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 3ckv_1_A DATA FIRST_RESID 15 DATA SEQUENCE GLRDTRPGDT WLADRSWNRP GWTVAELEAA KAGRTISVVL PALDEEDTIG DATA SEQUENCE SVIDSISPLV DGLVDELIVL DSGSTDDTEI RAVAAGARVV SREQALPEVP DATA SEQUENCE IRPGKGEALW RSLAASRGDI VVFVDSDLIN PHPMFVPWLV GPLLTGDGVH DATA SEQUENCE LVKSFYRRPX XXXXXXXXXX XXXXGRVTEL VARPLLAALR PELGCILQPL DATA SEQUENCE GGEYAATREL LTSVPFAPGY GVEIGLLVDT FDRLGLDAIA QVNLGVREHR DATA SEQUENCE NRPLAELGAM SRQVIATLLS RCGIPDSGVG LTQFVADGPE GQSYTQHTWP DATA SEQUENCE VSLADRPPMQ AIRPR 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 15 G HA2 0.000 nan 3.960 nan 0.000 0.244 15 G HA3 0.000 3.964 3.960 0.006 0.000 0.244 15 G C 0.000 174.076 174.900 -1.374 0.000 0.946 15 G CA 0.000 44.549 45.100 -0.919 0.000 0.502 16 L N 1.298 122.044 121.223 -0.794 0.000 2.675 16 L HA 0.247 4.591 4.340 0.006 0.000 0.238 16 L C 2.613 179.234 176.870 -0.415 0.000 1.155 16 L CA 0.260 54.729 54.840 -0.617 0.000 0.881 16 L CB -0.066 41.699 42.059 -0.489 0.000 1.008 16 L HN 0.236 nan 8.230 nan 0.000 0.443 17 R N -0.677 119.591 120.500 -0.386 0.000 2.246 17 R HA 0.022 4.366 4.340 0.006 0.000 0.199 17 R C -0.126 176.009 176.300 -0.275 0.000 0.984 17 R CA 0.413 56.355 56.100 -0.263 0.000 1.015 17 R CB 0.289 30.473 30.300 -0.194 0.000 0.930 17 R HN 0.069 nan 8.270 nan 0.000 0.475 18 D N 0.052 120.215 120.400 -0.394 0.000 2.381 18 D HA 0.084 4.728 4.640 0.006 0.000 0.245 18 D C -1.669 174.343 176.300 -0.481 0.000 1.297 18 D CA 0.006 53.796 54.000 -0.349 0.000 0.931 18 D CB 1.259 41.895 40.800 -0.274 0.000 1.334 18 D HN -0.183 nan 8.370 nan 0.000 0.535 19 T N 0.651 114.955 114.554 -0.416 0.000 2.881 19 T HA 0.819 5.173 4.350 0.006 0.000 0.290 19 T C -0.374 174.176 174.700 -0.250 0.000 1.000 19 T CA -0.337 61.502 62.100 -0.435 0.000 0.978 19 T CB 0.857 69.432 68.868 -0.488 0.000 0.997 19 T HN 0.357 nan 8.240 nan 0.000 0.443 20 R N 4.018 124.375 120.500 -0.238 0.000 2.758 20 R HA 0.806 5.149 4.340 0.006 0.000 0.265 20 R C -2.993 173.086 176.300 -0.368 0.000 1.016 20 R CA -2.169 53.786 56.100 -0.242 0.000 1.040 20 R CB -0.713 29.469 30.300 -0.197 0.000 1.152 20 R HN 0.623 nan 8.270 nan 0.000 0.503 21 P HA 0.186 nan 4.420 nan 0.000 0.258 21 P C 0.643 177.145 177.300 -1.330 0.000 1.214 21 P CA 1.876 64.461 63.100 -0.857 0.000 0.872 21 P CB 0.645 32.014 31.700 -0.551 0.000 0.890 22 G N 2.956 110.875 108.800 -1.468 0.000 3.288 22 G HA2 -0.142 3.822 3.960 0.006 0.000 0.195 22 G HA3 -0.142 3.822 3.960 0.006 0.000 0.195 22 G C -0.347 174.291 174.900 -0.436 0.000 1.093 22 G CA -0.594 43.784 45.100 -1.204 0.000 0.852 22 G HN 0.413 nan 8.290 nan 0.000 0.453 23 D N 2.297 122.556 120.400 -0.236 0.000 2.488 23 D HA 0.461 5.105 4.640 0.006 0.000 0.238 23 D C 0.322 176.774 176.300 0.252 0.000 1.138 23 D CA 0.960 55.019 54.000 0.099 0.000 0.873 23 D CB 1.001 41.926 40.800 0.209 0.000 1.183 23 D HN 0.221 nan 8.370 nan 0.000 0.458 24 T N 1.707 116.429 114.554 0.280 0.000 2.823 24 T HA 0.240 4.594 4.350 0.006 0.000 0.279 24 T C -0.589 174.017 174.700 -0.156 0.000 0.998 24 T CA -0.730 61.441 62.100 0.118 0.000 0.994 24 T CB 0.995 69.927 68.868 0.105 0.000 0.960 24 T HN 0.279 nan 8.240 nan 0.000 0.448 25 W N 4.828 125.668 121.300 -0.766 0.000 2.349 25 W HA 0.602 5.266 4.660 0.007 0.000 0.309 25 W C -1.191 174.987 176.519 -0.568 0.000 1.083 25 W CA -1.810 54.767 57.345 -1.280 0.000 1.224 25 W CB -0.010 28.576 29.460 -1.457 0.000 1.256 25 W HN 0.571 nan 8.180 nan 0.000 0.461 26 L N 4.750 125.750 121.223 -0.372 0.000 2.472 26 L HA 0.444 4.787 4.340 0.006 0.000 0.256 26 L C 1.623 178.194 176.870 -0.498 0.000 1.111 26 L CA -0.334 54.317 54.840 -0.315 0.000 0.800 26 L CB 0.448 42.416 42.059 -0.150 0.000 1.286 26 L HN 0.534 nan 8.230 nan 0.000 0.479 27 A N 0.172 122.793 122.820 -0.331 0.000 2.015 27 A HA -0.145 4.179 4.320 0.006 0.000 0.219 27 A C 1.268 178.682 177.584 -0.283 0.000 1.163 27 A CA 1.410 53.250 52.037 -0.329 0.000 0.646 27 A CB -0.632 18.262 19.000 -0.177 0.000 0.806 27 A HN 0.871 nan 8.150 nan 0.000 0.448 28 D N -1.651 118.633 120.400 -0.192 0.000 2.352 28 D HA 0.253 4.897 4.640 0.006 0.000 0.236 28 D C 0.943 177.203 176.300 -0.066 0.000 1.148 28 D CA 0.706 54.643 54.000 -0.104 0.000 0.844 28 D CB -1.149 39.623 40.800 -0.046 0.000 0.933 28 D HN 0.647 nan 8.370 nan 0.000 0.507 29 R N -0.309 120.090 120.500 -0.168 0.000 3.946 29 R HA -0.190 4.154 4.340 0.006 0.000 0.329 29 R C 0.676 177.176 176.300 0.333 0.000 1.209 29 R CA 1.228 57.395 56.100 0.111 0.000 0.909 29 R CB -3.387 27.063 30.300 0.250 0.000 1.355 29 R HN 0.835 nan 8.270 nan 0.000 0.539 30 S N -1.650 114.133 115.700 0.139 0.000 2.578 30 S HA 0.793 5.267 4.470 0.006 0.000 0.283 30 S C -0.114 174.589 174.600 0.172 0.000 1.195 30 S CA -0.638 57.689 58.200 0.211 0.000 1.050 30 S CB 1.534 64.808 63.200 0.122 0.000 1.012 30 S HN 0.669 nan 8.310 nan 0.000 0.511 31 W N 1.229 122.640 121.300 0.185 0.000 2.576 31 W HA 0.593 5.257 4.660 0.006 0.000 0.360 31 W C 0.437 177.015 176.519 0.098 0.000 1.109 31 W CA -0.608 56.832 57.345 0.158 0.000 1.237 31 W CB 1.264 30.770 29.460 0.075 0.000 1.369 31 W HN 0.777 nan 8.180 nan 0.000 0.609 32 N N 1.719 120.630 118.700 0.353 0.000 2.454 32 N HA 0.296 5.039 4.740 0.006 0.000 0.291 32 N C -1.563 174.062 175.510 0.192 0.000 1.079 32 N CA -0.701 52.481 53.050 0.219 0.000 0.893 32 N CB 1.502 40.087 38.487 0.163 0.000 1.512 32 N HN 0.577 nan 8.380 nan 0.000 0.497 33 R N 4.363 124.925 120.500 0.104 0.000 2.215 33 R HA 0.386 4.730 4.340 0.006 0.000 0.337 33 R C -2.085 174.180 176.300 -0.058 0.000 1.010 33 R CA -1.193 54.912 56.100 0.008 0.000 0.871 33 R CB 0.620 30.904 30.300 -0.026 0.000 1.134 33 R HN 0.396 nan 8.270 nan 0.000 0.477 34 P HA 0.047 nan 4.420 nan 0.000 0.264 34 P C -0.171 176.860 177.300 -0.449 0.000 1.193 34 P CA 0.036 62.914 63.100 -0.370 0.000 0.763 34 P CB 1.243 32.497 31.700 -0.744 0.000 0.810 35 G N 3.072 111.686 108.800 -0.311 0.000 4.144 35 G HA2 0.255 4.219 3.960 0.006 0.000 0.297 35 G HA3 0.255 4.219 3.960 0.006 0.000 0.297 35 G C -0.067 174.811 174.900 -0.038 0.000 1.090 35 G CA -0.644 44.361 45.100 -0.159 0.000 0.870 35 G HN 0.594 nan 8.290 nan 0.000 0.532 36 W N 0.691 122.039 121.300 0.081 0.000 2.576 36 W HA 0.717 5.380 4.660 0.006 0.000 0.360 36 W C -0.113 176.447 176.519 0.068 0.000 1.109 36 W CA -0.803 56.583 57.345 0.068 0.000 1.237 36 W CB 0.430 29.929 29.460 0.066 0.000 1.369 36 W HN 0.087 nan 8.180 nan 0.000 0.609 37 T N -2.243 112.588 114.554 0.461 0.000 2.929 37 T HA 0.252 4.606 4.350 0.006 0.000 0.284 37 T C 0.844 175.773 174.700 0.381 0.000 1.014 37 T CA -0.642 61.678 62.100 0.367 0.000 1.051 37 T CB 1.998 70.974 68.868 0.180 0.000 1.028 37 T HN 0.318 nan 8.240 nan 0.000 0.485 38 V N 2.029 122.124 119.914 0.300 0.000 2.311 38 V HA -0.300 3.824 4.120 0.006 0.000 0.256 38 V C 3.062 179.171 176.094 0.026 0.000 1.077 38 V CA 2.784 65.152 62.300 0.112 0.000 1.067 38 V CB -1.592 30.271 31.823 0.067 0.000 0.659 38 V HN 1.096 nan 8.190 nan 0.000 0.451 39 A N -0.759 122.093 122.820 0.053 0.000 1.902 39 A HA -0.247 4.077 4.320 0.006 0.000 0.217 39 A C 2.142 179.735 177.584 0.015 0.000 1.181 39 A CA 1.885 53.937 52.037 0.024 0.000 0.623 39 A CB -0.467 18.554 19.000 0.035 0.000 0.818 39 A HN 0.668 nan 8.150 nan 0.000 0.443 40 E N -0.291 119.941 120.200 0.055 0.000 2.204 40 E HA -0.059 4.295 4.350 0.006 0.000 0.194 40 E C 1.854 178.426 176.600 -0.047 0.000 0.989 40 E CA 0.600 57.028 56.400 0.046 0.000 0.824 40 E CB -0.191 29.590 29.700 0.136 0.000 0.756 40 E HN 0.582 nan 8.360 nan 0.000 0.477 41 L N 0.808 121.942 121.223 -0.149 0.000 2.109 41 L HA -0.162 4.181 4.340 0.006 0.000 0.207 41 L C 2.597 179.344 176.870 -0.205 0.000 1.086 41 L CA 1.113 55.750 54.840 -0.339 0.000 0.760 41 L CB -0.205 41.484 42.059 -0.616 0.000 0.910 41 L HN 0.202 nan 8.230 nan 0.000 0.437 42 E N 0.270 120.391 120.200 -0.131 0.000 2.077 42 E HA -0.243 4.111 4.350 0.006 0.000 0.193 42 E C 2.136 178.695 176.600 -0.069 0.000 0.989 42 E CA 1.216 57.562 56.400 -0.090 0.000 0.800 42 E CB 0.029 29.694 29.700 -0.060 0.000 0.746 42 E HN 0.459 nan 8.360 nan 0.000 0.452 43 A N 0.811 123.599 122.820 -0.053 0.000 2.019 43 A HA -0.052 4.271 4.320 0.006 0.000 0.219 43 A C 2.250 179.808 177.584 -0.043 0.000 1.164 43 A CA 1.534 53.550 52.037 -0.035 0.000 0.644 43 A CB -0.488 18.503 19.000 -0.016 0.000 0.805 43 A HN 0.391 nan 8.150 nan 0.000 0.449 44 A N -0.463 122.317 122.820 -0.067 0.000 2.119 44 A HA 0.032 4.356 4.320 0.006 0.000 0.216 44 A C 1.926 179.468 177.584 -0.070 0.000 1.152 44 A CA 1.227 53.222 52.037 -0.069 0.000 0.708 44 A CB -0.279 18.660 19.000 -0.101 0.000 0.805 44 A HN 0.534 nan 8.150 nan 0.000 0.460 45 K N -0.485 119.869 120.400 -0.076 0.000 2.044 45 K HA -0.023 4.301 4.320 0.006 0.000 0.210 45 K C 0.938 177.508 176.600 -0.049 0.000 1.049 45 K CA 0.954 57.200 56.287 -0.068 0.000 0.927 45 K CB -0.504 31.957 32.500 -0.066 0.000 0.713 45 K HN 0.830 nan 8.250 nan 0.000 0.443 46 A N -0.070 122.727 122.820 -0.039 0.000 2.475 46 A HA -0.107 4.217 4.320 0.006 0.000 0.295 46 A C 0.963 178.532 177.584 -0.026 0.000 1.457 46 A CA 0.964 52.983 52.037 -0.028 0.000 0.734 46 A CB -2.297 16.688 19.000 -0.025 0.000 1.118 46 A HN 0.800 nan 8.150 nan 0.000 0.400 47 G N -1.236 107.548 108.800 -0.026 0.000 2.189 47 G HA2 -0.320 3.644 3.960 0.006 0.000 0.267 47 G HA3 -0.320 3.644 3.960 0.006 0.000 0.267 47 G C 0.282 175.167 174.900 -0.026 0.000 0.975 47 G CA 1.050 46.136 45.100 -0.024 0.000 0.644 47 G HN 1.270 nan 8.290 nan 0.000 0.537 48 R N 1.391 121.873 120.500 -0.031 0.000 2.340 48 R HA 0.501 4.845 4.340 0.006 0.000 0.300 48 R C 0.816 177.092 176.300 -0.040 0.000 1.069 48 R CA 0.502 56.582 56.100 -0.033 0.000 0.984 48 R CB 0.675 30.953 30.300 -0.038 0.000 1.003 48 R HN 0.376 nan 8.270 nan 0.000 0.459 49 T N 0.109 114.640 114.554 -0.038 0.000 2.928 49 T HA 0.573 4.927 4.350 0.006 0.000 0.284 49 T C 0.322 174.990 174.700 -0.053 0.000 1.008 49 T CA -0.757 61.316 62.100 -0.044 0.000 1.057 49 T CB 1.141 69.984 68.868 -0.040 0.000 1.018 49 T HN 0.343 nan 8.240 nan 0.000 0.493 50 I N 1.741 122.275 120.570 -0.060 0.000 2.436 50 I HA 0.359 4.532 4.170 0.006 0.000 0.289 50 I C -0.177 175.892 176.117 -0.080 0.000 1.010 50 I CA -0.744 60.513 61.300 -0.072 0.000 1.098 50 I CB 2.131 40.087 38.000 -0.074 0.000 1.266 50 I HN 