206 F N 0.965 120.861 119.950 -0.090 0.000 2.654 206 F HA 0.979 5.506 4.527 0.000 0.000 0.334 206 F C 0.294 176.083 175.800 -0.019 0.000 1.078 206 F CA -1.002 56.974 58.000 -0.040 0.000 0.986 206 F CB 1.066 40.072 39.000 0.009 0.000 1.362 206 F HN 0.775 nan 8.300 nan 0.000 0.498 207 G N -0.836 107.988 108.800 0.041 0.000 2.866 207 G HA2 0.440 4.400 3.960 0.000 0.000 0.289 207 G HA3 0.440 4.400 3.960 0.000 0.000 0.289 207 G C -0.817 174.120 174.900 0.061 0.000 1.396 207 G CA -0.667 44.400 45.100 -0.055 0.000 0.848 207 G HN 0.703 nan 8.290 nan 0.000 0.515 208 T N 0.766 115.331 114.554 0.017 0.000 3.361 208 T HA 0.253 4.603 4.350 0.000 0.000 0.251 208 T C -0.058 174.656 174.700 0.023 0.000 1.131 208 T CA 0.914 63.032 62.100 0.031 0.000 1.001 208 T CB -0.972 67.901 68.868 0.008 0.000 1.003 208 T HN 0.676 nan 8.240 nan 0.000 0.558 209 E N -0.809 119.408 120.200 0.029 0.000 2.470 209 E HA 0.463 4.814 4.350 0.000 0.000 0.287 209 E C -0.318 176.294 176.600 0.020 0.000 1.126 209 E CA -1.059 55.352 56.400 0.018 0.000 0.902 209 E CB 0.401 30.105 29.700 0.007 0.000 1.196 209 E HN 0.166 nan 8.360 nan 0.000 0.430 210 G N 1.081 109.890 108.800 0.016 0.000 2.699 210 G HA2 -0.094 3.866 3.960 0.000 0.000 0.686 210 G HA3 -0.094 3.866 3.960 0.000 0.000 0.686 210 G C -0.374 174.537 174.900 0.019 0.000 1.301 210 G CA -0.444 44.664 45.100 0.013 0.000 0.816 210 G HN 0.669 nan 8.290 nan 0.000 0.595 211 T N 3.781 118.340 114.554 0.009 0.000 2.916 211 T HA 0.497 4.848 4.350 0.000 0.000 0.303 211 T C -1.144 173.563 174.700 0.011 0.000 1.025 211 T CA 0.269 62.374 62.100 0.007 0.000 1.142 211 T CB 1.044 69.911 68.868 -0.002 0.000 0.947 211 T HN 0.703 nan 8.240 nan 0.000 0.544 212 P HA 0.179 nan 4.420 nan 0.000 0.275 212 P C -0.545 176.738 177.300 -0.028 0.000 1.228 212 P CA -0.588 62.522 63.100 0.017 0.000 0.786 212 P CB 0.752 32.468 31.700 0.028 0.000 0.927 213 E N 3.015 123.187 120.200 -0.047 0.000 2.194 213 E HA 0.435 4.785 4.350 0.000 0.000 0.284 213 E C -0.224 176.308 176.600 -0.112 0.000 1.035 213 E CA -0.540 55.821 56.400 -0.065 0.000 0.836 213 E CB 0.735 30.398 29.700 -0.062 0.000 1.070 213 E HN 0.410 nan 8.360 nan 0.000 0.401 214 I N 2.573 123.083 120.570 -0.101 0.000 2.406 214 I HA 0.244 4.414 4.170 0.000 0.000 0.290 214 I C -0.107 175.944 176.117 -0.110 0.000 0.999 214 I CA -0.665 60.544 61.300 -0.150 0.000 1.124 214 I CB 2.033 39.952 38.000 -0.134 0.000 1.289 214 I HN 0.546 nan 8.210 nan 0.000 0.441 215 T N 1.183 115.639 114.554 -0.162 0.000 2.876 215 T HA 0.509 4.860 4.350 0.000 0.000 0.289 215 T C -0.646 173.983 174.700 -0.118 0.000 1.014 215 T CA -0.825 61.234 62.100 -0.068 0.000 0.986 215 T CB 1.723 70.566 68.868 -0.043 0.000 1.021 215 T HN 0.391 nan 8.240 nan 0.000 0.458 216 H N 1.258 120.343 119.070 0.024 0.000 2.502 216 H HA 0.561 5.117 4.556 0.000 0.000 0.338 216 H C 0.721 176.117 175.328 0.112 0.000 1.155 216 H CA -0.418 55.673 56.048 0.070 0.000 1.237 216 H CB 2.154 31.949 29.762 0.055 0.000 1.534 216 H HN 0.960 nan 8.280 nan 0.000 0.523 217 T N -0.773 113.962 114.554 0.302 0.000 2.880 217 T HA 0.269 4.619 4.350 0.000 0.000 0.279 217 T C 0.219 175.078 174.700 0.266 0.000 0.990 217 T CA -1.100 61.185 62.100 0.309 0.000 0.938 217 T CB 0.850 69.986 68.868 0.448 0.000 1.206 217 T HN 0.621 nan 8.240 nan 0.000 0.573 218 E N 0.082 120.419 120.200 0.229 0.000 2.392 218 E HA 0.446 4.796 4.350 0.000 0.000 0.259 218 E C -0.613 176.010 176.600 0.039 0.000 1.108 218 E CA -1.014 55.438 56.400 0.086 0.000 0.916 218 E CB 0.222 29.938 29.700 0.028 0.000 0.989 218 E HN 0.379 nan 8.360 nan 0.000 0.432 219 V N 2.851 122.733 119.914 -0.053 0.000 2.529 219 V HA -0.059 4.061 4.120 0.000 0.000 0.292 219 V C 0.252 176.203 176.094 -0.239 0.000 1.028 219 V CA 0.207 62.413 62.300 -0.156 0.000 1.074 219 V CB -0.632 31.056 31.823 -0.225 0.000 0.958 219 V HN 0.761 nan 8.190 nan 0.000 0.481 220 F N 3.450 123.124 119.950 -0.460 0.000 2.653 220 F HA 0.471 4.998 4.527 0.000 0.000 0.304 220 F C 0.392 175.965 175.800 -0.378 0.000 1.092 220 F CA -0.567 57.085 58.000 -0.580 0.000 1.279 220 F CB -0.440 37.972 39.000 -0.980 0.000 1.044 220 F HN 0.677 nan 8.300 nan 0.000 0.564 221 H N -1.682 116.966 119.070 -0.703 0.000 3.085 221 H HA 0.609 5.165 4.556 0.000 0.000 0.356 221 H C -3.412 171.676 175.328 -0.401 0.000 1.178 221 H CA -2.404 53.300 56.048 -0.573 0.000 1.214 221 H CB 0.795 30.037 29.762 -0.866 0.000 1.881 221 H HN -0.163 nan 8.280 nan 0.000 0.538 222 P HA 0.045 nan 4.420 nan 0.000 0.272 222 P C 0.362 177.568 177.300 -0.156 0.000 1.240 222 P CA -0.253 62.734 63.100 -0.189 0.000 0.791 222 P CB 1.525 33.141 31.700 -0.139 0.000 0.978 223 E N 0.141 120.243 120.200 -0.163 0.000 2.160 223 E HA -0.192 4.158 4.350 0.000 0.000 0.195 223 E C 0.931 177.411 176.600 -0.200 0.000 0.991 223 E CA 1.366 57.696 56.400 -0.117 0.000 0.810 223 E CB 0.021 29.679 29.700 -0.071 0.000 0.742 223 E HN 0.529 nan 8.360 nan 0.000 0.466 224 D N -0.254 119.965 120.400 -0.301 0.000 2.325 224 D HA -0.040 4.600 4.640 0.000 0.000 0.225 224 D C -0.004 175.712 176.300 -0.972 0.000 1.096 224 D CA 0.095 53.762 54.000 -0.555 0.000 0.844 224 D CB 0.097 40.750 40.800 -0.245 0.000 0.925 224 D HN 0.076 nan 8.370 nan 0.000 0.513 225 E N 0.560 120.300 120.200 -0.767 0.000 2.092 225 E HA 0.247 4.597 4.350 0.000 0.000 0.271 225 E C -1.195 174.927 176.600 -0.798 0.000 0.919 225 E CA -0.706 55.301 56.400 -0.655 0.000 0.760 225 E CB 0.703 30.232 29.700 -0.284 0.000 1.106 225 E HN -0.127 nan 8.360 nan 0.000 0.408 226 F N 4.401 124.106 119.950 -0.408 0.000 2.391 226 F HA 0.280 4.807 4.527 0.000 0.000 0.359 226 F C -0.182 175.298 175.800 -0.534 0.000 1.122 226 F CA -0.873 56.761 58.000 -0.610 0.000 1.120 226 F CB 0.420 38.746 39.000 -1.124 0.000 1.142 226 F HN 0.334 nan 8.300 nan 0.000 0.483 227 L N 5.157 126.167 121.223 -0.354 0.000 2.290 227 L HA 0.369 4.709 4.340 0.000 0.000 0.284 227 L C 0.508 177.447 176.870 0.115 0.000 1.078 227 L CA -0.526 54.120 54.840 -0.323 0.000 0.815 227 L CB 0.386 41.758 42.059 -1.145 0.000 1.162 227 L HN 0.511 nan 8.230 nan 0.000 0.435 228 I N 0.038 120.838 120.570 0.385 0.000 3.161 228 I HA 0.056 4.226 4.170 0.000 0.000 0.284 228 I C 0.914 177.244 176.117 0.356 0.000 1.252 228 I CA -0.017 61.530 61.300 0.413 0.000 1.374 228 I CB 0.448 38.663 38.000 0.359 0.000 1.359 228 I HN 0.532 nan 