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 2rfq_1_A DATA FIRST_RESID 4 DATA SEQUENCE HDSHEVXQRL DALLPTLRER AQETEDLRRI PDDSXKALQE TGFFRLLQPE DATA SEQUENCE QWGGYQADPV LFYSAVRKIA SACGSTGWVS SIIGVHNWHL ALFSQQAQED DATA SEQUENCE VWGNDTDVRI SSSYAPXGAG QVVDGGYTVN GAWAWSSGCD HASWAVLGGP DATA SEQUENCE VIKDGRPVDF VSFLIPREDY RIDDVWNVVG LRGTGSNTVV VEDVFVPTHR DATA SEQUENCE VLSFKAXSNL TAPGLERNTA PVYKXPWGTI HPTTISAPIV GXAYGAYDAH DATA SEQUENCE VEHQGKRVRA AFAGEKAKDD PFAKVRIAEA SSDIDAAWRQ LSGNVADEYA DATA SEQUENCE LLVAGEEVPF ELRLRARRDQ VRATGRAISS IDKLFESSGA TALANGTPLQ DATA SEQUENCE RFWRDAHAGR VHAANDPERA YVXYGTGEFG LPITDTXV 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 4 H HA 0.000 nan 4.556 nan 0.000 0.296 4 H C 0.000 175.345 175.328 0.029 0.000 0.993 4 H CA 0.000 56.066 56.048 0.031 0.000 1.023 4 H CB 0.000 29.765 29.762 0.006 0.000 1.292 5 D N 0.155 120.614 120.400 0.098 0.000 2.371 5 D HA -0.102 4.538 4.640 -0.000 0.000 0.221 5 D C 1.795 178.128 176.300 0.054 0.000 0.986 5 D CA 1.149 55.180 54.000 0.052 0.000 0.899 5 D CB 0.033 40.840 40.800 0.011 0.000 0.902 5 D HN 0.316 nan 8.370 nan 0.000 0.530 6 S N -1.258 114.482 115.700 0.065 0.000 2.528 6 S HA -0.104 4.366 4.470 -0.000 0.000 0.219 6 S C 0.924 175.566 174.600 0.070 0.000 0.985 6 S CA -0.539 57.690 58.200 0.049 0.000 0.914 6 S CB -0.677 62.539 63.200 0.027 0.000 0.776 6 S HN 0.381 nan 8.310 nan 0.000 0.526 7 H N 3.066 122.148 119.070 0.021 0.000 2.897 7 H HA 0.029 4.585 4.556 -0.000 0.000 0.347 7 H C 1.471 176.791 175.328 -0.013 0.000 1.068 7 H CA 1.351 57.403 56.048 0.007 0.000 1.426 7 H CB 0.805 30.564 29.762 -0.006 0.000 1.410 7 H HN 0.627 nan 8.280 nan 0.000 0.597 8 E N 3.234 123.308 120.200 -0.210 0.000 2.118 8 E HA -0.096 4.254 4.350 -0.000 0.000 0.195 8 E C 0.725 177.377 176.600 0.086 0.000 0.992 8 E CA 0.675 57.047 56.400 -0.047 0.000 0.804 8 E CB -0.035 29.620 29.700 -0.074 0.000 0.741 8 E HN 0.199 nan 8.360 nan 0.000 0.458 12 R N 1.085 121.597 120.500 0.020 0.000 2.092 12 R HA 0.026 4.366 4.340 -0.000 0.000 0.231 12 R C 2.175 178.473 176.300 -0.004 0.000 1.119 12 R CA 1.220 57.330 56.100 0.018 0.000 0.970 12 R CB -0.099 30.224 30.300 0.039 0.000 0.864 12 R HN 0.152 nan 8.270 nan 0.000 0.440 13 L N 0.608 121.819 121.223 -0.021 0.000 2.046 13 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 13 L C 1.834 178.669 176.870 -0.058 0.000 1.077 13 L CA 1.122 55.925 54.840 -0.062 0.000 0.747 13 L CB -0.444 41.552 42.059 -0.105 0.000 0.896 13 L HN 0.145 nan 8.230 nan 0.000 0.432 14 D N 0.312 120.685 120.400 -0.044 0.000 2.116 14 D HA -0.215 4.425 4.640 -0.000 0.000 0.193 14 D C 2.192 178.478 176.300 -0.024 0.000 0.998 14 D CA 1.679 55.657 54.000 -0.038 0.000 0.836 14 D CB -0.029 40.754 40.800 -0.028 0.000 0.951 14 D HN 0.336 nan 8.370 nan 0.000 0.449 15 A N 0.164 122.975 122.820 -0.015 0.000 2.019 15 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 15 A C 2.088 179.668 177.584 -0.007 0.000 1.164 15 A CA 0.857 52.891 52.037 -0.006 0.000 0.644 15 A CB -0.362 18.639 19.000 0.002 0.000 0.805 15 A HN 0.257 nan 8.150 nan 0.000 0.449 16 L N -0.703 120.510 121.223 -0.017 0.000 2.416 16 L HA 0.189 4.529 4.340 -0.000 0.000 0.216 16 L C 1.981 178.838 176.870 -0.021 0.000 1.098 16 L CA 0.888 55.717 54.840 -0.018 0.000 0.840 16 L CB -0.353 41.688 42.059 -0.031 0.000 0.981 16 L HN 0.353 nan 8.230 nan 0.000 0.462 17 L N 0.299 121.506 121.223 -0.027 0.000 2.013 17 L HA -0.190 4.150 4.340 -0.000 0.000 0.212 17 L C -0.150 176.720 176.870 0.000 0.000 1.073 17 L CA 1.561 56.389 54.840 -0.020 0.000 0.753 17 L CB -2.186 39.859 42.059 -0.023 0.000 0.890 17 L HN 0.263 nan 8.230 nan 0.000 0.432 18 P HA -0.133 nan 4.420 nan 0.000 0.216 18 P C 1.640 178.947 177.300 0.012 0.000 1.150 18 P CA 1.406 64.513 63.100 0.012 0.000 0.837 18 P CB -0.078 31.628 31.700 0.011 0.000 0.786 19 T N -0.171 114.388 114.554 0.007 0.000 2.708 19 T HA -0.103 4.247 4.350 -0.000 0.000 0.266 19 T C 1.727 176.431 174.700 0.008 0.000 1.037 19 T CA 1.126 63.231 62.100 0.009 0.000 1.146 19 T CB -0.949 67.924 68.868 0.008 0.000 0.865 19 T HN 0.061 nan 8.240 nan 0.000 0.435 20 L N 0.403 121.628 121.223 0.002 0.000 2.042 20 L HA -0.125 4.215 4.340 -0.000 0.000 0.210 20 L C 2.924 179.799 176.870 0.009 0.000 1.076 20 L CA 1.496 56.337 54.840 0.002 0.000 0.749 20 L CB -0.601 41.453 42.059 -0.010 0.000 0.893 20 L HN 0.188 nan 8.230 nan 0.000 0.432 21 R N 0.067 120.578 120.500 0.018 0.000 2.073 21 R HA -0.207 4.133 4.340 -0.000 0.000 0.234 21 R C 2.235 178.540 176.300 0.007 0.000 1.134 21 R CA 1.599 57.712 56.100 0.022 0.000 0.952 21 R CB -0.344 29.982 30.300 0.044 0.000 0.850 21 R HN 0.411 nan 8.270 nan 0.000 0.433 22 E N 0.996 121.203 120.200 0.011 0.000 2.160 22 E HA -0.190 4.160 4.350 -0.000 0.000 0.195 22 E C 1.607 178.210 176.600 0.005 0.000 0.991 22 E CA 1.157 57.562 56.400 0.009 0.000 0.810 22 E CB 0.161 29.869 29.700 0.012 0.000 0.742 22 E HN 0.246 nan 8.360 nan 0.000 0.466 23 R N -0.505 119.998 120.500 0.006 0.000 2.317 23 R HA 0.177 4.517 4.340 -0.000 0.000 0.208 23 R C 2.063 178.364 176.300 0.001 0.000 0.914 23 R CA 0.390 56.495 56.100 0.009 0.000 1.060 23 R CB 0.258 30.568 30.300 0.017 0.000 1.015 23 R HN 0.110 nan 8.270 nan 0.000 0.498 24 A N 1.270 124.080 122.820 -0.016 0.000 1.908 24 A HA -0.279 4.041 4.320 -0.000 0.000 0.218 24 A C 2.128 179.690 177.584 -0.036 0.000 1.181 24 A CA 1.531 53.544 52.037 -0.040 0.000 0.627 24 A CB -0.284 18.659 19.000 -0.094 0.000 0.818 24 A HN 0.173 nan 8.150 nan 0.000 0.445 25 Q N -0.190 119.591 119.800 -0.031 0.000 2.079 25 Q HA -0.145 4.195 4.340 -0.000 0.000 0.200 25 Q C 1.940 177.938 176.000 -0.003 0.000 0.974 25 Q CA 2.129 57.918 55.803 -0.022 0.000 0.840 25 Q CB -0.358 28.369 28.738 -0.018 0.000 0.898 25 Q HN 0.766 nan 8.270 nan 0.000 0.430 26 E N -1.267 118.937 120.200 0.006 0.000 2.085 26 E HA -0.182 4.168 4.350 -0.000 0.000 0.194 26 E C 1.560 178.178 176.600 0.030 0.000 0.994 26 E CA 1.714 58.125 56.400 0.018 0.000 0.801 26 E CB -0.046 29.667 29.700 0.022 0.000 0.743 26 E HN 0.409 nan 8.360 nan 0.000 0.453 27 T N 0.800 115.373 114.554 0.031 0.000 2.720 27 T HA -0.169 4.181 4.350 -0.000 0.000 0.268 27 T C 1.561 176.295 174.700 0.057 0.000 1.037 27 T CA 1.433 63.564 62.100 0.052 0.000 1.144 27 T CB -0.212 68.684 68.868 0.048 0.000 0.864 27 T HN 0.271 nan 8.240 nan 0.000 0.444 28 E N 0.734 120.953 120.200 0.032 0.000 2.031 28 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 28 E C 2.119 178.739 176.600 0.033 0.000 0.994 28 E CA 1.255 57.673 56.400 0.030 0.000 0.800 28 E CB -0.156 29.541 29.700 -0.004 0.000 0.752 28 E HN 0.419 nan 8.360 nan 0.000 0.447 29 D N 0.523 120.937 120.400 0.022 0.000 2.144 29 D HA -0.131 4.509 4.640 -0.000 0.000 0.199 29 D C 1.917 178.237 176.300 0.033 0.000 0.984 29 D CA 0.891 54.903 54.000 0.020 0.000 0.834 29 D CB -0.094 40.714 40.800 0.014 0.000 0.955 29 D HN 0.178 nan 8.370 nan 0.000 0.465 30 L N -0.334 120.916 121.223 0.046 0.000 2.554 30 L HA 0.171 4.511 4.340 -0.000 0.000 0.226 30 L C 0.425 177.344 176.870 0.081 0.000 1.137 30 L CA 0.055 54.929 54.840 0.057 0.000 0.863 30 L CB -0.039 42.056 42.059 0.059 0.000 0.985 30 L HN -0.068 nan 8.230 nan 0.000 0.451 31 R N 0.222 120.784 120.500 0.102 0.000 3.641 31 R HA -0.174 4.166 4.340 -0.000 0.000 0.286 31 R C 0.117 176.521 176.300 0.173 0.000 1.153 31 R CA 0.519 56.721 56.100 0.172 0.000 0.775 31 R CB -1.576 28.835 30.300 0.185 0.000 1.215 31 R HN 0.370 nan 8.270 nan 0.000 0.474 32 R N 0.303 120.889 120.500 0.142 0.000 2.604 32 R HA 0.264 4.604 4.340 -0.000 0.000 0.261 32 R C -0.708 175.700 176.300 0.181 0.000 1.080 32 R CA -0.891 55.297 56.100 0.147 0.000 0.917 32 R CB 1.088 31.452 30.300 0.107 0.000 1.252 32 R HN -0.020 nan 8.270 nan 0.000 0.456 33 I N 3.973 124.694 120.570 0.252 0.000 2.618 33 I HA 0.166 4.336 4.170 -0.000 0.000 0.284 33 I C -1.933 174.329 176.117 0.242 0.000 1.146 33 I CA -2.313 59.108 61.300 0.203 0.000 1.425 33 I CB 0.305 38.375 38.000 0.117 0.000 1.383 33 I HN 0.420 nan 8.210 nan 0.000 0.562 34 P HA 0.032 nan 4.420 nan 0.000 0.266 34 P C 0.379 177.756 177.300 0.127 0.000 1.195 34 P CA 0.021 63.198 63.100 0.128 0.000 0.768 34 P CB 0.662 32.408 31.700 0.077 0.000 0.838 35 D N 1.595 122.110 120.400 0.193 0.000 2.133 35 D HA -0.195 4.445 4.640 -0.000 0.000 0.195 35 D C 1.344 177.700 176.300 0.093 0.000 0.997 35 D CA 1.586 55.703 54.000 0.195 0.000 0.840 35 D CB -0.446 40.457 40.800 0.171 0.000 0.947 35 D HN 0.509 nan 8.370 nan 0.000 0.452 36 D N -0.172 120.274 120.400 0.076 0.000 2.183 36 D HA -0.027 4.613 4.640 -0.000 0.000 0.203 36 D C 0.597 176.926 176.300 0.048 0.000 0.969 36 D CA 0.419 54.455 54.000 0.060 0.000 0.842 36 D CB 0.301 41.132 40.800 0.052 0.000 0.957 36 D HN -0.078 nan 8.370 nan 0.000 0.484 40 A N 1.925 124.801 122.820 0.093 0.000 1.902 40 A HA -0.002 4.318 4.320 -0.000 0.000 0.217 40 A C 1.942 179.574 177.584 0.080 0.000 1.181 40 A CA 1.376 53.457 52.037 0.072 0.000 0.623 40 A CB -0.586 18.439 19.000 0.042 0.000 0.818 40 A HN 0.285 nan 8.150 nan 0.000 0.443 41 L N -0.774 120.502 121.223 0.089 0.000 2.042 41 L HA -0.274 4.065 4.340 -0.000 0.000 0.210 41 L C 2.918 179.883 176.870 0.158 0.000 1.076 41 L CA 1.945 56.810 54.840 0.041 0.000 0.749 41 L CB -0.519 41.528 42.059 -0.021 0.000 0.893 41 L HN 0.620 nan 8.230 nan 0.000 0.432 42 Q N 0.465 120.485 119.800 0.368 0.000 2.061 42 Q HA -0.269 4.071 4.340 -0.000 0.000 0.204 42 Q C 1.951 178.099 176.000 0.247 0.000 0.984 42 Q CA 1.971 58.037 55.803 0.438 0.000 0.846 42 Q CB -0.025 28.932 28.738 0.365 0.000 0.902 42 Q HN 0.528 nan 8.270 nan 0.000 0.421 43 E N -0.330 119.975 120.200 0.174 0.000 2.268 43 E HA -0.141 4.209 4.350 -0.000 0.000 0.195 43 E C 1.892 178.564 176.600 0.119 0.000 0.995 43 E CA 1.418 57.895 56.400 0.128 0.000 0.836 43 E CB -0.007 29.751 29.700 0.097 0.000 0.763 43 E HN 0.596 nan 8.360 nan 0.000 0.491 44 T N -2.959 111.663 114.554 0.115 0.000 2.995 44 T HA 0.042 4.392 4.350 -0.000 0.000 0.269 44 T C 1.689 176.481 174.700 0.154 0.000 1.091 44 T CA 0.790 62.953 62.100 0.104 0.000 1.128 44 T CB 0.133 69.040 68.868 0.064 0.000 0.891 44 T HN 0.295 nan 8.240 nan 0.000 0.492 45 G N 0.311 109.228 108.800 0.195 0.000 2.175 45 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.244 45 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.244 45 G C 0.408 175.436 174.900 0.213 0.000 0.982 45 G CA 0.311 45.576 45.100 0.275 0.000 0.641 45 G HN 0.517 nan 8.290 nan 0.000 0.527 46 F N 1.244 121.168 119.950 -0.043 0.000 2.091 46 F HA 0.033 4.560 4.527 -0.000 0.000 0.299 46 F C 2.198 177.932 175.800 -0.110 0.000 1.103 46 F CA 2.529 60.409 58.000 -0.199 0.000 1.228 46 F CB -0.388 38.336 39.000 -0.460 0.000 0.984 46 F HN 0.130 nan 8.300 nan 0.000 0.477 47 F N 0.672 120.611 119.950 -0.018 0.000 2.365 47 F HA -0.020 4.507 4.527 -0.000 0.000 0.300 47 F C 2.301 178.055 175.800 -0.077 0.000 1.090 47 F CA 1.084 59.027 58.000 -0.094 0.000 1.408 47 F CB -0.769 38.310 39.000 0.132 0.000 1.060 47 F HN -0.081 nan 8.300 nan 0.000 0.534 48 R N -0.087 120.500 120.500 0.146 0.000 2.307 48 R HA 0.019 4.359 4.340 -0.000 0.000 0.199 48 R C 1.994 178.429 176.300 0.225 0.000 1.000 48 R CA 0.244 56.434 56.100 0.149 0.000 1.023 48 R CB -0.366 30.038 30.300 0.174 0.000 0.908 48 R HN 0.362 nan 8.270 nan 0.000 0.473 49 L N 0.483 121.755 121.223 0.082 0.000 1.990 49 L HA -0.213 4.127 4.340 -0.000 0.000 0.213 49 L C 1.822 178.707 176.870 0.026 0.000 1.072 49 L CA 1.563 56.416 54.840 0.021 0.000 0.755 49 L CB -0.213 41.761 42.059 -0.142 0.000 0.889 49 L HN 0.232 nan 8.230 nan 0.000 0.432 50 L N -1.079 120.105 121.223 -0.065 0.000 2.628 50 L HA 0.120 4.460 4.340 -0.000 0.000 0.229 50 L C 0.882 177.900 176.870 0.246 0.000 1.137 50 L CA -0.280 54.565 54.840 0.009 0.000 0.909 50 L CB -0.002 41.952 42.059 -0.175 0.000 1.137 50 L HN 0.291 nan 8.230 nan 0.000 0.470 51 Q N 1.892 121.789 119.800 0.162 0.000 2.327 51 Q HA 0.221 4.561 4.340 -0.000 0.000 0.254 51 Q C -2.255 173.858 176.000 0.189 0.000 0.952 51 Q CA -1.762 54.106 55.803 0.109 0.000 0.884 51 Q CB 1.249 29.899 28.738 -0.147 0.000 1.224 51 Q HN -0.060 nan 8.270 nan 0.000 0.422 52 P HA -0.104 nan 4.420 nan 0.000 0.269 52 P C 0.022 177.361 177.300 0.065 0.000 1.209 52 P CA 0.055 63.278 63.100 0.206 0.000 0.776 52 P CB 0.604 32.383 31.700 0.133 0.000 0.876 53 E N 3.072 123.297 120.200 0.041 0.000 2.171 53 E HA -0.284 4.066 4.350 -0.000 0.000 0.197 53 E C 1.476 177.985 176.600 -0.152 0.000 0.997 53 E CA 1.770 58.142 56.400 -0.047 0.000 0.810 53 E CB -0.037 29.650 29.700 -0.022 0.000 0.738 53 E HN 0.592 nan 8.360 nan 0.000 0.467 54 Q N -1.399 118.241 119.800 -0.267 0.000 2.291 54 Q HA -0.143 4.197 4.340 -0.000 0.000 0.206 54 Q C 1.120 176.738 176.000 -0.636 0.000 0.976 54 Q CA 1.460 56.958 55.803 -0.509 0.000 0.875 54 Q CB -0.584 27.729 28.738 -0.709 0.000 0.927 54 Q HN 0.321 nan 8.270 nan 0.000 0.450 55 W N 0.103 121.321 121.300 -0.136 0.000 3.123 