0.650 nan 8.210 nan 0.000 0.434 51 S N 4.890 120.528 115.700 -0.104 0.000 2.475 51 S HA 0.612 5.086 4.470 0.006 0.000 0.298 51 S C -0.366 174.139 174.600 -0.159 0.000 1.119 51 S CA -0.629 57.499 58.200 -0.119 0.000 1.085 51 S CB 2.138 65.260 63.200 -0.130 0.000 1.028 51 S HN 0.279 nan 8.310 nan 0.000 0.489 52 V N 3.318 123.154 119.914 -0.129 0.000 2.459 52 V HA 0.532 4.656 4.120 0.006 0.000 0.295 52 V C -0.504 175.519 176.094 -0.119 0.000 1.029 52 V CA -0.610 61.608 62.300 -0.136 0.000 0.874 52 V CB 1.677 33.456 31.823 -0.073 0.000 0.985 52 V HN 0.659 nan 8.190 nan 0.000 0.438 53 V N 6.340 126.166 119.914 -0.148 0.000 2.487 53 V HA 0.488 4.612 4.120 0.006 0.000 0.298 53 V C -0.432 175.713 176.094 0.085 0.000 1.028 53 V CA -0.470 61.812 62.300 -0.029 0.000 0.860 53 V CB 1.801 33.617 31.823 -0.012 0.000 0.991 53 V HN 0.676 nan 8.190 nan 0.000 0.427 54 L N 7.509 128.784 121.223 0.087 0.000 2.295 54 L HA 0.487 4.831 4.340 0.006 0.000 0.281 54 L C -2.416 174.523 176.870 0.115 0.000 1.018 54 L CA -1.716 53.186 54.840 0.104 0.000 0.841 54 L CB 1.733 43.833 42.059 0.069 0.000 1.218 54 L HN 0.385 nan 8.230 nan 0.000 0.424 55 P HA 0.256 nan 4.420 nan 0.000 0.276 55 P C -0.870 176.488 177.300 0.098 0.000 1.230 55 P CA -0.130 63.043 63.100 0.121 0.000 0.776 55 P CB 1.760 33.536 31.700 0.126 0.000 0.888 56 A N 3.968 126.837 122.820 0.082 0.000 2.402 56 A HA 0.548 4.872 4.320 0.006 0.000 0.291 56 A C -1.565 176.058 177.584 0.066 0.000 1.051 56 A CA -0.591 51.489 52.037 0.072 0.000 0.716 56 A CB 1.039 20.075 19.000 0.060 0.000 1.223 56 A HN 0.475 nan 8.150 nan 0.000 0.425 57 L N 2.496 123.760 121.223 0.069 0.000 2.345 57 L HA 0.583 4.927 4.340 0.006 0.000 0.274 57 L C -0.784 176.122 176.870 0.061 0.000 0.999 57 L CA 0.167 55.045 54.840 0.063 0.000 0.849 57 L CB 0.470 42.570 42.059 0.068 0.000 1.220 57 L HN 0.763 nan 8.230 nan 0.000 0.422 58 D N 3.589 124.019 120.400 0.051 0.000 2.956 58 D HA -0.196 4.447 4.640 0.006 0.000 0.240 58 D C 0.101 176.429 176.300 0.046 0.000 1.141 58 D CA 0.807 54.834 54.000 0.046 0.000 0.820 58 D CB -0.328 40.501 40.800 0.048 0.000 0.988 58 D HN 0.642 nan 8.370 nan 0.000 0.417 59 E N -0.152 120.074 120.200 0.043 0.000 2.995 59 E HA 0.068 4.422 4.350 0.006 0.000 0.203 59 E C 1.429 178.049 176.600 0.033 0.000 0.980 59 E CA -0.018 56.408 56.400 0.043 0.000 1.172 59 E CB 0.335 30.065 29.700 0.051 0.000 1.088 59 E HN 0.531 nan 8.360 nan 0.000 0.463 60 E N -0.457 119.760 120.200 0.028 0.000 2.209 60 E HA -0.234 4.120 4.350 0.006 0.000 0.196 60 E C 0.687 177.297 176.600 0.017 0.000 0.993 60 E CA 1.288 57.701 56.400 0.021 0.000 0.819 60 E CB 0.073 29.784 29.700 0.019 0.000 0.745 60 E HN 0.116 nan 8.360 nan 0.000 0.477 61 D N 0.622 121.033 120.400 0.018 0.000 2.194 61 D HA -0.068 4.576 4.640 0.006 0.000 0.204 61 D C 1.953 178.261 176.300 0.012 0.000 0.964 61 D CA 2.068 56.076 54.000 0.013 0.000 0.846 61 D CB 0.124 40.931 40.800 0.013 0.000 0.962 61 D HN 0.466 nan 8.370 nan 0.000 0.490 62 T N -1.554 113.011 114.554 0.018 0.000 2.990 62 T HA 0.163 4.517 4.350 0.006 0.000 0.249 62 T C 2.106 176.817 174.700 0.018 0.000 1.039 62 T CA -0.244 61.867 62.100 0.018 0.000 1.036 62 T CB -0.052 68.833 68.868 0.029 0.000 0.994 62 T HN 0.016 nan 8.240 nan 0.000 0.489 63 I N 2.023 122.605 120.570 0.021 0.000 2.394 63 I HA 0.054 4.228 4.170 0.006 0.000 0.251 63 I C 2.492 178.615 176.117 0.010 0.000 1.136 63 I CA 1.209 62.522 61.300 0.022 0.000 1.425 63 I CB -0.381 37.635 38.000 0.027 0.000 1.079 63 I HN 0.394 nan 8.210 nan 0.000 0.425 64 G N -0.765 108.037 108.800 0.004 0.000 2.433 64 G HA2 -0.297 3.667 3.960 0.006 0.000 0.216 64 G HA3 -0.297 3.667 3.960 0.006 0.000 0.216 64 G C 1.695 176.588 174.900 -0.012 0.000 1.186 64 G CA 0.853 45.950 45.100 -0.004 0.000 0.779 64 G HN 0.402 nan 8.290 nan 0.000 0.543 65 S N -0.419 115.273 115.700 -0.014 0.000 2.365 65 S HA -0.155 4.319 4.470 0.006 0.000 0.225 65 S C 2.560 177.140 174.600 -0.033 0.000 1.039 65 S CA 1.593 59.777 58.200 -0.026 0.000 1.033 65 S CB -0.329 62.858 63.200 -0.023 0.000 0.887 65 S HN 0.155 nan 8.310 nan 0.000 0.447 66 V N 1.764 121.669 119.914 -0.016 0.000 2.295 66 V HA -0.174 3.950 4.120 0.006 0.000 0.246 66 V C 2.144 178.228 176.094 -0.017 0.000 1.049 66 V CA 1.934 64.227 62.300 -0.012 0.000 1.024 66 V CB -0.661 31.174 31.823 0.021 0.000 0.648 66 V HN 0.485 nan 8.190 nan 0.000 0.447 67 I N 0.205 120.768 120.570 -0.011 0.000 2.226 67 I HA -0.240 3.933 4.170 0.006 0.000 0.245 67 I C 2.284 178.383 176.117 -0.029 0.000 1.100 67 I CA 1.627 62.918 61.300 -0.015 0.000 1.374 67 I CB -0.575 37.419 38.000 -0.009 0.000 1.057 67 I HN 0.295 nan 8.210 nan 0.000 0.413 68 D N 0.496 120.875 120.400 -0.035 0.000 2.182 68 D HA -0.178 4.465 4.640 0.006 0.000 0.201 68 D C 2.389 178.650 176.300 -0.065 0.000 0.986 68 D CA 1.833 55.806 54.000 -0.046 0.000 0.847 68 D CB -0.249 40.523 40.800 -0.046 0.000 0.942 68 D HN 0.409 nan 8.370 nan 0.000 0.467 69 S N -0.190 115.463 115.700 -0.079 0.000 2.402 69 S HA -0.075 4.399 4.470 0.006 0.000 0.229 69 S C 2.059 176.606 174.600 -0.089 0.000 1.021 69 S CA 0.590 58.722 58.200 -0.113 0.000 0.974 69 S CB -0.299 62.809 63.200 -0.152 0.000 0.800 69 S HN 0.270 nan 8.310 nan 0.000 0.484 70 I N 0.656 121.192 120.570 -0.057 0.000 3.081 70 I HA 0.061 4.234 4.170 0.006 0.000 0.274 70 I C 2.688 178.782 176.117 -0.039 0.000 1.178 70 I CA 0.407 61.684 61.300 -0.039 0.000 1.460 70 I CB -0.536 37.453 38.000 -0.018 0.000 1.137 70 I HN 0.262 nan 8.210 nan 0.000 0.443 71 S N 1.646 117.324 115.700 -0.038 0.000 2.406 71 S HA -0.204 4.270 4.470 0.006 0.000 0.242 71 S C -0.397 174.182 174.600 -0.035 0.000 1.079 71 S CA 2.398 60.577 58.200 -0.034 0.000 1.133 71 S CB -1.111 62.069 63.200 -0.034 0.000 1.005 71 S HN 0.245 nan 8.310 nan 0.000 0.443 72 P HA 0.015 nan 4.420 nan 0.000 0.225 72 P C 0.930 178.209 177.300 -0.035 0.000 1.148 72 P CA 0.796 63.874 63.100 -0.038 0.000 0.779 72 P CB -0.061 31.612 31.700 -0.045 0.000 0.780 73 L N -2.123 119.077 121.223 -0.038 0.000 2.509 73 L HA 0.043 4.387 4.340 0.006 0.000 0.222 73 L C 0.683 177.531 176.870 -0.036 0.000 1.123 73 L CA -0.030 54.788 54.840 -0.038 0.000 0.856 73 L CB -0.235 41.800 42.059 -0.041 0.000 0.985 73 L HN -0.226 nan 8.230 nan 0.000 0.456 74 V N 1.051 120.945 119.914 -0.034 0.000 2.715 74 V HA -0.003 4.120 4.120 0.006 0.000 0.299 74 V C 0.642 176.718 176.094 -0.030 0.000 1.054 74 V CA 0.164 62.444 62.300 -0.033 0.000 1.077 74 V CB 0.951 32.756 31.823 -0.030 0.000 0.972 74 V HN 0.467 nan 8.190 nan 0.000 0.484 75 D N 2.103 122.484 120.400 -0.030 0.000 2.946 75 D HA -0.169 4.475 4.640 0.006 0.000 0.202 75 D C 0.831 177.114 176.300 -0.028 0.000 1.068 75 D CA 1.658 55.641 54.000 -0.028 0.000 1.011 75 D CB -1.199 39.587 40.800 -0.023 0.000 1.105 75 D HN 0.798 nan 8.370 nan 0.000 0.425 76 G N -0.077 108.704 108.800 -0.032 0.000 2.930 76 G HA2 0.327 4.291 3.960 0.006 0.000 0.209 76 G HA3 0.327 4.291 3.960 0.006 0.000 0.209 76 G C 1.109 175.984 174.900 -0.043 0.000 2.018 76 G CA 0.236 45.316 45.100 -0.033 0.000 0.751 76 G HN 0.169 nan 8.290 nan 0.000 0.770 77 L N 0.504 121.698 121.223 -0.050 0.000 2.046 77 L HA 0.195 4.539 4.340 0.006 0.000 0.208 77 L C 0.856 177.688 176.870 -0.062 0.000 1.077 77 L CA 1.150 55.950 54.840 -0.065 0.000 0.747 77 L CB -0.218 41.795 42.059 -0.077 0.000 0.896 77 L HN 0.036 nan 8.230 nan 0.000 0.432 78 V N 1.015 120.897 119.914 -0.053 0.000 2.407 78 V HA 0.134 4.257 4.120 0.006 0.000 0.278 78 V C 0.638 176.704 176.094 -0.048 0.000 1.037 78 V CA -0.417 61.851 62.300 -0.053 0.000 0.900 78 V CB 1.222 33.016 31.823 -0.049 0.000 0.983 78 V HN 0.252 nan 8.190 nan 0.000 0.459 79 D N 3.191 123.560 120.400 -0.051 0.000 2.271 79 D HA 0.048 4.692 4.640 0.006 0.000 0.206 79 D C 0.645 176.919 176.300 -0.043 0.000 0.967 79 D CA 0.713 54.686 54.000 -0.045 0.000 0.867 79 D CB 0.874 41.647 40.800 -0.045 0.000 0.960 79 D HN 0.862 nan 8.370 nan 0.000 0.509 80 E N 0.080 120.251 120.200 -0.048 0.000 2.372 80 E HA 0.428 4.781 4.350 0.006 0.000 0.279 80 E C -1.703 174.868 176.600 -0.048 0.000 0.946 80 E CA -0.924 55.449 56.400 -0.045 0.000 0.769 80 E CB 1.966 31.639 29.700 -0.045 0.000 1.230 80 E HN -0.129 nan 8.360 nan 0.000 0.442 81 L N 3.189 124.389 121.223 -0.038 0.000 2.372 81 L HA 0.584 4.928 4.340 0.006 0.000 0.273 81 L C -1.861 174.994 176.870 -0.024 0.000 0.989 81 L CA -0.449 54.371 54.840 -0.033 0.000 0.841 81 L CB 1.289 43.332 42.059 -0.027 0.000 1.225 81 L HN 0.716 nan 8.230 nan 0.000 0.414 82 I N 5.368 125.925 120.570 -0.022 0.000 2.465 82 I HA 0.435 4.609 4.170 0.006 0.000 0.291 82 I C -0.673 175.451 176.117 0.011 0.000 1.014 82 I CA -1.002 60.292 61.300 -0.008 0.000 1.093 82 I CB 2.211 40.202 38.000 -0.014 0.000 1.267 82 I HN 0.224 nan 8.210 nan 0.000 0.431 83 V N 6.718 126.643 119.914 0.018 0.000 2.383 83 V HA 0.211 4.335 4.120 0.006 0.000 0.275 83 V C 0.019 176.137 176.094 0.040 0.000 1.036 83 V CA -0.553 61.767 62.300 0.034 0.000 0.889 83 V CB 1.637 33.478 31.823 0.030 0.000 0.985 83 V HN 0.412 nan 8.190 nan 0.000 0.459 84 L N 5.304 126.563 121.223 0.060 0.000 2.302 84 L HA 0.388 4.732 4.340 0.006 0.000 0.285 84 L C -0.029 176.876 176.870 0.059 0.000 1.090 84 L CA 0.097 54.973 54.840 0.061 0.000 0.866 84 L CB 0.628 42.738 42.059 0.086 0.000 1.244 84 L HN 0.711 nan 8.230 nan 0.000 0.435 85 D N 2.087 122.514 120.400 0.045 0.000 2.343 85 D HA -0.004 4.640 4.640 0.006 0.000 0.255 85 D C 0.288 176.615 176.300 0.045 0.000 1.187 85 D CA 0.369 54.395 54.000 0.043 0.000 0.875 85 D CB 1.080 41.900 40.800 0.033 0.000 1.136 85 D HN 0.370 nan 8.370 nan 0.000 0.469 86 S N 2.758 118.488 115.700 0.050 0.000 2.519 86 S HA 0.439 4.913 4.470 0.006 0.000 0.245 86 S C 0.778 175.404 174.600 0.043 0.000 1.152 86 S CA 0.143 58.373 58.200 0.050 0.000 1.175 86 S CB -0.799 62.434 63.200 0.056 0.000 0.829 86 S HN 0.797 nan 8.310 nan 0.000 0.472 87 G N 1.059 109.882 108.800 0.038 0.000 2.164 87 G HA2 -0.193 3.770 3.960 0.006 0.000 0.212 87 G HA3 -0.193 3.770 3.960 0.006 0.000 0.212 87 G C -0.059 174.862 174.900 0.034 0.000 1.031 87 G CA -0.113 45.007 45.100 0.034 0.000 0.730 87 G HN 0.519 nan 8.290 nan 0.000 0.501 88 S N 0.311 116.031 115.700 0.034 0.000 2.533 88 S HA 0.440 4.914 4.470 0.006 0.000 0.282 88 S C 1.536 176.153 174.600 0.028 0.000 1.304 88 S CA 0.602 58.822 58.200 0.033 