8.210 nan 0.000 0.606 229 N N 1.069 119.825 118.700 0.093 0.000 2.515 229 N HA -0.049 4.691 4.740 0.000 0.000 0.185 229 N C -0.235 174.933 175.510 -0.569 0.000 1.109 229 N CA 0.847 53.711 53.050 -0.311 0.000 0.903 229 N CB -0.355 37.561 38.487 -0.952 0.000 0.969 229 N HN 0.659 nan 8.380 nan 0.000 0.450 230 H N -0.029 118.912 119.070 -0.215 0.000 2.355 230 H HA 0.270 4.827 4.556 0.000 0.000 0.232 230 H C -2.141 173.087 175.328 -0.168 0.000 1.422 230 H CA -1.526 54.420 56.048 -0.169 0.000 1.261 230 H CB 0.639 30.284 29.762 -0.195 0.000 1.595 230 H HN 0.148 nan 8.280 nan 0.000 0.529 231 P HA 0.221 nan 4.420 nan 0.000 0.274 231 P C -0.325 176.862 177.300 -0.188 0.000 1.246 231 P CA -0.462 62.278 63.100 -0.601 0.000 0.795 231 P CB 1.323 31.988 31.700 -1.725 0.000 1.006 232 A N 1.459 124.194 122.820 -0.141 0.000 2.292 232 A HA 0.506 4.826 4.320 0.000 0.000 0.319 232 A C -1.368 176.168 177.584 -0.080 0.000 1.206 232 A CA -0.385 51.685 52.037 0.054 0.000 0.835 232 A CB 0.217 19.298 19.000 0.135 0.000 1.164 232 A HN 0.560 nan 8.150 nan 0.000 0.505 233 Y N 2.140 122.323 120.300 -0.195 0.000 2.361 233 Y HA 0.564 5.114 4.550 0.000 0.000 0.337 233 Y C -0.164 175.664 175.900 -0.120 0.000 0.965 233 Y CA -1.053 56.779 58.100 -0.447 0.000 1.091 233 Y CB 2.129 39.939 38.460 -1.082 0.000 1.182 233 Y HN 0.541 nan 8.280 nan 0.000 0.450 234 S N 5.848 121.210 115.700 -0.563 0.000 2.474 234 S HA 0.175 4.645 4.470 0.000 0.000 0.320 234 S C 0.822 174.973 174.600 -0.748 0.000 1.067 234 S CA -0.464 57.509 58.200 -0.379 0.000 1.127 234 S CB 0.770 63.992 63.200 0.038 0.000 0.971 234 S HN 1.005 nan 8.310 nan 0.000 0.472 235 Q N 4.180 123.525 119.800 -0.757 0.000 2.124 235 Q HA -0.096 4.244 4.340 0.000 0.000 0.202 235 Q C 1.537 177.415 176.000 -0.203 0.000 0.977 235 Q CA 1.572 57.053 55.803 -0.535 0.000 0.850 235 Q CB 0.013 28.669 28.738 -0.136 0.000 0.901 235 Q HN 0.691 nan 8.270 nan 0.000 0.429 236 K N -0.792 119.532 120.400 -0.125 0.000 2.211 236 K HA -0.064 4.256 4.320 0.000 0.000 0.203 236 K C 1.547 178.119 176.600 -0.046 0.000 1.050 236 K CA 0.946 57.201 56.287 -0.054 0.000 0.945 236 K CB 0.132 32.613 32.500 -0.032 0.000 0.732 236 K HN 0.202 nan 8.250 nan 0.000 0.451 237 A N 0.064 122.845 122.820 -0.065 0.000 2.252 237 A HA 0.252 4.572 4.320 0.000 0.000 0.213 237 A C 1.270 178.817 177.584 -0.062 0.000 1.188 237 A CA 0.570 52.594 52.037 -0.021 0.000 0.863 237 A CB 0.143 19.192 19.000 0.082 0.000 0.893 237 A HN 0.310 nan 8.150 nan 0.000 0.495 238 G N -0.373 108.356 108.800 -0.118 0.000 2.225 238 G HA2 -0.279 3.681 3.960 0.000 0.000 0.267 238 G HA3 -0.279 3.681 3.960 0.000 0.000 0.267 238 G C 0.178 175.023 174.900 -0.091 0.000 1.024 238 G CA 0.725 45.786 45.100 -0.066 0.000 0.784 238 G HN 0.718 nan 8.290 nan 0.000 0.507 239 R N -0.304 120.095 120.500 -0.168 0.000 2.338 239 R HA 0.731 5.071 4.340 0.000 0.000 0.317 239 R C -0.404 175.750 176.300 -0.243 0.000 0.968 239 R CA -0.944 55.002 56.100 -0.256 0.000 0.849 239 R CB 0.784 30.837 30.300 -0.411 0.000 1.128 239 R HN 0.234 nan 8.270 nan 0.000 0.448 240 L N 5.524 126.585 121.223 -0.269 0.000 2.298 240 L HA 0.524 4.864 4.340 0.000 0.000 0.284 240 L C -1.166 175.520 176.870 -0.307 0.000 1.013 240 L CA -0.997 53.640 54.840 -0.340 0.000 0.824 240 L CB 1.664 43.391 42.059 -0.553 0.000 1.221 240 L HN 0.449 nan 8.230 nan 0.000 0.418 241 V N 4.736 124.475 119.914 -0.292 0.000 2.328 241 V HA 0.299 4.419 4.120 0.000 0.000 0.278 241 V C -0.784 175.270 176.094 -0.068 0.000 1.021 241 V CA -0.471 61.733 62.300 -0.161 0.000 0.838 241 V CB 1.424 33.148 31.823 -0.165 0.000 0.999 241 V HN 0.631 nan 8.190 nan 0.000 0.447 242 W N 8.485 129.743 121.300 -0.070 0.000 2.393 242 W HA 0.508 5.168 4.660 0.000 0.000 0.315 242 W C -2.872 173.674 176.519 0.045 0.000 1.009 242 W CA -2.822 54.507 57.345 -0.027 0.000 1.313 242 W CB 2.217 31.647 29.460 -0.050 0.000 1.269 242 W HN 0.404 nan 8.180 nan 0.000 0.420 243 P HA 0.273 nan 4.420 nan 0.000 0.279 243 P C 0.065 177.532 177.300 0.278 0.000 1.252 243 P CA 0.235 63.490 63.100 0.258 0.000 0.811 243 P CB 1.385 33.203 31.700 0.197 0.000 1.035 244 T N -1.965 112.689 114.554 0.167 0.000 2.937 244 T HA 0.284 4.634 4.350 0.000 0.000 0.283 244 T C 0.769 175.615 174.700 0.242 0.000 1.012 244 T CA -0.241 61.935 62.100 0.127 0.000 0.997 244 T CB 0.120 68.995 68.868 0.012 0.000 1.136 244 T HN 0.136 nan 8.240 nan 0.000 0.551 245 Y N 1.030 121.355 120.300 0.042 0.000 2.384 245 Y HA -0.037 4.513 4.550 0.000 0.000 0.289 245 Y C 2.956 178.855 175.900 -0.003 0.000 1.152 245 Y CA 1.591 59.699 58.100 0.014 0.000 1.258 245 Y CB -1.253 37.188 38.460 -0.030 0.000 0.979 245 Y HN 0.909 nan 8.280 nan 0.000 0.549 246 T N -4.895 109.747 114.554 0.147 0.000 3.086 246 T HA 0.416 4.766 4.350 0.000 0.000 0.250 246 T C 1.722 176.457 174.700 0.059 0.000 1.074 246 T CA 0.579 62.722 62.100 0.071 0.000 0.988 246 T CB 0.094 68.977 68.868 0.024 0.000 0.988 246 T HN 0.375 nan 8.240 nan 0.000 0.530 247 G N 1.487 110.331 108.800 0.073 0.000 2.179 247 G HA2 -0.234 3.726 3.960 0.000 0.000 0.220 247 G HA3 -0.234 3.726 3.960 0.000 0.000 0.220 247 G C -0.034 174.874 174.900 0.014 0.000 0.990 247 G CA 0.031 45.165 45.100 0.056 0.000 0.646 247 G HN 0.823 nan 8.290 nan 0.000 0.517 248 K N 0.774 121.165 120.400 -0.016 0.000 2.350 248 K HA 0.536 4.856 4.320 0.000 0.000 0.279 248 K C -0.073 176.470 176.600 -0.094 0.000 1.027 248 K CA -0.291 55.944 56.287 -0.087 0.000 0.969 248 K CB 0.140 32.554 32.500 -0.143 0.000 0.954 248 K HN 0.257 nan 8.250 nan 0.000 0.474 249 I N 4.911 125.409 120.570 -0.121 0.000 2.389 249 I HA 0.176 4.346 4.170 0.000 0.000 0.288 249 I C -0.194 175.857 176.117 -0.110 0.000 0.999 249 I CA -0.869 60.397 61.300 -0.057 0.000 1.129 249 I CB 1.298 39.296 38.000 -0.003 0.000 1.288 249 I HN 0.560 nan 8.210 nan 0.000 0.444 250 H N 6.220 125.351 119.070 0.102 0.000 2.489 250 H HA 0.419 4.975 4.556 0.000 0.000 0.322 250 H C -0.715 174.658 175.328 0.076 0.000 1.091 250 H CA -0.294 55.830 56.048 0.127 0.000 1.291 250 H CB 1.645 31.552 29.762 0.241 0.000 1.436 250 H HN 0.513 nan 8.280 nan 0.000 0.480 251 Q N 2.741 122.618 119.800 0.129 0.000 2.340 251 Q HA 0.419 4.760 4.340 0.000 0.000 0.268 251 Q C -0.821 175.132 176.000 -0.078 0.000 1.031 251 Q CA -0.953 54.840 55.803 -0.016 0.000 0.804 251 Q CB 2.399 31.099 28.738 -0.064 0.000 