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 2faf_1_B DATA FIRST_RESID 34 DATA SEQUENCE LSTSLSALPA AARDFVEEAV RLCRPREVLL CDGSEEEGKE LLRGLQDDGV DATA SEQUENCE LHPLPKYDNC WLARTDPRDV ARVESKTVLV TPEQSDAVPP PPPSGGPPQL DATA SEQUENCE GNWMSPNAFQ AAVQERFPGC MAGRPLYVIP FSMGPPTSPL AKLGVQVTDS DATA SEQUENCE PYVVLSMRIM TRVGPAVLQR LDDDFVRCLH SVGRPLPLTE PLVSSWPCDP DATA SEQUENCE SRVLVAHIPS ERRIVSFGSG YGGNSLLGKK CFALRIASRM AQQQGWLAEH DATA SEQUENCE MLILGVTSPS GEKRYMAAAF PSACGKTNLA MMTPSLPGWR IHCVGDDIAW DATA SEQUENCE MKFDDEGRLR AINPERGFFG VAPGTSSRTN PNAMATIARN TIFTNVGLRS DATA SEQUENCE DGGVYWDGLD EPTEPGVTYT SWLGKPWKHG DPEPCAHPNS RFCAPADQCP DATA SEQUENCE IMDPRWDDPE GVPIDAIIFG GRRPRGVPLV VEAFGWRHGV FMGSAMRSXX DATA SEQUENCE XXXXXXXXXX LMHDPFAMRP FFGYNAGRYL EHWLSTGLRS NARLPRLFHV DATA SEQUENCE NWFLRDNEGR FVWPGFGHNA RVLAWIFGRI QGRDTARPTP IGWVPKEGDL DATA SEQUENCE DLGGLPGVDY SQLFPMEKGF WEEECRQLRE YYGENFGADL PRDVMAELEG DATA SEQUENCE LEERVRKM 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 34 L HA 0.000 nan 4.340 nan 0.000 0.249 34 L C 0.000 176.886 176.870 0.027 0.000 1.165 34 L CA 0.000 54.875 54.840 0.058 0.000 0.813 34 L CB 0.000 42.111 42.059 0.086 0.000 0.961 35 S N -0.698 115.010 115.700 0.014 0.000 2.537 35 S HA 0.501 4.972 4.470 0.002 0.000 0.270 35 S C 0.538 175.127 174.600 -0.017 0.000 1.142 35 S CA 0.226 58.425 58.200 -0.001 0.000 0.870 35 S CB 1.869 65.070 63.200 0.002 0.000 1.112 35 S HN 0.782 nan 8.310 nan 0.000 0.466 36 T N 0.014 114.554 114.554 -0.023 0.000 3.085 36 T HA 0.140 4.491 4.350 0.002 0.000 0.263 36 T C 0.901 175.587 174.700 -0.024 0.000 1.127 36 T CA 0.530 62.611 62.100 -0.032 0.000 1.103 36 T CB -0.090 68.758 68.868 -0.033 0.000 0.921 36 T HN 0.413 nan 8.240 nan 0.000 0.510 37 S N 0.875 116.566 115.700 -0.015 0.000 2.448 37 S HA 0.405 4.876 4.470 0.002 0.000 0.279 37 S C 0.617 175.211 174.600 -0.010 0.000 1.195 37 S CA -0.789 57.404 58.200 -0.011 0.000 1.051 37 S CB -0.090 63.105 63.200 -0.007 0.000 0.948 37 S HN 0.477 nan 8.310 nan 0.000 0.493 38 L N 4.545 125.761 121.223 -0.011 0.000 2.667 38 L HA 0.168 4.509 4.340 0.002 0.000 0.232 38 L C 2.041 178.907 176.870 -0.007 0.000 1.138 38 L CA -0.124 54.710 54.840 -0.010 0.000 0.921 38 L CB -0.102 41.949 42.059 -0.013 0.000 1.180 38 L HN 0.555 nan 8.230 nan 0.000 0.487 39 S N 1.129 116.826 115.700 -0.006 0.000 2.402 39 S HA -0.233 4.238 4.470 0.002 0.000 0.233 39 S C 2.267 176.865 174.600 -0.005 0.000 1.030 39 S CA 1.480 59.678 58.200 -0.004 0.000 1.003 39 S CB -0.122 63.076 63.200 -0.003 0.000 0.813 39 S HN 0.569 nan 8.310 nan 0.000 0.477 40 A N 0.886 123.702 122.820 -0.006 0.000 2.015 40 A HA 0.154 4.475 4.320 0.002 0.000 0.219 40 A C 0.902 178.477 177.584 -0.015 0.000 1.163 40 A CA 0.582 52.614 52.037 -0.009 0.000 0.646 40 A CB -0.452 18.543 19.000 -0.007 0.000 0.806 40 A HN 0.434 nan 8.150 nan 0.000 0.448 41 L N 1.797 123.009 121.223 -0.017 0.000 2.416 41 L HA 0.205 4.546 4.340 0.002 0.000 0.272 41 L C -1.774 175.083 176.870 -0.020 0.000 1.161 41 L CA -1.792 53.029 54.840 -0.030 0.000 0.845 41 L CB 0.409 42.451 42.059 -0.028 0.000 1.119 41 L HN 0.198 nan 8.230 nan 0.000 0.464 42 P HA 0.052 nan 4.420 nan 0.000 0.272 42 P C 0.227 177.541 177.300 0.024 0.000 1.240 42 P CA -0.355 62.744 63.100 -0.002 0.000 0.791 42 P CB 0.877 32.575 31.700 -0.004 0.000 0.978 43 A N 1.906 124.751 122.820 0.042 0.000 1.903 43 A HA -0.236 4.085 4.320 0.002 0.000 0.219 43 A C 2.300 179.944 177.584 0.100 0.000 1.191 43 A CA 2.841 54.913 52.037 0.058 0.000 0.638 43 A CB -1.742 17.288 19.000 0.051 0.000 0.823 43 A HN 0.624 nan 8.150 nan 0.000 0.451 44 A N -0.492 122.414 122.820 0.144 0.000 1.877 44 A HA 0.167 4.488 4.320 0.002 0.000 0.216 44 A C 2.547 180.351 177.584 0.366 0.000 1.186 44 A CA 2.278 54.469 52.037 0.256 0.000 0.620 44 A CB -1.103 18.105 19.000 0.345 0.000 0.822 44 A HN 1.176 nan 8.150 nan 0.000 0.443 45 A N -0.370 122.566 122.820 0.195 0.000 1.902 45 A HA -0.153 4.168 4.320 0.002 0.000 0.217 45 A C 2.181 179.850 177.584 0.141 0.000 1.181 45 A CA 2.117 54.173 52.037 0.033 0.000 0.623 45 A CB -0.446 18.366 19.000 -0.313 0.000 0.818 45 A HN 0.455 nan 8.150 nan 0.000 0.443 46 R N 0.398 120.948 120.500 0.084 0.000 2.096 46 R HA -0.132 4.209 4.340 0.002 0.000 0.235 46 R C 1.379 177.731 176.300 0.087 0.000 1.127 46 R CA 2.016 58.153 56.100 0.062 0.000 0.968 46 R CB -0.572 29.751 30.300 0.038 0.000 0.861 46 R HN 0.508 nan 8.270 nan 0.000 0.440 47 D N -0.577 119.903 120.400 0.133 0.000 2.117 47 D HA -0.167 4.474 4.640 0.002 0.000 0.197 47 D C 1.583 177.993 176.300 0.184 0.000 0.987 47 D CA 1.128 55.208 54.000 0.134 0.000 0.829 47 D CB -0.396 40.486 40.800 0.136 0.000 0.961 47 D HN 0.206 nan 8.370 nan 0.000 0.460 48 F N 1.797 121.820 119.950 0.121 0.000 2.102 48 F HA -0.208 4.320 4.527 0.002 0.000 0.298 48 F C 2.143 177.995 175.800 0.088 0.000 1.105 48 F CA 0.940 59.016 58.000 0.128 0.000 1.239 48 F CB -0.604 38.546 39.000 0.250 0.000 0.991 48 F HN -0.213 nan 8.300 nan 0.000 0.474 49 V N 0.795 120.610 119.914 -0.164 0.000 2.255 49 V HA -0.288 3.833 4.120 0.002 0.000 0.247 49 V C 2.542 178.530 176.094 -0.176 0.000 1.051 49 V CA 2.275 64.420 62.300 -0.259 0.000 1.018 49 V CB -0.724 31.041 31.823 -0.096 0.000 0.641 49 V HN 0.286 nan 8.190 nan 0.000 0.445 50 E N -0.204 119.952 120.200 -0.074 0.000 2.110 50 E HA -0.247 4.104 4.350 0.002 0.000 0.193 50 E C 2.202 178.770 176.600 -0.053 0.000 0.988 50 E CA 1.351 57.722 56.400 -0.048 0.000 0.804 50 E CB -0.285 29.408 29.700 -0.011 0.000 0.745 50 E HN 0.752 nan 8.360 nan 0.000 0.458 51 E N 0.594 120.767 120.200 -0.045 0.000 2.058 51 E HA -0.192 4.159 4.350 0.002 0.000 0.194 51 E C 1.970 178.519 176.600 -0.085 0.000 0.997 51 E CA 1.187 57.567 56.400 -0.033 0.000 0.801 51 E CB -0.014 29.707 29.700 0.036 0.000 0.746 51 E HN 0.163 nan 8.360 nan 0.000 0.450 52 A N 0.563 123.267 122.820 -0.195 0.000 1.933 52 A HA -0.120 4.201 4.320 0.002 0.000 0.218 52 A C 2.414 179.938 177.584 -0.100 0.000 1.175 52 A CA 1.397 53.316 52.037 -0.197 0.000 0.628 52 A CB -0.609 18.166 19.000 -0.375 0.000 0.814 52 A HN 0.228 nan 8.150 nan 0.000 0.444 53 V N 0.087 119.942 119.914 -0.099 0.000 2.295 53 V HA -0.280 3.841 4.120 0.002 0.000 0.246 53 V C 2.624 178.698 176.094 -0.033 0.000 1.049 53 V CA 2.257 64.523 62.300 -0.058 0.000 1.024 53 V CB -0.824 30.964 31.823 -0.058 0.000 0.648 53 V HN 0.523 nan 8.190 nan 0.000 0.447 54 R N -0.717 119.764 120.500 -0.032 0.000 2.105 54 R HA -0.169 4.172 4.340 0.002 0.000 0.239 54 R C 2.193 178.488 176.300 -0.008 0.000 1.135 54 R CA 1.611 57.700 56.100 -0.018 0.000 0.967 54 R CB -0.450 29.841 30.300 -0.016 0.000 0.861 54 R HN 0.406 nan 8.270 nan 0.000 0.442 55 L N -0.129 121.089 121.223 -0.008 0.000 2.034 55 L HA -0.080 4.261 4.340 0.002 0.000 0.203 55 L C 1.970 178.871 176.870 0.051 0.000 1.074 55 L CA 1.722 56.571 54.840 0.014 0.000 0.748 55 L CB -0.397 41.661 42.059 -0.002 0.000 0.905 55 L HN 0.103 nan 8.230 nan 0.000 0.439 56 C N -0.156 119.181 119.300 0.061 0.000 2.495 56 C HA 0.196 4.657 4.460 0.002 0.000 0.275 56 C C 1.038 176.055 174.990 0.046 0.000 1.392 56 C CA -0.169 58.906 59.018 0.096 0.000 1.766 56 C CB -1.043 26.770 27.740 0.123 0.000 1.933 56 C HN 0.594 nan 8.230 nan 0.000 0.519 57 R N -0.721 119.789 120.500 0.017 0.000 3.267 57 R HA -0.132 4.209 4.340 0.002 0.000 0.254 57 R C -2.637 173.659 176.300 -0.007 0.000 0.993 57 R CA 0.228 56.329 56.100 0.002 0.000 0.670 57 R CB -2.119 28.184 30.300 0.005 0.000 1.125 57 R HN 0.452 nan 8.270 nan 0.000 0.434 58 P HA -0.010 nan 4.420 nan 0.000 0.274 58 P C 0.178 177.454 177.300 -0.039 0.000 1.246 58 P CA -0.250 62.832 63.100 -0.031 0.000 0.795 58 P CB 0.676 32.347 31.700 -0.047 0.000 1.006 59 R N 0.527 121.000 120.500 -0.046 0.000 2.090 59 R HA -0.061 4.280 4.340 0.002 0.000 0.228 59 R C 0.879 177.145 176.300 -0.057 0.000 1.110 59 R CA 1.304 57.377 56.100 -0.045 0.000 0.973 59 R CB 0.288 30.563 30.300 -0.043 0.000 0.869 59 R HN 0.707 nan 8.270 nan 0.000 0.440 60 E N -1.443 118.707 120.200 -0.083 0.000 2.430 60 E HA 0.339 4.690 4.350 0.002 0.000 0.279 60 E C -1.574 174.947 176.600 -0.132 0.000 1.003 60 E CA -1.033 55.309 56.400 -0.097 0.000 0.801 60 E CB 2.042 31.682 29.700 -0.101 0.000 1.313 60 E HN -0.133 nan 8.360 nan 0.000 0.459 61 V N 1.774 121.616 119.914 -0.121 0.000 2.487 61 V HA 0.433 4.554 4.120 0.002 0.000 0.298 61 V C -0.613 175.400 176.094 -0.135 0.000 1.028 61 V CA -0.660 61.562 62.300 -0.130 0.000 0.860 61 V CB 1.192 32.964 31.823 -0.085 0.000 0.991 61 V HN 0.549 nan 8.190 nan 0.000 0.427 62 L N 5.323 126.438 121.223 -0.180 0.000 2.356 62 L HA 0.566 4.907 4.340 0.002 0.000 0.277 62 L C -0.745 176.106 176.870 -0.032 0.000 0.996 62 L CA -0.711 54.051 54.840 -0.130 0.000 0.822 62 L CB 1.946 43.868 42.059 -0.228 0.000 1.256 62 L HN 0.476 nan 8.230 nan 0.000 0.413 63 L N 3.426 124.649 121.223 0.001 0.000 2.290 63 L HA 0.418 4.759 4.340 0.002 0.000 0.284 63 L C -0.352 176.554 176.870 0.061 0.000 1.078 63 L CA 0.198 55.058 54.840 0.033 0.000 0.815 63 L CB 0.914 42.982 42.059 0.014 0.000 1.162 63 L HN 0.643 nan 8.230 nan 0.000 0.435 64 C N 4.055 123.408 119.300 0.088 0.000 2.463 64 C HA 0.393 4.854 4.460 0.002 0.000 0.380 64 C C 1.085 176.107 174.990 0.053 0.000 1.264 64 C CA -0.348 58.721 59.018 0.084 0.000 2.161 64 C CB 0.539 28.337 27.740 0.095 0.000 2.515 64 C HN 0.919 nan 8.230 nan 0.000 0.565 65 D N -0.288 120.135 120.400 0.039 0.000 2.433 65 D HA 0.184 4.825 4.640 0.002 0.000 0.211 65 D C 1.390 177.703 176.300 0.021 0.000 1.114 65 D CA 0.625 54.641 54.000 0.026 0.000 0.837 65 D CB -0.204 40.608 40.800 0.020 0.000 0.984 65 D HN 0.958 nan 8.370 nan 0.000 0.505 66 G N 0.673 109.484 108.800 0.018 0.000 2.162 66 G HA2 -0.303 3.658 3.960 0.002 0.000 0.260 66 G HA3 -0.303 3.658 3.960 0.002 0.000 0.260 66 G C 0.470 175.373 174.900 0.005 0.000 0.976 66 G CA 0.649 45.755 45.100 0.009 0.000 0.655 66 G HN 0.881 nan 8.290 nan 0.000 0.533 67 S N -0.688 115.017 115.700 0.008 0.000 2.600 67 S HA 0.481 4.952 4.470 0.002 0.000 0.265 67 S C 1.194 175.797 174.600 0.006 0.000 1.325 67 S CA 0.623 58.828 58.200 0.009 0.000 1.002 67 S CB 1.894 65.101 63.200 0.011 0.000 0.921 67 S HN 0.493 nan 8.310 nan 0.000 0.554 68 E N 0.610 120.817 120.200 0.011 0.000 2.077 68 E HA -0.230 4.121 4.350 0.002 0.000 0.193 68 E C 1.912 178.520 176.600 0.013 0.000 0.989 68 E CA 1.405 57.814 56.400 0.015 0.000 0.800 68 E CB -0.255 29.459 29.700 0.023 0.000 0.746 68 E HN 0.892 nan 8.360 nan 0.000 0.452 69 E N 0.582 120.791 120.200 0.014 0.000 2.097 69 E HA -0.289 4.062 4.350 0.002 0.000 0.196 69 E C 2.014 178.618 176.600 0.007 0.000 1.000 69 E CA 1.696 58.104 56.400 0.014 0.000 0.804 69 E CB -0.073 29.636 29.700 0.015 0.000 0.740 69 E HN 0.350 nan 8.360 nan 0.000 0.454 70 E N -0.677 119.526 120.200 0.005 0.000 2.051 70 E HA -0.169 4.182 4.350 0.002 0.000 0.192 70 E C 2.070 178.656 176.600 -0.024 0.000 0.991 70 E CA 1.296 57.696 56.400 0.001 0.000 0.799 70 E CB -0.420 29.285 29.700 0.008 0.000 0.748 70 E HN 0.358 nan 8.360 nan 0.000 0.449 71 G N 1.038 109.820 108.800 -0.030 0.000 2.446 71 G HA2 -0.307 3.654 3.960 0.002 0.000 0.217 71 G HA3 -0.307 3.654 3.960 0.002 0.000 0.217 71 G C 1.536 176.391 174.900 -0.075 0.000 1.168 71 G CA 1.111 46.176 45.100 -0.058 0.000 0.771 71 G HN 0.221 nan 8.290 nan 0.000 0.551 72 K N 0.021 120.400 120.400 -0.035 0.000 2.057 72 K HA -0.074 4.247 4.320 0.002 0.000 0.207 72 K C 2.394 178.963 176.600 -0.053 0.000 1.049 72 K CA 1.313 57.583 56.287 -0.030 0.000 0.931 72 K CB -0.073 32.436 32.500 0.016 0.000 0.714 72 K HN 0.297 nan 8.250 nan 0.000 0.440 73 E N 1.408 121.588 120.200 -0.035 0.000 2.106 73 E HA -0.124 4.227 4.350 0.002 0.000 0.192 73 E C 1.754 178.318 176.600 -0.059 0.000 0.984 73 E CA 1.113 57.496 56.400 -0.028 0.000 0.806 73 E CB -0.205 29.496 29.700 0.002 0.000 0.750 73 E HN 0.198 nan 8.360 nan 0.000 0.458 74 L N -0.076 121.094 121.223 -0.088 0.000 2.017 74 L HA -0.168 4.173 4.340 0.002 0.000 0.208 74 L C 2.583 179.332 176.870 -0.203 0.000 1.073 74 L CA 1.074 55.832 54.840 -0.136 0.000 0.745 74 L CB -0.467 41.489 42.059 -0.172 0.000 0.894 74 L HN 0.204 nan 8.230 nan 0.000 0.432 75 L N -0.670 120.380 121.223 -0.287 0.000 2.012 75 L HA -0.254 4.087 4.340 0.002 0.000 0.210 75 L C 2.891 179.526 176.870 -0.392 0.000 1.073 75 L CA 1.300 55.829 54.840 -0.518 0.000 0.748 75 L CB -0.569 41.066 42.059 -0.706 0.000 0.891 75 L HN 0.276 nan 8.230 nan 0.000 0.431 76 R N 0.269 120.645 120.500 -0.207 0.000 2.083 76 R HA -0.169 4.172 4.340 0.002 0.000 0.237 76 R C 2.211 178.471 176.300 -0.066 0.000 1.137 76 R CA 1.788 57.833 56.100 -0.092 0.000 0.951 76 R CB -0.595 29.688 30.300 -0.028 0.000 0.851 76 R HN 0.420 nan 8.270 nan 0.000 0.434 77 G N 1.012 109.775 108.800 -0.062 0.000 2.418 77 G HA2 -0.220 3.741 3.960 0.002 0.000 0.217 77 G HA3 -0.220 3.741 3.960 0.002 0.000 0.217 77 G C 1.560 176.438 174.900 -0.037 0.000 1.158 77 G CA 0.547 45.630 45.100 -0.028 0.000 0.771 77 G HN 0.248 nan 8.290 nan 0.000 0.545 78 L N -0.155 121.021 121.223 -0.078 0.000 2.046 78 L HA -0.113 4.228 4.340 0.002 0.000 0.208 78 L C 2.994 179.840 176.870 -0.041 0.000 1.077 78 L CA 1.598 56.404 54.840 -0.056 0.000 0.747 78 L CB -0.379 41.630 42.059 -0.083 0.000 0.896 78 L HN 0.325 nan 8.230 nan 0.000 0.432 79 Q N 0.068 119.826 119.800 -0.070 0.000 2.084 79 Q HA -0.277 4.064 4.340 0.002 0.000 0.202 79 Q C 1.759 177.765 176.000 0.011 0.000 0.978 79 Q CA 2.149 57.953 55.803 0.003 0.000 0.844 79 Q CB 0.010 28.800 28.738 0.087 0.000 0.898 79 Q HN 0.419 nan 8.270 nan 0.000 0.426 80 D N 0.080 120.486 120.400 0.009 0.000 2.144 80 D HA -0.155 4.486 4.640 0.002 0.000 0.199 80 D C 1.071 177.383 176.300 0.019 0.000 0.984 80 D CA 1.384 55.396 54.000 0.021 0.000 0.834 80 D CB 0.024 40.835 40.800 0.019 0.000 0.955 80 D HN 0.286 nan 8.370 nan 0.000 0.465 81 D N -1.055 119.353 120.400 0.012 0.000 2.348 81 D HA 0.062 4.703 4.640 0.002 0.000 0.216 81 D C 1.628 177.945 176.300 0.029 0.000 0.970 81 D CA 1.144 55.157 54.000 0.021 0.000 0.889 81 D CB 0.189 41.000 40.800 0.018 0.000 0.912 81 D HN 0.370 nan 8.370 nan 0.000 0.524 82 G N -0.027 108.777 108.800 0.007 0.000 2.157 82 G HA2 -0.319 3.642 3.960 0.002 0.000 0.248 82 G HA3 -0.319 3.642 3.960 0.002 0.000 0.248 82 G C 1.230 176.121 174.900 -0.015 0.000 0.979 82 G CA 0.445 45.538 45.100 -0.011 0.000 0.650 82 G HN 0.314 nan 8.290 nan 0.000 0.529 83 V N 0.143 120.076 119.914 0.032 0.000 2.346 83 V HA 0.244 4.365 4.120 0.002 0.000 0.244 83 V C 1.667 177.837 176.094 0.126 0.000 1.037 83 V CA 1.710 64.099 62.300 0.148 0.000 1.029 83 V CB -0.156 31.775 31.823 0.181 0.000 0.663 83 V HN 0.391 nan 8.190 nan 0.000 0.454 84 L N -0.328 120.916 121.223 0.036 0.000 2.325 84 L HA 0.521 4.862 4.340 0.002 0.000 0.278 84 L C -0.908 175.973 176.870 0.019 0.000 1.023 84 L CA -0.552 54.385 54.840 0.161 0.000 0.811 84 L CB 1.468 43.651 42.059 0.207 0.000 1.249 84 L HN 0.306 nan 8.230 nan 0.000 0.431 85 H N 2.083 121.416 119.070 0.439 0.000 2.529 85 H HA 0.367 4.923 4.556 0.002 0.000 0.348 85 H C -2.376 173.141 175.328 0.314 0.000 1.079 85 H CA -1.689 54.564 56.048 0.341 0.000 1.198 85 H CB 1.517 31.412 29.762 0.222 0.000 1.521 85 H HN 0.331 nan 8.280 nan 0.000 0.514 86 P HA 0.079 nan 4.420 nan 0.000 0.274 86 P C -0.582 176.599 177.300 -0.198 0.000 1.237 86 P CA -0.382 62.464 63.100 -0.423 0.000 0.793 86 P CB 1.496 32.875 31.700 -0.536 0.000 0.977 87 L N 3.582 124.633 121.223 -0.285 0.000 2.435 87 L HA 0.277 4.617 4.340 0.002 0.000 0.253 87 L C -1.327 175.399 176.870 -0.239 0.000 1.087 87 L CA -1.658 53.097 54.840 -0.142 0.000 0.950 87 L CB 1.528 43.639 42.059 0.087 0.000 1.304 87 L HN 0.228 nan 8.230 nan 0.000 0.453 88 P HA -0.169 nan 4.420 nan 0.000 0.228 88 P C 1.274 178.425 177.300 -0.247 0.000 1.151 88 P CA 0.817 63.790 63.100 -0.212 0.000 0.770 88 P CB 0.402 32.010 31.700 -0.155 0.000 0.786 89 K N -0.824 119.320 120.400 -0.426 0.000 2.283 89 K HA -0.086 4.235 4.320 0.002 0.000 0.202 89 K C 0.433 176.750 176.600 -0.471 0.000 1.048 89 K CA 0.949 56.906 56.287 -0.551 0.000 0.948 89 K CB -0.316 31.669 32.500 -0.858 0.000 0.742 89 K HN 0.094 nan 8.250 nan 0.000 0.458 90 Y N -0.705 119.567 120.300 -0.047 0.000 2.654 90 Y HA 0.305 4.856 4.550 0.002 0.000 0.327 90 Y C -0.424 175.458 175.900 -0.029 0.000 1.122 90 Y CA -2.400 55.689 58.100 -0.018 0.000 1.227 90 Y CB 0.266 38.741 38.460 0.025 0.000 1.370 90 Y HN -0.163 nan 8.280 nan 0.000 0.528 91 D N 1.164 121.678 120.400 0.190 0.000 2.380 91 D HA 0.103 4.744 4.640 0.002 0.000 0.230 91 D C -0.246 176.120 176.300 0.111 0.000 1.154 91 D CA -0.003 54.061 54.000 0.106 0.000 0.859 91 D CB -0.343 40.512 40.800 0.093 0.000 1.045 91 D HN 0.597 nan 8.370 nan 0.000 0.495 92 N N 2.641 121.378 118.700 0.063 0.000 2.727 92 N HA -0.205 4.536 4.740 0.002 0.000 0.251 92 N C -1.600 173.996 175.510 0.143 0.000 1.040 92 N CA 0.471 53.594 53.050 0.122 0.000 0.712 92 N CB -1.458 37.168 38.487 0.232 0.000 0.912 92 N HN 0.319 nan 8.380 nan 0.000 0.545 93 C N 0.120 119.394 119.300 -0.044 0.000 2.529 93 C HA 0.820 5.281 4.460 0.002 0.000 0.329 93 C C -0.200 174.697 174.990 -0.154 0.000 1.194 93 C CA -0.510 58.597 59.018 0.148 0.000 1.779 93 C CB 0.605 28.587 27.740 0.402 0.000 2.322 93 C HN 0.546 nan 8.230 nan 0.000 0.500 94 W N 1.539 123.055 121.300 0.360 0.000 3.107 94 W HA 0.666 5.327 4.660 0.002 0.000 0.331 94 W C -0.972 175.800 176.519 0.422 0.000 1.204 94 W CA -0.609 56.929 57.345 0.321 0.000 1.184 94 W CB 1.143 30.735 29.460 0.219 0.000 1.421 94 W HN 0.380 nan 8.180 nan 0.000 0.544 95 L N 2.712 124.308 121.223 0.621 0.000 2.356 95 L HA 0.932 5.273 4.340 0.002 0.000 0.277 95 L C -0.704 176.499 176.870 0.555 0.000 0.996 95 L CA -0.662 54.506 54.840 0.547 0.000 0.822 95 L CB 1.239 43.541 42.059 0.406 0.000 1.256 95 L HN 0.504 nan 8.230 nan 0.000 0.413 96 A N 5.309 128.419 122.820 0.482 0.000 2.337 96 A HA 0.889 5.210 4.320 0.002 0.000 0.329 96 A C -0.593 177.153 177.584 0.271 0.000 1.146 96 A CA -0.718 51.569 52.037 0.416 0.000 0.800 96 A CB 0.934 20.199 19.000 0.442 0.000 1.220 96 A HN 0.770 nan 8.150 nan 0.000 0.472 97 R N 0.609 121.245 120.500 0.227 0.000 2.589 97 R HA 0.617 4.958 4.340 0.002 0.000 0.293 97 R C -0.088 176.143 176.300 -0.115 0.000 0.963 97 R CA -0.387 55.781 56.100 0.113 0.000 0.905 97 R CB 1.996 32.388 30.300 0.154 0.000 1.144 97 R HN 0.861 nan 8.270 nan 0.000 0.459 98 T N -2.189 112.163 114.554 -0.336 0.000 2.948 98 T HA 0.170 4.521 4.350 0.002 0.000 0.285 98 T C 0.048 174.555 174.700 -0.322 0.000 1.019 98 T CA -0.984 60.577 62.100 -0.899 0.000 1.013 98 T CB 1.422 69.404 68.868 -1.477 0.000 1.117 98 T HN 0.399 nan 8.240 nan 0.000 0.533 99 D N 1.427 121.673 120.400 -0.256 0.000 2.487 99 D HA 0.109 4.750 4.640 0.002 0.000 0.243 99 D C -1.518 174.781 176.300 -0.002 0.000 1.154 99 D CA -1.657 52.353 54.000 0.017 0.000 0.876 99 D CB 1.241 42.167 40.800 0.210 0.000 1.161 99 D HN 0.224 nan 8.370 nan 0.000 0.478 100 P HA -0.054 nan 4.420 nan 0.000 0.226 100 P C 0.823 178.171 177.300 0.081 0.000 1.146 100 P CA 0.850 64.052 63.100 0.170 0.000 0.773 100 P CB 0.197 31.962 31.700 0.108 0.000 0.772 101 R N -1.099 119.433 120.500 0.052 0.000 2.299 101 R HA 0.033 4.374 4.340 0.002 0.000 0.197 101 R C 0.290 176.601 176.300 0.019 0.000 0.971 101 R CA 0.528 56.654 56.100 0.044 0.000 1.030 101 R CB -0.160 30.177 30.300 0.062 0.000 0.932 101 R HN 0.100 nan 8.270 nan 0.000 0.477 102 D N 0.303 120.697 120.400 -0.010 0.000 2.441 102 D HA 0.071 4.712 4.640 0.002 0.000 0.287 102 D C 0.295 176.433 176.300 -0.270 0.000 1.198 102 D CA -0.327 53.672 54.000 -0.002 0.000 0.894 102 D CB 1.173 42.128 40.800 0.258 0.000 1.070 102 D HN -0.033 nan 8.370 nan 0.000 0.499 103 V N 0.154 119.755 119.914 -0.522 0.000 3.382 103 V HA 0.854 4.975 4.120 0.002 0.000 0.296 103 V C 0.370 175.664 176.094 -1.334 0.000 1.529 103 V CA 0.360 61.987 62.300 -1.122 0.000 1.048 103 V CB -0.095 31.086 31.823 -1.071 0.000 0.878 103 V HN 0.410 nan 8.190 nan 0.000 0.442 104 A N 0.040 122.429 122.820 -0.718 0.000 2.586 104 A HA 0.722 5.043 4.320 0.002 0.000 0.290 104 A C -0.489 177.101 177.584 0.010 0.000 1.086 104 A CA -1.040 50.823 52.037 -0.289 0.000 0.665 104 A CB 0.991 19.907 19.000 -0.140 0.000 1.279 104 A HN 0.244 nan 8.150 nan 0.000 0.423 105 R N -0.298 120.294 120.500 0.152 0.000 2.638 105 R HA 0.283 4.624 4.340 0.002 0.000 0.268 105 R C -0.833 175.532 176.300 0.107 0.000 1.006 105 R CA 0.314 56.517 56.100 0.172 0.000 1.088 105 R CB 0.217 30.639 30.300 0.203 0.000 0.950 105 R HN 0.384 