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 2fah_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 FMGSAMRSEA DATA SEQUENCE TAAAEHKGGR 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 0.000 176.893 176.870 0.038 0.000 1.165 34 L CA 0.000 54.877 54.840 0.062 0.000 0.813 34 L CB 0.000 42.112 42.059 0.088 0.000 0.961 35 S N -1.006 114.713 115.700 0.030 0.000 2.579 35 S HA 0.561 5.186 4.470 0.257 0.000 0.272 35 S C 0.401 175.002 174.600 0.000 0.000 1.141 35 S CA 0.280 58.487 58.200 0.013 0.000 0.843 35 S CB 1.946 65.152 63.200 0.010 0.000 1.122 35 S HN 0.788 nan 8.310 nan 0.000 0.468 36 T N -0.388 114.161 114.554 -0.008 0.000 3.065 36 T HA 0.165 4.669 4.350 0.257 0.000 0.252 36 T C 0.713 175.403 174.700 -0.017 0.000 1.099 36 T CA 0.453 62.541 62.100 -0.020 0.000 1.063 36 T CB -0.436 68.419 68.868 -0.022 0.000 0.948 36 T HN 0.631 nan 8.240 nan 0.000 0.506 37 S N 1.634 117.327 115.700 -0.011 0.000 2.474 37 S HA 0.486 5.110 4.470 0.257 0.000 0.276 37 S C 0.453 175.047 174.600 -0.010 0.000 1.227 37 S CA -0.866 57.328 58.200 -0.010 0.000 1.050 37 S CB 0.615 63.811 63.200 -0.007 0.000 0.939 37 S HN 0.397 nan 8.310 nan 0.000 0.490 38 L N 2.619 123.835 121.223 -0.013 0.000 2.818 38 L HA 0.201 4.695 4.340 0.257 0.000 0.243 38 L C 1.877 178.740 176.870 -0.013 0.000 1.185 38 L CA -0.229 54.602 54.840 -0.014 0.000 0.988 38 L CB -0.270 41.778 42.059 -0.018 0.000 1.292 38 L HN 0.672 nan 8.230 nan 0.000 0.519 39 S N 1.117 116.811 115.700 -0.011 0.000 2.383 39 S HA -0.196 4.428 4.470 0.257 0.000 0.229 39 S C 2.243 176.836 174.600 -0.012 0.000 1.030 39 S CA 1.558 59.752 58.200 -0.010 0.000 1.002 39 S CB -0.018 63.177 63.200 -0.008 0.000 0.829 39 S HN 0.569 nan 8.310 nan 0.000 0.467 40 A N 0.789 123.602 122.820 -0.013 0.000 2.125 40 A HA 0.114 4.589 4.320 0.257 0.000 0.219 40 A C 0.842 178.410 177.584 -0.026 0.000 1.156 40 A CA 0.597 52.623 52.037 -0.017 0.000 0.671 40 A CB -0.497 18.493 19.000 -0.016 0.000 0.794 40 A HN 0.443 nan 8.150 nan 0.000 0.459 41 L N 1.697 122.904 121.223 -0.026 0.000 2.455 41 L HA 0.186 4.680 4.340 0.257 0.000 0.272 41 L C -1.964 174.887 176.870 -0.032 0.000 1.174 41 L CA -1.689 53.127 54.840 -0.038 0.000 0.869 41 L CB 0.579 42.621 42.059 -0.029 0.000 1.130 41 L HN 0.162 nan 8.230 nan 0.000 0.474 42 P HA 0.115 nan 4.420 nan 0.000 0.276 42 P C 0.192 177.493 177.300 0.001 0.000 1.252 42 P CA -0.440 62.646 63.100 -0.024 0.000 0.802 42 P CB 1.083 32.761 31.700 -0.036 0.000 1.035 43 A N 2.343 125.175 122.820 0.020 0.000 1.896 43 A HA -0.276 4.198 4.320 0.257 0.000 0.220 43 A C 2.283 179.915 177.584 0.079 0.000 1.206 43 A CA 3.078 55.139 52.037 0.041 0.000 0.647 43 A CB -1.891 17.131 19.000 0.037 0.000 0.828 43 A HN 0.606 nan 8.150 nan 0.000 0.455 44 A N -0.795 122.091 122.820 0.109 0.000 1.933 44 A HA 0.159 4.633 4.320 0.257 0.000 0.218 44 A C 2.457 180.240 177.584 0.332 0.000 1.175 44 A CA 2.239 54.409 52.037 0.220 0.000 0.628 44 A CB -0.872 18.301 19.000 0.289 0.000 0.814 44 A HN 1.193 nan 8.150 nan 0.000 0.444 45 A N -0.597 122.301 122.820 0.130 0.000 1.930 45 A HA -0.003 4.471 4.320 0.257 0.000 0.215 45 A C 2.176 179.852 177.584 0.153 0.000 1.176 45 A CA 1.241 53.308 52.037 0.050 0.000 0.632 45 A CB -0.334 18.511 19.000 -0.259 0.000 0.819 45 A HN 0.497 nan 8.150 nan 0.000 0.445 46 R N 0.182 120.734 120.500 0.086 0.000 2.073 46 R HA -0.125 4.369 4.340 0.257 0.000 0.234 46 R C 1.608 177.960 176.300 0.086 0.000 1.134 46 R CA 1.712 57.848 56.100 0.060 0.000 0.952 46 R CB -0.340 29.980 30.300 0.033 0.000 0.850 46 R HN 0.455 nan 8.270 nan 0.000 0.433 47 D N -0.051 120.426 120.400 0.127 0.000 2.123 47 D HA -0.206 4.588 4.640 0.257 0.000 0.196 47 D C 1.577 177.983 176.300 0.177 0.000 0.992 47 D CA 1.079 55.156 54.000 0.128 0.000 0.833 47 D CB -0.292 40.587 40.800 0.131 0.000 0.954 47 D HN 0.108 nan 8.370 nan 0.000 0.455 48 F N 1.651 121.665 119.950 0.108 0.000 2.102 48 F HA -0.186 4.496 4.527 0.257 0.000 0.298 48 F C 2.179 178.025 175.800 0.076 0.000 1.105 48 F CA 0.905 58.972 58.000 0.112 0.000 1.239 48 F CB -0.602 38.533 39.000 0.227 0.000 0.991 48 F HN -0.209 nan 8.300 nan 0.000 0.474 49 V N 0.853 120.642 119.914 -0.208 0.000 2.295 49 V HA -0.308 3.966 4.120 0.257 0.000 0.246 49 V C 2.349 178.323 176.094 -0.200 0.000 1.049 49 V CA 2.303 64.420 62.300 -0.304 0.000 1.024 49 V CB -0.812 30.936 31.823 -0.124 0.000 0.648 49 V HN 0.351 nan 8.190 nan 0.000 0.447 50 E N -0.172 119.974 120.200 -0.090 0.000 2.048 50 E HA -0.318 4.186 4.350 0.257 0.000 0.202 50 E C 2.342 178.902 176.600 -0.068 0.000 1.021 50 E CA 1.773 58.138 56.400 -0.057 0.000 0.825 50 E CB -0.268 29.422 29.700 -0.016 0.000 0.756 50 E HN 0.649 nan 8.360 nan 0.000 0.454 51 E N 0.287 120.452 120.200 -0.057 0.000 2.097 51 E HA -0.249 4.255 4.350 0.257 0.000 0.196 51 E C 2.034 178.575 176.600 -0.099 0.000 1.000 51 E CA 1.087 57.459 56.400 -0.047 0.000 0.804 51 E CB -0.072 29.635 29.700 0.012 0.000 0.740 51 E HN 0.242 nan 8.360 nan 0.000 0.454 52 A N 0.373 123.068 122.820 -0.209 0.000 1.930 52 A HA -0.112 4.362 4.320 0.257 0.000 0.217 52 A C 2.389 179.906 177.584 -0.112 0.000 1.175 52 A CA 1.266 53.175 52.037 -0.213 0.000 0.627 52 A CB -0.477 18.282 19.000 -0.401 0.000 0.815 52 A HN 0.213 nan 8.150 nan 0.000 0.443 53 V N 0.082 119.930 119.914 -0.110 0.000 2.307 53 V HA -0.238 4.037 4.120 0.257 0.000 0.245 53 V C 2.596 178.665 176.094 -0.041 0.000 1.045 53 V CA 2.123 64.382 62.300 -0.069 0.000 1.024 53 V CB -0.776 31.005 31.823 -0.070 0.000 0.651 53 V HN 0.530 nan 8.190 nan 0.000 0.449 54 R N -0.553 119.923 120.500 -0.040 0.000 2.120 54 R HA -0.143 4.352 4.340 0.257 0.000 0.234 54 R C 2.154 178.446 176.300 -0.014 0.000 1.123 54 R CA 1.374 57.459 56.100 -0.024 0.000 0.975 54 R CB -0.411 29.876 30.300 -0.023 0.000 0.866 54 R HN 0.389 nan 8.270 nan 0.000 0.446 55 L N -0.213 121.003 121.223 -0.013 0.000 2.049 55 L HA -0.056 4.439 4.340 0.257 0.000 0.203 55 L C 1.869 178.769 176.870 0.050 0.000 1.074 55 L CA 1.712 56.559 54.840 0.012 0.000 0.749 55 L CB -0.247 41.811 42.059 -0.002 0.000 0.907 55 L HN 0.092 nan 8.230 nan 0.000 0.439 56 C N -0.668 118.666 119.300 0.057 0.000 2.533 56 C HA 0.269 4.883 4.460 0.257 0.000 0.272 56 C C 1.136 176.150 174.990 0.039 0.000 1.371 56 C CA -0.240 58.832 59.018 0.091 0.000 1.758 56 C CB -0.949 26.862 27.740 0.118 0.000 1.972 56 C HN 0.604 nan 8.230 nan 0.000 0.522 57 R N -0.318 120.188 120.500 0.010 0.000 3.205 57 R HA -0.142 4.352 4.340 0.257 0.000 0.249 57 R C -2.602 173.687 176.300 -0.017 0.000 0.937 57 R CA 0.210 56.305 56.100 -0.007 0.000 0.641 57 R CB -1.630 28.668 30.300 -0.003 0.000 1.114 57 R HN 0.461 nan 8.270 nan 0.000 0.451 58 P HA -0.033 nan 4.420 nan 0.000 0.272 58 P C -0.012 177.256 177.300 -0.054 0.000 1.230 58 P CA -0.197 62.873 63.100 -0.049 0.000 0.788 58 P CB 0.841 32.498 31.700 -0.071 0.000 0.949 59 R N 0.734 121.197 120.500 -0.061 0.000 2.062 59 R HA -0.052 4.442 4.340 0.257 0.000 0.229 59 R C 0.755 177.014 176.300 -0.069 0.000 1.128 59 R CA 1.231 57.297 56.100 -0.056 0.000 0.960 59 R CB 0.242 30.511 30.300 -0.052 0.000 0.855 59 R HN 0.642 nan 8.270 nan 0.000 0.432 60 E N -0.555 119.585 120.200 -0.100 0.000 2.336 60 E HA 0.434 4.938 4.350 0.257 0.000 0.267 60 E C -1.371 175.137 176.600 -0.153 0.000 0.906 60 E CA -1.052 55.278 56.400 -0.116 0.000 0.781 60 E CB 2.536 32.163 29.700 -0.121 0.000 1.261 60 E HN -0.163 nan 8.360 nan 0.000 0.436 61 V N 2.233 122.068 119.914 -0.132 0.000 2.444 61 V HA 0.398 4.672 4.120 0.257 0.000 0.294 61 V C -0.651 175.369 176.094 -0.124 0.000 1.022 61 V CA -0.667 61.552 62.300 -0.135 0.000 0.850 61 V CB 1.090 32.859 31.823 -0.090 0.000 0.992 61 V HN 0.545 nan 8.190 nan 0.000 0.426 62 L N 5.173 126.306 121.223 -0.150 0.000 2.385 62 L HA 0.591 5.086 4.340 0.257 0.000 0.273 62 L C -0.848 176.027 176.870 0.009 0.000 0.990 62 L CA -0.741 54.052 54.840 -0.078 0.000 0.821 62 L CB 2.140 44.132 42.059 -0.112 0.000 1.279 62 L HN 0.479 nan 8.230 nan 0.000 0.412 63 L N 3.111 124.349 121.223 0.026 0.000 2.265 63 L HA 0.448 4.942 4.340 0.257 0.000 0.288 63 L C -0.391 176.521 176.870 0.070 0.000 1.058 63 L CA 0.100 54.967 54.840 0.045 0.000 0.809 63 L CB 0.881 42.951 42.059 0.019 0.000 1.179 63 L HN 0.647 nan 8.230 nan 0.000 0.429 64 C N 3.868 123.222 119.300 0.089 0.000 2.536 64 C HA 0.367 4.982 4.460 0.257 0.000 0.396 64 C C 1.119 176.136 174.990 0.045 0.000 1.279 64 C CA -0.290 58.773 59.018 0.075 0.000 2.148 64 C CB 0.280 28.064 27.740 0.073 0.000 2.584 64 C HN 0.934 nan 8.230 nan 0.000 0.579 65 D N -0.488 119.932 120.400 0.032 0.000 2.441 65 D HA 0.224 5.019 4.640 0.257 0.000 0.210 65 D C 1.405 177.716 176.300 0.018 0.000 1.102 65 D CA 0.566 54.579 54.000 0.022 0.000 0.840 65 D CB -0.238 40.573 40.800 0.018 0.000 0.990 65 D HN 0.931 nan 8.370 nan 0.000 0.505 66 G N 0.691 109.499 108.800 0.013 0.000 2.168 66 G HA2 -0.302 3.812 3.960 0.257 0.000 0.257 66 G HA3 -0.302 3.812 3.960 0.257 0.000 0.257 66 G C 0.462 175.365 174.900 0.005 0.000 0.997 66 G CA 0.653 45.757 45.100 0.006 0.000 0.708 66 G HN 0.843 nan 8.290 nan 0.000 0.520 67 S N -1.084 114.620 115.700 0.007 0.000 2.600 67 S HA 0.494 5.118 4.470 0.257 0.000 0.265 67 S C 1.190 175.794 174.600 0.007 0.000 1.325 67 S CA 0.518 58.724 58.200 0.010 0.000 1.002 67 S CB 1.901 65.108 63.200 0.012 0.000 0.921 67 S HN 0.473 nan 8.310 nan 0.000 0.554 68 E N 0.750 120.959 120.200 0.014 0.000 2.077 68 E HA -0.204 4.301 4.350 0.257 0.000 0.193 68 E C 1.546 178.155 176.600 0.015 0.000 0.989 68 E CA 1.556 57.967 56.400 0.019 0.000 0.800 68 E CB -0.235 29.483 29.700 0.029 0.000 0.746 68 E HN 0.824 nan 8.360 nan 0.000 0.452 69 E N 0.876 121.086 120.200 0.016 0.000 2.085 69 E HA -0.248 4.257 4.350 0.257 0.000 0.194 69 E C 1.909 178.511 176.600 0.005 0.000 0.994 69 E CA 1.520 57.928 56.400 0.014 0.000 0.801 69 E CB -0.251 29.459 29.700 0.017 0.000 0.743 69 E HN 0.412 nan 8.360 nan 0.000 0.453 70 E N 0.560 120.761 120.200 0.001 0.000 2.051 70 E HA -0.177 4.327 4.350 0.257 0.000 0.192 70 E C 2.230 178.808 176.600 -0.037 0.000 0.991 70 E CA 1.321 57.717 56.400 -0.008 0.000 0.799 70 E CB -0.424 29.274 29.700 -0.003 0.000 0.748 70 E HN 0.300 nan 8.360 nan 0.000 0.449 71 G N 1.244 110.021 108.800 -0.039 0.000 2.476 71 G HA2 -0.316 3.798 3.960 0.257 0.000 0.218 71 G HA3 -0.316 3.798 3.960 0.257 0.000 0.218 71 G C 1.541 176.391 174.900 -0.084 0.000 1.164 71 G CA 1.190 46.250 45.100 -0.066 0.000 0.768 71 G HN 0.234 nan 8.290 nan 0.000 0.560 72 K N 0.176 120.553 120.400 -0.039 0.000 2.057 72 K HA -0.083 4.392 4.320 0.257 0.000 0.207 72 K C 2.372 178.936 176.600 -0.059 0.000 1.049 72 K CA 1.280 57.548 56.287 -0.031 0.000 0.931 72 K CB -0.196 32.315 32.500 0.019 0.000 0.714 72 K HN 0.475 nan 8.250 nan 0.000 0.440 73 E N 1.259 121.436 120.200 -0.039 0.000 2.038 73 E HA -0.207 4.297 4.350 0.257 0.000 0.195 73 E C 2.016 178.578 176.600 -0.063 0.000 1.000 73 E CA 1.138 57.520 56.400 -0.030 0.000 0.803 73 E CB -0.032 29.666 29.700 -0.003 0.000 0.750 73 E HN 0.199 nan 8.360 nan 0.000 0.448 74 L N 0.461 121.625 121.223 -0.098 0.000 2.083 74 L HA -0.192 4.302 4.340 0.257 0.000 0.209 74 L C 2.589 179.334 176.870 -0.207 0.000 1.083 74 L CA 0.765 55.517 54.840 -0.146 0.000 0.752 74 L CB -0.339 41.602 42.059 -0.195 0.000 0.899 74 L HN 0.248 nan 8.230 nan 0.000 0.433 75 L N -0.657 120.390 121.223 -0.294 0.000 2.046 75 L HA -0.201 4.293 4.340 0.257 0.000 0.208 75 L C 2.824 179.449 176.870 -0.409 0.000 1.077 75 L CA 1.299 55.819 54.840 -0.534 0.000 0.747 75 L CB -0.403 41.182 42.059 -0.790 0.000 0.896 75 L HN 0.186 nan 8.230 nan 0.000 0.432 76 R N -0.293 120.079 120.500 -0.214 0.000 2.075 76 R HA -0.085 4.410 4.340 0.257 0.000 0.232 76 R C 2.402 178.664 176.300 -0.063 0.000 1.126 76 R CA 1.204 57.248 56.100 -0.092 0.000 0.963 76 R CB -0.738 29.547 30.300 -0.025 0.000 0.858 76 R HN 0.407 nan 8.270 nan 0.000 0.435 77 G N 0.959 109.722 108.800 -0.062 0.000 2.421 77 G HA2 -0.233 3.881 3.960 0.257 0.000 0.216 77 G HA3 -0.233 3.881 3.960 0.257 0.000 0.216 77 G C 1.399 176.278 174.900 -0.035 0.000 1.171 77 G CA 0.521 45.604 45.100 -0.029 0.000 0.775 77 G HN 0.134 nan 8.290 nan 0.000 0.543 78 L N -0.209 120.970 121.223 -0.073 0.000 2.141 78 L HA -0.070 4.424 4.340 0.257 0.000 0.209 78 L C 2.970 179.815 176.870 -0.042 0.000 1.094 78 L CA 1.246 56.054 54.840 -0.053 0.000 0.763 78 L CB -0.301 41.718 42.059 -0.066 0.000 0.908 78 L HN 0.331 nan 8.230 nan 0.000 0.437 79 Q N 0.004 119.771 119.800 -0.056 0.000 2.079 79 Q HA -0.214 4.280 4.340 0.257 0.000 0.200 79 Q C 1.638 177.646 176.000 0.013 0.000 0.974 79 Q CA 1.575 57.382 55.803 0.007 0.000 0.840 79 Q CB 0.164 28.958 28.738 0.093 0.000 0.898 79 Q HN 0.415 nan 8.270 nan 0.000 0.430 80 D N 0.843 121.250 120.400 0.012 0.000 2.182 80 D HA -0.155 4.639 4.640 0.257 0.000 0.201 80 D C 1.127 177.436 176.300 0.015 0.000 0.986 80 D CA 1.188 55.199 54.000 0.019 0.000 0.847 80 D CB -0.173 40.636 40.800 0.016 0.000 0.942 80 D HN 0.345 nan 8.370 nan 0.000 0.467 81 D N -0.818 119.586 120.400 0.006 0.000 2.317 81 D HA 0.072 4.867 4.640 0.257 0.000 0.211 81 D C 1.627 177.937 176.300 0.016 0.000 0.966 81 D CA 1.021 55.028 54.000 0.010 0.000 0.876 81 D CB 0.199 41.002 40.800 0.005 0.000 0.927 81 D HN 0.297 nan 8.370 nan 0.000 0.519 82 G N 0.301 109.099 108.800 -0.004 0.000 2.143 82 G HA2 -0.311 3.804 3.960 0.257 0.000 0.249 82 G HA3 -0.311 3.804 3.960 0.257 0.000 0.249 82 G C 1.166 176.033 174.900 -0.056 0.000 0.981 82 G CA 0.454 45.538 45.100 -0.026 0.000 0.665 82 G HN 0.319 nan 8.290 