1.286 251 Q HN 0.425 nan 8.270 nan 0.000 0.448 252 I N 1.502 121.944 120.570 -0.212 0.000 2.436 252 I HA 0.188 4.358 4.170 0.000 0.000 0.289 252 I C -0.636 175.260 176.117 -0.369 0.000 1.010 252 I CA -0.550 60.522 61.300 -0.381 0.000 1.098 252 I CB 1.718 39.392 38.000 -0.544 0.000 1.266 252 I HN 0.413 nan 8.210 nan 0.000 0.434 253 D N 6.204 126.386 120.400 -0.363 0.000 2.317 253 D HA 0.386 5.027 4.640 0.000 0.000 0.234 253 D C 0.097 176.197 176.300 -0.333 0.000 1.112 253 D CA -0.098 53.734 54.000 -0.280 0.000 0.840 253 D CB 1.121 41.803 40.800 -0.196 0.000 1.078 253 D HN 0.476 nan 8.370 nan 0.000 0.486 254 L N 2.773 123.818 121.223 -0.296 0.000 2.808 254 L HA 0.075 4.415 4.340 0.000 0.000 0.246 254 L C 2.055 178.839 176.870 -0.143 0.000 1.153 254 L CA -0.080 54.565 54.840 -0.324 0.000 0.956 254 L CB 0.102 41.896 42.059 -0.442 0.000 1.270 254 L HN 0.351 nan 8.230 nan 0.000 0.528 255 S N -0.581 115.057 115.700 -0.104 0.000 2.442 255 S HA -0.174 4.296 4.470 0.000 0.000 0.236 255 S C 2.004 176.588 174.600 -0.027 0.000 1.007 255 S CA 1.286 59.458 58.200 -0.047 0.000 0.965 255 S CB -0.335 62.839 63.200 -0.044 0.000 0.773 255 S HN 0.534 nan 8.310 nan 0.000 0.504 256 S N -0.065 115.610 115.700 -0.042 0.000 2.558 256 S HA 0.480 4.950 4.470 0.000 0.000 0.217 256 S C 1.625 176.232 174.600 0.011 0.000 0.975 256 S CA 0.552 58.741 58.200 -0.018 0.000 0.912 256 S CB -0.319 62.863 63.200 -0.029 0.000 0.776 256 S HN 1.427 nan 8.310 nan 0.000 0.526 257 G N 0.292 109.108 108.800 0.027 0.000 2.213 257 G HA2 -0.142 3.818 3.960 0.000 0.000 0.226 257 G HA3 -0.142 3.818 3.960 0.000 0.000 0.226 257 G C -0.416 174.589 174.900 0.175 0.000 0.992 257 G CA 0.129 45.290 45.100 0.103 0.000 0.632 257 G HN 0.549 nan 8.290 nan 0.000 0.511 258 D N 0.366 120.811 120.400 0.074 0.000 2.527 258 D HA 0.647 5.287 4.640 0.000 0.000 0.233 258 D C 0.334 176.563 176.300 -0.118 0.000 1.063 258 D CA 0.403 54.455 54.000 0.087 0.000 0.880 258 D CB 1.724 42.553 40.800 0.049 0.000 1.457 258 D HN 0.585 nan 8.370 nan 0.000 0.475 259 A N 1.789 124.497 122.820 -0.186 0.000 2.454 259 A HA 0.264 4.584 4.320 0.000 0.000 0.260 259 A C 0.174 177.436 177.584 -0.537 0.000 1.106 259 A CA 0.124 51.852 52.037 -0.516 0.000 0.780 259 A CB 0.232 18.856 19.000 -0.626 0.000 1.044 259 A HN 0.392 nan 8.150 nan 0.000 0.498 260 K N 3.130 123.184 120.400 -0.577 0.000 2.413 260 K HA 0.517 4.837 4.320 0.000 0.000 0.257 260 K C -1.743 174.548 176.600 -0.515 0.000 0.946 260 K CA -0.451 55.595 56.287 -0.402 0.000 0.823 260 K CB 0.683 33.059 32.500 -0.207 0.000 1.109 260 K HN 0.504 nan 8.250 nan 0.000 0.427 261 F N 4.783 124.671 119.950 -0.103 0.000 2.404 261 F HA 0.240 4.767 4.527 0.000 0.000 0.358 261 F C 0.159 175.929 175.800 -0.051 0.000 1.120 261 F CA -0.724 57.216 58.000 -0.101 0.000 1.144 261 F CB 0.495 39.454 39.000 -0.068 0.000 1.133 261 F HN 0.289 nan 8.300 nan 0.000 0.495 262 L N 5.010 126.282 121.223 0.082 0.000 2.456 262 L HA 0.433 4.774 4.340 0.000 0.000 0.257 262 L C -1.931 174.989 176.870 0.082 0.000 1.162 262 L CA -2.084 52.786 54.840 0.050 0.000 0.808 262 L CB -0.389 41.667 42.059 -0.004 0.000 1.136 262 L HN 0.369 nan 8.230 nan 0.000 0.466 263 P HA 0.218 nan 4.420 nan 0.000 0.267 263 P C -0.964 176.346 177.300 0.016 0.000 1.205 263 P CA -0.294 62.828 63.100 0.035 0.000 0.765 263 P CB 0.576 32.284 31.700 0.014 0.000 0.828 264 A N 3.170 125.991 122.820 0.001 0.000 2.445 264 A HA 0.474 4.795 4.320 0.000 0.000 0.242 264 A C 0.191 177.730 177.584 -0.075 0.000 1.075 264 A CA -0.107 51.884 52.037 -0.078 0.000 0.777 264 A CB -0.028 18.861 19.000 -0.183 0.000 1.013 264 A HN 0.489 nan 8.150 nan 0.000 0.493 265 V N -0.533 119.329 119.914 -0.086 0.000 2.876 265 V HA 0.662 4.782 4.120 0.000 0.000 0.312 265 V C -0.578 175.471 176.094 -0.075 0.000 1.085 265 V CA -1.035 61.225 62.300 -0.067 0.000 0.945 265 V CB 1.989 33.783 31.823 -0.048 0.000 1.017 265 V HN 0.790 nan 8.190 nan 0.000 0.428 266 E N 2.358 122.519 120.200 -0.066 0.000 2.200 266 E HA 0.527 4.877 4.350 0.000 0.000 0.283 266 E C 0.798 177.363 176.600 -0.057 0.000 1.015 266 E CA 0.182 56.545 56.400 -0.061 0.000 0.819 266 E CB 1.951 31.616 29.700 -0.058 0.000 1.081 266 E HN 0.948 nan 8.360 nan 0.000 0.397 267 A N 4.385 127.178 122.820 -0.045 0.000 2.072 267 A HA 0.076 4.396 4.320 0.000 0.000 0.216 267 A C 0.876 178.419 177.584 -0.069 0.000 1.156 267 A CA 0.507 52.516 52.037 -0.047 0.000 0.701 267 A CB 0.185 19.176 19.000 -0.015 0.000 0.816 267 A HN 0.501 nan 8.150 nan 0.000 0.458 268 L N 0.686 121.872 121.223 -0.062 0.000 2.331 268 L HA 0.361 4.701 4.340 0.000 0.000 0.275 268 L C 0.771 177.575 176.870 -0.109 0.000 1.022 268 L CA -0.773 54.009 54.840 -0.096 0.000 0.812 268 L CB 1.893 43.927 42.059 -0.042 0.000 1.257 268 L HN 0.295 nan 8.230 nan 0.000 0.435 269 T N -2.542 111.916 114.554 -0.159 0.000 2.766 269 T HA 0.100 4.450 4.350 0.000 0.000 0.295 269 T C 0.993 175.631 174.700 -0.103 0.000 1.024 269 T CA -0.689 61.330 62.100 -0.135 0.000 1.018 269 T CB 1.028 69.795 68.868 -0.168 0.000 1.002 269 T HN 0.523 nan 8.240 nan 0.000 0.532 270 E N 0.903 121.055 120.200 -0.080 0.000 2.085 270 E HA -0.137 4.213 4.350 0.000 0.000 0.194 270 E C 2.450 179.019 176.600 -0.052 0.000 0.994 270 E CA 1.669 58.036 56.400 -0.055 0.000 0.801 270 E CB -1.055 28.617 29.700 -0.047 0.000 0.743 270 E HN 0.835 nan 8.360 nan 0.000 0.453 271 A N 1.382 124.158 122.820 -0.073 0.000 1.898 271 A HA -0.201 4.119 4.320 0.000 0.000 0.216 271 A C 2.082 179.627 177.584 -0.065 0.000 1.181 271 A CA 1.546 53.544 52.037 -0.064 0.000 0.620 271 A CB -0.443 18.507 19.000 -0.084 0.000 0.819 271 A HN 0.228 nan 8.150 nan 0.000 0.442 272 E N -0.356 119.751 120.200 -0.156 0.000 2.051 272 E HA -0.189 4.161 4.350 0.000 0.000 0.192 272 E C 2.323 178.966 176.600 0.073 0.000 0.991 272 E CA 1.158 57.429 56.400 -0.215 0.000 0.799 272 E CB -0.213 29.174 29.700 -0.522 0.000 0.748 272 E HN 0.503 nan 8.360 nan 0.000 0.449 273 R N 0.425 120.940 120.500 0.025 0.000 2.096 273 R HA -0.091 4.249 4.340 0.000 0.000 0.235 273 R C 2.342 178.681 176.300 0.065 0.000 1.127 273 R CA 1.096 57.233 56.100 0.062 0.000 0.968 273 R CB -0.312 29.998 30.300 0.016 0.000 0.861 273 R HN 0.117 nan 8.270 nan 0.000 0.440 274 A N 1.238 124.084 122.820 0.043 0.000 1.969 274 A HA -0.129 4.191 4.320 0.000 0.000 0.218 274 A C 1.315 