nan 8.270 nan 0.000 0.419 106 V N 3.522 123.507 119.914 0.118 0.000 2.284 106 V HA 0.036 4.157 4.120 0.002 0.000 0.274 106 V C 1.230 177.379 176.094 0.091 0.000 1.023 106 V CA -0.234 62.120 62.300 0.090 0.000 0.808 106 V CB 0.925 32.805 31.823 0.095 0.000 1.035 106 V HN 0.876 nan 8.190 nan 0.000 0.445 107 E N 3.137 123.373 120.200 0.060 0.000 2.077 107 E HA -0.209 4.142 4.350 0.002 0.000 0.193 107 E C 2.141 178.772 176.600 0.052 0.000 0.989 107 E CA 1.788 58.212 56.400 0.040 0.000 0.800 107 E CB 0.199 29.896 29.700 -0.004 0.000 0.746 107 E HN 0.832 nan 8.360 nan 0.000 0.452 108 S N 0.102 115.833 115.700 0.051 0.000 2.442 108 S HA -0.108 4.363 4.470 0.002 0.000 0.236 108 S C 1.471 176.114 174.600 0.071 0.000 1.007 108 S CA 0.922 59.154 58.200 0.054 0.000 0.965 108 S CB -0.101 63.128 63.200 0.048 0.000 0.773 108 S HN 0.180 nan 8.310 nan 0.000 0.504 109 K N 1.046 121.500 120.400 0.090 0.000 2.440 109 K HA 0.223 4.544 4.320 0.002 0.000 0.206 109 K C -0.554 176.131 176.600 0.142 0.000 1.025 109 K CA -0.024 56.330 56.287 0.111 0.000 1.135 109 K CB 0.781 33.351 32.500 0.117 0.000 0.856 109 K HN 0.214 nan 8.250 nan 0.000 0.502 110 T N 1.784 116.423 114.554 0.142 0.000 2.771 110 T HA 0.392 4.743 4.350 0.002 0.000 0.281 110 T C -0.438 174.366 174.700 0.173 0.000 0.982 110 T CA -0.675 61.542 62.100 0.195 0.000 0.978 110 T CB 1.573 70.556 68.868 0.193 0.000 0.930 110 T HN 0.029 nan 8.240 nan 0.000 0.447 111 V N 1.594 121.641 119.914 0.222 0.000 3.078 111 V HA 0.734 4.855 4.120 0.002 0.000 0.311 111 V C -1.327 174.881 176.094 0.190 0.000 1.138 111 V CA -1.302 61.089 62.300 0.151 0.000 1.007 111 V CB 1.886 33.755 31.823 0.077 0.000 1.045 111 V HN 0.758 nan 8.190 nan 0.000 0.432 112 L N 2.794 124.083 121.223 0.111 0.000 2.305 112 L HA 0.675 5.016 4.340 0.002 0.000 0.284 112 L C -0.778 176.110 176.870 0.030 0.000 1.013 112 L CA -0.830 54.076 54.840 0.110 0.000 0.819 112 L CB 1.904 44.052 42.059 0.149 0.000 1.227 112 L HN 0.562 nan 8.230 nan 0.000 0.417 113 V N 2.260 122.134 119.914 -0.068 0.000 2.328 113 V HA 0.514 4.635 4.120 0.002 0.000 0.278 113 V C 0.186 176.271 176.094 -0.015 0.000 1.021 113 V CA -0.332 61.861 62.300 -0.178 0.000 0.838 113 V CB 1.314 32.851 31.823 -0.477 0.000 0.999 113 V HN 0.899 nan 8.190 nan 0.000 0.447 114 T N 2.469 117.131 114.554 0.180 0.000 2.916 114 T HA 0.495 4.846 4.350 0.002 0.000 0.305 114 T C -2.350 172.571 174.700 0.368 0.000 1.119 114 T CA -1.970 60.280 62.100 0.250 0.000 1.008 114 T CB 2.530 71.557 68.868 0.266 0.000 1.129 114 T HN 0.233 nan 8.240 nan 0.000 0.480 115 P HA -0.032 nan 4.420 nan 0.000 0.216 115 P C 0.154 177.595 177.300 0.234 0.000 1.150 115 P CA 1.218 64.441 63.100 0.205 0.000 0.843 115 P CB 0.180 31.942 31.700 0.103 0.000 0.787 116 E N -0.742 119.533 120.200 0.125 0.000 2.166 116 E HA 0.086 4.437 4.350 0.002 0.000 0.275 116 E C 0.646 177.044 176.600 -0.337 0.000 0.941 116 E CA -0.397 55.961 56.400 -0.070 0.000 0.784 116 E CB 1.378 31.028 29.700 -0.083 0.000 1.115 116 E HN 0.129 nan 8.360 nan 0.000 0.399 117 Q N 2.206 121.426 119.800 -0.967 0.000 2.096 117 Q HA -0.195 4.146 4.340 0.002 0.000 0.204 117 Q C 1.573 177.160 176.000 -0.688 0.000 0.982 117 Q CA 2.328 57.136 55.803 -1.658 0.000 0.850 117 Q CB 0.093 27.797 28.738 -1.722 0.000 0.901 117 Q HN 0.569 nan 8.270 nan 0.000 0.422 118 S N 0.080 115.526 115.700 -0.422 0.000 2.442 118 S HA -0.153 4.318 4.470 0.002 0.000 0.236 118 S C 1.163 175.682 174.600 -0.135 0.000 1.007 118 S CA 1.234 59.294 58.200 -0.232 0.000 0.965 118 S CB -0.163 62.935 63.200 -0.169 0.000 0.773 118 S HN 0.389 nan 8.310 nan 0.000 0.504 119 D N 1.904 122.239 120.400 -0.109 0.000 2.224 119 D HA 0.172 4.813 4.640 0.002 0.000 0.205 119 D C 2.014 178.343 176.300 0.048 0.000 0.965 119 D CA 1.218 55.214 54.000 -0.007 0.000 0.852 119 D CB -0.234 40.576 40.800 0.017 0.000 0.947 119 D HN 0.595 nan 8.370 nan 0.000 0.494 120 A N 0.185 123.013 122.820 0.012 0.000 1.942 120 A HA 0.256 4.577 4.320 0.002 0.000 0.209 120 A C 0.994 178.573 177.584 -0.008 0.000 1.214 120 A CA 0.679 52.766 52.037 0.083 0.000 0.686 120 A CB 0.322 19.470 19.000 0.247 0.000 0.871 120 A HN 0.109 nan 8.150 nan 0.000 0.460 121 V N -4.906 114.952 119.914 -0.093 0.000 3.147 121 V HA 0.637 4.758 4.120 0.002 0.000 0.306 121 V C -3.440 172.533 176.094 -0.202 0.000 1.209 121 V CA -2.639 59.569 62.300 -0.154 0.000 1.023 121 V CB 1.567 33.334 31.823 -0.094 0.000 1.059 121 V HN 0.069 nan 8.190 nan 0.000 0.435 122 P HA 0.429 nan 4.420 nan 0.000 0.277 122 P C -2.860 174.323 177.300 -0.194 0.000 1.276 122 P CA -1.449 61.512 63.100 -0.231 0.000 0.788 122 P CB -0.612 30.890 31.700 -0.329 0.000 1.114 123 P HA 0.141 nan 4.420 nan 0.000 0.266 123 P C -2.276 174.953 177.300 -0.119 0.000 1.195 123 P CA -0.648 62.376 63.100 -0.128 0.000 0.768 123 P CB -1.300 30.342 31.700 -0.097 0.000 0.838 124 P HA 0.015 nan 4.420 nan 0.000 0.263 124 P C -2.267 174.996 177.300 -0.061 0.000 1.175 124 P CA -0.481 62.581 63.100 -0.063 0.000 0.761 124 P CB -1.016 30.665 31.700 -0.032 0.000 0.794 125 P HA -0.034 nan 4.420 nan 0.000 0.258 125 P C -1.779 175.502 177.300 -0.032 0.000 1.172 125 P CA -0.487 62.583 63.100 -0.050 0.000 0.762 125 P CB -0.382 31.295 31.700 -0.037 0.000 0.764 126 P HA -0.141 nan 4.420 nan 0.000 0.218 126 P C 1.041 178.334 177.300 -0.012 0.000 1.146 126 P CA 1.502 64.590 63.100 -0.020 0.000 0.813 126 P CB -0.008 31.681 31.700 -0.019 0.000 0.778 127 S N -2.099 113.596 115.700 -0.010 0.000 2.561 127 S HA 0.212 4.683 4.470 0.002 0.000 0.225 127 S C 1.649 176.249 174.600 -0.000 0.000 0.977 127 S CA 0.922 59.121 58.200 -0.003 0.000 0.926 127 S CB -0.612 62.588 63.200 0.000 0.000 0.769 127 S HN 0.359 nan 8.310 nan 0.000 0.533 128 G N 0.899 109.698 108.800 -0.002 0.000 2.179 128 G HA2 -0.160 3.801 3.960 0.002 0.000 0.220 128 G HA3 -0.160 3.801 3.960 0.002 0.000 0.220 128 G C 0.358 175.261 174.900 0.005 0.000 0.990 128 G CA -0.329 44.772 45.100 0.002 0.000 0.646 128 G HN 0.798 nan 8.290 nan 0.000 0.517 129 G N 1.072 109.875 108.800 0.004 0.000 2.559 129 G HA2 0.478 4.439 3.960 0.002 0.000 0.235 129 G HA3 0.478 4.439 3.960 0.002 0.000 0.235 129 G C -1.261 173.644 174.900 0.008 0.000 1.266 129 G CA 0.131 45.236 45.100 0.009 0.000 0.847 129 G HN 0.341 nan 8.290 nan 0.000 0.583 130 P HA 0.215 nan 4.420 nan 0.000 0.271 130 P C -2.541 174.764 177.300 0.008 0.000 1.218 130 P CA -1.203 61.906 63.100 0.015 0.000 0.780 130 P CB 0.313 32.025 31.700 0.021 0.000 0.901 131 P HA 0.049 nan 4.420 nan 0.000 0.266 131 P C 0.379 177.677 177.300 -0.004 0.000 1.195 131 P CA 0.290 63.381 63.100 -0.015 0.000 0.768 131 P CB 0.226 31.924 31.700 -0.002 0.000 0.838 132 Q N 1.739 121.530 119.800 -0.015 0.000 2.164 132 Q HA 0.215 4.556 4.340 0.002 0.000 0.226 132 Q C 0.352 176.368 176.000 0.028 0.000 0.813 132 Q CA 0.055 55.870 55.803 0.020 0.000 0.978 132 Q CB -0.016 28.761 28.738 0.065 0.000 1.149 132 Q HN 0.337 nan 8.270 nan 0.000 0.489 133 L N 0.941 122.150 121.223 -0.023 0.000 2.818 133 L HA 0.560 4.901 4.340 0.002 0.000 0.243 133 L C 0.298 177.193 176.870 0.042 0.000 1.185 133 L CA 0.104 54.947 54.840 0.005 0.000 0.988 133 L CB 1.030 42.922 42.059 -0.277 0.000 1.292 133 L HN 0.386 nan 8.230 nan 0.000 0.519 134 G N 0.012 108.829 108.800 0.028 0.000 2.316 134 G HA2 -0.087 3.874 3.960 0.002 0.000 0.468 134 G HA3 -0.087 3.874 3.960 0.002 0.000 0.468 134 G C -1.512 173.422 174.900 0.058 0.000 1.523 134 G CA -0.966 44.161 45.100 0.045 0.000 0.972 134 G HN 0.170 nan 8.290 nan 0.000 0.667 135 N N 0.184 118.934 118.700 0.083 0.000 2.511 135 N HA 0.440 5.181 4.740 0.002 0.000 0.249 135 N C -0.560 175.048 175.510 0.163 0.000 0.971 135 N CA -0.517 52.599 53.050 0.110 0.000 0.938 135 N CB 1.569 40.105 38.487 0.082 0.000 1.131 135 N HN 0.637 nan 8.380 nan 0.000 0.505 136 W N 4.823 126.129 121.300 0.010 0.000 2.238 136 W HA 0.369 5.030 4.660 0.001 0.000 0.321 136 W C -0.634 175.903 176.519 0.031 0.000 1.293 136 W CA -0.562 56.791 57.345 0.014 0.000 1.204 136 W CB 0.581 30.040 29.460 -0.001 0.000 1.167 136 W HN 0.308 nan 8.180 nan 0.000 0.553 137 M N 6.606 125.734 119.600 -0.787 0.000 2.327 137 M HA 0.319 4.800 4.480 0.002 0.000 0.298 137 M C -0.169 175.395 176.300 -1.226 0.000 1.065 137 M CA -0.545 54.260 55.300 -0.826 0.000 0.916 137 M CB 1.470 33.891 32.600 -0.298 0.000 1.630 137 M HN 0.524 nan 8.290 nan 0.000 0.442 138 S N 4.226 119.199 115.700 -1.211 0.000 2.579 138 S HA 0.355 4.826 4.470 0.002 0.000 0.275 138 S C -2.277 172.185 174.600 -0.230 0.000 1.345 138 S CA -0.859 56.906 58.200 -0.726 0.000 1.031 138 S CB 0.400 63.361 63.200 -0.397 0.000 0.892 138 S HN 0.620 nan 8.310 nan 0.000 0.529 139 P HA -0.086 nan 4.420 nan 0.000 0.216 139 P C 0.985 178.335 177.300 0.085 0.000 1.150 139 P CA 1.118 64.260 63.100 0.071 0.000 0.837 139 P CB -0.050 31.700 31.700 0.084 0.000 0.786 140 N N -0.479 118.239 118.700 0.029 0.000 2.084 140 N HA -0.109 4.632 4.740 0.002 0.000 0.190 140 N C 1.751 177.254 175.510 -0.012 0.000 1.030 140 N CA 1.630 54.687 53.050 0.011 0.000 0.849 140 N CB -1.155 37.338 38.487 0.009 0.000 1.012 140 N HN 0.037 nan 8.380 nan 0.000 0.423 141 A N 0.331 123.129 122.820 -0.037 0.000 1.933 141 A HA -0.126 4.195 4.320 0.002 0.000 0.218 141 A C 2.113 179.694 177.584 -0.005 0.000 1.175 141 A CA 0.963 52.973 52.037 -0.046 0.000 0.628 141 A CB -0.909 18.032 19.000 -0.099 0.000 0.814 141 A HN 0.307 nan 8.150 nan 0.000 0.444 142 F N 0.651 120.531 119.950 -0.116 0.000 2.102 142 F HA -0.193 4.335 4.527 0.001 0.000 0.298 142 F C 2.424 178.192 175.800 -0.053 0.000 1.105 142 F CA 2.147 60.097 58.000 -0.082 0.000 1.239 142 F CB -0.330 38.618 39.000 -0.088 0.000 0.991 142 F HN 0.185 nan 8.300 nan 0.000 0.474 143 Q N 0.728 120.389 119.800 -0.233 0.000 2.096 143 Q HA -0.158 4.183 4.340 0.002 0.000 0.204 143 Q C 2.531 178.381 176.000 -0.249 0.000 0.982 143 Q CA 1.657 57.278 55.803 -0.304 0.000 0.850 143 Q CB -1.294 27.376 28.738 -0.112 0.000 0.901 143 Q HN 0.555 nan 8.270 nan 0.000 0.422 144 A N 0.996 123.723 122.820 -0.155 0.000 1.902 144 A HA -0.108 4.213 4.320 0.002 0.000 0.217 144 A C 2.339 179.836 177.584 -0.145 0.000 1.181 144 A CA 2.076 54.041 52.037 -0.120 0.000 0.623 144 A CB -0.736 18.219 19.000 -0.075 0.000 0.818 144 A HN 0.372 nan 8.150 nan 0.000 0.443 145 A N -0.594 122.128 122.820 -0.164 0.000 1.877 145 A HA -0.011 4.310 4.320 0.002 0.000 0.216 145 A C 2.243 179.701 177.584 -0.211 0.000 1.186 145 A CA 1.824 53.767 52.037 -0.155 0.000 0.620 145 A CB -0.996 17.953 19.000 -0.084 0.000 0.822 145 A HN 0.401 nan 8.150 nan 0.000 0.443 146 V N 0.006 119.730 119.914 -0.317 0.000 2.295 146 V HA -0.286 3.835 4.120 0.002 0.000 0.246 146 V C 2.747 178.770 176.094 -0.118 0.000 1.049 146 V CA 2.384 64.553 62.300 -0.218 0.000 1.024 146 V CB -0.763 30.759 31.823 -0.501 0.000 0.648 146 V HN 0.730 nan 8.190 nan 0.000 0.447 147 Q N 0.964 120.669 119.800 -0.158 0.000 2.291 147 Q HA -0.211 4.130 4.340 0.002 0.000 0.206 147 Q C 2.044 177.982 176.000 -0.102 0.000 0.976 147 Q CA 1.990 57.730 55.803 -0.105 0.000 0.875 147 Q CB -0.293 28.386 28.738 -0.099 0.000 0.927 147 Q HN 0.869 nan 8.270 nan 0.000 0.450 148 E N -1.607 118.509 120.200 -0.140 0.000 2.447 148 E HA -0.014 4.337 4.350 0.002 0.000 0.195 148 E C 1.474 177.941 176.600 -0.222 0.000 1.028 148 E CA 0.062 56.376 56.400 -0.143 0.000 0.876 148 E CB 0.170 29.799 29.700 -0.119 0.000 0.885 148 E HN 0.243 nan 8.360 nan 0.000 0.500 149 R N -0.792 119.492 120.500 -0.360 0.000 2.144 149 R HA 0.240 4.581 4.340 0.002 0.000 0.195 149 R C 1.667 177.587 176.300 -0.633 0.000 1.077 149 R CA 0.379 55.996 56.100 -0.804 0.000 1.120 149 R CB -0.046 29.319 30.300 -1.559 0.000 1.060 149 R HN 0.056 nan 8.270 nan 0.000 0.520 150 F N 1.485 121.227 119.950 -0.346 0.000 2.270 150 F HA 0.123 4.651 4.527 0.002 0.000 0.295 150 F C -1.386 174.392 175.800 -0.036 0.000 1.087 150 F CA -0.357 57.581 58.000 -0.103 0.000 1.365 150 F CB -0.695 38.256 39.000 -0.081 0.000 1.056 150 F HN -0.196 nan 8.300 nan 0.000 0.506 151 P HA 0.083 nan 4.420 nan 0.000 0.258 151 P C 0.628 177.954 177.300 0.043 0.000 1.187 151 P CA 1.514 64.647 63.100 0.055 0.000 0.767 151 P CB 0.116 31.823 31.700 0.013 0.000 0.770 152 G N 3.000 111.829 108.800 0.049 0.000 2.162 152 G HA2 -0.389 3.572 3.960 0.002 0.000 0.260 152 G HA3 -0.389 3.572 3.960 0.002 0.000 0.260 152 G C 1.157 176.080 174.900 0.039 0.000 0.976 152 G CA 0.261 45.380 45.100 0.032 0.000 0.655 152 G HN 0.683 nan 8.290 nan 0.000 0.533 153 C N -1.122 118.220 119.300 0.069 0.000 2.432 153 C HA 0.433 4.894 4.460 0.002 0.000 0.282 153 C C 2.337 177.339 174.990 0.020 0.000 1.388 153 C CA 1.452 60.509 59.018 0.065 0.000 1.777 153 C CB -0.682 27.136 27.740 0.130 0.000 1.882 153 C HN 0.485 nan 8.230 nan 0.000 0.520 154 M N 1.351 120.968 119.600 0.028 0.000 2.475 154 M HA 0.313 4.794 4.480 0.002 0.000 0.261 154 M C 1.008 177.304 176.300 -0.006 0.000 1.177 154 M CA -0.038 55.263 55.300 0.003 0.000 0.979 154 M CB -0.014 32.594 32.600 0.014 0.000 1.482 154 M HN 0.355 nan 8.290 nan 0.000 0.484 155 A N 0.903 123.722 122.820 -0.002 0.000 2.580 155 A HA 0.334 4.655 4.320 0.002 0.000 0.244 155 A C 1.474 179.049 177.584 -0.013 0.000 1.045 155 A CA 1.135 53.168 52.037 -0.007 0.000 0.761 155 A CB -0.633 18.365 19.000 -0.003 0.000 0.962 155 A HN 0.908 nan 8.150 nan 0.000 0.512 156 G N 2.326 111.116 108.800 -0.016 0.000 2.179 156 G HA2 -0.247 3.714 3.960 0.002 0.000 0.260 156 G HA3 -0.247 3.714 3.960 0.002 0.000 0.260 156 G C 0.356 175.243 174.900 -0.022 0.000 0.977 156 G CA 0.704 45.793 45.100 -0.018 0.000 0.641 156 G HN 0.966 nan 8.290 nan 0.000 0.533 157 R N 0.672 121.157 120.500 -0.026 0.000 2.732 157 R HA 0.523 4.864 4.340 0.002 0.000 0.278 157 R C -2.662 173.602 176.300 -0.059 0.000 0.976 157 R CA -2.028 54.056 56.100 -0.027 0.000 0.963 157 R CB 1.864 32.156 30.300 -0.014 0.000 1.150 157 R HN 0.067 nan 8.270 nan 0.000 0.478 158 P HA 0.048 nan 4.420 nan 0.000 0.276 158 P C -0.776 176.378 177.300 -0.243 0.000 1.230 158 P CA -0.179 62.773 63.100 -0.245 0.000 0.776 158 P CB 0.685 32.116 31.700 -0.448 0.000 0.888 159 L N 4.652 125.737 121.223 -0.230 0.000 2.276 159 L HA 0.378 4.719 4.340 0.002 0.000 0.286 159 L C -0.860 175.872 176.870 -0.230 0.000 1.061 159 L CA -0.704 54.060 54.840 -0.127 0.000 0.807 159 L CB 0.077 42.095 42.059 -0.068 0.000 1.177 159 L HN 0.246 nan 8.230 nan 0.000 0.429 160 Y N 3.957 124.266 120.300 0.015 0.000 2.330 160 Y HA 0.444 4.995 4.550 0.002 0.000 0.336 160 Y C -0.010 175.913 175.900 0.037 0.000 1.036 160 Y CA -0.682 57.431 58.100 0.020 0.000 1.125 160 Y CB 1.748 40.220 38.460 0.021 0.000 1.194 160 Y HN 0.221 nan 8.280 nan 0.000 0.469 161 V N 5.845 125.856 119.914 0.161 0.000 2.350 161 V HA 0.328 4.449 4.120 0.002 0.000 0.276 161 V C -0.146 176.042 176.094 0.156 0.000 1.028 161 V CA -0.713 61.667 62.300 0.134 0.000 0.860 161 V CB 0.794 32.657 31.823 0.067 0.000 0.990 161 V HN 0.590 nan 8.190 nan 0.000 0.453 162 I N 7.501 128.190 120.570 0.198 0.000 2.388 162 I HA 0.348 4.519 4.170 0.002 0.000 0.281 162 I C -2.518 173.774 176.117 0.292 0.000 1.046 162 I CA -1.912 59.513 61.300 0.209 0.000 1.187 162 I CB 1.685 39.792 38.000 0.178 0.000 1.351 162 I HN 0.415 nan 8.210 nan 0.000 0.472 163 P HA 0.280 nan 4.420 nan 0.000 0.276 163 P C -0.948 176.484 177.300 0.220 0.000 1.230 163 P CA -0.002 63.163 63.100 0.108 0.000 0.776 163 P CB 0.430 32.130 31.700 0.001 0.000 0.888 164 F N -0.820 119.160 119.950 0.049 0.000 2.645 164 F HA 0.736 5.264 4.527 0.002 0.000 0.310 164 F C -0.960 174.872 175.800 0.053 0.000 1.102 164 F CA -1.250 56.773 58.000 0.039 0.000 0.952 164 F CB 1.167 40.188 39.000 0.034 0.000 1.326 164 F HN 0.159 nan 8.300 nan 0.000 0.456 165 S N 2.727 118.508 115.700 0.136 0.000 2.454 165 S HA 0.650 5.121 4.470 0.002 0.000 0.306 165 S C -0.704 173.923 174.600 0.045 0.000 1.100 165 S CA -0.769 57.447 58.200 0.027 0.000 1.087 165 S CB 0.707 63.904 63.200 -0.003 0.000 1.019 165 S HN 0.606 nan 8.310 nan 0.000 0.480 166 M N 4.345 123.900 119.600 -0.074 0.000 2.151 166 M HA 0.432 4.913 4.480 0.002 0.000 0.349 166 M C 0.745 176.863 176.300 -0.304 0.000 1.284 166 M CA 0.192 55.313 55.300 -0.297 0.000 1.173 166 M CB -0.509 31.732 32.600 -0.599 0.000 1.469 166 M HN 1.011 nan 8.290 nan 0.000 0.439 167 G N 5.668 114.305 108.800 -0.272 0.000 2.619 167 G HA2 -0.041 3.920 3.960 0.002 0.000 0.686 167 G HA3 -0.041 3.920 3.960 0.002 0.000 0.686 167 G C -3.345 171.465 174.900 -0.150 0.000 1.256 167 G CA -1.429 43.541 45.100 -0.217 0.000 0.826 167 G HN 0.377 nan 8.290 nan 0.000 0.619 168 P HA 0.212 nan 4.420 nan 0.000 0.264 168 P C -1.735 175.504 177.300 -0.102 0.000 1.193 168 P CA -0.815 62.192 63.100 -0.155 0.000 0.763 168 P CB 0.476 32.059 31.700 -0.195 0.000 0.810 169 P HA -0.164 nan 4.420 nan 0.000 0.218 169 P C 1.178 178.449 177.300 -0.048 0.000 1.148 169 P CA 1.739 64.808 63.100 -0.050 0.000 0.822 169 P CB -0.433 31.243 31.700 -0.040 0.000 0.784 170 T N -5.303 109.216 114.554 -0.059 0.000 3.129 170 T HA 0.103 4.454 4.350 0.002 0.000 0.251 170 T C 0.869 175.533 174.700 -0.060 0.000 1.117 170 T CA -0.239 61.829 62.100 -0.054 0.000 1.034 170 T CB -0.732 68.104 68.868 -0.055 0.000 0.968 170 T HN -0.060 nan 8.240 nan 0.000 0.526 171 S N 2.357 118.016 115.700 -0.069 0.000 2.549 171 S HA 0.259 4.730 4.470 0.002 0.000 0.279 171 S C -1.472 173.088 174.600 -0.067 0.000 1.321 171 S CA -1.389 56.767 58.200 -0.074 0.000 1.054 171 S CB 0.946 64.096 63.200 -0.083 0.000 0.899 171 S HN 0.087 nan 8.310 nan 0.000 0.497 172 P HA -0.034 nan 4.420 nan 0.000 0.221 172 P C 0.644 177.866 177.300 -0.130 0.000 1.145 172 P CA 1.060 64.109 63.100 -0.085 0.000 0.795 172 P CB 0.072 31.725 31.700 -0.078 0.000 0.775 173 L N -2.720 118.428 121.223 -0.125 0.000 2.607 173 L HA 0.267 4.608 4.340 0.002 0.000 0.228 173 L C 1.129 177.971 176.870 -0.047 0.000 1.123 173 L CA -0.456 54.273 54.840 -0.184 0.000 0.890 173 L CB -0.491 41.494 42.059 -0.124 0.000 1.103 173 L HN -0.136 nan 8.230 nan 0.000 0.468 174 A N 1.005 123.823 122.820 -0.003 0.000 2.386 174 A HA 0.438 4.759 4.320 0.002 0.000 0.248 174 A C 0.034 177.705 177.584 0.145 0.000 1.082 174 A CA 0.127 52.215 52.037 0.085 0.000 0.789 174 A CB 0.411 19.413 19.000 0.002 0.000 1.025 174 A HN 0.046 nan 8.150 nan 0.000 0.490 175 K N 1.266 121.842 120.400 0.292 0.000 2.422 175 K HA 0.544 4.865 4.320 0.002 0.000 0.251 175 K C -1.142 175.621 176.600 0.271 0.000 0.933 175 K CA -0.345 56.134 56.287 0.319 0.000 0.798 175 K CB 1.859 34.677 32.500 0.529 0.000 1.238 175 K HN 0.646 nan 8.250 nan 0.000 0.428 176 L N 0.609 121.967 121.223 0.224 0.000 2.375 176 L HA 0.730 5.071 4.340 0.002 0.000 0.268 176 L C 0.780 177.705 176.870 0.092 0.000 1.058 176 L CA -0.889 53.991 54.840 0.067 0.000 0.803 176 L CB 1.680 43.750 42.059 0.019 0.000 1.212 176 L HN 0.717 nan 8.230 nan 0.000 0.451 177 G N 0.351 108.899 108.800 -0.419 0.000 2.642 177 G HA2 0.630 4.591 3.960 0.002 0.000 0.293 177 G HA3 0.630 4.591 3.960 0.002 0.000 0.293 177 G C -1.709 172.914 174.900 -0.462 0.000 1.341 177 G CA -0.385 44.405 45.100 -0.517 0.000 0.916 177 G HN 0.273 nan 8.290 nan 0.000 0.474 178 V N 0.669 120.609 119.914 0.044 0.000 2.443 178 V HA 0.456 4.577 4.120 0.002 0.000 0.293 178 V C -0.222 176.190 176.094 0.531 0.000 1.021 178 V CA -0.628 61.799 62.300 0.212 0.000 0.848 178 V CB 1.353 33.214 31.823 0.064 0.000 0.998 178 V HN 0.818 nan 8.190 nan 0.000 0.424 179 Q N 3.920 124.095 119.800 0.625 0.000 2.325 179 Q HA 0.660 5.001 4.340 0.002 0.000 0.262 179 Q C -0.750 175.475 176.000 0.376 0.000 0.968 179 Q CA -0.576 55.536 55.803 0.516 0.000 0.877 179 Q CB 1.979 30.938 28.738 0.368 0.000 1.253 179 Q HN 0.780 nan 8.270 nan 0.000 0.448 180 V N 1.264 121.393 119.914 0.359 0.000 2.539 180 V HA 0.859 4.980 4.120 0.002 0.000 0.292 180 V C -0.333 175.916 176.094 0.258 0.000 1.045 180 V CA -0.254 62.177 62.300 0.218 0.000 0.945 180 V CB 1.508 33.351 31.823 0.034 0.000 0.993 180 V HN 0.803 nan 8.190 nan 0.000 0.464 181 T N 1.735 116.441 114.554 0.252 0.000 2.853 181 T HA 0.451 4.802 4.350 0.002 0.000 0.311 181 T C -0.636 174.231 174.700 0.278 0.000 1.307 181 T CA 0.183 62.466 62.100 0.305 0.000 1.019 181 T CB 1.951 71.024 68.868 0.342 0.000 1.264 181 T HN 1.019 nan 8.240 nan 0.000 0.497 182 D N 0.951 121.466 120.400 0.192 0.000 2.424 182 D HA 0.248 4.889 4.640 0.002 0.000 0.220 182 D C 0.241 176.629 176.300 0.146 0.000 1.150 182 D CA -0.219 53.882 54.000 0.169 0.000 0.831 182 D CB 0.303 41.123 40.800 0.034 0.000 0.981 182 D HN 0.243 nan 8.370 nan 0.000 0.500 