nan 0.000 0.528 83 V N -0.038 119.867 119.914 -0.015 0.000 2.446 83 V HA 0.284 4.558 4.120 0.257 0.000 0.244 83 V C 1.614 177.746 176.094 0.062 0.000 1.039 83 V CA 1.476 63.829 62.300 0.088 0.000 1.045 83 V CB -0.063 31.831 31.823 0.117 0.000 0.681 83 V HN 0.389 nan 8.190 nan 0.000 0.459 84 L N -0.061 121.148 121.223 -0.023 0.000 2.325 84 L HA 0.516 5.010 4.340 0.257 0.000 0.278 84 L C -0.842 175.984 176.870 -0.074 0.000 1.023 84 L CA -0.543 54.348 54.840 0.084 0.000 0.811 84 L CB 1.434 43.593 42.059 0.166 0.000 1.249 84 L HN 0.315 nan 8.230 nan 0.000 0.431 85 H N 2.212 121.518 119.070 0.394 0.000 2.495 85 H HA 0.394 5.104 4.556 0.256 0.000 0.348 85 H C -2.357 173.175 175.328 0.340 0.000 1.113 85 H CA -1.846 54.394 56.048 0.320 0.000 1.195 85 H CB 1.320 31.211 29.762 0.214 0.000 1.521 85 H HN 0.342 nan 8.280 nan 0.000 0.509 86 P HA 0.097 nan 4.420 nan 0.000 0.274 86 P C -0.570 176.658 177.300 -0.121 0.000 1.237 86 P CA -0.383 62.604 63.100 -0.188 0.000 0.793 86 P CB 1.447 33.000 31.700 -0.244 0.000 0.977 87 L N 2.691 123.758 121.223 -0.261 0.000 2.495 87 L HA 0.268 4.762 4.340 0.257 0.000 0.248 87 L C -1.441 175.286 176.870 -0.239 0.000 1.229 87 L CA -1.549 53.207 54.840 -0.140 0.000 0.942 87 L CB 1.627 43.728 42.059 0.070 0.000 1.242 87 L HN 0.209 nan 8.230 nan 0.000 0.484 88 P HA -0.170 nan 4.420 nan 0.000 0.228 88 P C 1.267 178.412 177.300 -0.258 0.000 1.151 88 P CA 0.807 63.777 63.100 -0.216 0.000 0.770 88 P CB 0.361 31.967 31.700 -0.156 0.000 0.786 89 K N -0.807 119.334 120.400 -0.432 0.000 2.283 89 K HA -0.065 4.409 4.320 0.257 0.000 0.202 89 K C 0.661 176.918 176.600 -0.572 0.000 1.048 89 K CA 0.913 56.848 56.287 -0.586 0.000 0.948 89 K CB -0.171 31.805 32.500 -0.872 0.000 0.742 89 K HN 0.234 nan 8.250 nan 0.000 0.458 90 Y N -0.555 119.714 120.300 -0.052 0.000 2.772 90 Y HA 0.282 4.988 4.550 0.261 0.000 0.324 90 Y C -0.009 175.872 175.900 -0.032 0.000 1.169 90 Y CA -2.135 55.953 58.100 -0.021 0.000 1.198 90 Y CB 0.164 38.641 38.460 0.028 0.000 1.402 90 Y HN -0.192 nan 8.280 nan 0.000 0.577 91 D N 0.830 121.347 120.400 0.195 0.000 2.454 91 D HA 0.138 4.933 4.640 0.257 0.000 0.225 91 D C -0.459 175.906 176.300 0.108 0.000 1.081 91 D CA -0.247 53.816 54.000 0.105 0.000 0.864 91 D CB -0.338 40.519 40.800 0.096 0.000 1.040 91 D HN 0.605 nan 8.370 nan 0.000 0.517 92 N N 2.541 121.276 118.700 0.059 0.000 2.738 92 N HA -0.201 4.694 4.740 0.257 0.000 0.249 92 N C -1.539 174.056 175.510 0.142 0.000 1.047 92 N CA 0.503 53.633 53.050 0.134 0.000 0.707 92 N CB -1.552 37.082 38.487 0.246 0.000 0.937 92 N HN 0.323 nan 8.380 nan 0.000 0.545 93 C N 0.123 119.380 119.300 -0.072 0.000 2.435 93 C HA 0.816 5.431 4.460 0.257 0.000 0.333 93 C C -0.126 174.741 174.990 -0.205 0.000 1.202 93 C CA -0.489 58.598 59.018 0.115 0.000 1.830 93 C CB 0.427 28.403 27.740 0.392 0.000 2.326 93 C HN 0.522 nan 8.230 nan 0.000 0.507 94 W N 1.678 123.197 121.300 0.365 0.000 3.107 94 W HA 0.655 5.467 4.660 0.254 0.000 0.331 94 W C -0.940 175.834 176.519 0.426 0.000 1.204 94 W CA -0.637 56.904 57.345 0.327 0.000 1.184 94 W CB 1.055 30.653 29.460 0.229 0.000 1.421 94 W HN 0.364 nan 8.180 nan 0.000 0.544 95 L N 2.738 124.335 121.223 0.623 0.000 2.341 95 L HA 0.933 5.427 4.340 0.257 0.000 0.278 95 L C -0.579 176.628 176.870 0.562 0.000 1.005 95 L CA -0.752 54.423 54.840 0.558 0.000 0.818 95 L CB 1.140 43.456 42.059 0.429 0.000 1.259 95 L HN 0.514 nan 8.230 nan 0.000 0.418 96 A N 5.438 128.557 122.820 0.498 0.000 2.325 96 A HA 0.891 5.366 4.320 0.257 0.000 0.333 96 A C -0.535 177.221 177.584 0.287 0.000 1.155 96 A CA -0.712 51.581 52.037 0.427 0.000 0.814 96 A CB 0.882 20.152 19.000 0.451 0.000 1.206 96 A HN 0.772 nan 8.150 nan 0.000 0.482 97 R N 0.466 121.113 120.500 0.246 0.000 2.637 97 R HA 0.637 5.131 4.340 0.257 0.000 0.291 97 R C -0.351 175.885 176.300 -0.107 0.000 0.963 97 R CA -0.426 55.745 56.100 0.118 0.000 0.901 97 R CB 2.129 32.532 30.300 0.171 0.000 1.160 97 R HN 0.869 nan 8.270 nan 0.000 0.457 98 T N -2.311 112.044 114.554 -0.333 0.000 2.950 98 T HA 0.188 4.692 4.350 0.257 0.000 0.288 98 T C -0.022 174.505 174.700 -0.288 0.000 1.035 98 T CA -0.972 60.600 62.100 -0.880 0.000 1.028 98 T CB 1.599 69.546 68.868 -1.536 0.000 1.109 98 T HN 0.404 nan 8.240 nan 0.000 0.514 99 D N 1.604 121.879 120.400 -0.209 0.000 2.493 99 D HA 0.092 4.887 4.640 0.257 0.000 0.240 99 D C -1.420 174.899 176.300 0.033 0.000 1.142 99 D CA -1.478 52.545 54.000 0.038 0.000 0.872 99 D CB 1.331 42.254 40.800 0.205 0.000 1.173 99 D HN 0.235 nan 8.370 nan 0.000 0.467 100 P HA -0.081 nan 4.420 nan 0.000 0.223 100 P C 0.866 178.232 177.300 0.109 0.000 1.144 100 P CA 0.983 64.229 63.100 0.243 0.000 0.783 100 P CB 0.195 32.022 31.700 0.211 0.000 0.771 101 R N -1.155 119.387 120.500 0.071 0.000 2.275 101 R HA 0.031 4.525 4.340 0.257 0.000 0.199 101 R C 0.324 176.639 176.300 0.026 0.000 0.989 101 R CA 0.532 56.661 56.100 0.050 0.000 1.016 101 R CB -0.186 30.154 30.300 0.065 0.000 0.918 101 R HN 0.095 nan 8.270 nan 0.000 0.473 102 D N 0.244 120.649 120.400 0.008 0.000 2.441 102 D HA 0.074 4.869 4.640 0.257 0.000 0.287 102 D C 0.394 176.597 176.300 -0.162 0.000 1.198 102 D CA -0.279 53.733 54.000 0.019 0.000 0.894 102 D CB 1.128 42.081 40.800 0.256 0.000 1.070 102 D HN -0.033 nan 8.370 nan 0.000 0.499 103 V N -0.200 119.512 119.914 -0.337 0.000 3.451 103 V HA 0.835 5.110 4.120 0.257 0.000 0.288 103 V C 0.540 176.045 176.094 -0.981 0.000 1.502 103 V CA 0.382 62.316 62.300 -0.611 0.000 1.026 103 V CB -0.079 31.212 31.823 -0.886 0.000 0.840 103 V HN 0.373 nan 8.190 nan 0.000 0.437 104 A N 0.094 122.256 122.820 -1.098 0.000 2.564 104 A HA 0.749 5.223 4.320 0.257 0.000 0.291 104 A C -0.570 176.648 177.584 -0.610 0.000 1.102 104 A CA -1.072 50.260 52.037 -1.175 0.000 0.660 104 A CB 0.975 19.713 19.000 -0.436 0.000 1.283 104 A HN 0.235 nan 8.150 nan 0.000 0.430 105 R N -0.559 119.869 120.500 -0.120 0.000 2.734 105 R HA 0.407 4.901 4.340 0.257 0.000 0.266 105 R C -0.956 175.347 176.300 0.004 0.000 1.044 105 R CA 0.007 56.178 56.100 0.119 0.000 1.128 105 R CB 0.467 30.898 30.300 0.219 0.000 1.010 105 R HN 0.376 nan 8.270 nan 0.000 0.461 106 V N 2.882 122.826 119.914 0.050 0.000 2.305 106 V HA 0.081 4.355 4.120 0.257 0.000 0.275 106 V C 0.651 176.762 176.094 0.028 0.000 1.020 106 V CA -0.339 61.965 62.300 0.007 0.000 0.811 106 V CB 1.017 32.860 31.823 0.034 0.000 1.031 106 V HN 0.831 nan 8.190 nan 0.000 0.439 107 E N 2.073 122.260 120.200 -0.021 0.000 2.110 107 E HA -0.174 4.330 4.350 0.257 0.000 0.193 107 E C 2.088 178.715 176.600 0.045 0.000 0.988 107 E CA 1.509 57.917 56.400 0.015 0.000 0.804 107 E CB 0.076 29.794 29.700 0.029 0.000 0.745 107 E HN 0.841 nan 8.360 nan 0.000 0.458 108 S N 0.656 116.375 115.700 0.032 0.000 2.515 108 S HA -0.053 4.572 4.470 0.257 0.000 0.231 108 S C 1.501 176.140 174.600 0.064 0.000 0.987 108 S CA 0.722 58.953 58.200 0.052 0.000 0.936 108 S CB 0.019 63.242 63.200 0.040 0.000 0.766 108 S HN 0.089 nan 8.310 nan 0.000 0.528 109 K N 0.963 121.408 120.400 0.075 0.000 2.414 109 K HA 0.217 4.692 4.320 0.257 0.000 0.204 109 K C -0.610 176.070 176.600 0.134 0.000 1.026 109 K CA -0.033 56.314 56.287 0.099 0.000 1.108 109 K CB 0.927 33.488 32.500 0.101 0.000 0.855 109 K HN 0.217 nan 8.250 nan 0.000 0.517 110 T N 1.750 116.385 114.554 0.134 0.000 2.771 110 T HA 0.378 4.883 4.350 0.257 0.000 0.281 110 T C -0.376 174.426 174.700 0.171 0.000 0.982 110 T CA -0.683 61.529 62.100 0.188 0.000 0.978 110 T CB 1.534 70.515 68.868 0.189 0.000 0.930 110 T HN 0.008 nan 8.240 nan 0.000 0.447 111 V N 1.634 121.678 119.914 0.217 0.000 3.040 111 V HA 0.759 5.033 4.120 0.257 0.000 0.312 111 V C -1.211 175.000 176.094 0.194 0.000 1.115 111 V CA -1.328 61.063 62.300 0.151 0.000 0.998 111 V CB 1.801 33.668 31.823 0.072 0.000 1.042 111 V HN 0.763 nan 8.190 nan 0.000 0.433 112 L N 2.884 124.177 121.223 0.117 0.000 2.305 112 L HA 0.678 5.172 4.340 0.257 0.000 0.284 112 L C -0.727 176.158 176.870 0.025 0.000 1.013 112 L CA -0.819 54.092 54.840 0.119 0.000 0.819 112 L CB 1.924 44.079 42.059 0.160 0.000 1.227 112 L HN 0.548 nan 8.230 nan 0.000 0.417 113 V N 2.254 122.131 119.914 -0.061 0.000 2.311 113 V HA 0.534 4.808 4.120 0.257 0.000 0.275 113 V C 0.194 176.293 176.094 0.009 0.000 1.022 113 V CA -0.295 61.904 62.300 -0.168 0.000 0.830 113 V CB 1.261 32.826 31.823 -0.430 0.000 1.012 113 V HN 0.912 nan 8.190 nan 0.000 0.452 114 T N 2.554 117.229 114.554 0.202 0.000 2.900 114 T HA 0.510 5.015 4.350 0.257 0.000 0.303 114 T C -2.367 172.581 174.700 0.413 0.000 1.142 114 T CA -1.932 60.342 62.100 0.289 0.000 1.007 114 T CB 2.562 71.605 68.868 0.291 0.000 1.156 114 T HN 0.229 nan 8.240 nan 0.000 0.490 115 P HA 0.041 nan 4.420 nan 0.000 0.216 115 P C 0.117 177.550 177.300 0.221 0.000 1.150 115 P CA 1.149 64.375 63.100 0.210 0.000 0.837 115 P CB 0.133 31.899 31.700 0.110 0.000 0.786 116 E N -1.798 118.468 120.200 0.110 0.000 2.199 116 E HA 0.157 4.661 4.350 0.257 0.000 0.265 116 E C 0.727 177.104 176.600 -0.371 0.000 0.882 116 E CA -0.405 55.933 56.400 -0.102 0.000 0.759 116 E CB 0.963 30.609 29.700 -0.090 0.000 1.148 116 E HN -0.063 nan 8.360 nan 0.000 0.412 117 Q N 2.067 121.264 119.800 -1.006 0.000 2.133 117 Q HA -0.244 4.250 4.340 0.257 0.000 0.208 117 Q C 1.354 176.978 176.000 -0.628 0.000 0.991 117 Q CA 2.312 57.182 55.803 -1.555 0.000 0.867 117 Q CB 0.001 27.763 28.738 -1.626 0.000 0.911 117 Q HN 0.607 nan 8.270 nan 0.000 0.417 118 S N -0.387 115.079 115.700 -0.391 0.000 2.474 118 S HA -0.125 4.499 4.470 0.257 0.000 0.235 118 S C 1.148 175.676 174.600 -0.120 0.000 0.997 118 S CA 1.040 59.111 58.200 -0.215 0.000 0.949 118 S CB -0.112 62.992 63.200 -0.160 0.000 0.766 118 S HN 0.367 nan 8.310 nan 0.000 0.517 119 D N 2.326 122.666 120.400 -0.100 0.000 2.144 119 D HA 0.064 4.859 4.640 0.257 0.000 0.199 119 D C 2.070 178.402 176.300 0.054 0.000 0.984 119 D CA 1.537 55.537 54.000 -0.001 0.000 0.834 119 D CB -0.376 40.441 40.800 0.028 0.000 0.955 119 D HN 0.604 nan 8.370 nan 0.000 0.465 120 A N -0.100 122.732 122.820 0.020 0.000 1.942 120 A HA 0.287 4.761 4.320 0.257 0.000 0.209 120 A C 0.948 178.528 177.584 -0.006 0.000 1.214 120 A CA 0.744 52.834 52.037 0.089 0.000 0.686 120 A CB 0.331 19.482 19.000 0.251 0.000 0.871 120 A HN 0.125 nan 8.150 nan 0.000 0.460 121 V N -4.935 114.928 119.914 -0.085 0.000 3.147 121 V HA 0.650 4.924 4.120 0.257 0.000 0.306 121 V C -3.469 172.510 176.094 -0.191 0.000 1.209 121 V CA -2.695 59.516 62.300 -0.148 0.000 1.023 121 V CB 1.612 33.384 31.823 -0.085 0.000 1.059 121 V HN 0.051 nan 8.190 nan 0.000 0.435 122 P HA 0.426 nan 4.420 nan 0.000 0.275 122 P C -2.839 174.352 177.300 -0.182 0.000 1.266 122 P CA -1.441 61.527 63.100 -0.220 0.000 0.793 122 P CB -0.546 30.961 31.700 -0.323 0.000 1.074 123 P HA 0.089 nan 4.420 nan 0.000 0.264 123 P C -2.260 174.973 177.300 -0.112 0.000 1.183 123 P CA -0.390 62.640 63.100 -0.118 0.000 0.763 123 P CB -1.219 30.428 31.700 -0.087 0.000 0.807 124 P HA 0.058 nan 4.420 nan 0.000 0.265 124 P C -2.295 174.969 177.300 -0.059 0.000 1.187 124 P CA -0.651 62.413 63.100 -0.061 0.000 0.766 124 P CB -0.886 30.796 31.700 -0.031 0.000 0.820 125 P HA 0.031 nan 4.420 nan 0.000 0.262 125 P C -1.895 175.386 177.300 -0.032 0.000 1.199 125 P CA -0.827 62.241 63.100 -0.054 0.000 0.763 125 P CB -0.327 31.345 31.700 -0.047 0.000 0.790 126 P HA -0.136 nan 4.420 nan 0.000 0.218 126 P C 1.091 178.384 177.300 -0.011 0.000 1.148 126 P CA 1.496 64.585 63.100 -0.019 0.000 0.822 126 P CB -0.039 31.651 31.700 -0.017 0.000 0.784 127 S N -1.942 113.752 115.700 -0.011 0.000 2.561 127 S HA 0.182 4.806 4.470 0.257 0.000 0.225 127 S C 1.680 176.279 174.600 -0.001 0.000 0.977 127 S CA 0.948 59.145 58.200 -0.004 0.000 0.926 127 S CB -0.839 62.360 63.200 -0.003 0.000 0.769 127 S HN 0.362 nan 8.310 nan 0.000 0.533 128 G N 0.910 109.708 108.800 -0.003 0.000 2.176 128 G HA2 -0.195 3.919 3.960 0.257 0.000 0.253 128 G HA3 -0.195 3.919 3.960 0.257 0.000 0.253 128 G C 0.400 175.304 174.900 0.007 0.000 0.979 128 G CA -0.142 44.959 45.100 0.003 0.000 0.641 128 G HN 0.814 nan 8.290 nan 0.000 0.530 129 G N 0.413 109.216 108.800 0.004 0.000 2.684 129 G HA2 0.515 4.630 3.960 0.257 0.000 0.255 129 G HA3 0.515 4.630 3.960 0.257 0.000 0.255 129 G C -1.668 173.239 174.900 0.012 0.000 1.219 129 G CA -0.240 44.866 45.100 0.010 0.000 0.901 129 G HN 0.287 nan 8.290 nan 0.000 0.548 130 P HA 0.197 nan 4.420 nan 0.000 0.268 130 P C -2.228 175.082 177.300 0.017 0.000 1.205 130 P CA -0.928 62.189 63.100 0.027 0.000 0.771 130 P CB 0.325 32.049 31.700 0.041 0.000 0.858 131 P HA 0.034 nan 4.420 nan 0.000 0.268 131 P C -0.031 177.268 177.300 -0.001 0.000 1.205 131 P CA 0.251 63.346 63.100 -0.007 0.000 0.771 131 P CB 0.681 32.387 31.700 0.010 0.000 0.858 132 Q N 1.445 121.225 119.800 -0.033 0.000 2.217 132 Q HA 0.252 4.747 4.340 0.257 0.000 0.217 132 Q C 0.726 176.730 176.000 0.007 0.000 0.844 132 Q CA 0.218 56.025 55.803 0.006 0.000 0.957 132 Q CB 0.502 29.266 28.738 0.045 0.000 1.127 132 Q HN 0.511 nan 8.270 nan 0.000 0.503 133 L N -0.618 120.570 121.223 -0.058 0.000 3.358 133 L HA 0.506 5.000 4.340 0.257 0.000 0.301 133 L C 0.239 177.115 176.870 0.009 0.000 1.276 133 L CA -0.302 54.506 54.840 -0.053 0.000 1.028 133 L CB 1.247 43.093 42.059 -0.355 0.000 1.421 133 L HN 0.103 nan 8.230 nan 0.000 0.604 134 G N 0.181 109.000 108.800 0.032 0.000 2.402 134 G HA2 -0.109 4.005 3.960 0.257 0.000 0.666 134 G HA3 -0.109 4.005 3.960 0.257 0.000 0.666 