178.938 177.584 0.065 0.000 1.169 274 A CA 1.317 53.377 52.037 0.039 0.000 0.635 274 A CB -0.081 18.930 19.000 0.018 0.000 0.810 274 A HN 0.117 nan 8.150 nan 0.000 0.445 275 D N -0.995 119.476 120.400 0.119 0.000 2.336 275 D HA 0.248 4.888 4.640 0.000 0.000 0.229 275 D C 1.203 177.585 176.300 0.136 0.000 1.061 275 D CA 1.050 55.141 54.000 0.153 0.000 0.875 275 D CB 0.049 40.997 40.800 0.247 0.000 0.904 275 D HN 0.580 nan 8.370 nan 0.000 0.525 276 G N 0.644 109.516 108.800 0.121 0.000 2.132 276 G HA2 -0.246 3.714 3.960 0.000 0.000 0.228 276 G HA3 -0.246 3.714 3.960 0.000 0.000 0.228 276 G C -0.295 174.617 174.900 0.020 0.000 1.000 276 G CA -0.501 44.623 45.100 0.040 0.000 0.693 276 G HN 0.130 nan 8.290 nan 0.000 0.515 277 W N 0.229 121.497 121.300 -0.053 0.000 2.272 277 W HA 0.795 5.455 4.660 0.000 0.000 0.318 277 W C 0.997 177.493 176.519 -0.038 0.000 1.255 277 W CA -0.246 57.064 57.345 -0.057 0.000 1.200 277 W CB 0.684 30.091 29.460 -0.088 0.000 1.170 277 W HN 0.216 nan 8.180 nan 0.000 0.549 278 R N 2.925 123.529 120.500 0.174 0.000 2.710 278 R HA 0.365 4.705 4.340 0.000 0.000 0.270 278 R C -2.568 173.807 176.300 0.125 0.000 1.021 278 R CA -1.913 54.256 56.100 0.114 0.000 0.889 278 R CB 2.286 32.608 30.300 0.035 0.000 1.243 278 R HN 0.126 nan 8.270 nan 0.000 0.464 279 P HA 0.290 nan 4.420 nan 0.000 0.274 279 P C -0.732 176.630 177.300 0.104 0.000 1.246 279 P CA -0.235 62.943 63.100 0.130 0.000 0.795 279 P CB 1.179 32.959 31.700 0.134 0.000 1.006 280 G N -1.285 107.585 108.800 0.116 0.000 2.691 280 G HA2 0.586 4.546 3.960 0.000 0.000 0.298 280 G HA3 0.586 4.546 3.960 0.000 0.000 0.298 280 G C -0.780 174.190 174.900 0.118 0.000 1.471 280 G CA 0.034 45.196 45.100 0.102 0.000 0.912 280 G HN 0.817 nan 8.290 nan 0.000 0.553 281 G N -0.026 108.851 108.800 0.129 0.000 2.291 281 G HA2 0.137 4.097 3.960 0.000 0.000 0.249 281 G HA3 0.137 4.097 3.960 0.000 0.000 0.249 281 G C 0.193 175.228 174.900 0.225 0.000 1.340 281 G CA 0.279 45.476 45.100 0.161 0.000 1.017 281 G HN 0.987 nan 8.290 nan 0.000 0.470 282 W N 0.172 121.428 121.300 -0.073 0.000 3.695 282 W HA 0.320 4.980 4.660 0.000 0.000 0.238 282 W C 0.679 176.942 176.519 -0.426 0.000 1.486 282 W CA 0.517 57.708 57.345 -0.258 0.000 2.366 282 W CB 0.208 29.546 29.460 -0.203 0.000 1.392 282 W HN 0.465 nan 8.180 nan 0.000 0.556 283 Q N 2.363 122.085 119.800 -0.130 0.000 2.534 283 Q HA -0.009 4.331 4.340 0.000 0.000 0.223 283 Q C 0.880 176.920 176.000 0.066 0.000 1.239 283 Q CA 0.185 55.947 55.803 -0.070 0.000 0.936 283 Q CB 0.753 29.554 28.738 0.106 0.000 1.457 283 Q HN 0.383 nan 8.270 nan 0.000 0.547 284 Q N 0.236 120.075 119.800 0.065 0.000 2.378 284 Q HA 0.036 4.376 4.340 0.000 0.000 0.205 284 Q C 0.376 176.466 176.000 0.150 0.000 0.954 284 Q CA 0.434 56.309 55.803 0.120 0.000 0.901 284 Q CB 0.713 29.526 28.738 0.125 0.000 0.981 284 Q HN 0.322 nan 8.270 nan 0.000 0.483 285 V N -0.528 119.478 119.914 0.154 0.000 2.876 285 V HA 0.821 4.941 4.120 0.000 0.000 0.312 285 V C -1.777 174.443 176.094 0.210 0.000 1.085 285 V CA -0.709 61.699 62.300 0.180 0.000 0.945 285 V CB 1.944 33.857 31.823 0.150 0.000 1.017 285 V HN 0.066 nan 8.190 nan 0.000 0.428 286 A N 4.678 127.661 122.820 0.270 0.000 2.515 286 A HA 0.882 5.202 4.320 0.000 0.000 0.296 286 A C -2.093 175.746 177.584 0.425 0.000 1.094 286 A CA -0.547 51.663 52.037 0.289 0.000 0.718 286 A CB 1.861 20.975 19.000 0.189 0.000 1.307 286 A HN 1.418 nan 8.150 nan 0.000 0.408 287 Y N 0.500 120.934 120.300 0.223 0.000 2.386 287 Y HA 0.570 5.120 4.550 0.000 0.000 0.334 287 Y C -0.870 175.159 175.900 0.216 0.000 1.002 287 Y CA -0.592 57.643 58.100 0.225 0.000 1.068 287 Y CB 1.566 40.091 38.460 0.108 0.000 1.203 287 Y HN 0.882 nan 8.280 nan 0.000 0.443 288 H N 5.882 124.731 119.070 -0.368 0.000 2.556 288 H HA 0.363 4.919 4.556 0.000 0.000 0.310 288 H C 1.193 176.073 175.328 -0.747 0.000 1.057 288 H CA -0.115 55.728 56.048 -0.343 0.000 1.264 288 H CB 0.932 30.678 29.762 -0.028 0.000 1.404 288 H HN 0.868 nan 8.280 nan 0.000 0.462 289 R N 3.769 123.791 120.500 -0.796 0.000 2.070 289 R HA -0.145 4.195 4.340 0.000 0.000 0.233 289 R C 1.867 178.028 176.300 -0.232 0.000 1.137 289 R CA 1.687 57.495 56.100 -0.486 0.000 0.945 289 R CB -0.387 29.779 30.300 -0.223 0.000 0.845 289 R HN 0.696 nan 8.270 nan 0.000 0.430 290 A N 1.040 123.738 122.820 -0.203 0.000 1.883 290 A HA -0.137 4.183 4.320 0.000 0.000 0.217 290 A C 2.177 179.838 177.584 0.127 0.000 1.186 290 A CA 1.484 53.536 52.037 0.025 0.000 0.624 290 A CB -0.537 18.526 19.000 0.105 0.000 0.822 290 A HN 0.407 nan 8.150 nan 0.000 0.444 291 L N -1.443 119.975 121.223 0.325 0.000 2.509 291 L HA 0.023 4.363 4.340 0.000 0.000 0.222 291 L C 0.526 177.426 176.870 0.050 0.000 1.123 291 L CA 0.547 55.466 54.840 0.133 0.000 0.856 291 L CB -0.364 41.712 42.059 0.028 0.000 0.985 291 L HN 0.463 nan 8.230 nan 0.000 0.456 292 D N 1.485 121.879 120.400 -0.010 0.000 2.697 292 D HA -0.204 4.436 4.640 0.000 0.000 0.238 292 D C 0.043 176.377 176.300 0.056 0.000 1.152 292 D CA 0.674 54.684 54.000 0.017 0.000 0.666 292 D CB -0.273 40.585 40.800 0.097 0.000 1.037 292 D HN 0.297 nan 8.370 nan 0.000 0.423 293 R N 0.222 120.712 120.500 -0.015 0.000 2.740 293 R HA 0.738 5.078 4.340 0.000 0.000 0.282 293 R C -0.101 176.225 176.300 0.044 0.000 0.969 293 R CA -1.018 55.061 56.100 -0.034 0.000 0.918 293 R CB 1.557 31.762 30.300 -0.159 0.000 1.175 293 R HN 0.123 nan 8.270 nan 0.000 0.464 294 I N 2.378 122.915 120.570 -0.055 0.000 2.441 294 I HA 0.350 4.520 4.170 0.000 0.000 0.295 294 I C -1.062 174.939 176.117 -0.193 0.000 0.994 294 I CA -0.833 60.509 61.300 0.070 0.000 1.144 294 I CB 1.239 39.300 38.000 0.102 0.000 1.314 294 I HN 0.412 nan 8.210 nan 0.000 0.445 295 Y N 6.182 126.545 120.300 0.106 0.000 2.364 295 Y HA 0.639 5.189 4.550 0.000 0.000 0.340 295 Y C -0.580 175.374 175.900 0.089 0.000 0.975 295 Y CA -0.910 57.236 58.100 0.077 0.000 1.089 295 Y CB 1.743 40.263 38.460 0.100 0.000 1.192 295 Y HN 0.327 nan 8.280 nan 0.000 0.454 296 L N 3.943 125.275 121.223 0.181 0.000 2.410 296 L HA 0.552 4.892 4.340 0.000 0.000 0.270 296 L C -1.430 175.541 176.870 0.168 0.000 0.983 296 L CA -0.636 54.299 54.840 0.159 0.000 0.822 296 L CB 1.620 43.744 42.059 0.108 0.000 1.285 296 L HN 0.648 nan 8.230 nan 0.000 0.409 297 L N 5.959 127.288 