0.000 1.063 88 S CB 1.189 64.409 63.200 0.034 0.000 0.881 88 S HN 1.026 nan 8.310 nan 0.000 0.493 89 T N -1.495 113.075 114.554 0.028 0.000 3.054 89 T HA 0.115 4.468 4.350 0.006 0.000 0.255 89 T C 0.351 175.064 174.700 0.022 0.000 1.035 89 T CA -0.361 61.753 62.100 0.024 0.000 0.941 89 T CB -0.123 68.759 68.868 0.023 0.000 1.026 89 T HN 0.644 nan 8.240 nan 0.000 0.533 90 D N 1.212 121.626 120.400 0.024 0.000 2.481 90 D HA 0.183 4.826 4.640 0.006 0.000 0.283 90 D C 0.010 176.321 176.300 0.019 0.000 1.192 90 D CA -0.600 53.413 54.000 0.021 0.000 1.100 90 D CB -0.118 40.696 40.800 0.023 0.000 1.166 90 D HN -0.165 nan 8.370 nan 0.000 0.584 91 D N -1.346 119.065 120.400 0.017 0.000 2.370 91 D HA 0.114 4.757 4.640 0.006 0.000 0.230 91 D C 1.117 177.427 176.300 0.016 0.000 1.143 91 D CA 0.133 54.142 54.000 0.015 0.000 0.834 91 D CB -0.039 40.768 40.800 0.012 0.000 0.944 91 D HN 0.293 nan 8.370 nan 0.000 0.504 92 T N 0.155 114.721 114.554 0.020 0.000 2.635 92 T HA -0.232 4.121 4.350 0.006 0.000 0.267 92 T C 1.780 176.491 174.700 0.019 0.000 1.040 92 T CA 1.436 63.549 62.100 0.022 0.000 1.156 92 T CB 0.022 68.907 68.868 0.029 0.000 0.863 92 T HN 0.361 nan 8.240 nan 0.000 0.430 93 E N 0.815 121.026 120.200 0.018 0.000 2.031 93 E HA -0.144 4.210 4.350 0.006 0.000 0.193 93 E C 2.332 178.938 176.600 0.010 0.000 0.994 93 E CA 1.466 57.875 56.400 0.015 0.000 0.800 93 E CB -0.297 29.412 29.700 0.014 0.000 0.752 93 E HN 0.710 nan 8.360 nan 0.000 0.447 94 I N -1.314 119.262 120.570 0.009 0.000 2.286 94 I HA -0.225 3.948 4.170 0.006 0.000 0.248 94 I C 2.415 178.536 176.117 0.005 0.000 1.115 94 I CA 1.247 62.551 61.300 0.006 0.000 1.392 94 I CB -0.349 37.655 38.000 0.006 0.000 1.065 94 I HN -0.063 nan 8.210 nan 0.000 0.418 95 R N 1.335 121.840 120.500 0.007 0.000 2.115 95 R HA 0.077 4.421 4.340 0.006 0.000 0.226 95 R C 2.546 178.849 176.300 0.005 0.000 1.100 95 R CA 1.206 57.309 56.100 0.005 0.000 0.980 95 R CB -0.371 29.934 30.300 0.007 0.000 0.875 95 R HN 0.543 nan 8.270 nan 0.000 0.445 96 A N 0.571 123.396 122.820 0.008 0.000 1.929 96 A HA -0.070 4.254 4.320 0.006 0.000 0.216 96 A C 2.266 179.851 177.584 0.002 0.000 1.176 96 A CA 1.022 53.063 52.037 0.007 0.000 0.628 96 A CB -0.332 18.675 19.000 0.012 0.000 0.816 96 A HN 0.089 nan 8.150 nan 0.000 0.444 97 V N -0.098 119.817 119.914 0.002 0.000 2.295 97 V HA -0.233 3.891 4.120 0.006 0.000 0.246 97 V C 3.012 179.104 176.094 -0.003 0.000 1.049 97 V CA 1.923 64.223 62.300 -0.001 0.000 1.024 97 V CB -1.122 30.701 31.823 0.000 0.000 0.648 97 V HN 0.588 nan 8.190 nan 0.000 0.447 98 A N -0.302 122.517 122.820 -0.002 0.000 2.067 98 A HA 0.035 4.359 4.320 0.006 0.000 0.219 98 A C 2.285 179.865 177.584 -0.007 0.000 1.158 98 A CA 1.668 53.702 52.037 -0.004 0.000 0.661 98 A CB -0.488 18.510 19.000 -0.003 0.000 0.801 98 A HN 0.561 nan 8.150 nan 0.000 0.452 99 A N -2.056 120.760 122.820 -0.006 0.000 2.072 99 A HA 0.400 4.723 4.320 0.006 0.000 0.216 99 A C 1.804 179.381 177.584 -0.012 0.000 1.156 99 A CA 1.507 53.539 52.037 -0.010 0.000 0.701 99 A CB -0.469 18.526 19.000 -0.008 0.000 0.816 99 A HN 1.713 nan 8.150 nan 0.000 0.458 100 G N -2.738 106.056 108.800 -0.010 0.000 2.205 100 G HA2 0.232 4.196 3.960 0.006 0.000 0.180 100 G HA3 0.232 4.196 3.960 0.006 0.000 0.180 100 G C 0.327 175.220 174.900 -0.011 0.000 1.004 100 G CA 0.088 45.181 45.100 -0.012 0.000 0.670 100 G HN 1.377 nan 8.290 nan 0.000 0.496 101 A N 0.114 122.929 122.820 -0.008 0.000 2.322 101 A HA 0.803 5.127 4.320 0.006 0.000 0.269 101 A C 0.552 178.132 177.584 -0.006 0.000 1.094 101 A CA 0.203 52.236 52.037 -0.007 0.000 0.807 101 A CB 0.499 19.497 19.000 -0.002 0.000 1.047 101 A HN 0.773 nan 8.150 nan 0.000 0.487 102 R N 1.438 121.934 120.500 -0.007 0.000 2.265 102 R HA 0.474 4.818 4.340 0.006 0.000 0.314 102 R C -1.328 174.972 176.300 -0.001 0.000 1.053 102 R CA -0.218 55.878 56.100 -0.006 0.000 0.931 102 R CB 0.516 30.809 30.300 -0.011 0.000 1.024 102 R HN 0.439 nan 8.270 nan 0.000 0.457 103 V N 5.780 125.695 119.914 0.002 0.000 2.394 103 V HA 0.329 4.453 4.120 0.006 0.000 0.282 103 V C -0.414 175.684 176.094 0.006 0.000 1.031 103 V CA -0.654 61.651 62.300 0.008 0.000 0.881 103 V CB 1.632 33.461 31.823 0.011 0.000 0.982 103 V HN 0.530 nan 8.190 nan 0.000 0.451 104 V N 4.379 124.298 119.914 0.009 0.000 2.444 104 V HA 0.453 4.577 4.120 0.006 0.000 0.294 104 V C 0.360 176.462 176.094 0.014 0.000 1.022 104 V CA -0.485 61.819 62.300 0.006 0.000 0.850 104 V CB 1.983 33.805 31.823 -0.001 0.000 0.992 104 V HN 1.007 nan 8.190 nan 0.000 0.426 105 S N 4.960 120.668 115.700 0.013 0.000 2.624 105 S HA 0.360 4.833 4.470 0.006 0.000 0.263 105 S C 1.077 175.689 174.600 0.020 0.000 1.287 105 S CA -0.452 57.760 58.200 0.019 0.000 0.990 105 S CB 1.030 64.240 63.200 0.018 0.000 0.950 105 S HN 0.637 nan 8.310 nan 0.000 0.561 106 R N 0.636 121.154 120.500 0.030 0.000 2.091 106 R HA -0.116 4.228 4.340 0.006 0.000 0.238 106 R C 2.154 178.470 176.300 0.027 0.000 1.136 106 R CA 1.988 58.111 56.100 0.037 0.000 0.959 106 R CB -0.501 29.831 30.300 0.052 0.000 0.856 106 R HN 0.724 nan 8.270 nan 0.000 0.437 107 E N 0.693 120.907 120.200 0.024 0.000 2.051 107 E HA -0.201 4.153 4.350 0.006 0.000 0.192 107 E C 2.036 178.640 176.600 0.005 0.000 0.991 107 E CA 1.320 57.730 56.400 0.018 0.000 0.799 107 E CB -0.104 29.606 29.700 0.017 0.000 0.748 107 E HN 0.355 nan 8.360 nan 0.000 0.449 108 Q N -0.092 119.709 119.800 0.002 0.000 2.124 108 Q HA -0.096 4.248 4.340 0.006 0.000 0.202 108 Q C 2.224 178.212 176.000 -0.020 0.000 0.977 108 Q CA 1.330 57.129 55.803 -0.007 0.000 0.850 108 Q CB -0.232 28.503 28.738 -0.005 0.000 0.901 108 Q HN 0.320 nan 8.270 nan 0.000 0.429 109 A N 0.272 123.078 122.820 -0.023 0.000 1.933 109 A HA -0.084 4.240 4.320 0.006 0.000 0.218 109 A C 1.144 178.682 177.584 -0.076 0.000 1.175 109 A CA 0.998 53.006 52.037 -0.049 0.000 0.628 109 A CB 0.144 19.116 19.000 -0.046 0.000 0.814 109 A HN 0.303 nan 8.150 nan 0.000 0.444 110 L N -1.030 120.159 121.223 -0.055 0.000 2.392 110 L HA 0.359 4.703 4.340 0.006 0.000 0.262 110 L C -2.432 174.428 176.870 -0.017 0.000 1.498 110 L CA -1.062 53.738 54.840 -0.066 0.000 0.820 110 L CB 1.513 43.497 42.059 -0.125 0.000 0.990 110 L HN -0.081 nan 8.230 nan 0.000 0.520 111 P HA -0.152 nan 4.420 nan 0.000 0.218 111 P C 0.748 178.055 177.300 0.012 0.000 1.148 111 P CA 1.214 64.315 63.100 0.002 0.000 0.822 111 P CB 0.176 31.874 31.700 -0.004 0.000 0.784 112 E N -0.636 119.570 120.200 0.010 0.000 2.476 112 E HA 0.069 4.423 4.350 0.006 0.000 0.191 112 E C -0.003 176.622 176.600 0.041 0.000 1.064 112 E CA 0.173 56.585 56.400 0.020 0.000 0.866 112 E CB -0.204 29.503 29.700 0.012 0.000 0.952 112 E HN 0.081 nan 8.360 nan 0.000 0.492 113 V N 2.598 122.548 119.914 0.060 0.000 2.531 113 V HA 0.301 4.425 4.120 0.006 0.000 0.301 113 V C -2.364 173.782 176.094 0.086 0.000 1.034 113 V CA -2.074 60.284 62.300 0.097 0.000 0.865 113 V CB 1.912 33.848 31.823 0.189 0.000 0.995 113 V HN -0.009 nan 8.190 nan 0.000 0.424 114 P HA 0.274 nan 4.420 nan 0.000 0.269 114 P C -0.421 176.917 177.300 0.065 0.000 1.215 114 P CA -0.130 63.001 63.100 0.053 0.000 0.780 114 P CB 0.551 32.273 31.700 0.036 0.000 0.898 115 I N 2.241 122.844 120.570 0.054 0.000 2.474 115 I HA 0.181 4.355 4.170 0.006 0.000 0.287 115 I C 1.139 177.279 176.117 0.038 0.000 1.048 115 I CA 0.056 61.392 61.300 0.058 0.000 1.383 115 I CB 0.462 38.493 38.000 0.051 0.000 1.412 115 I HN 0.161 nan 8.210 nan 0.000 0.531 116 R N 6.648 127.168 120.500 0.035 0.000 2.668 116 R HA 0.506 4.850 4.340 0.006 0.000 0.279 116 R C -2.377 173.930 176.300 0.013 0.000 0.976 116 R CA -1.644 54.462 56.100 0.010 0.000 0.978 116 R CB 0.960 31.250 30.300 -0.017 0.000 1.133 116 R HN 0.349 nan 8.270 nan 0.000 0.484 117 P HA 0.283 nan 4.420 nan 0.000 0.274 117 P C -0.212 177.070 177.300 -0.029 0.000 1.246 117 P CA -0.073 63.025 63.100 -0.004 0.000 0.795 117 P CB 0.920 32.618 31.700 -0.002 0.000 1.006 118 G N 0.049 108.822 108.800 -0.044 0.000 2.515 118 G HA2 -0.137 3.827 3.960 0.006 0.000 0.686 118 G HA3 -0.137 3.827 3.960 0.006 0.000 0.686 118 G C 0.386 175.256 174.900 -0.049 0.000 1.274 118 G CA -0.071 44.966 45.100 -0.105 0.000 0.874 118 G HN 0.586 nan 8.290 nan 0.000 0.631 119 K N -0.144 120.211 120.400 -0.076 0.000 2.057 119 K HA -0.051 4.273 4.320 0.006 0.000 0.207 119 K C 2.692 179.331 176.600 0.064 0.000 1.049 119 K CA 2.370 58.663 56.287 0.010 0.000 0.931 119 K CB -0.694 31.822 32.500 0.027 0.000 0.714 119 K HN 0.841 nan 8.250 nan 0.000 0.440 120 G N 0.958 109.790 108.800 0.053 0.000 2.440 120 G HA2 -0.333 3.631 3.960 0.006 0.000 0.218 120 G HA3 -0.333 3.631 3.960 0.006 0.000 0.218 120 G C 1.319 176.359 174.900 0.233 0.000 1.154 120 G CA 1.225 46.414 45.100 0.149 0.000 0.767 120 G HN 0.442 nan 8.290 nan 0.000 0.552 121 E N 0.902 121.184 120.200 0.137 0.000 2.070 121 E HA -0.110 4.244 4.350 0.006 0.000 0.197 121 E C 2.683 179.419 176.600 0.227 0.000 1.004 121 E CA 1.770 58.276 56.400 0.177 0.000 0.805 121 E CB -0.550 29.209 29.700 0.099 0.000 0.744 121 E HN 0.331 nan 8.360 nan 0.000 0.451 122 A N 0.126 123.040 122.820 0.157 0.000 1.877 122 A HA -0.129 4.195 4.320 0.006 0.000 0.216 122 A C 2.051 179.727 177.584 0.154 0.000 1.186 122 A CA 1.418 53.535 52.037 0.134 0.000 0.620 122 A CB -0.573 18.489 19.000 0.104 0.000 0.822 122 A HN 0.319 nan 8.150 nan 0.000 0.443 123 L N -2.240 119.094 121.223 0.185 0.000 2.056 123 L HA -0.133 4.211 4.340 0.006 0.000 0.207 123 L C 2.205 179.158 176.870 0.139 0.000 1.078 123 L CA 1.361 56.318 54.840 0.195 0.000 0.749 123 L CB -1.835 40.296 42.059 0.120 0.000 0.901 123 L HN 0.771 nan 8.230 nan 0.000 0.433 124 W N 1.485 122.689 121.300 -0.159 0.000 2.333 124 W HA -0.221 4.442 4.660 0.006 0.000 0.316 124 W C 2.864 179.210 176.519 -0.289 0.000 1.215 124 W CA 1.779 58.766 57.345 -0.598 0.000 1.278 124 W CB -0.300 28.931 29.460 -0.382 0.000 1.154 124 W HN 0.030 nan 8.180 nan 0.000 0.486 125 R N 0.226 120.675 120.500 -0.086 0.000 2.117 125 R HA -0.204 4.140 4.340 0.006 0.000 0.243 125 R C 2.522 178.705 176.300 -0.195 0.000 1.143 125 R CA 2.049 58.020 56.100 -0.214 0.000 0.968 125 R CB -0.980 29.316 30.300 -0.006 0.000 0.863 125 R HN 0.365 nan 8.270 nan 0.000 0.444 126 S N 0.997 116.657 115.700 -0.066 0.000 2.419 126 S HA -0.081 4.393 