134 G C -1.479 173.461 174.900 0.066 0.000 1.402 134 G CA -0.985 44.147 45.100 0.053 0.000 0.920 134 G HN 0.202 nan 8.290 nan 0.000 0.651 135 N N 0.171 118.927 118.700 0.094 0.000 2.476 135 N HA 0.459 5.353 4.740 0.257 0.000 0.257 135 N C -0.453 175.156 175.510 0.165 0.000 0.970 135 N CA -0.538 52.582 53.050 0.117 0.000 0.938 135 N CB 1.568 40.110 38.487 0.091 0.000 1.144 135 N HN 0.660 nan 8.380 nan 0.000 0.500 136 W N 4.711 126.020 121.300 0.016 0.000 2.218 136 W HA 0.391 5.204 4.660 0.254 0.000 0.326 136 W C -0.655 175.886 176.519 0.037 0.000 1.276 136 W CA -0.532 56.825 57.345 0.020 0.000 1.210 136 W CB 0.591 30.053 29.460 0.005 0.000 1.143 136 W HN 0.309 nan 8.180 nan 0.000 0.563 137 M N 6.367 125.487 119.600 -0.800 0.000 2.326 137 M HA 0.290 4.924 4.480 0.257 0.000 0.292 137 M C -0.174 175.325 176.300 -1.335 0.000 1.081 137 M CA -0.569 54.203 55.300 -0.881 0.000 0.919 137 M CB 1.558 33.965 32.600 -0.322 0.000 1.634 137 M HN 0.540 nan 8.290 nan 0.000 0.451 138 S N 4.236 119.136 115.700 -1.334 0.000 2.579 138 S HA 0.347 4.971 4.470 0.257 0.000 0.275 138 S C -2.281 172.177 174.600 -0.237 0.000 1.345 138 S CA -0.798 56.961 58.200 -0.735 0.000 1.031 138 S CB 0.509 63.492 63.200 -0.361 0.000 0.892 138 S HN 0.609 nan 8.310 nan 0.000 0.529 139 P HA -0.156 nan 4.420 nan 0.000 0.216 139 P C 1.373 178.725 177.300 0.085 0.000 1.157 139 P CA 1.695 64.842 63.100 0.078 0.000 0.880 139 P CB -0.139 31.614 31.700 0.089 0.000 0.791 140 N N -0.585 118.135 118.700 0.033 0.000 2.120 140 N HA -0.163 4.732 4.740 0.257 0.000 0.188 140 N C 1.636 177.139 175.510 -0.012 0.000 1.024 140 N CA 1.582 54.640 53.050 0.013 0.000 0.852 140 N CB -0.756 37.740 38.487 0.015 0.000 1.003 140 N HN -0.041 nan 8.380 nan 0.000 0.424 141 A N -0.422 122.376 122.820 -0.037 0.000 1.933 141 A HA -0.089 4.386 4.320 0.257 0.000 0.218 141 A C 2.093 179.673 177.584 -0.006 0.000 1.175 141 A CA 1.171 53.178 52.037 -0.049 0.000 0.628 141 A CB -1.113 17.823 19.000 -0.108 0.000 0.814 141 A HN 0.532 nan 8.150 nan 0.000 0.444 142 F N 0.541 120.418 119.950 -0.122 0.000 2.113 142 F HA -0.159 4.523 4.527 0.259 0.000 0.297 142 F C 2.426 178.192 175.800 -0.057 0.000 1.103 142 F CA 2.023 59.971 58.000 -0.087 0.000 1.248 142 F CB -0.324 38.622 39.000 -0.090 0.000 0.999 142 F HN 0.183 nan 8.300 nan 0.000 0.475 143 Q N 0.733 120.395 119.800 -0.231 0.000 2.061 143 Q HA -0.169 4.325 4.340 0.257 0.000 0.204 143 Q C 2.550 178.396 176.000 -0.256 0.000 0.984 143 Q CA 1.687 57.303 55.803 -0.312 0.000 0.846 143 Q CB -1.203 27.465 28.738 -0.116 0.000 0.902 143 Q HN 0.544 nan 8.270 nan 0.000 0.421 144 A N 1.145 123.872 122.820 -0.155 0.000 1.908 144 A HA -0.158 4.316 4.320 0.257 0.000 0.218 144 A C 2.354 179.848 177.584 -0.150 0.000 1.181 144 A CA 2.196 54.160 52.037 -0.122 0.000 0.627 144 A CB -0.780 18.174 19.000 -0.077 0.000 0.818 144 A HN 0.390 nan 8.150 nan 0.000 0.445 145 A N -0.695 122.025 122.820 -0.168 0.000 1.908 145 A HA -0.034 4.441 4.320 0.257 0.000 0.218 145 A C 2.246 179.701 177.584 -0.215 0.000 1.181 145 A CA 1.878 53.819 52.037 -0.160 0.000 0.627 145 A CB -0.967 17.983 19.000 -0.083 0.000 0.818 145 A HN 0.420 nan 8.150 nan 0.000 0.445 146 V N -0.173 119.541 119.914 -0.332 0.000 2.343 146 V HA -0.244 4.031 4.120 0.257 0.000 0.247 146 V C 2.727 178.752 176.094 -0.114 0.000 1.051 146 V CA 2.021 64.186 62.300 -0.224 0.000 1.036 146 V CB -0.666 30.856 31.823 -0.502 0.000 0.654 146 V HN 0.530 nan 8.190 nan 0.000 0.451 147 Q N -0.542 119.163 119.800 -0.158 0.000 2.170 147 Q HA -0.175 4.319 4.340 0.257 0.000 0.203 147 Q C 2.305 178.242 176.000 -0.106 0.000 0.976 147 Q CA 1.147 56.886 55.803 -0.106 0.000 0.858 147 Q CB -0.283 28.395 28.738 -0.100 0.000 0.907 147 Q HN 0.602 nan 8.270 nan 0.000 0.433 148 E N 0.197 120.312 120.200 -0.142 0.000 2.150 148 E HA -0.116 4.389 4.350 0.257 0.000 0.193 148 E C 1.688 178.147 176.600 -0.234 0.000 0.985 148 E CA 0.817 57.123 56.400 -0.155 0.000 0.814 148 E CB 0.305 29.913 29.700 -0.155 0.000 0.752 148 E HN 0.282 nan 8.360 nan 0.000 0.466 149 R N -1.752 118.523 120.500 -0.375 0.000 2.119 149 R HA 0.145 4.640 4.340 0.257 0.000 0.202 149 R C 2.206 178.141 176.300 -0.608 0.000 1.114 149 R CA 0.239 55.839 56.100 -0.832 0.000 1.089 149 R CB -0.173 29.077 30.300 -1.751 0.000 1.000 149 R HN 0.023 nan 8.270 nan 0.000 0.487 150 F N 1.522 121.283 119.950 -0.315 0.000 2.293 150 F HA 0.107 4.786 4.527 0.254 0.000 0.297 150 F C -1.339 174.455 175.800 -0.010 0.000 1.089 150 F CA -0.384 57.585 58.000 -0.051 0.000 1.377 150 F CB -0.839 38.137 39.000 -0.040 0.000 1.051 150 F HN -0.204 nan 8.300 nan 0.000 0.511 151 P HA 0.076 nan 4.420 nan 0.000 0.258 151 P C 0.654 177.982 177.300 0.047 0.000 1.187 151 P CA 1.414 64.550 63.100 0.060 0.000 0.767 151 P CB 0.085 31.794 31.700 0.015 0.000 0.770 152 G N 3.152 111.981 108.800 0.050 0.000 2.166 152 G HA2 -0.391 3.724 3.960 0.257 0.000 0.260 152 G HA3 -0.391 3.724 3.960 0.257 0.000 0.260 152 G C 1.119 176.041 174.900 0.036 0.000 0.986 152 G CA 0.316 45.435 45.100 0.032 0.000 0.683 152 G HN 0.692 nan 8.290 nan 0.000 0.527 153 C N -1.554 117.788 119.300 0.069 0.000 2.432 153 C HA 0.435 5.050 4.460 0.257 0.000 0.282 153 C C 2.317 177.308 174.990 0.001 0.000 1.388 153 C CA 1.341 60.394 59.018 0.058 0.000 1.777 153 C CB -0.633 27.190 27.740 0.137 0.000 1.882 153 C HN 0.491 nan 8.230 nan 0.000 0.520 154 M N 1.338 120.946 119.600 0.012 0.000 2.419 154 M HA 0.308 4.943 4.480 0.257 0.000 0.252 154 M C 1.052 177.338 176.300 -0.024 0.000 1.143 154 M CA -0.053 55.237 55.300 -0.016 0.000 0.985 154 M CB -0.021 32.576 32.600 -0.005 0.000 1.489 154 M HN 0.366 nan 8.290 nan 0.000 0.484 155 A N 0.763 123.574 122.820 -0.016 0.000 2.584 155 A HA 0.340 4.814 4.320 0.257 0.000 0.239 155 A C 1.482 179.050 177.584 -0.027 0.000 1.043 155 A CA 1.088 53.114 52.037 -0.019 0.000 0.756 155 A CB -0.578 18.414 19.000 -0.013 0.000 0.963 155 A HN 0.892 nan 8.150 nan 0.000 0.511 156 G N 2.223 111.006 108.800 -0.029 0.000 2.184 156 G HA2 -0.261 3.853 3.960 0.257 0.000 0.264 156 G HA3 -0.261 3.853 3.960 0.257 0.000 0.264 156 G C 0.367 175.245 174.900 -0.037 0.000 0.975 156 G CA 0.826 45.908 45.100 -0.030 0.000 0.642 156 G HN 0.986 nan 8.290 nan 0.000 0.536 157 R N 0.351 120.824 120.500 -0.045 0.000 2.778 157 R HA 0.533 5.027 4.340 0.257 0.000 0.277 157 R C -2.833 173.411 176.300 -0.094 0.000 0.977 157 R CA -2.084 53.985 56.100 -0.052 0.000 0.950 157 R CB 1.740 32.016 30.300 -0.040 0.000 1.165 157 R HN 0.047 nan 8.270 nan 0.000 0.474 158 P HA 0.097 nan 4.420 nan 0.000 0.275 158 P C -0.935 176.161 177.300 -0.341 0.000 1.228 158 P CA -0.393 62.514 63.100 -0.322 0.000 0.786 158 P CB 0.637 31.984 31.700 -0.587 0.000 0.927 159 L N 3.798 124.838 121.223 -0.306 0.000 2.272 159 L HA 0.434 4.928 4.340 0.257 0.000 0.289 159 L C -1.078 175.626 176.870 -0.277 0.000 1.032 159 L CA -0.661 54.067 54.840 -0.187 0.000 0.810 159 L CB 0.146 42.148 42.059 -0.095 0.000 1.205 159 L HN 0.270 nan 8.230 nan 0.000 0.422 160 Y N 3.968 124.274 120.300 0.010 0.000 2.320 160 Y HA 0.430 5.136 4.550 0.259 0.000 0.334 160 Y C 0.034 175.951 175.900 0.028 0.000 1.055 160 Y CA -0.665 57.443 58.100 0.013 0.000 1.143 160 Y CB 1.689 40.157 38.460 0.013 0.000 1.193 160 Y HN 0.212 nan 8.280 nan 0.000 0.477 161 V N 5.884 125.894 119.914 0.161 0.000 2.350 161 V HA 0.310 4.585 4.120 0.257 0.000 0.276 161 V C -0.119 176.058 176.094 0.139 0.000 1.028 161 V CA -0.678 61.696 62.300 0.124 0.000 0.860 161 V CB 0.549 32.408 31.823 0.060 0.000 0.990 161 V HN 0.582 nan 8.190 nan 0.000 0.453 162 I N 7.526 128.199 120.570 0.170 0.000 2.388 162 I HA 0.352 4.676 4.170 0.257 0.000 0.281 162 I C -2.555 173.707 176.117 0.241 0.000 1.046 162 I CA -1.943 59.463 61.300 0.175 0.000 1.187 162 I CB 1.679 39.767 38.000 0.147 0.000 1.351 162 I HN 0.405 nan 8.210 nan 0.000 0.472 163 P HA 0.276 nan 4.420 nan 0.000 0.282 163 P C -0.947 176.441 177.300 0.148 0.000 1.262 163 P CA -0.051 63.087 63.100 0.063 0.000 0.773 163 P CB 0.353 32.038 31.700 -0.024 0.000 0.879 164 F N -0.075 119.868 119.950 -0.012 0.000 2.613 164 F HA 0.829 5.511 4.527 0.259 0.000 0.314 164 F C -0.804 175.012 175.800 0.027 0.000 1.075 164 F CA -1.301 56.703 58.000 0.007 0.000 0.945 164 F CB 1.386 40.395 39.000 0.016 0.000 1.310 164 F HN 0.164 nan 8.300 nan 0.000 0.467 165 S N 2.334 118.142 115.700 0.179 0.000 2.526 165 S HA 0.748 5.373 4.470 0.257 0.000 0.293 165 S C -1.061 173.683 174.600 0.241 0.000 1.092 165 S CA -0.803 57.461 58.200 0.106 0.000 0.980 165 S CB 0.996 64.227 63.200 0.052 0.000 1.048 165 S HN 0.610 nan 8.310 nan 0.000 0.483 166 M N 3.689 123.445 119.600 0.261 0.000 2.149 166 M HA 0.564 5.199 4.480 0.257 0.000 0.342 166 M C 0.608 176.942 176.300 0.056 0.000 1.068 166 M CA -0.051 55.364 55.300 0.192 0.000 0.991 166 M CB -0.093 32.713 32.600 0.342 0.000 1.596 166 M HN 1.048 nan 8.290 nan 0.000 0.439 167 G N 5.342 114.099 108.800 -0.072 0.000 2.662 167 G HA2 -0.038 4.076 3.960 0.257 0.000 0.686 167 G HA3 -0.038 4.076 3.960 0.257 0.000 0.686 167 G C -3.283 171.563 174.900 -0.090 0.000 1.271 167 G CA -1.407 43.630 45.100 -0.104 0.000 0.816 167 G HN 0.415 nan 8.290 nan 0.000 0.608 168 P HA 0.220 nan 4.420 nan 0.000 0.260 168 P C -1.652 175.591 177.300 -0.096 0.000 1.185 168 P CA -0.730 62.269 63.100 -0.168 0.000 0.763 168 P CB 0.335 31.911 31.700 -0.206 0.000 0.776 169 P HA -0.230 nan 4.420 nan 0.000 0.219 169 P C 1.158 178.429 177.300 -0.047 0.000 1.149 169 P CA 1.910 64.980 63.100 -0.051 0.000 0.835 169 P CB -0.045 31.622 31.700 -0.054 0.000 0.778 170 T N -3.643 110.873 114.554 -0.063 0.000 3.040 170 T HA 0.162 4.666 4.350 0.257 0.000 0.266 170 T C 0.506 175.170 174.700 -0.060 0.000 1.005 170 T CA -0.279 61.787 62.100 -0.057 0.000 0.906 170 T CB -0.486 68.346 68.868 -0.060 0.000 1.082 170 T HN -0.074 nan 8.240 nan 0.000 0.531 171 S N 2.445 118.107 115.700 -0.064 0.000 2.548 171 S HA 0.323 4.947 4.470 0.257 0.000 0.277 171 S C -1.101 173.465 174.600 -0.057 0.000 1.315 171 S CA -1.364 56.799 58.200 -0.063 0.000 1.050 171 S CB 1.205 64.369 63.200 -0.060 0.000 0.918 171 S HN 0.240 nan 8.310 nan 0.000 0.497 172 P HA -0.048 nan 4.420 nan 0.000 0.225 172 P C 0.854 178.070 177.300 -0.139 0.000 1.148 172 P CA 0.922 63.966 63.100 -0.093 0.000 0.779 172 P CB 0.044 31.685 31.700 -0.098 0.000 0.780 173 L N -1.368 119.774 121.223 -0.135 0.000 2.592 173 L HA 0.226 4.720 4.340 0.257 0.000 0.227 173 L C 1.211 178.098 176.870 0.029 0.000 1.127 173 L CA -0.469 54.250 54.840 -0.201 0.000 0.884 173 L CB -0.395 41.545 42.059 -0.198 0.000 1.065 173 L HN -0.149 nan 8.230 nan 0.000 0.457 174 A N 0.869 123.733 122.820 0.073 0.000 2.477 174 A HA 0.366 4.840 4.320 0.257 0.000 0.246 174 A C 0.065 177.775 177.584 0.210 0.000 1.078 174 A CA 0.180 52.324 52.037 0.180 0.000 0.770 174 A CB 0.242 19.284 19.000 0.070 0.000 1.011 174 A HN 0.051 nan 8.150 nan 0.000 0.494 175 K N 1.456 122.085 120.400 0.380 0.000 2.395 175 K HA 0.693 5.168 4.320 0.257 0.000 0.247 175 K C -1.060 175.688 176.600 0.246 0.000 0.973 175 K CA -0.476 56.027 56.287 0.359 0.000 0.828 175 K CB 1.836 34.714 32.500 0.629 0.000 1.272 175 K HN 0.636 nan 8.250 nan 0.000 0.439 176 L N 0.058 121.324 121.223 0.072 0.000 2.333 176 L HA 0.787 5.282 4.340 0.257 0.000 0.269 176 L C 0.447 177.063 176.870 -0.424 0.000 1.010 176 L CA -0.922 53.819 54.840 -0.165 0.000 0.818 176 L CB 2.182 44.179 42.059 -0.104 0.000 1.306 176 L HN 0.782 nan 8.230 nan 0.000 0.430 177 G N 0.378 108.651 108.800 -0.879 0.000 2.684 177 G HA2 0.645 4.760 3.960 0.257 0.000 0.290 177 G HA3 0.645 4.760 3.960 0.257 0.000 0.290 177 G C -1.965 172.539 174.900 -0.660 0.000 1.425 177 G CA -0.416 44.120 45.100 -0.940 0.000 0.822 177 G HN 0.265 nan 8.290 nan 0.000 0.482 178 V N 0.535 120.402 119.914 -0.080 0.000 2.482 178 V HA 0.486 4.760 4.120 0.257 0.000 0.295 178 V C -0.292 176.085 176.094 0.471 0.000 1.026 178 V CA -0.599 61.806 62.300 0.175 0.000 0.856 178 V CB 1.397 33.295 31.823 0.125 0.000 1.001 178 V HN 0.829 nan 8.190 nan 0.000 0.424 179 Q N 3.740 123.864 119.800 0.540 0.000 2.290 179 Q HA 0.695 5.189 4.340 0.257 0.000 0.259 179 Q C -0.771 175.428 176.000 0.332 0.000 0.941 179 Q CA -0.571 55.488 55.803 0.427 0.000 0.912 179 Q CB 2.044 30.930 28.738 0.246 0.000 1.244 179 Q HN 0.778 nan 8.270 nan 0.000 0.441 180 V N 1.088 121.200 119.914 0.330 0.000 2.532 180 V HA 0.881 5.156 4.120 0.257 0.000 0.295 180 V C -0.383 175.857 176.094 0.244 0.000 1.041 180 V CA -0.281 62.142 62.300 0.206 0.000 0.926 180 V CB 1.577 33.426 31.823 0.043 0.000 0.992 180 V HN 0.809 nan 8.190 nan 0.000 0.457 181 T N 1.635 116.334 114.554 0.242 0.000 2.885 181 T HA 0.433 4.937 4.350 0.257 0.000 0.322 181 T C -0.615 174.253 174.700 0.280 0.000 1.387 181 T CA 0.191 62.474 62.100 0.305 0.000 1.041 181 T CB 1.925 70.994 68.868 0.335 0.000 1.287 181 T HN 1.024 nan 8.240 nan 0.000 0.491 182 D N 1.097 121.620 120.400 0.206 0.000 2.388 182 D HA 0.242 5.037 4.640 0.257 0.000 0.221 182 D C 0.295 176.712 176.300 0.195 0.000 1.133 182 D CA -0.199 53.901 54.000 0.167 0.000 0.831 182 D CB 0.290 41.103 40.800 0.022 0.000 0.962 182 D HN 0.249 nan 8.370 nan 0.000 0.502 183 S N 0.596 116.415 115.700 0.197 0.000 2.566 183 S HA 0.423 5.047 4.470 0.257 0.000 0.324 183 S C -2.040 172.522 174.600 -0.063 0.000 1.081 183 S CA -1.503 56.738 58.200 0.068 0.000 1.105 183 S CB 1.678 64.921 63.200 0.072 0.000 0.981 183 S HN -0.267 nan 8.310 nan 0.000 0.464 184 P HA -0.103 nan 4.420 nan 0.000 0.218 184 P C 0.947 178.132 177.300 -0.191 0.000 1.148 