183 S N 0.806 116.582 115.700 0.126 0.000 2.566 183 S HA 0.414 4.885 4.470 0.002 0.000 0.324 183 S C -1.991 172.515 174.600 -0.157 0.000 1.081 183 S CA -1.500 56.700 58.200 -0.000 0.000 1.105 183 S CB 1.586 64.816 63.200 0.049 0.000 0.981 183 S HN -0.238 nan 8.310 nan 0.000 0.464 184 P HA -0.082 nan 4.420 nan 0.000 0.220 184 P C 1.001 178.167 177.300 -0.222 0.000 1.148 184 P CA 0.716 63.561 63.100 -0.425 0.000 0.803 184 P CB -0.101 31.433 31.700 -0.277 0.000 0.782 185 Y N 0.610 120.786 120.300 -0.207 0.000 2.165 185 Y HA -0.228 4.323 4.550 0.002 0.000 0.286 185 Y C 2.067 177.882 175.900 -0.142 0.000 1.155 185 Y CA 1.441 59.468 58.100 -0.121 0.000 1.164 185 Y CB -0.939 37.492 38.460 -0.049 0.000 0.978 185 Y HN -0.285 nan 8.280 nan 0.000 0.513 186 V N -0.691 119.210 119.914 -0.022 0.000 2.343 186 V HA -0.323 3.798 4.120 0.002 0.000 0.247 186 V C 2.338 178.285 176.094 -0.244 0.000 1.051 186 V CA 1.753 63.965 62.300 -0.146 0.000 1.036 186 V CB -0.810 30.945 31.823 -0.114 0.000 0.654 186 V HN 0.392 nan 8.190 nan 0.000 0.451 187 V N -0.340 119.421 119.914 -0.255 0.000 2.287 187 V HA -0.272 3.849 4.120 0.002 0.000 0.248 187 V C 2.368 178.312 176.094 -0.250 0.000 1.053 187 V CA 2.200 64.346 62.300 -0.258 0.000 1.027 187 V CB -0.664 30.932 31.823 -0.378 0.000 0.646 187 V HN 0.503 nan 8.190 nan 0.000 0.447 188 L N 0.100 121.152 121.223 -0.284 0.000 2.012 188 L HA -0.153 4.188 4.340 0.002 0.000 0.210 188 L C 2.495 179.200 176.870 -0.276 0.000 1.073 188 L CA 2.295 56.976 54.840 -0.265 0.000 0.748 188 L CB -0.551 41.337 42.059 -0.286 0.000 0.891 188 L HN 0.276 nan 8.230 nan 0.000 0.431 189 S N -1.162 114.314 115.700 -0.373 0.000 2.406 189 S HA -0.075 4.396 4.470 0.002 0.000 0.228 189 S C 1.887 176.305 174.600 -0.303 0.000 1.020 189 S CA 1.129 59.111 58.200 -0.364 0.000 0.965 189 S CB -0.179 62.715 63.200 -0.509 0.000 0.798 189 S HN 0.346 nan 8.310 nan 0.000 0.488 190 M N 1.287 120.707 119.600 -0.301 0.000 2.175 190 M HA 0.006 4.487 4.480 0.002 0.000 0.264 190 M C 2.027 178.196 176.300 -0.218 0.000 1.063 190 M CA 1.284 56.404 55.300 -0.300 0.000 1.119 190 M CB -1.023 31.383 32.600 -0.323 0.000 1.377 190 M HN 0.234 nan 8.290 nan 0.000 0.415 191 R N 0.033 120.432 120.500 -0.169 0.000 2.105 191 R HA -0.100 4.241 4.340 0.002 0.000 0.239 191 R C 2.118 178.360 176.300 -0.096 0.000 1.135 191 R CA 1.278 57.313 56.100 -0.108 0.000 0.967 191 R CB -0.431 29.813 30.300 -0.093 0.000 0.861 191 R HN 0.348 nan 8.270 nan 0.000 0.442 192 I N -0.158 120.340 120.570 -0.120 0.000 2.286 192 I HA -0.200 3.971 4.170 0.002 0.000 0.245 192 I C 1.990 178.041 176.117 -0.110 0.000 1.104 192 I CA 0.919 62.161 61.300 -0.096 0.000 1.397 192 I CB -0.040 37.904 38.000 -0.093 0.000 1.072 192 I HN 0.133 nan 8.210 nan 0.000 0.417 193 M N -0.003 119.503 119.600 -0.156 0.000 2.514 193 M HA 0.109 4.590 4.480 0.002 0.000 0.258 193 M C 0.948 177.150 176.300 -0.163 0.000 1.119 193 M CA 0.645 55.840 55.300 -0.176 0.000 1.111 193 M CB -0.821 31.636 32.600 -0.238 0.000 1.390 193 M HN 0.325 nan 8.290 nan 0.000 0.475 194 T N -0.977 113.494 114.554 -0.138 0.000 2.838 194 T HA 0.603 4.954 4.350 0.002 0.000 0.292 194 T C -0.242 174.445 174.700 -0.021 0.000 1.113 194 T CA -1.083 60.970 62.100 -0.078 0.000 1.008 194 T CB 2.273 71.096 68.868 -0.074 0.000 1.259 194 T HN 0.096 nan 8.240 nan 0.000 0.520 195 R N 0.975 121.487 120.500 0.021 0.000 2.265 195 R HA 0.636 4.977 4.340 0.002 0.000 0.314 195 R C -1.000 175.343 176.300 0.072 0.000 1.053 195 R CA -0.613 55.502 56.100 0.025 0.000 0.931 195 R CB 0.838 31.137 30.300 -0.001 0.000 1.024 195 R HN 0.525 nan 8.270 nan 0.000 0.457 196 V N 1.765 121.707 119.914 0.047 0.000 2.483 196 V HA 0.802 4.923 4.120 0.002 0.000 0.297 196 V C 0.426 176.538 176.094 0.031 0.000 1.027 196 V CA -0.412 61.923 62.300 0.060 0.000 0.855 196 V CB 1.686 33.536 31.823 0.046 0.000 0.995 196 V HN 1.058 nan 8.190 nan 0.000 0.424 197 G N 5.253 114.070 108.800 0.029 0.000 2.320 197 G HA2 0.327 4.288 3.960 0.002 0.000 0.297 197 G HA3 0.327 4.288 3.960 0.002 0.000 0.297 197 G C -2.905 172.000 174.900 0.008 0.000 1.344 197 G CA -0.303 44.806 45.100 0.015 0.000 0.851 197 G HN 0.376 nan 8.290 nan 0.000 0.567 198 P HA -0.058 nan 4.420 nan 0.000 0.216 198 P C 2.102 179.398 177.300 -0.007 0.000 1.150 198 P CA 2.602 65.701 63.100 -0.002 0.000 0.843 198 P CB 0.125 31.824 31.700 -0.002 0.000 0.787 199 A N -1.091 121.724 122.820 -0.009 0.000 2.015 199 A HA -0.102 4.219 4.320 0.002 0.000 0.219 199 A C 2.216 179.791 177.584 -0.016 0.000 1.163 199 A CA 1.466 53.494 52.037 -0.015 0.000 0.646 199 A CB -1.383 17.605 19.000 -0.021 0.000 0.806 199 A HN 0.059 nan 8.150 nan 0.000 0.448 200 V N -0.678 119.230 119.914 -0.011 0.000 2.331 200 V HA -0.129 3.992 4.120 0.002 0.000 0.242 200 V C 2.350 178.431 176.094 -0.023 0.000 1.034 200 V CA 1.507 63.799 62.300 -0.013 0.000 1.027 200 V CB -0.751 31.075 31.823 0.004 0.000 0.667 200 V HN 0.530 nan 8.190 nan 0.000 0.457 201 L N 1.185 122.397 121.223 -0.018 0.000 2.127 201 L HA -0.229 4.112 4.340 0.002 0.000 0.211 201 L C 2.592 179.445 176.870 -0.028 0.000 1.089 201 L CA 2.303 57.126 54.840 -0.028 0.000 0.757 201 L CB -0.777 41.272 42.059 -0.016 0.000 0.899 201 L HN 0.642 nan 8.230 nan 0.000 0.434 202 Q N -1.378 118.410 119.800 -0.020 0.000 2.311 202 Q HA -0.136 4.205 4.340 0.002 0.000 0.203 202 Q C 1.859 177.850 176.000 -0.016 0.000 0.954 202 Q CA 0.995 56.788 55.803 -0.016 0.000 0.885 202 Q CB -0.266 28.464 28.738 -0.013 0.000 0.963 202 Q HN 0.485 nan 8.270 nan 0.000 0.471 203 R N 0.051 120.540 120.500 -0.018 0.000 2.254 203 R HA 0.180 4.521 4.340 0.002 0.000 0.195 203 R C 0.150 176.444 176.300 -0.009 0.000 0.957 203 R CA -0.270 55.822 56.100 -0.012 0.000 1.024 203 R CB 0.129 30.421 30.300 -0.013 0.000 0.952 203 R HN 0.161 nan 8.270 nan 0.000 0.484 204 L N 2.725 123.932 121.223 -0.028 0.000 2.462 204 L HA -0.003 4.338 4.340 0.002 0.000 0.272 204 L C 0.007 176.872 176.870 -0.007 0.000 1.166 204 L CA 0.504 55.318 54.840 -0.043 0.000 0.880 204 L CB 0.325 42.309 42.059 -0.127 0.000 1.142 204 L HN 0.158 nan 8.230 nan 0.000 0.473 205 D N 1.638 122.072 120.400 0.057 0.000 3.124 205 D HA 0.128 4.769 4.640 0.002 0.000 0.238 205 D C 0.392 176.832 176.300 0.234 0.000 1.319 205 D CA -0.115 53.943 54.000 0.097 0.000 1.057 205 D CB -0.184 40.656 40.800 0.067 0.000 1.244 205 D HN 0.407 nan 8.370 nan 0.000 0.634 206 D N -0.875 119.636 120.400 0.185 0.000 2.312 206 D HA -0.083 4.558 4.640 0.002 0.000 0.211 206 D C -0.264 176.099 176.300 0.104 0.000 0.964 206 D CA 0.387 54.498 54.000 0.184 0.000 0.877 206 D CB -0.087 40.748 40.800 0.058 0.000 0.924 206 D HN 0.206 nan 8.370 nan 0.000 0.515 207 D N -0.057 120.425 120.400 0.137 0.000 2.517 207 D HA 0.154 4.795 4.640 0.002 0.000 0.220 207 D C -0.935 175.459 176.300 0.156 0.000 1.158 207 D CA -0.213 53.820 54.000 0.055 0.000 0.992 207 D CB -0.769 40.060 40.800 0.047 0.000 1.058 207 D HN 0.179 nan 8.370 nan 0.000 0.516 208 F N -0.028 119.873 119.950 -0.081 0.000 2.668 208 F HA 0.527 5.055 4.527 0.002 0.000 0.309 208 F C -1.408 174.270 175.800 -0.203 0.000 1.117 208 F CA -1.372 56.560 58.000 -0.114 0.000 0.951 208 F CB 0.698 39.629 39.000 -0.115 0.000 1.323 208 F HN -0.230 nan 8.300 nan 0.000 0.451 209 V N 2.620 122.436 119.914 -0.163 0.000 2.461 209 V HA 0.424 4.545 4.120 0.002 0.000 0.275 209 V C -0.041 175.917 176.094 -0.227 0.000 1.047 209 V CA -0.495 61.573 62.300 -0.386 0.000 0.955 209 V CB 0.911 32.256 31.823 -0.798 0.000 0.988 209 V HN 0.634 nan 8.190 nan 0.000 0.471 210 R N 3.325 123.555 120.500 -0.450 0.000 2.248 210 R HA 0.403 4.744 4.340 0.002 0.000 0.328 210 R C -0.800 175.339 176.300 -0.269 0.000 1.067 210 R CA 0.061 55.745 56.100 -0.693 0.000 0.924 210 R CB 0.370 29.987 30.300 -1.138 0.000 1.013 210 R HN 0.732 nan 8.270 nan 0.000 0.454 211 C N 5.158 124.509 119.300 0.085 0.000 2.321 211 C HA 0.419 4.880 4.460 0.002 0.000 0.323 211 C C -0.865 174.427 174.990 0.503 0.000 1.191 211 C CA -1.009 58.191 59.018 0.303 0.000 1.455 211 C CB 0.077 28.053 27.740 0.393 0.000 2.083 211 C HN 0.602 nan 8.230 nan 0.000 0.442 212 L N 4.986 126.462 121.223 0.421 0.000 2.296 212 L HA 0.602 4.943 4.340 0.002 0.000 0.286 212 L C -0.388 176.729 176.870 0.412 0.000 1.023 212 L CA 0.351 55.423 54.840 0.387 0.000 0.812 212 L CB 0.353 42.547 42.059 0.227 0.000 1.223 212 L HN 0.792 nan 8.230 nan 0.000 0.421 213 H N 3.553 122.811 119.070 0.313 0.000 2.759 213 H HA 0.570 5.127 4.556 0.002 0.000 0.354 213 H C -1.862 173.632 175.328 0.276 0.000 1.074 213 H CA -0.362 55.866 56.048 0.300 0.000 1.226 213 H CB 1.977 31.850 29.762 0.185 0.000 1.648 213 H HN 0.672 nan 8.280 nan 0.000 0.529 214 S N 3.423 118.871 115.700 -0.420 0.000 2.541 214 S HA 0.219 4.690 4.470 0.002 0.000 0.280 214 S C 1.081 175.133 174.600 -0.913 0.000 1.112 214 S CA -0.226 57.634 58.200 -0.566 0.000 0.925 214 S CB 1.278 64.353 63.200 -0.210 0.000 1.067 214 S HN 0.563 nan 8.310 nan 0.000 0.479 215 V N 2.022 121.523 119.914 -0.688 0.000 2.970 215 V HA 0.342 4.463 4.120 0.002 0.000 0.260 215 V C 1.420 177.105 176.094 -0.682 0.000 1.100 215 V CA 1.139 63.104 62.300 -0.558 0.000 1.122 215 V CB -1.356 30.244 31.823 -0.372 0.000 0.721 215 V HN 1.886 nan 8.190 nan 0.000 0.483 216 G N 0.936 109.277 108.800 -0.765 0.000 2.212 216 G HA2 -0.206 3.755 3.960 0.002 0.000 0.255 216 G HA3 -0.206 3.755 3.960 0.002 0.000 0.255 216 G C 0.011 174.731 174.900 -0.300 0.000 1.062 216 G CA 0.203 44.821 45.100 -0.804 0.000 0.815 216 G HN 0.559 nan 8.290 nan 0.000 0.497 217 R N 0.250 120.622 120.500 -0.213 0.000 2.585 217 R HA 0.296 4.637 4.340 0.002 0.000 0.278 217 R C -2.596 173.659 176.300 -0.076 0.000 1.663 217 R CA -1.580 54.451 56.100 -0.114 0.000 1.592 217 R CB 1.497 31.726 30.300 -0.118 0.000 1.200 217 R HN 0.328 nan 8.270 nan 0.000 0.611 218 P HA 0.105 nan 4.420 nan 0.000 0.269 218 P C -0.070 177.217 177.300 -0.021 0.000 1.215 218 P CA -0.151 62.933 63.100 -0.026 0.000 0.780 218 P CB 1.079 32.776 31.700 -0.006 0.000 0.898 219 L N 3.262 124.475 121.223 -0.018 0.000 2.343 219 L HA 0.456 4.797 4.340 0.002 0.000 0.275 219 L C -1.647 175.218 176.870 -0.008 0.000 1.056 219 L CA -2.209 52.623 54.840 -0.013 0.000 0.804 219 L CB 0.531 42.583 42.059 -0.013 0.000 1.203 219 L HN 0.289 nan 8.230 nan 0.000 0.440 220 P HA 0.214 nan 4.420 nan 0.000 0.274 220 P C -0.751 176.546 177.300 -0.004 0.000 1.231 220 P CA -0.436 62.662 63.100 -0.004 0.000 0.790 220 P CB 0.774 32.474 31.700 -0.001 0.000 0.951 221 L N 1.709 122.930 121.223 -0.004 0.000 2.426 221 L HA 0.108 4.449 4.340 0.002 0.000 0.271 221 L C 1.775 178.646 176.870 0.001 0.000 1.169 221 L CA 0.076 54.914 54.840 -0.003 0.000 0.836 221 L CB 0.212 42.269 42.059 -0.002 0.000 1.112 221 L HN 0.523 nan 8.230 nan 0.000 0.465 222 T N -1.851 112.705 114.554 0.003 0.000 3.040 222 T HA 0.169 4.520 4.350 0.002 0.000 0.252 222 T C 0.502 175.207 174.700 0.008 0.000 1.064 222 T CA -0.025 62.078 62.100 0.006 0.000 1.110 222 T CB 0.175 69.046 68.868 0.006 0.000 0.921 222 T HN 0.532 nan 8.240 nan 0.000 0.480 223 E N 2.191 122.396 120.200 0.009 0.000 2.256 223 E HA 0.437 4.788 4.350 0.002 0.000 0.267 223 E C -2.712 173.897 176.600 0.015 0.000 0.892 223 E CA -2.700 53.708 56.400 0.013 0.000 0.775 223 E CB 1.753 31.463 29.700 0.016 0.000 1.207 223 E HN 0.163 nan 8.360 nan 0.000 0.420 224 P HA 0.053 nan 4.420 nan 0.000 0.269 224 P C -0.415 176.904 177.300 0.031 0.000 1.215 224 P CA -0.029 63.085 63.100 0.023 0.000 0.780 224 P CB 0.670 32.384 31.700 0.025 0.000 0.898 225 L N 1.170 122.415 121.223 0.037 0.000 2.452 225 L HA 0.197 4.538 4.340 0.002 0.000 0.267 225 L C 0.523 177.436 176.870 0.071 0.000 1.188 225 L CA -0.709 54.164 54.840 0.056 0.000 0.821 225 L CB 0.246 42.342 42.059 0.061 0.000 1.102 225 L HN 0.111 nan 8.230 nan 0.000 0.470 226 V N 1.893 121.864 119.914 0.096 0.000 2.407 226 V HA 0.085 4.206 4.120 0.002 0.000 0.278 226 V C 0.787 176.964 176.094 0.139 0.000 1.037 226 V CA 0.027 62.382 62.300 0.092 0.000 0.900 226 V CB 1.210 33.077 31.823 0.074 0.000 0.983 226 V HN 0.984 nan 8.190 nan 0.000 0.459 227 S N 4.254 120.020 115.700 0.111 0.000 3.581 227 S HA -0.243 4.228 4.470 0.002 0.000 0.354 227 S C 0.885 175.617 174.600 0.220 0.000 1.059 227 S CA 0.832 59.117 58.200 0.141 0.000 1.060 227 S CB -1.111 62.150 63.200 0.102 0.000 0.908 227 S HN 1.721 nan 8.310 nan 0.000 0.475 228 S N -1.287 114.521 115.700 0.180 0.000 3.473 228 S HA -0.216 4.255 4.470 0.002 0.000 0.339 228 S C -0.356 174.371 174.600 0.212 0.000 1.148 228 S CA 1.366 59.666 58.200 0.166 0.000 0.969 228 S CB -1.645 61.645 63.200 0.150 0.000 0.936 228 S HN 0.864 nan 8.310 nan 0.000 0.530 229 W N 3.289 124.598 121.300 0.016 0.000 2.338 229 W HA 0.375 5.035 4.660 0.002 0.000 0.315 229 W C -3.105 173.406 176.519 -0.013 0.000 1.005 229 W CA -2.185 55.158 57.345 -0.004 0.000 1.380 229 W CB 1.299 30.763 29.460 0.005 0.000 1.235 229 W HN -0.001 nan 8.180 nan 0.000 0.409 230 P HA 0.208 nan 4.420 nan 0.000 0.276 230 P C -0.418 176.685 177.300 -0.329 0.000 1.230 230 P CA 0.351 63.294 63.100 -0.261 0.000 0.776 230 P CB 1.077 32.624 31.700 -0.255 0.000 0.888 231 C N 0.007 119.222 119.300 -0.142 0.000 3.275 231 C HA 0.597 5.058 4.460 0.002 0.000 0.345 231 C C -1.321 173.625 174.990 -0.073 0.000 1.257 231 C CA -0.722 58.241 59.018 -0.091 0.000 1.203 231 C CB 1.270 29.078 27.740 0.114 0.000 1.492 231 C HN 0.487 nan 8.230 nan 0.000 0.484 232 D N 1.215 121.558 120.400 -0.095 0.000 2.443 232 D HA 0.460 5.101 4.640 0.002 0.000 0.281 232 D C -1.738 174.582 176.300 0.034 0.000 1.210 232 D CA -1.561 52.419 54.000 -0.033 0.000 0.875 232 D CB 1.132 41.898 40.800 -0.056 0.000 1.125 232 D HN 0.328 nan 8.370 nan 0.000 0.503 233 P HA -0.140 nan 4.420 nan 0.000 0.216 233 P C 1.371 178.718 177.300 0.078 0.000 1.150 233 P CA 1.039 64.182 63.100 0.072 0.000 0.837 233 P CB 0.156 31.898 31.700 0.070 0.000 0.786 234 S N -1.181 114.563 115.700 0.072 0.000 2.515 234 S HA -0.017 4.454 4.470 0.002 0.000 0.231 234 S C 1.480 176.130 174.600 0.084 0.000 0.987 234 S CA 0.490 58.731 58.200 0.069 0.000 0.936 234 S CB -0.634 62.599 63.200 0.054 0.000 0.766 234 S HN 0.139 nan 8.310 nan 0.000 0.528 235 R N 0.575 121.147 120.500 0.121 0.000 2.596 235 R HA 0.339 4.680 4.340 0.002 0.000 0.369 235 R C -0.715 175.730 176.300 0.241 0.000 1.042 235 R CA -0.201 55.993 56.100 0.157 0.000 1.120 235 R CB 0.820 31.226 30.300 0.177 0.000 1.353 235 R HN 0.229 nan 8.270 nan 0.000 0.564 236 V N 2.382 122.412 119.914 0.193 0.000 2.720 236 V HA -0.065 4.056 4.120 0.002 0.000 0.307 236 V C -0.070 176.153 176.094 0.216 0.000 1.071 236 V CA 0.645 63.069 62.300 0.207 0.000 1.199 236 V CB 0.621 32.534 31.823 0.151 0.000 0.900 236 V HN 0.139 nan 8.190 nan 0.000 0.494 237 L N 6.302 127.686 121.223 0.268 0.000 2.516 237 L HA 0.605 4.946 4.340 0.002 0.000 0.267 237 L C -0.825 176.213 176.870 0.279 0.000 0.957 237 L CA 0.014 55.005 54.840 0.253 0.000 0.860 237 L CB 2.197 44.409 42.059 0.256 0.000 1.265 237 L HN 0.353 nan 8.230 nan 0.000 0.403 238 V N 4.889 124.940 119.914 0.229 0.000 2.305 238 V HA 0.857 4.978 4.120 0.002 0.000 0.275 238 V C 0.180 176.338 176.094 0.105 0.000 1.020 238 V CA -0.143 62.268 62.300 0.186 0.000 0.811 238 V CB 1.011 32.965 31.823 0.219 0.000 1.031 238 V HN 0.921 nan 8.190 nan 0.000 0.439 239 A N 3.699 126.519 122.820 0.001 0.000 2.337 239 A HA 0.892 5.213 4.320 0.002 0.000 0.329 239 A C -0.910 176.455 177.584 -0.365 0.000 1.146 239 A CA -0.502 51.492 52.037 -0.071 0.000 0.800 239 A CB 0.740 19.737 19.000 -0.004 0.000 1.220 239 A HN 0.901 nan 8.150 nan 0.000 0.472 240 H N 0.675 119.691 119.070 -0.091 0.000 2.547 240 H HA 0.560 5.117 4.556 0.002 0.000 0.342 240 H C -1.167 174.064 175.328 -0.162 0.000 1.048 240 H CA -0.402 55.603 56.048 -0.071 0.000 1.204 240 H CB 1.235 31.009 29.762 0.019 0.000 1.493 240 H HN 0.424 nan 8.280 nan 0.000 0.511 241 I N 5.036 125.545 120.570 -0.101 0.000 2.697 241 I HA 0.202 4.373 4.170 0.002 0.000 0.279 241 I C -1.820 174.246 176.117 -0.084 0.000 1.171 241 I CA -1.572 59.637 61.300 -0.153 0.000 1.135 241 I CB 1.349 39.195 38.000 -0.256 0.000 1.445 241 I HN 0.468 nan 8.210 nan 0.000 0.541 242 P HA -0.177 nan 4.420 nan 0.000 0.218 242 P C 1.440 178.694 177.300 -0.076 0.000 1.148 242 P CA 1.384 64.455 63.100 -0.048 0.000 0.822 242 P CB 0.106 31.795 31.700 -0.019 0.000 0.784 243 S N -1.117 114.545 115.700 -0.062 0.000 2.515 243 S HA -0.029 4.442 4.470 0.002 0.000 0.231 243 S C 1.410 175.963 174.600 -0.079 0.000 0.987 243 S CA 0.644 58.806 58.200 -0.063 0.000 0.936 243 S CB -0.615 62.563 63.200 -0.036 0.000 0.766 243 S HN 0.095 nan 8.310 nan 0.000 0.528 244 E N 0.878 121.021 120.200 -0.094 0.000 2.538 244 E HA 0.229 4.580 4.350 0.002 0.000 0.207 244 E C -0.241 176.255 176.600 -0.174 0.000 1.002 244 E CA -0.223 56.109 56.400 -0.113 0.000 0.952 244 E CB 0.119 29.770 29.700 -0.080 0.000 1.031 244 E HN 0.518 nan 8.360 nan 0.000 0.476 245 R N 0.801 121.194 120.500 -0.179 0.000 3.336 245 R HA -0.195 4.146 4.340 0.002 0.000 0.260 245 R C 0.226 176.361 176.300 -0.274 0.000 1.032 245 R CA 0.645 56.602 56.100 -0.238 0.000 0.693 245 R CB -1.742 28.379 30.300 -0.299 0.000 1.134 245 R HN 0.065 nan 8.270 nan 0.000 0.433 246 R N 0.779 121.160 120.500 -0.199 0.000 2.673 246 R HA 0.605 4.946 4.340 0.002 0.000 0.281 246 R C -0.965 175.265 176.300 -0.116 0.000 0.991 246 R CA -0.766 55.228 56.100 -0.177 0.000 0.896 246 R CB 1.415 31.633 30.300 -0.136 0.000 1.201 246 R HN 0.149 nan 8.270 nan 0.000 0.457 247 I N 3.603 124.130 120.570 -0.073 0.000 2.465 247 I HA 0.402 4.573 4.170 0.002 0.000 0.291 247 I C -0.859 175.283 176.117 0.042 0.000 1.014 247 I CA -1.025 60.239 61.300 -0.059 0.000 1.093 247 I CB 2.298 40.290 38.000 -0.013 0.000 1.267 247 I HN 0.221 nan 8.210 nan 0.000 0.431 248 V N 4.434 124.380 119.914 0.054 0.000 2.443 248 V HA 0.474 4.595 4.120 0.002 0.000 0.293 248 V C -0.462 175.816 176.094 0.307 0.000 1.021 248 V CA -0.399 62.023 62.300 0.202 0.000 0.848 248 V CB 1.782 33.765 31.823 0.266 0.000 0.998 248 V HN 0.754 nan 8.190 nan 0.000 0.424 249 S N 5.284 121.252 115.700 0.445 0.000 2.594 249 S HA 0.795 5.266 4.470 0.002 0.000 0.296 249 S C -1.470 173.461 174.600 0.551 0.000 1.124 249 S CA -0.390 58.084 58.200 0.456 0.000 1.011 249 S CB 1.058 64.492 63.200 0.390 0.000 1.016 249 S HN 0.572 nan 8.310 nan 0.000 0.485 250 F N 3.692 123.779 119.950 0.228 0.000 2.547 250 F HA 0.651 5.179 4.527 0.001 0.000 0.316 250 F C 0.860 176.641 175.800 -0.032 0.000 1.121 250 F CA 0.574 58.543 58.000 -0.053 0.000 0.911 250 F CB 1.725 40.570 39.000 -0.258 0.000 1.179 250 F HN 0.880 nan 8.300 nan 0.000 0.443 251 G N 2.760 111.101 108.800 -0.766 0.000 2.176 251 G HA2 -0.170 3.791 3.960 0.002 0.000 0.232 251 G HA3 -0.170 3.791 3.960 0.002 0.000 0.232 251 G C -0.175 174.634 174.900 -0.152 0.000 0.986 251 G CA 0.145 44.923 45.100 -0.536 0.000 0.643 251 G HN 1.053 nan 8.290 nan 0.000 0.522 252 S N -0.785 114.914 115.700 -0.001 0.000 2.526 252 S HA 0.666 5.137 4.470 0.002 0.000 0.293 252 S C 1.014 175.772 174.600 0.263 0.000 1.092 252 S CA 0.704 59.004 58.200 0.168 0.000 0.980 252 S CB 1.621 64.959 63.200 0.229 0.000 1.048 252 S HN 1.343 nan 8.310 nan 0.000 0.483 253 G N 1.962 110.934 108.800 0.287 0.000 3.126 253 G HA2 0.172 4.133 3.960 0.002 0.000 0.224 253 G HA3 0.172 4.133 3.960 0.002 0.000 0.224 253 G C -0.335 174.836 174.900 0.451 0.000 1.142 253 G CA -0.020 45.211 45.100 0.218 0.000 0.759 253 G HN 0.648 nan 8.290 nan 0.000 0.550 254 Y N 1.397 121.919 120.300 0.371 0.000 2.320 254 Y HA 0.437 4.988 4.550 0.002 0.000 0.334 254 Y C 1.481 177.522 175.900 0.235 0.000 1.055 254 Y CA 0.369 58.666 58.100 0.330 0.000 1.143 254 Y CB 1.236 39.826 38.460 0.216 0.000 1.193 254 Y HN 0.321 nan 8.280 nan 0.000 0.477 255 G N 3.731 112.486 108.800 -0.076 0.000 2.686 255 G HA2 -0.452 3.509 3.960 0.002 0.000 0.359 255 G HA3 -0.452 3.509 3.960 0.002 0.000 0.359 255 G C 1.378 176.257 174.900 -0.035 0.000 1.222 255 G CA 0.850 45.898 45.100 -0.086 0.000 0.956 255 G HN 1.310 nan 8.290 nan 0.000 0.565 256 G N -0.054 108.852 108.800 0.177 0.000 2.498 256 G HA2 -0.107 3.854 3.960 0.002 0.000 0.219 256 G HA3 -0.107 3.854 3.960 0.002 0.000 0.219 256 G C 1.516 176.515 174.900 0.165 0.000 1.119 256 G CA 1.484 46.674 45.100 0.151 0.000 0.766 256 G HN 0.581 nan 8.290 nan 0.000 0.552 257 N N 0.507 119.327 118.700 0.199 0.000 2.376 257 N HA -0.052 4.689 4.740 0.002 0.000 0.177 257 N C 2.370 177.953 175.510 0.122 0.000 1.024 257 N CA 1.432 54.601 53.050 0.197 0.000 0.893 