4.470 0.006 0.000 0.233 126 S C 2.032 176.597 174.600 -0.057 0.000 1.016 126 S CA 0.801 59.000 58.200 -0.001 0.000 0.974 126 S CB -0.394 62.903 63.200 0.161 0.000 0.786 126 S HN 0.255 nan 8.310 nan 0.000 0.492 127 L N 1.089 122.228 121.223 -0.141 0.000 2.079 127 L HA -0.090 4.254 4.340 0.006 0.000 0.210 127 L C 3.181 179.923 176.870 -0.212 0.000 1.081 127 L CA 1.404 56.135 54.840 -0.182 0.000 0.752 127 L CB -0.959 40.916 42.059 -0.307 0.000 0.896 127 L HN 0.510 nan 8.230 nan 0.000 0.433 128 A N -0.147 122.501 122.820 -0.288 0.000 1.930 128 A HA 0.052 4.375 4.320 0.006 0.000 0.215 128 A C 2.491 179.987 177.584 -0.146 0.000 1.176 128 A CA 1.281 53.176 52.037 -0.236 0.000 0.632 128 A CB -0.441 18.381 19.000 -0.295 0.000 0.819 128 A HN 0.367 nan 8.150 nan 0.000 0.445 129 A N 0.098 122.845 122.820 -0.121 0.000 2.016 129 A HA 0.224 4.548 4.320 0.006 0.000 0.217 129 A C 1.602 179.147 177.584 -0.065 0.000 1.162 129 A CA 1.126 53.117 52.037 -0.076 0.000 0.662 129 A CB -0.592 18.376 19.000 -0.053 0.000 0.812 129 A HN 0.760 nan 8.150 nan 0.000 0.450 130 S N -2.640 113.017 115.700 -0.071 0.000 2.654 130 S HA 0.659 5.133 4.470 0.006 0.000 0.283 130 S C 0.675 175.236 174.600 -0.066 0.000 1.180 130 S CA 0.095 58.255 58.200 -0.067 0.000 1.021 130 S CB 1.638 64.791 63.200 -0.079 0.000 1.018 130 S HN 0.663 nan 8.310 nan 0.000 0.532 131 R N 0.804 121.268 120.500 -0.060 0.000 2.316 131 R HA 0.518 4.861 4.340 0.006 0.000 0.201 131 R C 1.165 177.436 176.300 -0.048 0.000 0.888 131 R CA 0.315 56.384 56.100 -0.051 0.000 1.041 131 R CB -1.050 29.224 30.300 -0.044 0.000 1.115 131 R HN 1.129 nan 8.270 nan 0.000 0.559 132 G N 0.927 109.693 108.800 -0.058 0.000 2.414 132 G HA2 0.155 4.119 3.960 0.006 0.000 0.236 132 G HA3 0.155 4.119 3.960 0.006 0.000 0.236 132 G C -0.210 174.665 174.900 -0.042 0.000 1.293 132 G CA 0.043 45.110 45.100 -0.056 0.000 0.869 132 G HN 0.356 nan 8.290 nan 0.000 0.556 133 D N 0.891 121.271 120.400 -0.033 0.000 2.219 133 D HA -0.061 4.583 4.640 0.006 0.000 0.205 133 D C 0.972 177.267 176.300 -0.009 0.000 0.970 133 D CA 1.141 55.132 54.000 -0.015 0.000 0.851 133 D CB 0.372 41.163 40.800 -0.015 0.000 0.943 133 D HN 0.301 nan 8.370 nan 0.000 0.488 134 I N 0.830 121.381 120.570 -0.032 0.000 2.465 134 I HA 0.166 4.340 4.170 0.006 0.000 0.291 134 I C -0.679 175.387 176.117 -0.084 0.000 1.014 134 I CA -0.719 60.560 61.300 -0.036 0.000 1.093 134 I CB 2.808 40.783 38.000 -0.041 0.000 1.267 134 I HN -0.399 nan 8.210 nan 0.000 0.431 135 V N 6.870 126.716 119.914 -0.113 0.000 2.417 135 V HA 0.428 4.552 4.120 0.006 0.000 0.291 135 V C -0.166 175.698 176.094 -0.384 0.000 1.024 135 V CA -0.727 61.398 62.300 -0.291 0.000 0.861 135 V CB 1.895 33.489 31.823 -0.380 0.000 0.985 135 V HN 0.375 nan 8.190 nan 0.000 0.436 136 V N 4.975 124.642 119.914 -0.412 0.000 2.435 136 V HA 0.537 4.660 4.120 0.006 0.000 0.290 136 V C -0.676 175.125 176.094 -0.489 0.000 1.030 136 V CA -0.490 61.616 62.300 -0.324 0.000 0.881 136 V CB 1.363 33.108 31.823 -0.130 0.000 0.983 136 V HN 0.638 nan 8.190 nan 0.000 0.445 137 F N 3.359 123.172 119.950 -0.228 0.000 2.436 137 F HA 0.738 5.269 4.527 0.006 0.000 0.340 137 F C 0.007 175.686 175.800 -0.202 0.000 1.113 137 F CA -0.772 57.053 58.000 -0.291 0.000 1.022 137 F CB 2.018 40.632 39.000 -0.644 0.000 1.128 137 F HN 0.176 nan 8.300 nan 0.000 0.466 138 V N 2.755 122.739 119.914 0.117 0.000 2.623 138 V HA 0.269 4.393 4.120 0.006 0.000 0.304 138 V C -0.713 175.461 176.094 0.134 0.000 1.054 138 V CA -1.113 61.264 62.300 0.127 0.000 0.882 138 V CB 1.905 33.810 31.823 0.137 0.000 1.002 138 V HN 0.528 nan 8.190 nan 0.000 0.424 139 D N 2.256 122.738 120.400 0.136 0.000 2.414 139 D HA 0.119 4.763 4.640 0.006 0.000 0.242 139 D C 1.202 177.571 176.300 0.116 0.000 1.129 139 D CA 0.353 54.429 54.000 0.127 0.000 0.885 139 D CB 1.607 42.482 40.800 0.124 0.000 1.198 139 D HN 0.733 nan 8.370 nan 0.000 0.437 140 S N 0.139 115.901 115.700 0.103 0.000 2.593 140 S HA -0.090 4.383 4.470 0.006 0.000 0.217 140 S C 0.754 175.401 174.600 0.079 0.000 0.966 140 S CA -0.171 58.079 58.200 0.083 0.000 0.914 140 S CB 0.039 63.283 63.200 0.073 0.000 0.776 140 S HN 0.470 nan 8.310 nan 0.000 0.523 141 D N 1.154 121.612 120.400 0.097 0.000 2.342 141 D HA 0.140 4.784 4.640 0.006 0.000 0.221 141 D C 0.311 176.674 176.300 0.105 0.000 1.101 141 D CA -0.420 53.637 54.000 0.094 0.000 0.837 141 D CB -0.464 40.400 40.800 0.106 0.000 0.938 141 D HN 0.372 nan 8.370 nan 0.000 0.508 142 L N 0.780 122.067 121.223 0.107 0.000 2.453 142 L HA 0.219 4.563 4.340 0.006 0.000 0.272 142 L C 0.521 177.431 176.870 0.068 0.000 1.182 142 L CA -0.278 54.630 54.840 0.113 0.000 0.858 142 L CB 0.844 42.981 42.059 0.130 0.000 1.120 142 L HN -0.103 nan 8.230 nan 0.000 0.474 143 I N 3.720 124.330 120.570 0.065 0.000 2.301 143 I HA 0.113 4.287 4.170 0.006 0.000 0.292 143 I C 0.138 176.261 176.117 0.010 0.000 1.046 143 I CA -0.213 61.105 61.300 0.030 0.000 1.282 143 I CB 0.245 38.261 38.000 0.026 0.000 1.409 143 I HN 0.691 nan 8.210 nan 0.000 0.484 144 N N 5.028 123.714 118.700 -0.023 0.000 2.641 144 N HA -0.127 4.617 4.740 0.006 0.000 0.267 144 N C -2.456 172.976 175.510 -0.130 0.000 1.087 144 N CA -0.333 52.677 53.050 -0.066 0.000 0.731 144 N CB -0.793 37.666 38.487 -0.046 0.000 0.886 144 N HN 0.432 nan 8.380 nan 0.000 0.547 145 P HA -0.040 nan 4.420 nan 0.000 0.275 145 P C -0.372 176.539 177.300 -0.649 0.000 1.227 145 P CA 0.225 63.032 63.100 -0.488 0.000 0.781 145 P CB 0.560 32.056 31.700 -0.339 0.000 0.906 146 H N 4.546 122.942 119.070 -1.123 0.000 2.928 146 H HA 0.030 4.589 4.556 0.006 0.000 0.338 146 H C -1.405 173.582 175.328 -0.568 0.000 1.047 146 H CA -0.995 54.670 56.048 -0.639 0.000 1.435 146 H CB 0.650 30.228 29.762 -0.307 0.000 1.428 146 H HN 0.215 nan 8.280 nan 0.000 0.590 147 P HA -0.134 nan 4.420 nan 0.000 0.221 147 P C 1.379 178.597 177.300 -0.136 0.000 1.145 147 P CA 1.001 63.959 63.100 -0.236 0.000 0.795 147 P CB 0.231 31.778 31.700 -0.255 0.000 0.775 148 M N -2.811 116.735 119.600 -0.090 0.000 2.618 148 M HA 0.052 4.536 4.480 0.006 0.000 0.240 148 M C 1.155 177.213 176.300 -0.404 0.000 1.123 148 M CA 0.452 55.412 55.300 -0.566 0.000 1.060 148 M CB -1.180 30.532 32.600 -1.481 0.000 1.535 148 M HN -0.083 nan 8.290 nan 0.000 0.507 149 F N 0.444 120.292 119.950 -0.171 0.000 2.065 149 F HA -0.195 4.335 4.527 0.005 0.000 0.298 149 F C 2.505 178.368 175.800 0.104 0.000 1.112 149 F CA 1.247 59.312 58.000 0.107 0.000 1.212 149 F CB -1.419 37.665 39.000 0.140 0.000 0.975 149 F HN -0.064 nan 8.300 nan 0.000 0.476 150 V N 0.523 120.567 119.914 0.217 0.000 2.307 150 V HA -0.202 3.922 4.120 0.006 0.000 0.245 150 V C -0.300 175.843 176.094 0.083 0.000 1.045 150 V CA 1.967 64.337 62.300 0.117 0.000 1.024 150 V CB -1.795 30.057 31.823 0.048 0.000 0.651 150 V HN 0.145 nan 8.190 nan 0.000 0.449 151 P HA -0.180 nan 4.420 nan 0.000 0.216 151 P C 1.450 178.915 177.300 0.273 0.000 1.157 151 P CA 1.711 64.830 63.100 0.032 0.000 0.880 151 P CB -0.159 31.561 31.700 0.033 0.000 0.791 152 W N -0.728 120.769 121.300 0.329 0.000 2.363 152 W HA -0.021 4.642 4.660 0.005 0.000 0.296 152 W C 2.239 178.872 176.519 0.190 0.000 1.212 152 W CA 0.723 58.258 57.345 0.317 0.000 1.260 152 W CB -1.551 28.027 29.460 0.196 0.000 1.131 152 W HN -0.023 nan 8.180 nan 0.000 0.530 153 L N 0.113 121.542 121.223 0.343 0.000 2.056 153 L HA -0.187 4.157 4.340 0.006 0.000 0.207 153 L C 2.366 179.325 176.870 0.147 0.000 1.078 153 L CA 1.464 56.429 54.840 0.209 0.000 0.749 153 L CB -1.103 41.052 42.059 0.160 0.000 0.901 153 L HN -0.141 nan 8.230 nan 0.000 0.433 154 V N -3.660 116.313 119.914 0.097 0.000 2.951 154 V HA 0.144 4.268 4.120 0.006 0.000 0.255 154 V C 2.302 178.387 176.094 -0.015 0.000 1.088 154 V CA 0.947 63.256 62.300 0.014 0.000 1.109 154 V CB -1.252 30.541 31.823 -0.051 0.000 0.724 154 V HN 0.342 nan 8.190 nan 0.000 0.471 155 G N 1.788 110.605 108.800 0.028 0.000 2.681 155 G HA2 -0.265 3.699 3.960 0.006 0.000 0.220 155 G HA3 -0.265 3.699 3.960 0.006 0.000 0.220 155 G C -0.021 174.920 174.900 0.068 0.000 1.210 155 G CA 1.763 46.883 45.100 0.033 0.000 0.783 155 G HN 0.614 nan 8.290 nan 0.000 0.609 156 P HA 0.039 nan 4.420 nan 0.000 0.222 156 P C 1.915 179.227 177.300 0.020 0.000 1.147 156 P CA 0.595 63.746 63.100 0.084 0.000 0.790 156 P CB -0.076 31.678 31.700 0.090 0.000 0.780 157 L N -1.813 119.409 121.223 -0.001 0.000 2.131 157 L HA -0.063 4.281 4.340 0.006 0.000 0.206 157 L C 2.275 179.108 176.870 -0.062 0.000 1.087 157 L CA 1.090 55.904 54.840 -0.043 0.000 0.767 157 L CB -0.738 41.300 42.059 -0.034 0.000 0.917 157 L HN -0.037 nan 8.230 nan 0.000 0.441 158 L N -0.956 120.226 121.223 -0.068 0.000 2.162 158 L HA -0.028 4.316 4.340 0.006 0.000 0.205 158 L C 1.011 177.843 176.870 -0.064 0.000 1.086 158 L CA 0.592 55.379 54.840 -0.088 0.000 0.778 158 L CB -0.420 41.551 42.059 -0.147 0.000 0.928 158 L HN 0.095 nan 8.230 nan 0.000 0.446 159 T N 1.649 116.181 114.554 -0.035 0.000 4.219 159 T HA 0.184 4.538 4.350 0.006 0.000 0.263 159 T C 0.776 175.476 174.700 0.000 0.000 1.217 159 T CA -0.212 61.893 62.100 0.008 0.000 1.145 159 T CB -0.369 68.541 68.868 0.070 0.000 1.298 159 T HN 0.309 nan 8.240 nan 0.000 0.999 160 G N 1.156 109.943 108.800 -0.022 0.000 2.367 160 G HA2 0.238 4.202 3.960 0.006 0.000 0.282 160 G HA3 0.238 4.202 3.960 0.006 0.000 0.282 160 G C -0.077 174.806 174.900 -0.028 0.000 1.140 160 G CA -0.386 44.688 45.100 -0.042 0.000 1.088 160 G HN 0.542 nan 8.290 nan 0.000 0.431 161 D N 1.097 121.478 120.400 -0.032 0.000 2.895 161 D HA 0.380 5.024 4.640 0.006 0.000 0.350 161 D C 1.320 177.607 176.300 -0.022 0.000 1.389 161 D CA 0.576 54.566 54.000 -0.016 0.000 0.812 161 D CB -0.275 40.526 40.800 0.001 0.000 1.164 161 D HN 0.654 nan 8.370 nan 0.000 0.455 162 G N -0.169 108.603 108.800 -0.047 0.000 2.159 162 G HA2 -0.270 3.694 3.960 0.006 0.000 0.256 162 G HA3 -0.270 3.694 3.960 0.006 0.000 0.256 162 G C 0.359 175.241 174.900 -0.031 0.000 0.977 162 G CA 0.225 45.314 45.100 -0.019 0.000 0.652 162 G HN 0.348 nan 8.290 nan 0.000 0.531 163 V N 1.595 121.447 119.914 -0.103 0.000 2.488 163 V HA 0.387 4.511 4.120 0.006 0.000 0.277 163 V C 1.239 177.217 176.094 -0.192 0.000 1.046 163 V CA -0.112 62.149 62.300 -0.064 0.000 0.986 163 V CB 1.232 33.035 31.823 -0.033 0.000 