184 P CA 0.817 63.698 63.100 -0.365 0.000 0.822 184 P CB -0.088 31.476 31.700 -0.226 0.000 0.784 185 Y N 0.320 120.517 120.300 -0.173 0.000 2.145 185 Y HA -0.209 4.493 4.550 0.253 0.000 0.286 185 Y C 2.028 177.866 175.900 -0.104 0.000 1.145 185 Y CA 1.374 59.420 58.100 -0.089 0.000 1.148 185 Y CB -0.915 37.539 38.460 -0.009 0.000 0.981 185 Y HN -0.289 nan 8.280 nan 0.000 0.507 186 V N -0.558 119.363 119.914 0.012 0.000 2.343 186 V HA -0.322 3.952 4.120 0.257 0.000 0.247 186 V C 2.356 178.312 176.094 -0.231 0.000 1.051 186 V CA 1.741 63.962 62.300 -0.132 0.000 1.036 186 V CB -0.857 30.900 31.823 -0.109 0.000 0.654 186 V HN 0.396 nan 8.190 nan 0.000 0.451 187 V N -0.215 119.557 119.914 -0.236 0.000 2.287 187 V HA -0.298 3.976 4.120 0.257 0.000 0.248 187 V C 2.326 178.273 176.094 -0.245 0.000 1.053 187 V CA 2.186 64.333 62.300 -0.255 0.000 1.027 187 V CB -0.614 30.972 31.823 -0.395 0.000 0.646 187 V HN 0.436 nan 8.190 nan 0.000 0.447 188 L N -0.182 120.877 121.223 -0.272 0.000 2.046 188 L HA -0.167 4.327 4.340 0.257 0.000 0.208 188 L C 2.634 179.352 176.870 -0.253 0.000 1.077 188 L CA 1.796 56.489 54.840 -0.246 0.000 0.747 188 L CB -0.565 41.342 42.059 -0.255 0.000 0.896 188 L HN 0.316 nan 8.230 nan 0.000 0.432 189 S N -0.755 114.735 115.700 -0.350 0.000 2.368 189 S HA -0.120 4.504 4.470 0.257 0.000 0.224 189 S C 1.985 176.420 174.600 -0.275 0.000 1.029 189 S CA 1.108 59.102 58.200 -0.342 0.000 0.988 189 S CB -0.132 62.776 63.200 -0.486 0.000 0.838 189 S HN 0.276 nan 8.310 nan 0.000 0.462 190 M N 1.209 120.644 119.600 -0.277 0.000 2.213 190 M HA -0.033 4.601 4.480 0.257 0.000 0.263 190 M C 2.071 178.261 176.300 -0.183 0.000 1.062 190 M CA 1.314 56.456 55.300 -0.263 0.000 1.105 190 M CB -1.014 31.416 32.600 -0.284 0.000 1.385 190 M HN 0.252 nan 8.290 nan 0.000 0.417 191 R N -0.048 120.363 120.500 -0.148 0.000 2.092 191 R HA -0.031 4.464 4.340 0.257 0.000 0.231 191 R C 2.164 178.419 176.300 -0.075 0.000 1.119 191 R CA 1.130 57.176 56.100 -0.090 0.000 0.970 191 R CB -0.269 29.980 30.300 -0.085 0.000 0.864 191 R HN 0.329 nan 8.270 nan 0.000 0.440 192 I N -0.018 120.493 120.570 -0.099 0.000 2.286 192 I HA -0.214 4.111 4.170 0.257 0.000 0.245 192 I C 1.914 177.975 176.117 -0.093 0.000 1.104 192 I CA 0.937 62.189 61.300 -0.081 0.000 1.397 192 I CB -0.001 37.951 38.000 -0.079 0.000 1.072 192 I HN 0.143 nan 8.210 nan 0.000 0.417 193 M N -0.133 119.391 119.600 -0.126 0.000 2.514 193 M HA 0.110 4.744 4.480 0.257 0.000 0.258 193 M C 0.980 177.217 176.300 -0.105 0.000 1.119 193 M CA 0.635 55.852 55.300 -0.137 0.000 1.111 193 M CB -0.874 31.610 32.600 -0.192 0.000 1.390 193 M HN 0.324 nan 8.290 nan 0.000 0.475 194 T N -1.475 113.032 114.554 -0.078 0.000 2.804 194 T HA 0.589 5.094 4.350 0.257 0.000 0.290 194 T C -0.401 174.325 174.700 0.043 0.000 1.099 194 T CA -0.976 61.125 62.100 0.002 0.000 1.011 194 T CB 2.163 71.034 68.868 0.005 0.000 1.291 194 T HN 0.146 nan 8.240 nan 0.000 0.523 195 R N 1.044 121.606 120.500 0.102 0.000 2.230 195 R HA 0.598 5.093 4.340 0.257 0.000 0.337 195 R C -0.817 175.552 176.300 0.114 0.000 1.063 195 R CA -0.559 55.590 56.100 0.082 0.000 0.935 195 R CB 0.942 31.277 30.300 0.058 0.000 1.121 195 R HN 0.435 nan 8.270 nan 0.000 0.486 196 V N 2.610 122.574 119.914 0.083 0.000 2.509 196 V HA 0.782 5.057 4.120 0.257 0.000 0.284 196 V C 0.861 176.987 176.094 0.053 0.000 1.047 196 V CA -0.057 62.297 62.300 0.089 0.000 0.952 196 V CB 1.358 33.213 31.823 0.054 0.000 0.988 196 V HN 1.015 nan 8.190 nan 0.000 0.469 197 G N 5.469 114.299 108.800 0.049 0.000 2.362 197 G HA2 0.169 4.283 3.960 0.257 0.000 0.288 197 G HA3 0.169 4.283 3.960 0.257 0.000 0.288 197 G C -2.748 172.156 174.900 0.007 0.000 1.305 197 G CA 0.062 45.177 45.100 0.024 0.000 0.910 197 G HN 0.405 nan 8.290 nan 0.000 0.518 198 P HA 0.125 nan 4.420 nan 0.000 0.231 198 P C 1.843 179.130 177.300 -0.022 0.000 1.168 198 P CA 1.478 64.569 63.100 -0.016 0.000 0.779 198 P CB 0.153 31.847 31.700 -0.010 0.000 0.844 199 A N 0.431 123.241 122.820 -0.015 0.000 2.042 199 A HA -0.149 4.326 4.320 0.257 0.000 0.222 199 A C 2.294 179.860 177.584 -0.029 0.000 1.167 199 A CA 1.736 53.762 52.037 -0.019 0.000 0.649 199 A CB -1.637 17.355 19.000 -0.013 0.000 0.809 199 A HN 0.122 nan 8.150 nan 0.000 0.457 200 V N -0.673 119.218 119.914 -0.039 0.000 2.719 200 V HA -0.135 4.139 4.120 0.257 0.000 0.252 200 V C 2.349 178.392 176.094 -0.084 0.000 1.065 200 V CA 1.256 63.517 62.300 -0.066 0.000 1.086 200 V CB -0.492 31.280 31.823 -0.084 0.000 0.700 200 V HN 0.463 nan 8.190 nan 0.000 0.467 201 L N -0.005 121.174 121.223 -0.073 0.000 2.046 201 L HA -0.192 4.302 4.340 0.257 0.000 0.208 201 L C 2.505 179.336 176.870 -0.066 0.000 1.077 201 L CA 1.849 56.639 54.840 -0.082 0.000 0.747 201 L CB -1.351 40.672 42.059 -0.060 0.000 0.896 201 L HN 0.415 nan 8.230 nan 0.000 0.432 202 Q N -0.380 119.393 119.800 -0.045 0.000 2.133 202 Q HA -0.242 4.252 4.340 0.257 0.000 0.208 202 Q C 1.915 177.897 176.000 -0.030 0.000 0.991 202 Q CA 1.824 57.608 55.803 -0.032 0.000 0.867 202 Q CB 0.072 28.795 28.738 -0.025 0.000 0.911 202 Q HN 0.420 nan 8.270 nan 0.000 0.417 203 R N 0.289 120.767 120.500 -0.036 0.000 2.397 203 R HA 0.139 4.634 4.340 0.257 0.000 0.241 203 R C 0.061 176.353 176.300 -0.013 0.000 0.914 203 R CA -0.149 55.938 56.100 -0.022 0.000 1.071 203 R CB 0.320 30.609 30.300 -0.019 0.000 1.116 203 R HN 0.199 nan 8.270 nan 0.000 0.524 204 L N -0.034 121.165 121.223 -0.041 0.000 2.433 204 L HA 0.316 4.810 4.340 0.257 0.000 0.284 204 L C 0.119 177.036 176.870 0.078 0.000 1.120 204 L CA -0.066 54.773 54.840 -0.002 0.000 0.879 204 L CB 0.240 42.176 42.059 -0.205 0.000 1.232 204 L HN -0.246 nan 8.230 nan 0.000 0.454 205 D N 1.551 122.021 120.400 0.117 0.000 2.277 205 D HA 0.097 4.892 4.640 0.257 0.000 0.279 205 D C -0.424 175.993 176.300 0.195 0.000 1.197 205 D CA -0.131 53.937 54.000 0.112 0.000 1.037 205 D CB 0.576 41.411 40.800 0.059 0.000 1.128 205 D HN 0.636 nan 8.370 nan 0.000 0.531 206 D N 0.728 121.180 120.400 0.088 0.000 2.380 206 D HA 0.134 4.929 4.640 0.257 0.000 0.230 206 D C 0.179 176.438 176.300 -0.068 0.000 1.154 206 D CA 0.265 54.261 54.000 -0.008 0.000 0.859 206 D CB 0.783 41.565 40.800 -0.030 0.000 1.045 206 D HN 0.423 nan 8.370 nan 0.000 0.495 207 D N 1.254 121.562 120.400 -0.154 0.000 4.213 207 D HA -0.142 4.652 4.640 0.257 0.000 0.267 207 D C 0.333 176.557 176.300 -0.127 0.000 0.455 207 D CA -0.379 53.539 54.000 -0.138 0.000 0.695 207 D CB -1.373 39.403 40.800 -0.040 0.000 1.627 207 D HN 0.303 nan 8.370 nan 0.000 0.123 208 F N 2.278 122.151 119.950 -0.129 0.000 2.589 208 F HA 0.494 5.173 4.527 0.254 0.000 0.352 208 F C 0.306 175.933 175.800 -0.289 0.000 1.168 208 F CA -0.840 57.031 58.000 -0.215 0.000 1.353 208 F CB 0.404 39.268 39.000 -0.228 0.000 1.116 208 F HN -0.241 nan 8.300 nan 0.000 0.608 209 V N 3.523 123.240 119.914 -0.329 0.000 2.455 209 V HA 0.258 4.532 4.120 0.257 0.000 0.273 209 V C 0.096 175.987 176.094 -0.338 0.000 1.045 209 V CA -0.567 61.453 62.300 -0.465 0.000 0.976 209 V CB 0.533 31.873 31.823 -0.805 0.000 0.993 209 V HN 0.633 nan 8.190 nan 0.000 0.475 210 R N 3.531 123.711 120.500 -0.533 0.000 2.216 210 R HA 0.445 4.940 4.340 0.257 0.000 0.332 210 R C -0.847 175.238 176.300 -0.359 0.000 1.056 210 R CA 0.035 55.640 56.100 -0.825 0.000 0.901 210 R CB 0.521 30.066 30.300 -1.259 0.000 1.039 210 R HN 0.734 nan 8.270 nan 0.000 0.456 211 C N 4.928 124.219 119.300 -0.014 0.000 2.316 211 C HA 0.429 5.043 4.460 0.257 0.000 0.324 211 C C -0.835 174.425 174.990 0.451 0.000 1.226 211 C CA -1.017 58.138 59.018 0.229 0.000 1.450 211 C CB 0.218 28.122 27.740 0.273 0.000 2.123 211 C HN 0.626 nan 8.230 nan 0.000 0.454 212 L N 5.040 126.495 121.223 0.387 0.000 2.287 212 L HA 0.584 5.078 4.340 0.257 0.000 0.287 212 L C -0.344 176.756 176.870 0.383 0.000 1.022 212 L CA 0.374 55.430 54.840 0.360 0.000 0.814 212 L CB 0.284 42.464 42.059 0.201 0.000 1.217 212 L HN 0.804 nan 8.230 nan 0.000 0.420 213 H N 3.479 122.720 119.070 0.285 0.000 2.717 213 H HA 0.636 5.349 4.556 0.262 0.000 0.366 213 H C -1.763 173.725 175.328 0.267 0.000 1.132 213 H CA -0.440 55.777 56.048 0.281 0.000 1.180 213 H CB 2.058 31.920 29.762 0.167 0.000 1.678 213 H HN 0.662 nan 8.280 nan 0.000 0.537 214 S N 3.299 118.676 115.700 -0.538 0.000 2.548 214 S HA 0.185 4.810 4.470 0.257 0.000 0.276 214 S C 1.015 175.040 174.600 -0.958 0.000 1.129 214 S CA -0.252 57.577 58.200 -0.618 0.000 0.931 214 S CB 1.139 64.168 63.200 -0.284 0.000 1.068 214 S HN 0.560 nan 8.310 nan 0.000 0.480 215 V N 2.191 121.696 119.914 -0.682 0.000 3.078 215 V HA 0.307 4.581 4.120 0.257 0.000 0.265 215 V C 1.510 177.192 176.094 -0.686 0.000 1.122 215 V CA 1.216 63.196 62.300 -0.535 0.000 1.141 215 V CB -1.471 30.138 31.823 -0.357 0.000 0.735 215 V HN 1.908 nan 8.190 nan 0.000 0.498 216 G N 0.768 109.049 108.800 -0.864 0.000 2.182 216 G HA2 -0.223 3.892 3.960 0.257 0.000 0.248 216 G HA3 -0.223 3.892 3.960 0.257 0.000 0.248 216 G C 0.061 174.725 174.900 -0.392 0.000 1.042 216 G CA 0.248 44.728 45.100 -1.034 0.000 0.775 216 G HN 0.544 nan 8.290 nan 0.000 0.501 217 R N 0.305 120.645 120.500 -0.268 0.000 2.585 217 R HA 0.308 4.803 4.340 0.257 0.000 0.278 217 R C -2.521 173.721 176.300 -0.097 0.000 1.663 217 R CA -1.802 54.212 56.100 -0.144 0.000 1.592 217 R CB 1.202 31.419 30.300 -0.138 0.000 1.200 217 R HN 0.317 nan 8.270 nan 0.000 0.611 218 P HA 0.048 nan 4.420 nan 0.000 0.268 218 P C -0.048 177.232 177.300 -0.033 0.000 1.208 218 P CA -0.031 63.045 63.100 -0.040 0.000 0.777 218 P CB 1.086 32.777 31.700 -0.016 0.000 0.875 219 L N 3.706 124.911 121.223 -0.030 0.000 2.343 219 L HA 0.445 4.940 4.340 0.257 0.000 0.275 219 L C -1.578 175.283 176.870 -0.016 0.000 1.056 219 L CA -2.139 52.687 54.840 -0.023 0.000 0.804 219 L CB 0.766 42.811 42.059 -0.023 0.000 1.203 219 L HN 0.299 nan 8.230 nan 0.000 0.440 220 P HA 0.226 nan 4.420 nan 0.000 0.277 220 P C -0.790 176.503 177.300 -0.010 0.000 1.240 220 P CA -0.488 62.606 63.100 -0.010 0.000 0.798 220 P CB 0.849 32.545 31.700 -0.006 0.000 0.979 221 L N 1.563 122.781 121.223 -0.009 0.000 2.426 221 L HA 0.115 4.610 4.340 0.257 0.000 0.271 221 L C 1.894 178.763 176.870 -0.002 0.000 1.169 221 L CA 0.032 54.867 54.840 -0.008 0.000 0.836 221 L CB 0.305 42.360 42.059 -0.006 0.000 1.112 221 L HN 0.548 nan 8.230 nan 0.000 0.465 222 T N -2.418 112.136 114.554 -0.001 0.000 3.040 222 T HA 0.159 4.664 4.350 0.257 0.000 0.252 222 T C 0.563 175.266 174.700 0.005 0.000 1.064 222 T CA 0.590 62.691 62.100 0.002 0.000 1.110 222 T CB 0.127 68.997 68.868 0.003 0.000 0.921 222 T HN 0.658 nan 8.240 nan 0.000 0.480 223 E N 1.835 122.039 120.200 0.006 0.000 2.288 223 E HA 0.703 5.208 4.350 0.257 0.000 0.268 223 E C -3.263 173.344 176.600 0.012 0.000 0.885 223 E CA -2.615 53.791 56.400 0.011 0.000 0.767 223 E CB 0.507 nan 29.700 nan 0.000 1.220 223 E HN 0.310 nan 8.360 nan 0.000 0.427 224 P HA 0.365 nan 4.420 nan 0.000 0.272 224 P C -0.391 176.927 177.300 0.029 0.000 1.230 224 P CA -0.555 62.557 63.100 0.021 0.000 0.788 224 P CB 0.475 32.189 31.700 0.022 0.000 0.949 225 L N 0.350 121.595 121.223 0.037 0.000 2.421 225 L HA 0.363 4.858 4.340 0.257 0.000 0.263 225 L C -0.054 176.859 176.870 0.072 0.000 1.122 225 L CA -1.067 53.808 54.840 0.058 0.000 0.804 225 L CB 0.825 42.921 42.059 0.063 0.000 1.150 225 L HN 0.057 nan 8.230 nan 0.000 0.457 226 V N 0.878 120.851 119.914 0.098 0.000 2.407 226 V HA 0.148 4.423 4.120 0.257 0.000 0.278 226 V C 0.612 176.787 176.094 0.135 0.000 1.037 226 V CA -0.286 62.066 62.300 0.087 0.000 0.900 226 V CB 1.191 33.053 31.823 0.065 0.000 0.983 226 V HN 0.976 nan 8.190 nan 0.000 0.459 227 S N 3.371 119.136 115.700 0.109 0.000 3.533 227 S HA -0.229 4.395 4.470 0.257 0.000 0.347 227 S C 0.999 175.735 174.600 0.226 0.000 1.101 227 S CA 0.835 59.126 58.200 0.152 0.000 1.009 227 S CB -1.130 62.145 63.200 0.124 0.000 0.916 227 S HN 1.329 nan 8.310 nan 0.000 0.496 228 S N -1.828 113.979 115.700 0.178 0.000 3.445 228 S HA -0.215 4.409 4.470 0.257 0.000 0.319 228 S C -0.250 174.464 174.600 0.189 0.000 1.209 228 S CA 1.387 59.678 58.200 0.152 0.000 0.934 228 S CB -1.332 61.946 63.200 0.131 0.000 0.999 228 S HN 0.811 nan 8.310 nan 0.000 0.582 229 W N 3.168 124.475 121.300 0.012 0.000 2.278 229 W HA 0.395 5.206 4.660 0.252 0.000 0.317 229 W C -3.143 173.366 176.519 -0.018 0.000 1.030 229 W CA -2.330 55.010 57.345 -0.009 0.000 1.334 229 W CB 1.057 30.516 29.460 -0.002 0.000 1.215 229 W HN 0.009 nan 8.180 nan 0.000 0.405 230 P HA 0.134 nan 4.420 nan 0.000 0.276 230 P C -0.562 176.526 177.300 -0.353 0.000 1.235 230 P CA 0.315 63.238 63.100 -0.294 0.000 0.772 230 P CB 0.615 32.135 31.700 -0.301 0.000 0.871 231 C N 0.292 119.504 119.300 -0.147 0.000 3.275 231 C HA 0.612 5.226 4.460 0.257 0.000 0.345 231 C C -1.407 173.545 174.990 -0.064 0.000 1.257 231 C CA -0.734 58.233 59.018 -0.085 0.000 1.203 231 C CB 1.398 29.214 27.740 0.127 0.000 1.492 231 C HN 0.439 nan 8.230 nan 0.000 0.484 232 D N 1.562 121.911 120.400 -0.085 0.000 2.441 232 D HA 0.471 5.265 4.640 0.257 0.000 0.287 232 D C -1.678 174.651 176.300 0.048 0.000 1.198 232 D CA -1.704 52.285 54.000 -0.018 0.000 0.894 232 D CB 1.256 42.040 40.800 -0.027 0.000 1.070 232 D HN 0.336 nan 8.370 nan 0.000 0.499 233 P HA -0.112 nan 4.420 nan 0.000 0.216 233 P C 1.295 178.640 177.300 0.076 0.000 1.153 233 P CA 0.865 64.010 63.100 0.075 0.000 0.858 233 P CB 0.380 32.122 31.700 0.069 0.000 0.789 234 S N -1.120 114.622 115.700 