257 N CB 0.174 38.805 38.487 0.241 0.000 0.980 257 N HN 0.497 nan 8.380 nan 0.000 0.439 258 S N -0.531 115.175 115.700 0.011 0.000 2.575 258 S HA 0.228 4.699 4.470 0.002 0.000 0.230 258 S C 0.650 175.055 174.600 -0.325 0.000 1.062 258 S CA -0.382 57.663 58.200 -0.258 0.000 0.913 258 S CB 0.009 63.090 63.200 -0.199 0.000 0.837 258 S HN 0.016 nan 8.310 nan 0.000 0.487 259 L N 3.120 124.205 121.223 -0.230 0.000 2.328 259 L HA 0.413 4.754 4.340 0.002 0.000 0.280 259 L C 0.604 177.365 176.870 -0.182 0.000 1.111 259 L CA -0.289 54.381 54.840 -0.283 0.000 0.909 259 L CB 0.555 42.367 42.059 -0.410 0.000 1.277 259 L HN 0.248 nan 8.230 nan 0.000 0.433 260 L N 2.003 123.148 121.223 -0.130 0.000 2.478 260 L HA 0.021 4.362 4.340 0.002 0.000 0.223 260 L C 2.336 179.301 176.870 0.159 0.000 1.140 260 L CA 0.576 55.447 54.840 0.052 0.000 0.842 260 L CB -0.271 41.870 42.059 0.137 0.000 0.953 260 L HN 0.779 nan 8.230 nan 0.000 0.452 261 G N 0.475 109.258 108.800 -0.029 0.000 2.402 261 G HA2 -0.290 3.671 3.960 0.002 0.000 0.216 261 G HA3 -0.290 3.671 3.960 0.002 0.000 0.216 261 G C 1.610 176.522 174.900 0.020 0.000 1.162 261 G CA 0.651 45.767 45.100 0.028 0.000 0.777 261 G HN 0.181 nan 8.290 nan 0.000 0.539 262 K N 0.095 120.450 120.400 -0.075 0.000 2.034 262 K HA -0.136 4.185 4.320 0.002 0.000 0.214 262 K C 2.073 178.653 176.600 -0.033 0.000 1.051 262 K CA 1.680 57.911 56.287 -0.093 0.000 0.931 262 K CB 0.051 32.447 32.500 -0.172 0.000 0.715 262 K HN 0.174 nan 8.250 nan 0.000 0.446 263 K N -2.141 118.280 120.400 0.036 0.000 2.567 263 K HA 0.171 4.492 4.320 0.002 0.000 0.199 263 K C 2.174 178.897 176.600 0.205 0.000 1.412 263 K CA 0.644 56.941 56.287 0.018 0.000 1.020 263 K CB -0.392 32.104 32.500 -0.007 0.000 1.487 263 K HN 0.130 nan 8.250 nan 0.000 0.531 264 C N 1.504 120.990 119.300 0.311 0.000 2.432 264 C HA -0.058 4.403 4.460 0.002 0.000 0.277 264 C C 2.467 177.753 174.990 0.494 0.000 1.249 264 C CA 0.609 59.917 59.018 0.484 0.000 1.725 264 C CB -0.813 27.170 27.740 0.405 0.000 2.028 264 C HN 0.344 nan 8.230 nan 0.000 0.477 265 F N 1.994 122.119 119.950 0.292 0.000 2.123 265 F HA 0.220 4.748 4.527 0.002 0.000 0.289 265 F C 2.423 178.466 175.800 0.405 0.000 1.099 265 F CA 1.087 59.291 58.000 0.340 0.000 1.234 265 F CB -1.308 37.926 39.000 0.390 0.000 1.034 265 F HN 0.130 nan 8.300 nan 0.000 0.479 266 A N 0.517 123.679 122.820 0.570 0.000 1.948 266 A HA -0.161 4.160 4.320 0.002 0.000 0.220 266 A C 2.266 180.201 177.584 0.586 0.000 1.177 266 A CA 2.340 54.697 52.037 0.532 0.000 0.636 266 A CB -0.875 18.224 19.000 0.165 0.000 0.815 266 A HN 0.504 nan 8.150 nan 0.000 0.449 267 L N -3.098 118.332 121.223 0.344 0.000 2.519 267 L HA 0.118 4.459 4.340 0.002 0.000 0.194 267 L C 2.733 179.745 176.870 0.238 0.000 1.072 267 L CA 0.206 55.195 54.840 0.249 0.000 0.845 267 L CB -0.447 41.631 42.059 0.033 0.000 1.138 267 L HN 0.196 nan 8.230 nan 0.000 0.487 268 R N 0.490 121.116 120.500 0.210 0.000 2.061 268 R HA -0.048 4.293 4.340 0.002 0.000 0.230 268 R C 2.195 178.602 176.300 0.178 0.000 1.140 268 R CA 1.151 57.330 56.100 0.131 0.000 0.940 268 R CB -0.257 29.965 30.300 -0.130 0.000 0.839 268 R HN 0.166 nan 8.270 nan 0.000 0.429 269 I N 1.182 121.890 120.570 0.230 0.000 2.179 269 I HA -0.202 3.969 4.170 0.002 0.000 0.242 269 I C 2.596 178.785 176.117 0.120 0.000 1.088 269 I CA 1.407 62.796 61.300 0.147 0.000 1.357 269 I CB -1.401 36.638 38.000 0.064 0.000 1.051 269 I HN 0.182 nan 8.210 nan 0.000 0.409 270 A N 1.097 124.067 122.820 0.251 0.000 1.933 270 A HA -0.201 4.120 4.320 0.002 0.000 0.218 270 A C 2.547 179.996 177.584 -0.225 0.000 1.175 270 A CA 2.245 54.328 52.037 0.077 0.000 0.628 270 A CB -0.809 18.310 19.000 0.198 0.000 0.814 270 A HN 0.573 nan 8.150 nan 0.000 0.444 271 S N -0.097 115.604 115.700 0.002 0.000 2.368 271 S HA -0.231 4.240 4.470 0.002 0.000 0.225 271 S C 2.010 176.591 174.600 -0.032 0.000 1.030 271 S CA 1.524 59.771 58.200 0.080 0.000 0.999 271 S CB -0.384 63.049 63.200 0.388 0.000 0.844 271 S HN 0.495 nan 8.310 nan 0.000 0.459 272 R N 1.362 121.822 120.500 -0.066 0.000 2.075 272 R HA 0.197 4.538 4.340 0.002 0.000 0.232 272 R C 2.356 178.376 176.300 -0.466 0.000 1.126 272 R CA 1.780 57.631 56.100 -0.414 0.000 0.963 272 R CB -0.882 29.302 30.300 -0.194 0.000 0.858 272 R HN 0.553 nan 8.270 nan 0.000 0.435 273 M N -0.369 119.024 119.600 -0.346 0.000 2.080 273 M HA -0.144 4.337 4.480 0.002 0.000 0.260 273 M C 2.269 178.204 176.300 -0.609 0.000 1.068 273 M CA 2.091 57.202 55.300 -0.315 0.000 1.109 273 M CB -0.450 32.092 32.600 -0.097 0.000 1.342 273 M HN 0.313 nan 8.290 nan 0.000 0.405 274 A N -0.331 121.781 122.820 -1.181 0.000 1.917 274 A HA -0.256 4.065 4.320 0.002 0.000 0.219 274 A C 2.096 179.110 177.584 -0.950 0.000 1.182 274 A CA 1.914 52.889 52.037 -1.770 0.000 0.633 274 A CB -0.925 17.093 19.000 -1.636 0.000 0.819 274 A HN 0.602 nan 8.150 nan 0.000 0.448 275 Q N -0.665 118.600 119.800 -0.892 0.000 2.124 275 Q HA -0.221 4.120 4.340 0.002 0.000 0.202 275 Q C 2.079 177.675 176.000 -0.674 0.000 0.977 275 Q CA 1.835 56.967 55.803 -1.120 0.000 0.850 275 Q CB -0.112 27.992 28.738 -1.057 0.000 0.901 275 Q HN 0.848 nan 8.270 nan 0.000 0.429 276 Q N -0.650 118.859 119.800 -0.486 0.000 2.269 276 Q HA -0.074 4.267 4.340 0.002 0.000 0.201 276 Q C 1.215 177.124 176.000 -0.152 0.000 0.946 276 Q CA 0.766 56.404 55.803 -0.275 0.000 0.877 276 Q CB 0.319 28.922 28.738 -0.225 0.000 0.963 276 Q HN 0.424 nan 8.270 nan 0.000 0.472 277 Q N -0.670 119.050 119.800 -0.133 0.000 2.219 277 Q HA 0.197 4.538 4.340 0.002 0.000 0.209 277 Q C 0.206 176.325 176.000 0.198 0.000 0.854 277 Q CA 0.241 56.093 55.803 0.083 0.000 0.960 277 Q CB 1.322 30.236 28.738 0.293 0.000 1.116 277 Q HN 0.420 nan 8.270 nan 0.000 0.500 278 G N 1.604 110.462 108.800 0.096 0.000 2.225 278 G HA2 -0.193 3.768 3.960 0.002 0.000 0.264 278 G HA3 -0.193 3.768 3.960 0.002 0.000 0.264 278 G C -0.406 174.684 174.900 0.317 0.000 1.060 278 G CA 0.458 45.684 45.100 0.210 0.000 0.833 278 G HN 0.380 nan 8.290 nan 0.000 0.498 279 W N -1.639 119.712 121.300 0.085 0.000 3.429 279 W HA 0.821 5.482 4.660 0.002 0.000 0.355 279 W C -1.043 175.516 176.519 0.067 0.000 1.131 279 W CA -1.689 55.670 57.345 0.024 0.000 1.031 279 W CB 0.858 30.295 29.460 -0.038 0.000 1.534 279 W HN 0.168 nan 8.180 nan 0.000 0.605 280 L N 1.553 122.912 121.223 0.227 0.000 2.410 280 L HA 0.693 5.034 4.340 0.002 0.000 0.270 280 L C -0.414 176.596 176.870 0.233 0.000 0.983 280 L CA -0.966 53.917 54.840 0.072 0.000 0.822 280 L CB 1.829 43.867 42.059 -0.036 0.000 1.285 280 L HN 0.568 nan 8.230 nan 0.000 0.409 281 A N 2.820 125.714 122.820 0.123 0.000 2.285 281 A HA 0.801 5.122 4.320 0.002 0.000 0.310 281 A C -0.745 177.125 177.584 0.476 0.000 1.266 281 A CA -0.492 51.721 52.037 0.293 0.000 0.832 281 A CB 0.737 19.717 19.000 -0.033 0.000 1.163 281 A HN 0.601 nan 8.150 nan 0.000 0.499 282 E N 0.694 121.235 120.200 0.569 0.000 2.369 282 E HA 0.215 4.566 4.350 0.002 0.000 0.270 282 E C -1.132 175.758 176.600 0.484 0.000 0.909 282 E CA -0.584 56.150 56.400 0.558 0.000 0.775 282 E CB 1.595 31.675 29.700 0.633 0.000 1.270 282 E HN 0.777 nan 8.360 nan 0.000 0.445 283 H N 2.248 121.502 119.070 0.306 0.000 2.820 283 H HA 0.354 4.911 4.556 0.002 0.000 0.248 283 H C -0.706 174.756 175.328 0.225 0.000 1.714 283 H CA -0.069 56.095 56.048 0.193 0.000 1.334 283 H CB -0.041 29.807 29.762 0.142 0.000 1.693 283 H HN 0.202 nan 8.280 nan 0.000 0.548 284 M N 4.140 123.902 119.600 0.270 0.000 2.386 284 M HA 0.167 4.648 4.480 0.002 0.000 0.293 284 M C -0.897 175.520 176.300 0.194 0.000 1.120 284 M CA -1.289 54.133 55.300 0.203 0.000 0.909 284 M CB 2.673 35.426 32.600 0.256 0.000 1.661 284 M HN 0.285 nan 8.290 nan 0.000 0.452 285 L N 1.185 122.519 121.223 0.184 0.000 2.466 285 L HA 0.711 5.052 4.340 0.002 0.000 0.257 285 L C -0.916 176.079 176.870 0.208 0.000 1.189 285 L CA 0.096 55.055 54.840 0.199 0.000 0.813 285 L CB 0.181 42.365 42.059 0.208 0.000 1.118 285 L HN 0.573 nan 8.230 nan 0.000 0.471 286 I N 2.363 123.062 120.570 0.215 0.000 2.499 286 I HA 0.507 4.678 4.170 0.002 0.000 0.288 286 I C -0.980 175.297 176.117 0.266 0.000 1.048 286 I CA -0.657 60.782 61.300 0.232 0.000 1.062 286 I CB 1.836 39.963 38.000 0.212 0.000 1.238 286 I HN 0.669 nan 8.210 nan 0.000 0.426 287 L N 3.510 124.907 121.223 0.289 0.000 2.350 287 L HA 1.042 5.383 4.340 0.002 0.000 0.260 287 L C -0.186 176.877 176.870 0.322 0.000 1.015 287 L CA -0.534 54.478 54.840 0.287 0.000 0.821 287 L CB 1.580 43.765 42.059 0.209 0.000 1.370 287 L HN 0.500 nan 8.230 nan 0.000 0.416 288 G N 0.737 109.682 108.800 0.241 0.000 2.372 288 G HA2 0.632 4.593 3.960 0.002 0.000 0.323 288 G HA3 0.632 4.593 3.960 0.002 0.000 0.323 288 G C -1.169 173.770 174.900 0.065 0.000 1.152 288 G CA -0.656 44.397 45.100 -0.079 0.000 0.906 288 G HN 0.561 nan 8.290 nan 0.000 0.460 289 V N 1.959 121.919 119.914 0.077 0.000 2.417 289 V HA 0.519 4.640 4.120 0.002 0.000 0.291 289 V C 0.068 176.307 176.094 0.242 0.000 1.024 289 V CA -0.590 61.852 62.300 0.236 0.000 0.861 289 V CB 1.674 33.731 31.823 0.389 0.000 0.985 289 V HN 0.761 nan 8.190 nan 0.000 0.436 290 T N 3.376 118.012 114.554 0.136 0.000 2.779 290 T HA 0.444 4.795 4.350 0.002 0.000 0.280 290 T C 0.249 174.718 174.700 -0.384 0.000 0.987 290 T CA -0.430 61.652 62.100 -0.029 0.000 0.966 290 T CB 1.460 70.325 68.868 -0.005 0.000 0.933 290 T HN 0.867 nan 8.240 nan 0.000 0.442 291 S N 3.208 118.421 115.700 -0.812 0.000 2.645 291 S HA 0.325 4.796 4.470 0.002 0.000 0.266 291 S C -1.856 172.146 174.600 -0.998 0.000 1.258 291 S CA -1.278 55.932 58.200 -1.650 0.000 0.990 291 S CB 0.650 62.915 63.200 -1.558 0.000 0.967 291 S HN 0.293 nan 8.310 nan 0.000 0.556 292 P HA -0.088 nan 4.420 nan 0.000 0.221 292 P C 1.448 178.553 177.300 -0.324 0.000 1.145 292 P CA 1.431 64.210 63.100 -0.535 0.000 0.795 292 P CB -0.189 31.255 31.700 -0.428 0.000 0.775 293 S N -2.168 113.340 115.700 -0.320 0.000 2.522 293 S HA 0.179 4.650 4.470 0.002 0.000 0.227 293 S C 1.749 176.273 174.600 -0.127 0.000 0.986 293 S CA 0.763 58.861 58.200 -0.170 0.000 0.929 293 S CB -1.090 62.038 63.200 -0.120 0.000 0.769 293 S HN 0.282 nan 8.310 nan 0.000 0.529 294 G N 0.859 109.561 108.800 -0.163 0.000 2.194 294 G HA2 -0.279 3.682 3.960 0.002 0.000 0.236 294 G HA3 -0.279 3.682 3.960 0.002 0.000 0.236 294 G C -0.161 174.714 174.900 -0.041 0.000 0.987 294 G CA 0.140 45.184 45.100 -0.093 0.000 0.635 294 G HN 0.746 nan 8.290 nan 0.000 0.520 295 E N 0.822 121.018 120.200 -0.007 0.000 2.344 295 E HA 0.467 4.818 4.350 0.002 0.000 0.270 295 E C 0.114 176.841 176.600 0.212 0.000 1.021 295 E CA -0.216 56.255 56.400 0.118 0.000 0.887 295 E CB 0.341 30.168 29.700 0.212 0.000 0.997 295 E HN 0.337 nan 8.360 nan 0.000 0.429 296 K N 3.893 124.369 120.400 0.128 0.000 2.244 296 K HA 0.350 4.671 4.320 0.002 0.000 0.260 296 K C -1.009 175.586 176.600 -0.007 0.000 0.951 296 K CA -0.786 55.544 56.287 0.073 0.000 0.826 296 K CB 0.912 33.358 32.500 -0.090 0.000 1.108 296 K HN 0.372 nan 8.250 nan 0.000 0.433 297 R N 3.069 123.567 120.500 -0.004 0.000 2.686 297 R HA 0.307 4.648 4.340 0.002 0.000 0.283 297 R C -1.239 174.985 176.300 -0.126 0.000 0.978 297 R CA -0.786 55.249 56.100 -0.108 0.000 0.897 297 R CB 1.147 31.273 30.300 -0.290 0.000 1.192 297 R HN 0.574 nan 8.270 nan 0.000 0.457 298 Y N 1.655 122.010 120.300 0.092 0.000 2.387 298 Y HA 0.537 5.088 4.550 0.002 0.000 0.330 298 Y C 0.698 176.663 175.900 0.108 0.000 1.133 298 Y CA -0.406 57.764 58.100 0.116 0.000 1.152 298 Y CB 1.632 40.154 38.460 0.104 0.000 1.215 298 Y HN 0.248 nan 8.280 nan 0.000 0.466 299 M N 2.261 122.032 119.600 0.284 0.000 2.501 299 M HA 0.746 5.227 4.480 0.002 0.000 0.293 299 M C -1.080 175.342 176.300 0.203 0.000 1.192 299 M CA -0.947 54.474 55.300 0.202 0.000 0.886 299 M CB 2.534 35.224 32.600 0.149 0.000 1.710 299 M HN 0.675 nan 8.290 nan 0.000 0.457 300 A N 1.737 124.654 122.820 0.163 0.000 2.355 300 A HA 1.012 5.333 4.320 0.002 0.000 0.324 300 A C -1.150 176.479 177.584 0.073 0.000 1.117 300 A CA -0.600 51.530 52.037 0.155 0.000 0.785 300 A CB 1.416 20.525 19.000 0.183 0.000 1.254 300 A HN 0.953 nan 8.150 nan 0.000 0.453 301 A N 0.491 123.360 122.820 0.081 0.000 2.459 301 A HA 0.776 5.097 4.320 0.002 0.000 0.296 301 A C -0.414 177.133 177.584 -0.062 0.000 1.039 301 A CA 0.154 52.156 52.037 -0.059 0.000 0.698 301 A CB 1.201 20.250 19.000 0.082 0.000 1.261 301 A HN 2.307 nan 8.150 nan 0.000 0.405 302 A N 1.567 124.241 122.820 -0.243 0.000 2.271 302 A HA 0.795 5.116 4.320 0.002 0.000 0.317 302 A C -1.330 176.031 177.584 -0.371 0.000 1.245 302 A CA -0.244 51.716 52.037 -0.128 0.000 0.857 302 A CB -0.018 19.024 19.000 0.071 0.000 1.175 302 A HN 0.768 nan 8.150 nan 0.000 0.512 303 F N 3.555 123.475 119.950 -0.050 0.000 2.500 303 F HA 0.400 4.928 4.527 0.001 0.000 0.349 303 F C -2.295 173.479 175.800 -0.044 0.000 1.127 303 F CA -2.235 55.737 58.000 -0.047 0.000 0.998 303 F CB 2.212 41.203 39.000 -0.014 0.000 1.237 303 F HN 0.346 nan 8.300 nan 0.000 0.439 304 P HA -0.005 nan 4.420 nan 0.000 0.263 304 P C 0.497 177.858 177.300 0.102 0.000 1.195 304 P CA 0.523 63.685 63.100 0.103 0.000 0.762 304 P CB 0.886 32.617 31.700 0.050 0.000 0.799 305 S N 2.123 117.900 115.700 0.128 0.000 3.521 305 S HA -0.262 4.209 4.470 0.002 0.000 0.362 305 S C 1.074 175.709 174.600 0.057 0.000 1.044 305 S CA 0.754 59.014 58.200 0.100 0.000 1.091 305 S CB -1.263 61.972 63.200 0.060 0.000 0.908 305 S HN 0.699 nan 8.310 nan 0.000 0.473 306 A N -0.254 122.612 122.820 0.076 0.000 2.337 306 A HA 0.329 4.650 4.320 0.002 0.000 0.227 306 A C 0.994 178.598 177.584 0.033 0.000 1.259 306 A CA 0.391 52.448 52.037 0.033 0.000 0.870 306 A CB -0.403 18.607 19.000 0.016 0.000 0.927 306 A HN 0.922 nan 8.150 nan 0.000 0.497 307 C N 0.642 119.987 119.300 0.076 0.000 2.638 307 C HA 0.432 4.893 4.460 0.002 0.000 0.410 307 C C 1.855 176.885 174.990 0.066 0.000 1.404 307 C CA 1.131 60.223 59.018 0.124 0.000 1.651 307 C CB -1.695 26.224 27.740 0.299 0.000 2.495 307 C HN 1.561 nan 8.230 nan 0.000 0.606 308 G N 4.963 113.782 108.800 0.033 0.000 2.179 308 G HA2 -0.224 3.737 3.960 0.002 0.000 0.260 308 G HA3 -0.224 3.737 3.960 0.002 0.000 0.260 308 G C 0.020 174.844 174.900 -0.128 0.000 0.977 308 G CA 0.892 45.948 45.100 -0.074 0.000 0.641 308 G HN 0.724 nan 8.290 nan 0.000 0.533 309 K N -0.084 120.274 120.400 -0.070 0.000 2.245 309 K HA 0.684 5.005 4.320 0.002 0.000 0.234 309 K C 0.631 177.195 176.600 -0.059 0.000 1.021 309 K CA -0.057 56.186 56.287 -0.074 0.000 0.898 309 K CB 0.749 33.215 32.500 -0.057 0.000 1.163 309 K HN 0.083 nan 8.250 nan 0.000 0.459 310 T N 1.413 115.938 114.554 -0.048 0.000 2.908 310 T HA 0.095 4.446 4.350 0.002 0.000 0.301 310 T C -0.386 174.265 174.700 -0.081 0.000 1.019 310 T CA 0.122 62.193 62.100 -0.049 0.000 1.152 310 T CB -0.452 68.410 68.868 -0.010 0.000 0.966 310 T HN 0.748 nan 8.240 nan 0.000 0.540 311 N N 3.475 122.118 118.700 -0.096 0.000 3.157 311 N HA 0.301 5.042 4.740 0.002 0.000 0.291 311 N C 0.890 176.331 175.510 -0.116 0.000 1.515 311 N CA -0.950 52.018 53.050 -0.136 0.000 0.807 311 N CB 0.136 38.563 38.487 -0.100 0.000 1.672 311 N HN 0.394 nan 8.380 nan 0.000 0.592 312 L N -0.627 120.531 121.223 -0.109 0.000 2.081 312 L HA -0.130 4.211 4.340 0.002 0.000 0.212 312 L C 2.216 179.092 176.870 0.010 0.000 1.080 312 L CA 1.997 56.819 54.840 -0.032 0.000 0.754 312 L CB -0.724 41.398 42.059 0.105 0.000 0.893 312 L HN 0.816 nan 8.230 nan 0.000 0.433 313 A N -0.934 121.910 122.820 0.041 0.000 2.121 313 A HA -0.114 4.207 4.320 0.002 0.000 0.218 313 A C 2.021 179.608 177.584 0.004 0.000 1.154 313 A CA 1.263 53.338 52.037 0.063 0.000 0.679 313 A CB -0.241 18.825 19.000 0.109 0.000 0.795 313 A HN 0.440 nan 8.150 nan 0.000 0.458 314 M N -0.976 118.593 119.600 -0.051 0.000 2.405 314 M HA 0.264 4.745 4.480 0.002 0.000 0.292 314 M C 0.554 176.800 176.300 -0.090 0.000 1.111 314 M CA -0.081 55.163 55.300 -0.093 0.000 0.979 314 M CB 0.048 32.559 32.600 -0.148 0.000 1.426 314 M HN 0.577 nan 8.290 nan 0.000 0.509 315 M N 1.647 121.200 119.600 -0.078 0.000 2.239 315 M HA 0.121 4.602 4.480 0.002 0.000 0.348 315 M C -0.662 175.582 176.300 -0.092 0.000 1.239 315 M CA 0.948 56.195 55.300 -0.088 0.000 1.114 315 M CB 0.748 33.287 32.600 -0.102 0.000 1.641 315 M HN -0.066 nan 8.290 nan 0.000 0.453 316 T N 6.802 121.295 114.554 -0.101 0.000 2.738 316 T HA 0.428 4.779 4.350 0.002 0.000 0.298 316 T C -2.416 172.215 174.700 -0.114 0.000 0.962 316 T CA -1.019 61.019 62.100 -0.103 0.000 0.972 316 T CB 0.381 69.187 68.868 -0.104 0.000 0.928 316 T HN 0.537 nan 8.240 nan 0.000 0.474 317 P HA 0.184 nan 4.420 nan 0.000 0.269 317 P C 0.137 177.363 177.300 -0.124 0.000 1.209 317 P CA -0.208 62.836 63.100 -0.093 0.000 0.776 317 P CB 0.506 32.202 31.700 -0.007 0.000 0.876 318 S N 1.057 116.639 115.700 -0.197 0.000 2.614 318 S HA 0.202 4.673 4.470 0.002 0.000 0.230 318 S C 0.417 174.967 174.600 -0.084 0.000 0.952 318 S CA -0.127 57.934 58.200 -0.233 0.000 0.949 318 S CB -0.397 62.432 63.200 -0.619 0.000 0.786 318 S HN 0.345 nan 8.310 nan 0.000 0.478 319 L N 3.171 124.378 121.223 -0.026 0.000 2.298 319 L HA 0.421 4.762 4.340 0.002 0.000 0.284 319 L C -2.618 174.344 176.870 0.154 0.000 1.013 319 L CA -2.401 52.473 54.840 0.056 0.000 0.824 319 L CB 1.620 43.663 42.059 -0.027 0.000 1.221 319 L HN -0.066 nan 8.230 nan 0.000 0.418 320 P HA 0.105 nan 4.420 nan 0.000 0.266 320 P C 0.728 178.117 177.300 0.149 0.000 1.195 320 P CA 0.595 63.757 63.100 0.105 0.000 0.768 320 P CB 0.828 32.568 31.700 0.066 0.000 0.838 321 G N 0.154 108.984 108.800 0.050 0.000 2.336 321 G HA2 -0.219 3.742 3.960 0.002 0.000 0.233 321 G HA3 -0.219 3.742 3.960 0.002 0.000 0.233 321 G C -0.431 174.370 174.900 -0.166 0.000 1.053 321 G CA -0.503 44.550 45.100 -0.079 0.000 0.625 321 G HN 0.409 nan 8.290 nan 0.000 0.511 322 W N 1.711 122.964 121.300 -0.079 0.000 2.316 322 W HA 0.793 5.454 4.660 0.002 0.000 0.321 322 W C 0.919 177.391 176.519 -0.078 0.000 1.203 322 W CA -0.428 56.857 57.345 -0.100 0.000 1.214 322 W CB 0.637 30.033 29.460 -0.107 0.000 1.169 322 W HN 0.157 nan 8.180 nan 0.000 0.561 323 R N 2.719 123.300 120.500 0.136 0.000 2.750 323 R HA 0.614 4.955 4.340 0.002 0.000 0.281 323 R C -1.055 175.299 176.300 0.091 0.000 0.972 323 R CA -1.057 55.083 56.100 0.066 0.000 0.912 323 R CB 2.027 32.365 30.300 0.062 0.000 1.187 323 R HN 0.238 nan 8.270 nan 0.000 0.464 324 I N 2.507 123.063 120.570 -0.022 0.000 2.465 324 I HA 0.346 4.517 4.170 0.002 0.000 0.291 324 I C -0.522 175.507 176.117 -0.147 0.000 1.014 324 I CA -0.698 60.605 61.300 0.006 0.000 1.093 324 I CB 1.664 39.662 38.000 -0.003 0.000 1.267 324 I HN 0.637 nan 8.210 nan 0.000 0.431 325 H N 2.933 122.047 119.070 0.073 0.000 2.679 325 H HA 0.399 4.956 4.556 0.002 0.000 0.367 325 H C -0.592 174.814 175.328 0.131 0.000 1.162 325 H CA -0.290 55.814 56.048 0.092 0.000 1.181 325 H CB 2.144 31.974 29.762 0.114 0.000 1.693 325 H HN 0.642 nan 8.280 nan 0.000 0.538 326 C N 3.599 123.041 119.300 0.236 0.000 2.307 326 C HA 0.350 4.811 4.460 0.002 0.000 0.340 326 C C 1.370 176.527 174.990 0.280 0.000 1.275 326 C CA -0.222 58.925 59.018 0.214 0.000 1.811 326 C CB -1.102 26.723 27.740 0.142 0.000 2.372 326 C HN 0.742 nan 8.230 nan 0.000 0.531 327 V N 5.390 125.491 119.914 0.310 0.000 2.492 327 V HA 0.366 4.487 4.120 0.002 0.000 0.241 327 V C 1.441 177.714 176.094 0.297 0.000 1.041 327 V CA 1.485 63.988 62.300 0.338 0.000 1.057 327 V CB -0.341 31.655 31.823 0.289 0.000 0.711 327 V HN 1.052 nan 8.190 nan 0.000 0.468 328 G N -0.103 108.849 108.800 0.253 0.000 2.704 328 G HA2 0.492 4.453 3.960 0.002 0.000 0.293 328 G HA3 0.492 4.453 3.960 0.002 0.000 0.293 328 G C -1.127 173.927 174.900 0.256 0.000 1.421 328 G CA 0.376 45.615 45.100 0.233 0.000 0.870 328 G HN 0.163 nan 8.290 nan 0.000 0.492 329 D N -1.065 119.517 120.400 0.303 0.000 2.501 329 D HA 0.217 4.858 4.640 0.002 0.000 0.224 329 D C 0.217 176.631 176.300 0.191 0.000 1.202 329 D CA -0.010 54.133 54.000 0.238 0.000 0.829 329 D CB 1.263 42.192 40.800 0.215 0.000 1.023 329 D HN 0.327 nan 8.370 nan 0.000 0.499 330 D N -0.815 119.695 120.400 0.183 0.000 2.181 330 D HA 0.155 4.796 4.640 0.002 0.000 0.282 330 D C -0.426 176.008 176.300 0.223 0.000 1.244 330 D CA 0.175 54.284 54.000 0.182 0.000 1.190 330 D CB 0.784 41.692 40.800 0.181 0.000 1.845 330 D HN -0.025 nan 8.370 nan 0.000 0.485 331 I N 1.813 122.479 120.570 0.160 0.000 2.509 331 I HA 