0.989 163 V HN 0.393 nan 8.190 nan 0.000 0.475 164 H N 3.771 122.860 119.070 0.031 0.000 3.058 164 H HA 0.331 4.890 4.556 0.006 0.000 0.258 164 H C -0.254 175.118 175.328 0.074 0.000 1.015 164 H CA -0.009 56.067 56.048 0.048 0.000 1.210 164 H CB 1.621 31.409 29.762 0.042 0.000 1.481 164 H HN 0.395 nan 8.280 nan 0.000 0.492 165 L N 1.533 122.855 121.223 0.164 0.000 2.438 165 L HA 0.407 4.751 4.340 0.006 0.000 0.270 165 L C -1.355 175.588 176.870 0.121 0.000 0.972 165 L CA -0.784 54.148 54.840 0.153 0.000 0.831 165 L CB 2.013 44.147 42.059 0.124 0.000 1.273 165 L HN -0.263 nan 8.230 nan 0.000 0.405 166 V N 5.232 125.240 119.914 0.156 0.000 2.350 166 V HA 0.555 4.678 4.120 0.006 0.000 0.285 166 V C -0.108 176.097 176.094 0.185 0.000 1.014 166 V CA -0.815 61.571 62.300 0.142 0.000 0.831 166 V CB 1.147 33.053 31.823 0.137 0.000 1.000 166 V HN 0.602 nan 8.190 nan 0.000 0.433 167 K N 2.700 123.180 120.400 0.133 0.000 2.118 167 K HA 0.585 4.909 4.320 0.006 0.000 0.267 167 K C 0.318 177.009 176.600 0.152 0.000 0.991 167 K CA -0.174 56.194 56.287 0.136 0.000 0.916 167 K CB 2.039 34.570 32.500 0.052 0.000 1.041 167 K HN 0.788 nan 8.250 nan 0.000 0.455 168 S N 1.269 117.062 115.700 0.156 0.000 2.651 168 S HA 0.765 5.239 4.470 0.006 0.000 0.291 168 S C -0.271 174.346 174.600 0.028 0.000 1.141 168 S CA -0.797 57.457 58.200 0.091 0.000 1.027 168 S CB 0.558 63.818 63.200 0.100 0.000 1.043 168 S HN 0.469 nan 8.310 nan 0.000 0.530 169 F N -0.871 118.948 119.950 -0.218 0.000 2.613 169 F HA 0.886 5.416 4.527 0.005 0.000 0.314 169 F C -1.413 174.156 175.800 -0.385 0.000 1.075 169 F CA -1.588 56.096 58.000 -0.527 0.000 0.945 169 F CB 0.901 39.731 39.000 -0.282 0.000 1.310 169 F HN 0.751 nan 8.300 nan 0.000 0.467 170 Y N -0.541 119.814 120.300 0.091 0.000 2.638 170 Y HA 0.710 5.263 4.550 0.006 0.000 0.335 170 Y C -0.901 175.063 175.900 0.107 0.000 1.155 170 Y CA -1.699 56.403 58.100 0.003 0.000 1.046 170 Y CB 0.978 39.439 38.460 0.001 0.000 1.303 170 Y HN 0.859 nan 8.280 nan 0.000 0.460 171 R N 1.170 121.831 120.500 0.268 0.000 2.308 171 R HA 0.722 5.065 4.340 0.006 0.000 0.305 171 R C -0.176 176.266 176.300 0.236 0.000 1.053 171 R CA -0.244 55.982 56.100 0.210 0.000 0.957 171 R CB 0.728 31.106 30.300 0.130 0.000 1.022 171 R HN 1.018 nan 8.270 nan 0.000 0.461 172 R N 4.835 125.463 120.500 0.213 0.000 2.449 172 R HA 0.269 4.612 4.340 0.006 0.000 0.296 172 R C -2.072 174.303 176.300 0.126 0.000 1.047 172 R CA -1.150 55.056 56.100 0.177 0.000 1.018 172 R CB -1.140 29.257 30.300 0.162 0.000 0.962 172 R HN 0.716 nan 8.270 nan 0.000 0.428 190 R N -0.081 120.432 120.500 0.023 0.000 2.094 190 R HA -0.044 4.300 4.340 0.006 0.000 0.239 190 R C 2.597 178.890 176.300 -0.011 0.000 1.137 190 R CA 2.124 58.227 56.100 0.004 0.000 0.943 190 R CB -0.657 29.642 30.300 -0.003 0.000 0.850 190 R HN 0.238 nan 8.270 nan 0.000 0.433 191 V N 0.068 119.967 119.914 -0.025 0.000 2.427 191 V HA -0.225 3.899 4.120 0.006 0.000 0.248 191 V C 2.126 178.202 176.094 -0.031 0.000 1.051 191 V CA 2.119 64.394 62.300 -0.043 0.000 1.048 191 V CB -0.519 31.256 31.823 -0.080 0.000 0.666 191 V HN 0.431 nan 8.190 nan 0.000 0.456 192 T N -0.451 114.094 114.554 -0.016 0.000 2.708 192 T HA -0.157 4.197 4.350 0.006 0.000 0.266 192 T C 1.925 176.617 174.700 -0.015 0.000 1.037 192 T CA 1.468 63.561 62.100 -0.012 0.000 1.146 192 T CB -0.200 68.674 68.868 0.010 0.000 0.865 192 T HN 0.431 nan 8.240 nan 0.000 0.435 193 E N 0.871 121.068 120.200 -0.006 0.000 2.107 193 E HA 0.082 4.436 4.350 0.006 0.000 0.191 193 E C 2.191 178.783 176.600 -0.013 0.000 0.982 193 E CA 0.724 57.120 56.400 -0.007 0.000 0.809 193 E CB -0.168 29.534 29.700 0.004 0.000 0.756 193 E HN 0.470 nan 8.360 nan 0.000 0.459 194 L N -0.402 120.813 121.223 -0.014 0.000 2.463 194 L HA 0.071 4.415 4.340 0.006 0.000 0.219 194 L C 1.994 178.851 176.870 -0.021 0.000 1.088 194 L CA 0.173 55.004 54.840 -0.015 0.000 0.849 194 L CB 0.236 42.288 42.059 -0.011 0.000 1.012 194 L HN -0.077 nan 8.230 nan 0.000 0.468 195 V N -0.567 119.331 119.914 -0.026 0.000 2.939 195 V HA 0.193 4.317 4.120 0.006 0.000 0.228 195 V C 2.452 178.525 176.094 -0.036 0.000 1.162 195 V CA 1.107 63.388 62.300 -0.031 0.000 1.222 195 V CB -0.286 31.515 31.823 -0.036 0.000 1.053 195 V HN 0.226 nan 8.190 nan 0.000 0.504 196 A N 0.487 123.283 122.820 -0.040 0.000 1.858 196 A HA -0.206 4.117 4.320 0.006 0.000 0.216 196 A C 2.302 179.854 177.584 -0.053 0.000 1.190 196 A CA 2.075 54.084 52.037 -0.047 0.000 0.617 196 A CB -0.536 18.435 19.000 -0.048 0.000 0.827 196 A HN 0.477 nan 8.150 nan 0.000 0.443 197 R N -0.624 119.847 120.500 -0.049 0.000 2.066 197 R HA -0.064 4.280 4.340 0.006 0.000 0.232 197 R C -0.582 175.686 176.300 -0.053 0.000 1.131 197 R CA 1.540 57.607 56.100 -0.055 0.000 0.955 197 R CB -1.414 28.858 30.300 -0.047 0.000 0.851 197 R HN 0.401 nan 8.270 nan 0.000 0.432 198 P HA -0.115 nan 4.420 nan 0.000 0.218 198 P C 1.149 178.423 177.300 -0.043 0.000 1.149 198 P CA 1.132 64.209 63.100 -0.038 0.000 0.817 198 P CB 0.026 31.709 31.700 -0.029 0.000 0.785 199 L N -1.542 119.654 121.223 -0.044 0.000 2.056 199 L HA -0.133 4.210 4.340 0.006 0.000 0.207 199 L C 2.425 179.259 176.870 -0.060 0.000 1.078 199 L CA 1.187 56.000 54.840 -0.046 0.000 0.749 199 L CB -0.861 41.172 42.059 -0.042 0.000 0.901 199 L HN -0.050 nan 8.230 nan 0.000 0.433 200 L N -0.464 120.714 121.223 -0.075 0.000 2.046 200 L HA -0.219 4.124 4.340 0.006 0.000 0.208 200 L C 2.890 179.696 176.870 -0.106 0.000 1.077 200 L CA 1.193 55.971 54.840 -0.104 0.000 0.747 200 L CB -0.748 41.236 42.059 -0.124 0.000 0.896 200 L HN 0.252 nan 8.230 nan 0.000 0.432 201 A N 0.038 122.806 122.820 -0.086 0.000 1.917 201 A HA -0.241 4.083 4.320 0.006 0.000 0.219 201 A C 2.502 180.048 177.584 -0.065 0.000 1.182 201 A CA 2.023 54.014 52.037 -0.076 0.000 0.633 201 A CB -0.714 18.252 19.000 -0.057 0.000 0.819 201 A HN 0.438 nan 8.150 nan 0.000 0.448 202 A N -1.009 121.778 122.820 -0.054 0.000 1.897 202 A HA 0.150 4.473 4.320 0.006 0.000 0.215 202 A C 2.058 179.616 177.584 -0.043 0.000 1.181 202 A CA 1.516 53.528 52.037 -0.042 0.000 0.620 202 A CB -0.318 18.662 19.000 -0.034 0.000 0.821 202 A HN 0.466 nan 8.150 nan 0.000 0.443 203 L N -2.645 118.546 121.223 -0.053 0.000 2.609 203 L HA 0.259 4.603 4.340 0.006 0.000 0.230 203 L C 0.552 177.387 176.870 -0.058 0.000 1.064 203 L CA 0.004 54.817 54.840 -0.045 0.000 0.873 203 L CB 0.336 42.372 42.059 -0.039 0.000 1.139 203 L HN 0.042 nan 8.230 nan 0.000 0.490 204 R N 0.283 120.719 120.500 -0.107 0.000 2.655 204 R HA 0.223 4.567 4.340 0.006 0.000 0.261 204 R C -2.063 174.088 176.300 -0.248 0.000 1.624 204 R CA -1.432 54.555 56.100 -0.189 0.000 1.655 204 R CB 0.488 30.631 30.300 -0.262 0.000 1.356 204 R HN -0.081 nan 8.270 nan 0.000 0.684 205 P HA -0.149 nan 4.420 nan 0.000 0.219 205 P C 0.467 177.650 177.300 -0.194 0.000 1.146 205 P CA 1.174 64.188 63.100 -0.144 0.000 0.808 205 P CB 0.571 32.220 31.700 -0.084 0.000 0.779 206 E N -0.011 120.030 120.200 -0.265 0.000 2.209 206 E HA -0.096 4.258 4.350 0.006 0.000 0.196 206 E C 1.775 178.140 176.600 -0.392 0.000 0.993 206 E CA 0.783 57.005 56.400 -0.297 0.000 0.819 206 E CB -0.826 28.709 29.700 -0.274 0.000 0.745 206 E HN 0.303 nan 8.360 nan 0.000 0.477 207 L N -0.015 120.911 121.223 -0.495 0.000 2.627 207 L HA 0.161 4.505 4.340 0.006 0.000 0.232 207 L C 1.917 178.638 176.870 -0.249 0.000 1.150 207 L CA 0.004 54.604 54.840 -0.400 0.000 0.917 207 L CB -0.060 41.736 42.059 -0.438 0.000 1.104 207 L HN 0.202 nan 8.230 nan 0.000 0.445 208 G N -0.965 107.712 108.800 -0.205 0.000 2.509 208 G HA2 -0.192 3.771 3.960 0.006 0.000 0.218 208 G HA3 -0.192 3.771 3.960 0.006 0.000 0.218 208 G C 1.286 176.123 174.900 -0.105 0.000 1.124 208 G CA 0.382 45.402 45.100 -0.134 0.000 0.776 208 G HN 0.463 nan 8.290 nan 0.000 0.547 209 C N 1.087 120.298 119.300 -0.148 0.000 2.576 209 C HA 0.333 4.797 4.460 0.006 0.000 0.267 209 C C 0.778 175.709 174.990 -0.098 0.000 1.364 209 C CA -1.180 57.767 59.018 -0.119 0.000 1.723 209 C CB -0.990 26.555 27.740 -0.325 0.000 1.778 209 C HN 0.236 nan 8.230 nan 0.000 0.572 210 I N 2.255 122.746 120.570 -0.131 0.000 2.421 210 I HA 0.036 4.210 4.170 0.006 0.000 0.291 210 I C 1.086 177.156 176.117 -0.078 0.000 1.089 210 I CA 0.043 61.281 61.300 -0.104 0.000 1.354 210 I CB 0.080 38.007 38.000 -0.122 0.000 1.413 210 I HN 0.161 nan 8.210 nan 0.000 0.513 211 L N 5.626 126.800 121.223 -0.082 0.000 2.056 211 L HA -0.113 4.231 4.340 0.006 0.000 0.207 211 L C 1.226 178.041 176.870 -0.091 0.000 1.078 211 L CA 1.702 56.477 54.840 -0.109 0.000 0.749 211 L CB -0.289 41.640 42.059 -0.217 0.000 0.901 211 L HN 0.566 nan 8.230 nan 0.000 0.433 212 Q N -0.777 118.970 119.800 -0.088 0.000 3.300 212 Q HA 0.244 4.588 4.340 0.006 0.000 0.271 212 Q C -1.836 174.138 176.000 -0.044 0.000 0.926 212 Q CA -1.296 54.456 55.803 -0.086 0.000 0.788 212 Q CB 0.903 29.501 28.738 -0.233 0.000 1.385 212 Q HN 0.186 nan 8.270 nan 0.000 0.424 213 P HA -0.109 nan 4.420 nan 0.000 0.220 213 P C 0.946 178.202 177.300 -0.072 0.000 1.148 213 P CA 0.905 63.959 63.100 -0.076 0.000 0.803 213 P CB 0.440 32.089 31.700 -0.085 0.000 0.782 214 L N -1.466 119.740 121.223 -0.028 0.000 2.592 214 L HA 0.238 4.582 4.340 0.006 0.000 0.227 214 L C 1.489 178.390 176.870 0.051 0.000 1.127 214 L CA -0.270 54.565 54.840 -0.009 0.000 0.884 214 L CB -0.792 41.265 42.059 -0.003 0.000 1.065 214 L HN -0.080 nan 8.230 nan 0.000 0.457 215 G N -0.210 108.655 108.800 0.109 0.000 2.491 215 G HA2 0.256 4.220 3.960 0.006 0.000 0.238 215 G HA3 0.256 4.220 3.960 0.006 0.000 0.238 215 G C 0.922 175.997 174.900 0.292 0.000 1.277 215 G CA 0.148 45.387 45.100 0.232 0.000 0.851 215 G HN 0.267 nan 8.290 nan 0.000 0.573 216 G N 0.328 109.300 108.800 0.287 0.000 3.042 216 G HA2 0.229 4.193 3.960 0.006 0.000 0.212 216 G HA3 0.229 4.193 3.960 0.006 0.000 0.212 216 G C 0.286 175.361 174.900 0.293 0.000 1.166 216 G CA -0.103 45.206 45.100 0.348 0.000 0.767 216 G HN 0.521 nan 8.290 nan 0.000 0.546 217 E N 0.589 120.984 120.200 0.325 0.000 2.081 217 E HA 0.541 4.895 4.350 0.006 0.000 0.276 217 E C -0.957 175.851 176.600 0.346 0.000 0.950 217 E CA -0.600 55.932 56.400 0.220 0.000 0.776 217 E CB 0.694 30.476 29.700 0.137 0.000 1.094 217 E HN 0.492 nan 8.360 nan 0.000 0.402 218 Y