0.070 0.000 2.442 234 S HA -0.052 4.573 4.470 0.257 0.000 0.236 234 S C 1.386 176.033 174.600 0.078 0.000 1.007 234 S CA 0.973 59.211 58.200 0.064 0.000 0.965 234 S CB -0.438 62.793 63.200 0.051 0.000 0.773 234 S HN 0.212 nan 8.310 nan 0.000 0.504 235 R N 0.545 121.115 120.500 0.117 0.000 2.596 235 R HA 0.247 4.741 4.340 0.257 0.000 0.369 235 R C -0.634 175.805 176.300 0.232 0.000 1.042 235 R CA -0.101 56.085 56.100 0.143 0.000 1.120 235 R CB 0.630 31.018 30.300 0.148 0.000 1.353 235 R HN 0.117 nan 8.270 nan 0.000 0.564 236 V N 2.266 122.297 119.914 0.195 0.000 2.617 236 V HA -0.036 4.239 4.120 0.257 0.000 0.304 236 V C -0.121 176.099 176.094 0.209 0.000 1.040 236 V CA 0.577 63.004 62.300 0.212 0.000 1.149 236 V CB 0.792 32.706 31.823 0.152 0.000 0.914 236 V HN 0.130 nan 8.190 nan 0.000 0.487 237 L N 6.322 127.702 121.223 0.262 0.000 2.562 237 L HA 0.554 5.049 4.340 0.257 0.000 0.266 237 L C -0.799 176.236 176.870 0.275 0.000 0.949 237 L CA 0.049 55.036 54.840 0.244 0.000 0.879 237 L CB 2.150 44.349 42.059 0.234 0.000 1.278 237 L HN 0.367 nan 8.230 nan 0.000 0.404 238 V N 4.659 124.708 119.914 0.225 0.000 2.305 238 V HA 0.871 5.146 4.120 0.257 0.000 0.275 238 V C 0.251 176.394 176.094 0.083 0.000 1.020 238 V CA -0.203 62.206 62.300 0.183 0.000 0.811 238 V CB 0.950 32.916 31.823 0.237 0.000 1.031 238 V HN 0.884 nan 8.190 nan 0.000 0.439 239 A N 3.733 126.520 122.820 -0.055 0.000 2.340 239 A HA 0.908 5.382 4.320 0.257 0.000 0.331 239 A C -0.924 176.374 177.584 -0.477 0.000 1.140 239 A CA -0.530 51.422 52.037 -0.140 0.000 0.801 239 A CB 0.846 19.815 19.000 -0.052 0.000 1.234 239 A HN 0.912 nan 8.150 nan 0.000 0.469 240 H N 0.433 119.441 119.070 -0.103 0.000 2.658 240 H HA 0.559 5.269 4.556 0.256 0.000 0.337 240 H C -1.298 173.947 175.328 -0.138 0.000 1.009 240 H CA -0.335 55.682 56.048 -0.052 0.000 1.231 240 H CB 1.283 31.075 29.762 0.049 0.000 1.508 240 H HN 0.420 nan 8.280 nan 0.000 0.517 241 I N 4.902 125.438 120.570 -0.056 0.000 2.668 241 I HA 0.237 4.561 4.170 0.257 0.000 0.276 241 I C -2.041 174.067 176.117 -0.015 0.000 1.139 241 I CA -1.644 59.596 61.300 -0.100 0.000 1.133 241 I CB 1.440 39.317 38.000 -0.204 0.000 1.327 241 I HN 0.434 nan 8.210 nan 0.000 0.520 242 P HA -0.127 nan 4.420 nan 0.000 0.215 242 P C 1.478 178.782 177.300 0.006 0.000 1.153 242 P CA 1.336 64.462 63.100 0.043 0.000 0.853 242 P CB 0.282 32.014 31.700 0.054 0.000 0.788 243 S N -1.038 114.661 115.700 -0.001 0.000 2.515 243 S HA -0.098 4.527 4.470 0.257 0.000 0.231 243 S C 1.591 176.172 174.600 -0.032 0.000 0.987 243 S CA 0.681 58.873 58.200 -0.014 0.000 0.936 243 S CB -0.599 62.599 63.200 -0.002 0.000 0.766 243 S HN 0.311 nan 8.310 nan 0.000 0.528 244 E N 0.664 120.839 120.200 -0.042 0.000 2.481 244 E HA 0.116 4.620 4.350 0.257 0.000 0.198 244 E C -0.373 176.153 176.600 -0.122 0.000 1.027 244 E CA -0.162 56.195 56.400 -0.071 0.000 0.900 244 E CB 0.168 29.837 29.700 -0.052 0.000 0.993 244 E HN 0.003 nan 8.360 nan 0.000 0.482 245 R N 0.766 121.210 120.500 -0.093 0.000 3.251 245 R HA -0.205 4.289 4.340 0.257 0.000 0.249 245 R C -0.426 175.780 176.300 -0.156 0.000 0.949 245 R CA 0.697 56.733 56.100 -0.105 0.000 0.645 245 R CB -2.092 28.104 30.300 -0.174 0.000 1.065 245 R HN 0.277 nan 8.270 nan 0.000 0.452 246 R N 0.420 120.864 120.500 -0.093 0.000 2.686 246 R HA 0.633 5.127 4.340 0.257 0.000 0.283 246 R C -0.552 175.723 176.300 -0.042 0.000 0.978 246 R CA -0.748 55.289 56.100 -0.106 0.000 0.897 246 R CB 1.390 31.634 30.300 -0.095 0.000 1.192 246 R HN 0.148 nan 8.270 nan 0.000 0.457 247 I N 3.558 124.117 120.570 -0.018 0.000 2.545 247 I HA 0.412 4.736 4.170 0.257 0.000 0.292 247 I C -0.891 175.257 176.117 0.053 0.000 1.040 247 I CA -1.067 60.221 61.300 -0.018 0.000 1.068 247 I CB 2.383 40.412 38.000 0.048 0.000 1.251 247 I HN 0.226 nan 8.210 nan 0.000 0.424 248 V N 4.232 124.180 119.914 0.056 0.000 2.482 248 V HA 0.439 4.713 4.120 0.257 0.000 0.295 248 V C -0.548 175.728 176.094 0.302 0.000 1.026 248 V CA -0.368 62.049 62.300 0.194 0.000 0.856 248 V CB 1.817 33.801 31.823 0.268 0.000 1.001 248 V HN 0.754 nan 8.190 nan 0.000 0.424 249 S N 5.136 121.099 115.700 0.438 0.000 2.594 249 S HA 0.812 5.437 4.470 0.257 0.000 0.296 249 S C -1.464 173.455 174.600 0.532 0.000 1.124 249 S CA -0.376 58.096 58.200 0.453 0.000 1.011 249 S CB 1.040 64.482 63.200 0.404 0.000 1.016 249 S HN 0.560 nan 8.310 nan 0.000 0.485 250 F N 3.427 123.503 119.950 0.210 0.000 2.556 250 F HA 0.647 5.328 4.527 0.256 0.000 0.314 250 F C 0.846 176.616 175.800 -0.050 0.000 1.106 250 F CA 0.547 58.501 58.000 -0.076 0.000 0.911 250 F CB 1.759 40.591 39.000 -0.280 0.000 1.190 250 F HN 0.842 nan 8.300 nan 0.000 0.448 251 G N 2.666 111.039 108.800 -0.712 0.000 2.175 251 G HA2 -0.163 3.951 3.960 0.257 0.000 0.244 251 G HA3 -0.163 3.951 3.960 0.257 0.000 0.244 251 G C -0.173 174.657 174.900 -0.117 0.000 0.982 251 G CA 0.174 45.012 45.100 -0.436 0.000 0.641 251 G HN 1.077 nan 8.290 nan 0.000 0.527 252 S N -0.910 114.801 115.700 0.018 0.000 2.536 252 S HA 0.665 5.289 4.470 0.257 0.000 0.287 252 S C 1.015 175.797 174.600 0.303 0.000 1.101 252 S CA 0.680 58.997 58.200 0.196 0.000 0.950 252 S CB 1.573 64.926 63.200 0.255 0.000 1.056 252 S HN 1.320 nan 8.310 nan 0.000 0.481 253 G N 1.964 110.964 108.800 0.334 0.000 3.020 253 G HA2 0.134 4.248 3.960 0.257 0.000 0.217 253 G HA3 0.134 4.248 3.960 0.257 0.000 0.217 253 G C -0.010 175.195 174.900 0.508 0.000 1.144 253 G CA -0.114 45.170 45.100 0.307 0.000 0.760 253 G HN 0.724 nan 8.290 nan 0.000 0.548 254 Y N 2.050 122.591 120.300 0.402 0.000 2.377 254 Y HA 0.405 5.106 4.550 0.252 0.000 0.330 254 Y C 1.594 177.626 175.900 0.220 0.000 1.108 254 Y CA -0.198 58.093 58.100 0.318 0.000 1.308 254 Y CB 1.052 39.630 38.460 0.197 0.000 1.216 254 Y HN 0.092 nan 8.280 nan 0.000 0.518 255 G N 4.418 112.833 108.800 -0.641 0.000 2.913 255 G HA2 -0.477 3.638 3.960 0.257 0.000 0.269 255 G HA3 -0.477 3.638 3.960 0.257 0.000 0.269 255 G C 1.560 176.116 174.900 -0.573 0.000 1.091 255 G CA 1.400 45.957 45.100 -0.904 0.000 0.753 255 G HN 1.159 nan 8.290 nan 0.000 0.776 256 G N 0.225 108.809 108.800 -0.360 0.000 2.462 256 G HA2 -0.218 3.897 3.960 0.257 0.000 0.220 256 G HA3 -0.218 3.897 3.960 0.257 0.000 0.220 256 G C 1.662 176.657 174.900 0.157 0.000 1.121 256 G CA 1.369 46.508 45.100 0.064 0.000 0.758 256 G HN 0.516 nan 8.290 nan 0.000 0.559 257 N N 0.198 119.028 118.700 0.218 0.000 2.395 257 N HA -0.030 4.865 4.740 0.257 0.000 0.175 257 N C 2.324 177.914 175.510 0.134 0.000 1.029 257 N CA 1.339 54.527 53.050 0.231 0.000 0.897 257 N CB 0.247 38.920 38.487 0.309 0.000 0.991 257 N HN 0.499 nan 8.380 nan 0.000 0.441 258 S N -0.565 115.126 115.700 -0.015 0.000 2.575 258 S HA 0.231 4.855 4.470 0.257 0.000 0.230 258 S C 0.665 175.070 174.600 -0.325 0.000 1.062 258 S CA -0.377 57.662 58.200 -0.268 0.000 0.913 258 S CB -0.022 63.007 63.200 -0.286 0.000 0.837 258 S HN 0.016 nan 8.310 nan 0.000 0.487 259 L N 3.241 124.302 121.223 -0.269 0.000 2.404 259 L HA 0.353 4.847 4.340 0.257 0.000 0.277 259 L C 0.848 177.608 176.870 -0.183 0.000 1.184 259 L CA -0.270 54.392 54.840 -0.297 0.000 1.013 259 L CB 0.248 42.063 42.059 -0.406 0.000 1.318 259 L HN 0.279 nan 8.230 nan 0.000 0.435 260 L N 1.827 122.963 121.223 -0.144 0.000 2.313 260 L HA -0.020 4.474 4.340 0.257 0.000 0.214 260 L C 2.413 179.356 176.870 0.121 0.000 1.119 260 L CA 0.856 55.709 54.840 0.021 0.000 0.809 260 L CB -0.377 41.731 42.059 0.082 0.000 0.933 260 L HN 0.760 nan 8.230 nan 0.000 0.449 261 G N 0.176 108.945 108.800 -0.052 0.000 2.471 261 G HA2 -0.227 3.887 3.960 0.257 0.000 0.219 261 G HA3 -0.227 3.887 3.960 0.257 0.000 0.219 261 G C 1.569 176.615 174.900 0.244 0.000 1.125 261 G CA 0.474 45.695 45.100 0.201 0.000 0.775 261 G HN 0.282 nan 8.290 nan 0.000 0.548 262 K N -0.016 120.418 120.400 0.055 0.000 2.143 262 K HA 0.094 4.568 4.320 0.257 0.000 0.209 262 K C 2.425 179.038 176.600 0.021 0.000 1.042 262 K CA 0.285 56.566 56.287 -0.009 0.000 1.000 262 K CB -0.037 32.390 32.500 -0.122 0.000 1.134 262 K HN -0.149 nan 8.250 nan 0.000 0.456 263 K N 0.687 121.082 120.400 -0.010 0.000 2.025 263 K HA -0.080 4.394 4.320 0.257 0.000 0.207 263 K C 2.374 179.065 176.600 0.152 0.000 1.049 263 K CA 1.307 57.575 56.287 -0.032 0.000 0.933 263 K CB -0.813 31.707 32.500 0.034 0.000 0.714 263 K HN 0.384 nan 8.250 nan 0.000 0.438 264 C N 0.463 119.929 119.300 0.277 0.000 2.436 264 C HA -0.078 4.536 4.460 0.257 0.000 0.277 264 C C 2.574 177.847 174.990 0.472 0.000 1.241 264 C CA 0.338 59.636 59.018 0.467 0.000 1.721 264 C CB -0.979 27.021 27.740 0.434 0.000 2.043 264 C HN 0.427 nan 8.230 nan 0.000 0.472 265 F N 1.604 121.714 119.950 0.267 0.000 2.123 265 F HA 0.137 4.822 4.527 0.264 0.000 0.289 265 F C 2.448 178.460 175.800 0.354 0.000 1.099 265 F CA 1.174 59.355 58.000 0.303 0.000 1.234 265 F CB -0.284 38.930 39.000 0.357 0.000 1.034 265 F HN 0.094 nan 8.300 nan 0.000 0.479 266 A N 0.264 123.170 122.820 0.142 0.000 2.119 266 A HA 0.040 4.515 4.320 0.257 0.000 0.217 266 A C 1.928 179.691 177.584 0.298 0.000 1.153 266 A CA 1.128 53.289 52.037 0.206 0.000 0.692 266 A CB -0.581 18.498 19.000 0.133 0.000 0.799 266 A HN 0.528 nan 8.150 nan 0.000 0.458 267 L N -2.275 119.031 121.223 0.139 0.000 2.488 267 L HA 0.117 4.612 4.340 0.257 0.000 0.186 267 L C 2.712 179.646 176.870 0.107 0.000 1.124 267 L CA 0.184 55.089 54.840 0.108 0.000 0.838 267 L CB -0.465 41.564 42.059 -0.050 0.000 1.107 267 L HN 0.210 nan 8.230 nan 0.000 0.494 268 R N 0.352 120.916 120.500 0.106 0.000 2.061 268 R HA -0.068 4.427 4.340 0.257 0.000 0.230 268 R C 2.166 178.539 176.300 0.122 0.000 1.140 268 R CA 1.176 57.320 56.100 0.072 0.000 0.940 268 R CB -0.252 29.960 30.300 -0.147 0.000 0.839 268 R HN 0.206 nan 8.270 nan 0.000 0.429 269 I N 1.037 121.722 120.570 0.191 0.000 2.179 269 I HA -0.191 4.133 4.170 0.257 0.000 0.242 269 I C 2.572 178.727 176.117 0.064 0.000 1.088 269 I CA 1.342 62.767 61.300 0.208 0.000 1.357 269 I CB -1.320 36.939 38.000 0.431 0.000 1.051 269 I HN 0.176 nan 8.210 nan 0.000 0.409 270 A N 1.103 123.888 122.820 -0.058 0.000 1.933 270 A HA -0.191 4.284 4.320 0.257 0.000 0.218 270 A C 2.536 179.896 177.584 -0.374 0.000 1.175 270 A CA 2.106 53.977 52.037 -0.277 0.000 0.628 270 A CB -0.773 17.995 19.000 -0.387 0.000 0.814 270 A HN 0.566 nan 8.150 nan 0.000 0.444 271 S N -0.214 115.416 115.700 -0.117 0.000 2.382 271 S HA -0.220 4.404 4.470 0.257 0.000 0.228 271 S C 2.072 176.618 174.600 -0.090 0.000 1.027 271 S CA 1.318 59.521 58.200 0.004 0.000 0.991 271 S CB -0.480 62.913 63.200 0.322 0.000 0.823 271 S HN 0.612 nan 8.310 nan 0.000 0.469 272 R N 0.669 121.110 120.500 -0.099 0.000 2.073 272 R HA 0.108 4.602 4.340 0.257 0.000 0.229 272 R C 2.420 178.449 176.300 -0.452 0.000 1.120 272 R CA 1.358 57.228 56.100 -0.383 0.000 0.967 272 R CB -0.375 29.840 30.300 -0.142 0.000 0.862 272 R HN 0.497 nan 8.270 nan 0.000 0.436 273 M N 0.122 119.515 119.600 -0.344 0.000 2.080 273 M HA -0.147 4.488 4.480 0.257 0.000 0.260 273 M C 2.502 178.437 176.300 -0.608 0.000 1.068 273 M CA 1.962 57.076 55.300 -0.310 0.000 1.109 273 M CB -0.350 32.184 32.600 -0.111 0.000 1.342 273 M HN 0.242 nan 8.290 nan 0.000 0.405 274 A N -0.197 121.898 122.820 -1.208 0.000 1.883 274 A HA -0.245 4.229 4.320 0.257 0.000 0.217 274 A C 2.143 179.139 177.584 -0.980 0.000 1.186 274 A CA 1.852 52.761 52.037 -1.880 0.000 0.624 274 A CB -0.932 17.032 19.000 -1.726 0.000 0.822 274 A HN 0.548 nan 8.150 nan 0.000 0.444 275 Q N -0.330 118.927 119.800 -0.906 0.000 2.135 275 Q HA -0.240 4.255 4.340 0.257 0.000 0.204 275 Q C 2.075 177.675 176.000 -0.666 0.000 0.981 275 Q CA 2.155 57.278 55.803 -1.133 0.000 0.856 275 Q CB -0.233 27.802 28.738 -1.173 0.000 0.902 275 Q HN 0.837 nan 8.270 nan 0.000 0.425 276 Q N -0.585 118.922 119.800 -0.488 0.000 2.172 276 Q HA -0.102 4.392 4.340 0.257 0.000 0.200 276 Q C 1.340 177.255 176.000 -0.141 0.000 0.964 276 Q CA 1.012 56.654 55.803 -0.268 0.000 0.855 276 Q CB 0.237 28.847 28.738 -0.214 0.000 0.918 276 Q HN 0.460 nan 8.270 nan 0.000 0.444 277 Q N -1.179 118.550 119.800 -0.118 0.000 2.217 277 Q HA 0.207 4.702 4.340 0.257 0.000 0.217 277 Q C 0.227 176.345 176.000 0.196 0.000 0.844 277 Q CA 0.274 56.130 55.803 0.089 0.000 0.957 277 Q CB 1.520 30.425 28.738 0.279 0.000 1.127 277 Q HN 0.412 nan 8.270 nan 0.000 0.503 278 G N 1.338 110.198 108.800 0.099 0.000 2.171 278 G HA2 -0.178 3.936 3.960 0.257 0.000 0.238 278 G HA3 -0.178 3.936 3.960 0.257 0.000 0.238 278 G C -0.396 174.683 174.900 0.299 0.000 1.039 278 G CA 0.321 45.542 45.100 0.202 0.000 0.759 278 G HN 0.345 nan 8.290 nan 0.000 0.501 279 W N -1.429 119.900 121.300 0.048 0.000 3.505 279 W HA 0.838 5.646 4.660 0.246 0.000 0.338 279 W C -0.937 175.615 176.519 0.055 0.000 1.159 279 W CA -1.772 55.571 57.345 -0.003 0.000 0.981 279 W CB 0.773 30.194 29.460 -0.065 0.000 1.575 279 W HN 0.159 nan 8.180 nan 0.000 0.608 280 L N 1.511 122.840 121.223 0.177 0.000 2.410 280 L HA 0.682 5.176 4.340 0.257 0.000 0.270 280 L C -0.384 176.603 176.870 0.195 0.000 0.983 280 L CA -0.969 53.903 54.840 0.054 0.000 0.822 280 L CB 1.798 43.851 42.059 -0.011 0.000 1.285 280 L HN 0.560 nan 8.230 nan 0.000 0.409 281 A N 2.804 125.677 122.820 0.088 0.000 2.285 281 A HA 0.805 5.279 4.320 0.257 0.000 0.310 281 A C -0.723 177.105 177.584 0.408 0.000 1.266 281 A CA -0.488 51.726 52.037 0.295 0.000 0.832 281 A CB 0.718 19.726 19.000 0.013 0.000 1.163 281 A HN 0.595 nan 8.150 nan 0.000 0.499 