55 W HA 0.473 5.133 4.660 -0.000 0.000 0.383 55 W C 0.719 177.078 176.519 -0.267 0.000 1.102 55 W CA -0.155 57.056 57.345 -0.224 0.000 1.865 55 W CB 0.928 30.135 29.460 -0.421 0.000 1.111 55 W HN 0.321 nan 8.180 nan 0.000 0.621 56 G N 0.513 109.266 108.800 -0.078 0.000 2.132 56 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.234 56 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.234 56 G C 0.442 175.228 174.900 -0.190 0.000 0.989 56 G CA -0.315 44.710 45.100 -0.125 0.000 0.676 56 G HN 0.493 nan 8.290 nan 0.000 0.522 57 G N -1.690 107.021 108.800 -0.150 0.000 2.522 57 G HA2 0.551 4.511 3.960 -0.000 0.000 0.304 57 G HA3 0.551 4.511 3.960 -0.000 0.000 0.304 57 G C 0.411 175.234 174.900 -0.129 0.000 1.210 57 G CA -0.491 44.533 45.100 -0.127 0.000 0.960 57 G HN 0.185 nan 8.290 nan 0.000 0.497 58 Y N -0.334 119.986 120.300 0.033 0.000 2.517 58 Y HA 0.028 4.578 4.550 -0.000 0.000 0.281 58 Y C 1.990 177.921 175.900 0.051 0.000 1.125 58 Y CA 0.734 58.865 58.100 0.053 0.000 1.283 58 Y CB -0.101 38.395 38.460 0.059 0.000 1.042 58 Y HN 0.656 nan 8.280 nan 0.000 0.547 59 Q N 0.065 119.988 119.800 0.205 0.000 2.402 59 Q HA -0.244 4.096 4.340 -0.000 0.000 0.356 59 Q C -0.069 175.953 176.000 0.036 0.000 1.344 59 Q CA 0.145 56.025 55.803 0.128 0.000 1.062 59 Q CB -1.828 27.024 28.738 0.190 0.000 1.268 59 Q HN 0.384 nan 8.270 nan 0.000 0.383 60 A N 0.936 123.761 122.820 0.007 0.000 2.313 60 A HA 0.273 4.593 4.320 -0.000 0.000 0.261 60 A C 0.273 177.739 177.584 -0.196 0.000 1.090 60 A CA 0.059 52.067 52.037 -0.048 0.000 0.807 60 A CB 0.586 19.506 19.000 -0.132 0.000 1.055 60 A HN 0.534 nan 8.150 nan 0.000 0.492 61 D N 1.308 121.583 120.400 -0.208 0.000 2.662 61 D HA -0.025 4.615 4.640 -0.000 0.000 0.233 61 D C -1.192 174.787 176.300 -0.535 0.000 1.129 61 D CA -0.965 52.716 54.000 -0.532 0.000 0.851 61 D CB 0.786 41.503 40.800 -0.139 0.000 1.152 61 D HN 0.196 nan 8.370 nan 0.000 0.507 62 P HA -0.136 nan 4.420 nan 0.000 0.222 62 P C 1.591 178.723 177.300 -0.280 0.000 1.147 62 P CA 0.374 63.207 63.100 -0.445 0.000 0.790 62 P CB 0.314 31.801 31.700 -0.354 0.000 0.780 63 V N 0.229 120.010 119.914 -0.221 0.000 2.407 63 V HA -0.206 3.914 4.120 -0.000 0.000 0.248 63 V C 2.611 178.530 176.094 -0.291 0.000 1.055 63 V CA 1.422 63.664 62.300 -0.097 0.000 1.049 63 V CB -1.275 30.546 31.823 -0.003 0.000 0.662 63 V HN 0.055 nan 8.190 nan 0.000 0.455 64 L N -0.127 120.733 121.223 -0.604 0.000 2.046 64 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 64 L C 2.171 178.822 176.870 -0.364 0.000 1.077 64 L CA 2.091 56.498 54.840 -0.721 0.000 0.747 64 L CB -0.872 40.776 42.059 -0.686 0.000 0.896 64 L HN 0.339 nan 8.230 nan 0.000 0.432 65 F N -0.695 118.981 119.950 -0.457 0.000 2.102 65 F HA -0.276 4.251 4.527 -0.000 0.000 0.298 65 F C 2.062 177.703 175.800 -0.265 0.000 1.105 65 F CA 1.786 59.531 58.000 -0.426 0.000 1.239 65 F CB -0.578 38.053 39.000 -0.615 0.000 0.991 65 F HN 0.164 nan 8.300 nan 0.000 0.474 66 Y N 0.047 120.304 120.300 -0.073 0.000 2.352 66 Y HA -0.108 4.442 4.550 0.000 0.000 0.292 66 Y C 2.767 178.702 175.900 0.058 0.000 1.136 66 Y CA 1.181 59.254 58.100 -0.044 0.000 1.227 66 Y CB -1.314 37.197 38.460 0.085 0.000 0.991 66 Y HN 0.027 nan 8.280 nan 0.000 0.545 67 S N -0.146 115.664 115.700 0.184 0.000 2.383 67 S HA -0.187 4.283 4.470 -0.000 0.000 0.227 67 S C 2.370 176.859 174.600 -0.184 0.000 1.026 67 S CA 0.991 59.201 58.200 0.016 0.000 0.981 67 S CB -0.562 62.653 63.200 0.024 0.000 0.818 67 S HN 0.520 nan 8.310 nan 0.000 0.472 68 A N 1.141 123.842 122.820 -0.198 0.000 1.898 68 A HA -0.025 4.295 4.320 -0.000 0.000 0.216 68 A C 2.332 179.738 177.584 -0.296 0.000 1.181 68 A CA 1.365 53.279 52.037 -0.205 0.000 0.620 68 A CB -0.915 18.048 19.000 -0.062 0.000 0.819 68 A HN 0.326 nan 8.150 nan 0.000 0.442 69 V N 0.307 120.031 119.914 -0.317 0.000 2.287 69 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 69 V C 2.736 178.698 176.094 -0.220 0.000 1.053 69 V CA 2.252 64.371 62.300 -0.302 0.000 1.027 69 V CB -0.800 30.877 31.823 -0.243 0.000 0.646 69 V HN 0.578 nan 8.190 nan 0.000 0.447 70 R N 0.284 120.654 120.500 -0.217 0.000 2.096 70 R HA -0.233 4.107 4.340 -0.000 0.000 0.240 70 R C 2.420 178.529 176.300 -0.319 0.000 1.139 70 R CA 2.331 58.244 56.100 -0.311 0.000 0.952 70 R CB -0.425 29.474 30.300 -0.668 0.000 0.854 70 R HN 0.542 nan 8.270 nan 0.000 0.436 71 K N 0.284 120.486 120.400 -0.329 0.000 2.002 71 K HA -0.133 4.187 4.320 -0.000 0.000 0.209 71 K C 2.280 178.762 176.600 -0.197 0.000 1.048 71 K CA 1.729 57.855 56.287 -0.267 0.000 0.930 71 K CB -0.209 32.146 32.500 -0.242 0.000 0.714 71 K HN 0.158 nan 8.250 nan 0.000 0.438 72 I N 1.136 121.564 120.570 -0.237 0.000 2.163 72 I HA -0.280 3.890 4.170 -0.000 0.000 0.243 72 I C 2.492 178.555 176.117 -0.089 0.000 1.085 72 I CA 1.400 62.574 61.300 -0.210 0.000 1.347 72 I CB -0.409 37.374 38.000 -0.363 0.000 1.044 72 I HN 0.266 nan 8.210 nan 0.000 0.408 73 A N 0.591 123.371 122.820 -0.067 0.000 2.019 73 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 73 A C 2.439 180.098 177.584 0.124 0.000 1.164 73 A CA 1.880 53.951 52.037 0.058 0.000 0.644 73 A CB -0.755 18.285 19.000 0.067 0.000 0.805 73 A HN 0.553 nan 8.150 nan 0.000 0.449 74 S N -0.518 115.196 115.700 0.023 0.000 2.474 74 S HA 0.192 4.662 4.470 -0.000 0.000 0.235 74 S C 1.768 176.479 174.600 0.184 0.000 0.997 74 S CA 1.105 59.315 58.200 0.016 0.000 0.949 74 S CB -0.244 62.917 63.200 -0.065 0.000 0.766 74 S HN 0.779 nan 8.310 nan 0.000 0.517 75 A N -0.272 122.648 122.820 0.168 0.000 1.924 75 A HA 0.434 4.754 4.320 -0.000 0.000 0.211 75 A C 1.083 178.779 177.584 0.186 0.000 1.198 75 A CA 0.637 52.780 52.037 0.178 0.000 0.657 75 A CB -0.337 18.698 19.000 0.058 0.000 0.852 75 A HN 0.792 nan 8.150 nan 0.000 0.454 76 C N -1.118 118.276 119.300 0.158 0.000 2.705 76 C HA 0.591 5.051 4.460 -0.000 0.000 0.369 76 C C 1.671 176.745 174.990 0.140 0.000 1.069 76 C CA -0.391 58.675 59.018 0.079 0.000 1.260 76 C CB 0.453 28.211 27.740 0.030 0.000 1.764 76 C HN 0.614 nan 8.230 nan 0.000 0.469 77 G N 3.141 112.035 108.800 0.157 0.000 2.446 77 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.217 77 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.217 77 G C 1.649 176.663 174.900 0.191 0.000 1.168 77 G CA 1.496 46.727 45.100 0.219 0.000 0.771 77 G HN 0.774 nan 8.290 nan 0.000 0.551 78 S N 0.255 116.033 115.700 0.131 0.000 2.368 78 S HA -0.121 4.349 4.470 -0.000 0.000 0.225 78 S C 2.558 177.283 174.600 0.208 0.000 1.030 78 S CA 1.766 60.069 58.200 0.171 0.000 0.999 78 S CB -0.504 62.775 63.200 0.132 0.000 0.844 78 S HN 0.461 nan 8.310 nan 0.000 0.459 79 T N 1.436 116.070 114.554 0.132 0.000 2.746 79 T HA -0.046 4.304 4.350 -0.000 0.000 0.267 79 T C 2.044 176.790 174.700 0.077 0.000 1.039 79 T CA 1.302 63.458 62.100 0.092 0.000 1.142 79 T CB -0.795 68.091 68.868 0.029 0.000 0.866 79 T HN 0.544 nan 8.240 nan 0.000 0.444 80 G N 0.287 109.140 108.800 0.088 0.000 2.418 80 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.217 80 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.217 80 G C 1.434 176.423 174.900 0.148 0.000 1.158 80 G CA 0.423 45.553 45.100 0.049 0.000 0.771 80 G HN 0.537 nan 8.290 nan 0.000 0.545 81 W N 1.057 122.390 121.300 0.055 0.000 2.354 81 W HA -0.149 4.511 4.660 0.000 0.000 0.315 81 W C 2.231 178.824 176.519 0.122 0.000 1.206 81 W CA 1.689 59.089 57.345 0.092 0.000 1.290 81 W CB -0.427 29.103 29.460 0.117 0.000 1.152 81 W HN 0.117 nan 8.180 nan 0.000 0.489 82 V N 0.972 121.092 119.914 0.344 0.000 2.343 82 V HA -0.319 3.801 4.120 -0.000 0.000 0.247 82 V C 2.507 178.746 176.094 0.243 0.000 1.051 82 V CA 2.275 64.730 62.300 0.259 0.000 1.036 82 V CB -1.216 30.769 31.823 0.270 0.000 0.654 82 V HN 0.111 nan 8.190 nan 0.000 0.451 83 S N -0.484 115.336 115.700 0.201 0.000 2.368 83 S HA -0.226 4.244 4.470 -0.000 0.000 0.225 83 S C 2.247 177.092 174.600 0.410 0.000 1.030 83 S CA 1.817 60.166 58.200 0.249 0.000 0.999 83 S CB -0.390 62.612 63.200 -0.329 0.000 0.844 83 S HN 0.596 nan 8.310 nan 0.000 0.459 84 S N 1.014 116.822 115.700 0.181 0.000 2.356 84 S HA -0.044 4.426 4.470 -0.000 0.000 0.223 84 S C 1.790 176.538 174.600 0.246 0.000 1.032 84 S CA 1.156 59.484 58.200 0.213 0.000 1.005 84 S CB -0.396 62.807 63.200 0.006 0.000 0.867 84 S HN 0.438 nan 8.310 nan 0.000 0.449 85 I N 1.385 121.968 120.570 0.021 0.000 2.233 85 I HA -0.119 4.051 4.170 -0.000 0.000 0.243 85 I C 2.099 178.011 176.117 -0.342 0.000 1.093 85 I CA 0.719 61.959 61.300 -0.101 0.000 1.380 85 I CB -0.299 37.640 38.000 -0.102 0.000 1.067 85 I HN 0.301 nan 8.210 nan 0.000 0.413 86 I N 1.078 121.641 120.570 -0.013 0.000 2.208 86 I HA -0.212 3.958 4.170 -0.000 0.000 0.245 86 I C 2.672 178.928 176.117 0.232 0.000 1.097 86 I CA 1.867 63.229 61.300 0.103 0.000 1.363 86 I CB -2.069 36.100 38.000 0.282 0.000 1.051 86 I HN 0.273 nan 8.210 nan 0.000 0.413 87 G N 0.124 109.215 108.800 0.485 0.000 2.418 87 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.217 87 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.217 87 G C 1.877 176.858 174.900 0.135 0.000 1.158 87 G CA 0.801 46.185 45.100 0.473 0.000 0.771 87 G HN 0.308 nan 8.290 nan 0.000 0.545 88 V N 0.437 120.407 119.914 0.092 0.000 2.809 88 V HA -0.083 4.037 4.120 -0.000 0.000 0.256 88 V C 2.365 178.688 176.094 0.381 0.000 1.080 88 V CA 1.739 64.055 62.300 0.027 0.000 1.102 88 V CB -0.639 31.235 31.823 0.085 0.000 0.705 88 V HN 0.636 nan 8.190 nan 0.000 0.475 89 H N -0.258 119.061 119.070 0.416 0.000 2.489 89 H HA -0.082 4.474 4.556 -0.000 0.000 0.293 89 H C 2.005 177.544 175.328 0.352 0.000 1.066 89 H CA 1.221 57.522 56.048 0.421 0.000 1.305 89 H CB 0.116 30.043 29.762 0.276 0.000 1.386 89 H HN 0.414 nan 8.280 nan 0.000 0.551 90 N N -0.028 118.947 118.700 0.458 0.000 2.331 90 N HA -0.136 4.604 4.740 -0.000 0.000 0.180 90 N C 1.440 177.244 175.510 0.490 0.000 1.019 90 N CA 0.627 53.979 53.050 0.504 0.000 0.881 90 N CB -0.274 38.462 38.487 0.416 0.000 0.972 90 N HN 0.511 nan 8.380 nan 0.000 0.435 91 W N 1.180 122.644 121.300 0.273 0.000 2.407 91 W HA -0.072 4.588 4.660 0.000 0.000 0.305 91 W C 2.452 179.206 176.519 0.391 0.000 1.196 91 W CA 1.455 59.013 57.345 0.356 0.000 1.311 91 W CB -0.589 28.988 29.460 0.195 0.000 1.135 91 W HN 0.221 nan 8.180 nan 0.000 0.514 92 H N -0.475 118.962 119.070 0.612 0.000 2.352 92 H HA -0.232 4.324 4.556 -0.000 0.000 0.299 92 H C 2.154 177.552 175.328 0.117 0.000 1.097 92 H CA 1.553 57.808 56.048 0.346 0.000 1.311 92 H CB -0.138 29.917 29.762 0.488 0.000 1.377 92 H HN 0.197 nan 8.280 nan 0.000 0.504 93 L N 0.997 122.265 121.223 0.074 0.000 2.191 93 L HA -0.059 4.281 4.340 -0.000 0.000 0.212 93 L C 2.496 179.293 176.870 -0.121 0.000 1.103 93 L CA 1.568 56.255 54.840 -0.254 0.000 0.769 93 L CB -0.792 40.881 42.059 -0.643 0.000 0.908 93 L HN 0.339 nan 8.230 nan 0.000 0.438 94 A N -0.882 121.879 122.820 -0.098 0.000 2.076 94 A HA -0.148 4.172 4.320 -0.000 0.000 0.220 94 A C 2.123 179.516 177.584 -0.318 0.000 1.160 94 A CA 1.795 53.660 52.037 -0.285 0.000 0.653 94 A CB -0.722 17.763 19.000 -0.859 0.000 0.801 94 A HN 0.528 nan 8.150 nan 0.000 0.455 95 L N -2.399 118.679 121.223 -0.242 0.000 2.477 95 L HA 0.186 4.526 4.340 -0.000 0.000 0.220 95 L C 0.621 177.383 176.870 -0.180 0.000 1.106 95 L CA -0.404 54.291 54.840 -0.242 0.000 0.851 95 L CB -0.249 41.631 42.059 -0.298 0.000 0.994 95 L HN 0.271 nan 8.230 nan 0.000 0.462 96 F N 0.756 120.525 119.950 -0.302 0.000 2.480 96 F HA 0.031 4.558 4.527 -0.000 0.000 0.319 96 F C 1.602 177.288 175.800 -0.189 0.000 1.230 96 F CA -0.444 57.387 58.000 -0.282 0.000 1.285 96 F CB 0.479 39.262 39.000 -0.363 0.000 1.208 96 F HN -0.059 nan 8.300 nan 0.000 0.579 97 S N 0.768 116.506 115.700 0.063 0.000 2.559 97 S HA -0.093 4.377 4.470 -0.000 0.000 0.282 97 S C 0.843 175.476 174.600 0.055 0.000 1.336 97 S CA -0.550 57.676 58.200 0.042 0.000 1.037 97 S CB 1.032 64.279 63.200 0.079 0.000 0.853 97 S HN 0.718 nan 8.310 nan 0.000 0.523 98 Q N 1.080 120.911 119.800 0.051 0.000 2.152 98 Q HA -0.238 4.102 4.340 -0.000 0.000 0.206 98 Q C 2.248 178.304 176.000 0.094 0.000 0.985 98 Q CA 2.383 58.244 55.803 0.097 0.000 0.863 98 Q CB -0.452 28.326 28.738 0.067 0.000 0.904 98 Q HN 0.929 nan 8.270 nan 0.000 0.422 99 Q N -1.189 118.634 119.800 0.038 0.000 2.079 99 Q HA -0.145 4.195 4.340 -0.000 0.000 0.200 99 Q C 1.871 177.888 176.000 0.029 0.000 0.974 99 Q CA 1.382 57.176 55.803 -0.017 0.000 0.840 99 Q CB -0.279 28.338 28.738 -0.201 0.000 0.898 99 Q HN 0.512 nan 8.270 nan 0.000 0.430 100 A N 0.622 123.502 122.820 0.099 0.000 1.902 100 A HA -0.248 4.072 4.320 -0.000 0.000 0.217 100 A C 1.929 179.254 177.584 -0.432 0.000 1.181 100 A CA 1.641 53.614 52.037 -0.106 0.000 0.623 100 A CB -0.545 18.380 19.000 -0.125 0.000 0.818 100 A HN 0.527 nan 8.150 nan 0.000 0.443 101 Q N -1.040 118.558 119.800 -0.336 0.000 2.084 101 Q HA -0.221 