121.223 0.177 0.000 2.369 297 L HA 0.519 4.859 4.340 0.000 0.000 0.279 297 L C -0.296 176.696 176.870 0.203 0.000 1.108 297 L CA -0.276 54.677 54.840 0.188 0.000 0.852 297 L CB 0.851 43.010 42.059 0.166 0.000 1.169 297 L HN 0.614 nan 8.230 nan 0.000 0.452 298 V N 0.521 120.598 119.914 0.271 0.000 3.160 298 V HA 0.793 4.914 4.120 0.000 0.000 0.310 298 V C -1.083 175.247 176.094 0.392 0.000 1.181 298 V CA -0.640 61.849 62.300 0.315 0.000 1.047 298 V CB 2.494 34.530 31.823 0.355 0.000 1.068 298 V HN 0.698 nan 8.190 nan 0.000 0.441 299 D N -0.448 120.080 120.400 0.215 0.000 2.764 299 D HA 0.236 4.876 4.640 0.000 0.000 0.293 299 D C -1.509 174.424 176.300 -0.612 0.000 1.287 299 D CA -0.470 53.404 54.000 -0.210 0.000 0.768 299 D CB 2.124 42.927 40.800 0.006 0.000 1.288 299 D HN 0.805 nan 8.370 nan 0.000 0.426 300 Q N 0.941 120.160 119.800 -0.969 0.000 2.279 300 Q HA 0.532 4.872 4.340 0.000 0.000 0.256 300 Q C -0.271 175.526 176.000 -0.338 0.000 0.937 300 Q CA -0.101 55.234 55.803 -0.780 0.000 0.933 300 Q CB 1.467 29.717 28.738 -0.813 0.000 1.189 300 Q HN 0.307 nan 8.270 nan 0.000 0.417 301 R N 0.127 120.503 120.500 -0.206 0.000 2.692 301 R HA 0.369 4.710 4.340 0.000 0.000 0.269 301 R C -1.583 174.677 176.300 -0.067 0.000 1.030 301 R CA -1.042 54.995 56.100 -0.105 0.000 0.882 301 R CB 0.729 30.990 30.300 -0.065 0.000 1.250 301 R HN 0.457 nan 8.270 nan 0.000 0.465 302 D N 0.282 120.663 120.400 -0.032 0.000 2.357 302 D HA -0.052 4.588 4.640 0.000 0.000 0.242 302 D C 0.908 177.181 176.300 -0.046 0.000 1.153 302 D CA -0.096 53.896 54.000 -0.014 0.000 0.918 302 D CB 1.241 42.065 40.800 0.040 0.000 1.181 302 D HN 0.716 nan 8.370 nan 0.000 0.435 303 E N 1.620 121.745 120.200 -0.124 0.000 2.171 303 E HA -0.194 4.156 4.350 0.000 0.000 0.197 303 E C 0.358 176.681 176.600 -0.461 0.000 0.997 303 E CA 1.060 57.252 56.400 -0.346 0.000 0.810 303 E CB -0.033 29.360 29.700 -0.511 0.000 0.738 303 E HN 0.678 nan 8.360 nan 0.000 0.467 304 W N 0.318 121.689 121.300 0.117 0.000 3.015 304 W HA 0.293 4.953 4.660 0.000 0.000 0.429 304 W C 0.392 176.991 176.519 0.135 0.000 0.976 304 W CA -0.820 56.638 57.345 0.188 0.000 2.086 304 W CB 0.794 30.337 29.460 0.139 0.000 1.125 304 W HN -0.187 nan 8.180 nan 0.000 0.721 305 R N 0.981 121.603 120.500 0.204 0.000 2.767 305 R HA 0.065 4.405 4.340 0.000 0.000 0.377 305 R C 1.279 177.583 176.300 0.006 0.000 1.151 305 R CA -0.054 56.085 56.100 0.066 0.000 1.046 305 R CB -0.456 29.871 30.300 0.046 0.000 1.404 305 R HN 0.473 nan 8.270 nan 0.000 0.580 306 H N -0.637 118.401 119.070 -0.054 0.000 2.561 306 H HA 0.075 4.631 4.556 0.000 0.000 0.278 306 H C 0.383 175.707 175.328 -0.007 0.000 1.014 306 H CA 0.454 56.428 56.048 -0.123 0.000 1.211 306 H CB 0.297 29.809 29.762 -0.417 0.000 1.365 306 H HN 0.054 nan 8.280 nan 0.000 0.594 307 K N 1.471 121.760 120.400 -0.185 0.000 2.373 307 K HA 0.081 4.401 4.320 0.000 0.000 0.202 307 K C 0.427 177.060 176.600 0.054 0.000 1.025 307 K CA 0.243 56.535 56.287 0.008 0.000 1.115 307 K CB 0.865 33.383 32.500 0.030 0.000 0.858 307 K HN 0.332 nan 8.250 nan 0.000 0.525 308 T N -1.079 113.488 114.554 0.022 0.000 2.849 308 T HA 0.500 4.850 4.350 0.000 0.000 0.284 308 T C 0.535 175.268 174.700 0.056 0.000 1.004 308 T CA -0.958 61.161 62.100 0.032 0.000 1.021 308 T CB 1.539 70.416 68.868 0.016 0.000 1.013 308 T HN 0.094 nan 8.240 nan 0.000 0.527 309 A N 1.788 124.639 122.820 0.052 0.000 2.425 309 A HA 0.545 4.865 4.320 0.000 0.000 0.242 309 A C 0.530 178.153 177.584 0.065 0.000 1.077 309 A CA -0.544 51.532 52.037 0.065 0.000 0.781 309 A CB -0.198 18.836 19.000 0.056 0.000 1.020 309 A HN 0.862 nan 8.150 nan 0.000 0.494 310 S N -0.508 115.243 115.700 0.085 0.000 2.600 310 S HA 0.553 5.023 4.470 0.000 0.000 0.300 310 S C 0.513 175.162 174.600 0.081 0.000 1.087 310 S CA -0.715 57.551 58.200 0.109 0.000 0.965 310 S CB 1.781 65.076 63.200 0.159 0.000 1.089 310 S HN 0.644 nan 8.310 nan 0.000 0.496 311 R N -0.107 120.437 120.500 0.073 0.000 2.437 311 R HA 0.333 4.673 4.340 0.000 0.000 0.257 311 R C -1.000 175.041 176.300 -0.432 0.000 0.927 311 R CA 0.283 56.262 56.100 -0.201 0.000 1.078 311 R CB 0.302 30.381 30.300 -0.369 0.000 1.161 311 R HN 0.414 nan 8.270 nan 0.000 0.529 312 F N -0.787 119.250 119.950 0.146 0.000 2.603 312 F HA 0.517 5.044 4.527 0.000 0.000 0.317 312 F C -0.251 175.649 175.800 0.166 0.000 1.066 312 F CA -1.342 56.774 58.000 0.194 0.000 0.941 312 F CB 1.775 40.978 39.000 0.338 0.000 1.291 312 F HN -0.443 nan 8.300 nan 0.000 0.472 313 V N 2.605 122.712 119.914 0.321 0.000 2.525 313 V HA 0.555 4.675 4.120 0.000 0.000 0.299 313 V C -0.867 175.247 176.094 0.032 0.000 1.034 313 V CA -0.915 61.507 62.300 0.204 0.000 0.863 313 V CB 1.974 33.947 31.823 0.250 0.000 0.999 313 V HN 0.650 nan 8.190 nan 0.000 0.423 314 V N 3.597 123.506 119.914 -0.008 0.000 2.612 314 V HA 0.848 4.968 4.120 0.000 0.000 0.301 314 V C -0.384 175.579 176.094 -0.219 0.000 1.046 314 V CA -0.642 61.562 62.300 -0.159 0.000 0.946 314 V CB 1.674 33.423 31.823 -0.124 0.000 1.003 314 V HN 0.485 nan 8.190 nan 0.000 0.459 315 V N 5.656 125.353 119.914 -0.361 0.000 2.487 315 V HA 0.695 4.815 4.120 0.000 0.000 0.298 315 V C -0.193 175.706 176.094 -0.325 0.000 1.028 315 V CA -0.405 61.627 62.300 -0.448 0.000 0.860 315 V CB 1.187 32.675 31.823 -0.560 0.000 0.991 315 V HN 1.040 nan 8.190 nan 0.000 0.427 316 L N 0.441 121.493 121.223 -0.285 0.000 2.376 316 L HA 0.758 5.099 4.340 0.000 0.000 0.258 316 L C -0.479 176.306 176.870 -0.141 0.000 1.013 316 L CA -0.735 53.997 54.840 -0.180 0.000 0.822 316 L CB 2.080 44.064 42.059 -0.125 0.000 1.388 316 L HN 0.495 nan 8.230 nan 0.000 0.413 317 D N 1.210 121.554 120.400 -0.094 0.000 2.371 317 D HA 0.226 4.866 4.640 0.000 0.000 0.256 317 D C 0.895 177.186 176.300 -0.016 0.000 1.193 317 D CA 0.474 54.443 54.000 -0.051 0.000 0.881 317 D CB 2.213 42.988 40.800 -0.042 0.000 1.143 317 D HN 0.813 nan 8.370 nan 0.000 0.473 318 A N 4.867 127.707 122.820 0.033 0.000 2.067 318 A HA -0.152 4.168 4.320 0.000 0.000 0.219 318 A C 2.025 179.630 177.584 0.034 0.000 1.158 318 A CA 1.092 53.168 52.037 0.065 0.000 0.661 318 A CB -0.122 18.992 19.000 0.190 0.000 0.801 318 A HN 0.666 nan 8.150 nan 0.000 0.452 319 K N -0.672 119.743 120.400 0.026 0.000 2.137 319 K HA -0.081 4.239 4.320 0.000 0.000 0.202 319 K C 1.929 