N 0.309 120.732 120.300 0.206 0.000 2.662 218 Y HA 0.788 5.341 4.550 0.006 0.000 0.334 218 Y C -1.401 174.635 175.900 0.227 0.000 1.185 218 Y CA -1.656 56.561 58.100 0.194 0.000 1.074 218 Y CB 0.651 39.218 38.460 0.177 0.000 1.330 218 Y HN 0.376 nan 8.280 nan 0.000 0.458 219 A N 1.380 124.383 122.820 0.306 0.000 2.435 219 A HA 1.050 5.374 4.320 0.006 0.000 0.304 219 A C -1.164 176.567 177.584 0.245 0.000 1.064 219 A CA -0.296 51.848 52.037 0.179 0.000 0.727 219 A CB 1.421 20.476 19.000 0.092 0.000 1.284 219 A HN 2.005 nan 8.150 nan 0.000 0.415 220 A N 0.277 123.216 122.820 0.200 0.000 2.609 220 A HA 0.852 5.176 4.320 0.006 0.000 0.291 220 A C -0.039 177.637 177.584 0.154 0.000 1.096 220 A CA 0.082 52.250 52.037 0.219 0.000 0.684 220 A CB 0.567 19.765 19.000 0.330 0.000 1.282 220 A HN 1.951 nan 8.150 nan 0.000 0.412 221 T N -1.307 113.351 114.554 0.175 0.000 2.913 221 T HA 0.357 4.710 4.350 0.006 0.000 0.297 221 T C 1.096 175.889 174.700 0.155 0.000 1.029 221 T CA 0.117 62.307 62.100 0.150 0.000 1.104 221 T CB 1.001 70.002 68.868 0.222 0.000 0.964 221 T HN 0.830 nan 8.240 nan 0.000 0.532 222 R N 1.295 121.856 120.500 0.101 0.000 2.091 222 R HA -0.126 4.218 4.340 0.006 0.000 0.238 222 R C 2.715 179.077 176.300 0.102 0.000 1.136 222 R CA 2.198 58.351 56.100 0.089 0.000 0.959 222 R CB -1.142 29.181 30.300 0.039 0.000 0.856 222 R HN 0.926 nan 8.270 nan 0.000 0.437 223 E N 1.133 121.395 120.200 0.103 0.000 2.070 223 E HA -0.243 4.111 4.350 0.006 0.000 0.197 223 E C 1.763 178.412 176.600 0.081 0.000 1.004 223 E CA 1.598 58.050 56.400 0.087 0.000 0.805 223 E CB -0.978 28.782 29.700 0.100 0.000 0.744 223 E HN 0.370 nan 8.360 nan 0.000 0.451 224 L N 0.032 121.323 121.223 0.112 0.000 1.976 224 L HA -0.010 4.334 4.340 0.006 0.000 0.209 224 L C 2.649 179.619 176.870 0.168 0.000 1.071 224 L CA 1.984 56.881 54.840 0.095 0.000 0.746 224 L CB -0.524 41.613 42.059 0.130 0.000 0.890 224 L HN 0.420 nan 8.230 nan 0.000 0.432 225 L N -0.588 120.777 121.223 0.238 0.000 2.042 225 L HA -0.214 4.130 4.340 0.006 0.000 0.210 225 L C 2.342 179.421 176.870 0.348 0.000 1.076 225 L CA 1.934 56.999 54.840 0.375 0.000 0.749 225 L CB -1.140 41.164 42.059 0.408 0.000 0.893 225 L HN 0.553 nan 8.230 nan 0.000 0.432 226 T N -5.767 108.901 114.554 0.190 0.000 3.113 226 T HA 0.030 4.384 4.350 0.006 0.000 0.256 226 T C 1.559 176.342 174.700 0.137 0.000 1.131 226 T CA 0.667 62.839 62.100 0.121 0.000 1.074 226 T CB 0.139 69.033 68.868 0.043 0.000 0.944 226 T HN 0.109 nan 8.240 nan 0.000 0.516 227 S N 0.852 116.637 115.700 0.143 0.000 2.540 227 S HA 0.353 4.827 4.470 0.006 0.000 0.218 227 S C 0.635 175.311 174.600 0.128 0.000 0.977 227 S CA -0.264 58.001 58.200 0.108 0.000 0.918 227 S CB 0.281 63.516 63.200 0.059 0.000 0.806 227 S HN 0.668 nan 8.310 nan 0.000 0.496 228 V N 0.072 120.106 119.914 0.200 0.000 2.815 228 V HA 0.694 4.818 4.120 0.006 0.000 0.314 228 V C -3.000 173.273 176.094 0.298 0.000 1.064 228 V CA -2.971 59.445 62.300 0.193 0.000 0.952 228 V CB 1.675 33.584 31.823 0.144 0.000 1.020 228 V HN -0.148 nan 8.190 nan 0.000 0.439 229 P HA 0.321 nan 4.420 nan 0.000 0.274 229 P C -1.280 176.195 177.300 0.291 0.000 1.237 229 P CA -0.005 63.213 63.100 0.196 0.000 0.793 229 P CB 0.545 32.281 31.700 0.059 0.000 0.977 230 F N 0.533 120.438 119.950 -0.076 0.000 2.411 230 F HA 0.469 5.000 4.527 0.006 0.000 0.352 230 F C 0.899 176.622 175.800 -0.129 0.000 1.123 230 F CA -0.725 57.242 58.000 -0.056 0.000 1.044 230 F CB 1.051 40.065 39.000 0.024 0.000 1.135 230 F HN 0.327 nan 8.300 nan 0.000 0.461 231 A N 6.361 129.157 122.820 -0.039 0.000 2.425 231 A HA 0.492 4.816 4.320 0.006 0.000 0.242 231 A C -2.326 175.242 177.584 -0.028 0.000 1.077 231 A CA -1.031 50.974 52.037 -0.054 0.000 0.781 231 A CB -0.490 18.462 19.000 -0.079 0.000 1.020 231 A HN 0.438 nan 8.150 nan 0.000 0.494 232 P HA 0.423 nan 4.420 nan 0.000 0.279 232 P C 0.904 178.166 177.300 -0.063 0.000 1.252 232 P CA 1.074 64.144 63.100 -0.049 0.000 0.811 232 P CB 0.859 32.522 31.700 -0.063 0.000 1.035 233 G N 1.464 110.205 108.800 -0.099 0.000 2.611 233 G HA2 -0.341 3.623 3.960 0.006 0.000 0.301 233 G HA3 -0.341 3.623 3.960 0.006 0.000 0.301 233 G C 0.499 175.287 174.900 -0.187 0.000 1.233 233 G CA 0.574 45.533 45.100 -0.235 0.000 0.993 233 G HN 0.532 nan 8.290 nan 0.000 0.553 234 Y N 2.041 122.333 120.300 -0.013 0.000 2.632 234 Y HA 0.256 4.811 4.550 0.008 0.000 0.301 234 Y C 2.743 178.620 175.900 -0.039 0.000 1.172 234 Y CA 0.528 58.613 58.100 -0.024 0.000 1.328 234 Y CB -0.115 38.319 38.460 -0.042 0.000 1.016 234 Y HN 0.549 nan 8.280 nan 0.000 0.529 235 G N -0.813 108.021 108.800 0.057 0.000 2.880 235 G HA2 -0.109 3.854 3.960 0.006 0.000 0.209 235 G HA3 -0.109 3.854 3.960 0.006 0.000 0.209 235 G C 1.621 176.490 174.900 -0.050 0.000 1.157 235 G CA 0.496 45.597 45.100 0.001 0.000 0.779 235 G HN 0.334 nan 8.290 nan 0.000 0.539 236 V N 0.782 120.667 119.914 -0.047 0.000 2.255 236 V HA -0.197 3.926 4.120 0.006 0.000 0.247 236 V C 2.696 178.660 176.094 -0.217 0.000 1.051 236 V CA 2.946 65.171 62.300 -0.125 0.000 1.018 236 V CB -0.202 31.590 31.823 -0.052 0.000 0.641 236 V HN 0.447 nan 8.190 nan 0.000 0.445 237 E N 0.040 120.142 120.200 -0.164 0.000 2.051 237 E HA -0.199 4.155 4.350 0.006 0.000 0.192 237 E C 1.983 178.423 176.600 -0.267 0.000 0.991 237 E CA 1.972 58.199 56.400 -0.288 0.000 0.799 237 E CB -0.392 29.185 29.700 -0.205 0.000 0.748 237 E HN 0.717 nan 8.360 nan 0.000 0.449 238 I N 0.223 120.694 120.570 -0.165 0.000 2.315 238 I HA -0.143 4.031 4.170 0.006 0.000 0.248 238 I C 2.095 178.130 176.117 -0.138 0.000 1.117 238 I CA 1.317 62.535 61.300 -0.138 0.000 1.404 238 I CB -0.231 37.715 38.000 -0.091 0.000 1.071 238 I HN 0.195 nan 8.210 nan 0.000 0.419 239 G N 0.747 109.459 108.800 -0.146 0.000 2.418 239 G HA2 -0.293 3.671 3.960 0.006 0.000 0.217 239 G HA3 -0.293 3.671 3.960 0.006 0.000 0.217 239 G C 1.566 176.361 174.900 -0.175 0.000 1.158 239 G CA 0.944 45.959 45.100 -0.142 0.000 0.771 239 G HN 0.372 nan 8.290 nan 0.000 0.545 240 L N 0.129 121.193 121.223 -0.265 0.000 2.017 240 L HA 0.064 4.408 4.340 0.006 0.000 0.208 240 L C 2.558 179.332 176.870 -0.160 0.000 1.073 240 L CA 1.548 56.228 54.840 -0.266 0.000 0.745 240 L CB -0.661 41.171 42.059 -0.378 0.000 0.894 240 L HN 0.196 nan 8.230 nan 0.000 0.432 241 L N -1.142 119.975 121.223 -0.176 0.000 1.990 241 L HA -0.198 4.146 4.340 0.006 0.000 0.213 241 L C 2.375 179.226 176.870 -0.031 0.000 1.072 241 L CA 2.091 56.864 54.840 -0.111 0.000 0.755 241 L CB -0.775 41.200 42.059 -0.139 0.000 0.889 241 L HN 0.136 nan 8.230 nan 0.000 0.432 242 V N -0.295 119.596 119.914 -0.039 0.000 2.307 242 V HA -0.245 3.879 4.120 0.006 0.000 0.245 242 V C 2.298 178.435 176.094 0.072 0.000 1.045 242 V CA 1.801 64.118 62.300 0.029 0.000 1.024 242 V CB -0.827 30.991 31.823 -0.008 0.000 0.651 242 V HN 0.442 nan 8.190 nan 0.000 0.449 243 D N 0.165 120.569 120.400 0.006 0.000 2.123 243 D HA -0.157 4.487 4.640 0.006 0.000 0.196 243 D C 2.275 178.578 176.300 0.006 0.000 0.992 243 D CA 2.022 56.023 54.000 0.001 0.000 0.833 243 D CB -0.432 40.355 40.800 -0.022 0.000 0.954 243 D HN 0.405 nan 8.370 nan 0.000 0.455 244 T N 0.667 115.229 114.554 0.014 0.000 2.674 244 T HA -0.169 4.185 4.350 0.006 0.000 0.265 244 T C 1.736 176.451 174.700 0.026 0.000 1.039 244 T CA 0.912 63.023 62.100 0.018 0.000 1.150 244 T CB -0.576 68.313 68.868 0.035 0.000 0.864 244 T HN 0.135 nan 8.240 nan 0.000 0.427 245 F N 2.638 122.555 119.950 -0.057 0.000 2.095 245 F HA -0.184 4.348 4.527 0.007 0.000 0.298 245 F C 1.896 177.666 175.800 -0.051 0.000 1.104 245 F CA 1.600 59.565 58.000 -0.058 0.000 1.232 245 F CB -0.467 38.492 39.000 -0.068 0.000 0.987 245 F HN 0.056 nan 8.300 nan 0.000 0.475 246 D N -0.149 120.175 120.400 -0.127 0.000 2.144 246 D HA -0.178 4.465 4.640 0.006 0.000 0.199 246 D C 2.365 178.526 176.300 -0.231 0.000 0.984 246 D CA 1.258 55.131 54.000 -0.211 0.000 0.834 246 D CB -0.432 40.353 40.800 -0.025 0.000 0.955 246 D HN 0.357 nan 8.370 nan 0.000 0.465 247 R N -0.085 120.320 120.500 -0.159 0.000 2.112 247 R HA 0.106 4.450 4.340 0.006 0.000 0.216 247 R C 1.634 177.841 176.300 -0.156 0.000 1.080 247 R CA 0.543 56.566 56.100 -0.129 0.000 0.996 247 R CB 0.168 30.419 30.300 -0.081 0.000 0.902 247 R HN 0.170 nan 8.270 nan 0.000 0.449 248 L N -0.396 120.724 121.223 -0.172 0.000 2.920 248 L HA 0.368 4.712 4.340 0.006 0.000 0.257 248 L C 0.571 177.342 176.870 -0.166 0.000 1.150 248 L CA 0.122 54.875 54.840 -0.145 0.000 0.959 248 L CB 1.131 43.126 42.059 -0.107 0.000 1.321 248 L HN 0.413 nan 8.230 nan 0.000 0.555 249 G N 0.564 109.180 108.800 -0.307 0.000 2.829 249 G HA2 -0.287 3.676 3.960 0.006 0.000 0.628 249 G HA3 -0.287 3.676 3.960 0.006 0.000 0.628 249 G C 0.083 174.936 174.900 -0.079 0.000 1.412 249 G CA -0.157 44.729 45.100 -0.356 0.000 0.864 249 G HN -0.017 nan 8.290 nan 0.000 0.544 250 L N 0.074 121.342 121.223 0.075 0.000 2.191 250 L HA 0.067 4.411 4.340 0.006 0.000 0.212 250 L C 2.409 179.287 176.870 0.014 0.000 1.103 250 L CA 2.801 57.729 54.840 0.146 0.000 0.769 250 L CB -0.494 41.642 42.059 0.129 0.000 0.908 250 L HN 0.618 nan 8.230 nan 0.000 0.438 251 D N -0.374 120.020 120.400 -0.010 0.000 2.218 251 D HA -0.110 4.534 4.640 0.006 0.000 0.204 251 D C 2.023 178.325 176.300 0.003 0.000 0.976 251 D CA 1.226 55.212 54.000 -0.022 0.000 0.853 251 D CB -0.033 40.756 40.800 -0.018 0.000 0.939 251 D HN 0.448 nan 8.370 nan 0.000 0.481 252 A N -0.156 122.685 122.820 0.034 0.000 2.238 252 A HA 0.146 4.470 4.320 0.006 0.000 0.208 252 A C 0.860 178.488 177.584 0.073 0.000 1.177 252 A CA 0.058 52.150 52.037 0.092 0.000 0.804 252 A CB -0.121 18.955 19.000 0.127 0.000 0.823 252 A HN 0.139 nan 8.150 nan 0.000 0.482 253 I N 0.199 120.785 120.570 0.026 0.000 2.389 253 I HA 0.566 4.740 4.170 0.006 0.000 0.288 253 I C 0.196 176.287 176.117 -0.043 0.000 0.999 253 I CA -0.448 60.857 61.300 0.008 0.000 1.129 253 I CB 1.885 39.886 38.000 0.002 0.000 1.288 253 I HN 0.125 nan 8.210 nan 0.000 0.444 254 A N 5.884 128.693 122.820 -0.018 0.000 2.346 254 A HA 0.834 5.158 4.320 0.006 0.000 0.313 254 A C -0.949 176.641 177.584 0.009 0.000 1.140 254 A CA -0.598 51.415 52.037 -0.039 0.000 0.826 254 A CB 1.620 20.617 19.000 -0.005 0.000 1.332 254 A HN 0.693 nan 8.150 nan 0.000 0.457 255 