4.119 4.340 -0.000 0.000 0.202 101 Q C 2.090 177.718 176.000 -0.621 0.000 0.978 101 Q CA 1.617 57.091 55.803 -0.549 0.000 0.844 101 Q CB -0.164 28.535 28.738 -0.066 0.000 0.898 101 Q HN 0.770 nan 8.270 nan 0.000 0.426 102 E N 1.249 121.341 120.200 -0.180 0.000 2.077 102 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 102 E C 1.263 177.753 176.600 -0.184 0.000 0.989 102 E CA 1.561 57.924 56.400 -0.061 0.000 0.800 102 E CB -0.086 29.701 29.700 0.144 0.000 0.746 102 E HN 0.240 nan 8.360 nan 0.000 0.452 103 D N -0.437 119.834 120.400 -0.216 0.000 2.133 103 D HA -0.153 4.487 4.640 -0.000 0.000 0.195 103 D C 1.954 178.048 176.300 -0.344 0.000 0.997 103 D CA 1.570 55.462 54.000 -0.181 0.000 0.840 103 D CB -0.206 40.509 40.800 -0.141 0.000 0.947 103 D HN 0.174 nan 8.370 nan 0.000 0.452 104 V N -0.663 118.741 119.914 -0.849 0.000 2.346 104 V HA -0.109 4.011 4.120 -0.000 0.000 0.244 104 V C 1.588 177.315 176.094 -0.611 0.000 1.037 104 V CA 0.993 62.611 62.300 -1.136 0.000 1.029 104 V CB -0.095 30.598 31.823 -1.883 0.000 0.663 104 V HN 0.275 nan 8.190 nan 0.000 0.454 105 W N 0.140 121.057 121.300 -0.638 0.000 3.008 105 W HA 0.423 5.083 4.660 -0.000 0.000 0.355 105 W C 2.093 178.404 176.519 -0.348 0.000 1.095 105 W CA 0.072 57.066 57.345 -0.585 0.000 1.738 105 W CB -0.783 28.055 29.460 -1.037 0.000 1.091 105 W HN 0.329 nan 8.180 nan 0.000 0.574 106 G N 1.206 109.968 108.800 -0.062 0.000 2.462 106 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.220 106 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.220 106 G C 1.237 176.231 174.900 0.156 0.000 1.121 106 G CA 1.216 46.399 45.100 0.139 0.000 0.758 106 G HN 0.313 nan 8.290 nan 0.000 0.559 107 N N -1.170 117.598 118.700 0.114 0.000 2.273 107 N HA 0.143 4.883 4.740 -0.000 0.000 0.192 107 N C -0.824 174.750 175.510 0.107 0.000 1.132 107 N CA 0.052 53.165 53.050 0.105 0.000 0.887 107 N CB 0.892 39.430 38.487 0.084 0.000 1.048 107 N HN 0.093 nan 8.380 nan 0.000 0.490 108 D N -0.196 120.280 120.400 0.126 0.000 2.354 108 D HA 0.022 4.662 4.640 -0.000 0.000 0.230 108 D C 0.238 176.628 176.300 0.151 0.000 1.361 108 D CA -0.270 53.803 54.000 0.122 0.000 0.992 108 D CB 0.720 41.589 40.800 0.116 0.000 1.409 108 D HN 0.078 nan 8.370 nan 0.000 0.573 109 T N -0.499 114.096 114.554 0.069 0.000 3.160 109 T HA 0.034 4.384 4.350 -0.000 0.000 0.257 109 T C 0.642 175.232 174.700 -0.183 0.000 1.147 109 T CA 0.335 62.354 62.100 -0.134 0.000 1.064 109 T CB 0.157 68.944 68.868 -0.135 0.000 0.949 109 T HN 0.188 nan 8.240 nan 0.000 0.526 110 D N 1.113 121.525 120.400 0.021 0.000 2.339 110 D HA 0.173 4.813 4.640 -0.000 0.000 0.217 110 D C 0.381 176.766 176.300 0.141 0.000 1.050 110 D CA -0.012 54.028 54.000 0.066 0.000 0.856 110 D CB 0.473 41.323 40.800 0.084 0.000 0.922 110 D HN 0.298 nan 8.370 nan 0.000 0.518 111 V N 1.683 121.746 119.914 0.250 0.000 2.763 111 V HA -0.024 4.096 4.120 -0.000 0.000 0.306 111 V C 0.938 177.192 176.094 0.267 0.000 1.059 111 V CA 0.445 62.895 62.300 0.251 0.000 1.138 111 V CB 0.735 32.708 31.823 0.249 0.000 0.940 111 V HN -0.032 nan 8.190 nan 0.000 0.489 112 R N 3.513 124.100 120.500 0.144 0.000 2.787 112 R HA 0.767 5.107 4.340 -0.000 0.000 0.271 112 R C -1.338 175.038 176.300 0.126 0.000 0.993 112 R CA -0.871 55.285 56.100 0.093 0.000 0.993 112 R CB 1.874 32.142 30.300 -0.054 0.000 1.155 112 R HN 0.509 nan 8.270 nan 0.000 0.486 113 I N 0.477 121.129 120.570 0.137 0.000 2.545 113 I HA 0.231 4.401 4.170 -0.000 0.000 0.292 113 I C 0.051 176.285 176.117 0.195 0.000 1.040 113 I CA -0.253 61.110 61.300 0.105 0.000 1.068 113 I CB 2.164 40.134 38.000 -0.050 0.000 1.251 113 I HN 0.669 nan 8.210 nan 0.000 0.424 114 S N 3.312 119.051 115.700 0.065 0.000 2.767 114 S HA 0.944 5.414 4.470 -0.000 0.000 0.300 114 S C -0.229 174.181 174.600 -0.318 0.000 1.123 114 S CA -0.388 57.849 58.200 0.062 0.000 0.992 114 S CB 1.776 65.023 63.200 0.079 0.000 1.138 114 S HN 0.757 nan 8.310 nan 0.000 0.550 115 S N -0.555 114.991 115.700 -0.257 0.000 2.638 115 S HA 0.785 5.255 4.470 -0.000 0.000 0.274 115 S C -0.971 173.448 174.600 -0.303 0.000 1.157 115 S CA -0.671 57.201 58.200 -0.547 0.000 0.826 115 S CB 1.375 63.971 63.200 -1.007 0.000 1.139 115 S HN 1.295 nan 8.310 nan 0.000 0.474 116 S N 0.357 115.815 115.700 -0.404 0.000 2.680 116 S HA 0.468 4.938 4.470 -0.000 0.000 0.262 116 S C -1.262 173.350 174.600 0.020 0.000 1.138 116 S CA -0.556 57.620 58.200 -0.040 0.000 1.072 116 S CB 0.198 63.512 63.200 0.190 0.000 1.097 116 S HN 0.658 nan 8.310 nan 0.000 0.468 117 Y N 2.360 122.857 120.300 0.328 0.000 2.517 117 Y HA 0.433 4.983 4.550 -0.000 0.000 0.281 117 Y C 1.623 177.798 175.900 0.458 0.000 1.125 117 Y CA 0.412 58.740 58.100 0.380 0.000 1.283 117 Y CB -0.137 38.538 38.460 0.360 0.000 1.042 117 Y HN 0.772 nan 8.280 nan 0.000 0.547 118 A N 2.552 125.685 122.820 0.521 0.000 2.445 118 A HA 0.279 4.598 4.320 -0.000 0.000 0.242 118 A C -2.013 175.892 177.584 0.535 0.000 1.075 118 A CA -1.131 51.154 52.037 0.413 0.000 0.777 118 A CB -0.393 18.742 19.000 0.224 0.000 1.013 118 A HN 0.017 nan 8.150 nan 0.000 0.493 122 A N -1.752 121.057 122.820 -0.018 0.000 2.610 122 A HA 0.944 5.264 4.320 -0.000 0.000 0.291 122 A C -0.349 177.179 177.584 -0.094 0.000 1.086 122 A CA 0.093 52.169 52.037 0.064 0.000 0.677 122 A CB 1.540 20.564 19.000 0.041 0.000 1.278 122 A HN 2.250 nan 8.150 nan 0.000 0.414 123 G N 0.080 108.856 108.800 -0.039 0.000 2.557 123 G HA2 0.539 4.499 3.960 -0.000 0.000 0.310 123 G HA3 0.539 4.499 3.960 -0.000 0.000 0.310 123 G C -0.776 174.229 174.900 0.175 0.000 1.328 123 G CA -0.419 44.600 45.100 -0.135 0.000 0.945 123 G HN 0.849 nan 8.290 nan 0.000 0.494 124 Q N 2.121 122.011 119.800 0.149 0.000 2.256 124 Q HA 0.448 4.788 4.340 -0.000 0.000 0.254 124 Q C -0.046 176.075 176.000 0.202 0.000 0.916 124 Q CA -0.447 55.455 55.803 0.165 0.000 0.932 124 Q CB 1.594 30.385 28.738 0.089 0.000 1.207 124 Q HN 0.338 nan 8.270 nan 0.000 0.426 125 V N 5.546 125.559 119.914 0.165 0.000 2.557 125 V HA 0.260 4.380 4.120 -0.000 0.000 0.301 125 V C 0.300 176.381 176.094 -0.022 0.000 1.026 125 V CA 0.573 62.870 62.300 -0.005 0.000 1.137 125 V CB -0.035 31.794 31.823 0.011 0.000 0.917 125 V HN 0.687 nan 8.190 nan 0.000 0.484 126 V N 1.759 121.627 119.914 -0.077 0.000 3.181 126 V HA 0.631 4.751 4.120 -0.000 0.000 0.308 126 V C -0.642 175.448 176.094 -0.006 0.000 1.214 126 V CA -1.340 60.962 62.300 0.002 0.000 1.053 126 V CB 2.108 33.983 31.823 0.087 0.000 1.069 126 V HN 0.582 nan 8.190 nan 0.000 0.441 127 D N 1.620 122.027 120.400 0.012 0.000 2.472 127 D HA 0.429 5.069 4.640 -0.000 0.000 0.248 127 D C 1.278 177.628 176.300 0.084 0.000 1.174 127 D CA 2.231 56.238 54.000 0.012 0.000 0.883 127 D CB 0.695 41.487 40.800 -0.013 0.000 1.149 127 D HN 1.607 nan 8.370 nan 0.000 0.488 128 G N 1.172 110.022 108.800 0.084 0.000 2.176 128 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.253 128 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.253 128 G C 0.740 175.785 174.900 0.242 0.000 0.979 128 G CA 0.236 45.458 45.100 0.204 0.000 0.641 128 G HN 1.120 nan 8.290 nan 0.000 0.530 129 G N -1.363 107.435 108.800 -0.004 0.000 2.530 129 G HA2 0.524 4.484 3.960 -0.000 0.000 0.081 129 G HA3 0.524 4.484 3.960 -0.000 0.000 0.081 129 G C -1.057 173.407 174.900 -0.726 0.000 1.062 129 G CA 0.158 45.037 45.100 -0.369 0.000 1.108 129 G HN 1.074 nan 8.290 nan 0.000 0.466 130 Y N -0.020 120.214 120.300 -0.111 0.000 2.544 130 Y HA 0.637 5.187 4.550 -0.000 0.000 0.342 130 Y C -0.218 175.643 175.900 -0.066 0.000 1.062 130 Y CA -0.771 57.307 58.100 -0.037 0.000 1.023 130 Y CB 2.423 40.883 38.460 0.001 0.000 1.308 130 Y HN 0.409 nan 8.280 nan 0.000 0.457 131 T N 2.980 117.618 114.554 0.139 0.000 2.744 131 T HA 0.545 4.895 4.350 -0.000 0.000 0.291 131 T C -0.535 174.147 174.700 -0.030 0.000 0.957 131 T CA -0.558 61.588 62.100 0.077 0.000 1.002 131 T CB 0.541 69.463 68.868 0.089 0.000 0.919 131 T HN 0.323 nan 8.240 nan 0.000 0.468 132 V N 4.956 124.807 119.914 -0.106 0.000 2.513 132 V HA 0.530 4.650 4.120 -0.000 0.000 0.299 132 V C -0.092 175.964 176.094 -0.063 0.000 1.035 132 V CA -0.951 61.219 62.300 -0.216 0.000 0.889 132 V CB 1.704 33.260 31.823 -0.446 0.000 0.988 132 V HN 0.802 nan 8.190 nan 0.000 0.440 133 N N 2.458 121.133 118.700 -0.042 0.000 2.310 133 N HA 0.779 5.519 4.740 -0.000 0.000 0.292 133 N C -0.291 175.164 175.510 -0.091 0.000 1.049 133 N CA -0.161 52.877 53.050 -0.020 0.000 0.849 133 N CB 2.716 41.180 38.487 -0.038 0.000 1.532 133 N HN 0.993 nan 8.380 nan 0.000 0.479 134 G N -0.260 108.482 108.800 -0.096 0.000 2.451 134 G HA2 0.620 4.580 3.960 -0.000 0.000 0.292 134 G HA3 0.620 4.580 3.960 -0.000 0.000 0.292 134 G C -2.012 172.756 174.900 -0.221 0.000 1.427 134 G CA -0.527 44.295 45.100 -0.463 0.000 0.792 134 G HN 0.533 nan 8.290 nan 0.000 0.498 135 A N 0.095 122.707 122.820 -0.347 0.000 2.702 135 A HA 0.581 4.901 4.320 -0.000 0.000 0.305 135 A C -1.095 176.447 177.584 -0.071 0.000 1.213 135 A CA -0.412 51.575 52.037 -0.084 0.000 0.745 135 A CB 0.357 19.323 19.000 -0.056 0.000 1.161 135 A HN 0.579 nan 8.150 nan 0.000 0.445 136 W N 2.742 124.054 121.300 0.019 0.000 2.357 136 W HA 0.492 5.152 4.660 0.000 0.000 0.317 136 W C 0.506 177.076 176.519 0.084 0.000 1.101 136 W CA -0.382 56.995 57.345 0.055 0.000 1.380 136 W CB 1.288 30.750 29.460 0.003 0.000 1.266 136 W HN 0.822 nan 8.180 nan 0.000 0.419 137 A N 3.184 126.208 122.820 0.340 0.000 2.280 137 A HA 0.417 4.737 4.320 -0.000 0.000 0.268 137 A C -0.431 177.446 177.584 0.487 0.000 1.111 137 A CA -0.060 52.174 52.037 0.327 0.000 0.814 137 A CB 0.020 19.240 19.000 0.366 0.000 1.093 137 A HN 0.743 nan 8.150 nan 0.000 0.498 138 W N -0.680 120.695 121.300 0.126 0.000 4.706 138 W HA -0.153 4.507 4.660 -0.000 0.000 0.366 138 W C 0.707 177.257 176.519 0.052 0.000 1.382 138 W CA 0.787 58.180 57.345 0.079 0.000 0.832 138 W CB -1.893 27.686 29.460 0.199 0.000 2.504 138 W HN 0.630 nan 8.180 nan 0.000 1.403 139 S N 1.110 116.888 115.700 0.130 0.000 3.036 139 S HA 0.434 4.903 4.470 -0.000 0.000 0.301 139 S C 0.748 175.374 174.600 0.044 0.000 1.205 139 S CA -0.219 58.036 58.200 0.092 0.000 0.999 139 S CB 0.055 63.265 63.200 0.016 0.000 1.337 139 S HN 0.161 nan 8.310 nan 0.000 0.515 140 S N 3.090 118.870 115.700 0.132 0.000 2.546 140 S HA 0.333 4.803 4.470 -0.000 0.000 0.290 140 S C 1.433 176.123 174.600 0.151 0.000 1.290 140 S CA 0.467 58.746 58.200 0.133 0.000 1.069 140 S CB 0.439 63.856 63.200 0.363 0.000 0.846 140 S HN 1.257 nan 8.310 nan 0.000 0.495 141 G N 1.313 110.185 108.800 0.120 0.000 2.179 141 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.257 141 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.257 141 G C 1.007 176.000 174.900 0.155 0.000 1.010 141 G CA 0.393 45.617 45.100 0.207 0.000 0.736 141 G HN 1.213 nan 8.290 nan 0.000 0.513 142 C N -1.655 117.686 119.300 0.069 0.000 2.410 142 C HA 0.062 4.522 4.460 -0.000 0.000 0.281 142 C C 2.030 177.041 174.990 0.035 0.000 1.318 142 C CA 1.233 60.285 59.018 0.057 0.000 1.776 142 C CB -0.604 27.148 27.740 0.019 0.000 1.942 142 C HN 0.395 nan 8.230 nan 0.000 0.508 143 D N -0.064 120.302 120.400 -0.057 0.000 2.350 143 D HA -0.050 4.590 4.640 -0.000 0.000 0.216 143 D C 1.669 177.810 176.300 -0.264 0.000 0.968 143 D CA 1.004 54.899 54.000 -0.175 0.000 0.894 143 D CB -0.462 40.178 40.800 -0.267 0.000 0.909 143 D HN 0.683 nan 8.370 nan 0.000 0.520 144 H N -0.897 118.202 119.070 0.048 0.000 2.520 144 H HA 0.572 5.128 4.556 -0.000 0.000 0.284 144 H C 0.132 175.474 175.328 0.023 0.000 1.037 144 H CA -0.038 56.031 56.048 0.034 0.000 1.168 144 H CB 0.400 30.185 29.762 0.037 0.000 1.497 144 H HN -0.003 nan 8.280 nan 0.000 0.547 145 A N 0.482 123.374 122.820 0.119 0.000 2.469 145 A HA 0.477 4.797 4.320 -0.000 0.000 0.299 145 A C 0.665 178.306 177.584 0.094 0.000 1.098 145 A CA -0.295 51.814 52.037 0.120 0.000 0.737 145 A CB 1.201 20.288 19.000 0.145 0.000 1.312 145 A HN 0.168 nan 8.150 nan 0.000 0.414 146 S N -1.419 114.347 115.700 0.110 0.000 2.629 146 S HA 0.378 4.848 4.470 -0.000 0.000 0.236 146 S C -0.542 173.954 174.600 -0.173 0.000 1.010 146 S CA -0.233 57.949 58.200 -0.030 0.000 0.981 146 S CB -0.256 62.926 63.200 -0.031 0.000 0.919 146 S HN 0.629 nan 8.310 nan 0.000 0.514 147 W N 0.178 121.465 121.300 -0.021 0.000 3.083 147 W HA 0.774 5.434 4.660 -0.000 0.000 0.333 147 W C -0.640 175.874 176.519 -0.008 0.000 1.217 147 W CA -0.724 56.606 57.345 -0.025 0.000 1.170 147 W CB 1.624 30.960 29.460 -0.207 0.000 1.437 147 W HN 0.132 nan 8.180 nan 0.000 0.557 148 A N 1.066 123.995 122.820 0.182 0.000 2.435 148 A HA 0.842 5.162 4.320 -0.000 0.000 0.304 148 A C -1.258 176.168 177.584 -0.262 0.000 1.064 148 A CA -0.856 51.080 52.037 -0.168 0.000 0.727 148 A CB 1.197 19.907 19.000 -0.483 0.000 1.284 148 A HN 0.948 nan 8.150 nan 0.000 0.415 149 V N 0.178 119.850 119.914 -0.403 0.000 2.370 149 V HA 