282 E N 0.700 121.179 120.200 0.464 0.000 2.343 282 E HA 0.185 4.690 4.350 0.257 0.000 0.270 282 E C -0.956 175.861 176.600 0.361 0.000 0.895 282 E CA -0.586 56.091 56.400 0.462 0.000 0.767 282 E CB 1.493 31.521 29.700 0.548 0.000 1.248 282 E HN 0.786 nan 8.360 nan 0.000 0.440 283 H N 2.660 121.850 119.070 0.200 0.000 2.970 283 H HA 0.262 4.757 4.556 -0.101 0.000 0.226 283 H C -0.671 174.714 175.328 0.093 0.000 1.909 283 H CA 0.055 56.153 56.048 0.083 0.000 1.388 283 H CB -0.163 29.648 29.762 0.081 0.000 1.773 283 H HN 0.192 nan 8.280 nan 0.000 0.559 284 M N 3.909 123.566 119.600 0.094 0.000 2.327 284 M HA 0.157 4.792 4.480 0.257 0.000 0.298 284 M C -0.735 175.552 176.300 -0.023 0.000 1.065 284 M CA -1.319 53.972 55.300 -0.015 0.000 0.916 284 M CB 2.605 35.251 32.600 0.076 0.000 1.630 284 M HN 0.259 nan 8.290 nan 0.000 0.442 285 L N 1.733 122.890 121.223 -0.109 0.000 2.473 285 L HA 0.633 5.128 4.340 0.257 0.000 0.268 285 L C -0.974 175.904 176.870 0.013 0.000 1.215 285 L CA 0.319 55.137 54.840 -0.037 0.000 0.823 285 L CB 0.142 42.154 42.059 -0.078 0.000 1.099 285 L HN 0.581 nan 8.230 nan 0.000 0.483 286 I N 2.755 123.373 120.570 0.081 0.000 2.533 286 I HA 0.560 4.884 4.170 0.257 0.000 0.290 286 I C -0.905 175.320 176.117 0.181 0.000 1.056 286 I CA -0.705 60.674 61.300 0.131 0.000 1.057 286 I CB 1.836 39.922 38.000 0.144 0.000 1.240 286 I HN 0.710 nan 8.210 nan 0.000 0.423 287 L N 3.389 124.740 121.223 0.213 0.000 2.409 287 L HA 1.045 5.540 4.340 0.257 0.000 0.255 287 L C -0.362 176.669 176.870 0.267 0.000 1.027 287 L CA -0.572 54.406 54.840 0.230 0.000 0.834 287 L CB 1.436 43.581 42.059 0.143 0.000 1.426 287 L HN 0.510 nan 8.230 nan 0.000 0.411 288 G N 0.279 109.185 108.800 0.176 0.000 2.415 288 G HA2 0.664 4.779 3.960 0.257 0.000 0.327 288 G HA3 0.664 4.779 3.960 0.257 0.000 0.327 288 G C -1.373 173.533 174.900 0.010 0.000 1.182 288 G CA -0.765 44.231 45.100 -0.174 0.000 0.924 288 G HN 0.583 nan 8.290 nan 0.000 0.470 289 V N 1.481 121.412 119.914 0.028 0.000 2.448 289 V HA 0.510 4.785 4.120 0.257 0.000 0.295 289 V C -0.019 176.182 176.094 0.177 0.000 1.025 289 V CA -0.629 61.782 62.300 0.185 0.000 0.859 289 V CB 1.777 33.805 31.823 0.342 0.000 0.988 289 V HN 0.768 nan 8.190 nan 0.000 0.431 290 T N 3.375 117.984 114.554 0.093 0.000 2.758 290 T HA 0.391 4.895 4.350 0.257 0.000 0.285 290 T C 0.306 174.788 174.700 -0.363 0.000 0.981 290 T CA -0.366 61.702 62.100 -0.053 0.000 0.965 290 T CB 1.259 70.125 68.868 -0.004 0.000 0.927 290 T HN 0.879 nan 8.240 nan 0.000 0.448 291 S N 3.691 118.932 115.700 -0.765 0.000 2.614 291 S HA 0.264 4.888 4.470 0.257 0.000 0.265 291 S C -1.671 172.342 174.600 -0.978 0.000 1.303 291 S CA -1.158 56.116 58.200 -1.543 0.000 1.000 291 S CB 0.576 62.899 63.200 -1.461 0.000 0.935 291 S HN 0.281 nan 8.310 nan 0.000 0.551 292 P HA -0.053 nan 4.420 nan 0.000 0.217 292 P C 1.168 178.263 177.300 -0.342 0.000 1.148 292 P CA 1.258 64.017 63.100 -0.568 0.000 0.828 292 P CB -0.170 31.237 31.700 -0.488 0.000 0.783 293 S N -2.040 113.467 115.700 -0.322 0.000 2.515 293 S HA 0.167 4.791 4.470 0.257 0.000 0.231 293 S C 1.708 176.231 174.600 -0.128 0.000 0.987 293 S CA 1.022 59.121 58.200 -0.168 0.000 0.936 293 S CB -0.729 62.406 63.200 -0.107 0.000 0.766 293 S HN 0.371 nan 8.310 nan 0.000 0.528 294 G N 1.474 110.172 108.800 -0.170 0.000 2.176 294 G HA2 -0.253 3.862 3.960 0.257 0.000 0.232 294 G HA3 -0.253 3.862 3.960 0.257 0.000 0.232 294 G C -0.093 174.782 174.900 -0.042 0.000 0.986 294 G CA 0.058 45.098 45.100 -0.100 0.000 0.643 294 G HN 0.524 nan 8.290 nan 0.000 0.522 295 E N 0.864 121.058 120.200 -0.009 0.000 2.376 295 E HA 0.441 4.946 4.350 0.257 0.000 0.266 295 E C 0.189 176.912 176.600 0.205 0.000 1.009 295 E CA -0.167 56.309 56.400 0.127 0.000 0.902 295 E CB 0.353 30.205 29.700 0.253 0.000 0.972 295 E HN 0.305 nan 8.360 nan 0.000 0.439 296 K N 4.053 124.550 120.400 0.162 0.000 2.292 296 K HA 0.352 4.826 4.320 0.257 0.000 0.257 296 K C -0.944 175.706 176.600 0.084 0.000 0.940 296 K CA -0.782 55.575 56.287 0.118 0.000 0.811 296 K CB 0.847 33.331 32.500 -0.027 0.000 1.120 296 K HN 0.413 nan 8.250 nan 0.000 0.428 297 R N 2.814 123.370 120.500 0.092 0.000 2.744 297 R HA 0.334 4.829 4.340 0.257 0.000 0.279 297 R C -1.226 174.998 176.300 -0.126 0.000 0.977 297 R CA -0.778 55.306 56.100 -0.026 0.000 0.906 297 R CB 1.157 31.344 30.300 -0.188 0.000 1.197 297 R HN 0.544 nan 8.270 nan 0.000 0.463 298 Y N 1.132 121.491 120.300 0.099 0.000 2.387 298 Y HA 0.559 5.261 4.550 0.254 0.000 0.336 298 Y C 0.575 176.527 175.900 0.087 0.000 1.067 298 Y CA -0.579 57.585 58.100 0.106 0.000 1.114 298 Y CB 1.898 40.413 38.460 0.091 0.000 1.208 298 Y HN 0.237 nan 8.280 nan 0.000 0.458 299 M N 2.238 121.977 119.600 0.232 0.000 2.518 299 M HA 0.766 5.400 4.480 0.257 0.000 0.300 299 M C -1.059 175.311 176.300 0.115 0.000 1.175 299 M CA -0.956 54.428 55.300 0.141 0.000 0.890 299 M CB 2.521 35.172 32.600 0.085 0.000 1.710 299 M HN 0.686 nan 8.290 nan 0.000 0.453 300 A N 1.663 124.525 122.820 0.069 0.000 2.350 300 A HA 0.980 5.454 4.320 0.257 0.000 0.324 300 A C -1.108 176.412 177.584 -0.107 0.000 1.118 300 A CA -0.639 51.409 52.037 0.018 0.000 0.783 300 A CB 1.287 20.333 19.000 0.076 0.000 1.236 300 A HN 0.912 nan 8.150 nan 0.000 0.457 301 A N 1.013 123.698 122.820 -0.225 0.000 2.375 301 A HA 0.719 5.194 4.320 0.257 0.000 0.295 301 A C -0.152 177.088 177.584 -0.574 0.000 1.066 301 A CA 0.125 51.867 52.037 -0.491 0.000 0.722 301 A CB 0.998 19.536 19.000 -0.771 0.000 1.206 301 A HN 2.172 nan 8.150 nan 0.000 0.435 302 A N 3.017 125.609 122.820 -0.380 0.000 2.391 302 A HA 0.695 5.169 4.320 0.257 0.000 0.316 302 A C -0.661 176.927 177.584 0.008 0.000 1.381 302 A CA -0.124 51.827 52.037 -0.142 0.000 0.998 302 A CB -0.609 18.487 19.000 0.160 0.000 1.147 302 A HN 0.665 nan 8.150 nan 0.000 0.545 303 F N 2.737 122.619 119.950 -0.113 0.000 2.508 303 F HA 0.436 5.118 4.527 0.259 0.000 0.325 303 F C -2.118 173.625 175.800 -0.095 0.000 1.090 303 F CA -2.732 55.213 58.000 -0.092 0.000 0.945 303 F CB 2.244 41.209 39.000 -0.059 0.000 1.156 303 F HN 0.337 nan 8.300 nan 0.000 0.463 304 P HA 0.020 nan 4.420 nan 0.000 0.271 304 P C -0.721 176.729 177.300 0.250 0.000 1.233 304 P CA -0.228 63.016 63.100 0.239 0.000 0.789 304 P CB 0.468 32.253 31.700 0.143 0.000 0.951 305 S N 0.904 116.843 115.700 0.399 0.000 2.558 305 S HA 0.237 4.861 4.470 0.257 0.000 0.293 305 S C 0.871 175.566 174.600 0.159 0.000 1.292 305 S CA 0.833 59.227 58.200 0.324 0.000 1.063 305 S CB -0.809 62.610 63.200 0.366 0.000 0.831 305 S HN 0.717 nan 8.310 nan 0.000 0.499 306 A N 1.439 124.328 122.820 0.116 0.000 2.832 306 A HA -0.196 4.279 4.320 0.257 0.000 0.280 306 A C 0.866 178.455 177.584 0.010 0.000 1.464 306 A CA 0.719 52.783 52.037 0.044 0.000 0.804 306 A CB -2.421 16.582 19.000 0.006 0.000 1.020 306 A HN 0.907 nan 8.150 nan 0.000 0.563 307 C N -1.459 117.880 119.300 0.065 0.000 3.115 307 C HA 0.608 5.223 4.460 0.257 0.000 0.277 307 C C 1.880 177.009 174.990 0.232 0.000 1.460 307 C CA 0.173 59.199 59.018 0.015 0.000 1.789 307 C CB -0.529 27.171 27.740 -0.068 0.000 2.674 307 C HN 2.297 nan 8.230 nan 0.000 0.582 308 G N 1.249 110.230 108.800 0.302 0.000 2.183 308 G HA2 -0.176 3.938 3.960 0.257 0.000 0.168 308 G HA3 -0.176 3.938 3.960 0.257 0.000 0.168 308 G C 0.905 176.088 174.900 0.471 0.000 1.008 308 G CA 0.117 45.445 45.100 0.380 0.000 0.677 308 G HN 0.447 nan 8.290 nan 0.000 0.498 309 K N 0.040 120.698 120.400 0.429 0.000 2.009 309 K HA -0.082 4.393 4.320 0.257 0.000 0.210 309 K C 2.548 179.228 176.600 0.134 0.000 1.049 309 K CA 1.950 58.371 56.287 0.224 0.000 0.929 309 K CB -0.356 32.171 32.500 0.046 0.000 0.714 309 K HN 0.329 nan 8.250 nan 0.000 0.440 310 T N 1.351 115.966 114.554 0.102 0.000 2.708 310 T HA -0.112 4.392 4.350 0.257 0.000 0.266 310 T C 1.533 176.252 174.700 0.032 0.000 1.037 310 T CA 1.737 63.856 62.100 0.032 0.000 1.146 310 T CB -0.351 68.526 68.868 0.016 0.000 0.865 310 T HN 0.252 nan 8.240 nan 0.000 0.435 311 N N 0.730 119.488 118.700 0.096 0.000 2.309 311 N HA 0.021 4.916 4.740 0.257 0.000 0.182 311 N C 1.504 177.054 175.510 0.068 0.000 1.018 311 N CA 0.377 53.489 53.050 0.104 0.000 0.876 311 N CB -0.223 38.377 38.487 0.190 0.000 0.972 311 N HN 0.183 nan 8.380 nan 0.000 0.434 312 L N 0.154 121.444 121.223 0.112 0.000 2.127 312 L HA 0.215 4.710 4.340 0.257 0.000 0.203 312 L C 1.980 178.890 176.870 0.066 0.000 1.080 312 L CA 0.947 55.854 54.840 0.113 0.000 0.768 312 L CB -0.672 41.565 42.059 0.295 0.000 0.924 312 L HN 0.096 nan 8.230 nan 0.000 0.444 313 A N 0.276 123.129 122.820 0.054 0.000 1.972 313 A HA -0.168 4.306 4.320 0.257 0.000 0.219 313 A C 1.904 179.482 177.584 -0.010 0.000 1.169 313 A CA 2.007 54.064 52.037 0.034 0.000 0.635 313 A CB -0.682 18.341 19.000 0.040 0.000 0.810 313 A HN 0.620 nan 8.150 nan 0.000 0.446 314 M N -1.763 117.798 119.600 -0.064 0.000 2.685 314 M HA 0.468 5.102 4.480 0.257 0.000 0.355 314 M C 0.278 176.531 176.300 -0.080 0.000 1.197 314 M CA -0.345 54.893 55.300 -0.103 0.000 0.947 314 M CB -0.085 32.387 32.600 -0.213 0.000 1.346 314 M HN 0.292 nan 8.290 nan 0.000 0.516 315 M N 2.957 122.528 119.600 -0.048 0.000 2.250 315 M HA 0.160 4.795 4.480 0.257 0.000 0.337 315 M C -0.383 175.873 176.300 -0.073 0.000 1.161 315 M CA 0.914 56.183 55.300 -0.051 0.000 1.088 315 M CB 0.849 33.420 32.600 -0.048 0.000 1.639 315 M HN 0.489 nan 8.290 nan 0.000 0.447 316 T N 3.733 118.236 114.554 -0.084 0.000 2.738 316 T HA 0.562 5.066 4.350 0.257 0.000 0.298 316 T C -2.609 172.029 174.700 -0.104 0.000 0.962 316 T CA -1.730 60.314 62.100 -0.093 0.000 0.972 316 T CB 0.199 69.009 68.868 -0.096 0.000 0.928 316 T HN 0.494 nan 8.240 nan 0.000 0.474 317 P HA 0.208 nan 4.420 nan 0.000 0.265 317 P C 0.522 177.755 177.300 -0.112 0.000 1.193 317 P CA -0.208 62.844 63.100 -0.080 0.000 0.765 317 P CB 0.590 32.291 31.700 0.002 0.000 0.823 318 S N 1.460 117.048 115.700 -0.186 0.000 2.603 318 S HA 0.107 4.731 4.470 0.257 0.000 0.220 318 S C 0.719 175.271 174.600 -0.080 0.000 0.967 318 S CA 0.131 58.191 58.200 -0.233 0.000 0.920 318 S CB -0.323 62.517 63.200 -0.600 0.000 0.773 318 S HN 0.366 nan 8.310 nan 0.000 0.529 319 L N 3.838 125.049 121.223 -0.020 0.000 2.272 319 L HA 0.364 4.859 4.340 0.257 0.000 0.289 319 L C -2.326 174.638 176.870 0.156 0.000 1.032 319 L CA -2.315 52.572 54.840 0.078 0.000 0.810 319 L CB 1.271 43.363 42.059 0.056 0.000 1.205 319 L HN -0.046 nan 8.230 nan 0.000 0.422 320 P HA 0.123 nan 4.420 nan 0.000 0.271 320 P C 0.664 178.033 177.300 0.115 0.000 1.216 320 P CA 0.437 63.590 63.100 0.089 0.000 0.776 320 P CB 1.340 33.070 31.700 0.050 0.000 0.881 321 G N 1.049 109.859 108.800 0.018 0.000 2.284 321 G HA2 -0.199 3.915 3.960 0.257 0.000 0.230 321 G HA3 -0.199 3.915 3.960 0.257 0.000 0.230 321 G C -0.510 174.241 174.900 -0.249 0.000 1.021 321 G CA -0.517 44.504 45.100 -0.131 0.000 0.619 321 G HN 0.432 nan 8.290 nan 0.000 0.510 322 W N 1.695 122.941 121.300 -0.090 0.000 2.316 322 W HA 0.798 5.613 4.660 0.257 0.000 0.321 322 W C 0.924 177.383 176.519 -0.100 0.000 1.203 322 W CA -0.436 56.839 57.345 -0.116 0.000 1.214 322 W CB 0.663 30.054 29.460 -0.115 0.000 1.169 322 W HN 0.094 nan 8.180 nan 0.000 0.561 323 R N 2.810 123.378 120.500 0.113 0.000 2.686 323 R HA 0.544 5.038 4.340 0.257 0.000 0.283 323 R C -1.050 175.269 176.300 0.032 0.000 0.978 323 R CA -1.087 55.026 56.100 0.021 0.000 0.897 323 R CB 2.017 32.306 30.300 -0.018 0.000 1.192 323 R HN 0.232 nan 8.270 nan 0.000 0.457 324 I N 2.414 122.945 120.570 -0.064 0.000 2.493 324 I HA 0.351 4.676 4.170 0.257 0.000 0.298 324 I C -0.315 175.687 176.117 -0.193 0.000 0.998 324 I CA -0.767 60.509 61.300 -0.039 0.000 1.137 324 I CB 1.646 39.634 38.000 -0.020 0.000 1.310 324 I HN 0.607 nan 8.210 nan 0.000 0.445 325 H N 2.707 121.806 119.070 0.047 0.000 2.600 325 H HA 0.342 5.051 4.556 0.255 0.000 0.357 325 H C -0.651 174.741 175.328 0.106 0.000 1.106 325 H CA -0.269 55.823 56.048 0.074 0.000 1.193 325 H CB 1.995 31.819 29.762 0.102 0.000 1.594 325 H HN 0.654 nan 8.280 nan 0.000 0.526 326 C N 4.310 123.727 119.300 0.195 0.000 2.415 326 C HA 0.283 4.898 4.460 0.257 0.000 0.369 326 C C 1.342 176.476 174.990 0.241 0.000 1.279 326 C CA -0.139 58.980 59.018 0.167 0.000 1.886 326 C CB -1.135 26.652 27.740 0.080 0.000 2.468 326 C HN 0.776 nan 8.230 nan 0.000 0.553 327 V N 5.202 125.278 119.914 0.269 0.000 2.908 327 V HA 0.436 4.710 4.120 0.257 0.000 0.240 327 V C 1.283 177.548 176.094 0.284 0.000 1.117 327 V CA 1.151 63.641 62.300 0.316 0.000 1.133 327 V CB -0.136 31.859 31.823 0.286 0.000 0.857 327 V HN 1.062 nan 8.190 nan 0.000 0.478 328 G N 0.181 109.123 108.800 0.237 0.000 2.632 328 G HA2 0.471 4.585 3.960 0.257 0.000 0.292 328 G HA3 0.471 4.585 3.960 0.257 0.000 0.292 328 G C -1.080 173.946 174.900 0.210 0.000 1.465 328 G CA 0.420 45.652 45.100 0.221 0.000 0.824 328 G HN 0.119 nan 8.290 nan 0.000 0.509 329 D N -1.045 119.501 120.400 0.244 0.000 2.503 329 D HA 0.201 4.996 4.640 0.257 0.000 0.218 329 D C 0.313 176.680 176.300 0.111 0.000 1.183 329 D CA 0.164 54.268 54.000 0.174 0.000 0.827 329 D CB 1.325 42.258 40.800 0.221 0.000 1.034 329 D HN 0.329 nan 8.370 nan 0.000 0.510 330 D N -0.373 120.086 120.400 0.098 0.000 2.315 330 D HA 0.282 5.076 4.640 0.257 0.000 0.272 330 D C -0.334 176.030 176.300 0.107 0.000 1.238 330 D CA 0.274 54.332 54.000 0.097 0.000 1.160 330 D CB 1.036 41.907 40.800 0.118 0.000 1.780 330 D HN 0.089 nan 8.370 nan 0.000 