Q N -0.162 119.660 119.800 0.036 0.000 2.356 255 Q HA 0.574 4.918 4.340 0.006 0.000 0.270 255 Q C -1.330 174.796 176.000 0.210 0.000 1.058 255 Q CA -0.914 54.989 55.803 0.167 0.000 0.802 255 Q CB 2.578 31.469 28.738 0.255 0.000 1.303 255 Q HN 0.688 nan 8.270 nan 0.000 0.444 256 V N -0.280 119.724 119.914 0.149 0.000 2.495 256 V HA 0.454 4.578 4.120 0.006 0.000 0.298 256 V C -0.259 175.591 176.094 -0.406 0.000 1.031 256 V CA -1.177 61.120 62.300 -0.003 0.000 0.871 256 V CB 1.619 33.450 31.823 0.014 0.000 0.988 256 V HN 0.676 nan 8.190 nan 0.000 0.432 257 N N 3.175 121.474 118.700 -0.668 0.000 2.438 257 N HA 0.193 4.936 4.740 0.006 0.000 0.267 257 N C 0.260 175.322 175.510 -0.745 0.000 1.222 257 N CA 0.127 52.476 53.050 -1.167 0.000 0.930 257 N CB 0.811 38.862 38.487 -0.727 0.000 1.083 257 N HN 0.865 nan 8.380 nan 0.000 0.476 258 L N 2.523 123.390 121.223 -0.594 0.000 2.693 258 L HA 0.272 4.616 4.340 0.006 0.000 0.235 258 L C 1.396 178.204 176.870 -0.104 0.000 1.127 258 L CA 0.199 54.837 54.840 -0.336 0.000 0.914 258 L CB -0.478 41.333 42.059 -0.413 0.000 1.193 258 L HN 0.834 nan 8.230 nan 0.000 0.502 259 G N 0.433 109.130 108.800 -0.173 0.000 2.503 259 G HA2 -0.254 3.710 3.960 0.006 0.000 0.235 259 G HA3 -0.254 3.710 3.960 0.006 0.000 0.235 259 G C -0.256 174.708 174.900 0.106 0.000 1.179 259 G CA -0.327 44.751 45.100 -0.036 0.000 0.944 259 G HN -0.091 nan 8.290 nan 0.000 0.580 260 V N 1.199 121.206 119.914 0.154 0.000 2.389 260 V HA 0.635 4.759 4.120 0.006 0.000 0.264 260 V C 0.731 176.961 176.094 0.227 0.000 1.049 260 V CA 0.087 62.490 62.300 0.172 0.000 0.932 260 V CB 1.059 32.962 31.823 0.133 0.000 1.011 260 V HN 0.817 nan 8.190 nan 0.000 0.475 261 R N 3.613 124.233 120.500 0.199 0.000 2.343 261 R HA 0.465 4.808 4.340 0.006 0.000 0.320 261 R C -0.611 175.730 176.300 0.067 0.000 0.956 261 R CA -0.471 55.717 56.100 0.146 0.000 0.836 261 R CB 1.526 31.770 30.300 -0.092 0.000 1.151 261 R HN 0.872 nan 8.270 nan 0.000 0.450 262 E N 3.090 123.360 120.200 0.116 0.000 2.166 262 E HA 0.197 4.551 4.350 0.006 0.000 0.275 262 E C -1.108 175.590 176.600 0.163 0.000 0.941 262 E CA -0.528 55.944 56.400 0.120 0.000 0.784 262 E CB 1.066 30.818 29.700 0.087 0.000 1.115 262 E HN 0.754 nan 8.360 nan 0.000 0.399 263 H N -0.233 118.832 119.070 -0.009 0.000 2.931 263 H HA 0.739 5.300 4.556 0.008 0.000 0.331 263 H C -0.304 175.029 175.328 0.008 0.000 1.273 263 H CA -1.123 54.925 56.048 -0.001 0.000 1.171 263 H CB 0.513 30.266 29.762 -0.015 0.000 1.898 263 H HN 0.419 nan 8.280 nan 0.000 0.562 264 R N 0.919 121.281 120.500 -0.230 0.000 2.594 264 R HA 0.128 4.472 4.340 0.006 0.000 0.272 264 R C -0.325 175.696 176.300 -0.465 0.000 1.074 264 R CA 0.076 56.026 56.100 -0.251 0.000 1.105 264 R CB -1.125 29.125 30.300 -0.084 0.000 1.008 264 R HN 0.852 nan 8.270 nan 0.000 0.472 265 N N 1.984 120.527 118.700 -0.263 0.000 2.365 265 N HA -0.011 4.733 4.740 0.006 0.000 0.265 265 N C -0.187 175.242 175.510 -0.135 0.000 1.288 265 N CA -0.099 52.834 53.050 -0.194 0.000 0.869 265 N CB 0.523 38.955 38.487 -0.092 0.000 1.071 265 N HN 0.416 nan 8.380 nan 0.000 0.480 266 R N 4.056 124.493 120.500 -0.105 0.000 2.288 266 R HA 0.150 4.494 4.340 0.006 0.000 0.330 266 R C -2.195 174.089 176.300 -0.026 0.000 1.069 266 R CA -1.720 54.358 56.100 -0.035 0.000 0.941 266 R CB -0.024 30.280 30.300 0.007 0.000 0.998 266 R HN 0.500 nan 8.270 nan 0.000 0.452 267 P HA -0.043 nan 4.420 nan 0.000 0.264 267 P C 0.752 178.055 177.300 0.005 0.000 1.183 267 P CA 0.086 63.193 63.100 0.011 0.000 0.763 267 P CB 0.663 32.387 31.700 0.040 0.000 0.807 268 L N 2.221 123.455 121.223 0.018 0.000 2.275 268 L HA -0.149 4.195 4.340 0.006 0.000 0.215 268 L C 2.501 179.391 176.870 0.032 0.000 1.119 268 L CA 1.414 56.263 54.840 0.015 0.000 0.790 268 L CB -0.765 41.311 42.059 0.028 0.000 0.919 268 L HN 0.396 nan 8.230 nan 0.000 0.443 269 A N 0.489 123.359 122.820 0.084 0.000 1.940 269 A HA -0.212 4.112 4.320 0.006 0.000 0.219 269 A C 2.085 179.744 177.584 0.124 0.000 1.176 269 A CA 1.638 53.786 52.037 0.184 0.000 0.631 269 A CB -0.342 18.819 19.000 0.267 0.000 0.814 269 A HN 0.524 nan 8.150 nan 0.000 0.446 270 E N -0.080 120.086 120.200 -0.058 0.000 2.481 270 E HA 0.073 4.427 4.350 0.006 0.000 0.195 270 E C 1.571 177.864 176.600 -0.512 0.000 1.047 270 E CA 0.104 56.249 56.400 -0.424 0.000 0.867 270 E CB -0.167 29.378 29.700 -0.259 0.000 0.858 270 E HN 0.624 nan 8.360 nan 0.000 0.513 271 L N 0.617 121.662 121.223 -0.297 0.000 2.141 271 L HA -0.069 4.275 4.340 0.006 0.000 0.209 271 L C 2.540 179.251 176.870 -0.265 0.000 1.094 271 L CA 1.129 55.814 54.840 -0.259 0.000 0.763 271 L CB -0.688 41.288 42.059 -0.138 0.000 0.908 271 L HN 0.238 nan 8.230 nan 0.000 0.437 272 G N -0.011 108.636 108.800 -0.255 0.000 2.446 272 G HA2 -0.272 3.692 3.960 0.006 0.000 0.217 272 G HA3 -0.272 3.692 3.960 0.006 0.000 0.217 272 G C 1.790 176.500 174.900 -0.316 0.000 1.168 272 G CA 0.869 45.844 45.100 -0.209 0.000 0.771 272 G HN 0.459 nan 8.290 nan 0.000 0.551 273 A N 0.376 122.797 122.820 -0.665 0.000 1.902 273 A HA 0.026 4.350 4.320 0.006 0.000 0.217 273 A C 2.346 179.797 177.584 -0.221 0.000 1.181 273 A CA 1.920 53.614 52.037 -0.572 0.000 0.623 273 A CB -0.396 17.967 19.000 -1.063 0.000 0.818 273 A HN 0.417 nan 8.150 nan 0.000 0.443 274 M N -0.242 119.173 119.600 -0.308 0.000 2.086 274 M HA -0.148 4.336 4.480 0.006 0.000 0.261 274 M C 2.215 178.442 176.300 -0.122 0.000 1.067 274 M CA 2.138 57.280 55.300 -0.263 0.000 1.116 274 M CB -0.193 32.035 32.600 -0.621 0.000 1.348 274 M HN 0.410 nan 8.290 nan 0.000 0.407 275 S N 0.371 115.985 115.700 -0.143 0.000 2.353 275 S HA -0.200 4.274 4.470 0.006 0.000 0.222 275 S C 1.774 176.346 174.600 -0.047 0.000 1.035 275 S CA 1.724 59.874 58.200 -0.083 0.000 1.025 275 S CB -0.538 62.616 63.200 -0.078 0.000 0.902 275 S HN 0.441 nan 8.310 nan 0.000 0.440 276 R N 1.654 122.125 120.500 -0.049 0.000 2.103 276 R HA -0.130 4.214 4.340 0.006 0.000 0.242 276 R C 2.299 178.599 176.300 0.000 0.000 1.142 276 R CA 1.891 57.980 56.100 -0.017 0.000 0.960 276 R CB -0.823 29.471 30.300 -0.010 0.000 0.858 276 R HN 0.340 nan 8.270 nan 0.000 0.439 277 Q N -0.463 119.348 119.800 0.018 0.000 2.083 277 Q HA -0.003 4.341 4.340 0.006 0.000 0.198 277 Q C 1.989 178.003 176.000 0.022 0.000 0.969 277 Q CA 1.812 57.637 55.803 0.037 0.000 0.838 277 Q CB -0.240 28.555 28.738 0.095 0.000 0.900 277 Q HN 0.227 nan 8.270 nan 0.000 0.436 278 V N 0.576 120.500 119.914 0.018 0.000 2.287 278 V HA -0.297 3.827 4.120 0.006 0.000 0.248 278 V C 2.248 178.331 176.094 -0.018 0.000 1.053 278 V CA 1.984 64.280 62.300 -0.006 0.000 1.027 278 V CB -0.571 31.240 31.823 -0.021 0.000 0.646 278 V HN 0.397 nan 8.190 nan 0.000 0.447 279 I N 0.185 120.745 120.570 -0.017 0.000 2.127 279 I HA -0.283 3.891 4.170 0.006 0.000 0.241 279 I C 2.693 178.802 176.117 -0.015 0.000 1.075 279 I CA 1.630 62.919 61.300 -0.017 0.000 1.334 279 I CB -0.662 37.329 38.000 -0.014 0.000 1.040 279 I HN 0.305 nan 8.210 nan 0.000 0.405 280 A N 0.262 123.077 122.820 -0.009 0.000 1.892 280 A HA -0.255 4.068 4.320 0.006 0.000 0.218 280 A C 2.389 179.963 177.584 -0.017 0.000 1.188 280 A CA 2.741 54.772 52.037 -0.010 0.000 0.631 280 A CB -1.240 17.757 19.000 -0.005 0.000 0.822 280 A HN 0.414 nan 8.150 nan 0.000 0.447 281 T N 0.287 114.829 114.554 -0.020 0.000 2.708 281 T HA -0.085 4.268 4.350 0.006 0.000 0.266 281 T C 1.853 176.533 174.700 -0.033 0.000 1.037 281 T CA 1.427 63.509 62.100 -0.030 0.000 1.146 281 T CB -0.387 68.460 68.868 -0.036 0.000 0.865 281 T HN 0.349 nan 8.240 nan 0.000 0.435 282 L N 0.410 121.614 121.223 -0.032 0.000 2.012 282 L HA -0.089 4.255 4.340 0.006 0.000 0.210 282 L C 2.547 179.402 176.870 -0.025 0.000 1.073 282 L CA 1.288 56.107 54.840 -0.034 0.000 0.748 282 L CB -0.583 41.454 42.059 -0.037 0.000 0.891 282 L HN 0.275 nan 8.230 nan 0.000 0.431 283 L N -0.504 120.707 121.223 -0.021 0.000 2.012 283 L HA -0.249 4.095 4.340 0.006 0.000 0.210 283 L C 2.922 179.783 176.870 -0.014 0.000 1.073 283 L CA 1.757 56.588 54.840 -0.016 0.000 0.748 283 L CB -0.765 41.286 42.059 -0.013 0.000 0.891 283 L HN 0.434 nan 8.230 nan 0.000 0.431 284 S N -0.367 115.323 115.700 -0.017 0.000 2.382 284 S HA -0.188 4.285 4.470 0.006 0.000 0.228 284 S C 2.151 176.742 174.600 -0.015 0.000 1.027 284 S CA 0.728 58.918 58.200 -0.016 0.000 0.991 284 S CB -0.276 62.912 63.200 -0.020 0.000 0.823 284 S HN 0.266 nan 8.310 nan 0.000 0.469 285 R N 0.730 121.220 120.500 -0.017 0.000 2.148 285 R HA 0.168 4.511 4.340 0.006 0.000 0.227 285 R C 2.097 178.396 176.300 -0.002 0.000 1.103 285 R CA 0.740 56.834 56.100 -0.011 0.000 0.983 285 R CB -1.988 28.303 30.300 -0.014 0.000 0.874 285 R HN 0.557 nan 8.270 nan 0.000 0.451 286 C N -0.704 118.593 119.300 -0.004 0.000 2.697 286 C HA 0.329 4.792 4.460 0.006 0.000 0.267 286 C C 1.356 176.346 174.990 -0.001 0.000 1.278 286 C CA 0.269 59.287 59.018 0.000 0.000 1.708 286 C CB -0.758 26.978 27.740 -0.006 0.000 1.860 286 C HN 0.705 nan 8.230 nan 0.000 0.589 287 G N 1.213 110.011 108.800 -0.004 0.000 2.136 287 G HA2 -0.245 3.719 3.960 0.006 0.000 0.242 287 G HA3 -0.245 3.719 3.960 0.006 0.000 0.242 287 G C -0.143 174.754 174.900 -0.005 0.000 0.989 287 G CA -0.093 45.005 45.100 -0.004 0.000 0.682 287 G HN 0.557 nan 8.290 nan 0.000 0.522 288 I N 1.594 122.160 120.570 -0.006 0.000 2.336 288 I HA 0.338 4.512 4.170 0.006 0.000 0.292 288 I C -1.984 174.129 176.117 -0.007 0.000 0.991 288 I CA -2.554 58.742 61.300 -0.006 0.000 1.227 288 I CB 1.682 39.678 38.000 -0.007 0.000 1.366 288 I HN -0.172 nan 8.210 nan 0.000 0.466 289 P HA -0.013 nan 4.420 nan 0.000 0.263 289 P C -0.850 176.447 177.300 -0.004 0.000 1.195 289 P CA 0.054 63.150 63.100 -0.005 0.000 0.762 289 P CB 0.423 32.121 31.700 -0.004 0.000 0.799 290 D N 1.938 122.335 120.400 -0.005 0.000 2.177 290 D HA 0.048 4.692 4.640 0.006 0.000 0.247 290 D C 1.117 177.417 176.300 -0.001 0.000 1.063 290 D CA -0.222 53.776 54.000 -0.003 0.000 0.867 290 D CB 1.378 42.175 40.800 -0.005 0.000 1.168 290 D HN 0.264 nan 8.370 nan 0.000 0.445 291 S N 2.561 118.262 115.700 0.002 0.000 2.419 291 S HA -0.063 4.411 4.470 0.006 0.000 0.235 291 S C 1.707 176.309 174.600 0.004 0.000 1.019 291 S CA 1.142 59.344 58.200 0.004 0.000 0.982 291 S CB -0.440 62.765 63.200 0.008 0.000 0.789 