0.790 4.910 4.120 -0.000 0.000 0.283 149 V C -0.677 175.132 176.094 -0.475 0.000 1.023 149 V CA -0.526 61.546 62.300 -0.379 0.000 0.857 149 V CB 0.608 32.245 31.823 -0.309 0.000 0.985 149 V HN 0.658 nan 8.190 nan 0.000 0.443 150 L N 5.161 126.108 121.223 -0.460 0.000 2.349 150 L HA 0.766 5.106 4.340 -0.000 0.000 0.278 150 L C 0.776 177.446 176.870 -0.334 0.000 0.996 150 L CA -0.529 53.819 54.840 -0.820 0.000 0.825 150 L CB 1.902 42.990 42.059 -1.618 0.000 1.243 150 L HN 0.882 nan 8.230 nan 0.000 0.412 151 G N 1.411 110.229 108.800 0.030 0.000 2.390 151 G HA2 0.645 4.605 3.960 -0.000 0.000 0.270 151 G HA3 0.645 4.605 3.960 -0.000 0.000 0.270 151 G C -0.116 174.983 174.900 0.332 0.000 1.211 151 G CA 0.073 45.390 45.100 0.361 0.000 0.842 151 G HN 0.821 nan 8.290 nan 0.000 0.519 152 G N 2.113 110.687 108.800 -0.377 0.000 2.451 152 G HA2 0.668 4.628 3.960 -0.000 0.000 0.292 152 G HA3 0.668 4.628 3.960 -0.000 0.000 0.292 152 G C -3.370 171.148 174.900 -0.637 0.000 1.427 152 G CA -0.820 44.109 45.100 -0.285 0.000 0.792 152 G HN 0.562 nan 8.290 nan 0.000 0.498 153 P HA 0.433 nan 4.420 nan 0.000 0.277 153 P C -0.223 177.140 177.300 0.106 0.000 1.240 153 P CA -0.287 62.795 63.100 -0.029 0.000 0.798 153 P CB 1.836 33.611 31.700 0.125 0.000 0.979 154 V N 3.906 123.871 119.914 0.085 0.000 2.498 154 V HA 0.169 4.289 4.120 -0.000 0.000 0.279 154 V C 0.647 176.840 176.094 0.164 0.000 1.048 154 V CA -0.353 62.048 62.300 0.168 0.000 0.967 154 V CB 0.648 32.554 31.823 0.137 0.000 0.988 154 V HN 0.362 nan 8.190 nan 0.000 0.473 155 I N 5.445 126.123 120.570 0.180 0.000 2.339 155 I HA 0.524 4.694 4.170 -0.000 0.000 0.290 155 I C -0.079 176.116 176.117 0.129 0.000 0.994 155 I CA -0.361 61.018 61.300 0.132 0.000 1.191 155 I CB 1.192 39.254 38.000 0.102 0.000 1.343 155 I HN 0.631 nan 8.210 nan 0.000 0.458 156 K N 3.914 124.375 120.400 0.102 0.000 2.535 156 K HA 0.454 4.774 4.320 -0.000 0.000 0.250 156 K C 0.071 176.708 176.600 0.062 0.000 0.948 156 K CA 0.306 56.644 56.287 0.084 0.000 0.796 156 K CB 1.505 34.059 32.500 0.090 0.000 1.216 156 K HN 0.729 nan 8.250 nan 0.000 0.432 157 D N 2.106 122.536 120.400 0.049 0.000 2.751 157 D HA -0.153 4.487 4.640 -0.000 0.000 0.233 157 D C 0.739 177.063 176.300 0.041 0.000 1.149 157 D CA 1.455 55.479 54.000 0.040 0.000 0.682 157 D CB -2.184 38.638 40.800 0.035 0.000 1.068 157 D HN 1.404 nan 8.370 nan 0.000 0.429 158 G N -3.135 105.692 108.800 0.046 0.000 2.341 158 G HA2 0.324 4.284 3.960 -0.000 0.000 0.292 158 G HA3 0.324 4.284 3.960 -0.000 0.000 0.292 158 G C 0.439 175.367 174.900 0.048 0.000 1.021 158 G CA 1.845 46.972 45.100 0.045 0.000 0.905 158 G HN 2.326 nan 8.290 nan 0.000 0.508 159 R N -0.289 120.245 120.500 0.057 0.000 2.744 159 R HA 0.923 5.263 4.340 -0.000 0.000 0.279 159 R C -3.093 173.252 176.300 0.076 0.000 0.977 159 R CA -1.248 54.888 56.100 0.060 0.000 0.906 159 R CB 1.284 31.616 30.300 0.054 0.000 1.197 159 R HN 0.231 nan 8.270 nan 0.000 0.463 160 P HA 0.256 nan 4.420 nan 0.000 0.287 160 P C 0.368 177.728 177.300 0.101 0.000 1.281 160 P CA -0.039 63.123 63.100 0.103 0.000 0.781 160 P CB 1.481 33.252 31.700 0.118 0.000 0.903 161 V N -1.055 118.921 119.914 0.104 0.000 3.502 161 V HA 0.444 4.564 4.120 -0.000 0.000 0.288 161 V C 0.022 176.173 176.094 0.095 0.000 1.461 161 V CA 0.290 62.646 62.300 0.092 0.000 1.029 161 V CB 0.204 32.078 31.823 0.085 0.000 0.843 161 V HN 0.384 nan 8.190 nan 0.000 0.438 162 D N -0.799 119.666 120.400 0.108 0.000 2.653 162 D HA 0.444 5.084 4.640 -0.000 0.000 0.258 162 D C -1.996 174.395 176.300 0.152 0.000 1.252 162 D CA -0.341 53.723 54.000 0.107 0.000 0.777 162 D CB 2.460 43.286 40.800 0.044 0.000 1.339 162 D HN 0.056 nan 8.370 nan 0.000 0.422 163 F N 2.361 122.340 119.950 0.048 0.000 2.477 163 F HA 0.588 5.115 4.527 -0.000 0.000 0.335 163 F C -0.543 175.317 175.800 0.101 0.000 1.130 163 F CA -0.335 57.721 58.000 0.093 0.000 0.948 163 F CB 1.104 40.181 39.000 0.127 0.000 1.154 163 F HN 0.223 nan 8.300 nan 0.000 0.439 164 V N 1.012 120.733 119.914 -0.322 0.000 3.167 164 V HA 0.729 4.849 4.120 -0.000 0.000 0.310 164 V C -0.907 174.855 176.094 -0.554 0.000 1.207 164 V CA -0.868 61.139 62.300 -0.489 0.000 1.059 164 V CB 1.645 32.978 31.823 -0.817 0.000 1.079 164 V HN 0.615 nan 8.190 nan 0.000 0.446 165 S N 1.156 116.466 115.700 -0.650 0.000 2.454 165 S HA 0.776 5.246 4.470 -0.000 0.000 0.306 165 S C -0.986 173.292 174.600 -0.537 0.000 1.100 165 S CA -0.158 57.803 58.200 -0.398 0.000 1.087 165 S CB 0.781 63.951 63.200 -0.050 0.000 1.019 165 S HN 0.529 nan 8.310 nan 0.000 0.480 166 F N 2.577 122.396 119.950 -0.219 0.000 2.405 166 F HA 0.426 4.953 4.527 -0.000 0.000 0.355 166 F C 0.047 175.714 175.800 -0.220 0.000 1.121 166 F CA -0.995 56.866 58.000 -0.232 0.000 1.112 166 F CB 0.652 39.479 39.000 -0.288 0.000 1.126 166 F HN 0.325 nan 8.300 nan 0.000 0.481 167 L N 6.020 127.234 121.223 -0.015 0.000 2.260 167 L HA 0.573 4.913 4.340 -0.000 0.000 0.289 167 L C -0.834 176.067 176.870 0.052 0.000 1.057 167 L CA -0.057 54.693 54.840 -0.149 0.000 0.811 167 L CB -0.055 41.710 42.059 -0.489 0.000 1.184 167 L HN 0.462 nan 8.230 nan 0.000 0.429 168 I N 7.373 128.017 120.570 0.124 0.000 2.533 168 I HA 0.464 4.634 4.170 -0.000 0.000 0.290 168 I C -2.334 173.821 176.117 0.064 0.000 1.056 168 I CA -1.863 59.504 61.300 0.111 0.000 1.057 168 I CB 2.359 40.390 38.000 0.053 0.000 1.240 168 I HN 0.492 nan 8.210 nan 0.000 0.423 169 P HA 0.215 nan 4.420 nan 0.000 0.276 169 P C 0.129 176.944 177.300 -0.809 0.000 1.244 169 P CA -0.508 61.888 63.100 -1.173 0.000 0.801 169 P CB 1.366 32.127 31.700 -1.565 0.000 1.006 170 R N 1.528 121.441 120.500 -0.977 0.000 2.193 170 R HA -0.153 4.187 4.340 -0.000 0.000 0.229 170 R C 2.056 177.803 176.300 -0.923 0.000 1.110 170 R CA 1.645 56.942 56.100 -1.339 0.000 0.988 170 R CB -0.248 29.573 30.300 -0.800 0.000 0.871 170 R HN 0.572 nan 8.270 nan 0.000 0.458 171 E N -0.618 119.215 120.200 -0.611 0.000 2.333 171 E HA -0.183 4.167 4.350 -0.000 0.000 0.198 171 E C 0.299 176.710 176.600 -0.315 0.000 1.007 171 E CA 1.145 57.311 56.400 -0.390 0.000 0.845 171 E CB 0.051 29.570 29.700 -0.301 0.000 0.766 171 E HN 0.323 nan 8.360 nan 0.000 0.507 172 D N -0.151 120.039 120.400 -0.350 0.000 2.349 172 D HA 0.092 4.732 4.640 -0.000 0.000 0.214 172 D C -0.334 175.946 176.300 -0.034 0.000 1.063 172 D CA 0.236 54.140 54.000 -0.159 0.000 0.847 172 D CB 0.188 40.929 40.800 -0.098 0.000 0.933 172 D HN 0.373 nan 8.370 nan 0.000 0.513 173 Y N -1.546 118.695 120.300 -0.099 0.000 2.638 173 Y HA 0.617 5.167 4.550 -0.000 0.000 0.339 173 Y C -0.569 175.302 175.900 -0.048 0.000 1.084 173 Y CA -1.646 56.420 58.100 -0.056 0.000 1.068 173 Y CB 1.188 39.620 38.460 -0.048 0.000 1.294 173 Y HN -0.391 nan 8.280 nan 0.000 0.480 174 R N 1.817 122.467 120.500 0.249 0.000 2.637 174 R HA 0.704 5.044 4.340 -0.000 0.000 0.291 174 R C -1.716 174.700 176.300 0.193 0.000 0.963 174 R CA -0.803 55.385 56.100 0.147 0.000 0.901 174 R CB 1.352 31.698 30.300 0.076 0.000 1.160 174 R HN 0.924 nan 8.270 nan 0.000 0.457 175 I N 3.440 124.094 120.570 0.141 0.000 2.321 175 I HA 0.194 4.364 4.170 -0.000 0.000 0.291 175 I C -0.653 175.500 176.117 0.060 0.000 0.998 175 I CA -0.610 60.754 61.300 0.106 0.000 1.227 175 I CB 1.689 39.746 38.000 0.095 0.000 1.368 175 I HN 0.432 nan 8.210 nan 0.000 0.466 176 D N 5.113 125.544 120.400 0.052 0.000 2.233 176 D HA 0.130 4.770 4.640 -0.000 0.000 0.240 176 D C -0.437 175.885 176.300 0.036 0.000 1.074 176 D CA -0.205 53.818 54.000 0.039 0.000 0.838 176 D CB 1.532 42.354 40.800 0.037 0.000 1.124 176 D HN 0.362 nan 8.370 nan 0.000 0.475 177 D N 1.987 122.407 120.400 0.035 0.000 2.402 177 D HA 0.077 4.717 4.640 -0.000 0.000 0.235 177 D C 0.676 177.007 176.300 0.051 0.000 1.226 177 D CA -0.360 53.668 54.000 0.046 0.000 0.918 177 D CB 0.443 41.267 40.800 0.040 0.000 1.043 177 D HN 0.138 nan 8.370 nan 0.000 0.506 178 V N 2.138 122.094 119.914 0.071 0.000 3.398 178 V HA 0.325 4.445 4.120 -0.000 0.000 0.298 178 V C 0.494 176.636 176.094 0.081 0.000 1.496 178 V CA -0.947 61.383 62.300 0.050 0.000 1.044 178 V CB -0.606 31.230 31.823 0.022 0.000 0.880 178 V HN 0.525 nan 8.190 nan 0.000 0.443 179 W N 3.147 124.376 121.300 -0.119 0.000 2.605 179 W HA 0.425 5.085 4.660 0.000 0.000 0.327 179 W C -0.145 176.302 176.519 -0.120 0.000 1.332 179 W CA 0.059 57.311 57.345 -0.154 0.000 1.403 179 W CB 0.592 29.984 29.460 -0.113 0.000 1.452 179 W HN 0.430 nan 8.180 nan 0.000 0.503 180 N N 5.900 124.309 118.700 -0.485 0.000 2.725 180 N HA 0.208 4.948 4.740 -0.000 0.000 0.248 180 N C -1.568 173.640 175.510 -0.503 0.000 1.402 180 N CA -0.235 52.578 53.050 -0.394 0.000 0.766 180 N CB 0.286 38.651 38.487 -0.204 0.000 1.223 180 N HN 0.135 nan 8.380 nan 0.000 0.515 181 V N -1.354 118.148 119.914 -0.687 0.000 3.141 181 V HA 0.586 4.706 4.120 -0.000 0.000 0.312 181 V C 0.896 176.754 176.094 -0.393 0.000 1.157 181 V CA -0.818 61.115 62.300 -0.612 0.000 1.041 181 V CB 1.294 32.534 31.823 -0.972 0.000 1.071 181 V HN -0.074 nan 8.190 nan 0.000 0.441 182 V N 1.004 120.746 119.914 -0.286 0.000 2.871 182 V HA 0.473 4.593 4.120 -0.000 0.000 0.256 182 V C 0.915 176.893 176.094 -0.193 0.000 1.082 182 V CA 1.900 64.076 62.300 -0.207 0.000 1.105 182 V CB -0.068 31.646 31.823 -0.183 0.000 0.713 182 V HN 1.359 nan 8.190 nan 0.000 0.473 183 G N -2.199 106.480 108.800 -0.202 0.000 2.708 183 G HA2 0.490 4.450 3.960 -0.000 0.000 0.289 183 G HA3 0.490 4.450 3.960 -0.000 0.000 0.289 183 G C -0.318 174.527 174.900 -0.091 0.000 1.416 183 G CA -0.462 44.550 45.100 -0.146 0.000 0.829 183 G HN 0.169 nan 8.290 nan 0.000 0.480 184 L N -0.591 120.607 121.223 -0.041 0.000 3.839 184 L HA -0.255 4.085 4.340 -0.000 0.000 0.416 184 L C 2.370 179.413 176.870 0.288 0.000 1.195 184 L CA 0.275 55.148 54.840 0.054 0.000 0.946 184 L CB -0.738 41.282 42.059 -0.064 0.000 1.891 184 L HN 0.709 nan 8.230 nan 0.000 0.963 185 R N 0.175 120.760 120.500 0.142 0.000 2.105 185 R HA -0.143 4.197 4.340 -0.000 0.000 0.239 185 R C 2.173 178.688 176.300 0.358 0.000 1.135 185 R CA 1.600 57.808 56.100 0.179 0.000 0.967 185 R CB -0.322 29.980 30.300 0.004 0.000 0.861 185 R HN 0.610 nan 8.270 nan 0.000 0.442 186 G N 0.300 109.232 108.800 0.220 0.000 2.559 186 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.216 186 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.216 186 G C 1.410 176.427 174.900 0.195 0.000 1.126 186 G CA 1.140 46.350 45.100 0.183 0.000 0.778 186 G HN 0.463 nan 8.290 nan 0.000 0.543 187 T N -2.075 112.611 114.554 0.220 0.000 3.035 187 T HA 0.244 4.593 4.350 -0.000 0.000 0.268 187 T C 1.909 176.550 174.700 -0.097 0.000 1.109 187 T CA 0.913 63.077 62.100 0.106 0.000 1.119 187 T CB -0.340 68.597 68.868 0.116 0.000 0.900 187 T HN 1.248 nan 8.240 nan 0.000 0.503 188 G N 1.288 109.959 108.800 -0.216 0.000 2.366 188 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.299 188 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.299 188 G C 0.160 174.725 174.900 -0.559 0.000 1.020 188 G CA 0.248 45.181 45.100 -0.279 0.000 1.026 188 G HN 0.626 nan 8.290 nan 0.000 0.512 189 S N 0.233 115.092 115.700 -1.402 0.000 4.183 189 S HA 0.213 4.683 4.470 -0.000 0.000 0.195 189 S C 1.032 175.246 174.600 -0.643 0.000 1.421 189 S CA -0.128 57.416 58.200 -1.093 0.000 0.920 189 S CB -0.114 62.147 63.200 -1.565 0.000 1.525 189 S HN 0.713 nan 8.310 nan 0.000 0.447 190 N N 0.701 119.233 118.700 -0.279 0.000 2.418 190 N HA 0.316 5.056 4.740 -0.000 0.000 0.283 190 N C -0.234 175.260 175.510 -0.028 0.000 1.267 190 N CA -0.296 52.702 53.050 -0.086 0.000 0.975 190 N CB 0.499 38.970 38.487 -0.027 0.000 1.167 190 N HN 0.114 nan 8.380 nan 0.000 0.581 191 T N 0.551 115.116 114.554 0.019 0.000 2.779 191 T HA 0.352 4.702 4.350 -0.000 0.000 0.280 191 T C -0.684 174.055 174.700 0.064 0.000 0.987 191 T CA -0.552 61.584 62.100 0.060 0.000 0.966 191 T CB 1.075 69.979 68.868 0.060 0.000 0.933 191 T HN 0.030 nan 8.240 nan 0.000 0.442 192 V N 4.644 124.603 119.914 0.075 0.000 2.348 192 V HA 0.324 4.444 4.120 -0.000 0.000 0.270 192 V C -0.022 176.145 176.094 0.120 0.000 1.037 192 V CA -0.591 61.709 62.300 -0.001 0.000 0.872 192 V CB 1.184 32.849 31.823 -0.263 0.000 1.002 192 V HN 0.685 nan 8.190 nan 0.000 0.464 193 V N 6.350 126.340 119.914 0.127 0.000 2.370 193 V HA 0.480 4.600 4.120 -0.000 0.000 0.283 193 V C -0.136 176.056 176.094 0.164 0.000 1.023 193 V CA -0.478 61.903 62.300 0.135 0.000 0.857 193 V CB 1.814 33.691 31.823 0.090 0.000 0.985 193 V HN 0.579 nan 8.190 nan 0.000 0.443 194 V N 4.904 124.923 119.914 0.174 0.000 2.444 194 V HA 0.488 4.608 4.120 -0.000 0.000 0.294 194 V C -0.335 175.817 176.094 0.098 0.000 1.022 194 V CA -0.607 61.793 62.300 0.167 0.000 0.850 194 V CB 1.835 33.806 31.823 0.247 0.000 0.992 194 V HN 0.944 nan 8.190 nan 0.000 0.426 195 E N 3.274 123.515 120.200 0.068 0.000 2.235 195 E HA 0.346 4.696 4.350 -0.000 0.000 0.252 195 