178.528 176.600 -0.002 0.000 1.052 319 K CA 1.692 57.987 56.287 0.013 0.000 0.961 319 K CB -0.020 32.488 32.500 0.014 0.000 0.741 319 K HN 0.584 nan 8.250 nan 0.000 0.452 320 T N -4.590 109.958 114.554 -0.010 0.000 3.000 320 T HA 0.237 4.587 4.350 0.000 0.000 0.248 320 T C 1.274 175.957 174.700 -0.028 0.000 1.034 320 T CA 0.580 62.669 62.100 -0.019 0.000 1.060 320 T CB 0.760 69.615 68.868 -0.022 0.000 0.983 320 T HN 0.312 nan 8.240 nan 0.000 0.482 321 G N 1.570 110.351 108.800 -0.033 0.000 2.175 321 G HA2 -0.247 3.713 3.960 0.000 0.000 0.244 321 G HA3 -0.247 3.713 3.960 0.000 0.000 0.244 321 G C -0.166 174.699 174.900 -0.058 0.000 0.982 321 G CA 0.184 45.257 45.100 -0.044 0.000 0.641 321 G HN 0.919 nan 8.290 nan 0.000 0.527 322 E N 0.455 120.622 120.200 -0.057 0.000 2.376 322 E HA 0.394 4.744 4.350 0.000 0.000 0.266 322 E C 0.808 177.355 176.600 -0.088 0.000 1.009 322 E CA -0.698 55.663 56.400 -0.066 0.000 0.902 322 E CB 0.342 30.009 29.700 -0.056 0.000 0.972 322 E HN 0.316 nan 8.360 nan 0.000 0.439 323 R N 4.458 124.899 120.500 -0.099 0.000 2.370 323 R HA 0.055 4.395 4.340 0.000 0.000 0.309 323 R C 0.068 176.292 176.300 -0.126 0.000 1.059 323 R CA 0.466 56.489 56.100 -0.128 0.000 0.981 323 R CB 0.149 30.368 30.300 -0.134 0.000 0.972 323 R HN 0.744 nan 8.270 nan 0.000 0.437 324 L N 2.473 123.603 121.223 -0.155 0.000 2.357 324 L HA 0.452 4.792 4.340 0.000 0.000 0.211 324 L C 0.544 177.322 176.870 -0.154 0.000 1.075 324 L CA 0.511 55.268 54.840 -0.137 0.000 0.830 324 L CB 0.018 41.992 42.059 -0.142 0.000 0.996 324 L HN 0.781 nan 8.230 nan 0.000 0.467 325 A N 0.002 122.675 122.820 -0.246 0.000 2.566 325 A HA 0.590 4.910 4.320 0.000 0.000 0.290 325 A C -1.466 175.850 177.584 -0.447 0.000 1.071 325 A CA -0.553 51.295 52.037 -0.315 0.000 0.658 325 A CB 1.491 20.266 19.000 -0.375 0.000 1.285 325 A HN -0.050 nan 8.150 nan 0.000 0.427 326 K N 1.104 121.271 120.400 -0.390 0.000 2.687 326 K HA 0.591 4.911 4.320 0.000 0.000 0.249 326 K C -1.928 174.650 176.600 -0.036 0.000 0.994 326 K CA -0.367 55.760 56.287 -0.266 0.000 0.913 326 K CB 0.579 32.989 32.500 -0.151 0.000 1.202 326 K HN 0.450 nan 8.250 nan 0.000 0.460 327 F N 1.665 121.688 119.950 0.123 0.000 2.399 327 F HA 0.347 4.874 4.527 0.000 0.000 0.334 327 F C 0.640 176.519 175.800 0.132 0.000 1.097 327 F CA -0.919 57.145 58.000 0.106 0.000 1.076 327 F CB 1.263 40.295 39.000 0.052 0.000 1.162 327 F HN 0.404 nan 8.300 nan 0.000 0.495 328 E N 3.049 123.407 120.200 0.262 0.000 2.046 328 E HA 0.164 4.515 4.350 0.000 0.000 0.279 328 E C 0.501 177.047 176.600 -0.090 0.000 0.989 328 E CA -0.365 56.016 56.400 -0.031 0.000 0.798 328 E CB 0.755 30.463 29.700 0.013 0.000 1.086 328 E HN 0.520 nan 8.360 nan 0.000 0.399 329 M N 1.684 121.170 119.600 -0.190 0.000 2.296 329 M HA 0.023 4.503 4.480 0.000 0.000 0.265 329 M C 1.523 177.737 176.300 -0.144 0.000 1.064 329 M CA 1.165 56.388 55.300 -0.129 0.000 1.109 329 M CB -0.894 31.624 32.600 -0.138 0.000 1.396 329 M HN 0.821 nan 8.290 nan 0.000 0.430 330 G N 0.454 109.073 108.800 -0.300 0.000 2.162 330 G HA2 -0.259 3.701 3.960 0.000 0.000 0.260 330 G HA3 -0.259 3.701 3.960 0.000 0.000 0.260 330 G C -0.047 174.397 174.900 -0.760 0.000 0.976 330 G CA 0.834 45.660 45.100 -0.457 0.000 0.655 330 G HN 0.575 nan 8.290 nan 0.000 0.533 331 H N -1.177 117.737 119.070 -0.260 0.000 3.017 331 H HA 0.512 5.068 4.556 0.000 0.000 0.346 331 H C -0.914 174.330 175.328 -0.140 0.000 1.286 331 H CA -1.002 54.896 56.048 -0.250 0.000 1.120 331 H CB 0.901 30.354 29.762 -0.515 0.000 1.860 331 H HN 0.043 nan 8.280 nan 0.000 0.542 332 E N 2.123 122.371 120.200 0.081 0.000 2.029 332 E HA 0.110 4.460 4.350 0.000 0.000 0.276 332 E C -0.210 176.447 176.600 0.096 0.000 1.163 332 E CA -0.046 56.390 56.400 0.060 0.000 0.909 332 E CB 0.387 30.122 29.700 0.059 0.000 1.046 332 E HN 0.261 nan 8.360 nan 0.000 0.406 333 I N 2.780 123.401 120.570 0.084 0.000 2.359 333 I HA 0.122 4.292 4.170 0.000 0.000 0.294 333 I C 1.151 177.332 176.117 0.107 0.000 0.987 333 I CA -0.254 61.113 61.300 0.111 0.000 1.225 333 I CB 1.217 39.280 38.000 0.105 0.000 1.366 333 I HN 0.354 nan 8.210 nan 0.000 0.466 334 D N 2.898 123.364 120.400 0.109 0.000 2.394 334 D HA 0.080 4.720 4.640 0.000 0.000 0.226 334 D C 0.080 176.472 176.300 0.154 0.000 0.990 334 D CA 0.794 54.865 54.000 0.117 0.000 0.902 334 D CB 0.993 41.837 40.800 0.074 0.000 1.038 334 D HN 0.406 nan 8.370 nan 0.000 0.499 335 S N 0.046 115.833 115.700 0.144 0.000 2.546 335 S HA 0.609 5.079 4.470 0.000 0.000 0.274 335 S C -0.309 174.382 174.600 0.152 0.000 1.121 335 S CA -0.779 57.517 58.200 0.159 0.000 0.887 335 S CB 2.512 65.822 63.200 0.184 0.000 1.094 335 S HN 0.171 nan 8.310 nan 0.000 0.474 336 I N -0.030 120.634 120.570 0.157 0.000 3.042 336 I HA 0.821 4.991 4.170 0.000 0.000 0.310 336 I C -0.844 175.374 176.117 0.169 0.000 1.117 336 I CA -0.664 60.731 61.300 0.159 0.000 1.003 336 I CB 2.335 40.420 38.000 0.140 0.000 1.228 336 I HN 0.526 nan 8.210 nan 0.000 0.443 337 N N 0.880 119.684 118.700 0.175 0.000 3.227 337 N HA 0.684 5.424 4.740 0.000 0.000 0.241 337 N C -1.799 173.793 175.510 0.137 0.000 1.480 337 N CA -0.210 52.950 53.050 0.184 0.000 0.886 337 N CB 2.540 41.168 38.487 0.236 0.000 1.406 337 N HN 0.830 nan 8.380 nan 0.000 0.514 338 V N -1.400 118.577 119.914 0.105 0.000 3.078 338 V HA 0.808 4.928 4.120 0.000 0.000 0.311 338 V C 0.088 176.252 176.094 0.117 0.000 1.138 338 V CA -0.810 61.470 62.300 -0.032 0.000 1.007 338 V CB 1.157 32.866 31.823 -0.190 0.000 1.045 338 V HN 0.766 nan 8.190 nan 0.000 0.432 339 S N 1.532 117.266 115.700 0.057 0.000 2.601 339 S HA 0.397 4.867 4.470 0.000 0.000 0.271 339 S C 0.195 174.866 174.600 0.119 0.000 1.305 339 S CA -0.575 57.713 58.200 0.147 0.000 1.022 339 S CB 1.297 64.566 63.200 0.116 0.000 0.940 339 S HN 0.798 nan 8.310 nan 0.000 0.525 340 Q N 1.369 121.201 119.800 0.052 0.000 2.212 340 Q HA 0.158 4.498 4.340 0.000 0.000 0.213 340 Q C -0.333 175.665 176.000 -0.004 0.000 0.874 340 Q CA -0.044 55.700 55.803 -0.099 0.000 0.965 340 Q CB -0.407 28.246 28.738 -0.141 0.000 1.074 340 Q HN 0.864 nan 8.270 nan 0.000 0.473 341 D N -1.071 119.403 120.400 0.122 0.000 2.466 341 D HA 0.018 4.658 4.640 0.000 0.000 0.262 341 D C 0.963 177.364 176.300 0.168 0.000 1.177 341 D CA -0.616 53.449 54.000 0.108 0.000 1.035 341 