0.729 4.900 4.170 0.002 0.000 0.293 331 I C -0.537 175.671 176.117 0.151 0.000 1.020 331 I CA -1.088 60.311 61.300 0.164 0.000 1.088 331 I CB 1.196 39.217 38.000 0.034 0.000 1.267 331 I HN 0.126 nan 8.210 nan 0.000 0.430 332 A N 5.946 128.935 122.820 0.283 0.000 2.356 332 A HA 0.739 5.060 4.320 0.002 0.000 0.310 332 A C -1.958 175.963 177.584 0.562 0.000 1.075 332 A CA -0.434 51.789 52.037 0.309 0.000 0.746 332 A CB 1.048 20.226 19.000 0.297 0.000 1.221 332 A HN 0.585 nan 8.150 nan 0.000 0.443 333 W N 2.137 123.559 121.300 0.204 0.000 2.417 333 W HA 0.713 5.374 4.660 0.001 0.000 0.315 333 W C -0.379 176.245 176.519 0.175 0.000 1.045 333 W CA -1.067 56.445 57.345 0.278 0.000 1.221 333 W CB 1.380 30.956 29.460 0.193 0.000 1.309 333 W HN 0.527 nan 8.180 nan 0.000 0.453 334 M N 3.511 123.360 119.600 0.416 0.000 2.393 334 M HA 0.454 4.935 4.480 0.002 0.000 0.299 334 M C -0.548 175.821 176.300 0.115 0.000 1.103 334 M CA -0.821 54.584 55.300 0.175 0.000 0.910 334 M CB 3.064 35.724 32.600 0.099 0.000 1.659 334 M HN 0.256 nan 8.290 nan 0.000 0.445 335 K N 2.097 122.483 120.400 -0.023 0.000 2.535 335 K HA 0.529 4.850 4.320 0.002 0.000 0.251 335 K C -1.707 174.841 176.600 -0.088 0.000 0.942 335 K CA -0.547 55.732 56.287 -0.013 0.000 0.798 335 K CB 1.854 34.352 32.500 -0.003 0.000 1.267 335 K HN 0.456 nan 8.250 nan 0.000 0.434 336 F N 3.310 123.274 119.950 0.023 0.000 2.538 336 F HA 0.027 4.555 4.527 0.002 0.000 0.371 336 F C 1.140 176.934 175.800 -0.010 0.000 1.087 336 F CA 0.432 58.429 58.000 -0.006 0.000 1.250 336 F CB 0.409 39.388 39.000 -0.035 0.000 1.110 336 F HN 0.605 nan 8.300 nan 0.000 0.570 337 D N 0.873 121.380 120.400 0.179 0.000 2.506 337 D HA 0.101 4.742 4.640 0.002 0.000 0.272 337 D C 0.593 176.940 176.300 0.077 0.000 1.214 337 D CA -0.466 53.587 54.000 0.088 0.000 1.067 337 D CB 0.299 41.127 40.800 0.047 0.000 1.117 337 D HN 0.334 nan 8.370 nan 0.000 0.578 338 D N -0.965 119.459 120.400 0.039 0.000 2.228 338 D HA -0.125 4.516 4.640 0.002 0.000 0.203 338 D C 1.081 177.392 176.300 0.019 0.000 0.988 338 D CA 1.172 55.184 54.000 0.021 0.000 0.864 338 D CB -0.032 40.774 40.800 0.010 0.000 0.928 338 D HN 0.448 nan 8.370 nan 0.000 0.469 339 E N -1.152 119.067 120.200 0.031 0.000 2.479 339 E HA 0.280 4.631 4.350 0.002 0.000 0.193 339 E C 1.364 177.984 176.600 0.034 0.000 1.049 339 E CA 0.455 56.870 56.400 0.026 0.000 0.870 339 E CB 0.392 30.109 29.700 0.029 0.000 0.944 339 E HN 0.224 nan 8.360 nan 0.000 0.492 340 G N 1.130 109.964 108.800 0.057 0.000 2.157 340 G HA2 -0.330 3.631 3.960 0.002 0.000 0.248 340 G HA3 -0.330 3.631 3.960 0.002 0.000 0.248 340 G C 0.132 175.173 174.900 0.235 0.000 0.979 340 G CA -0.082 45.048 45.100 0.050 0.000 0.650 340 G HN 0.173 nan 8.290 nan 0.000 0.529 341 R N -0.479 120.156 120.500 0.225 0.000 2.410 341 R HA 0.490 4.831 4.340 0.002 0.000 0.288 341 R C -0.088 176.334 176.300 0.205 0.000 1.051 341 R CA -0.824 55.408 56.100 0.219 0.000 1.021 341 R CB 1.221 31.586 30.300 0.109 0.000 1.032 341 R HN 0.169 nan 8.270 nan 0.000 0.481 342 L N 4.467 125.719 121.223 0.048 0.000 2.363 342 L HA 0.132 4.473 4.340 0.002 0.000 0.286 342 L C -0.135 176.652 176.870 -0.139 0.000 1.106 342 L CA 0.306 54.945 54.840 -0.335 0.000 0.859 342 L CB 0.073 41.845 42.059 -0.479 0.000 1.223 342 L HN 0.323 nan 8.230 nan 0.000 0.446 343 R N 4.312 124.743 120.500 -0.116 0.000 2.349 343 R HA 0.705 5.046 4.340 0.002 0.000 0.299 343 R C -0.560 175.712 176.300 -0.046 0.000 1.027 343 R CA -0.345 55.715 56.100 -0.067 0.000 0.958 343 R CB 1.371 31.640 30.300 -0.052 0.000 1.047 343 R HN 0.695 nan 8.270 nan 0.000 0.468 344 A N 4.116 126.916 122.820 -0.034 0.000 2.355 344 A HA 0.691 5.012 4.320 0.002 0.000 0.317 344 A C -0.107 177.479 177.584 0.003 0.000 1.094 344 A CA -0.865 51.189 52.037 0.029 0.000 0.764 344 A CB 0.925 19.964 19.000 0.065 0.000 1.230 344 A HN 0.782 nan 8.150 nan 0.000 0.448 345 I N -0.481 120.119 120.570 0.049 0.000 2.693 345 I HA 0.594 4.765 4.170 0.002 0.000 0.303 345 I C -0.383 175.735 176.117 0.002 0.000 1.025 345 I CA -0.986 60.312 61.300 -0.003 0.000 1.086 345 I CB 2.069 40.043 38.000 -0.044 0.000 1.268 345 I HN 0.495 nan 8.210 nan 0.000 0.440 346 N N 6.086 124.778 118.700 -0.014 0.000 2.401 346 N HA 0.327 5.068 4.740 0.002 0.000 0.255 346 N C -1.845 173.550 175.510 -0.193 0.000 1.110 346 N CA -2.501 50.526 53.050 -0.038 0.000 0.949 346 N CB 0.852 39.403 38.487 0.106 0.000 1.110 346 N HN 0.481 nan 8.380 nan 0.000 0.490 347 P HA 0.074 nan 4.420 nan 0.000 0.253 347 P C -0.680 176.351 177.300 -0.448 0.000 1.260 347 P CA 0.522 63.209 63.100 -0.688 0.000 0.800 347 P CB 0.347 31.053 31.700 -1.655 0.000 1.162 348 E N -0.320 119.726 120.200 -0.258 0.000 2.249 348 E HA 0.401 4.752 4.350 0.002 0.000 0.263 348 E C 0.318 176.883 176.600 -0.058 0.000 0.950 348 E CA -0.849 55.446 56.400 -0.174 0.000 0.827 348 E CB 1.899 31.497 29.700 -0.170 0.000 1.220 348 E HN -0.155 nan 8.360 nan 0.000 0.411 349 R N -0.104 120.353 120.500 -0.072 0.000 2.476 349 R HA 0.230 4.571 4.340 0.002 0.000 0.276 349 R C -0.115 176.097 176.300 -0.147 0.000 0.941 349 R CA 0.069 56.188 56.100 0.031 0.000 1.088 349 R CB 0.886 31.201 30.300 0.026 0.000 1.216 349 R HN 0.541 nan 8.270 nan 0.000 0.533 350 G N -0.637 107.989 108.800 -0.291 0.000 2.708 350 G HA2 0.465 4.426 3.960 0.002 0.000 0.289 350 G HA3 0.465 4.426 3.960 0.002 0.000 0.289 350 G C -1.585 173.039 174.900 -0.460 0.000 1.416 350 G CA -0.609 44.275 45.100 -0.360 0.000 0.829 350 G HN -0.016 nan 8.290 nan 0.000 0.480 351 F N -0.124 119.843 119.950 0.029 0.000 2.443 351 F HA 0.600 5.128 4.527 0.002 0.000 0.335 351 F C -0.468 175.402 175.800 0.118 0.000 1.104 351 F CA -1.062 56.984 58.000 0.077 0.000 1.013 351 F CB 2.174 41.256 39.000 0.137 0.000 1.136 351 F HN 0.272 nan 8.300 nan 0.000 0.470 352 F N 2.786 122.756 119.950 0.034 0.000 2.449 352 F HA 0.655 5.183 4.527 0.002 0.000 0.344 352 F C 0.129 175.717 175.800 -0.352 0.000 1.180 352 F CA -0.980 56.924 58.000 -0.161 0.000 1.209 352 F CB 0.151 39.077 39.000 -0.124 0.000 1.440 352 F HN 0.443 nan 8.300 nan 0.000 0.526 353 G N 2.294 110.462 108.800 -1.053 0.000 2.389 353 G HA2 0.485 4.446 3.960 0.002 0.000 0.317 353 G HA3 0.485 4.446 3.960 0.002 0.000 0.317 353 G C -0.967 173.124 174.900 -1.348 0.000 1.137 353 G CA -0.675 43.663 45.100 -1.270 0.000 0.870 353 G HN 0.236 nan 8.290 nan 0.000 0.496 354 V N 1.662 121.127 119.914 -0.747 0.000 2.529 354 V HA 0.245 4.365 4.120 0.002 0.000 0.292 354 V C 1.430 177.197 176.094 -0.545 0.000 1.028 354 V CA 0.712 62.680 62.300 -0.555 0.000 1.074 354 V CB 0.790 32.419 31.823 -0.323 0.000 0.958 354 V HN 0.982 nan 8.190 nan 0.000 0.481 355 A N 7.583 130.051 122.820 -0.587 0.000 1.878 355 A HA 0.222 4.543 4.320 0.002 0.000 0.213 355 A C -1.391 175.507 177.584 -1.143 0.000 1.192 355 A CA 0.458 51.977 52.037 -0.862 0.000 0.619 355 A CB -0.982 17.438 19.000 -0.966 0.000 0.837 355 A HN 0.719 nan 8.150 nan 0.000 0.446 356 P HA 0.276 nan 4.420 nan 0.000 0.266 356 P C 0.871 178.027 177.300 -0.239 0.000 1.195 356 P CA 1.843 64.686 63.100 -0.428 0.000 0.768 356 P CB 0.570 32.136 31.700 -0.224 0.000 0.838 357 G N 1.539 110.334 108.800 -0.008 0.000 2.268 357 G HA2 -0.233 3.728 3.960 0.002 0.000 0.240 357 G HA3 -0.233 3.728 3.960 0.002 0.000 0.240 357 G C 0.282 175.242 174.900 0.100 0.000 1.010 357 G CA 0.117 45.244 45.100 0.046 0.000 0.618 357 G HN 0.603 nan 8.290 nan 0.000 0.516 358 T N 2.119 116.735 114.554 0.103 0.000 2.829 358 T HA 0.511 4.862 4.350 0.002 0.000 0.293 358 T C 0.517 175.425 174.700 0.345 0.000 0.970 358 T CA 1.046 63.266 62.100 0.200 0.000 1.168 358 T CB 1.122 70.076 68.868 0.145 0.000 0.911 358 T HN 1.546 nan 8.240 nan 0.000 0.535 359 S N 0.994 116.784 115.700 0.151 0.000 2.671 359 S HA 0.480 4.951 4.470 0.002 0.000 0.277 359 S C 1.404 176.015 174.600 0.018 0.000 1.165 359 S CA -0.219 58.032 58.200 0.085 0.000 0.822 359 S CB 1.196 64.425 63.200 0.049 0.000 1.150 359 S HN 0.569 nan 8.310 nan 0.000 0.479 360 S N 0.510 116.205 115.700 -0.009 0.000 2.419 360 S HA -0.085 4.386 4.470 0.002 0.000 0.233 360 S C 1.646 176.213 174.600 -0.055 0.000 1.016 360 S CA 0.785 58.964 58.200 -0.035 0.000 0.974 360 S CB -0.560 62.619 63.200 -0.035 0.000 0.786 360 S HN 0.686 nan 8.310 nan 0.000 0.492 361 R N 0.701 121.164 120.500 -0.061 0.000 2.080 361 R HA -0.003 4.338 4.340 0.002 0.000 0.222 361 R C 2.740 178.961 176.300 -0.131 0.000 1.107 361 R CA 1.690 57.727 56.100 -0.104 0.000 0.980 361 R CB -0.571 29.661 30.300 -0.113 0.000 0.879 361 R HN 0.759 nan 8.270 nan 0.000 0.439 362 T N -2.435 112.066 114.554 -0.088 0.000 3.054 362 T HA 0.028 4.379 4.350 0.002 0.000 0.259 362 T C 0.825 175.508 174.700 -0.028 0.000 1.092 362 T CA 0.563 62.624 62.100 -0.066 0.000 1.121 362 T CB 0.200 69.064 68.868 -0.006 0.000 0.912 362 T HN -0.036 nan 8.240 nan 0.000 0.489 363 N N 1.114 119.792 118.700 -0.036 0.000 2.805 363 N HA 0.249 4.990 4.740 0.002 0.000 0.216 363 N C -2.549 172.921 175.510 -0.068 0.000 1.447 363 N CA -1.337 51.684 53.050 -0.049 0.000 0.785 363 N CB 1.524 39.991 38.487 -0.033 0.000 1.458 363 N HN 0.068 nan 8.380 nan 0.000 0.547 364 P HA -0.077 nan 4.420 nan 0.000 0.218 364 P C 0.850 178.094 177.300 -0.093 0.000 1.149 364 P CA 1.024 64.079 63.100 -0.075 0.000 0.817 364 P CB 0.598 32.254 31.700 -0.073 0.000 0.785 365 N N 0.307 118.942 118.700 -0.109 0.000 2.188 365 N HA -0.080 4.661 4.740 0.002 0.000 0.184 365 N C 1.921 177.325 175.510 -0.176 0.000 1.018 365 N CA 1.432 54.404 53.050 -0.131 0.000 0.858 365 N CB -0.705 37.700 38.487 -0.137 0.000 0.989 365 N HN 0.119 nan 8.380 nan 0.000 0.426 366 A N 1.617 124.315 122.820 -0.203 0.000 1.930 366 A HA -0.059 4.262 4.320 0.002 0.000 0.217 366 A C 2.267 179.677 177.584 -0.290 0.000 1.175 366 A CA 1.018 52.879 52.037 -0.293 0.000 0.627 366 A CB -0.294 18.547 19.000 -0.264 0.000 0.815 366 A HN 0.092 nan 8.150 nan 0.000 0.443 367 M N -0.269 119.226 119.600 -0.175 0.000 2.108 367 M HA -0.165 4.316 4.480 0.002 0.000 0.261 367 M C 2.516 178.742 176.300 -0.122 0.000 1.066 367 M CA 1.705 56.931 55.300 -0.123 0.000 1.107 367 M CB -1.424 31.138 32.600 -0.063 0.000 1.356 367 M HN 0.495 nan 8.290 nan 0.000 0.406 368 A N -0.024 122.731 122.820 -0.109 0.000 1.933 368 A HA -0.129 4.192 4.320 0.002 0.000 0.218 368 A C 2.298 179.826 177.584 -0.093 0.000 1.175 368 A CA 2.196 54.183 52.037 -0.084 0.000 0.628 368 A CB -1.075 17.885 19.000 -0.068 0.000 0.814 368 A HN 0.506 nan 8.150 nan 0.000 0.444 369 T N 0.774 115.249 114.554 -0.132 0.000 2.777 369 T HA -0.094 4.257 4.350 0.002 0.000 0.266 369 T C 1.632 176.253 174.700 -0.133 0.000 1.040 369 T CA 1.513 63.545 62.100 -0.113 0.000 1.141 369 T CB -0.493 68.297 68.868 -0.130 0.000 0.868 369 T HN 0.740 nan 8.240 nan 0.000 0.444 370 I N -0.750 119.689 120.570 -0.219 0.000 3.812 370 I HA 0.498 4.669 4.170 0.002 0.000 0.320 370 I C 2.149 178.200 176.117 -0.110 0.000 1.276 370 I CA -0.126 61.040 61.300 -0.222 0.000 1.164 370 I CB -0.348 37.409 38.000 -0.405 0.000 1.009 370 I HN 0.034 nan 8.210 nan 0.000 0.431 371 A N 2.521 125.275 122.820 -0.111 0.000 2.066 371 A HA 0.019 4.340 4.320 0.002 0.000 0.218 371 A C 1.296 178.866 177.584 -0.024 0.000 1.157 371 A CA 0.694 52.664 52.037 -0.112 0.000 0.670 371 A CB -0.159 18.808 19.000 -0.055 0.000 0.804 371 A HN 0.744 nan 8.150 nan 0.000 0.453 372 R N -2.825 117.680 120.500 0.008 0.000 2.740 372 R HA 0.421 4.762 4.340 0.002 0.000 0.273 372 R C -0.929 175.412 176.300 0.067 0.000 0.998 372 R CA -0.527 55.611 56.100 0.064 0.000 0.900 372 R CB 0.509 30.847 30.300 0.064 0.000 1.223 372 R HN -0.000 nan 8.270 nan 0.000 0.466 373 N N -0.300 118.470 118.700 0.118 0.000 2.725 373 N HA -0.138 4.603 4.740 0.002 0.000 0.249 373 N C -1.232 174.333 175.510 0.092 0.000 1.103 373 N CA 1.709 54.837 53.050 0.129 0.000 0.707 373 N CB -1.101 37.438 38.487 0.087 0.000 1.043 373 N HN 0.752 nan 8.380 nan 0.000 0.553 374 T N 1.012 115.614 114.554 0.080 0.000 2.829 374 T HA 0.566 4.917 4.350 0.002 0.000 0.280 374 T C 0.437 175.116 174.700 -0.035 0.000 0.999 374 T CA -0.586 61.465 62.100 -0.081 0.000 0.983 374 T CB 1.815 70.499 68.868 -0.307 0.000 0.968 374 T HN -0.023 nan 8.240 nan 0.000 0.446 375 I N 3.574 124.101 120.570 -0.072 0.000 2.321 375 I HA 0.428 4.599 4.170 0.002 0.000 0.291 375 I C -0.513 175.572 176.117 -0.053 0.000 0.998 375 I CA -0.915 60.432 61.300 0.078 0.000 1.227 375 I CB 0.362 38.399 38.000 0.063 0.000 1.368 375 I HN 0.554 nan 8.210 nan 0.000 0.466 376 F N 3.620 123.744 119.950 0.289 0.000 2.450 376 F HA 0.494 5.022 4.527 0.002 0.000 0.332 376 F C 0.634 176.585 175.800 0.252 0.000 1.093 376 F CA -0.429 57.725 58.000 0.257 0.000 1.003 376 F CB 1.915 41.089 39.000 0.291 0.000 1.151 376 F HN 0.273 nan 8.300 nan 0.000 0.474 377 T N 3.000 117.759 114.554 0.342 0.000 2.809 377 T HA 0.258 4.609 4.350 0.002 0.000 0.284 377 T C -0.350 174.450 174.700 0.167 0.000 0.992 377 T CA -0.806 61.441 62.100 0.246 0.000 0.957 377 T CB 0.853 69.827 68.868 0.177 0.000 0.942 377 T HN 0.616 nan 8.240 nan 0.000 0.439 378 N N 0.219 119.022 118.700 0.172 0.000 2.776 378 N HA -0.137 4.604 4.740 0.002 0.000 0.250 378 N C 0.093 175.674 175.510 0.119 0.000 1.112 378 N CA 1.097 54.230 53.050 0.138 0.000 0.733 378 N CB -1.859 36.561 38.487 -0.112 0.000 1.097 378 N HN 0.681 nan 8.380 nan 0.000 0.558 379 V N -2.983 117.051 119.914 0.200 0.000 3.336 379 V HA 0.970 5.091 4.120 0.002 0.000 0.314 379 V C 1.273 177.478 176.094 0.185 0.000 1.088 379 V CA -0.102 62.319 62.300 0.201 0.000 1.033 379 V CB 1.283 33.307 31.823 0.335 0.000 1.181 379 V HN 0.141 nan 8.190 nan 0.000 0.449 380 G N -0.038 108.836 108.800 0.123 0.000 2.476 380 G HA2 0.553 4.514 3.960 0.002 0.000 0.286 380 G HA3 0.553 4.514 3.960 0.002 0.000 0.286 380 G C -1.123 173.848 174.900 0.117 0.000 1.177 380 G CA -0.521 44.633 45.100 0.091 0.000 0.870 380 G HN 1.025 nan 8.290 nan 0.000 0.528 381 L N 0.559 121.853 121.223 0.119 0.000 2.333 381 L HA 0.581 4.922 4.340 0.002 0.000 0.280 381 L C 0.295 177.230 176.870 0.107 0.000 1.004 381 L CA -0.779 54.111 54.840 0.084 0.000 0.820 381 L CB 1.367 43.441 42.059 0.026 0.000 1.247 381 L HN 0.541 nan 8.230 nan 0.000 0.416 382 R N 2.285 122.821 120.500 0.059 0.000 2.500 382 R HA 0.336 4.677 4.340 0.002 0.000 0.277 382 R C 1.152 177.394 176.300 -0.096 0.000 1.026 382 R CA 0.185 56.266 56.100 -0.031 0.000 1.058 382 R CB 1.154 31.427 30.300 -0.045 0.000 1.078 382 R HN 0.835 nan 8.270 nan 0.000 0.509 383 S N 0.085 115.692 115.700 -0.154 0.000 2.500 383 S HA -0.144 4.327 4.470 0.002 0.000 0.239 383 S C 0.993 175.521 174.600 -0.121 0.000 0.989 383 S CA 1.278 59.403 58.200 -0.125 0.000 0.951 383 S CB -0.204 62.912 63.200 -0.139 0.000 0.759 383 S HN 0.764 nan 8.310 nan 0.000 0.523 384 D N 0.253 120.568 120.400 -0.141 0.000 2.328 384 D HA 0.240 4.881 4.640 0.002 0.000 0.221 384 D C 1.301 177.497 176.300 -0.173 0.000 1.072 384 D CA 0.477 54.392 54.000 -0.141 0.000 0.850 384 D CB -0.528 40.188 40.800 -0.140 0.000 0.922 384 D HN 0.542 nan 8.370 nan 0.000 0.516 385 G N -0.780 107.920 108.800 -0.166 0.000 2.141 385 G HA2 -0.128 3.833 3.960 0.002 0.000 0.242 385 G HA3 -0.128 3.833 3.960 0.002 0.000 0.242 385 G C 0.553 175.263 174.900 -0.316 0.000 0.982 385 G CA 0.005 44.985 45.100 -0.201 0.000 0.662 385 G HN 0.804 nan 8.290 nan 0.000 0.527 386 G N -1.356 107.271 108.800 -0.288 0.000 2.753 386 G HA2 0.890 4.851 3.960 0.002 0.000 0.285 386 G HA3 0.890 4.851 3.960 0.002 0.000 0.285 386 G C 0.215 175.101 174.900 -0.025 0.000 1.344 386 G CA 0.213 45.137 45.100 -0.294 0.000 1.050 386 G HN 1.467 nan 8.290 nan 0.000 0.532 387 V N -2.865 117.078 119.914 0.049 0.000 2.975 387 V HA 0.817 4.938 4.120 0.002 0.000 0.318 387 V C -1.013 175.002 176.094 -0.131 0.000 1.077 387 V CA -1.196 61.041 62.300 -0.105 0.000 1.000 387 V CB 1.608 33.187 31.823 -0.406 0.000 1.066 387 V HN 0.728 nan 8.190 nan 0.000 0.452 388 Y N 2.436 122.584 120.300 -0.254 0.000 2.504 388 Y HA 0.766 5.317 4.550 0.002 0.000 0.344 388 Y C -1.374 174.362 175.900 -0.273 0.000 1.023 388 Y CA -1.214 56.655 58.100 -0.385 0.000 1.020 388 Y CB 2.086 40.393 38.460 -0.254 0.000 1.282 388 Y HN 1.068 nan 8.280 nan 0.000 0.454 389 W N 3.280 123.893 121.300 -1.146 0.000 3.075 389 W HA 0.505 5.166 4.660 0.002 0.000 0.334 389 W C -1.460 174.394 176.519 -1.109 0.000 1.243 389 W CA -1.420 55.368 57.345 -0.927 0.000 1.170 389 W CB 0.307 29.508 29.460 -0.432 0.000 1.452 389 W HN 0.556 nan 8.180 nan 0.000 0.572 390 D N 0.697 120.914 120.400 -0.305 0.000 2.520 390 D HA 0.335 4.976 4.640 0.002 0.000 0.243 390 D C 1.331 177.647 176.300 0.027 0.000 1.160 390 D CA 3.183 57.120 54.000 -0.105 0.000 0.877 390 D CB 0.524 41.331 40.800 0.012 0.000 1.150 390 D HN 1.146 nan 8.370 nan 0.000 0.494 391 G N 2.763 111.577 108.800 0.023 0.000 2.258 391 G HA2 -0.275 3.686 3.960 0.002 0.000 0.233 391 G HA3 -0.275 3.686 3.960 0.002 0.000 0.233 391 G C 0.312 175.223 174.900 0.019 0.000 1.006 391 G CA 0.049 45.190 45.100 0.069 0.000 0.620 391 G HN 0.655 nan 8.290 nan 0.000 0.511 392 L N 2.592 123.699 121.223 -0.193 0.000 2.559 392 L HA 0.477 4.818 4.340 0.002 0.000 0.274 392 L C 0.861 177.682 176.870 -0.082 0.000 1.205 392 L CA 0.875 55.524 54.840 -0.318 0.000 0.907 392 L CB 0.665 42.120 42.059 -1.006 0.000 1.153 392 L HN 0.353 nan 8.230 nan 0.000 0.490 393 D N 2.792 123.164 120.400 -0.046 0.000 2.593 393 D HA 0.029 4.670 4.640 0.002 0.000 0.241 393 D C 0.207 176.504 176.300 -0.005 0.000 1.257 393 D CA -0.306 53.695 54.000 0.002 0.000 0.828 393 D CB -0.193 40.608 40.800 0.001 0.000 1.049 393 D HN 0.637 nan 8.370 nan 0.000 0.490 394 E N 1.714 121.900 120.200 -0.023 0.000 2.366 394 E HA 0.164 4.515 4.350 0.002 0.000 0.266 394 E C -1.994 174.616 176.600 0.017 0.000 1.015 394 E CA -1.484 54.913 56.400 -0.006 0.000 0.906 394 E CB 0.665 30.357 29.700 -0.012 0.000 0.979 394 E HN 0.004 nan 8.360 nan 0.000 0.443 395 P HA 0.086 nan 4.420 nan 0.000 0.271 395 P C -0.859 176.440 177.300 -0.001 0.000 1.218 395 P CA -0.195 62.908 63.100 0.004 0.000 0.780 395 P CB 1.274 32.971 31.700 -0.004 0.000 0.901 396 T N -0.619 113.928 114.554 -0.011 0.000 2.843 396 T HA 0.327 4.678 4.350 0.002 0.000 0.302 396 T C -1.209 173.465 174.700 -0.043 0.000 1.232 396 T CA -0.874 61.208 62.100 -0.030 0.000 1.009 396 T CB 0.857 69.705 68.868 -0.034 0.000 1.254 396 T HN 0.500 nan 8.240 nan 0.000 0.504 397 E N 2.880 123.046 120.200 -0.057 0.000 2.404 397 E HA 0.348 4.699 4.350 0.002 0.000 0.261 397 E C -2.272 174.289 176.600 -0.065 0.000 1.074 397 E CA -1.499 54.866 56.400 -0.059 0.000 0.917 397 E CB -0.084 29.577 29.700 -0.065 0.000 0.965 397 E HN 0.281 nan 8.360 nan 0.000 0.433 398 P HA 0.034 nan 4.420 nan 0.000 0.270 398 P C 0.639 177.894 177.300 -0.075 0.000 1.223 398 P CA 0.667 63.731 63.100 -0.061 0.000 0.785 398 P CB 0.512 32.182 31.700 -0.050 0.000 0.923 399 G N -0.015 108.736 108.800 -0.082 0.000 2.143 399 G HA2 -0.199 3.762 3.960 0.002 0.000 0.249 399 G HA3 -0.199 3.762 3.960 0.002 0.000 0.249 399 G C -0.002 174.820 174.900 -0.131 0.000 0.981 399 G CA -0.115 44.930 45.100 -0.090 0.000 0.665 399 G HN 0.527 nan 8.290 nan 0.000 0.528 400 V N 2.047 121.858 119.914 -0.171 0.000 2.572 400 V HA 0.526 4.647 4.120 0.002 0.000 0.291 400 V C 1.192 177.025 176.094 -0.434 0.000 1.039 400 V CA 0.786 62.920 62.300 -0.275 0.000 1.055 400 V CB 0.959 32.610 31.823 -0.286 0.000 0.969 400 V HN 0.760 nan 8.190 nan 0.000 0.482 401 T N 2.622 116.917 114.554 -0.431 0.000 2.949 401 T HA 0.753 5.104 4.350 0.002 0.000 0.287 401 T C -0.979 173.405 174.700 -0.528 0.000 1.034 401 T CA -0.716 61.129 62.100 -0.427 0.000 1.018 401 T CB 1.509 70.281 68.868 -0.160 0.000 1.135 401 T HN 0.338 nan 8.240 nan 0.000 0.532 402 Y N -0.871 119.462 120.300 0.056 0.000 2.536 402 Y HA 0.604 5.155 4.550 0.002 0.000 0.347 402 Y C 0.320 176.284 175.900 0.106 0.000 1.000 402 Y CA -1.063 57.088 58.100 0.085 0.000 1.051 402 Y CB 2.670 41.237 38.460 0.179 0.000 1.259 402 Y HN 0.669 nan 8.280 nan 0.000 0.468 403 T N 1.617 116.311 114.554 0.234 0.000 2.812 403 T HA 0.337 4.688 4.350 0.002 0.000 0.282 403 T C -0.181 174.590 174.700 0.119 0.000 0.990 403 T CA -0.987 61.202 62.100 0.149 0.000 0.960 403 T CB 0.922 69.824 68.868 0.057 0.000 0.948 403 T HN 0.731 nan 8.240 nan 0.000 0.438 404 S N 3.560 119.321 115.700 0.102 0.000 2.606 404 S HA 0.110 4.581 4.470 0.002 0.000 0.257 404 S C 1.586 176.213 174.600 0.044 0.000 1.327 404 S CA -0.812 57.396 58.200 0.014 0.000 0.984 404 S CB 0.318 63.518 63.200 -0.000 0.000 0.941 404 S HN 0.923 