E C -0.766 175.854 176.600 0.032 0.000 0.886 195 E CA -0.535 55.888 56.400 0.038 0.000 0.767 195 E CB 1.330 31.049 29.700 0.030 0.000 1.205 195 E HN 0.777 nan 8.360 nan 0.000 0.421 196 D N 1.751 122.167 120.400 0.026 0.000 2.699 196 D HA -0.163 4.477 4.640 -0.000 0.000 0.239 196 D C -1.360 174.969 176.300 0.048 0.000 1.136 196 D CA 0.504 54.523 54.000 0.031 0.000 0.668 196 D CB -0.679 40.137 40.800 0.026 0.000 1.060 196 D HN 0.144 nan 8.370 nan 0.000 0.429 197 V N 1.941 121.881 119.914 0.044 0.000 2.427 197 V HA 0.438 4.558 4.120 -0.000 0.000 0.286 197 V C 0.466 176.611 176.094 0.085 0.000 1.034 197 V CA -0.906 61.430 62.300 0.059 0.000 0.893 197 V CB 1.294 33.135 31.823 0.030 0.000 0.982 197 V HN 0.257 nan 8.190 nan 0.000 0.452 198 F N 6.211 126.160 119.950 -0.001 0.000 2.467 198 F HA 0.533 5.060 4.527 -0.000 0.000 0.362 198 F C -0.124 175.695 175.800 0.032 0.000 1.090 198 F CA -0.141 57.869 58.000 0.016 0.000 1.202 198 F CB 0.907 39.914 39.000 0.011 0.000 1.113 198 F HN 0.230 nan 8.300 nan 0.000 0.541 199 V N 8.779 128.239 119.914 -0.757 0.000 2.407 199 V HA 0.362 4.482 4.120 -0.000 0.000 0.291 199 V C -2.102 173.499 176.094 -0.821 0.000 1.018 199 V CA -1.796 60.169 62.300 -0.558 0.000 0.842 199 V CB 1.434 33.162 31.823 -0.158 0.000 0.996 199 V HN 0.654 nan 8.190 nan 0.000 0.426 200 P HA 0.149 nan 4.420 nan 0.000 0.274 200 P C 0.952 178.170 177.300 -0.136 0.000 1.231 200 P CA 0.006 62.884 63.100 -0.369 0.000 0.790 200 P CB 0.975 32.654 31.700 -0.034 0.000 0.951 201 T N 1.034 115.605 114.554 0.030 0.000 2.649 201 T HA -0.241 4.109 4.350 -0.000 0.000 0.268 201 T C 1.611 176.362 174.700 0.085 0.000 1.036 201 T CA 2.136 64.311 62.100 0.125 0.000 1.157 201 T CB -1.151 67.777 68.868 0.100 0.000 0.861 201 T HN 0.656 nan 8.240 nan 0.000 0.445 202 H N 0.868 119.970 119.070 0.054 0.000 2.545 202 H HA 0.085 4.641 4.556 -0.000 0.000 0.282 202 H C 1.522 176.880 175.328 0.050 0.000 1.020 202 H CA 0.772 56.839 56.048 0.032 0.000 1.243 202 H CB -0.240 29.535 29.762 0.022 0.000 1.377 202 H HN 0.309 nan 8.280 nan 0.000 0.581 203 R N 1.034 121.314 120.500 -0.366 0.000 2.515 203 R HA 0.312 4.652 4.340 -0.000 0.000 0.294 203 R C -0.588 175.734 176.300 0.037 0.000 1.021 203 R CA -0.117 55.865 56.100 -0.196 0.000 1.081 203 R CB 1.003 31.101 30.300 -0.338 0.000 1.263 203 R HN 0.034 nan 8.270 nan 0.000 0.557 204 V N 1.642 121.533 119.914 -0.038 0.000 2.588 204 V HA 0.360 4.480 4.120 -0.000 0.000 0.304 204 V C -1.049 174.760 176.094 -0.476 0.000 1.042 204 V CA -1.011 61.147 62.300 -0.237 0.000 0.877 204 V CB 2.211 33.854 31.823 -0.300 0.000 0.996 204 V HN 0.005 nan 8.190 nan 0.000 0.425 205 L N 3.950 124.689 121.223 -0.806 0.000 2.406 205 L HA 0.678 5.018 4.340 -0.000 0.000 0.272 205 L C 0.016 176.422 176.870 -0.773 0.000 0.980 205 L CA 0.158 54.428 54.840 -0.950 0.000 0.831 205 L CB 2.123 43.159 42.059 -1.704 0.000 1.253 205 L HN 0.690 nan 8.230 nan 0.000 0.406 206 S N 3.459 118.847 115.700 -0.520 0.000 2.548 206 S HA 0.271 4.741 4.470 -0.000 0.000 0.277 206 S C 1.109 175.495 174.600 -0.356 0.000 1.315 206 S CA -0.104 57.884 58.200 -0.354 0.000 1.050 206 S CB 0.228 63.322 63.200 -0.176 0.000 0.918 206 S HN 0.511 nan 8.310 nan 0.000 0.497 207 F N 3.335 123.201 119.950 -0.140 0.000 2.216 207 F HA 0.026 4.553 4.527 0.000 0.000 0.300 207 F C 2.284 178.041 175.800 -0.072 0.000 1.085 207 F CA 1.090 59.008 58.000 -0.137 0.000 1.326 207 F CB -0.290 38.660 39.000 -0.083 0.000 1.027 207 F HN 0.505 nan 8.300 nan 0.000 0.497 208 K N 1.135 121.607 120.400 0.120 0.000 2.057 208 K HA 0.012 4.332 4.320 -0.000 0.000 0.207 208 K C 1.186 177.795 176.600 0.016 0.000 1.049 208 K CA 0.892 57.220 56.287 0.069 0.000 0.931 208 K CB -0.650 31.883 32.500 0.056 0.000 0.714 208 K HN 0.127 nan 8.250 nan 0.000 0.440 212 N N 2.157 120.886 118.700 0.048 0.000 2.461 212 N HA 0.357 5.097 4.740 -0.000 0.000 0.188 212 N C 0.552 176.079 175.510 0.028 0.000 1.134 212 N CA 0.633 53.702 53.050 0.031 0.000 0.878 212 N CB -0.470 38.024 38.487 0.012 0.000 0.972 212 N HN 0.600 nan 8.380 nan 0.000 0.456 213 L N -0.267 120.978 121.223 0.037 0.000 4.001 213 L HA -0.257 4.083 4.340 -0.000 0.000 0.413 213 L C 0.669 177.541 176.870 0.004 0.000 1.185 213 L CA 1.059 55.918 54.840 0.032 0.000 0.963 213 L CB -2.388 39.700 42.059 0.048 0.000 1.976 213 L HN 0.266 nan 8.230 nan 0.000 0.939 214 T N -3.873 110.671 114.554 -0.016 0.000 3.092 214 T HA 0.587 4.937 4.350 -0.000 0.000 0.258 214 T C 0.875 175.535 174.700 -0.067 0.000 1.031 214 T CA 0.275 62.355 62.100 -0.033 0.000 0.925 214 T CB 0.417 69.267 68.868 -0.030 0.000 1.036 214 T HN 0.466 nan 8.240 nan 0.000 0.544 215 A N 3.598 126.365 122.820 -0.090 0.000 2.540 215 A HA 0.407 4.727 4.320 -0.000 0.000 0.239 215 A C -0.459 177.052 177.584 -0.121 0.000 1.061 215 A CA -1.062 50.887 52.037 -0.148 0.000 0.758 215 A CB 0.246 19.132 19.000 -0.191 0.000 0.991 215 A HN 0.288 nan 8.150 nan 0.000 0.502 216 P HA -0.096 nan 4.420 nan 0.000 0.223 216 P C 1.441 178.697 177.300 -0.072 0.000 1.151 216 P CA 1.647 64.697 63.100 -0.083 0.000 0.787 216 P CB -0.028 31.628 31.700 -0.073 0.000 0.788 217 G N 0.379 109.120 108.800 -0.097 0.000 2.471 217 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.219 217 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.219 217 G C 1.546 176.383 174.900 -0.105 0.000 1.125 217 G CA 0.109 45.153 45.100 -0.094 0.000 0.775 217 G HN 0.239 nan 8.290 nan 0.000 0.548 218 L N 0.096 121.264 121.223 -0.091 0.000 2.362 218 L HA -0.003 4.337 4.340 -0.000 0.000 0.219 218 L C 2.591 179.445 176.870 -0.025 0.000 1.134 218 L CA 0.916 55.727 54.840 -0.049 0.000 0.807 218 L CB -0.210 41.836 42.059 -0.023 0.000 0.927 218 L HN 0.365 nan 8.230 nan 0.000 0.447 219 E N 0.739 120.919 120.200 -0.033 0.000 2.051 219 E HA -0.207 4.143 4.350 -0.000 0.000 0.192 219 E C 2.239 178.826 176.600 -0.023 0.000 0.991 219 E CA 1.188 57.574 56.400 -0.023 0.000 0.799 219 E CB 0.201 29.886 29.700 -0.024 0.000 0.748 219 E HN 0.437 nan 8.360 nan 0.000 0.449 220 R N -0.341 120.139 120.500 -0.034 0.000 2.175 220 R HA 0.126 4.466 4.340 -0.000 0.000 0.202 220 R C 0.180 176.454 176.300 -0.043 0.000 1.018 220 R CA 0.033 56.107 56.100 -0.044 0.000 1.029 220 R CB 0.223 30.488 30.300 -0.058 0.000 0.959 220 R HN 0.023 nan 8.270 nan 0.000 0.480 221 N N 1.720 120.387 118.700 -0.055 0.000 2.719 221 N HA 0.012 4.752 4.740 -0.000 0.000 0.243 221 N C 0.330 175.888 175.510 0.079 0.000 1.104 221 N CA 0.248 53.267 53.050 -0.051 0.000 0.981 221 N CB 1.462 39.774 38.487 -0.293 0.000 1.290 221 N HN 0.182 nan 8.380 nan 0.000 0.513 222 T N -2.576 112.043 114.554 0.108 0.000 3.107 222 T HA 0.237 4.587 4.350 -0.000 0.000 0.249 222 T C 0.909 175.705 174.700 0.159 0.000 1.096 222 T CA -0.478 61.689 62.100 0.111 0.000 1.012 222 T CB 0.205 69.107 68.868 0.056 0.000 0.977 222 T HN 0.307 nan 8.240 nan 0.000 0.527 223 A N 3.502 126.469 122.820 0.246 0.000 2.531 223 A HA 0.404 4.724 4.320 -0.000 0.000 0.236 223 A C -0.410 177.251 177.584 0.128 0.000 1.062 223 A CA -1.169 50.970 52.037 0.171 0.000 0.760 223 A CB 0.237 19.327 19.000 0.150 0.000 0.995 223 A HN 0.254 nan 8.150 nan 0.000 0.501 224 P HA -0.133 nan 4.420 nan 0.000 0.220 224 P C 1.460 178.884 177.300 0.206 0.000 1.148 224 P CA 1.174 64.334 63.100 0.100 0.000 0.803 224 P CB -0.022 31.650 31.700 -0.047 0.000 0.782 225 V N -0.711 119.320 119.914 0.194 0.000 2.568 225 V HA -0.226 3.894 4.120 -0.000 0.000 0.253 225 V C 1.858 178.067 176.094 0.192 0.000 1.072 225 V CA 1.713 64.094 62.300 0.135 0.000 1.084 225 V CB -1.392 30.332 31.823 -0.165 0.000 0.676 225 V HN -0.020 nan 8.190 nan 0.000 0.469 226 Y N 0.605 121.081 120.300 0.292 0.000 2.578 226 Y HA 0.210 4.760 4.550 -0.000 0.000 0.297 226 Y C 1.486 177.481 175.900 0.159 0.000 1.176 226 Y CA 0.014 58.156 58.100 0.069 0.000 1.315 226 Y CB -0.404 37.956 38.460 -0.166 0.000 1.031 226 Y HN 0.300 nan 8.280 nan 0.000 0.524 230 W N 2.673 124.062 121.300 0.148 0.000 2.325 230 W HA -0.132 4.528 4.660 -0.000 0.000 0.299 230 W C 1.311 177.819 176.519 -0.018 0.000 1.215 230 W CA 2.057 59.438 57.345 0.060 0.000 1.244 230 W CB -0.269 29.284 29.460 0.155 0.000 1.140 230 W HN 0.695 nan 8.180 nan 0.000 0.523 231 G N -0.263 108.569 108.800 0.054 0.000 2.470 231 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.220 231 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.220 231 G C 1.335 176.119 174.900 -0.192 0.000 1.121 231 G CA 1.494 46.535 45.100 -0.098 0.000 0.766 231 G HN 0.287 nan 8.290 nan 0.000 0.553 232 T N 0.900 115.355 114.554 -0.166 0.000 2.953 232 T HA 0.121 4.471 4.350 -0.000 0.000 0.247 232 T C 2.376 176.888 174.700 -0.313 0.000 1.029 232 T CA 0.122 62.091 62.100 -0.218 0.000 1.144 232 T CB 0.033 68.817 68.868 -0.140 0.000 0.870 232 T HN 0.044 nan 8.240 nan 0.000 0.446 233 I N 1.366 121.735 120.570 -0.335 0.000 2.163 233 I HA -0.173 3.997 4.170 -0.000 0.000 0.243 233 I C 2.426 178.252 176.117 -0.484 0.000 1.085 233 I CA 1.904 62.955 61.300 -0.415 0.000 1.347 233 I CB -0.998 36.540 38.000 -0.771 0.000 1.044 233 I HN 0.333 nan 8.210 nan 0.000 0.408 234 H N 1.678 120.171 119.070 -0.962 0.000 2.307 234 H HA -0.025 4.531 4.556 -0.000 0.000 0.303 234 H C -0.812 174.148 175.328 -0.613 0.000 1.073 234 H CA 1.445 56.870 56.048 -1.038 0.000 1.338 234 H CB -1.310 27.269 29.762 -1.972 0.000 1.389 234 H HN 0.072 nan 8.280 nan 0.000 0.503 235 P HA -0.104 nan 4.420 nan 0.000 0.216 235 P C 1.362 178.359 177.300 -0.505 0.000 1.150 235 P CA 2.174 64.914 63.100 -0.600 0.000 0.837 235 P CB -0.059 31.396 31.700 -0.409 0.000 0.786 236 T N -1.723 112.535 114.554 -0.493 0.000 2.867 236 T HA -0.122 4.228 4.350 -0.000 0.000 0.268 236 T C 1.840 176.240 174.700 -0.500 0.000 1.057 236 T CA 1.654 63.403 62.100 -0.585 0.000 1.136 236 T CB -1.187 67.159 68.868 -0.870 0.000 0.874 236 T HN 0.155 nan 8.240 nan 0.000 0.466 237 T N 1.662 116.050 114.554 -0.276 0.000 2.929 237 T HA -0.015 4.335 4.350 -0.000 0.000 0.271 237 T C 1.664 176.183 174.700 -0.301 0.000 1.085 237 T CA 0.585 62.663 62.100 -0.037 0.000 1.125 237 T CB -0.202 68.725 68.868 0.100 0.000 0.874 237 T HN 0.192 nan 8.240 nan 0.000 0.494 238 I N 0.279 120.553 120.570 -0.493 0.000 2.585 238 I HA 0.063 4.233 4.170 -0.000 0.000 0.254 238 I C 2.471 178.448 176.117 -0.233 0.000 1.129 238 I CA 0.881 61.839 61.300 -0.569 0.000 1.455 238 I CB -1.111 36.423 38.000 -0.777 0.000 1.111 238 I HN 0.137 nan 8.210 nan 0.000 0.433 239 S N 1.206 116.777 115.700 -0.215 0.000 2.395 239 S HA 0.054 4.524 4.470 -0.000 0.000 0.225 239 S C 2.273 176.859 174.600 -0.022 0.000 1.027 239 S CA 0.946 59.087 58.200 -0.098 0.000 0.965 239 S CB -0.114 62.998 63.200 -0.146 0.000 0.812 239 S HN 0.460 nan 8.310 nan 0.000 0.482 240 A N 2.823 125.609 122.820 -0.057 0.000 1.892 240 A HA -0.082 4.238 4.320 -0.000 0.000 0.218 240 A C 0.038 177.679 177.584 0.096 0.000 1.188 240 A CA 1.692 53.776 52.037 0.077 0.000 0.631 240 A CB -1.781 17.290 19.000 0.119 0.000 0.822 240 A HN 0.451 nan 8.150 nan 0.000 0.447 241 P HA -0.091 nan 4.420 nan 0.000 0.219 241 P C 1.477 178.885 177.300 0.181 0.000 1.150 241 P CA 0.946 64.128 63.100 0.138 0.000 0.814 241 P CB -0.184 31.646 31.700 0.217 0.000 0.787 242 I N -0.711 119.975 120.570 0.192 0.000 2.252 242 I HA -0.171 3.999 4.170 -0.000 0.000 0.245 242 I C 2.494 178.667 176.117 0.093 0.000 1.102 242 I CA 1.041 62.429 61.300 0.146 0.000 1.385 242 I CB -0.859 37.217 38.000 0.126 0.000 1.064 242 I HN -0.211 nan 8.210 nan 0.000 0.414 243 V N 1.239 121.217 119.914 0.107 0.000 2.282 243 V HA -0.200 3.920 4.120 -0.000 0.000 0.249 243 V C 1.754 177.950 176.094 0.170 0.000 1.057 243 V CA 1.666 64.051 62.300 0.142 0.000 1.032 243 V CB -1.616 30.360 31.823 0.255 0.000 0.645 243 V HN 0.542 nan 8.190 nan 0.000 0.447 247 Y N 1.305 121.489 120.300 -0.194 0.000 2.165 247 Y HA -0.066 4.484 4.550 0.000 0.000 0.286 247 Y C 2.722 178.514 175.900 -0.179 0.000 1.155 247 Y CA 2.326 60.331 58.100 -0.159 0.000 1.164 247 Y CB -0.341 37.999 38.460 -0.200 0.000 0.978 247 Y HN 0.421 nan 8.280 nan 0.000 0.513 248 G N -0.798 107.849 108.800 -0.256 0.000 2.402 248 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.216 248 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.216 248 G C 1.900 176.448 174.900 -0.585 0.000 1.162 248 G CA 0.925 45.735 45.100 -0.484 0.000 0.777 248 G HN 0.477 nan 8.290 nan 0.000 0.539 249 A N 0.031 122.340 122.820 -0.851 0.000 1.877 249 A HA -0.061 4.259 4.320 -0.000 0.000 0.216 249 A C 2.210 179.793 177.584 -0.002 0.000 1.186 249 A CA 1.759 53.629 52.037 -0.278 0.000 0.620 249 A CB -0.757 18.159 19.000 -0.141 0.000 0.822 249 A HN 0.470 nan 8.150 nan 0.000 0.443 250 Y N 1.143 121.373 120.300 -0.117 0.000 2.097 250 Y HA -0.252 4.298 4.550 -0.000 0.000 0.282 250 Y C 1.954 177.884 175.900 0.050 0.000 1.152 250 Y CA 2.234 60.320 58.100 -0.024 0.000 1.136 250 Y CB -0.215 38.181 38.460 -0.106 0.000 0.975 250 Y HN 0.354 nan 8.280 nan 0.000 0.498 