D CB 0.943 41.784 40.800 0.069 0.000 1.105 341 D HN -0.094 nan 8.370 nan 0.000 0.551 342 E N -0.530 119.729 120.200 0.098 0.000 2.035 342 E HA -0.276 4.074 4.350 0.000 0.000 0.204 342 E C 0.229 176.845 176.600 0.026 0.000 1.025 342 E CA 1.423 57.866 56.400 0.073 0.000 0.835 342 E CB 0.096 29.820 29.700 0.039 0.000 0.764 342 E HN 0.207 nan 8.360 nan 0.000 0.457 343 K N 1.619 122.023 120.400 0.007 0.000 2.291 343 K HA 0.191 4.511 4.320 0.000 0.000 0.242 343 K C -2.512 174.064 176.600 -0.041 0.000 1.098 343 K CA -2.652 53.617 56.287 -0.030 0.000 1.036 343 K CB 1.173 33.660 32.500 -0.022 0.000 1.655 343 K HN 0.027 nan 8.250 nan 0.000 0.432 344 P HA -0.041 nan 4.420 nan 0.000 0.267 344 P C -0.764 176.451 177.300 -0.142 0.000 1.200 344 P CA -0.415 62.636 63.100 -0.083 0.000 0.772 344 P CB 0.812 32.417 31.700 -0.159 0.000 0.855 345 L N 3.134 124.227 121.223 -0.217 0.000 2.322 345 L HA 0.378 4.718 4.340 0.000 0.000 0.279 345 L C 0.102 176.659 176.870 -0.520 0.000 1.036 345 L CA -0.625 54.002 54.840 -0.354 0.000 0.807 345 L CB 0.970 42.752 42.059 -0.463 0.000 1.226 345 L HN 0.306 nan 8.230 nan 0.000 0.433 346 L N 4.094 125.079 121.223 -0.397 0.000 2.280 346 L HA 0.466 4.807 4.340 0.000 0.000 0.287 346 L C -1.287 175.428 176.870 -0.257 0.000 1.023 346 L CA -0.065 54.579 54.840 -0.327 0.000 0.819 346 L CB 0.600 42.566 42.059 -0.156 0.000 1.212 346 L HN 0.326 nan 8.230 nan 0.000 0.420 347 Y N 4.275 124.588 120.300 0.021 0.000 2.327 347 Y HA 0.672 5.222 4.550 0.000 0.000 0.336 347 Y C 0.450 176.394 175.900 0.074 0.000 1.035 347 Y CA -0.609 57.527 58.100 0.060 0.000 1.165 347 Y CB 1.475 39.958 38.460 0.038 0.000 1.181 347 Y HN 0.728 nan 8.280 nan 0.000 0.494 348 A N 4.709 127.698 122.820 0.281 0.000 2.340 348 A HA 0.607 4.928 4.320 0.000 0.000 0.297 348 A C -1.585 176.139 177.584 0.234 0.000 1.195 348 A CA -0.637 51.533 52.037 0.221 0.000 0.769 348 A CB 0.439 19.545 19.000 0.176 0.000 1.163 348 A HN 0.682 nan 8.150 nan 0.000 0.472 349 L N 2.799 124.118 121.223 0.159 0.000 2.282 349 L HA 0.672 5.012 4.340 0.000 0.000 0.288 349 L C 0.256 177.183 176.870 0.095 0.000 1.033 349 L CA 0.205 55.096 54.840 0.085 0.000 0.807 349 L CB 1.761 43.844 42.059 0.039 0.000 1.209 349 L HN 0.513 nan 8.230 nan 0.000 0.423 350 S N 2.499 118.243 115.700 0.074 0.000 2.448 350 S HA 0.325 4.795 4.470 0.000 0.000 0.320 350 S C 0.925 175.524 174.600 -0.002 0.000 1.071 350 S CA -0.336 57.917 58.200 0.088 0.000 1.113 350 S CB 0.879 64.200 63.200 0.202 0.000 0.972 350 S HN 0.851 nan 8.310 nan 0.000 0.465 351 T N 4.416 118.962 114.554 -0.014 0.000 2.821 351 T HA 0.003 4.353 4.350 0.000 0.000 0.267 351 T C 1.997 176.685 174.700 -0.020 0.000 1.046 351 T CA 1.462 63.526 62.100 -0.061 0.000 1.139 351 T CB -0.575 68.238 68.868 -0.092 0.000 0.871 351 T HN 0.757 nan 8.240 nan 0.000 0.454 352 G N 1.412 110.221 108.800 0.015 0.000 2.408 352 G HA2 -0.158 3.802 3.960 0.000 0.000 0.217 352 G HA3 -0.158 3.802 3.960 0.000 0.000 0.217 352 G C 1.179 176.092 174.900 0.022 0.000 1.150 352 G CA 0.647 45.765 45.100 0.030 0.000 0.776 352 G HN 0.381 nan 8.290 nan 0.000 0.542 353 D N 0.415 120.829 120.400 0.024 0.000 2.347 353 D HA 0.065 4.705 4.640 0.000 0.000 0.213 353 D C 0.818 177.074 176.300 -0.073 0.000 0.985 353 D CA 0.177 54.181 54.000 0.007 0.000 0.879 353 D CB 0.038 40.880 40.800 0.070 0.000 0.919 353 D HN 0.269 nan 8.370 nan 0.000 0.526 354 K N -0.291 120.051 120.400 -0.095 0.000 3.035 354 K HA -0.137 4.183 4.320 0.000 0.000 0.262 354 K C -0.582 175.867 176.600 -0.251 0.000 1.024 354 K CA 0.614 56.800 56.287 -0.169 0.000 0.748 354 K CB -1.936 30.469 32.500 -0.159 0.000 1.247 354 K HN 0.058 nan 8.250 nan 0.000 0.482 355 T N 0.434 114.823 114.554 -0.275 0.000 2.893 355 T HA 0.529 4.879 4.350 0.000 0.000 0.293 355 T C -1.163 173.222 174.700 -0.525 0.000 1.027 355 T CA -0.852 60.974 62.100 -0.457 0.000 0.988 355 T CB 1.709 70.203 68.868 -0.624 0.000 1.043 355 T HN 0.197 nan 8.240 nan 0.000 0.461 356 L N 3.742 124.660 121.223 -0.508 0.000 2.265 356 L HA 0.553 4.893 4.340 0.000 0.000 0.289 356 L C -1.555 175.073 176.870 -0.402 0.000 1.033 356 L CA -0.449 54.191 54.840 -0.335 0.000 0.814 356 L CB 0.072 42.004 42.059 -0.212 0.000 1.203 356 L HN 0.607 nan 8.230 nan 0.000 0.423 357 Y N 5.595 125.898 120.300 0.004 0.000 2.326 357 Y HA 0.507 5.057 4.550 0.000 0.000 0.337 357 Y C 0.082 176.081 175.900 0.165 0.000 1.023 357 Y CA -0.420 57.698 58.100 0.030 0.000 1.143 357 Y CB 1.108 39.619 38.460 0.084 0.000 1.183 357 Y HN 0.416 nan 8.280 nan 0.000 0.485 358 I N 4.661 125.339 120.570 0.180 0.000 2.330 358 I HA 0.282 4.452 4.170 0.000 0.000 0.289 358 I C -0.177 175.941 176.117 0.002 0.000 1.001 358 I CA -0.382 61.007 61.300 0.148 0.000 1.193 358 I CB 0.566 38.631 38.000 0.107 0.000 1.345 358 I HN 0.632 nan 8.210 nan 0.000 0.461 359 H N 3.175 122.207 119.070 -0.063 0.000 2.710 359 H HA 0.257 4.813 4.556 0.000 0.000 0.361 359 H C -1.122 174.103 175.328 -0.171 0.000 1.175 359 H CA -0.850 55.132 56.048 -0.110 0.000 1.206 359 H CB 2.496 32.185 29.762 -0.122 0.000 1.750 359 H HN 0.494 nan 8.280 nan 0.000 0.553 360 D N 0.158 120.527 120.400 -0.053 0.000 2.317 360 D HA 0.204 4.844 4.640 0.000 0.000 0.252 360 D C 0.777 177.002 176.300 -0.125 0.000 1.174 360 D CA -0.220 53.720 54.000 -0.100 0.000 0.866 360 D CB 1.115 41.854 40.800 -0.102 0.000 1.127 360 D HN 0.587 nan 8.370 nan 0.000 0.467 361 A N 3.643 126.410 122.820 -0.088 0.000 2.121 361 A HA -0.126 4.194 4.320 0.000 0.000 0.218 361 A C 1.854 179.540 177.584 0.171 0.000 1.154 361 A CA 1.319 53.367 52.037 0.017 0.000 0.679 361 A CB -0.412 18.550 19.000 -0.064 0.000 0.795 361 A HN 0.695 nan 8.150 nan 0.000 0.458 362 E N 0.394 120.626 120.200 0.054 0.000 2.030 362 E HA -0.096 4.254 4.350 0.000 0.000 0.189 362 E C 2.247 178.914 176.600 0.112 0.000 0.974 362 E CA 1.738 58.201 56.400 0.106 0.000 0.807 362 E CB -0.179 29.538 29.700 0.028 0.000 0.771 362 E HN 0.576 nan 8.360 nan 0.000 0.451 363 S N -1.580 114.079 115.700 -0.069 0.000 2.439 363 S HA 0.227 4.697 4.470 0.000 0.000 0.224 363 S C 1.765 176.041 174.600 -0.539 0.000 1.029 363 S CA 0.584 58.708 58.200 -0.128 0.000 0.946 363 S CB 0.295 63.440 63.200 -0.093 0.000 0.797 363 S HN 0.591 nan 8.310 nan 0.000 0.504 364 G N 1.852 110.144 108.800 -0.846 0.000 2.175 364 G HA2 -0.276 3.684 3.960 0.000 0.000 