0.484 331 I N 1.255 121.858 120.570 0.055 0.000 2.545 331 I HA 0.698 5.022 4.170 0.257 0.000 0.292 331 I C -0.973 175.155 176.117 0.018 0.000 1.040 331 I CA -1.120 60.205 61.300 0.043 0.000 1.068 331 I CB 2.248 40.220 38.000 -0.047 0.000 1.251 331 I HN 0.053 nan 8.210 nan 0.000 0.424 332 A N 5.701 128.599 122.820 0.130 0.000 2.356 332 A HA 0.737 5.212 4.320 0.257 0.000 0.310 332 A C -1.895 175.937 177.584 0.412 0.000 1.075 332 A CA -0.377 51.764 52.037 0.173 0.000 0.746 332 A CB 0.936 20.049 19.000 0.187 0.000 1.221 332 A HN 0.613 nan 8.150 nan 0.000 0.443 333 W N 2.387 123.780 121.300 0.154 0.000 2.376 333 W HA 0.670 5.488 4.660 0.263 0.000 0.312 333 W C -0.337 176.272 176.519 0.150 0.000 1.060 333 W CA -1.101 56.382 57.345 0.229 0.000 1.221 333 W CB 1.048 30.605 29.460 0.162 0.000 1.281 333 W HN 0.514 nan 8.180 nan 0.000 0.456 334 M N 3.431 123.275 119.600 0.407 0.000 2.464 334 M HA 0.490 5.124 4.480 0.257 0.000 0.308 334 M C -0.402 175.967 176.300 0.114 0.000 1.127 334 M CA -0.824 54.577 55.300 0.168 0.000 0.913 334 M CB 3.200 35.851 32.600 0.085 0.000 1.689 334 M HN 0.262 nan 8.290 nan 0.000 0.445 335 K N 1.900 122.282 120.400 -0.030 0.000 2.523 335 K HA 0.544 5.019 4.320 0.257 0.000 0.257 335 K C -1.803 174.722 176.600 -0.126 0.000 0.932 335 K CA -0.588 55.677 56.287 -0.038 0.000 0.812 335 K CB 1.994 34.490 32.500 -0.006 0.000 1.326 335 K HN 0.463 nan 8.250 nan 0.000 0.433 336 F N 3.179 123.139 119.950 0.016 0.000 2.495 336 F HA 0.059 4.744 4.527 0.264 0.000 0.365 336 F C 1.118 176.909 175.800 -0.015 0.000 1.090 336 F CA 0.253 58.246 58.000 -0.011 0.000 1.235 336 F CB 0.510 39.486 39.000 -0.039 0.000 1.119 336 F HN 0.614 nan 8.300 nan 0.000 0.562 337 D N 0.838 121.348 120.400 0.183 0.000 2.507 337 D HA 0.084 4.879 4.640 0.257 0.000 0.280 337 D C 0.596 176.941 176.300 0.074 0.000 1.219 337 D CA -0.361 53.694 54.000 0.090 0.000 1.085 337 D CB 0.230 41.059 40.800 0.049 0.000 1.134 337 D HN 0.333 nan 8.370 nan 0.000 0.583 338 D N -1.053 119.369 120.400 0.036 0.000 2.218 338 D HA -0.111 4.683 4.640 0.257 0.000 0.204 338 D C 1.366 177.673 176.300 0.010 0.000 0.976 338 D CA 1.061 55.070 54.000 0.016 0.000 0.853 338 D CB -0.081 40.722 40.800 0.006 0.000 0.939 338 D HN 0.445 nan 8.370 nan 0.000 0.481 339 E N -0.754 119.459 120.200 0.022 0.000 2.481 339 E HA 0.173 4.677 4.350 0.257 0.000 0.195 339 E C 1.273 177.882 176.600 0.016 0.000 1.047 339 E CA 0.551 56.961 56.400 0.017 0.000 0.867 339 E CB 0.051 29.767 29.700 0.026 0.000 0.858 339 E HN 0.253 nan 8.360 nan 0.000 0.513 340 G N 0.993 109.814 108.800 0.034 0.000 2.143 340 G HA2 -0.344 3.770 3.960 0.257 0.000 0.248 340 G HA3 -0.344 3.770 3.960 0.257 0.000 0.248 340 G C 0.086 175.096 174.900 0.183 0.000 0.991 340 G CA 0.161 45.270 45.100 0.015 0.000 0.689 340 G HN 0.153 nan 8.290 nan 0.000 0.522 341 R N -0.521 120.105 120.500 0.211 0.000 2.308 341 R HA 0.445 4.939 4.340 0.257 0.000 0.305 341 R C 0.175 176.623 176.300 0.248 0.000 1.053 341 R CA -0.884 55.354 56.100 0.230 0.000 0.957 341 R CB 1.121 31.490 30.300 0.115 0.000 1.022 341 R HN 0.193 nan 8.270 nan 0.000 0.461 342 L N 4.682 125.994 121.223 0.149 0.000 2.456 342 L HA 0.085 4.580 4.340 0.257 0.000 0.277 342 L C -0.141 176.666 176.870 -0.104 0.000 1.124 342 L CA 0.728 55.412 54.840 -0.260 0.000 0.880 342 L CB 0.072 41.898 42.059 -0.389 0.000 1.192 342 L HN 0.356 nan 8.230 nan 0.000 0.463 343 R N 4.781 125.215 120.500 -0.109 0.000 2.393 343 R HA 0.749 5.243 4.340 0.257 0.000 0.310 343 R C -0.794 175.479 176.300 -0.044 0.000 0.968 343 R CA -0.576 55.487 56.100 -0.061 0.000 0.867 343 R CB 1.645 31.917 30.300 -0.047 0.000 1.124 343 R HN 0.729 nan 8.270 nan 0.000 0.450 344 A N 4.271 127.070 122.820 -0.035 0.000 2.342 344 A HA 0.695 5.169 4.320 0.257 0.000 0.323 344 A C -0.139 177.445 177.584 -0.000 0.000 1.125 344 A CA -0.850 51.198 52.037 0.019 0.000 0.785 344 A CB 0.901 19.929 19.000 0.047 0.000 1.221 344 A HN 0.793 nan 8.150 nan 0.000 0.463 345 I N -0.519 120.078 120.570 0.045 0.000 2.740 345 I HA 0.618 4.942 4.170 0.257 0.000 0.303 345 I C -0.468 175.639 176.117 -0.017 0.000 1.044 345 I CA -0.995 60.307 61.300 0.002 0.000 1.064 345 I CB 2.145 40.135 38.000 -0.017 0.000 1.249 345 I HN 0.484 nan 8.210 nan 0.000 0.433 346 N N 5.724 124.406 118.700 -0.029 0.000 2.420 346 N HA 0.387 5.281 4.740 0.257 0.000 0.249 346 N C -1.801 173.587 175.510 -0.204 0.000 1.033 346 N CA -2.579 50.431 53.050 -0.066 0.000 0.944 346 N CB 1.063 39.606 38.487 0.094 0.000 1.113 346 N HN 0.461 nan 8.380 nan 0.000 0.502 347 P HA 0.006 nan 4.420 nan 0.000 0.241 347 P C -0.521 176.602 177.300 -0.294 0.000 1.191 347 P CA 0.762 63.488 63.100 -0.623 0.000 0.771 347 P CB 0.492 31.283 31.700 -1.516 0.000 0.929 348 E N -0.239 119.854 120.200 -0.178 0.000 2.250 348 E HA 0.332 4.836 4.350 0.257 0.000 0.265 348 E C 0.542 177.149 176.600 0.012 0.000 1.033 348 E CA -0.731 55.615 56.400 -0.090 0.000 0.888 348 E CB 1.615 31.249 29.700 -0.110 0.000 1.151 348 E HN -0.128 nan 8.360 nan 0.000 0.412 349 R N 0.071 120.562 120.500 -0.016 0.000 2.437 349 R HA 0.212 4.706 4.340 0.257 0.000 0.257 349 R C -0.058 176.144 176.300 -0.162 0.000 0.927 349 R CA 0.065 56.196 56.100 0.052 0.000 1.078 349 R CB 0.788 31.123 30.300 0.059 0.000 1.161 349 R HN 0.550 nan 8.270 nan 0.000 0.529 350 G N -0.623 107.994 108.800 -0.305 0.000 2.687 350 G HA2 0.458 4.573 3.960 0.257 0.000 0.291 350 G HA3 0.458 4.573 3.960 0.257 0.000 0.291 350 G C -1.594 172.985 174.900 -0.535 0.000 1.420 350 G CA -0.639 44.195 45.100 -0.443 0.000 0.796 350 G HN 0.001 nan 8.290 nan 0.000 0.485 351 F N -0.149 119.824 119.950 0.039 0.000 2.458 351 F HA 0.573 5.237 4.527 0.228 0.000 0.336 351 F C -0.562 175.302 175.800 0.107 0.000 1.114 351 F CA -1.063 56.984 58.000 0.078 0.000 0.987 351 F CB 2.237 41.316 39.000 0.132 0.000 1.130 351 F HN 0.289 nan 8.300 nan 0.000 0.458 352 F N 2.943 122.912 119.950 0.032 0.000 2.389 352 F HA 0.678 5.327 4.527 0.203 0.000 0.327 352 F C 0.185 175.813 175.800 -0.286 0.000 1.204 352 F CA -0.970 56.948 58.000 -0.137 0.000 1.209 352 F CB 0.094 39.018 39.000 -0.127 0.000 1.460 352 F HN 0.467 nan 8.300 nan 0.000 0.537 353 G N 2.438 110.719 108.800 -0.865 0.000 2.367 353 G HA2 0.466 4.580 3.960 0.257 0.000 0.314 353 G HA3 0.466 4.580 3.960 0.257 0.000 0.314 353 G C -0.871 173.249 174.900 -1.300 0.000 1.130 353 G CA -0.698 43.742 45.100 -1.100 0.000 0.864 353 G HN 0.246 nan 8.290 nan 0.000 0.486 354 V N 1.881 121.371 119.914 -0.706 0.000 2.539 354 V HA 0.136 4.411 4.120 0.257 0.000 0.300 354 V C 1.512 177.288 176.094 -0.530 0.000 1.019 354 V CA 0.930 62.922 62.300 -0.514 0.000 1.160 354 V CB 0.528 32.196 31.823 -0.259 0.000 0.901 354 V HN 0.985 nan 8.190 nan 0.000 0.481 355 A N 7.817 130.295 122.820 -0.571 0.000 1.861 355 A HA 0.203 4.678 4.320 0.257 0.000 0.212 355 A C -1.318 175.638 177.584 -1.046 0.000 1.199 355 A CA 0.409 51.955 52.037 -0.818 0.000 0.613 355 A CB -1.028 17.383 19.000 -0.982 0.000 0.846 355 A HN 0.723 nan 8.150 nan 0.000 0.446 356 P HA 0.226 nan 4.420 nan 0.000 0.261 356 P C 0.834 178.037 177.300 -0.162 0.000 1.173 356 P CA 2.062 64.953 63.100 -0.349 0.000 0.760 356 P CB 0.412 32.015 31.700 -0.162 0.000 0.783 357 G N 1.761 110.579 108.800 0.030 0.000 2.258 357 G HA2 -0.219 3.895 3.960 0.257 0.000 0.233 357 G HA3 -0.219 3.895 3.960 0.257 0.000 0.233 357 G C 0.271 175.215 174.900 0.074 0.000 1.006 357 G CA -0.007 45.140 45.100 0.078 0.000 0.620 357 G HN 0.587 nan 8.290 nan 0.000 0.511 358 T N 2.170 116.781 114.554 0.096 0.000 2.817 358 T HA 0.531 5.036 4.350 0.257 0.000 0.295 358 T C 0.480 175.365 174.700 0.308 0.000 0.958 358 T CA 1.034 63.238 62.100 0.174 0.000 1.157 358 T CB 1.166 70.116 68.868 0.136 0.000 0.898 358 T HN 1.549 nan 8.240 nan 0.000 0.536 359 S N 0.924 116.668 115.700 0.074 0.000 2.656 359 S HA 0.448 5.072 4.470 0.257 0.000 0.273 359 S C 1.252 175.820 174.600 -0.053 0.000 1.168 359 S CA -0.256 57.953 58.200 0.015 0.000 0.817 359 S CB 1.102 64.280 63.200 -0.037 0.000 1.146 359 S HN 0.568 nan 8.310 nan 0.000 0.475 360 S N 0.041 115.705 115.700 -0.059 0.000 2.507 360 S HA -0.033 4.591 4.470 0.257 0.000 0.235 360 S C 1.567 176.104 174.600 -0.106 0.000 0.988 360 S CA 0.695 58.851 58.200 -0.074 0.000 0.944 360 S CB -0.506 62.659 63.200 -0.058 0.000 0.762 360 S HN 0.688 nan 8.310 nan 0.000 0.526 361 R N 0.976 121.394 120.500 -0.138 0.000 2.075 361 R HA -0.021 4.474 4.340 0.257 0.000 0.220 361 R C 2.489 178.618 176.300 -0.285 0.000 1.118 361 R CA 1.703 57.692 56.100 -0.185 0.000 0.986 361 R CB -0.534 29.656 30.300 -0.184 0.000 0.884 361 R HN 0.703 nan 8.270 nan 0.000 0.439 362 T N -2.046 112.274 114.554 -0.389 0.000 2.939 362 T HA 0.023 4.528 4.350 0.257 0.000 0.254 362 T C 0.925 175.482 174.700 -0.239 0.000 1.041 362 T CA 0.539 62.252 62.100 -0.646 0.000 1.142 362 T CB 0.090 68.393 68.868 -0.941 0.000 0.874 362 T HN 0.021 nan 8.240 nan 0.000 0.452 363 N N 1.432 120.044 118.700 -0.146 0.000 2.732 363 N HA 0.282 5.176 4.740 0.257 0.000 0.235 363 N C -2.544 172.912 175.510 -0.090 0.000 1.466 363 N CA -1.733 51.271 53.050 -0.077 0.000 0.751 363 N CB 1.564 40.036 38.487 -0.025 0.000 1.317 363 N HN 0.030 nan 8.380 nan 0.000 0.525 364 P HA -0.081 nan 4.420 nan 0.000 0.218 364 P C 0.852 178.093 177.300 -0.098 0.000 1.148 364 P CA 0.981 64.028 63.100 -0.088 0.000 0.822 364 P CB 0.572 32.222 31.700 -0.084 0.000 0.784 365 N N 0.325 118.961 118.700 -0.108 0.000 2.166 365 N HA -0.104 4.791 4.740 0.257 0.000 0.186 365 N C 1.883 177.292 175.510 -0.169 0.000 1.019 365 N CA 1.539 54.514 53.050 -0.126 0.000 0.856 365 N CB -0.818 37.591 38.487 -0.130 0.000 0.993 365 N HN 0.123 nan 8.380 nan 0.000 0.426 366 A N 1.290 123.994 122.820 -0.193 0.000 1.930 366 A HA -0.057 4.418 4.320 0.257 0.000 0.217 366 A C 2.223 179.622 177.584 -0.307 0.000 1.175 366 A CA 1.008 52.864 52.037 -0.301 0.000 0.627 366 A CB -0.280 18.553 19.000 -0.278 0.000 0.815 366 A HN 0.088 nan 8.150 nan 0.000 0.443 367 M N -0.222 119.271 119.600 -0.179 0.000 2.108 367 M HA -0.162 4.472 4.480 0.257 0.000 0.261 367 M C 2.469 178.697 176.300 -0.120 0.000 1.066 367 M CA 1.751 56.978 55.300 -0.121 0.000 1.107 367 M CB -1.466 31.093 32.600 -0.069 0.000 1.356 367 M HN 0.490 nan 8.290 nan 0.000 0.406 368 A N -0.378 122.377 122.820 -0.109 0.000 1.969 368 A HA -0.093 4.382 4.320 0.257 0.000 0.218 368 A C 2.290 179.821 177.584 -0.088 0.000 1.169 368 A CA 1.935 53.923 52.037 -0.082 0.000 0.635 368 A CB -0.933 18.027 19.000 -0.066 0.000 0.810 368 A HN 0.494 nan 8.150 nan 0.000 0.445 369 T N 0.783 115.260 114.554 -0.129 0.000 2.777 369 T HA -0.071 4.433 4.350 0.257 0.000 0.266 369 T C 1.631 176.258 174.700 -0.121 0.000 1.040 369 T CA 1.483 63.518 62.100 -0.108 0.000 1.141 369 T CB -0.445 68.343 68.868 -0.134 0.000 0.868 369 T HN 0.725 nan 8.240 nan 0.000 0.444 370 I N -0.724 119.721 120.570 -0.208 0.000 3.812 370 I HA 0.501 4.826 4.170 0.257 0.000 0.320 370 I C 2.098 178.159 176.117 -0.093 0.000 1.276 370 I CA -0.138 61.039 61.300 -0.206 0.000 1.164 370 I CB -0.326 37.463 38.000 -0.352 0.000 1.009 370 I HN 0.031 nan 8.210 nan 0.000 0.431 371 A N 2.470 125.233 122.820 -0.095 0.000 2.119 371 A HA 0.053 4.527 4.320 0.257 0.000 0.217 371 A C 1.219 178.809 177.584 0.010 0.000 1.153 371 A CA 0.552 52.536 52.037 -0.088 0.000 0.692 371 A CB -0.146 18.834 19.000 -0.034 0.000 0.799 371 A HN 0.740 nan 8.150 nan 0.000 0.458 372 R N -2.765 117.751 120.500 0.026 0.000 2.707 372 R HA 0.373 4.867 4.340 0.257 0.000 0.272 372 R C -1.048 175.297 176.300 0.074 0.000 1.011 372 R CA -0.579 55.566 56.100 0.076 0.000 0.893 372 R CB 0.388 30.730 30.300 0.069 0.000 1.233 372 R HN 0.004 nan 8.270 nan 0.000 0.464 373 N N -0.158 118.615 118.700 0.121 0.000 2.721 373 N HA -0.145 4.750 4.740 0.257 0.000 0.249 373 N C -1.191 174.379 175.510 0.101 0.000 1.072 373 N CA 1.752 54.882 53.050 0.134 0.000 0.710 373 N CB -1.060 37.483 38.487 0.094 0.000 0.993 373 N HN 0.739 nan 8.380 nan 0.000 0.547 374 T N 0.717 115.329 114.554 0.096 0.000 2.841 374 T HA 0.641 5.145 4.350 0.257 0.000 0.283 374 T C 0.725 175.432 174.700 0.013 0.000 1.000 374 T CA -0.491 61.579 62.100 -0.051 0.000 0.977 374 T CB 1.889 70.587 68.868 -0.282 0.000 0.979 374 T HN 0.058 nan 8.240 nan 0.000 0.446 375 I N 3.340 123.895 120.570 -0.024 0.000 2.321 375 I HA 0.394 4.718 4.170 0.257 0.000 0.291 375 I C -0.741 175.387 176.117 0.018 0.000 0.998 375 I CA -0.592 60.784 61.300 0.126 0.000 1.227 375 I CB 0.656 38.723 38.000 0.113 0.000 1.368 375 I HN 0.501 nan 8.210 nan 0.000 0.466 376 F N 3.685 123.823 119.950 0.314 0.000 2.399 376 F HA 0.456 5.140 4.527 0.262 0.000 0.334 376 F C 0.554 176.527 175.800 0.287 0.000 1.097 376 F CA -0.401 57.770 58.000 0.285 0.000 1.076 376 F CB 1.681 40.866 39.000 0.309 0.000 1.162 376 F HN 0.256 nan 8.300 nan 0.000 0.495 377 T N 3.092 117.874 114.554 0.380 0.000 2.840 377 T HA 0.251 4.755 4.350 0.257 0.000 0.287 377 T C -0.298 174.498 174.700 0.161 0.000 0.991 377 T CA -0.815 61.450 62.100 0.274 0.000 0.964 377 T CB 0.847 69.877 68.868 0.270 0.000 0.954 377 T HN 0.612 nan 8.240 nan 0.000 0.438 378 N N 0.203 118.998 118.700 0.158 0.000 2.782 378 N HA -0.139 4.755 4.740 0.257 0.000 0.251 378 N C 0.174 175.780 175.510 0.161 0.000 1.101 378 N CA 1.096 54.229 53.050 0.137 0.000 0.764 378 N CB -1.840 36.577 38.487 -0.117 0.000 1.122 378 N HN 0.698 nan 8.380 nan 0.000 0.561 379 V N -2.672 117.381 119.914 0.230 0.000 3.262 379 V HA 0.914 5.189 4.120 0.257 0.000 0.313 379 V C 1.357 177.579 176.094 0.212 0.000 