251 D N -0.012 120.441 120.400 0.089 0.000 2.117 251 D HA -0.164 4.476 4.640 -0.000 0.000 0.197 251 D C 2.277 178.581 176.300 0.006 0.000 0.987 251 D CA 1.446 55.471 54.000 0.041 0.000 0.829 251 D CB -0.622 40.242 40.800 0.108 0.000 0.961 251 D HN 0.488 nan 8.370 nan 0.000 0.460 252 A N 0.303 123.165 122.820 0.071 0.000 1.877 252 A HA -0.235 4.085 4.320 -0.000 0.000 0.216 252 A C 2.073 179.718 177.584 0.100 0.000 1.186 252 A CA 2.020 54.132 52.037 0.124 0.000 0.620 252 A CB -0.915 18.229 19.000 0.239 0.000 0.822 252 A HN 0.340 nan 8.150 nan 0.000 0.443 253 H N -0.346 118.710 119.070 -0.023 0.000 2.321 253 H HA -0.078 4.478 4.556 -0.000 0.000 0.300 253 H C 1.819 177.089 175.328 -0.095 0.000 1.087 253 H CA 2.149 58.172 56.048 -0.042 0.000 1.319 253 H CB -0.245 29.470 29.762 -0.079 0.000 1.379 253 H HN 0.111 nan 8.280 nan 0.000 0.501 254 V N 0.794 120.542 119.914 -0.276 0.000 2.407 254 V HA -0.214 3.906 4.120 -0.000 0.000 0.248 254 V C 2.427 178.404 176.094 -0.194 0.000 1.055 254 V CA 2.129 64.231 62.300 -0.330 0.000 1.049 254 V CB -0.556 31.010 31.823 -0.429 0.000 0.662 254 V HN 0.574 nan 8.190 nan 0.000 0.455 255 E N -0.034 120.103 120.200 -0.106 0.000 2.051 255 E HA -0.319 4.031 4.350 -0.000 0.000 0.192 255 E C 2.216 178.787 176.600 -0.047 0.000 0.991 255 E CA 1.940 58.311 56.400 -0.050 0.000 0.799 255 E CB -0.212 29.490 29.700 0.004 0.000 0.748 255 E HN 0.791 nan 8.360 nan 0.000 0.449 256 H N -0.108 118.895 119.070 -0.112 0.000 2.326 256 H HA -0.061 4.495 4.556 -0.000 0.000 0.301 256 H C 2.183 177.421 175.328 -0.149 0.000 1.081 256 H CA 2.044 58.031 56.048 -0.102 0.000 1.334 256 H CB 0.145 29.864 29.762 -0.070 0.000 1.385 256 H HN 0.119 nan 8.280 nan 0.000 0.504 257 Q N -0.194 119.478 119.800 -0.213 0.000 2.119 257 Q HA -0.050 4.290 4.340 -0.000 0.000 0.201 257 Q C 2.633 178.499 176.000 -0.223 0.000 0.972 257 Q CA 1.178 56.818 55.803 -0.271 0.000 0.847 257 Q CB -0.849 27.642 28.738 -0.412 0.000 0.903 257 Q HN 0.660 nan 8.270 nan 0.000 0.433 258 G N 1.479 110.163 108.800 -0.194 0.000 2.440 258 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.218 258 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.218 258 G C 1.537 176.350 174.900 -0.145 0.000 1.154 258 G CA 0.865 45.880 45.100 -0.143 0.000 0.767 258 G HN 0.300 nan 8.290 nan 0.000 0.552 259 K N 0.043 120.340 120.400 -0.170 0.000 2.026 259 K HA -0.052 4.268 4.320 -0.000 0.000 0.208 259 K C 2.785 179.270 176.600 -0.192 0.000 1.048 259 K CA 1.003 57.186 56.287 -0.173 0.000 0.929 259 K CB -0.180 32.208 32.500 -0.186 0.000 0.713 259 K HN 0.190 nan 8.250 nan 0.000 0.439 260 R N 0.555 120.907 120.500 -0.246 0.000 2.080 260 R HA -0.140 4.200 4.340 -0.000 0.000 0.236 260 R C 2.537 178.753 176.300 -0.139 0.000 1.137 260 R CA 1.861 57.842 56.100 -0.199 0.000 0.943 260 R CB -0.776 29.399 30.300 -0.209 0.000 0.846 260 R HN 0.221 nan 8.270 nan 0.000 0.431 261 V N -0.840 118.997 119.914 -0.129 0.000 2.427 261 V HA -0.160 3.960 4.120 -0.000 0.000 0.248 261 V C 2.041 178.069 176.094 -0.110 0.000 1.051 261 V CA 1.465 63.706 62.300 -0.099 0.000 1.048 261 V CB -0.527 31.246 31.823 -0.083 0.000 0.666 261 V HN 0.183 nan 8.190 nan 0.000 0.456 262 R N 0.785 121.212 120.500 -0.121 0.000 2.115 262 R HA 0.209 4.549 4.340 -0.000 0.000 0.226 262 R C 2.409 178.606 176.300 -0.171 0.000 1.100 262 R CA 1.257 57.281 56.100 -0.126 0.000 0.980 262 R CB -0.493 29.743 30.300 -0.108 0.000 0.875 262 R HN 0.619 nan 8.270 nan 0.000 0.445 263 A N 1.154 123.865 122.820 -0.181 0.000 2.119 263 A HA 0.226 4.546 4.320 -0.000 0.000 0.216 263 A C 1.120 178.503 177.584 -0.336 0.000 1.152 263 A CA 0.494 52.389 52.037 -0.236 0.000 0.708 263 A CB -0.087 18.812 19.000 -0.167 0.000 0.805 263 A HN 0.323 nan 8.150 nan 0.000 0.460 264 A N -0.841 121.841 122.820 -0.230 0.000 2.366 264 A HA 0.543 4.863 4.320 -0.000 0.000 0.250 264 A C -0.248 177.164 177.584 -0.286 0.000 1.099 264 A CA 0.017 51.961 52.037 -0.154 0.000 0.794 264 A CB -0.100 18.871 19.000 -0.049 0.000 1.056 264 A HN 0.280 nan 8.150 nan 0.000 0.499 265 F N -1.008 118.929 119.950 -0.021 0.000 2.497 265 F HA 0.522 5.049 4.527 -0.000 0.000 0.331 265 F C 1.621 177.412 175.800 -0.015 0.000 1.060 265 F CA 0.241 58.231 58.000 -0.017 0.000 0.989 265 F CB 1.394 40.385 39.000 -0.015 0.000 1.245 265 F HN 0.687 nan 8.300 nan 0.000 0.486 266 A N 1.335 124.271 122.820 0.194 0.000 1.909 266 A HA -0.215 4.105 4.320 -0.000 0.000 0.221 266 A C 2.070 179.698 177.584 0.072 0.000 1.223 266 A CA 2.413 54.508 52.037 0.096 0.000 0.658 266 A CB -1.551 17.500 19.000 0.084 0.000 0.831 266 A HN 0.973 nan 8.150 nan 0.000 0.462 267 G N -0.950 107.899 108.800 0.082 0.000 3.189 267 G HA2 0.331 4.291 3.960 -0.000 0.000 0.225 267 G HA3 0.331 4.291 3.960 -0.000 0.000 0.225 267 G C 0.223 175.154 174.900 0.051 0.000 1.159 267 G CA -0.177 44.954 45.100 0.051 0.000 0.763 267 G HN 0.620 nan 8.290 nan 0.000 0.549 268 E N 0.009 120.252 120.200 0.072 0.000 2.366 268 E HA 0.382 4.732 4.350 -0.000 0.000 0.266 268 E C 1.536 178.162 176.600 0.043 0.000 1.051 268 E CA 0.074 56.513 56.400 0.064 0.000 0.884 268 E CB 0.973 30.729 29.700 0.093 0.000 1.006 268 E HN 0.147 nan 8.360 nan 0.000 0.417 269 K N 1.973 122.395 120.400 0.037 0.000 2.074 269 K HA -0.203 4.117 4.320 -0.000 0.000 0.209 269 K C 1.989 178.608 176.600 0.032 0.000 1.048 269 K CA 2.049 58.358 56.287 0.036 0.000 0.926 269 K CB -1.117 31.404 32.500 0.035 0.000 0.713 269 K HN 0.591 nan 8.250 nan 0.000 0.444 270 A N 0.638 123.472 122.820 0.023 0.000 2.070 270 A HA -0.063 4.257 4.320 -0.000 0.000 0.220 270 A C 2.263 179.844 177.584 -0.006 0.000 1.159 270 A CA 2.185 54.225 52.037 0.006 0.000 0.656 270 A CB -0.255 18.741 19.000 -0.008 0.000 0.800 270 A HN 0.547 nan 8.150 nan 0.000 0.453 271 K N -0.138 120.263 120.400 0.001 0.000 2.228 271 K HA 0.045 4.365 4.320 -0.000 0.000 0.202 271 K C 0.423 177.017 176.600 -0.011 0.000 1.051 271 K CA 1.493 57.773 56.287 -0.012 0.000 0.960 271 K CB -0.136 32.362 32.500 -0.003 0.000 0.743 271 K HN 0.401 nan 8.250 nan 0.000 0.458 272 D N 0.773 121.173 120.400 0.001 0.000 2.735 272 D HA 0.113 4.753 4.640 -0.000 0.000 0.291 272 D C -1.401 174.901 176.300 0.004 0.000 1.205 272 D CA -0.537 53.460 54.000 -0.006 0.000 0.777 272 D CB 0.175 40.971 40.800 -0.005 0.000 1.234 272 D HN 0.178 nan 8.370 nan 0.000 0.520 273 D N 1.533 121.939 120.400 0.009 0.000 2.473 273 D HA 0.262 4.902 4.640 -0.000 0.000 0.226 273 D C -1.382 174.913 176.300 -0.008 0.000 1.089 273 D CA -2.244 51.781 54.000 0.041 0.000 0.883 273 D CB 2.300 43.145 40.800 0.075 0.000 1.029 273 D HN 0.158 nan 8.370 nan 0.000 0.517 274 P HA -0.066 nan 4.420 nan 0.000 0.222 274 P C 1.353 178.496 177.300 -0.261 0.000 1.153 274 P CA 0.496 63.452 63.100 -0.239 0.000 0.798 274 P CB 0.102 31.561 31.700 -0.402 0.000 0.796 275 F N 1.275 121.231 119.950 0.010 0.000 2.186 275 F HA -0.019 4.508 4.527 0.000 0.000 0.299 275 F C 2.725 178.538 175.800 0.022 0.000 1.090 275 F CA 1.231 59.239 58.000 0.012 0.000 1.307 275 F CB -1.599 37.404 39.000 0.006 0.000 1.019 275 F HN -0.069 nan 8.300 nan 0.000 0.489 276 A N 0.221 123.154 122.820 0.188 0.000 1.933 276 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 276 A C 2.215 179.866 177.584 0.110 0.000 1.175 276 A CA 1.617 53.739 52.037 0.142 0.000 0.628 276 A CB -0.611 18.458 19.000 0.114 0.000 0.814 276 A HN 0.337 nan 8.150 nan 0.000 0.444 277 K N -0.490 119.946 120.400 0.059 0.000 2.057 277 K HA -0.065 4.255 4.320 -0.000 0.000 0.207 277 K C 1.845 178.474 176.600 0.048 0.000 1.049 277 K CA 1.397 57.707 56.287 0.038 0.000 0.931 277 K CB -0.370 32.126 32.500 -0.006 0.000 0.714 277 K HN 0.292 nan 8.250 nan 0.000 0.440 278 V N 1.731 121.665 119.914 0.034 0.000 2.343 278 V HA -0.227 3.893 4.120 -0.000 0.000 0.247 278 V C 2.280 178.419 176.094 0.075 0.000 1.051 278 V CA 1.556 63.882 62.300 0.042 0.000 1.036 278 V CB -0.439 31.405 31.823 0.035 0.000 0.654 278 V HN 0.275 nan 8.190 nan 0.000 0.451 279 R N -0.252 120.307 120.500 0.098 0.000 2.096 279 R HA -0.053 4.287 4.340 -0.000 0.000 0.235 279 R C 2.163 178.526 176.300 0.105 0.000 1.127 279 R CA 1.486 57.639 56.100 0.089 0.000 0.968 279 R CB -0.832 29.515 30.300 0.078 0.000 0.861 279 R HN 0.448 nan 8.270 nan 0.000 0.440 280 I N 0.841 121.498 120.570 0.144 0.000 2.226 280 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 280 I C 2.518 178.765 176.117 0.218 0.000 1.100 280 I CA 1.391 62.830 61.300 0.233 0.000 1.374 280 I CB -0.333 37.790 38.000 0.205 0.000 1.057 280 I HN 0.114 nan 8.210 nan 0.000 0.413 281 A N 0.293 123.184 122.820 0.119 0.000 1.873 281 A HA -0.224 4.096 4.320 -0.000 0.000 0.215 281 A C 2.189 179.791 177.584 0.031 0.000 1.186 281 A CA 1.681 53.757 52.037 0.065 0.000 0.616 281 A CB -0.593 18.430 19.000 0.039 0.000 0.823 281 A HN 0.430 nan 8.150 nan 0.000 0.442 282 E N -0.167 120.056 120.200 0.037 0.000 2.058 282 E HA -0.138 4.212 4.350 -0.000 0.000 0.194 282 E C 2.349 178.945 176.600 -0.006 0.000 0.997 282 E CA 1.090 57.499 56.400 0.016 0.000 0.801 282 E CB -0.323 29.395 29.700 0.029 0.000 0.746 282 E HN 0.608 nan 8.360 nan 0.000 0.450 283 A N 1.455 124.287 122.820 0.020 0.000 1.877 283 A HA -0.221 4.099 4.320 -0.000 0.000 0.216 283 A C 2.380 179.876 177.584 -0.147 0.000 1.186 283 A CA 2.107 54.139 52.037 -0.009 0.000 0.620 283 A CB -0.784 18.270 19.000 0.091 0.000 0.822 283 A HN 0.341 nan 8.150 nan 0.000 0.443 284 S N -0.602 114.968 115.700 -0.217 0.000 2.368 284 S HA -0.170 4.300 4.470 -0.000 0.000 0.225 284 S C 2.159 176.574 174.600 -0.309 0.000 1.030 284 S CA 1.766 59.642 58.200 -0.540 0.000 0.999 284 S CB -0.832 62.010 63.200 -0.597 0.000 0.844 284 S HN 0.558 nan 8.310 nan 0.000 0.459 285 S N 1.706 117.310 115.700 -0.160 0.000 2.368 285 S HA -0.127 4.343 4.470 -0.000 0.000 0.224 285 S C 1.498 176.039 174.600 -0.098 0.000 1.029 285 S CA 1.396 59.534 58.200 -0.104 0.000 0.988 285 S CB -0.786 62.380 63.200 -0.056 0.000 0.838 285 S HN 0.555 nan 8.310 nan 0.000 0.462 286 D N 1.098 121.440 120.400 -0.098 0.000 2.183 286 D HA 0.039 4.679 4.640 -0.000 0.000 0.203 286 D C 1.855 178.095 176.300 -0.100 0.000 0.969 286 D CA 0.792 54.746 54.000 -0.077 0.000 0.842 286 D CB -0.326 40.442 40.800 -0.054 0.000 0.957 286 D HN 0.455 nan 8.370 nan 0.000 0.484 287 I N 0.820 121.278 120.570 -0.185 0.000 2.179 287 I HA -0.259 3.911 4.170 -0.000 0.000 0.242 287 I C 2.121 178.137 176.117 -0.168 0.000 1.088 287 I CA 1.259 62.398 61.300 -0.268 0.000 1.357 287 I CB -0.135 37.524 38.000 -0.568 0.000 1.051 287 I HN -0.094 nan 8.210 nan 0.000 0.409 288 D N 0.851 121.157 120.400 -0.157 0.000 2.117 288 D HA -0.184 4.456 4.640 -0.000 0.000 0.197 288 D C 2.176 178.526 176.300 0.082 0.000 0.987 288 D CA 1.444 55.459 54.000 0.025 0.000 0.829 288 D CB 0.080 40.872 40.800 -0.014 0.000 0.961 288 D HN 0.305 nan 8.370 nan 0.000 0.460 289 A N 0.561 123.386 122.820 0.009 0.000 1.902 289 A HA 0.000 4.320 4.320 -0.000 0.000 0.217 289 A C 2.409 179.999 177.584 0.009 0.000 1.181 289 A CA 2.188 54.226 52.037 0.001 0.000 0.623 289 A CB -1.218 17.766 19.000 -0.026 0.000 0.818 289 A HN 0.347 nan 8.150 nan 0.000 0.443 290 A N -1.126 121.708 122.820 0.023 0.000 1.873 290 A HA -0.244 4.076 4.320 -0.000 0.000 0.218 290 A C 2.178 179.817 177.584 0.090 0.000 1.193 290 A CA 1.560 53.619 52.037 0.036 0.000 0.629 290 A CB -1.078 17.948 19.000 0.044 0.000 0.826 290 A HN 0.872 nan 8.150 nan 0.000 0.447 291 W N 0.611 121.914 121.300 0.005 0.000 2.358 291 W HA -0.167 4.493 4.660 -0.000 0.000 0.303 291 W C 2.344 178.863 176.519 -0.002 0.000 1.208 291 W CA 1.684 59.050 57.345 0.034 0.000 1.274 291 W CB -0.245 29.306 29.460 0.152 0.000 1.138 291 W HN 0.340 nan 8.180 nan 0.000 0.515 292 R N 0.052 120.528 120.500 -0.040 0.000 2.091 292 R HA -0.218 4.122 4.340 -0.000 0.000 0.238 292 R C 2.400 178.566 176.300 -0.225 0.000 1.136 292 R CA 2.153 58.166 56.100 -0.145 0.000 0.959 292 R CB -0.640 29.643 30.300 -0.028 0.000 0.856 292 R HN 0.379 nan 8.270 nan 0.000 0.437 293 Q N 0.117 119.812 119.800 -0.174 0.000 2.049 293 Q HA -0.127 4.213 4.340 -0.000 0.000 0.198 293 Q C 2.197 178.041 176.000 -0.261 0.000 0.971 293 Q CA 0.925 56.618 55.803 -0.183 0.000 0.833 293 Q CB -0.113 28.544 28.738 -0.136 0.000 0.896 293 Q HN 0.178 nan 8.270 nan 0.000 0.434 294 L N 0.982 122.018 121.223 -0.312 0.000 2.017 294 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 294 L C 2.466 179.009 176.870 -0.545 0.000 1.073 294 L CA 2.235 56.841 54.840 -0.390 0.000 0.745 294 L CB -0.566 41.292 42.059 -0.334 0.000 0.894 294 L HN 0.228 nan 8.230 nan 0.000 0.432 295 S N -1.399 113.802 115.700 -0.832 0.000 2.406 295 S HA -0.029 4.441 4.470 -0.000 0.000 0.228 295 S C 2.107 176.464 174.600 -0.405 0.000 1.020 295 S CA 0.570 58.294 58.200 -0.792 0.000 0.965 295 S CB -1.348 61.052 63.200 -1.333 0.000 0.798 295 S HN 0.464 nan 8.310 nan 0.000 0.488 296 G N 2.122 110.716 108.800 -0.345 0.000 2.421 296 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.216 