0.244 364 G HA3 -0.276 3.684 3.960 0.000 0.000 0.244 364 G C -0.168 174.519 174.900 -0.355 0.000 0.982 364 G CA 0.160 44.489 45.100 -1.285 0.000 0.641 364 G HN 0.952 nan 8.290 nan 0.000 0.527 365 E N 0.674 120.751 120.200 -0.205 0.000 2.354 365 E HA 0.492 4.842 4.350 0.000 0.000 0.269 365 E C 0.119 176.631 176.600 -0.145 0.000 1.036 365 E CA -0.508 55.836 56.400 -0.094 0.000 0.876 365 E CB 1.076 30.718 29.700 -0.097 0.000 1.009 365 E HN 0.377 nan 8.360 nan 0.000 0.416 366 E N 2.705 122.730 120.200 -0.290 0.000 2.324 366 E HA -0.020 4.330 4.350 0.000 0.000 0.271 366 E C -0.064 176.371 176.600 -0.275 0.000 1.028 366 E CA -0.387 55.647 56.400 -0.611 0.000 0.890 366 E CB 0.616 30.030 29.700 -0.476 0.000 1.004 366 E HN 0.563 nan 8.360 nan 0.000 0.431 367 L N 4.903 125.987 121.223 -0.232 0.000 2.269 367 L HA 0.184 4.524 4.340 0.000 0.000 0.200 367 L C 0.894 177.713 176.870 -0.085 0.000 1.069 367 L CA 1.145 55.913 54.840 -0.121 0.000 0.804 367 L CB -0.413 41.592 42.059 -0.091 0.000 0.987 367 L HN 0.624 nan 8.230 nan 0.000 0.468 368 R N -1.809 118.644 120.500 -0.079 0.000 2.756 368 R HA 0.656 4.996 4.340 0.000 0.000 0.273 368 R C -1.239 175.037 176.300 -0.040 0.000 1.030 368 R CA -0.436 55.635 56.100 -0.048 0.000 0.887 368 R CB 1.413 31.689 30.300 -0.040 0.000 1.274 368 R HN -0.064 nan 8.270 nan 0.000 0.461 369 S N -0.342 115.318 115.700 -0.067 0.000 2.579 369 S HA 0.674 5.144 4.470 0.000 0.000 0.272 369 S C -1.144 173.346 174.600 -0.183 0.000 1.141 369 S CA -0.770 57.335 58.200 -0.159 0.000 0.843 369 S CB 2.217 65.290 63.200 -0.212 0.000 1.122 369 S HN 0.417 nan 8.310 nan 0.000 0.468 370 V N 3.328 123.087 119.914 -0.258 0.000 2.443 370 V HA 0.509 4.629 4.120 0.000 0.000 0.293 370 V C -0.495 175.412 176.094 -0.312 0.000 1.021 370 V CA -0.722 61.437 62.300 -0.234 0.000 0.848 370 V CB 1.002 32.701 31.823 -0.206 0.000 0.998 370 V HN 1.046 nan 8.190 nan 0.000 0.424 371 N N 2.910 121.450 118.700 -0.267 0.000 2.681 371 N HA 0.334 5.074 4.740 0.000 0.000 0.311 371 N C 0.011 175.355 175.510 -0.278 0.000 1.303 371 N CA -0.892 51.992 53.050 -0.278 0.000 0.926 371 N CB 0.126 38.489 38.487 -0.206 0.000 1.136 371 N HN 0.553 nan 8.380 nan 0.000 0.592 372 Q N -1.171 118.482 119.800 -0.244 0.000 2.451 372 Q HA -0.144 4.196 4.340 0.000 0.000 0.305 372 Q C -0.816 174.954 176.000 -0.383 0.000 1.345 372 Q CA 0.327 55.988 55.803 -0.237 0.000 0.854 372 Q CB -1.887 26.757 28.738 -0.157 0.000 1.162 372 Q HN 0.469 nan 8.270 nan 0.000 0.440 373 L N 0.693 121.605 121.223 -0.518 0.000 2.536 373 L HA 0.364 4.704 4.340 0.000 0.000 0.242 373 L C 1.304 177.802 176.870 -0.619 0.000 1.280 373 L CA 0.406 54.669 54.840 -0.962 0.000 1.221 373 L CB -0.526 41.018 42.059 -0.858 0.000 1.449 373 L HN 0.612 nan 8.230 nan 0.000 0.405 374 G N 0.360 108.980 108.800 -0.300 0.000 2.542 374 G HA2 -0.273 3.688 3.960 0.000 0.000 0.235 374 G HA3 -0.273 3.688 3.960 0.000 0.000 0.235 374 G C 0.420 175.095 174.900 -0.374 0.000 1.286 374 G CA -0.095 44.915 45.100 -0.152 0.000 0.904 374 G HN 0.507 nan 8.290 nan 0.000 0.577 375 H N 0.536 119.598 119.070 -0.013 0.000 2.506 375 H HA 0.343 4.899 4.556 0.000 0.000 0.289 375 H C 1.792 177.048 175.328 -0.119 0.000 1.009 375 H CA 1.249 57.282 56.048 -0.026 0.000 1.303 375 H CB 0.985 30.759 29.762 0.020 0.000 1.453 375 H HN 1.200 nan 8.280 nan 0.000 0.526 376 G N 2.832 111.508 108.800 -0.207 0.000 4.379 376 G HA2 0.156 4.116 3.960 0.000 0.000 0.243 376 G HA3 0.156 4.116 3.960 0.000 0.000 0.243 376 G C -2.993 171.690 174.900 -0.361 0.000 1.009 376 G CA -0.777 44.031 45.100 -0.486 0.000 0.646 376 G HN -0.071 nan 8.290 nan 0.000 0.475 377 P HA 0.070 nan 4.420 nan 0.000 0.265 377 P C -0.189 177.000 177.300 -0.184 0.000 1.193 377 P CA 0.508 63.510 63.100 -0.164 0.000 0.765 377 P CB 1.953 33.556 31.700 -0.161 0.000 0.823 378 Q N 0.897 120.603 119.800 -0.157 0.000 2.237 378 Q HA 0.170 4.510 4.340 0.000 0.000 0.254 378 Q C -0.200 175.842 176.000 0.070 0.000 0.771 378 Q CA 0.116 55.816 55.803 -0.172 0.000 0.958 378 Q CB 1.015 29.436 28.738 -0.528 0.000 1.202 378 Q HN 0.254 nan 8.270 nan 0.000 0.492 379 V N 2.207 122.182 119.914 0.102 0.000 2.448 379 V HA 0.443 4.563 4.120 0.000 0.000 0.295 379 V C -0.512 175.650 176.094 0.114 0.000 1.025 379 V CA -0.524 61.884 62.300 0.180 0.000 0.859 379 V CB 1.738 33.688 31.823 0.212 0.000 0.988 379 V HN 0.146 nan 8.190 nan 0.000 0.431 380 I N 3.849 124.490 120.570 0.118 0.000 2.377 380 I HA 0.588 4.758 4.170 0.000 0.000 0.293 380 I C -0.053 176.116 176.117 0.087 0.000 0.987 380 I CA -0.100 61.243 61.300 0.073 0.000 1.185 380 I CB 2.046 40.087 38.000 0.069 0.000 1.341 380 I HN 0.532 nan 8.210 nan 0.000 0.455 381 T N 3.112 117.714 114.554 0.080 0.000 2.886 381 T HA 0.591 4.941 4.350 0.000 0.000 0.292 381 T C -0.279 174.500 174.700 0.131 0.000 1.012 381 T CA -0.732 61.413 62.100 0.075 0.000 0.982 381 T CB 1.896 70.759 68.868 -0.009 0.000 1.018 381 T HN 0.748 nan 8.240 nan 0.000 0.451 382 T N -0.652 113.974 114.554 0.121 0.000 2.906 382 T HA 0.856 5.206 4.350 0.000 0.000 0.295 382 T C -0.574 174.191 174.700 0.109 0.000 1.075 382 T CA -1.011 61.180 62.100 0.151 0.000 1.005 382 T CB 1.817 70.791 68.868 0.178 0.000 1.136 382 T HN 0.762 nan 8.240 nan 0.000 0.498 383 A N 1.058 123.943 122.820 0.109 0.000 2.312 383 A HA 0.631 4.951 4.320 0.000 0.000 0.328 383 A C -0.296 177.316 177.584 0.047 0.000 1.158 383 A CA -0.635 51.436 52.037 0.057 0.000 0.821 383 A CB 0.739 19.767 19.000 0.046 0.000 1.170 383 A HN 0.864 nan 8.150 nan 0.000 0.490 384 D N 2.820 123.234 120.400 0.024 0.000 2.499 384 D HA 0.362 5.002 4.640 0.000 0.000 0.225 384 D C 0.588 176.889 176.300 0.002 0.000 1.124 384 D CA -0.125 53.876 54.000 0.002 0.000 0.938 384 D CB 0.367 41.160 40.800 -0.013 0.000 1.014 384 D HN 0.473 nan 8.370 nan 0.000 0.517 385 M N 1.061 120.666 119.600 0.009 0.000 2.556 385 M HA 0.201 4.681 4.480 0.000 0.000 0.245 385 M C 1.329 177.633 176.300 0.008 0.000 1.128 385 M CA -0.094 55.213 55.300 0.011 0.000 1.069 385 M CB 0.608 33.220 32.600 0.020 0.000 1.469 385 M HN 0.201 nan 8.290 nan 0.000 0.494 386 G N 0.000 108.800 108.800 -0.001 0.000 5.446 386 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 386 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 386 G CA 0.000 45.099 45.100 -0.001 0.000 0.502 386 G HN 0.000 nan 8.290 nan 0.000 0.925