nan 8.310 nan 0.000 0.576 405 W N 0.580 121.851 121.300 -0.049 0.000 2.468 405 W HA 0.046 4.707 4.660 0.001 0.000 0.262 405 W C 0.594 177.108 176.519 -0.008 0.000 1.241 405 W CA 0.187 57.522 57.345 -0.017 0.000 1.232 405 W CB -1.062 28.395 29.460 -0.004 0.000 1.124 405 W HN 0.536 nan 8.180 nan 0.000 0.597 406 L N 1.407 122.212 121.223 -0.697 0.000 2.611 406 L HA 0.297 4.638 4.340 0.002 0.000 0.229 406 L C 1.818 178.518 176.870 -0.284 0.000 1.137 406 L CA 0.721 55.148 54.840 -0.689 0.000 0.901 406 L CB -0.768 40.835 42.059 -0.759 0.000 1.098 406 L HN 0.221 nan 8.230 nan 0.000 0.456 407 G N 0.486 109.193 108.800 -0.155 0.000 2.143 407 G HA2 -0.270 3.691 3.960 0.002 0.000 0.249 407 G HA3 -0.270 3.691 3.960 0.002 0.000 0.249 407 G C 0.166 175.044 174.900 -0.036 0.000 0.981 407 G CA -0.002 45.055 45.100 -0.072 0.000 0.665 407 G HN 0.362 nan 8.290 nan 0.000 0.528 408 K N 0.515 120.902 120.400 -0.022 0.000 2.208 408 K HA 0.553 4.874 4.320 0.002 0.000 0.247 408 K C -2.520 174.137 176.600 0.095 0.000 0.953 408 K CA -2.336 53.965 56.287 0.024 0.000 0.837 408 K CB 1.779 34.288 32.500 0.016 0.000 1.131 408 K HN -0.080 nan 8.250 nan 0.000 0.431 409 P HA -0.072 nan 4.420 nan 0.000 0.265 409 P C -1.427 176.003 177.300 0.216 0.000 1.187 409 P CA 0.106 63.283 63.100 0.128 0.000 0.766 409 P CB 0.302 32.040 31.700 0.064 0.000 0.820 410 W N 3.719 125.053 121.300 0.057 0.000 3.129 410 W HA 0.444 5.105 4.660 0.001 0.000 0.333 410 W C -1.283 175.288 176.519 0.086 0.000 1.141 410 W CA -0.519 56.856 57.345 0.050 0.000 1.224 410 W CB 1.851 31.335 29.460 0.041 0.000 1.393 410 W HN 0.120 nan 8.180 nan 0.000 0.499 411 K N 3.525 123.498 120.400 -0.712 0.000 2.375 411 K HA 0.261 4.582 4.320 0.002 0.000 0.249 411 K C -0.565 175.266 176.600 -1.282 0.000 0.942 411 K CA -1.096 54.831 56.287 -0.600 0.000 0.806 411 K CB 1.599 33.922 32.500 -0.296 0.000 1.227 411 K HN 0.475 nan 8.250 nan 0.000 0.430 412 H N 0.256 118.898 119.070 -0.714 0.000 3.167 412 H HA -0.090 4.467 4.556 0.002 0.000 0.306 412 H C 1.182 176.275 175.328 -0.393 0.000 0.965 412 H CA 2.465 58.221 56.048 -0.486 0.000 1.408 412 H CB 0.575 30.263 29.762 -0.123 0.000 1.406 412 H HN 1.031 nan 8.280 nan 0.000 0.576 413 G N 3.754 112.437 108.800 -0.195 0.000 2.157 413 G HA2 -0.231 3.730 3.960 0.002 0.000 0.239 413 G HA3 -0.231 3.730 3.960 0.002 0.000 0.239 413 G C -0.014 174.780 174.900 -0.176 0.000 0.982 413 G CA 0.045 45.081 45.100 -0.106 0.000 0.650 413 G HN 0.571 nan 8.290 nan 0.000 0.527 414 D N 0.517 120.688 120.400 -0.382 0.000 2.362 414 D HA 0.416 5.057 4.640 0.002 0.000 0.242 414 D C -0.289 175.991 176.300 -0.033 0.000 1.132 414 D CA -1.307 52.517 54.000 -0.294 0.000 0.907 414 D CB 0.896 41.326 40.800 -0.616 0.000 1.195 414 D HN 0.086 nan 8.370 nan 0.000 0.429 415 P HA -0.117 nan 4.420 nan 0.000 0.214 415 P C 0.137 177.524 177.300 0.144 0.000 1.163 415 P CA 1.076 64.217 63.100 0.069 0.000 0.889 415 P CB 0.250 31.979 31.700 0.048 0.000 0.790 416 E N 0.366 120.690 120.200 0.207 0.000 2.354 416 E HA 0.147 4.498 4.350 0.002 0.000 0.269 416 E C -2.179 174.676 176.600 0.425 0.000 1.036 416 E CA -2.498 54.064 56.400 0.271 0.000 0.876 416 E CB 0.042 29.898 29.700 0.262 0.000 1.009 416 E HN 0.085 nan 8.360 nan 0.000 0.416 417 P HA -0.025 nan 4.420 nan 0.000 0.274 417 P C 0.353 177.614 177.300 -0.066 0.000 1.237 417 P CA -0.233 62.969 63.100 0.170 0.000 0.793 417 P CB 1.246 32.967 31.700 0.035 0.000 0.977 418 C N 1.824 120.705 119.300 -0.699 0.000 2.440 418 C HA 0.164 4.625 4.460 0.002 0.000 0.278 418 C C 1.266 176.113 174.990 -0.239 0.000 1.295 418 C CA 1.176 59.519 59.018 -1.125 0.000 1.738 418 C CB -1.410 25.282 27.740 -1.746 0.000 1.987 418 C HN 0.673 nan 8.230 nan 0.000 0.492 419 A N -0.189 122.532 122.820 -0.165 0.000 2.337 419 A HA 0.517 4.838 4.320 0.002 0.000 0.329 419 A C -0.403 176.999 177.584 -0.303 0.000 1.146 419 A CA -0.355 51.624 52.037 -0.097 0.000 0.800 419 A CB -0.058 18.908 19.000 -0.056 0.000 1.220 419 A HN 0.649 nan 8.150 nan 0.000 0.472 420 H N 2.449 120.998 119.070 -0.868 0.000 2.897 420 H HA 0.074 4.631 4.556 0.002 0.000 0.347 420 H C -1.730 173.292 175.328 -0.510 0.000 1.068 420 H CA -0.804 54.629 56.048 -1.026 0.000 1.426 420 H CB 1.184 29.996 29.762 -1.584 0.000 1.410 420 H HN 0.292 nan 8.280 nan 0.000 0.597 421 P HA -0.123 nan 4.420 nan 0.000 0.221 421 P C 0.685 177.814 177.300 -0.286 0.000 1.145 421 P CA 1.353 64.181 63.100 -0.453 0.000 0.795 421 P CB 0.247 31.682 31.700 -0.441 0.000 0.775 422 N N -1.048 117.581 118.700 -0.118 0.000 2.251 422 N HA 0.015 4.756 4.740 0.002 0.000 0.217 422 N C -0.369 175.116 175.510 -0.043 0.000 1.124 422 N CA -0.185 52.854 53.050 -0.018 0.000 0.843 422 N CB -0.219 38.294 38.487 0.044 0.000 1.024 422 N HN -0.016 nan 8.380 nan 0.000 0.501 423 S N -0.254 115.376 115.700 -0.117 0.000 2.576 423 S HA 0.341 4.812 4.470 0.002 0.000 0.272 423 S C 0.108 174.558 174.600 -0.250 0.000 1.352 423 S CA -0.377 57.741 58.200 -0.136 0.000 1.021 423 S CB 1.214 64.328 63.200 -0.144 0.000 0.887 423 S HN 0.099 nan 8.310 nan 0.000 0.542 424 R N 0.570 120.929 120.500 -0.235 0.000 2.771 424 R HA 0.523 4.864 4.340 0.002 0.000 0.274 424 R C -1.091 175.043 176.300 -0.277 0.000 0.987 424 R CA -0.679 55.110 56.100 -0.519 0.000 0.908 424 R CB 1.394 31.161 30.300 -0.889 0.000 1.213 424 R HN 0.790 nan 8.270 nan 0.000 0.468 425 F N -1.325 118.422 119.950 -0.339 0.000 2.492 425 F HA 0.696 5.225 4.527 0.002 0.000 0.327 425 F C -0.223 175.426 175.800 -0.252 0.000 1.079 425 F CA -1.446 56.327 58.000 -0.379 0.000 0.967 425 F CB 1.239 39.969 39.000 -0.450 0.000 1.169 425 F HN 0.321 nan 8.300 nan 0.000 0.472 426 C N 3.597 122.920 119.300 0.037 0.000 2.344 426 C HA 0.919 5.380 4.460 0.002 0.000 0.326 426 C C -0.559 174.472 174.990 0.068 0.000 1.201 426 C CA 0.003 59.104 59.018 0.139 0.000 1.410 426 C CB -0.708 27.114 27.740 0.136 0.000 2.070 426 C HN 1.203 nan 8.230 nan 0.000 0.445 427 A N 7.047 129.952 122.820 0.142 0.000 2.449 427 A HA 0.902 5.223 4.320 0.002 0.000 0.302 427 A C -3.081 174.533 177.584 0.051 0.000 1.048 427 A CA -1.295 50.790 52.037 0.080 0.000 0.708 427 A CB 1.477 20.533 19.000 0.094 0.000 1.274 427 A HN 0.594 nan 8.150 nan 0.000 0.410 428 P HA 0.235 nan 4.420 nan 0.000 0.267 428 P C 0.820 178.060 177.300 -0.100 0.000 1.205 428 P CA 0.506 63.577 63.100 -0.048 0.000 0.765 428 P CB 1.103 32.800 31.700 -0.005 0.000 0.828 429 A N 4.114 126.728 122.820 -0.344 0.000 2.019 429 A HA -0.189 4.132 4.320 0.002 0.000 0.219 429 A C 1.619 178.935 177.584 -0.447 0.000 1.164 429 A CA 1.755 53.415 52.037 -0.628 0.000 0.644 429 A CB -1.101 17.115 19.000 -1.306 0.000 0.805 429 A HN 0.603 nan 8.150 nan 0.000 0.449 430 D N -0.402 119.855 120.400 -0.239 0.000 2.392 430 D HA -0.151 4.490 4.640 0.002 0.000 0.228 430 D C 1.429 177.725 176.300 -0.007 0.000 1.003 430 D CA 1.008 54.989 54.000 -0.032 0.000 0.917 430 D CB -0.498 40.424 40.800 0.203 0.000 0.890 430 D HN 0.608 nan 8.370 nan 0.000 0.532 431 Q N -0.794 118.994 119.800 -0.020 0.000 2.356 431 Q HA 0.131 4.472 4.340 0.002 0.000 0.205 431 Q C 0.226 176.223 176.000 -0.005 0.000 0.901 431 Q CA -0.194 55.611 55.803 0.003 0.000 0.938 431 Q CB 0.632 29.375 28.738 0.008 0.000 1.081 431 Q HN 0.295 nan 8.270 nan 0.000 0.517 432 C N 3.079 122.377 119.300 -0.004 0.000 2.566 432 C HA 0.198 4.659 4.460 0.002 0.000 0.393 432 C C -1.019 173.956 174.990 -0.025 0.000 1.309 432 C CA -1.815 57.193 59.018 -0.016 0.000 1.801 432 C CB 0.416 28.178 27.740 0.036 0.000 2.493 432 C HN 0.330 nan 8.230 nan 0.000 0.575 433 P HA -0.058 nan 4.420 nan 0.000 0.230 433 P C 0.597 177.905 177.300 0.012 0.000 1.158 433 P CA 1.348 64.445 63.100 -0.006 0.000 0.769 433 P CB -0.213 31.474 31.700 -0.022 0.000 0.807 434 I N -6.082 114.484 120.570 -0.007 0.000 3.877 434 I HA 0.282 4.453 4.170 0.002 0.000 0.332 434 I C 0.264 176.451 176.117 0.118 0.000 1.525 434 I CA -0.660 60.644 61.300 0.005 0.000 1.146 434 I CB -0.332 37.596 38.000 -0.121 0.000 1.137 434 I HN -0.341 nan 8.210 nan 0.000 0.424 435 M N 2.091 121.745 119.600 0.090 0.000 2.248 435 M HA 0.091 4.572 4.480 0.002 0.000 0.345 435 M C 0.047 176.517 176.300 0.282 0.000 1.243 435 M CA 0.359 55.707 55.300 0.079 0.000 1.090 435 M CB -0.413 32.044 32.600 -0.239 0.000 1.683 435 M HN 0.270 nan 8.290 nan 0.000 0.450 436 D N 5.107 125.712 120.400 0.342 0.000 2.443 436 D HA 0.079 4.720 4.640 0.002 0.000 0.239 436 D C -1.305 175.177 176.300 0.305 0.000 1.136 436 D CA -0.850 53.330 54.000 0.299 0.000 0.879 436 D CB 1.015 42.049 40.800 0.391 0.000 1.195 436 D HN 0.330 nan 8.370 nan 0.000 0.443 437 P HA -0.167 nan 4.420 nan 0.000 0.218 437 P C 0.326 177.700 177.300 0.124 0.000 1.146 437 P CA 1.203 64.386 63.100 0.138 0.000 0.813 437 P CB 0.154 31.883 31.700 0.048 0.000 0.778 438 R N -0.588 119.996 120.500 0.139 0.000 2.466 438 R HA 0.088 4.429 4.340 0.002 0.000 0.279 438 R C 1.999 178.310 176.300 0.017 0.000 0.976 438 R CA -0.230 55.893 56.100 0.038 0.000 1.081 438 R CB -0.548 29.768 30.300 0.026 0.000 1.215 438 R HN 0.408 nan 8.270 nan 0.000 0.546 439 W N 1.979 123.298 121.300 0.032 0.000 2.392 439 W HA -0.124 4.537 4.660 0.002 0.000 0.279 439 W C -0.283 176.222 176.519 -0.023 0.000 1.225 439 W CA 1.295 58.655 57.345 0.024 0.000 1.233 439 W CB -0.115 29.383 29.460 0.062 0.000 1.122 439 W HN 0.040 nan 8.180 nan 0.000 0.561 440 D N -0.030 119.773 120.400 -0.995 0.000 2.650 440 D HA 0.016 4.657 4.640 0.002 0.000 0.265 440 D C -0.527 175.465 176.300 -0.515 0.000 1.339 440 D CA -0.510 52.885 54.000 -1.009 0.000 0.816 440 D CB -0.941 38.849 40.800 -1.683 0.000 1.091 440 D HN -0.186 nan 8.370 nan 0.000 0.483 441 D N 2.311 122.512 120.400 -0.332 0.000 2.382 441 D HA 0.036 4.677 4.640 0.002 0.000 0.259 441 D C -1.027 175.165 176.300 -0.179 0.000 1.224 441 D CA -1.709 52.167 54.000 -0.208 0.000 0.894 441 D CB 1.720 42.434 40.800 -0.145 0.000 1.127 441 D HN -0.023 nan 8.370 nan 0.000 0.487 442 P HA -0.174 nan 4.420 nan 0.000 0.221 442 P C 0.992 178.231 177.300 -0.102 0.000 1.145 442 P CA 0.869 63.894 63.100 -0.126 0.000 0.795 442 P CB 0.338 31.976 31.700 -0.104 0.000 0.775 443 E N 0.150 120.293 120.200 -0.095 0.000 2.358 443 E HA 0.104 4.455 4.350 0.002 0.000 0.195 443 E C 0.783 177.332 176.600 -0.085 0.000 1.010 443 E CA 0.519 56.872 56.400 -0.078 0.000 0.856 443 E CB -0.253 29.409 29.700 -0.064 0.000 0.795 443 E HN 0.153 nan 8.360 nan 0.000 0.504 444 G N 0.342 109.077 108.800 -0.108 0.000 2.814 444 G HA2 -0.233 3.728 3.960 0.002 0.000 0.677 444 G HA3 -0.233 3.728 3.960 0.002 0.000 0.677 444 G C -0.242 174.554 174.900 -0.174 0.000 1.429 444 G CA -0.301 44.727 45.100 -0.121 0.000 0.868 444 G HN 0.593 nan 8.290 nan 0.000 0.553 445 V N -1.833 117.926 119.914 -0.258 0.000 2.547 445 V HA 0.867 4.987 4.120 0.002 0.000 0.299 445 V C -2.029 173.910 176.094 -0.258 0.000 1.040 445 V CA -2.063 59.950 62.300 -0.478 0.000 0.913 445 V CB 2.077 33.195 31.823 -1.174 0.000 0.992 445 V HN 0.875 nan 8.190 nan 0.000 0.449 446 P HA 0.336 nan 4.420 nan 0.000 0.281 446 P C -0.633 176.737 177.300 0.117 0.000 1.286 446 P CA -0.061 63.057 63.100 0.029 0.000 0.772 446 P CB 0.726 32.476 31.700 0.083 0.000 0.862 447 I N 4.269 124.894 120.570 0.091 0.000 2.352 447 I HA 0.124 4.295 4.170 0.002 0.000 0.290 447 I C 1.025 177.235 176.117 0.154 0.000 1.036 447 I CA 0.289 61.677 61.300 0.145 0.000 1.336 447 I CB 0.664 38.736 38.000 0.121 0.000 1.407 447 I HN 0.298 nan 8.210 nan 0.000 0.497 448 D N 4.537 125.035 120.400 0.162 0.000 2.449 448 D HA 0.301 4.942 4.640 0.002 0.000 0.210 448 D C 0.433 176.842 176.300 0.182 0.000 1.094 448 D CA 0.430 54.515 54.000 0.141 0.000 0.846 448 D CB 1.350 42.191 40.800 0.068 0.000 1.003 448 D HN 0.598 nan 8.370 nan 0.000 0.504 449 A N 0.488 123.426 122.820 0.198 0.000 2.520 449 A HA 0.680 5.001 4.320 0.002 0.000 0.298 449 A C -1.216 176.484 177.584 0.195 0.000 1.051 449 A CA -0.535 51.661 52.037 0.265 0.000 0.690 449 A CB 1.410 20.563 19.000 0.254 0.000 1.281 449 A HN 0.007 nan 8.150 nan 0.000 0.402 450 I N 2.189 122.854 120.570 0.160 0.000 2.465 450 I HA 0.462 4.633 4.170 0.002 0.000 0.291 450 I C -0.951 174.996 176.117 -0.283 0.000 1.014 450 I CA -0.430 60.837 61.300 -0.054 0.000 1.093 450 I CB 1.837 39.806 38.000 -0.051 0.000 1.267 450 I HN 0.505 nan 8.210 nan 0.000 0.431 451 I N 5.890 126.222 120.570 -0.398 0.000 2.436 451 I HA 0.379 4.550 4.170 0.002 0.000 0.289 451 I C -1.016 174.651 176.117 -0.749 0.000 1.010 451 I CA -0.490 60.545 61.300 -0.441 0.000 1.098 451 I CB 1.438 39.312 38.000 -0.210 0.000 1.266 451 I HN 0.270 nan 8.210 nan 0.000 0.434 452 F N 3.558 123.264 119.950 -0.407 0.000 2.421 452 F HA 0.690 5.218 4.527 0.002 0.000 0.337 452 F C 0.870 176.113 175.800 -0.928 0.000 1.105 452 F CA -0.824 56.818 58.000 -0.597 0.000 1.049 452 F CB 1.657 40.389 39.000 -0.447 0.000 1.139 452 F HN 0.369 nan 8.300 nan 0.000 0.479 453 G N 0.312 108.621 108.800 -0.818 0.000 2.448 453 G HA2 0.661 4.622 3.960 0.002 0.000 0.324 453 G HA3 0.661 4.622 3.960 0.002 0.000 0.324 453 G C -0.850 173.807 174.900 -0.405 0.000 1.203 453 G CA -0.920 43.667 45.100 -0.856 0.000 0.954 453 G HN 0.947 nan 8.290 nan 0.000 0.480 454 G N -0.227 108.414 108.800 -0.265 0.000 2.660 454 G HA2 0.603 4.564 3.960 0.002 0.000 0.294 454 G HA3 0.603 4.564 3.960 0.002 0.000 0.294 454 G C -1.191 173.758 174.900 0.082 0.000 1.369 454 G CA -0.884 44.214 45.100 -0.004 0.000 0.912 454 G HN 0.619 nan 8.290 nan 0.000 0.479 455 R N 1.168 121.695 120.500 0.045 0.000 2.310 455 R HA 0.471 4.812 4.340 0.002 0.000 0.316 455 R C -0.831 175.484 176.300 0.025 0.000 1.004 455 R CA -0.679 55.433 56.100 0.020 0.000 0.900 455 R CB 0.422 30.542 30.300 -0.300 0.000 1.152 455 R HN 0.397 nan 8.270 nan 0.000 0.513 456 R N 4.506 125.071 120.500 0.108 0.000 2.574 456 R HA 0.269 4.610 4.340 0.002 0.000 0.288 456 R C -2.262 174.073 176.300 0.059 0.000 1.004 456 R CA -2.005 54.119 56.100 0.041 0.000 0.895 456 R CB 1.999 32.296 30.300 -0.004 0.000 1.191 456 R HN 0.422 nan 8.270 nan 0.000 0.444 457 P HA -0.052 nan 4.420 nan 0.000 0.231 457 P C -0.111 177.147 177.300 -0.070 0.000 1.168 457 P CA 0.757 63.867 63.100 0.017 0.000 0.779 457 P CB 0.771 32.465 31.700 -0.010 0.000 0.844 458 R N -2.514 117.886 120.500 -0.166 0.000 2.739 458 R HA 0.525 4.866 4.340 0.002 0.000 0.271 458 R C 0.509 176.358 176.300 -0.751 0.000 1.010 458 R CA 0.083 55.989 56.100 -0.322 0.000 0.897 458 R CB 0.817 30.975 30.300 -0.236 0.000 1.236 458 R HN -0.015 nan 8.270 nan 0.000 0.466 459 G N 0.667 108.929 108.800 -0.896 0.000 2.640 459 G HA2 -0.279 3.682 3.960 0.002 0.000 0.226 459 G HA3 -0.279 3.682 3.960 0.002 0.000 0.226 459 G C -0.314 174.030 174.900 -0.926 0.000 1.222 459 G CA 0.155 44.278 45.100 -1.628 0.000 0.729 459 G HN 0.570 nan 8.290 nan 0.000 0.516 460 V N 4.458 123.976 119.914 -0.659 0.000 2.405 460 V HA 0.431 4.552 4.120 0.002 0.000 0.264 460 V C -1.395 174.649 176.094 -0.083 0.000 1.048 460 V CA -1.020 61.197 62.300 -0.139 0.000 0.966 460 V CB 1.138 32.928 31.823 -0.055 0.000 1.015 460 V HN 0.277 nan 8.190 nan 0.000 0.477 461 P HA 0.066 nan 4.420 nan 0.000 0.271 461 P C 0.871 178.020 177.300 -0.251 0.000 1.233 461 P CA -0.437 62.566 63.100 -0.161 0.000 0.789 461 P CB 0.670 32.375 31.700 0.008 0.000 0.951 462 L N 2.617 123.507 121.223 -0.555 0.000 2.021 462 L HA -0.080 4.261 4.340 0.002 0.000 0.215 462 L C 0.520 177.187 176.870 -0.338 0.000 1.074 462 L CA 2.146 56.656 54.840 -0.549 0.000 0.760 462 L CB -0.211 41.306 42.059 -0.903 0.000 0.889 462 L HN 0.218 nan 8.230 nan 0.000 0.433 463 V N -0.560 119.261 119.914 -0.156 0.000 2.891 463 V HA 0.538 4.659 4.120 0.002 0.000 0.304 463 V C -1.426 174.798 176.094 0.216 0.000 1.171 463 V CA -0.658 61.675 62.300 0.055 0.000 0.943 463 V CB 2.178 34.045 31.823 0.072 0.000 1.037 463 V HN -0.214 nan 8.190 nan 0.000 0.427 464 V N 5.473 125.546 119.914 0.266 0.000 2.760 464 V HA 0.559 4.680 4.120 0.002 0.000 0.309 464 V C -0.352 175.958 176.094 0.360 0.000 1.077 464 V CA -0.628 61.831 62.300 0.264 0.000 0.910 464 V CB 1.939 33.836 31.823 0.124 0.000 1.008 464 V HN 0.967 nan 8.190 nan 0.000 0.424 465 E N 2.743 123.182 120.200 0.398 0.000 2.216 465 E HA 0.691 5.042 4.350 0.002 0.000 0.279 465 E C 0.037 176.617 176.600 -0.033 0.000 0.997 465 E CA -0.540 55.926 56.400 0.109 0.000 0.817 465 E CB 1.763 31.580 29.700 0.196 0.000 1.096 465 E HN 0.924 nan 8.360 nan 0.000 0.393 466 A N 3.513 126.215 122.820 -0.196 0.000 2.466 466 A HA 0.059 4.380 4.320 0.002 0.000 0.238 466 A C 0.178 177.870 177.584 0.180 0.000 1.074 466 A CA -0.114 51.831 52.037 -0.154 0.000 0.774 466 A CB 0.013 18.901 19.000 -0.188 0.000 1.015 466 A HN 0.746 nan 8.150 nan 0.000 0.498 467 F N 1.042 121.292 119.950 0.501 0.000 2.451 467 F HA 0.261 4.788 4.527 0.002 0.000 0.299 467 F C 1.617 177.598 175.800 0.302 0.000 1.101 467 F CA 1.082 59.264 58.000 0.303 0.000 1.436 467 F CB -0.559 38.456 39.000 0.025 0.000 1.074 467 F HN 0.832 nan 8.300 nan 0.000 0.553 468 G N -2.892 106.180 108.800 0.453 0.000 2.342 468 G HA2 0.016 3.977 3.960 0.002 0.000 0.297 468 G HA3 0.016 3.977 3.960 0.002 0.000 0.297 468 G C -0.323 174.796 174.900 0.364 0.000 1.313 468 G CA -0.368 44.953 45.100 0.369 0.000 0.830 468 G HN 0.078 nan 8.290 nan 0.000 0.506 469 W N 0.466 121.888 121.300 0.205 0.000 2.355 469 W HA -0.057 4.604 4.660 0.002 0.000 0.309 469 W C 2.222 178.893 176.519 0.254 0.000 1.206 469 W CA 1.852 59.332 57.345 0.226 0.000 1.284 469 W CB 0.055 29.637 29.460 0.203 0.000 1.145 469 W HN 0.627 nan 8.180 nan 0.000 0.502 470 R N -0.630 120.117 120.500 0.412 0.000 2.081 470 R HA -0.225 4.116 4.340 0.002 0.000 0.235 470 R C 2.617 179.071 176.300 0.257 0.000 1.131 470 R CA 1.932 58.213 56.100 0.303 0.000 0.960 470 R CB -1.117 29.342 30.300 0.266 0.000 0.856 470 R HN 0.321 nan 8.270 nan 0.000 0.436 471 H N -1.014 118.153 119.070 0.162 0.000 2.321 471 H HA -0.102 4.455 4.556 0.002 0.000 0.300 471 H C 1.809 177.220 175.328 0.138 0.000 1.087 471 H CA 1.291 57.441 56.048 0.169 0.000 1.319 471 H CB -0.101 29.769 29.762 0.180 0.000 1.379 471 H HN 0.397 nan 8.280 nan 0.000 0.501 472 G N 0.367 109.154 108.800 -0.021 0.000 2.476 472 G HA2 -0.264 3.697 3.960 0.002 0.000 0.218 472 G HA3 -0.264 3.697 3.960 0.002 0.000 0.218 472 G C 1.835 176.621 174.900 -0.190 0.000 1.164 472 G CA 1.198 46.221 45.100 -0.129 0.000 0.768 472 G HN 0.351 nan 8.290 nan 0.000 0.560 473 V N 0.522 120.341 119.914 -0.158 0.000 2.343 473 V HA -0.138 3.983 4.120 0.002 0.000 0.247 473 V C 2.331 178.381 176.094 -0.073 0.000 1.051 473 V CA 1.856 64.110 62.300 -0.077 0.000 1.036 473 V CB -0.667 31.206 31.823 0.082 0.000 0.654 473 V HN 0.409 nan 8.190 nan 0.000 0.451 474 F N 0.630 120.522 119.950 -0.097 0.000 2.095 474 F HA -0.242 4.286 4.527 0.002 0.000 0.298 474 F C 2.301 178.004 175.800 -0.162 0.000 1.104 474 F CA 1.996 59.961 58.000 -0.058 0.000 1.232 474 F CB -0.376 38.654 39.000 0.049 0.000 0.987 474 F HN 0.061 nan 8.300 nan 0.000 0.475 475 M N 0.259 119.550 119.600 -0.515 0.000 2.108 475 M HA -0.141 4.340 4.480 0.002 0.000 0.261 475 M C 2.509 178.282 176.300 -0.879 0.000 1.066 475 M CA 1.825 56.719 55.300 -0.677 0.000 1.107 475 M CB -1.347 31.010 32.600 -0.406 0.000 1.356 475 M HN 0.363 nan 8.290 nan 0.000 0.406 476 G N -0.013 107.928 108.800 -1.431 0.000 2.418 476 G HA2 -0.242 3.719 3.960 0.002 0.000 0.217 476 G HA3 -0.242 3.719 3.960 0.002 0.000 0.217 476 G C 1.619 175.888 174.900 -1.053 0.000 1.158 476 G CA 1.288 45.022 45.100 -2.276 0.000 0.771 476 G HN 0.572 nan 8.290 nan 0.000 0.545 477 S N 0.512 115.940 115.700 -0.454 0.000 2.453 477 S HA 0.314 4.785 4.470 0.002 0.000 0.231 477 S C 2.180 176.765 174.600 -0.026 0.000 1.005 477 S CA 1.198 59.401 58.200 0.005 0.000 0.949 477 S CB -0.092 63.161 63.200 0.088 0.000 0.774 477 S HN 0.562 nan 8.310 nan 0.000 0.510 478 A N 0.670 123.305 122.820 -0.309 0.000 2.275 478 A HA 0.525 4.846 4.320 0.002 0.000 0.212 478 A C 0.803 178.248 177.584 -0.231 0.000 1.201 478 A CA -0.459 51.406 52.037 -0.287 0.000 0.843 478 A CB -0.523 18.139 19.000 -0.564 0.000 0.873 478 A HN 0.572 nan 8.150 nan 0.000 0.492 479 M N 0.421 119.887 119.600 -0.224 0.000 2.252 479 M HA 0.194 4.675 4.480 0.002 0.000 0.333 479 M C 0.297 176.507 176.300 -0.150 0.000 1.111 479 M CA 0.876 56.087 55.300 -0.149 0.000 1.140 479 M CB 0.412 32.918 32.600 -0.157 0.000 1.538 479 M HN 0.267 nan 8.290 nan 0.000 0.448 480 R N 0.234 120.648 120.500 -0.143 0.000 2.807 480 R HA 0.600 4.941 4.340 0.002 0.000 0.276 480 R C -0.754 175.475 176.300 -0.119 0.000 0.979 480 R CA -0.697 55.277 56.100 -0.211 0.000 0.928 480 R CB 2.164 32.275 30.300 -0.314 0.000 1.191 480 R HN 0.845 nan 8.270 nan 0.000 0.471 495 M N 0.959 120.473 119.600 -0.144 0.000 2.255 495 M HA 0.313 4.794 4.480 0.002 0.000 0.336 495 M C 0.089 176.244 176.300 -0.241 0.000 1.135 495 M CA -0.345 54.879 55.300 -0.127 0.000 1.145 495 M CB 0.719 33.295 32.600 -0.039 0.000 1.473 495 M HN 0.239 nan 8.290 nan 0.000 0.462 496 H N 1.410 120.348 119.070 -0.220 0.000 2.683 496 H HA 0.085 4.642 4.556 0.001 0.000 0.339 496 H C -0.835 174.415 175.328 -0.129 0.000 1.081 496 H CA 0.430 56.268 56.048 -0.350 0.000 1.432 496 H CB 0.741 29.915 29.762 -0.981 0.000 1.462 496 H HN 0.442 nan 8.280 nan 0.000 0.557 497 D N 4.564 124.971 120.400 0.011 0.000 2.621 497 D HA 0.174 4.815 4.640 0.002 0.000 0.274 497 D C -2.675 173.696 176.300 0.119 0.000 1.215 497 D CA -1.878 52.169 54.000 0.078 0.000 0.810 497 D CB 0.784 41.606 40.800 0.035 0.000 1.248 497 D HN 0.238 nan 8.370 nan 0.000 0.517 498 P HA 0.046 nan 4.420 nan 0.000 0.263 498 P C 0.234 177.760 177.300 0.377 0.000 1.195 498 P CA -0.032 63.255 63.100 0.312 0.000 0.762 498 P CB -0.015 32.026 31.700 0.568 0.000 0.799 499 F N 1.646 121.569 119.950 -0.046 0.000 3.048 499 F HA -0.301 4.227 4.527 0.001 0.000 0.287 499 F C 1.428 177.289 175.800 0.101 0.000 0.796 499 F CA 1.095 59.097 58.000 0.004 0.000 1.111 499 F CB -2.556 36.509 39.000 0.108 0.000 1.320 499 F HN 0.580 nan 8.300 nan 0.000 0.430 500 A N -1.626 121.308 122.820 0.190 0.000 2.816 500 A HA -0.303 4.018 4.320 0.002 0.000 0.270 500 A C 1.394 179.174 177.584 0.327 0.000 1.413 500 A CA 1.658 53.841 52.037 0.244 0.000 0.866 500 A CB -1.427 17.705 19.000 0.220 0.000 1.032 500 A HN 0.420 nan 8.150 nan 0.000 0.642 501 M N -1.510 118.122 119.600 0.054 0.000 2.333 501 M HA 0.134 4.615 4.480 0.002 0.000 0.257 501 M C 1.686 177.504 176.300 -0.802 0.000 1.078 501 M CA 0.588 55.675 55.300 -0.355 0.000 1.005 501 M CB -0.476 31.613 32.600 -0.851 0.000 1.444 501 M HN 0.648 nan 8.290 nan 0.000 0.496 502 R N 1.933 122.221 120.500 -0.354 0.000 2.113 502 R HA -0.159 4.182 4.340 0.002 0.000 0.244 502 R C -1.044 175.069 176.300 -0.311 0.000 1.142 502 R CA 1.917 57.918 56.100 -0.165 0.000 0.953 502 R CB -0.988 29.330 30.300 0.030 0.000 0.860 502 R HN 0.176 nan 8.270 nan 0.000 0.438 503 P HA 0.031 nan 4.420 nan 0.000 0.249 503 P C -0.142 176.632 177.300 -0.877 0.000 1.229 503 P CA 0.768 63.393 63.100 -0.792 0.000 0.788 503 P CB 0.118 31.186 31.700 -1.054 0.000 1.072 504 F N -2.474 117.307 119.950 -0.281 0.000 2.729 504 F HA 0.326 4.854 4.527 0.002 0.000 0.315 504 F C 0.650 176.276 175.800 -0.290 0.000 1.102 504 F CA -1.184 56.651 58.000 -0.276 0.000 1.204 504 F CB -0.625 38.198 39.000 -0.296 0.000 1.052 504 F HN -0.308 nan 8.300 nan 0.000 0.551 505 F N 0.622 120.539 119.950 -0.055 0.000 2.572 505 F HA 0.375 4.903 4.527 0.001 0.000 0.370 505 F C 1.635 177.396 175.800 -0.065 0.000 1.103 505 F CA 0.069 57.987 58.000 -0.137 0.000 1.286 505 F CB 0.523 39.373 39.000 -0.249 0.000 1.105 505 F HN 0.082 nan 8.300 nan 0.000 0.583 506 G N 2.070 111.007 108.800 0.228 0.000 3.126 506 G HA2 0.242 4.203 3.960 0.002 0.000 0.224 506 G HA3 0.242 4.203 3.960 0.002 0.000 0.224 506 G C -0.737 174.368 174.900 0.341 0.000 1.142 506 G CA 0.231 45.471 45.100 0.233 0.000 0.759 506 G HN 0.647 nan 8.290 nan 0.000 0.550 507 Y N -2.749 117.611 120.300 0.099 0.000 2.779 507 Y HA 0.474 5.025 4.550 0.002 0.000 0.340 507 Y C -0.733 175.162 175.900 -0.008 0.000 1.252 507 Y CA -2.372 55.753 58.100 0.042 0.000 1.072 507 Y CB 0.085 38.560 38.460 0.026 0.000 1.343 507 Y HN -0.148 nan 8.280 nan 0.000 0.450 508 N N 1.096 119.779 118.700 -0.028 0.000 2.236 508 N HA -0.066 4.675 4.740 0.002 0.000 0.274 508 N C 1.053 176.317 175.510 -0.411 0.000 1.339 508 N CA 1.059 53.999 53.050 -0.184 0.000 0.845 508 N CB 1.339 39.800 38.487 -0.043 0.000 1.091 508 N HN 0.987 nan 8.380 nan 0.000 0.489 509 A N 4.079 126.517 122.820 -0.637 0.000 2.019 509 A HA -0.077 4.244 4.320 0.002 0.000 0.219 509 A C 2.036 179.546 177.584 -0.124 0.000 1.164 509 A CA 1.725 53.217 52.037 -0.909 0.000 0.644 509 A CB -0.730 17.357 19.000 -1.522 0.000 0.805 509 A HN 0.747 nan 8.150 nan 0.000 0.449 510 G N -0.435 108.406 108.800 0.068 0.000 2.422 510 G HA2 -0.215 3.746 3.960 0.002 0.000 0.218 510 G HA3 -0.215 3.746 3.960 0.002 0.000 0.218 510 G C 1.745 176.717 174.900 0.120 0.000 1.146 510 G CA 0.816 46.058 45.100 0.236 0.000 0.769 510 G HN 0.584 nan 8.290 nan 0.000 0.547 511 R N -1.127 119.426 120.500 0.089 0.000 2.148 511 R HA 0.005 4.346 4.340 0.002 0.000 0.223 511 R C 2.222 178.700 176.300 0.297 0.000 1.088 511 R CA 0.889 57.102 56.100 0.188 0.000 0.985 511 R CB -0.410 30.044 30.300 0.256 0.000 0.880 511 R HN 0.540 nan 8.270 nan 0.000 0.451 512 Y N 1.526 121.806 120.300 -0.033 0.000 2.181 512 Y HA -0.161 4.390 4.550 0.002 0.000 0.288 512 Y C 1.821 177.836 175.900 0.191 0.000 1.146 512 Y CA 1.407 59.531 58.100 0.040 0.000 1.164 512 Y CB -0.170 38.144 38.460 -0.244 0.000 0.982 512 Y HN -0.080 nan 8.280 nan 0.000 0.515 513 L N 0.057 121.401 121.223 0.203 0.000 2.083 513 L HA -0.176 4.165 4.340 0.002 0.000 0.209 513 L C 2.474 179.418 176.870 0.124 0.000 1.083 513 L CA 1.679 56.569 54.840 0.083 0.000 0.752 513 L CB -0.595 41.490 42.059 0.044 0.000 0.899 513 L HN 0.199 nan 8.230 nan 0.000 0.433 514 E N -0.113 120.170 120.200 0.139 0.000 2.110 514 E HA -0.283 4.068 4.350 0.002 0.000 0.193 514 E C 2.061 178.774 176.600 0.190 0.000 0.988 514 E CA 1.458 57.946 56.400 0.147 0.000 0.804 514 E CB -0.130 29.646 29.700 0.127 0.000 0.745 514 E HN 0.443 nan 8.360 nan 0.000 0.458 515 H N -1.455 117.676 119.070 0.101 0.000 2.353 515 H HA -0.107 4.450 4.556 0.002 0.000 0.300 515 H C 1.529 176.880 175.328 0.038 0.000 1.090 515 H CA 2.106 58.182 56.048 0.047 0.000 1.327 515 H CB -0.541 29.244 29.762 0.037 0.000 1.383 515 H HN 0.225 nan 8.280 nan 0.000 0.508 516 W N 0.475 121.664 121.300 -0.185 0.000 2.358 516 W HA -0.117 4.544 4.660 0.002 0.000 0.303 516 W C 2.428 179.117 176.519 0.285 0.000 1.208 516 W CA 1.382 58.695 57.345 -0.054 0.000 1.274 516 W CB -0.401 28.934 29.460 -0.208 0.000 1.138 516 W HN 0.200 nan 8.180 nan 0.000 0.515 517 L N -0.969 120.507 121.223 0.421 0.000 2.017 517 L HA -0.243 4.098 4.340 0.002 0.000 0.208 517 L C 2.645 179.676 176.870 0.267 0.000 1.073 517 L CA 1.617 56.703 54.840 0.411 0.000 0.745 517 L CB -1.244 40.966 42.059 0.250 0.000 0.894 517 L HN -0.111 nan 8.230 nan 0.000 0.432 518 S N -0.945 114.833 115.700 0.131 0.000 2.382 518 S HA -0.187 4.283 4.470 0.002 0.000 0.228 518 S C 1.983 176.544 174.600 -0.064 0.000 1.027 518 S CA 1.908 60.128 58.200 0.033 0.000 0.991 518 S CB -0.209 63.021 63.200 0.050 0.000 0.823 518 S HN 0.425 nan 8.310 nan 0.000 0.469 519 T N 0.840 115.322 114.554 -0.120 0.000 2.720 519 T HA -0.044 4.307 4.350 0.002 0.000 0.268 519 T C 1.812 176.282 174.700 -0.383 0.000 1.037 519 T CA 1.368 63.342 62.100 -0.211 0.000 1.144 519 T CB -0.910 67.793 68.868 -0.275 0.000 0.864 519 T HN 0.569 nan 8.240 nan 0.000 0.444 520 G N 0.772 109.240 108.800 -0.554 0.000 2.509 520 G HA2 -0.024 3.937 3.960 0.002 0.000 0.218 520 G HA3 -0.024 3.937 3.960 0.002 0.000 0.218 520 G C 1.252 175.815 174.900 -0.563 0.000 1.124 520 G CA 0.220 44.569 45.100 -1.252 0.000 0.776 520 G HN 0.469 nan 8.290 nan 0.000 0.547 521 L N -0.280 120.764 121.223 -0.299 0.000 2.592 521 L HA 0.230 4.571 4.340 0.002 0.000 0.227 521 L C 1.543 178.284 176.870 -0.214 0.000 1.127 521 L CA -0.451 54.276 54.840 -0.187 0.000 0.884 521 L CB -0.014 41.993 42.059 -0.086 0.000 1.065 521 L HN 0.092 nan 8.230 nan 0.000 0.457 522 R N 1.397 121.716 120.500 -0.302 0.000 2.504 522 R HA -0.027 4.314 4.340 0.002 0.000 0.291 522 R C 0.382 176.501 176.300 -0.302 0.000 0.974 522 R CA 0.084 55.997 56.100 -0.312 0.000 1.077 522 R CB 0.521 30.547 30.300 -0.458 0.000 0.926 522 R HN -0.020 nan 8.270 nan 0.000 0.407 523 S N 3.851 119.425 115.700 -0.210 0.000 2.549 523 S HA -0.012 4.459 4.470 0.002 0.000 0.286 523 S C 0.222 174.703 174.600 -0.198 0.000 1.314 523 S CA 0.066 58.164 58.200 -0.170 0.000 1.062 523 S CB 0.181 63.313 63.200 -0.114 0.000 0.865 523 S HN 0.922 nan 8.310 nan 0.000 0.498 524 N N 0.343 118.941 118.700 -0.169 0.000 2.778 524 N HA -0.194 4.547 4.740 0.002 0.000 0.249 524 N C -0.008 175.374 175.510 -0.213 0.000 1.069 524 N CA 1.060 54.019 53.050 -0.152 0.000 0.831 524 N CB -1.927 36.495 38.487 -0.108 0.000 1.142 524 N HN 0.772 nan 8.380 nan 0.000 0.573 525 A N 0.832 123.436 122.820 -0.359 0.000 2.477 525 A HA 0.273 4.594 4.320 0.002 0.000 0.246 525 A C 0.787 178.220 177.584 -0.253 0.000 1.078 525 A CA 0.100 51.804 52.037 -0.555 0.000 0.770 525 A CB 0.238 18.585 19.000 -1.089 0.000 1.011 525 A HN 0.251 nan 8.150 nan 0.000 0.494 526 R N 2.715 123.174 120.500 -0.068 0.000 2.870 526 R HA 0.259 4.600 4.340 0.002 0.000 0.254 526 R C -0.841 175.567 176.300 0.180 0.000 1.392 526 R CA -0.113 56.022 56.100 0.059 0.000 1.322 526 R CB -0.026 30.328 30.300 0.089 0.000 1.205 526 R HN 0.667 nan 8.270 nan 0.000 0.597 527 L N 4.544 125.835 121.223 0.115 0.000 2.453 527 L HA 0.173 4.514 4.340 0.002 0.000 0.272 527 L C -1.449 175.602 176.870 0.302 0.000 1.182 527 L CA -1.657 53.315 54.840 0.220 0.000 0.858 527 L CB -0.018 42.104 42.059 0.104 0.000 1.120 527 L HN 0.227 nan 8.230 nan 0.000 0.474 528 P HA 0.149 nan 4.420 nan 0.000 0.272 528 P C -0.794 176.714 177.300 0.348 0.000 1.223 528 P CA -0.407 62.896 63.100 0.339 0.000 0.784 528 P CB 0.614 32.520 31.700 0.344 0.000 0.923 529 R N 0.985 121.628 120.500 0.238 0.000 2.490 529 R HA 0.418 4.759 4.340 0.002 0.000 0.280 529 R C -0.006 176.275 176.300 -0.032 0.000 1.077 529 R CA -0.493 55.652 56.100 0.075 0.000 1.065 529 R CB 0.210 30.513 30.300 0.004 0.000 1.003 529 R HN 0.460 nan 8.270 nan 0.000 0.470 530 L N 3.613 124.667 121.223 -0.282 0.000 2.317 530 L HA 0.555 4.896 4.340 0.002 0.000 0.281 530 L C -0.708 175.829 176.870 -0.554 0.000 1.024 530 L CA -0.535 54.142 54.840 -0.272 0.000 0.810 530 L CB 0.859 42.842 42.059 -0.127 0.000 1.240 530 L HN 0.472 nan 8.230 nan 0.000 0.427 531 F N 0.390 120.279 119.950 -0.101 0.000 2.613 531 F HA 0.484 5.012 4.527 0.002 0.000 0.314 531 F C -0.061 175.730 175.800 -0.016 0.000 1.075 531 F CA -0.757 57.237 58.000 -0.011 0.000 0.945 531 F CB 1.792 40.800 39.000 0.014 0.000 1.310 531 F HN 0.394 nan 8.300 nan 0.000 0.467 532 H N 1.605 120.758 119.070 0.137 0.000 2.529 532 H HA 0.721 5.278 4.556 0.002 0.000 0.348 532 H C -1.616 173.677 175.328 -0.058 0.000 1.079 532 H CA -0.624 55.434 56.048 0.017 0.000 1.198 532 H CB 1.960 31.713 29.762 -0.015 0.000 1.521 532 H HN 0.584 nan 8.280 nan 0.000 0.514 533 V N 2.934 122.512 119.914 -0.560 0.000 2.864 533 V HA 0.542 4.663 4.120 0.002 0.000 0.314 533 V C -0.634 175.077 176.094 -0.637 0.000 1.073 533 V CA -0.969 60.992 62.300 -0.566 0.000 0.956 533 V CB 1.954 33.252 31.823 -0.875 0.000 1.023 533 V HN 0.786 nan 8.190 nan 0.000 0.435 534 N N 1.973 120.362 118.700 -0.519 0.000 2.558 534 N HA 0.408 5.149 4.740 0.002 0.000 0.285 534 N C -0.436 174.911 175.510 -0.273 0.000 1.112 534 N CA -0.706 52.159 53.050 -0.309 0.000 0.857 534 N CB 1.131 39.583 38.487 -0.060 0.000 1.376 534 N HN 0.893 nan 8.380 nan 0.000 0.526 535 W N 2.137 123.292 121.300 -0.241 0.000 3.077 535 W HA 0.214 4.875 4.660 0.002 0.000 0.245 535 W C 0.067 176.190 176.519 -0.660 0.000 1.316 535 W CA -0.381 56.606 57.345 -0.597 0.000 1.537 535 W CB 0.100 28.943 29.460 -1.029 0.000 1.131 535 W HN 0.422 nan 8.180 nan 0.000 0.695 536 F N 0.125 120.179 119.950 0.174 0.000 2.698 536 F HA 0.301 4.829 4.527 0.002 0.000 0.304 536 F C 0.742 176.725 175.800 0.305 0.000 1.108 536 F CA -0.752 57.397 58.000 0.248 0.000 1.263 536 F CB -0.565 38.547 39.000 0.186 0.000 1.013 536 F HN -0.361 nan 8.300 nan 0.000 0.532 537 L N 1.769 123.148 121.223 0.258 0.000 2.514 537 L HA 0.131 4.472 4.340 0.002 0.000 0.280 537 L C 0.453 177.428 176.870 0.174 0.000 1.223 537 L CA 0.588 55.504 54.840 0.126 0.000 0.864 537 L CB 0.357 42.410 42.059 -0.008 0.000 1.118 537 L HN 0.185 nan 8.230 nan 0.000 0.494 538 R N 1.026 121.550 120.500 0.040 0.000 2.803 538 R HA 0.320 4.661 4.340 0.002 0.000 0.276 538 R C -0.976 175.292 176.300 -0.053 0.000 0.978 538 R CA -0.968 55.105 56.100 -0.045 0.000 0.939 538 R CB 1.788 31.998 30.300 -0.149 0.000 1.179 538 R HN 0.650 nan 8.270 nan 0.000 0.472 539 D N 0.316 120.683 120.400 -0.055 0.000 2.478 539 D HA 0.020 4.661 4.640 0.002 0.000 0.269 539 D C 0.387 176.655 176.300 -0.055 0.000 1.232 539 D CA -0.507 53.466 54.000 -0.045 0.000 1.059 539 D CB 0.412 41.196 40.800 -0.027 0.000 1.104 539 D HN 0.253 nan 8.370 nan 0.000 0.566 540 N N -0.503 118.172 118.700 -0.041 0.000 2.364 540 N HA -0.120 4.621 4.740 0.002 0.000 0.183 540 N C 0.726 176.210 175.510 -0.043 0.000 1.022 540 N CA 0.773 53.800 53.050 -0.038 0.000 0.883 540 N CB -0.164 38.307 38.487 -0.026 0.000 0.965 540 N HN 0.478 nan 8.380 nan 0.000 0.438 541 E N -0.836 119.337 120.200 -0.046 0.000 2.479 541 E HA 0.228 4.579 4.350 0.002 0.000 0.193 541 E C 1.159 177.716 176.600 -0.072 0.000 1.049 541 E CA 0.265 56.636 56.400 -0.048 0.000 0.870 541 E CB -0.106 29.571 29.700 -0.037 0.000 0.944 541 E HN 0.333 nan 8.360 nan 0.000 0.492 542 G N 1.480 110.221 108.800 -0.098 0.000 2.176 542 G HA2 -0.321 3.640 3.960 0.002 0.000 0.253 542 G HA3 -0.321 3.640 3.960 0.002 0.000 0.253 542 G C 0.255 175.005 174.900 -0.249 0.000 0.979 542 G CA 0.278 45.285 45.100 -0.154 0.000 0.641 542 G HN 0.273 nan 8.290 nan 0.000 0.530 543 R N -0.167 120.220 120.500 -0.187 0.000 2.500 543 R HA 0.633 4.974 4.340 0.002 0.000 0.275 543 R C -0.305 175.871 176.300 -0.207 0.000 1.051 543 R CA -0.781 55.197 56.100 -0.204 0.000 1.088 543 R CB 0.630 30.893 30.300 -0.062 0.000 1.063 543 R HN 0.043 nan 8.270 nan 0.000 0.511 544 F N 0.882 120.862 119.950 0.050 0.000 2.529 544 F HA 0.033 4.561 4.527 0.002 0.000 0.365 544 F C 1.593 177.417 175.800 0.040 0.000 1.102 544 F CA -0.230 57.806 58.000 0.061 0.000 1.271 544 F CB 0.792 39.840 39.000 0.079 0.000 1.120 544 F HN 0.243 nan 8.300 nan 0.000 0.579 545 V N 3.266 123.328 119.914 0.247 0.000 2.788 545 V HA -0.125 3.996 4.120 0.002 0.000 0.251 545 V C 0.190 176.411 176.094 0.213 0.000 1.068 545 V CA 0.663 63.056 62.300 0.156 0.000 1.090 545 V CB -0.220 31.655 31.823 0.088 0.000 0.710 545 V HN 0.695 nan 8.190 nan 0.000 0.467 546 W N 2.217 123.518 121.300 0.002 0.000 2.532 546 W HA 0.354 5.014 4.660 0.001 0.000 0.321 546 W C -2.120 174.343 176.519 -0.092 0.000 1.037 546 W CA -2.005 55.295 57.345 -0.075 0.000 1.220 546 W CB 2.363 31.761 29.460 -0.103 0.000 1.361 546 W HN 0.076 nan 8.180 nan 0.000 0.468 547 P HA 0.017 nan 4.420 nan 0.000 0.223 547 P C 0.995 178.040 177.300 -0.425 0.000 1.151 547 P CA 1.630 64.455 63.100 -0.457 0.000 0.787 547 P CB 0.598 31.982 31.700 -0.525 0.000 0.788 548 G N -0.253 108.048 108.800 -0.832 0.000 2.601 548 G HA2 -0.273 3.688 3.960 0.002 0.000 0.252 548 G HA3 -0.273 3.688 3.960 0.002 0.000 0.252 548 G C 0.048 174.705 174.900 -0.405 0.000 1.294 548 G CA -0.119 44.598 45.100 -0.638 0.000 0.912 548 G HN 0.173 nan 8.290 nan 0.000 0.574 549 F N -2.001 117.672 119.950 -0.463 0.000 2.512 549 F HA -0.289 4.239 4.527 0.002 0.000 0.290 549 F C 2.686 178.255 175.800 -0.385 0.000 1.459 549 F CA 2.803 60.578 58.000 -0.374 0.000 1.366 549 F CB -1.700 37.131 39.000 -0.282 0.000 3.242 549 F HN 1.636 nan 8.300 nan 0.000 0.190 550 G N -1.001 107.711 108.800 -0.147 0.000 2.479 550 G HA2 -0.218 3.743 3.960 0.002 0.000 0.220 550 G HA3 -0.218 3.743 3.960 0.002 0.000 0.220 550 G C 1.038 175.735 174.900 -0.339 0.000 1.115 550 G CA 1.239 46.176 45.100 -0.271 0.000 0.757 550 G HN 0.711 nan 8.290 nan 0.000 0.560 551 H N 0.573 119.498 119.070 -0.241 0.000 2.545 551 H HA 0.010 4.567 4.556 0.002 0.000 0.282 551 H C 1.998 177.258 175.328 -0.114 0.000 1.020 551 H CA 0.855 56.734 56.048 -0.280 0.000 1.243 551 H CB 0.068 29.481 29.762 -0.581 0.000 1.377 551 H HN 0.259 nan 8.280 nan 0.000 0.581 552 N N 0.994 119.602 118.700 -0.153 0.000 2.453 552 N HA -0.071 4.670 4.740 0.002 0.000 0.183 552 N C 1.981 177.423 175.510 -0.114 0.000 1.041 552 N CA 0.792 53.676 53.050 -0.278 0.000 0.900 552 N CB -0.129 37.802 38.487 -0.928 0.000 0.961 552 N HN 0.331 nan 8.380 nan 0.000 0.443 553 A N 1.232 123.985 122.820 -0.112 0.000 2.024 553 A HA -0.135 4.186 4.320 0.002 0.000 0.220 553 A C 2.220 179.700 177.584 -0.174 0.000 1.164 553 A CA 1.063 53.023 52.037 -0.129 0.000 0.643 553 A CB -0.324 18.590 19.000 -0.143 0.000 0.806 553 A HN 0.249 nan 8.150 nan 0.000 0.451 554 R N -0.830 119.650 120.500 -0.032 0.000 2.081 554 R HA -0.070 4.271 4.340 0.002 0.000 0.235 554 R C 1.972 178.297 176.300 0.042 0.000 1.131 554 R CA 1.426 57.529 56.100 0.006 0.000 0.960 554 R CB -0.539 29.907 30.300 0.242 0.000 0.856 554 R HN 0.383 nan 8.270 nan 0.000 0.436 555 V N 1.480 121.461 119.914 0.111 0.000 2.358 555 V HA -0.208 3.913 4.120 0.002 0.000 0.246 555 V C 2.263 178.431 176.094 0.124 0.000 1.047 555 V CA 1.618 64.001 62.300 0.138 0.000 1.035 555 V CB -0.428 31.519 31.823 0.207 0.000 0.658 555 V HN 0.283 nan 8.190 nan 0.000 0.452 556 L N 0.199 121.447 121.223 0.042 0.000 2.083 556 L HA -0.172 4.169 4.340 0.002 0.000 0.209 556 L C 2.743 179.558 176.870 -0.092 0.000 1.083 556 L CA 1.536 56.374 54.840 -0.003 0.000 0.752 556 L CB -0.897 41.171 42.059 0.015 0.000 0.899 556 L HN 0.376 nan 8.230 nan 0.000 0.433 557 A N -0.468 122.131 122.820 -0.369 0.000 1.933 557 A HA -0.271 4.050 4.320 0.002 0.000 0.218 557 A C 2.017 179.549 177.584 -0.087 0.000 1.175 557 A CA 1.599 53.218 52.037 -0.696 0.000 0.628 557 A CB -0.960 17.288 19.000 -1.254 0.000 0.814 557 A HN 0.638 nan 8.150 nan 0.000 0.444 558 W N 0.574 121.801 121.300 -0.122 0.000 2.381 558 W HA -0.112 4.549 4.660 0.002 0.000 0.301 558 W C 1.736 178.267 176.519 0.020 0.000 1.205 558 W CA 1.715 59.058 57.345 -0.004 0.000 1.285 558 W CB -0.224 29.245 29.460 0.016 0.000 1.133 558 W HN 0.286 nan 8.180 nan 0.000 0.521 559 I N -0.190 120.322 120.570 -0.097 0.000 2.226 559 I HA -0.314 3.857 4.170 0.002 0.000 0.245 559 I C 2.397 178.380 176.117 -0.223 0.000 1.100 559 I CA 1.562 62.589 61.300 -0.455 0.000 1.374 559 I CB -0.844 36.801 38.000 -0.591 0.000 1.057 559 I HN -0.029 nan 8.210 nan 0.000 0.413 560 F N 1.777 121.636 119.950 -0.152 0.000 2.095 560 F HA -0.194 4.334 4.527 0.002 0.000 0.298 560 F C 2.351 178.140 175.800 -0.017 0.000 1.104 560 F CA 1.844 59.847 58.000 0.006 0.000 1.232 560 F CB -0.812 38.316 39.000 0.214 0.000 0.987 560 F HN 0.005 nan 8.300 nan 0.000 0.475 561 G N 0.162 109.101 108.800 0.232 0.000 2.422 561 G HA2 -0.227 3.734 3.960 0.002 0.000 0.218 561 G HA3 -0.227 3.734 3.960 0.002 0.000 0.218 561 G C 1.817 176.638 174.900 -0.132 0.000 1.146 561 G CA 0.492 45.640 45.100 0.081 0.000 0.769 561 G HN 0.175 nan 8.290 nan 0.000 0.547 562 R N 0.211 120.512 120.500 -0.331 0.000 2.092 562 R HA 0.075 4.416 4.340 0.002 0.000 0.231 562 R C 2.570 178.790 176.300 -0.134 0.000 1.119 562 R CA 0.602 56.513 56.100 -0.314 0.000 0.970 562 R CB -0.813 29.220 30.300 -0.445 0.000 0.864 562 R HN 0.455 nan 8.270 nan 0.000 0.440 563 I N 1.284 121.792 120.570 -0.104 0.000 2.264 563 I HA -0.288 3.883 4.170 0.002 0.000 0.248 563 I C 2.085 178.138 176.117 -0.106 0.000 1.111 563 I CA 1.393 62.641 61.300 -0.087 0.000 1.382 563 I CB -0.259 37.642 38.000 -0.166 0.000 1.060 563 I HN 0.184 nan 8.210 nan 0.000 0.418 564 Q N 0.451 120.180 119.800 -0.119 0.000 2.488 564 Q HA 0.017 4.358 4.340 0.002 0.000 0.211 564 Q C 1.390 177.364 176.000 -0.044 0.000 0.967 564 Q CA 0.699 56.460 55.803 -0.069 0.000 0.926 564 Q CB 0.192 28.927 28.738 -0.006 0.000 0.992 564 Q HN 0.692 nan 8.270 nan 0.000 0.506 565 G N 1.524 110.286 108.800 -0.063 0.000 2.132 565 G HA2 -0.275 3.686 3.960 0.002 0.000 0.234 565 G HA3 -0.275 3.686 3.960 0.002 0.000 0.234 565 G C -0.179 174.682 174.900 -0.065 0.000 0.989 565 G CA -0.298 44.763 45.100 -0.064 0.000 0.676 565 G HN 0.199 nan 8.290 nan 0.000 0.522 566 R N 0.067 120.528 120.500 -0.065 0.000 2.594 566 R HA 0.285 4.626 4.340 0.002 0.000 0.272 566 R C -0.182 176.080 176.300 -0.064 0.000 1.074 566 R CA -0.203 55.873 56.100 -0.040 0.000 1.105 566 R CB 0.476 30.771 30.300 -0.008 0.000 1.008 566 R HN 0.126 nan 8.270 nan 0.000 0.472 567 D N 1.721 122.105 120.400 -0.027 0.000 2.713 567 D HA 0.005 4.646 4.640 0.002 0.000 0.229 567 D C 0.175 176.493 176.300 0.030 0.000 1.136 567 D CA 0.007 53.990 54.000 -0.028 0.000 1.010 567 D CB 0.021 40.817 40.800 -0.008 