296 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.216 296 G C 1.396 176.211 174.900 -0.142 0.000 1.171 296 G CA 0.987 45.972 45.100 -0.192 0.000 0.775 296 G HN 0.671 nan 8.290 nan 0.000 0.543 297 N N -0.167 118.433 118.700 -0.167 0.000 2.120 297 N HA -0.077 4.663 4.740 -0.000 0.000 0.188 297 N C 2.189 177.639 175.510 -0.100 0.000 1.024 297 N CA 0.922 53.897 53.050 -0.126 0.000 0.852 297 N CB -0.079 38.319 38.487 -0.149 0.000 1.003 297 N HN 0.170 nan 8.380 nan 0.000 0.424 298 V N 1.384 121.216 119.914 -0.137 0.000 2.295 298 V HA -0.256 3.864 4.120 -0.000 0.000 0.246 298 V C 2.368 178.468 176.094 0.010 0.000 1.049 298 V CA 1.995 64.252 62.300 -0.071 0.000 1.024 298 V CB -0.896 30.877 31.823 -0.084 0.000 0.648 298 V HN 0.368 nan 8.190 nan 0.000 0.447 299 A N -0.146 122.667 122.820 -0.011 0.000 1.908 299 A HA -0.273 4.047 4.320 -0.000 0.000 0.218 299 A C 1.968 179.604 177.584 0.086 0.000 1.181 299 A CA 2.195 54.272 52.037 0.065 0.000 0.627 299 A CB -0.659 18.357 19.000 0.027 0.000 0.818 299 A HN 0.559 nan 8.150 nan 0.000 0.445 300 D N -0.290 120.128 120.400 0.029 0.000 2.117 300 D HA -0.110 4.530 4.640 -0.000 0.000 0.198 300 D C 1.990 178.316 176.300 0.043 0.000 0.982 300 D CA 1.441 55.455 54.000 0.023 0.000 0.828 300 D CB -0.425 40.370 40.800 -0.007 0.000 0.967 300 D HN 0.657 nan 8.370 nan 0.000 0.464 301 E N -0.446 119.785 120.200 0.052 0.000 2.058 301 E HA -0.216 4.134 4.350 -0.000 0.000 0.194 301 E C 1.994 178.669 176.600 0.125 0.000 0.997 301 E CA 0.757 57.202 56.400 0.074 0.000 0.801 301 E CB -0.226 29.515 29.700 0.069 0.000 0.746 301 E HN 0.323 nan 8.360 nan 0.000 0.450 302 Y N 1.254 121.562 120.300 0.014 0.000 2.200 302 Y HA -0.163 4.387 4.550 -0.000 0.000 0.290 302 Y C 2.241 178.156 175.900 0.024 0.000 1.137 302 Y CA 1.111 59.225 58.100 0.024 0.000 1.163 302 Y CB -0.479 37.994 38.460 0.022 0.000 0.988 302 Y HN -0.009 nan 8.280 nan 0.000 0.518 303 A N 0.148 122.980 122.820 0.018 0.000 1.940 303 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 303 A C 2.316 179.848 177.584 -0.086 0.000 1.176 303 A CA 1.899 53.895 52.037 -0.068 0.000 0.631 303 A CB -1.141 17.861 19.000 0.004 0.000 0.814 303 A HN 0.538 nan 8.150 nan 0.000 0.446 304 L N -0.766 120.435 121.223 -0.036 0.000 2.046 304 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 304 L C 2.576 179.417 176.870 -0.047 0.000 1.077 304 L CA 1.084 55.909 54.840 -0.025 0.000 0.747 304 L CB -0.535 41.529 42.059 0.007 0.000 0.896 304 L HN 0.374 nan 8.230 nan 0.000 0.432 305 L N -1.061 120.125 121.223 -0.062 0.000 2.046 305 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 305 L C 2.526 179.312 176.870 -0.139 0.000 1.077 305 L CA 0.865 55.664 54.840 -0.068 0.000 0.747 305 L CB -0.595 41.449 42.059 -0.025 0.000 0.896 305 L HN 0.057 nan 8.230 nan 0.000 0.432 306 V N 0.196 119.944 119.914 -0.276 0.000 2.469 306 V HA -0.256 3.864 4.120 -0.000 0.000 0.251 306 V C 2.392 178.408 176.094 -0.130 0.000 1.064 306 V CA 1.727 63.868 62.300 -0.265 0.000 1.066 306 V CB -0.785 30.803 31.823 -0.391 0.000 0.667 306 V HN 0.496 nan 8.190 nan 0.000 0.461 307 A N -0.642 122.119 122.820 -0.100 0.000 2.259 307 A HA 0.415 4.735 4.320 -0.000 0.000 0.208 307 A C 1.913 179.477 177.584 -0.034 0.000 1.201 307 A CA 0.874 52.879 52.037 -0.054 0.000 0.824 307 A CB -0.614 18.361 19.000 -0.041 0.000 0.838 307 A HN 1.169 nan 8.150 nan 0.000 0.485 308 G N -0.664 108.115 108.800 -0.035 0.000 2.148 308 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.254 308 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.254 308 G C -0.101 174.798 174.900 -0.002 0.000 0.981 308 G CA 0.495 45.586 45.100 -0.015 0.000 0.670 308 G HN 0.639 nan 8.290 nan 0.000 0.528 309 E N 0.072 120.270 120.200 -0.003 0.000 2.250 309 E HA 0.488 4.838 4.350 -0.000 0.000 0.269 309 E C 0.112 176.726 176.600 0.023 0.000 1.018 309 E CA -0.721 55.684 56.400 0.009 0.000 0.873 309 E CB 1.177 30.881 29.700 0.007 0.000 1.134 309 E HN 0.463 nan 8.360 nan 0.000 0.403 310 E N 0.572 120.792 120.200 0.033 0.000 2.343 310 E HA 0.149 4.499 4.350 -0.000 0.000 0.269 310 E C -0.811 175.823 176.600 0.057 0.000 1.047 310 E CA -0.423 56.007 56.400 0.050 0.000 0.874 310 E CB 1.285 31.016 29.700 0.052 0.000 1.033 310 E HN 0.110 nan 8.360 nan 0.000 0.409 311 V N 5.587 125.545 119.914 0.074 0.000 2.427 311 V HA 0.121 4.241 4.120 -0.000 0.000 0.268 311 V C -1.878 174.270 176.094 0.091 0.000 1.046 311 V CA -1.405 60.941 62.300 0.075 0.000 0.970 311 V CB 0.356 32.230 31.823 0.086 0.000 1.001 311 V HN 0.583 nan 8.190 nan 0.000 0.476 312 P HA 0.096 nan 4.420 nan 0.000 0.274 312 P C 0.638 178.023 177.300 0.142 0.000 1.231 312 P CA -0.336 62.828 63.100 0.107 0.000 0.790 312 P CB 0.817 32.562 31.700 0.075 0.000 0.951 313 F N 2.617 122.578 119.950 0.018 0.000 2.161 313 F HA -0.245 4.282 4.527 -0.000 0.000 0.300 313 F C 2.096 177.905 175.800 0.015 0.000 1.089 313 F CA 2.249 60.259 58.000 0.017 0.000 1.282 313 F CB -0.574 38.432 39.000 0.010 0.000 1.010 313 F HN 0.394 nan 8.300 nan 0.000 0.485 314 E N 0.096 120.320 120.200 0.040 0.000 2.118 314 E HA -0.254 4.096 4.350 -0.000 0.000 0.195 314 E C 1.926 178.486 176.600 -0.067 0.000 0.992 314 E CA 1.778 58.153 56.400 -0.042 0.000 0.804 314 E CB -1.193 28.515 29.700 0.012 0.000 0.741 314 E HN 0.415 nan 8.360 nan 0.000 0.458 315 L N 0.639 121.836 121.223 -0.043 0.000 2.056 315 L HA 0.054 4.394 4.340 -0.000 0.000 0.207 315 L C 2.262 179.076 176.870 -0.093 0.000 1.078 315 L CA 1.704 56.517 54.840 -0.045 0.000 0.749 315 L CB -0.427 41.623 42.059 -0.015 0.000 0.901 315 L HN -0.009 nan 8.230 nan 0.000 0.433 316 R N -0.848 119.567 120.500 -0.142 0.000 2.105 316 R HA -0.131 4.209 4.340 -0.000 0.000 0.239 316 R C 2.250 178.395 176.300 -0.258 0.000 1.135 316 R CA 1.731 57.716 56.100 -0.191 0.000 0.967 316 R CB -0.473 29.706 30.300 -0.201 0.000 0.861 316 R HN 0.380 nan 8.270 nan 0.000 0.442 317 L N -0.077 120.938 121.223 -0.346 0.000 2.056 317 L HA -0.147 4.193 4.340 -0.000 0.000 0.207 317 L C 2.551 179.426 176.870 0.009 0.000 1.078 317 L CA 1.341 56.060 54.840 -0.201 0.000 0.749 317 L CB -0.334 41.596 42.059 -0.216 0.000 0.901 317 L HN 0.131 nan 8.230 nan 0.000 0.433 318 R N -0.121 120.389 120.500 0.016 0.000 2.096 318 R HA -0.157 4.183 4.340 -0.000 0.000 0.235 318 R C 2.419 178.649 176.300 -0.116 0.000 1.127 318 R CA 1.306 57.382 56.100 -0.040 0.000 0.968 318 R CB -0.498 29.787 30.300 -0.026 0.000 0.861 318 R HN 0.372 nan 8.270 nan 0.000 0.440 319 A N 1.301 124.051 122.820 -0.117 0.000 1.883 319 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 319 A C 2.102 179.592 177.584 -0.157 0.000 1.186 319 A CA 1.185 53.135 52.037 -0.145 0.000 0.624 319 A CB -0.344 18.571 19.000 -0.143 0.000 0.822 319 A HN 0.119 nan 8.150 nan 0.000 0.444 320 R N -0.645 119.769 120.500 -0.143 0.000 2.081 320 R HA -0.123 4.217 4.340 -0.000 0.000 0.235 320 R C 2.412 178.640 176.300 -0.119 0.000 1.131 320 R CA 1.492 57.507 56.100 -0.141 0.000 0.960 320 R CB -0.739 29.487 30.300 -0.124 0.000 0.856 320 R HN 0.702 nan 8.270 nan 0.000 0.436 321 R N 0.967 121.411 120.500 -0.094 0.000 2.094 321 R HA -0.169 4.170 4.340 -0.000 0.000 0.239 321 R C 1.148 177.425 176.300 -0.038 0.000 1.137 321 R CA 2.214 58.276 56.100 -0.064 0.000 0.943 321 R CB -0.169 29.923 30.300 -0.346 0.000 0.850 321 R HN 0.111 nan 8.270 nan 0.000 0.433 322 D N -0.078 120.249 120.400 -0.121 0.000 2.234 322 D HA -0.146 4.494 4.640 -0.000 0.000 0.205 322 D C 1.869 178.103 176.300 -0.110 0.000 0.962 322 D CA 0.611 54.544 54.000 -0.112 0.000 0.855 322 D CB -0.150 40.563 40.800 -0.145 0.000 0.951 322 D HN 0.372 nan 8.370 nan 0.000 0.500 323 Q N 1.376 121.090 119.800 -0.143 0.000 2.020 323 Q HA -0.111 4.229 4.340 -0.000 0.000 0.198 323 Q C 2.296 178.208 176.000 -0.147 0.000 0.974 323 Q CA 1.550 57.250 55.803 -0.172 0.000 0.829 323 Q CB -0.119 28.485 28.738 -0.223 0.000 0.894 323 Q HN 0.267 nan 8.270 nan 0.000 0.433 324 V N -0.714 119.105 119.914 -0.158 0.000 2.407 324 V HA -0.195 3.925 4.120 -0.000 0.000 0.248 324 V C 2.556 178.591 176.094 -0.098 0.000 1.055 324 V CA 2.175 64.368 62.300 -0.178 0.000 1.049 324 V CB -0.915 30.713 31.823 -0.325 0.000 0.662 324 V HN 0.239 nan 8.190 nan 0.000 0.455 325 R N 0.592 121.087 120.500 -0.008 0.000 2.115 325 R HA 0.024 4.364 4.340 -0.000 0.000 0.230 325 R C 2.395 178.696 176.300 0.001 0.000 1.111 325 R CA 1.473 57.615 56.100 0.071 0.000 0.976 325 R CB -0.635 29.730 30.300 0.108 0.000 0.870 325 R HN 0.629 nan 8.270 nan 0.000 0.445 326 A N -0.317 122.482 122.820 -0.034 0.000 1.902 326 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 326 A C 2.121 179.693 177.584 -0.020 0.000 1.181 326 A CA 2.029 54.048 52.037 -0.030 0.000 0.623 326 A CB -0.909 18.063 19.000 -0.048 0.000 0.818 326 A HN 0.387 nan 8.150 nan 0.000 0.443 327 T N -0.205 114.327 114.554 -0.037 0.000 2.684 327 T HA -0.089 4.261 4.350 -0.000 0.000 0.267 327 T C 1.970 176.648 174.700 -0.037 0.000 1.036 327 T CA 1.672 63.752 62.100 -0.032 0.000 1.148 327 T CB -0.715 68.127 68.868 -0.044 0.000 0.863 327 T HN 0.610 nan 8.240 nan 0.000 0.436 328 G N 1.352 110.135 108.800 -0.028 0.000 2.446 328 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.217 328 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.217 328 G C 1.718 176.613 174.900 -0.009 0.000 1.168 328 G CA 0.480 45.572 45.100 -0.013 0.000 0.771 328 G HN 0.426 nan 8.290 nan 0.000 0.551 329 R N 0.495 120.991 120.500 -0.008 0.000 2.081 329 R HA 0.023 4.363 4.340 -0.000 0.000 0.235 329 R C 3.044 179.328 176.300 -0.026 0.000 1.131 329 R CA 1.109 57.201 56.100 -0.014 0.000 0.960 329 R CB -0.414 29.874 30.300 -0.021 0.000 0.856 329 R HN 0.358 nan 8.270 nan 0.000 0.436 330 A N 1.385 124.187 122.820 -0.029 0.000 1.877 330 A HA -0.154 4.165 4.320 -0.000 0.000 0.216 330 A C 2.173 179.736 177.584 -0.035 0.000 1.186 330 A CA 1.308 53.322 52.037 -0.038 0.000 0.620 330 A CB -0.487 18.502 19.000 -0.017 0.000 0.822 330 A HN 0.175 nan 8.150 nan 0.000 0.443 331 I N -0.862 119.673 120.570 -0.058 0.000 2.202 331 I HA -0.200 3.970 4.170 -0.000 0.000 0.242 331 I C 2.818 178.940 176.117 0.009 0.000 1.091 331 I CA 1.428 62.668 61.300 -0.101 0.000 1.368 331 I CB -0.302 37.545 38.000 -0.255 0.000 1.058 331 I HN 0.403 nan 8.210 nan 0.000 0.410 332 S N 0.256 115.969 115.700 0.022 0.000 2.370 332 S HA -0.205 4.265 4.470 -0.000 0.000 0.226 332 S C 2.223 176.864 174.600 0.069 0.000 1.033 332 S CA 2.175 60.414 58.200 0.065 0.000 1.011 332 S CB -0.184 63.041 63.200 0.042 0.000 0.852 332 S HN 0.420 nan 8.310 nan 0.000 0.457 333 S N 1.117 116.836 115.700 0.033 0.000 2.368 333 S HA 0.063 4.533 4.470 -0.000 0.000 0.224 333 S C 1.759 176.393 174.600 0.057 0.000 1.029 333 S CA 1.342 59.556 58.200 0.023 0.000 0.988 333 S CB -0.418 62.764 63.200 -0.031 0.000 0.838 333 S HN 0.541 nan 8.310 nan 0.000 0.462 334 I N 1.856 122.475 120.570 0.082 0.000 2.226 334 I HA -0.208 3.962 4.170 -0.000 0.000 0.245 334 I C 2.017 178.280 176.117 0.244 0.000 1.100 334 I CA 1.138 62.529 61.300 0.151 0.000 1.374 334 I CB -0.459 37.654 38.000 0.187 0.000 1.057 334 I HN 0.149 nan 8.210 nan 0.000 0.413 335 D N 1.154 121.737 120.400 0.305 0.000 2.104 335 D HA -0.183 4.457 4.640 -0.000 0.000 0.194 335 D C 2.182 178.588 176.300 0.176 0.000 0.994 335 D CA 1.299 55.516 54.000 0.361 0.000 0.830 335 D CB -0.193 40.833 40.800 0.377 0.000 0.959 335 D HN 0.292 nan 8.370 nan 0.000 0.452 336 K N 0.043 120.504 120.400 0.103 0.000 2.063 336 K HA -0.078 4.242 4.320 -0.000 0.000 0.208 336 K C 2.311 178.883 176.600 -0.046 0.000 1.048 336 K CA 0.716 57.023 56.287 0.032 0.000 0.928 336 K CB -0.166 32.353 32.500 0.030 0.000 0.713 336 K HN 0.167 nan 8.250 nan 0.000 0.442 337 L N -0.279 120.895 121.223 -0.082 0.000 2.056 337 L HA -0.142 4.198 4.340 -0.000 0.000 0.207 337 L C 2.404 179.126 176.870 -0.248 0.000 1.078 337 L CA 0.847 55.480 54.840 -0.345 0.000 0.749 337 L CB -0.447 41.398 42.059 -0.356 0.000 0.901 337 L HN 0.095 nan 8.230 nan 0.000 0.433 338 F N 1.178 120.994 119.950 -0.223 0.000 2.134 338 F HA -0.231 4.296 4.527 -0.000 0.000 0.299 338 F C 2.544 178.186 175.800 -0.262 0.000 1.097 338 F CA 1.911 59.750 58.000 -0.268 0.000 1.264 338 F CB -0.282 38.441 39.000 -0.462 0.000 1.001 338 F HN 0.111 nan 8.300 nan 0.000 0.479 339 E N -0.707 119.303 120.200 -0.316 0.000 2.051 339 E HA -0.245 4.105 4.350 -0.000 0.000 0.192 339 E C 2.419 178.870 176.600 -0.249 0.000 0.991 339 E CA 1.443 57.639 56.400 -0.340 0.000 0.799 339 E CB -0.457 29.153 29.700 -0.151 0.000 0.748 339 E HN 0.395 nan 8.360 nan 0.000 0.449 340 S N -0.304 115.306 115.700 -0.151 0.000 2.370 340 S HA -0.179 4.291 4.470 -0.000 0.000 0.226 340 S C 2.089 176.685 174.600 -0.006 0.000 1.033 340 S CA 1.599 59.767 58.200 -0.052 0.000 1.011 340 S CB -0.403 62.797 63.200 -0.000 0.000 0.852 340 S HN 0.331 nan 8.310 nan 0.000 0.457 341 S N -0.335 115.361 115.700 -0.008 0.000 2.382 341 S HA 0.152 4.622 4.470 -0.000 0.000 