291 S HN 0.948 nan 8.310 nan 0.000 0.490 292 G N -0.016 108.786 108.800 0.004 0.000 2.168 292 G HA2 -0.241 3.722 3.960 0.006 0.000 0.263 292 G HA3 -0.241 3.722 3.960 0.006 0.000 0.263 292 G C 0.050 174.956 174.900 0.010 0.000 0.977 292 G CA 0.184 45.287 45.100 0.005 0.000 0.659 292 G HN 0.803 nan 8.290 nan 0.000 0.533 293 V N 1.438 121.360 119.914 0.013 0.000 2.406 293 V HA 0.617 4.741 4.120 0.006 0.000 0.272 293 V C 1.441 177.550 176.094 0.025 0.000 1.043 293 V CA -0.042 62.269 62.300 0.017 0.000 0.915 293 V CB 1.090 32.923 31.823 0.018 0.000 0.988 293 V HN 0.685 nan 8.190 nan 0.000 0.466 294 G N 3.991 112.809 108.800 0.030 0.000 2.554 294 G HA2 0.296 4.260 3.960 0.006 0.000 0.238 294 G HA3 0.296 4.260 3.960 0.006 0.000 0.238 294 G C -0.358 174.573 174.900 0.051 0.000 1.259 294 G CA -0.463 44.666 45.100 0.048 0.000 0.843 294 G HN 0.648 nan 8.290 nan 0.000 0.582 295 L N 1.075 122.345 121.223 0.078 0.000 2.513 295 L HA 0.276 4.620 4.340 0.006 0.000 0.272 295 L C 0.709 177.622 176.870 0.072 0.000 1.187 295 L CA 0.440 55.333 54.840 0.088 0.000 0.895 295 L CB 0.469 42.591 42.059 0.105 0.000 1.147 295 L HN 0.364 nan 8.230 nan 0.000 0.483 296 T N 5.854 120.417 114.554 0.015 0.000 2.733 296 T HA 0.333 4.687 4.350 0.006 0.000 0.294 296 T C -0.227 174.396 174.700 -0.127 0.000 0.956 296 T CA -0.360 61.665 62.100 -0.126 0.000 0.987 296 T CB 0.465 69.221 68.868 -0.186 0.000 0.920 296 T HN 0.601 nan 8.240 nan 0.000 0.470 297 Q N 2.311 122.032 119.800 -0.131 0.000 2.235 297 Q HA 0.419 4.763 4.340 0.006 0.000 0.250 297 Q C -0.985 174.896 176.000 -0.199 0.000 0.909 297 Q CA -0.412 55.391 55.803 -0.001 0.000 0.910 297 Q CB 1.365 30.222 28.738 0.199 0.000 1.223 297 Q HN 0.575 nan 8.270 nan 0.000 0.432 298 F N 1.370 121.397 119.950 0.128 0.000 2.332 298 F HA 0.272 4.802 4.527 0.005 0.000 0.368 298 F C -0.237 175.747 175.800 0.306 0.000 1.110 298 F CA -0.861 57.238 58.000 0.167 0.000 1.087 298 F CB 1.132 40.124 39.000 -0.013 0.000 1.235 298 F HN 0.163 nan 8.300 nan 0.000 0.470 299 V N 3.916 124.058 119.914 0.380 0.000 2.364 299 V HA 0.497 4.621 4.120 0.006 0.000 0.272 299 V C 0.525 176.730 176.094 0.185 0.000 1.036 299 V CA -1.123 61.340 62.300 0.273 0.000 0.880 299 V CB 0.815 32.726 31.823 0.146 0.000 0.991 299 V HN 0.843 nan 8.190 nan 0.000 0.460 300 A N 3.504 126.346 122.820 0.036 0.000 2.567 300 A HA 0.083 4.407 4.320 0.006 0.000 0.240 300 A C 1.022 178.479 177.584 -0.212 0.000 1.053 300 A CA -0.000 51.783 52.037 -0.423 0.000 0.755 300 A CB -0.076 18.729 19.000 -0.326 0.000 0.978 300 A HN 0.863 nan 8.150 nan 0.000 0.507 301 D N 1.405 121.656 120.400 -0.248 0.000 2.289 301 D HA 0.200 4.844 4.640 0.006 0.000 0.207 301 D C 0.985 177.225 176.300 -0.101 0.000 0.966 301 D CA 1.692 55.620 54.000 -0.121 0.000 0.868 301 D CB 0.372 41.117 40.800 -0.093 0.000 0.943 301 D HN 0.734 nan 8.370 nan 0.000 0.514 302 G N -0.281 108.439 108.800 -0.132 0.000 2.687 302 G HA2 0.386 4.350 3.960 0.006 0.000 0.291 302 G HA3 0.386 4.350 3.960 0.006 0.000 0.291 302 G C -2.166 172.681 174.900 -0.088 0.000 1.420 302 G CA -0.800 44.247 45.100 -0.088 0.000 0.796 302 G HN -0.259 nan 8.290 nan 0.000 0.485 303 P HA 0.013 nan 4.420 nan 0.000 0.217 303 P C 1.415 178.694 177.300 -0.035 0.000 1.151 303 P CA 1.248 64.327 63.100 -0.036 0.000 0.828 303 P CB 0.178 31.866 31.700 -0.021 0.000 0.788 304 E N -0.634 119.543 120.200 -0.039 0.000 2.338 304 E HA 0.028 4.382 4.350 0.006 0.000 0.197 304 E C 1.174 177.754 176.600 -0.032 0.000 1.007 304 E CA 0.645 57.029 56.400 -0.027 0.000 0.849 304 E CB -0.993 28.695 29.700 -0.021 0.000 0.774 304 E HN 0.152 nan 8.360 nan 0.000 0.506 305 G N 0.636 109.379 108.800 -0.094 0.000 2.273 305 G HA2 -0.401 3.563 3.960 0.006 0.000 0.280 305 G HA3 -0.401 3.563 3.960 0.006 0.000 0.280 305 G C 0.802 175.646 174.900 -0.093 0.000 1.047 305 G CA 0.731 45.732 45.100 -0.164 0.000 0.869 305 G HN 0.566 nan 8.290 nan 0.000 0.502 306 Q N -1.453 118.289 119.800 -0.098 0.000 2.398 306 Q HA 0.608 4.952 4.340 0.006 0.000 0.204 306 Q C 1.489 177.488 176.000 -0.002 0.000 0.932 306 Q CA 2.165 57.956 55.803 -0.020 0.000 0.916 306 Q CB 0.173 28.900 28.738 -0.018 0.000 1.024 306 Q HN 2.338 nan 8.270 nan 0.000 0.504 307 S N -2.235 113.410 115.700 -0.092 0.000 2.547 307 S HA 0.717 5.191 4.470 0.006 0.000 0.270 307 S C -1.385 173.126 174.600 -0.149 0.000 1.150 307 S CA -0.752 57.449 58.200 0.000 0.000 0.850 307 S CB 0.819 64.029 63.200 0.017 0.000 1.118 307 S HN 0.364 nan 8.310 nan 0.000 0.461 308 Y N 0.381 120.735 120.300 0.091 0.000 2.462 308 Y HA 0.556 5.110 4.550 0.006 0.000 0.346 308 Y C 0.510 176.476 175.900 0.110 0.000 0.976 308 Y CA -0.711 57.469 58.100 0.133 0.000 1.044 308 Y CB 2.567 41.175 38.460 0.246 0.000 1.230 308 Y HN 0.718 nan 8.280 nan 0.000 0.455 309 T N 3.874 118.545 114.554 0.195 0.000 2.780 309 T HA 0.201 4.555 4.350 0.006 0.000 0.294 309 T C -0.488 174.246 174.700 0.055 0.000 0.949 309 T CA -0.662 61.492 62.100 0.089 0.000 1.074 309 T CB 0.199 69.075 68.868 0.013 0.000 0.910 309 T HN 0.462 nan 8.240 nan 0.000 0.501 310 Q N 2.930 122.710 119.800 -0.034 0.000 2.322 310 Q HA 0.257 4.601 4.340 0.006 0.000 0.256 310 Q C -0.368 175.541 176.000 -0.153 0.000 0.960 310 Q CA -0.322 55.334 55.803 -0.244 0.000 0.934 310 Q CB 1.187 29.772 28.738 -0.254 0.000 1.200 310 Q HN 0.684 nan 8.270 nan 0.000 0.435 311 H N 2.005 120.873 119.070 -0.337 0.000 2.800 311 H HA 0.317 4.876 4.556 0.006 0.000 0.322 311 H C -1.191 173.908 175.328 -0.381 0.000 0.979 311 H CA -0.612 55.221 56.048 -0.358 0.000 1.277 311 H CB 1.197 30.734 29.762 -0.375 0.000 1.484 311 H HN 0.479 nan 8.280 nan 0.000 0.512 312 T N 5.612 119.926 114.554 -0.401 0.000 2.770 312 T HA 0.107 4.460 4.350 0.006 0.000 0.297 312 T C -0.466 174.024 174.700 -0.350 0.000 0.997 312 T CA -0.486 61.425 62.100 -0.315 0.000 0.949 312 T CB 0.119 68.902 68.868 -0.140 0.000 0.941 312 T HN 0.394 nan 8.240 nan 0.000 0.457 313 W N 4.120 125.249 121.300 -0.286 0.000 2.251 313 W HA 0.424 5.087 4.660 0.005 0.000 0.329 313 W C -2.088 174.382 176.519 -0.082 0.000 1.234 313 W CA -2.156 55.076 57.345 -0.188 0.000 1.228 313 W CB -0.060 29.297 29.460 -0.172 0.000 1.135 313 W HN 0.395 nan 8.180 nan 0.000 0.576 314 P HA 0.194 nan 4.420 nan 0.000 0.275 314 P C -1.012 176.348 177.300 0.100 0.000 1.228 314 P CA -0.287 62.879 63.100 0.111 0.000 0.786 314 P CB 1.249 33.001 31.700 0.088 0.000 0.927 315 V N 1.718 121.667 119.914 0.058 0.000 2.680 315 V HA 0.598 4.722 4.120 0.006 0.000 0.309 315 V C -0.686 175.416 176.094 0.013 0.000 1.052 315 V CA -0.506 61.815 62.300 0.036 0.000 0.908 315 V CB 2.105 33.947 31.823 0.033 0.000 1.001 315 V HN 0.602 nan 8.190 nan 0.000 0.431 316 S N 5.141 120.839 115.700 -0.003 0.000 2.473 316 S HA 0.571 5.045 4.470 0.006 0.000 0.307 316 S C 0.189 174.777 174.600 -0.021 0.000 1.094 316 S CA -0.705 57.485 58.200 -0.016 0.000 1.070 316 S CB 1.350 64.531 63.200 -0.031 0.000 1.019 316 S HN 0.705 nan 8.310 nan 0.000 0.480 317 L N 3.232 124.442 121.223 -0.022 0.000 2.667 317 L HA 0.405 4.749 4.340 0.006 0.000 0.232 317 L C 0.868 177.716 176.870 -0.037 0.000 1.138 317 L CA -0.209 54.616 54.840 -0.025 0.000 0.921 317 L CB -0.060 41.988 42.059 -0.018 0.000 1.180 317 L HN 0.680 nan 8.230 nan 0.000 0.487 318 A N 0.362 123.154 122.820 -0.047 0.000 2.294 318 A HA 0.349 4.673 4.320 0.006 0.000 0.316 318 A C -0.358 177.172 177.584 -0.091 0.000 1.359 318 A CA -0.574 51.425 52.037 -0.064 0.000 0.956 318 A CB 0.114 19.075 19.000 -0.065 0.000 1.155 318 A HN 0.037 nan 8.150 nan 0.000 0.544 319 D N 1.526 121.869 120.400 -0.095 0.000 2.360 319 D HA 0.201 4.844 4.640 0.006 0.000 0.242 319 D C 0.370 176.530 176.300 -0.233 0.000 1.184 319 D CA 0.201 54.124 54.000 -0.129 0.000 0.930 319 D CB 0.611 41.357 40.800 -0.089 0.000 1.161 319 D HN 0.351 nan 8.370 nan 0.000 0.447 320 R N 1.196 121.461 120.500 -0.392 0.000 2.457 320 R HA 0.379 4.723 4.340 0.006 0.000 0.284 320 R C -2.088 173.954 176.300 -0.430 0.000 1.024 320 R CA -1.631 54.026 56.100 -0.738 0.000 1.025 320 R CB 0.457 29.649 30.300 -1.846 0.000 1.063 320 R HN 0.318 nan 8.270 nan 0.000 0.493 321 P HA 0.238 nan 4.420 nan 0.000 0.274 321 P C -2.556 174.873 177.300 0.216 0.000 1.256 321 P CA -1.755 61.354 63.100 0.015 0.000 0.795 321 P CB -0.419 31.317 31.700 0.059 0.000 1.038 322 P HA -0.013 nan 4.420 nan 0.000 0.263 322 P C 1.107 178.594 177.300 0.311 0.000 1.175 322 P CA 0.290 63.553 63.100 0.271 0.000 0.761 322 P CB 0.036 31.834 31.700 0.163 0.000 0.794 323 M N 3.279 123.047 119.600 0.279 0.000 2.267 323 M HA -0.208 4.276 4.480 0.006 0.000 0.263 323 M C 1.557 177.873 176.300 0.027 0.000 1.063 323 M CA 1.817 57.144 55.300 0.046 0.000 1.090 323 M CB -0.978 31.475 32.600 -0.246 0.000 1.392 323 M HN 0.277 nan 8.290 nan 0.000 0.422 324 Q N -0.450 119.385 119.800 0.057 0.000 2.234 324 Q HA -0.034 4.310 4.340 0.006 0.000 0.206 324 Q C 1.888 177.916 176.000 0.047 0.000 0.980 324 Q CA 1.669 57.496 55.803 0.039 0.000 0.869 324 Q CB -0.685 28.080 28.738 0.046 0.000 0.912 324 Q HN 0.679 nan 8.270 nan 0.000 0.436 325 A N -0.646 122.223 122.820 0.081 0.000 2.238 325 A HA 0.029 4.353 4.320 0.006 0.000 0.208 325 A C 1.600 179.232 177.584 0.080 0.000 1.177 325 A CA 0.444 52.529 52.037 0.079 0.000 0.804 325 A CB 0.167 19.223 19.000 0.093 0.000 0.823 325 A HN 0.199 nan 8.150 nan 0.000 0.482 326 I N -2.377 118.238 120.570 0.075 0.000 3.746 326 I HA 0.221 4.395 4.170 0.006 0.000 0.262 326 I C 0.345 176.459 176.117 -0.006 0.000 1.153 326 I CA 0.567 61.904 61.300 0.061 0.000 1.395 326 I CB -0.173 37.904 38.000 0.129 0.000 1.589 326 I HN 0.028 nan 8.210 nan 0.000 0.441 327 R N 2.642 123.111 120.500 -0.053 0.000 2.651 327 R HA 0.345 4.689 4.340 0.006 0.000 0.282 327 R C -2.483 173.783 176.300 -0.057 0.000 1.565 327 R CA -1.532 54.523 56.100 -0.075 0.000 1.661 327 R CB 0.802 31.018 30.300 -0.140 0.000 1.189 327 R HN 0.138 nan 8.270 nan 0.000 0.621 328 P HA 0.137 nan 4.420 nan 0.000 0.272 328 P C 0.269 177.555 177.300 -0.023 0.000 1.223 328 P CA 0.014 63.103 63.100 -0.017 0.000 0.784 328 P CB 0.714 32.412 31.700 -0.003 0.000 0.923 329 R N 0.000 120.489 120.500 -0.019 0.000 2.786 329 R HA 0.000 4.344 4.340 0.006 0.000 0.208 329 R CA 0.000 56.089 56.100 -0.018 0.000 0.921 329 R CB 0.000 30.290 30.300 -0.016 0.000 0.687 329 R HN 0.000 nan 8.270 nan 0.000 0.535