0.000 1.084 567 D HN 0.555 nan 8.370 nan 0.000 0.495 568 T N -1.535 113.056 114.554 0.063 0.000 3.252 568 T HA 0.634 4.985 4.350 0.002 0.000 0.286 568 T C 0.365 175.310 174.700 0.409 0.000 1.013 568 T CA -0.518 61.718 62.100 0.226 0.000 0.914 568 T CB 0.490 69.530 68.868 0.287 0.000 1.131 568 T HN 0.174 nan 8.240 nan 0.000 0.529 569 A N 1.959 124.935 122.820 0.260 0.000 2.423 569 A HA 0.925 5.246 4.320 0.002 0.000 0.304 569 A C -0.436 177.357 177.584 0.347 0.000 1.104 569 A CA -1.435 50.825 52.037 0.372 0.000 0.757 569 A CB 1.559 20.779 19.000 0.367 0.000 1.313 569 A HN 0.622 nan 8.150 nan 0.000 0.423 570 R N 0.656 121.427 120.500 0.451 0.000 2.795 570 R HA 0.763 5.104 4.340 0.002 0.000 0.275 570 R C -3.179 173.425 176.300 0.507 0.000 0.981 570 R CA -1.856 54.516 56.100 0.454 0.000 0.917 570 R CB 2.116 32.549 30.300 0.221 0.000 1.202 570 R HN 0.438 nan 8.270 nan 0.000 0.469 571 P HA 0.166 nan 4.420 nan 0.000 0.282 571 P C -0.846 176.483 177.300 0.049 0.000 1.249 571 P CA -0.211 62.899 63.100 0.018 0.000 0.806 571 P CB 1.791 33.366 31.700 -0.209 0.000 0.984 572 T N -1.835 112.740 114.554 0.035 0.000 2.838 572 T HA 0.489 4.840 4.350 0.002 0.000 0.292 572 T C -2.331 172.376 174.700 0.012 0.000 1.113 572 T CA -2.069 60.041 62.100 0.017 0.000 1.008 572 T CB 0.951 69.822 68.868 0.005 0.000 1.259 572 T HN -0.010 nan 8.240 nan 0.000 0.520 573 P HA 0.082 nan 4.420 nan 0.000 0.223 573 P C 1.008 178.201 177.300 -0.178 0.000 1.144 573 P CA 0.536 63.577 63.100 -0.097 0.000 0.783 573 P CB -0.021 31.593 31.700 -0.143 0.000 0.771 574 I N -3.094 117.333 120.570 -0.239 0.000 3.854 574 I HA 0.348 4.519 4.170 0.002 0.000 0.312 574 I C 1.332 177.282 176.117 -0.279 0.000 1.273 574 I CA 0.498 61.595 61.300 -0.340 0.000 1.298 574 I CB -0.623 37.126 38.000 -0.418 0.000 1.071 574 I HN -0.017 nan 8.210 nan 0.000 0.428 575 G N -0.261 108.251 108.800 -0.479 0.000 2.350 575 G HA2 0.009 3.970 3.960 0.002 0.000 0.282 575 G HA3 0.009 3.970 3.960 0.002 0.000 0.282 575 G C -2.053 172.495 174.900 -0.586 0.000 1.314 575 G CA -1.022 43.451 45.100 -1.045 0.000 0.915 575 G HN 0.046 nan 8.290 nan 0.000 0.499 576 W N 0.473 121.611 121.300 -0.269 0.000 2.261 576 W HA 0.536 5.197 4.660 0.002 0.000 0.323 576 W C 0.798 177.385 176.519 0.114 0.000 1.243 576 W CA 0.020 57.413 57.345 0.081 0.000 1.210 576 W CB 1.556 31.148 29.460 0.219 0.000 1.149 576 W HN 0.602 nan 8.180 nan 0.000 0.562 577 V N 0.878 120.970 119.914 0.296 0.000 3.001 577 V HA 0.676 4.797 4.120 0.002 0.000 0.314 577 V C -2.568 173.379 176.094 -0.245 0.000 1.099 577 V CA -3.584 58.657 62.300 -0.097 0.000 0.989 577 V CB 1.558 33.176 31.823 -0.341 0.000 1.040 577 V HN 0.273 nan 8.190 nan 0.000 0.434 578 P HA 0.207 nan 4.420 nan 0.000 0.268 578 P C -0.669 176.459 177.300 -0.287 0.000 1.205 578 P CA -0.003 62.650 63.100 -0.744 0.000 0.771 578 P CB 0.234 31.154 31.700 -1.300 0.000 0.858 579 K N 1.720 122.096 120.400 -0.040 0.000 2.382 579 K HA 0.020 4.341 4.320 0.002 0.000 0.275 579 K C 0.620 177.091 176.600 -0.215 0.000 1.009 579 K CA -0.081 56.168 56.287 -0.063 0.000 0.970 579 K CB 0.266 32.777 32.500 0.018 0.000 0.934 579 K HN 0.482 nan 8.250 nan 0.000 0.479 580 E N 0.729 120.604 120.200 -0.541 0.000 2.529 580 E HA -0.101 4.250 4.350 0.002 0.000 0.259 580 E C 0.781 177.189 176.600 -0.320 0.000 0.966 580 E CA 1.059 56.945 56.400 -0.857 0.000 0.937 580 E CB 0.126 29.178 29.700 -1.079 0.000 0.923 580 E HN 0.757 nan 8.360 nan 0.000 0.468 581 G N 4.462 113.154 108.800 -0.179 0.000 2.258 581 G HA2 -0.235 3.726 3.960 0.002 0.000 0.233 581 G HA3 -0.235 3.726 3.960 0.002 0.000 0.233 581 G C 0.640 175.553 174.900 0.022 0.000 1.006 581 G CA 0.259 45.327 45.100 -0.052 0.000 0.620 581 G HN 0.665 nan 8.290 nan 0.000 0.511 582 D N -0.169 120.252 120.400 0.035 0.000 2.349 582 D HA 0.245 4.886 4.640 0.002 0.000 0.214 582 D C 0.639 177.050 176.300 0.186 0.000 1.063 582 D CA 0.102 54.190 54.000 0.146 0.000 0.847 582 D CB 0.708 41.639 40.800 0.219 0.000 0.933 582 D HN 0.415 nan 8.370 nan 0.000 0.513 583 L N 1.668 122.938 121.223 0.079 0.000 2.265 583 L HA 0.266 4.607 4.340 0.002 0.000 0.289 583 L C -0.460 176.494 176.870 0.139 0.000 1.033 583 L CA -0.606 54.292 54.840 0.097 0.000 0.814 583 L CB 1.423 43.522 42.059 0.067 0.000 1.203 583 L HN -0.309 nan 8.230 nan 0.000 0.423 584 D N 4.977 125.461 120.400 0.138 0.000 2.342 584 D HA 0.090 4.731 4.640 0.002 0.000 0.260 584 D C 0.466 176.854 176.300 0.146 0.000 1.278 584 D CA 0.348 54.421 54.000 0.121 0.000 0.910 584 D CB 0.547 41.401 40.800 0.090 0.000 1.079 584 D HN 0.648 nan 8.370 nan 0.000 0.496 585 L N 2.930 124.234 121.223 0.134 0.000 2.700 585 L HA 0.299 4.640 4.340 0.002 0.000 0.234 585 L C 1.436 178.340 176.870 0.056 0.000 1.156 585 L CA -0.523 54.390 54.840 0.123 0.000 0.946 585 L CB 0.423 42.578 42.059 0.160 0.000 1.216 585 L HN 0.325 nan 8.230 nan 0.000 0.493 586 G N -0.397 108.436 108.800 0.055 0.000 2.340 586 G HA2 0.345 4.306 3.960 0.002 0.000 0.245 586 G HA3 0.345 4.306 3.960 0.002 0.000 0.245 586 G C 1.089 176.000 174.900 0.017 0.000 1.294 586 G CA 0.575 45.697 45.100 0.037 0.000 0.896 586 G HN 0.415 nan 8.290 nan 0.000 0.522 587 G N 0.994 109.795 108.800 0.002 0.000 2.176 587 G HA2 -0.240 3.721 3.960 0.002 0.000 0.253 587 G HA3 -0.240 3.721 3.960 0.002 0.000 0.253 587 G C 0.382 175.243 174.900 -0.065 0.000 0.979 587 G CA 0.311 45.403 45.100 -0.013 0.000 0.641 587 G HN 0.865 nan 8.290 nan 0.000 0.530 588 L N 1.623 122.794 121.223 -0.087 0.000 2.599 588 L HA 0.287 4.628 4.340 0.002 0.000 0.241 588 L C -0.652 176.171 176.870 -0.079 0.000 1.207 588 L CA -1.604 53.143 54.840 -0.154 0.000 0.987 588 L CB 1.168 43.083 42.059 -0.240 0.000 1.318 588 L HN -0.015 nan 8.230 nan 0.000 0.458 589 P HA -0.111 nan 4.420 nan 0.000 0.220 589 P C 1.308 178.596 177.300 -0.019 0.000 1.148 589 P CA 0.954 64.038 63.100 -0.026 0.000 0.803 589 P CB 0.407 32.092 31.700 -0.024 0.000 0.782 590 G N -0.234 108.544 108.800 -0.037 0.000 2.777 590 G HA2 0.098 4.059 3.960 0.002 0.000 0.211 590 G HA3 0.098 4.059 3.960 0.002 0.000 0.211 590 G C 0.432 175.331 174.900 -0.003 0.000 1.149 590 G CA -0.012 45.075 45.100 -0.022 0.000 0.785 590 G HN 0.172 nan 8.290 nan 0.000 0.536 591 V N 1.081 120.994 119.914 -0.001 0.000 2.461 591 V HA 0.272 4.393 4.120 0.002 0.000 0.275 591 V C -0.777 175.374 176.094 0.095 0.000 1.047 591 V CA -0.677 61.653 62.300 0.050 0.000 0.955 591 V CB 1.468 33.323 31.823 0.054 0.000 0.988 591 V HN 0.263 nan 8.190 nan 0.000 0.471 592 D N 2.521 122.984 120.400 0.104 0.000 2.349 592 D HA 0.248 4.889 4.640 0.002 0.000 0.232 592 D C 0.594 176.993 176.300 0.166 0.000 1.071 592 D CA -0.519 53.557 54.000 0.127 0.000 0.832 592 D CB 0.964 41.817 40.800 0.089 0.000 1.086 592 D HN 0.515 nan 8.370 nan 0.000 0.504 593 Y N 3.508 123.876 120.300 0.114 0.000 2.102 593 Y HA -0.320 4.231 4.550 0.002 0.000 0.280 593 Y C 2.194 178.217 175.900 0.206 0.000 1.178 593 Y CA 2.481 60.686 58.100 0.176 0.000 1.146 593 Y CB -0.278 38.268 38.460 0.143 0.000 0.968 593 Y HN 0.513 nan 8.280 nan 0.000 0.504 594 S N -0.491 115.326 115.700 0.195 0.000 2.402 594 S HA -0.243 4.228 4.470 0.002 0.000 0.229 594 S C 1.766 176.356 174.600 -0.016 0.000 1.021 594 S CA 1.370 59.629 58.200 0.097 0.000 0.974 594 S CB -0.619 62.678 63.200 0.161 0.000 0.800 594 S HN 0.709 nan 8.310 nan 0.000 0.484 595 Q N 0.611 120.398 119.800 -0.021 0.000 2.291 595 Q HA 0.164 4.505 4.340 0.002 0.000 0.205 595 Q C 1.976 177.872 176.000 -0.174 0.000 0.970 595 Q CA 0.926 56.692 55.803 -0.062 0.000 0.876 595 Q CB -0.393 28.334 28.738 -0.019 0.000 0.935 595 Q HN 0.602 nan 8.270 nan 0.000 0.455 596 L N -1.149 119.891 121.223 -0.306 0.000 2.341 596 L HA 0.016 4.357 4.340 0.002 0.000 0.214 596 L C 0.305 176.506 176.870 -1.115 0.000 1.115 596 L CA 0.481 54.902 54.840 -0.698 0.000 0.820 596 L CB 0.233 41.760 42.059 -0.887 0.000 0.944 596 L HN 0.107 nan 8.230 nan 0.000 0.452 597 F N 0.616 120.369 119.950 -0.329 0.000 2.542 597 F HA 0.335 4.863 4.527 0.002 0.000 0.323 597 F C -2.081 173.636 175.800 -0.137 0.000 1.411 597 F CA -2.250 55.589 58.000 -0.268 0.000 1.124 597 F CB 0.034 38.788 39.000 -0.410 0.000 1.331 597 F HN -0.145 nan 8.300 nan 0.000 0.560 598 P HA 0.129 nan 4.420 nan 0.000 0.272 598 P C -0.231 177.130 177.300 0.101 0.000 1.223 598 P CA -0.012 63.092 63.100 0.008 0.000 0.784 598 P CB 1.230 32.885 31.700 -0.075 0.000 0.923 599 M N 1.950 121.625 119.600 0.126 0.000 1.986 599 M HA 0.238 4.719 4.480 0.002 0.000 0.247 599 M C -0.467 175.960 176.300 0.212 0.000 0.851 599 M CA -0.013 55.404 55.300 0.195 0.000 0.785 599 M CB 0.521 33.203 32.600 0.136 0.000 1.554 599 M HN 0.308 nan 8.290 nan 0.000 0.361 600 E N 1.321 121.691 120.200 0.283 0.000 2.073 600 E HA 0.219 4.570 4.350 0.002 0.000 0.269 600 E C 0.796 177.602 176.600 0.344 0.000 0.917 600 E CA -0.286 56.247 56.400 0.221 0.000 0.757 600 E CB 2.281 32.043 29.700 0.103 0.000 1.111 600 E HN 0.390 nan 8.360 nan 0.000 0.410 601 K N 2.879 123.430 120.400 0.253 0.000 2.032 601 K HA -0.174 4.147 4.320 0.002 0.000 0.209 601 K C 1.839 178.570 176.600 0.219 0.000 1.048 601 K CA 1.764 58.197 56.287 0.244 0.000 0.927 601 K CB -0.190 32.398 32.500 0.145 0.000 0.712 601 K HN 0.639 nan 8.250 nan 0.000 0.441 602 G N 0.498 109.388 108.800 0.150 0.000 2.422 602 G HA2 -0.279 3.682 3.960 0.002 0.000 0.218 602 G HA3 -0.279 3.682 3.960 0.002 0.000 0.218 602 G C 1.342 176.279 174.900 0.061 0.000 1.146 602 G CA 0.687 45.842 45.100 0.092 0.000 0.769 602 G HN 0.438 nan 8.290 nan 0.000 0.547 603 F N 0.130 120.038 119.950 -0.070 0.000 2.102 603 F HA -0.061 4.467 4.527 0.002 0.000 0.298 603 F C 2.309 177.946 175.800 -0.271 0.000 1.105 603 F CA 1.550 59.410 58.000 -0.234 0.000 1.239 603 F CB -0.169 38.590 39.000 -0.401 0.000 0.991 603 F HN 0.213 nan 8.300 nan 0.000 0.474 604 W N 1.015 122.344 121.300 0.049 0.000 2.436 604 W HA -0.027 4.634 4.660 0.002 0.000 0.284 604 W C 2.362 178.824 176.519 -0.096 0.000 1.225 604 W CA 1.067 58.388 57.345 -0.040 0.000 1.271 604 W CB -0.390 29.144 29.460 0.123 0.000 1.114 604 W HN 0.045 nan 8.180 nan 0.000 0.559 605 E N 0.360 120.638 120.200 0.130 0.000 2.051 605 E HA -0.278 4.073 4.350 0.002 0.000 0.192 605 E C 1.847 178.426 176.600 -0.034 0.000 0.991 605 E CA 1.639 58.074 56.400 0.057 0.000 0.799 605 E CB -0.205 29.525 29.700 0.050 0.000 0.748 605 E HN 0.164 nan 8.360 nan 0.000 0.449 606 E N 1.276 121.396 120.200 -0.134 0.000 2.077 606 E HA -0.237 4.114 4.350 0.002 0.000 0.193 606 E C 1.856 178.312 176.600 -0.240 0.000 0.989 606 E CA 1.461 57.749 56.400 -0.186 0.000 0.800 606 E CB -0.050 29.512 29.700 -0.232 0.000 0.746 606 E HN 0.099 nan 8.360 nan 0.000 0.452 607 E N -0.393 119.564 120.200 -0.406 0.000 2.085 607 E HA -0.181 4.170 4.350 0.002 0.000 0.194 607 E C 1.945 178.499 176.600 -0.077 0.000 0.994 607 E CA 1.736 57.923 56.400 -0.355 0.000 0.801 607 E CB -0.624 28.762 29.700 -0.522 0.000 0.743 607 E HN 0.412 nan 8.360 nan 0.000 0.453 608 C N 0.131 119.446 119.300 0.025 0.000 2.446 608 C HA -0.008 4.453 4.460 0.002 0.000 0.277 608 C C 2.571 177.583 174.990 0.035 0.000 1.275 608 C CA 0.802 59.872 59.018 0.087 0.000 1.727 608 C CB -0.953 26.854 27.740 0.111 0.000 2.010 608 C HN 0.450 nan 8.230 nan 0.000 0.486 609 R N 0.442 120.942 120.500 0.000 0.000 2.083 609 R HA -0.192 4.149 4.340 0.002 0.000 0.237 609 R C 2.337 178.628 176.300 -0.015 0.000 1.137 609 R CA 1.597 57.693 56.100 -0.006 0.000 0.951 609 R CB -0.404 29.884 30.300 -0.020 0.000 0.851 609 R HN 0.679 nan 8.270 nan 0.000 0.434 610 Q N 0.340 120.116 119.800 -0.039 0.000 2.124 610 Q HA -0.119 4.222 4.340 0.002 0.000 0.202 610 Q C 2.265 178.242 176.000 -0.038 0.000 0.977 610 Q CA 1.143 56.931 55.803 -0.025 0.000 0.850 610 Q CB -0.062 28.652 28.738 -0.040 0.000 0.901 610 Q HN 0.357 nan 8.270 nan 0.000 0.429 611 L N 0.091 121.265 121.223 -0.081 0.000 2.046 611 L HA -0.196 4.145 4.340 0.002 0.000 0.208 611 L C 2.492 179.212 176.870 -0.250 0.000 1.077 611 L CA 1.178 55.852 54.840 -0.275 0.000 0.747 611 L CB -0.323 41.610 42.059 -0.210 0.000 0.896 611 L HN 0.155 nan 8.230 nan 0.000 0.432 612 R N -0.157 120.331 120.500 -0.020 0.000 2.091 612 R HA -0.231 4.110 4.340 0.002 0.000 0.238 612 R C 2.252 178.577 176.300 0.041 0.000 1.136 612 R CA 1.716 57.858 56.100 0.070 0.000 0.959 612 R CB -0.305 30.037 30.300 0.069 0.000 0.856 612 R HN 0.263 nan 8.270 nan 0.000 0.437 613 E N 0.440 120.646 120.200 0.011 0.000 2.051 613 E HA -0.234 4.117 4.350 0.002 0.000 0.192 613 E C 1.750 178.357 176.600 0.011 0.000 0.991 613 E CA 1.393 57.803 56.400 0.017 0.000 0.799 613 E CB -0.433 29.279 29.700 0.020 0.000 0.748 613 E HN 0.375 nan 8.360 nan 0.000 0.449 614 Y N -0.065 120.124 120.300 -0.185 0.000 2.114 614 Y HA -0.236 4.315 4.550 0.001 0.000 0.284 614 Y C 1.962 177.835 175.900 -0.046 0.000 1.143 614 Y CA 2.180 60.118 58.100 -0.271 0.000 1.135 614 Y CB -0.756 37.246 38.460 -0.763 0.000 0.980 614 Y HN 0.178 nan 8.280 nan 0.000 0.499 615 Y N -0.482 119.728 120.300 -0.150 0.000 2.145 615 Y HA -0.172 4.379 4.550 0.002 0.000 0.286 615 Y C 2.761 178.619 175.900 -0.070 0.000 1.145 615 Y CA 0.380 58.395 58.100 -0.143 0.000 1.148 615 Y CB -0.828 37.589 38.460 -0.072 0.000 0.981 615 Y HN 0.241 nan 8.280 nan 0.000 0.507 616 G N 0.136 109.003 108.800 0.112 0.000 2.491 616 G HA2 -0.254 3.707 3.960 0.002 0.000 0.218 616 G HA3 -0.254 3.707 3.960 0.002 0.000 0.218 616 G C 1.478 176.380 174.900 0.003 0.000 1.180 616 G CA 1.214 46.345 45.100 0.052 0.000 0.774 616 G HN 0.264 nan 8.290 nan 0.000 0.562 617 E N 0.772 120.951 120.200 -0.034 0.000 2.072 617 E HA -0.060 4.291 4.350 0.002 0.000 0.190 617 E C 2.266 178.797 176.600 -0.115 0.000 0.982 617 E CA 1.126 57.490 56.400 -0.061 0.000 0.803 617 E CB -0.241 29.431 29.700 -0.045 0.000 0.755 617 E HN 0.525 nan 8.360 nan 0.000 0.453 618 N N -1.262 117.316 118.700 -0.203 0.000 2.368 618 N HA 0.079 4.820 4.740 0.002 0.000 0.178 618 N C 1.119 176.357 175.510 -0.454 0.000 1.076 618 N CA 0.235 53.081 53.050 -0.341 0.000 0.889 618 N CB 0.205 38.389 38.487 -0.505 0.000 1.040 618 N HN 0.008 nan 8.380 nan 0.000 0.463 619 F N 0.010 119.823 119.950 -0.228 0.000 2.553 619 F HA 0.376 4.904 4.527 0.002 0.000 0.282 619 F C 1.943 177.668 175.800 -0.124 0.000 1.089 619 F CA 0.429 58.327 58.000 -0.171 0.000 1.411 619 F CB -0.336 38.568 39.000 -0.160 0.000 1.125 619 F HN -0.001 nan 8.300 nan 0.000 0.610 620 G N 1.292 110.138 108.800 0.076 0.000 2.634 620 G HA2 -0.399 3.562 3.960 0.002 0.000 0.309 620 G HA3 -0.399 3.562 3.960 0.002 0.000 0.309 620 G C 1.341 176.256 174.900 0.026 0.000 1.265 620 G CA 0.671 45.786 45.100 0.026 0.000 0.998 620 G HN 0.654 nan 8.290 nan 0.000 0.551 621 A N -0.948 121.873 122.820 0.001 0.000 2.172 621 A HA 0.177 4.498 4.320 0.002 0.000 0.216 621 A C 1.822 179.407 177.584 0.002 0.000 1.154 621 A CA 2.193 54.227 52.037 -0.005 0.000 0.701 621 A CB -0.266 18.724 19.000 -0.015 0.000 0.789 621 A HN 0.543 nan 8.150 nan 0.000 0.465 622 D N -0.917 119.496 120.400 0.021 0.000 2.355 622 D HA 0.077 4.718 4.640 0.002 0.000 0.218 622 D C 0.325 176.675 176.300 0.083 0.000 1.004 622 D CA 0.073 54.098 54.000 0.041 0.000 0.880 622 D CB -0.105 40.708 40.800 0.022 0.000 0.911 622 D HN 0.383 nan 8.370 nan 0.000 0.528 623 L N 1.941 123.195 121.223 0.051 0.000 2.410 623 L HA 0.231 4.572 4.340 0.002 0.000 0.273 623 L C -2.258 174.547 176.870 -0.108 0.000 1.144 623 L CA -1.247 53.529 54.840 -0.108 0.000 0.863 623 L CB 0.472 42.382 42.059 -0.249 0.000 1.140 623 L HN -0.257 nan 8.230 nan 0.000 0.463 624 P HA 0.088 nan 4.420 nan 0.000 0.265 624 P C -0.030 177.217 177.300 -0.088 0.000 1.193 624 P CA -0.242 62.819 63.100 -0.064 0.000 0.765 624 P CB 0.631 32.312 31.700 -0.032 0.000 0.823 625 R N 3.373 123.842 120.500 -0.052 0.000 2.119 625 R HA -0.214 4.127 4.340 0.002 0.000 0.246 625 R C 1.154 177.420 176.300 -0.056 0.000 1.146 625 R CA 2.031 58.100 56.100 -0.052 0.000 0.962 625 R CB -1.280 29.002 30.300 -0.030 0.000 0.863 625 R HN 0.410 nan 8.270 nan 0.000 0.442 626 D N -0.660 119.722 120.400 -0.029 0.000 2.182 626 D HA -0.120 4.521 4.640 0.002 0.000 0.201 626 D C 1.836 178.118 176.300 -0.031 0.000 0.986 626 D CA 1.482 55.477 54.000 -0.009 0.000 0.847 626 D CB -0.044 40.783 40.800 0.045 0.000 0.942 626 D HN 0.160 nan 8.370 nan 0.000 0.467 627 V N 0.706 120.579 119.914 -0.069 0.000 2.307 627 V HA -0.224 3.897 4.120 0.002 0.000 0.245 627 V C 2.309 178.313 176.094 -0.150 0.000 1.045 627 V CA 1.286 63.531 62.300 -0.093 0.000 1.024 627 V CB -0.378 31.297 31.823 -0.247 0.000 0.651 627 V HN 0.148 nan 8.190 nan 0.000 0.449 628 M N 1.068 120.561 119.600 -0.178 0.000 2.159 628 M HA -0.064 4.417 4.480 0.002 0.000 0.263 628 M C 2.015 178.245 176.300 -0.117 0.000 1.063 628 M CA 2.015 57.243 55.300 -0.121 0.000 1.110 628 M CB -0.838 31.707 32.600 -0.092 0.000 1.374 628 M HN 0.268 nan 8.290 nan 0.000 0.411 629 A N -0.379 122.374 122.820 -0.112 0.000 1.902 629 A HA -0.139 4.182 4.320 0.002 0.000 0.217 629 A C 2.054 179.529 177.584 -0.181 0.000 1.181 629 A CA 1.758 53.728 52.037 -0.112 0.000 0.623 629 A CB -0.725 18.231 19.000 -0.073 0.000 0.818 629 A HN 0.540 nan 8.150 nan 0.000 0.443 630 E N -0.466 119.588 120.200 -0.243 0.000 2.072 630 E HA -0.161 4.190 4.350 0.002 0.000 0.191 630 E C 1.977 178.122 176.600 -0.759 0.000 0.985 630 E CA 1.055 57.189 56.400 -0.443 0.000 0.801 630 E CB -0.525 28.933 29.700 -0.404 0.000 0.750 630 E HN 0.494 nan 8.360 nan 0.000 0.452 631 L N 1.940 122.735 121.223 -0.713 0.000 2.012 631 L HA -0.202 4.139 4.340 0.002 0.000 0.210 631 L C 1.895 178.631 176.870 -0.223 0.000 1.073 631 L CA 1.898 56.473 54.840 -0.442 0.000 0.748 631 L CB -0.525 41.543 42.059 0.015 0.000 0.891 631 L HN 0.049 nan 8.230 nan 0.000 0.431 632 E N -0.796 119.303 120.200 -0.168 0.000 2.110 632 E HA -0.169 4.182 4.350 0.002 0.000 0.193 632 E C 2.082 178.603 176.600 -0.132 0.000 0.988 632 E CA 0.966 57.300 56.400 -0.111 0.000 0.804 632 E CB -0.533 29.114 29.700 -0.088 0.000 0.745 632 E HN 0.693 nan 8.360 nan 0.000 0.458 633 G N 1.428 110.117 108.800 -0.186 0.000 2.418 633 G HA2 -0.259 3.702 3.960 0.002 0.000 0.217 633 G HA3 -0.259 3.702 3.960 0.002 0.000 0.217 633 G C 1.550 176.343 174.900 -0.178 0.000 1.158 633 G CA 0.616 45.604 45.100 -0.186 0.000 0.771 633 G HN 0.155 nan 8.290 nan 0.000 0.545 634 L N 0.766 121.863 121.223 -0.209 0.000 2.017 634 L HA -0.006 4.335 4.340 0.002 0.000 0.208 634 L C 2.632 179.457 176.870 -0.075 0.000 1.073 634 L CA 2.181 56.940 54.840 -0.136 0.000 0.745 634 L CB -0.730 41.279 42.059 -0.083 0.000 0.894 634 L HN 0.379 nan 8.230 nan 0.000 0.432 635 E N -0.629 119.539 120.200 -0.054 0.000 2.085 635 E HA -0.301 4.050 4.350 0.002 0.000 0.194 635 E C 2.073 178.654 176.600 -0.031 0.000 0.994 635 E CA 1.489 57.878 56.400 -0.017 0.000 0.801 635 E CB -0.156 29.538 29.700 -0.010 0.000 0.743 635 E HN 0.661 nan 8.360 nan 0.000 0.453 636 E N 0.964 121.129 120.200 -0.059 0.000 2.051 636 E HA -0.197 4.154 4.350 0.002 0.000 0.192 636 E C 2.109 178.672 176.600 -0.062 0.000 0.991 636 E CA 0.858 57.222 56.400 -0.060 0.000 0.799 636 E CB 0.122 29.775 29.700 -0.078 0.000 0.748 636 E HN 0.119 nan 8.360 nan 0.000 0.449 637 R N -0.049 120.402 120.500 -0.081 0.000 2.096 637 R HA -0.094 4.247 4.340 0.002 0.000 0.235 637 R C 2.424 178.691 176.300 -0.055 0.000 1.127 637 R CA 1.216 57.267 56.100 -0.081 0.000 0.968 637 R CB -0.149 30.090 30.300 -0.101 0.000 0.861 637 R HN 0.142 nan 8.270 nan 0.000 0.440 638 V N 0.875 120.765 119.914 -0.040 0.000 2.427 638 V HA -0.195 3.926 4.120 0.002 0.000 0.248 638 V C 2.279 178.388 176.094 0.025 0.000 1.051 638 V CA 1.510 63.816 62.300 0.009 0.000 1.048 638 V CB -0.466 31.395 31.823 0.064 0.000 0.666 638 V HN 0.280 nan 8.190 nan 0.000 0.456 639 R N 0.081 120.586 120.500 0.008 0.000 2.105 639 R HA -0.206 4.135 4.340 0.002 0.000 0.239 639 R C 2.392 178.696 176.300 0.006 0.000 1.135 639 R CA 1.600 57.706 56.100 0.009 0.000 0.967 639 R CB -0.286 30.012 30.300 -0.003 0.000 0.861 639 R HN 0.423 nan 8.270 nan 0.000 0.442 640 K N 0.812 121.208 120.400 -0.006 0.000 2.288 640 K HA -0.048 4.273 4.320 0.002 0.000 0.201 640 K C 1.210 177.813 176.600 0.004 0.000 1.048 640 K CA 0.484 56.765 56.287 -0.009 0.000 0.956 640 K CB 0.150 32.633 32.500 -0.027 0.000 0.746 640 K HN 0.124 nan 8.250 nan 0.000 0.461 641 M N 0.000 119.609 119.600 0.015 0.000 2.572 641 M HA 0.000 4.481 4.480 0.002 0.000 0.227 641 M CA 0.000 55.319 55.300 0.032 0.000 0.988 641 M CB 0.000 32.625 32.600 0.042 0.000 1.302 641 M HN 0.000 nan 8.290 nan 0.000 0.411