0.228 341 S C 1.319 175.872 174.600 -0.078 0.000 1.027 341 S CA 1.670 59.908 58.200 0.063 0.000 0.991 341 S CB -1.229 62.033 63.200 0.104 0.000 0.823 341 S HN 1.151 nan 8.310 nan 0.000 0.469 342 G N 0.428 109.087 108.800 -0.235 0.000 2.528 342 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.262 342 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.262 342 G C 0.983 175.751 174.900 -0.220 0.000 1.200 342 G CA 0.351 45.307 45.100 -0.240 0.000 0.951 342 G HN 1.246 nan 8.290 nan 0.000 0.566 343 A N -1.824 120.915 122.820 -0.135 0.000 1.908 343 A HA 0.018 4.338 4.320 -0.000 0.000 0.218 343 A C 2.643 180.183 177.584 -0.073 0.000 1.181 343 A CA 3.613 55.590 52.037 -0.101 0.000 0.627 343 A CB -1.210 17.754 19.000 -0.061 0.000 0.818 343 A HN 1.981 nan 8.150 nan 0.000 0.445 344 T N -0.516 114.008 114.554 -0.051 0.000 2.803 344 T HA -0.061 4.289 4.350 -0.000 0.000 0.269 344 T C 1.783 176.448 174.700 -0.059 0.000 1.052 344 T CA 1.855 63.933 62.100 -0.037 0.000 1.136 344 T CB -0.414 68.455 68.868 0.002 0.000 0.864 344 T HN 0.581 nan 8.240 nan 0.000 0.467 345 A N 0.395 123.175 122.820 -0.068 0.000 2.168 345 A HA 0.256 4.576 4.320 -0.000 0.000 0.215 345 A C 2.107 179.754 177.584 0.105 0.000 1.152 345 A CA 0.552 52.597 52.037 0.012 0.000 0.716 345 A CB -0.486 18.519 19.000 0.009 0.000 0.794 345 A HN 0.604 nan 8.150 nan 0.000 0.465 346 L N -0.593 120.643 121.223 0.023 0.000 2.395 346 L HA 0.056 4.396 4.340 -0.000 0.000 0.218 346 L C 1.521 178.431 176.870 0.066 0.000 1.130 346 L CA 0.065 54.948 54.840 0.072 0.000 0.826 346 L CB -0.626 41.440 42.059 0.011 0.000 0.941 346 L HN 0.390 nan 8.230 nan 0.000 0.451 347 A N 1.144 123.984 122.820 0.035 0.000 2.524 347 A HA 0.074 4.394 4.320 -0.000 0.000 0.250 347 A C 0.241 177.842 177.584 0.028 0.000 1.078 347 A CA -0.260 51.790 52.037 0.022 0.000 0.761 347 A CB -0.201 18.801 19.000 0.003 0.000 1.012 347 A HN 0.261 nan 8.150 nan 0.000 0.500 348 N N 1.005 119.719 118.700 0.024 0.000 2.395 348 N HA 0.276 5.016 4.740 -0.000 0.000 0.246 348 N C 1.353 176.867 175.510 0.006 0.000 1.246 348 N CA 1.567 54.628 53.050 0.018 0.000 0.879 348 N CB 0.644 39.139 38.487 0.013 0.000 1.098 348 N HN 1.248 nan 8.380 nan 0.000 0.444 349 G N -0.315 108.483 108.800 -0.004 0.000 2.179 349 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.260 349 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.260 349 G C 0.255 175.142 174.900 -0.022 0.000 0.977 349 G CA 0.851 45.942 45.100 -0.015 0.000 0.641 349 G HN 0.893 nan 8.290 nan 0.000 0.533 350 T N -1.899 112.645 114.554 -0.016 0.000 2.928 350 T HA 0.666 5.016 4.350 -0.000 0.000 0.284 350 T C -0.953 173.728 174.700 -0.032 0.000 1.008 350 T CA -1.114 60.974 62.100 -0.020 0.000 1.057 350 T CB 2.621 71.478 68.868 -0.017 0.000 1.018 350 T HN -0.078 nan 8.240 nan 0.000 0.493 351 P HA -0.017 nan 4.420 nan 0.000 0.216 351 P C 1.617 178.930 177.300 0.021 0.000 1.153 351 P CA 0.197 63.246 63.100 -0.084 0.000 0.848 351 P CB 0.008 31.740 31.700 0.053 0.000 0.787 352 L N 0.515 121.841 121.223 0.172 0.000 2.056 352 L HA -0.194 4.146 4.340 -0.000 0.000 0.207 352 L C 2.232 179.224 176.870 0.202 0.000 1.078 352 L CA 2.025 57.044 54.840 0.300 0.000 0.749 352 L CB -1.555 40.671 42.059 0.278 0.000 0.901 352 L HN -0.075 nan 8.230 nan 0.000 0.433 353 Q N -0.801 119.065 119.800 0.110 0.000 2.170 353 Q HA -0.228 4.112 4.340 -0.000 0.000 0.203 353 Q C 2.263 178.298 176.000 0.059 0.000 0.976 353 Q CA 1.867 57.661 55.803 -0.016 0.000 0.858 353 Q CB -0.735 28.052 28.738 0.081 0.000 0.907 353 Q HN 0.487 nan 8.270 nan 0.000 0.433 354 R N -0.504 119.992 120.500 -0.008 0.000 2.066 354 R HA -0.071 4.269 4.340 -0.000 0.000 0.232 354 R C 1.630 177.900 176.300 -0.051 0.000 1.131 354 R CA 1.390 57.435 56.100 -0.092 0.000 0.955 354 R CB -0.222 29.938 30.300 -0.233 0.000 0.851 354 R HN 0.323 nan 8.270 nan 0.000 0.432 355 F N -0.581 119.405 119.950 0.060 0.000 2.161 355 F HA -0.216 4.311 4.527 -0.000 0.000 0.300 355 F C 2.096 177.944 175.800 0.080 0.000 1.089 355 F CA 1.187 59.226 58.000 0.065 0.000 1.282 355 F CB -0.833 38.218 39.000 0.085 0.000 1.010 355 F HN 0.247 nan 8.300 nan 0.000 0.485 356 W N 1.469 122.798 121.300 0.049 0.000 2.354 356 W HA -0.164 4.496 4.660 -0.000 0.000 0.315 356 W C 2.543 179.071 176.519 0.015 0.000 1.206 356 W CA 1.833 59.142 57.345 -0.059 0.000 1.290 356 W CB -0.558 28.603 29.460 -0.498 0.000 1.152 356 W HN -0.170 nan 8.180 nan 0.000 0.489 357 R N -0.031 120.375 120.500 -0.157 0.000 2.081 357 R HA -0.156 4.184 4.340 -0.000 0.000 0.235 357 R C 1.801 177.991 176.300 -0.183 0.000 1.131 357 R CA 1.741 57.645 56.100 -0.326 0.000 0.960 357 R CB -0.724 29.455 30.300 -0.201 0.000 0.856 357 R HN 0.139 nan 8.270 nan 0.000 0.436 358 D N 0.573 120.925 120.400 -0.080 0.000 2.097 358 D HA -0.132 4.508 4.640 -0.000 0.000 0.195 358 D C 1.807 178.056 176.300 -0.086 0.000 0.989 358 D CA 1.611 55.573 54.000 -0.064 0.000 0.827 358 D CB -0.261 40.547 40.800 0.015 0.000 0.966 358 D HN 0.242 nan 8.370 nan 0.000 0.456 359 A N 0.497 123.291 122.820 -0.044 0.000 1.898 359 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 359 A C 1.933 179.385 177.584 -0.219 0.000 1.181 359 A CA 1.242 53.218 52.037 -0.101 0.000 0.620 359 A CB -0.763 18.186 19.000 -0.085 0.000 0.819 359 A HN 0.335 nan 8.150 nan 0.000 0.442 360 H N -0.682 118.252 119.070 -0.226 0.000 2.457 360 H HA 0.030 4.586 4.556 0.000 0.000 0.294 360 H C 2.438 177.652 175.328 -0.189 0.000 1.064 360 H CA 1.197 57.096 56.048 -0.247 0.000 1.330 360 H CB -0.074 29.429 29.762 -0.432 0.000 1.395 360 H HN 0.556 nan 8.280 nan 0.000 0.541 361 A N 0.541 123.299 122.820 -0.102 0.000 1.898 361 A HA -0.011 4.309 4.320 -0.000 0.000 0.214 361 A C 2.791 180.294 177.584 -0.135 0.000 1.183 361 A CA 1.192 53.173 52.037 -0.094 0.000 0.622 361 A CB -0.921 18.013 19.000 -0.110 0.000 0.824 361 A HN 0.419 nan 8.150 nan 0.000 0.444 362 G N -0.202 108.434 108.800 -0.274 0.000 2.432 362 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.219 362 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.219 362 G C 1.625 176.526 174.900 0.001 0.000 1.135 362 G CA 1.238 46.108 45.100 -0.382 0.000 0.767 362 G HN 0.520 nan 8.290 nan 0.000 0.550 363 R N 0.971 121.451 120.500 -0.034 0.000 2.159 363 R HA -0.093 4.247 4.340 -0.000 0.000 0.237 363 R C 2.507 178.823 176.300 0.026 0.000 1.131 363 R CA 1.811 57.904 56.100 -0.011 0.000 0.982 363 R CB -0.808 29.446 30.300 -0.077 0.000 0.868 363 R HN 0.459 nan 8.270 nan 0.000 0.453 364 V N -1.519 118.411 119.914 0.026 0.000 3.041 364 V HA 0.003 4.123 4.120 -0.000 0.000 0.260 364 V C 1.207 177.286 176.094 -0.025 0.000 1.105 364 V CA 0.537 62.830 62.300 -0.012 0.000 1.125 364 V CB -1.022 30.780 31.823 -0.035 0.000 0.730 364 V HN 0.311 nan 8.190 nan 0.000 0.479 365 H N 0.873 119.945 119.070 0.003 0.000 3.064 365 H HA 0.194 4.750 4.556 -0.000 0.000 0.329 365 H C 1.550 176.856 175.328 -0.037 0.000 1.020 365 H CA 0.707 56.771 56.048 0.027 0.000 1.402 365 H CB 1.699 31.587 29.762 0.212 0.000 1.379 365 H HN 0.361 nan 8.280 nan 0.000 0.594 366 A N 4.988 127.671 122.820 -0.229 0.000 1.948 366 A HA -0.208 4.112 4.320 -0.000 0.000 0.220 366 A C 2.385 180.000 177.584 0.051 0.000 1.177 366 A CA 1.856 53.840 52.037 -0.089 0.000 0.636 366 A CB -0.789 18.130 19.000 -0.137 0.000 0.815 366 A HN 0.798 nan 8.150 nan 0.000 0.449 367 A N -0.671 122.328 122.820 0.299 0.000 2.168 367 A HA -0.058 4.262 4.320 -0.000 0.000 0.215 367 A C 1.588 179.144 177.584 -0.047 0.000 1.152 367 A CA 1.254 53.328 52.037 0.060 0.000 0.716 367 A CB -0.646 18.285 19.000 -0.116 0.000 0.794 367 A HN 0.727 nan 8.150 nan 0.000 0.465 368 N N -0.211 118.497 118.700 0.014 0.000 2.299 368 N HA -0.008 4.732 4.740 -0.000 0.000 0.187 368 N C 0.002 175.453 175.510 -0.098 0.000 1.099 368 N CA -0.162 52.857 53.050 -0.051 0.000 0.867 368 N CB 0.231 38.721 38.487 0.005 0.000 0.974 368 N HN 0.401 nan 8.380 nan 0.000 0.477 369 D N 2.123 122.468 120.400 -0.090 0.000 2.451 369 D HA -0.030 4.610 4.640 -0.000 0.000 0.254 369 D C -1.515 174.653 176.300 -0.220 0.000 1.204 369 D CA -1.210 52.717 54.000 -0.121 0.000 0.896 369 D CB 1.256 41.999 40.800 -0.095 0.000 1.136 369 D HN 0.191 nan 8.370 nan 0.000 0.499 370 P HA -0.046 nan 4.420 nan 0.000 0.219 370 P C 0.843 177.698 177.300 -0.742 0.000 1.154 370 P CA 0.728 63.451 63.100 -0.628 0.000 0.826 370 P CB 0.457 31.835 31.700 -0.536 0.000 0.795 371 E N 0.111 120.129 120.200 -0.303 0.000 2.153 371 E HA -0.154 4.196 4.350 -0.000 0.000 0.194 371 E C 2.318 178.869 176.600 -0.081 0.000 0.988 371 E CA 0.845 57.188 56.400 -0.094 0.000 0.811 371 E CB -0.599 29.107 29.700 0.010 0.000 0.746 371 E HN 0.165 nan 8.360 nan 0.000 0.466 372 R N 0.534 120.962 120.500 -0.121 0.000 2.083 372 R HA -0.158 4.182 4.340 -0.000 0.000 0.237 372 R C 2.137 178.394 176.300 -0.073 0.000 1.137 372 R CA 1.643 57.696 56.100 -0.078 0.000 0.951 372 R CB -0.281 29.967 30.300 -0.087 0.000 0.851 372 R HN 0.232 nan 8.270 nan 0.000 0.434 373 A N -0.106 122.620 122.820 -0.158 0.000 1.930 373 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 373 A C 1.892 179.507 177.584 0.051 0.000 1.175 373 A CA 0.985 52.959 52.037 -0.105 0.000 0.627 373 A CB -0.632 18.252 19.000 -0.193 0.000 0.815 373 A HN 0.444 nan 8.150 nan 0.000 0.443 374 Y N 0.137 120.429 120.300 -0.012 0.000 2.200 374 Y HA -0.022 4.527 4.550 -0.000 0.000 0.290 374 Y C 1.718 177.647 175.900 0.049 0.000 1.137 374 Y CA -0.182 57.923 58.100 0.009 0.000 1.163 374 Y CB -1.390 37.061 38.460 -0.015 0.000 0.988 374 Y HN 0.017 nan 8.280 nan 0.000 0.518 378 G N 0.399 109.144 108.800 -0.091 0.000 2.442 378 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.219 378 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.219 378 G C 1.374 176.012 174.900 -0.438 0.000 1.141 378 G CA 1.838 46.723 45.100 -0.358 0.000 0.763 378 G HN 0.440 nan 8.290 nan 0.000 0.554 379 T N 0.997 115.463 114.554 -0.147 0.000 2.684 379 T HA -0.078 4.272 4.350 -0.000 0.000 0.267 379 T C 2.499 177.164 174.700 -0.059 0.000 1.036 379 T CA 1.545 63.633 62.100 -0.019 0.000 1.148 379 T CB -0.619 68.275 68.868 0.044 0.000 0.863 379 T HN 0.365 nan 8.240 nan 0.000 0.436 380 G N 1.553 110.270 108.800 -0.139 0.000 2.418 380 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.217 380 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.217 380 G C 1.549 176.320 174.900 -0.216 0.000 1.158 380 G CA 0.563 45.584 45.100 -0.131 0.000 0.771 380 G HN 0.379 nan 8.290 nan 0.000 0.545 381 E N 0.358 120.287 120.200 -0.452 0.000 2.153 381 E HA -0.063 4.287 4.350 -0.000 0.000 0.194 381 E C 1.975 178.486 176.600 -0.149 0.000 0.988 381 E CA 0.568 56.721 56.400 -0.411 0.000 0.811 381 E CB -0.290 29.035 29.700 -0.624 0.000 0.746 381 E HN 0.486 nan 8.360 nan 0.000 0.466 382 F N 0.036 119.936 119.950 -0.084 0.000 2.811 382 F HA 0.227 4.753 4.527 -0.000 0.000 0.301 382 F C 1.608 177.390 175.800 -0.030 0.000 1.151 382 F CA 0.460 58.434 58.000 -0.043 0.000 1.412 382 F CB -0.412 38.571 39.000 -0.029 0.000 1.113 382 F HN 0.037 nan 8.300 nan 0.000 0.579 383 G N 1.287 110.161 108.800 0.124 0.000 2.246 383 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.273 383 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.273 383 G C -0.035 174.910 174.900 0.075 0.000 1.055 383 G CA 0.022 45.168 45.100 0.076 0.000 0.851 383 G HN 0.314 nan 8.290 nan 0.000 0.500 384 L N -0.261 121.017 121.223 0.092 0.000 2.352 384 L HA 0.567 4.907 4.340 -0.000 0.000 0.269 384 L C -1.715 175.188 176.870 0.056 0.000 1.034 384 L CA -2.548 52.337 54.840 0.076 0.000 0.806 384 L CB 1.359 43.481 42.059 0.105 0.000 1.244 384 L HN -0.096 nan 8.230 nan 0.000 0.447 385 P HA 0.222 nan 4.420 nan 0.000 0.268 385 P C -0.985 176.339 177.300 0.041 0.000 1.205 385 P CA 0.181 63.295 63.100 0.024 0.000 0.771 385 P CB 0.488 32.196 31.700 0.013 0.000 0.858 386 I N 2.091 122.686 120.570 0.042 0.000 2.406 386 I HA 0.217 4.387 4.170 -0.000 0.000 0.290 386 I C 1.181 177.326 176.117 0.046 0.000 0.999 386 I CA -0.189 61.156 61.300 0.076 0.000 1.124 386 I CB 1.998 40.106 38.000 0.181 0.000 1.289 386 I HN 0.394 nan 8.210 nan 0.000 0.441 387 T N -0.774 113.806 114.554 0.044 0.000 2.985 387 T HA 0.084 4.434 4.350 -0.000 0.000 0.254 387 T C 0.504 175.223 174.700 0.031 0.000 1.021 387 T CA -0.271 61.845 62.100 0.027 0.000 0.957 387 T CB 0.020 68.898 68.868 0.016 0.000 1.047 387 T HN 0.436 nan 8.240 nan 0.000 0.511 388 D N 3.840 124.266 120.400 0.043 0.000 2.458 388 D HA 0.140 4.780 4.640 -0.000 0.000 0.243 388 D C 0.690 177.017 176.300 0.046 0.000 1.146 388 D CA 0.477 54.493 54.000 0.027 0.000 0.877 388 D CB 1.416 42.232 40.800 0.027 0.000 1.176 388 D HN 0.521 nan 8.370 nan 0.000 0.461 391 V N 0.000 119.924 119.914 0.016 0.000 2.409 391 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 391 V CA 0.000 62.298 62.300 -0.004 0.000 1.235 391 V CB 0.000 31.822 31.823 -0.002 0.000 1.184 391 V HN 0.000 nan 8.190 nan 0.000 0.556