1.070 379 V CA -0.110 62.339 62.300 0.248 0.000 1.049 379 V CB 1.119 33.182 31.823 0.400 0.000 1.157 379 V HN 0.156 nan 8.190 nan 0.000 0.454 380 G N 0.398 109.293 108.800 0.160 0.000 2.503 380 G HA2 0.502 4.616 3.960 0.257 0.000 0.257 380 G HA3 0.502 4.616 3.960 0.257 0.000 0.257 380 G C -0.958 174.017 174.900 0.125 0.000 1.214 380 G CA -0.406 44.764 45.100 0.118 0.000 0.839 380 G HN 1.056 nan 8.290 nan 0.000 0.559 381 L N 0.936 122.224 121.223 0.107 0.000 2.322 381 L HA 0.600 5.094 4.340 0.257 0.000 0.281 381 L C 0.522 177.430 176.870 0.064 0.000 1.014 381 L CA -0.779 54.101 54.840 0.066 0.000 0.815 381 L CB 1.423 43.495 42.059 0.021 0.000 1.247 381 L HN 0.564 nan 8.230 nan 0.000 0.421 382 R N 1.496 121.997 120.500 0.002 0.000 2.549 382 R HA 0.373 4.868 4.340 0.257 0.000 0.259 382 R C 1.083 177.303 176.300 -0.135 0.000 1.095 382 R CA 0.205 56.238 56.100 -0.112 0.000 1.148 382 R CB 1.070 31.285 30.300 -0.141 0.000 1.181 382 R HN 0.848 nan 8.270 nan 0.000 0.571 383 S N -0.448 115.131 115.700 -0.201 0.000 2.470 383 S HA -0.102 4.522 4.470 0.257 0.000 0.225 383 S C 1.033 175.551 174.600 -0.138 0.000 1.006 383 S CA 0.834 58.945 58.200 -0.149 0.000 0.934 383 S CB -0.075 63.032 63.200 -0.156 0.000 0.778 383 S HN 0.742 nan 8.310 nan 0.000 0.517 384 D N 0.913 121.217 120.400 -0.161 0.000 2.340 384 D HA 0.211 5.005 4.640 0.257 0.000 0.220 384 D C 1.365 177.558 176.300 -0.179 0.000 1.039 384 D CA 0.611 54.519 54.000 -0.153 0.000 0.866 384 D CB -0.640 40.070 40.800 -0.150 0.000 0.913 384 D HN 0.562 nan 8.370 nan 0.000 0.523 385 G N -0.882 107.816 108.800 -0.171 0.000 2.157 385 G HA2 -0.140 3.975 3.960 0.257 0.000 0.248 385 G HA3 -0.140 3.975 3.960 0.257 0.000 0.248 385 G C 0.571 175.294 174.900 -0.294 0.000 0.979 385 G CA 0.075 45.058 45.100 -0.195 0.000 0.650 385 G HN 0.808 nan 8.290 nan 0.000 0.529 386 G N -1.298 107.336 108.800 -0.277 0.000 2.642 386 G HA2 0.871 4.985 3.960 0.257 0.000 0.291 386 G HA3 0.871 4.985 3.960 0.257 0.000 0.291 386 G C 0.285 175.174 174.900 -0.019 0.000 1.345 386 G CA 0.259 45.208 45.100 -0.250 0.000 1.043 386 G HN 1.496 nan 8.290 nan 0.000 0.528 387 V N -2.935 117.005 119.914 0.043 0.000 2.975 387 V HA 0.834 5.108 4.120 0.257 0.000 0.318 387 V C -0.998 175.009 176.094 -0.144 0.000 1.077 387 V CA -1.198 61.033 62.300 -0.115 0.000 1.000 387 V CB 1.619 33.194 31.823 -0.413 0.000 1.066 387 V HN 0.753 nan 8.190 nan 0.000 0.452 388 Y N 2.229 122.375 120.300 -0.256 0.000 2.504 388 Y HA 0.763 5.470 4.550 0.261 0.000 0.344 388 Y C -1.447 174.314 175.900 -0.232 0.000 1.023 388 Y CA -1.158 56.728 58.100 -0.358 0.000 1.020 388 Y CB 2.084 40.480 38.460 -0.107 0.000 1.282 388 Y HN 1.072 nan 8.280 nan 0.000 0.454 389 W N 3.279 123.942 121.300 -1.061 0.000 3.075 389 W HA 0.491 5.314 4.660 0.273 0.000 0.334 389 W C -1.413 174.476 176.519 -1.050 0.000 1.243 389 W CA -1.298 55.549 57.345 -0.830 0.000 1.170 389 W CB 0.290 29.531 29.460 -0.365 0.000 1.452 389 W HN 0.511 nan 8.180 nan 0.000 0.572 390 D N 0.740 120.999 120.400 -0.235 0.000 2.520 390 D HA 0.338 5.132 4.640 0.257 0.000 0.243 390 D C 1.206 177.549 176.300 0.072 0.000 1.160 390 D CA 2.930 56.909 54.000 -0.034 0.000 0.877 390 D CB 0.546 41.391 40.800 0.074 0.000 1.150 390 D HN 1.048 nan 8.370 nan 0.000 0.494 391 G N 2.880 111.700 108.800 0.034 0.000 2.284 391 G HA2 -0.251 3.864 3.960 0.257 0.000 0.216 391 G HA3 -0.251 3.864 3.960 0.257 0.000 0.216 391 G C 0.256 175.158 174.900 0.003 0.000 1.009 391 G CA -0.011 45.130 45.100 0.068 0.000 0.625 391 G HN 0.621 nan 8.290 nan 0.000 0.501 392 L N 2.807 123.904 121.223 -0.209 0.000 2.499 392 L HA 0.513 5.007 4.340 0.257 0.000 0.273 392 L C 0.610 177.411 176.870 -0.116 0.000 1.195 392 L CA 0.794 55.431 54.840 -0.339 0.000 0.882 392 L CB 0.749 42.172 42.059 -1.059 0.000 1.133 392 L HN 0.380 nan 8.230 nan 0.000 0.483 393 D N 2.915 123.273 120.400 -0.070 0.000 2.696 393 D HA 0.044 4.838 4.640 0.257 0.000 0.269 393 D C 0.100 176.388 176.300 -0.021 0.000 1.319 393 D CA -0.323 53.666 54.000 -0.019 0.000 0.826 393 D CB -0.185 40.602 40.800 -0.022 0.000 1.086 393 D HN 0.605 nan 8.370 nan 0.000 0.481 394 E N 1.794 121.973 120.200 -0.036 0.000 2.324 394 E HA 0.166 4.670 4.350 0.257 0.000 0.271 394 E C -1.983 174.621 176.600 0.007 0.000 1.028 394 E CA -1.615 54.776 56.400 -0.016 0.000 0.890 394 E CB 0.666 30.352 29.700 -0.022 0.000 1.004 394 E HN -0.015 nan 8.360 nan 0.000 0.431 395 P HA -0.037 nan 4.420 nan 0.000 0.262 395 P C -0.889 176.410 177.300 -0.002 0.000 1.182 395 P CA 0.297 63.397 63.100 -0.001 0.000 0.761 395 P CB 0.820 32.516 31.700 -0.007 0.000 0.795 396 T N 0.989 115.541 114.554 -0.003 0.000 2.893 396 T HA 0.572 5.077 4.350 0.257 0.000 0.293 396 T C -0.483 174.199 174.700 -0.030 0.000 1.027 396 T CA -0.403 61.687 62.100 -0.017 0.000 0.988 396 T CB 0.735 69.604 68.868 0.002 0.000 1.043 396 T HN 0.356 nan 8.240 nan 0.000 0.461 397 E N 3.448 123.619 120.200 -0.049 0.000 2.390 397 E HA 0.481 4.986 4.350 0.257 0.000 0.261 397 E C -2.572 173.998 176.600 -0.050 0.000 1.076 397 E CA -1.574 54.797 56.400 -0.049 0.000 0.905 397 E CB -0.823 nan 29.700 nan 0.000 0.984 397 E HN 0.643 nan 8.360 nan 0.000 0.427 398 P HA 0.348 nan 4.420 nan 0.000 0.268 398 P C 0.882 178.152 177.300 -0.049 0.000 1.205 398 P CA 1.446 64.524 63.100 -0.038 0.000 0.771 398 P CB 1.116 32.797 31.700 -0.031 0.000 0.858 399 G N 0.868 109.640 108.800 -0.047 0.000 2.176 399 G HA2 -0.222 3.892 3.960 0.257 0.000 0.253 399 G HA3 -0.222 3.892 3.960 0.257 0.000 0.253 399 G C 0.158 174.999 174.900 -0.098 0.000 0.979 399 G CA -0.195 44.870 45.100 -0.057 0.000 0.641 399 G HN 0.553 nan 8.290 nan 0.000 0.530 400 V N 2.393 122.224 119.914 -0.138 0.000 2.585 400 V HA 0.479 4.753 4.120 0.257 0.000 0.296 400 V C 1.270 177.124 176.094 -0.400 0.000 1.035 400 V CA 0.991 63.139 62.300 -0.254 0.000 1.084 400 V CB 0.997 32.654 31.823 -0.277 0.000 0.953 400 V HN 0.780 nan 8.190 nan 0.000 0.483 401 T N 2.985 117.292 114.554 -0.412 0.000 2.949 401 T HA 0.747 5.251 4.350 0.257 0.000 0.287 401 T C -1.038 173.353 174.700 -0.514 0.000 1.034 401 T CA -0.687 61.197 62.100 -0.361 0.000 1.018 401 T CB 1.509 70.303 68.868 -0.123 0.000 1.135 401 T HN 0.337 nan 8.240 nan 0.000 0.532 402 Y N -0.373 119.951 120.300 0.040 0.000 2.499 402 Y HA 0.625 5.329 4.550 0.257 0.000 0.347 402 Y C 0.502 176.456 175.900 0.091 0.000 0.987 402 Y CA -1.016 57.123 58.100 0.065 0.000 1.044 402 Y CB 2.489 41.035 38.460 0.143 0.000 1.245 402 Y HN 0.911 nan 8.280 nan 0.000 0.461 403 T N 0.793 115.467 114.554 0.200 0.000 2.807 403 T HA 0.535 5.039 4.350 0.257 0.000 0.279 403 T C -0.097 174.662 174.700 0.098 0.000 0.993 403 T CA -0.682 61.496 62.100 0.130 0.000 0.970 403 T CB 0.576 69.470 68.868 0.043 0.000 0.950 403 T HN 0.795 nan 8.240 nan 0.000 0.441 404 S N 4.959 120.705 115.700 0.078 0.000 2.617 404 S HA 0.167 4.791 4.470 0.257 0.000 0.259 404 S C 1.590 176.208 174.600 0.030 0.000 1.301 404 S CA -0.530 57.676 58.200 0.010 0.000 0.984 404 S CB 0.147 63.343 63.200 -0.007 0.000 0.954 404 S HN 1.006 nan 8.310 nan 0.000 0.572 405 W N 0.268 121.547 121.300 -0.035 0.000 2.538 405 W HA 0.048 4.868 4.660 0.267 0.000 0.254 405 W C 0.539 177.053 176.519 -0.008 0.000 1.249 405 W CA 0.175 57.513 57.345 -0.011 0.000 1.253 405 W CB -1.086 28.378 29.460 0.006 0.000 1.130 405 W HN 0.518 nan 8.180 nan 0.000 0.618 406 L N 1.358 122.160 121.223 -0.702 0.000 2.628 406 L HA 0.308 4.802 4.340 0.257 0.000 0.229 406 L C 1.641 178.338 176.870 -0.288 0.000 1.137 406 L CA 0.544 54.975 54.840 -0.681 0.000 0.909 406 L CB -0.801 40.775 42.059 -0.805 0.000 1.137 406 L HN 0.162 nan 8.230 nan 0.000 0.470 407 G N 1.260 109.958 108.800 -0.170 0.000 2.273 407 G HA2 -0.290 3.825 3.960 0.257 0.000 0.280 407 G HA3 -0.290 3.825 3.960 0.257 0.000 0.280 407 G C 0.041 174.904 174.900 -0.062 0.000 1.047 407 G CA 0.382 45.427 45.100 -0.092 0.000 0.869 407 G HN 0.398 nan 8.290 nan 0.000 0.502 408 K N -0.320 120.051 120.400 -0.049 0.000 2.350 408 K HA 0.622 5.096 4.320 0.257 0.000 0.241 408 K C -2.569 174.065 176.600 0.057 0.000 0.994 408 K CA -2.373 53.910 56.287 -0.007 0.000 0.839 408 K CB 1.941 34.428 32.500 -0.021 0.000 1.244 408 K HN -0.036 nan 8.250 nan 0.000 0.443 409 P HA 0.040 nan 4.420 nan 0.000 0.269 409 P C -1.541 175.876 177.300 0.194 0.000 1.215 409 P CA -0.160 63.003 63.100 0.105 0.000 0.780 409 P CB 0.345 32.074 31.700 0.049 0.000 0.898 410 W N 2.557 123.864 121.300 0.012 0.000 3.211 410 W HA 0.404 5.221 4.660 0.261 0.000 0.335 410 W C -1.333 175.169 176.519 -0.028 0.000 1.113 410 W CA -0.440 56.896 57.345 -0.014 0.000 1.235 410 W CB 1.699 31.149 29.460 -0.017 0.000 1.365 410 W HN 0.180 nan 8.180 nan 0.000 0.476 411 K N 3.593 123.498 120.400 -0.826 0.000 2.340 411 K HA 0.399 4.873 4.320 0.257 0.000 0.244 411 K C -0.570 175.069 176.600 -1.602 0.000 0.973 411 K CA -1.139 54.658 56.287 -0.817 0.000 0.828 411 K CB 1.470 33.741 32.500 -0.381 0.000 1.226 411 K HN 0.354 nan 8.250 nan 0.000 0.437 412 H N 0.265 118.812 119.070 -0.873 0.000 2.848 412 H HA 0.108 4.818 4.556 0.257 0.000 0.317 412 H C 0.177 175.287 175.328 -0.364 0.000 1.046 412 H CA 0.039 55.749 56.048 -0.562 0.000 1.470 412 H CB 0.950 30.584 29.762 -0.214 0.000 1.483 412 H HN 0.763 nan 8.280 nan 0.000 0.548 413 G N 3.895 112.585 108.800 -0.183 0.000 2.866 413 G HA2 0.113 4.228 3.960 0.257 0.000 0.318 413 G HA3 0.113 4.228 3.960 0.257 0.000 0.318 413 G C -0.483 174.289 174.900 -0.214 0.000 1.336 413 G CA -0.577 44.416 45.100 -0.177 0.000 1.067 413 G HN 0.472 nan 8.290 nan 0.000 0.515 414 D N 3.339 123.487 120.400 -0.421 0.000 2.341 414 D HA 0.221 5.015 4.640 0.257 0.000 0.245 414 D C -0.858 175.426 176.300 -0.027 0.000 1.106 414 D CA -1.769 52.064 54.000 -0.277 0.000 0.905 414 D CB 1.830 42.336 40.800 -0.490 0.000 1.202 414 D HN 0.099 nan 8.370 nan 0.000 0.426 415 P HA -0.202 nan 4.420 nan 0.000 0.222 415 P C 0.215 177.585 177.300 0.116 0.000 1.154 415 P CA 1.552 64.682 63.100 0.050 0.000 0.874 415 P CB 0.107 31.826 31.700 0.032 0.000 0.787 416 E N -0.457 119.856 120.200 0.187 0.000 2.212 416 E HA 0.392 4.896 4.350 0.257 0.000 0.270 416 E C -2.730 174.142 176.600 0.454 0.000 0.956 416 E CA -3.039 53.523 56.400 0.270 0.000 0.825 416 E CB 0.844 30.699 29.700 0.259 0.000 1.167 416 E HN 0.070 nan 8.360 nan 0.000 0.400 417 P HA 0.075 nan 4.420 nan 0.000 0.277 417 P C 0.576 177.864 177.300 -0.019 0.000 1.240 417 P CA -0.435 62.807 63.100 0.237 0.000 0.798 417 P CB 1.297 33.050 31.700 0.088 0.000 0.979 418 C N 2.237 121.104 119.300 -0.721 0.000 2.429 418 C HA 0.115 4.729 4.460 0.257 0.000 0.277 418 C C 1.335 176.221 174.990 -0.172 0.000 1.262 418 C CA 1.354 59.713 59.018 -1.097 0.000 1.733 418 C CB -1.335 25.393 27.740 -1.687 0.000 2.010 418 C HN 0.682 nan 8.230 nan 0.000 0.483 419 A N -0.335 122.421 122.820 -0.106 0.000 2.325 419 A HA 0.517 4.991 4.320 0.257 0.000 0.333 419 A C -0.390 177.069 177.584 -0.209 0.000 1.155 419 A CA -0.345 51.681 52.037 -0.019 0.000 0.814 419 A CB -0.079 18.936 19.000 0.025 0.000 1.206 419 A HN 0.659 nan 8.150 nan 0.000 0.482 420 H N 2.189 120.834 119.070 -0.708 0.000 2.815 420 H HA 0.083 4.792 4.556 0.253 0.000 0.350 420 H C -1.728 173.328 175.328 -0.453 0.000 1.080 420 H CA -0.876 54.622 56.048 -0.917 0.000 1.433 420 H CB 1.188 30.080 29.762 -1.449 0.000 1.432 420 H HN 0.284 nan 8.280 nan 0.000 0.592 421 P HA -0.117 nan 4.420 nan 0.000 0.223 421 P C 0.606 177.757 177.300 -0.248 0.000 1.144 421 P CA 1.316 64.169 63.100 -0.413 0.000 0.783 421 P CB 0.268 31.713 31.700 -0.426 0.000 0.771 422 N N -1.290 117.358 118.700 -0.087 0.000 2.234 422 N HA 0.022 4.917 4.740 0.257 0.000 0.227 422 N C -0.408 175.076 175.510 -0.043 0.000 1.151 422 N CA -0.175 52.877 53.050 0.004 0.000 0.865 422 N CB -0.075 38.448 38.487 0.060 0.000 1.066 422 N HN -0.051 nan 8.380 nan 0.000 0.515 423 S N -0.110 115.527 115.700 -0.105 0.000 2.573 423 S HA 0.313 4.937 4.470 0.257 0.000 0.277 423 S C 0.114 174.568 174.600 -0.242 0.000 1.346 423 S CA -0.298 57.817 58.200 -0.141 0.000 1.034 423 S CB 1.146 64.281 63.200 -0.108 0.000 0.879 423 S HN 0.106 nan 8.310 nan 0.000 0.528 424 R N 0.656 121.023 120.500 -0.221 0.000 2.771 424 R HA 0.484 4.978 4.340 0.257 0.000 0.274 424 R C -1.137 175.021 176.300 -0.236 0.000 0.987 424 R CA -0.660 55.159 56.100 -0.468 0.000 0.908 424 R CB 1.462 31.284 30.300 -0.796 0.000 1.213 424 R HN 0.791 nan 8.270 nan 0.000 0.468 425 F N -1.275 118.502 119.950 -0.289 0.000 2.458 425 F HA 0.647 5.339 4.527 0.275 0.000 0.330 425 F C -0.118 175.544 175.800 -0.231 0.000 1.082 425 F CA -1.384 56.406 58.000 -0.350 0.000 0.995 425 F CB 1.181 39.931 39.000 -0.416 0.000 1.170 425 F HN 0.286 nan 8.300 nan 0.000 0.478 426 C N 4.018 123.334 119.300 0.027 0.000 2.386 426 C HA 0.900 5.515 4.460 0.257 0.000 0.318 426 C C -0.351 174.676 174.990 0.062 0.000 1.128 426 C CA -0.069 59.016 59.018 0.112 0.000 1.438 426 C CB -1.064 26.745 27.740 0.115 0.000 1.987 426 C HN 1.134 nan 8.230 nan 0.000 0.426 427 A N 7.209 130.114 122.820 0.142 0.000 2.435 427 A HA 0.939 5.413 4.320 0.257 0.000 0.304 427 A C -3.019 174.595 177.584 0.050 0.000 1.064 427 A CA -1.331 50.758 52.037 0.088 0.000 0.727 427 A CB 1.493 20.560 19.000 0.112 0.000 1.284 427 A HN 0.587 nan 8.150 nan 0.000 0.415 428 P HA 0.310 nan 4.420 nan 0.000 0.275 428 P C 0.831 178.049 177.300 -0.137 0.000 1.227 428 P CA 0.305 63.362 63.100 -0.071 0.000 0.781 428 P CB 1.149 32.836 31.700 -0.022 0.000 0.906 429 A N 3.462 126.054 122.820 -0.381 0.000 1.940 429 A HA -0.233 4.241 4.320 0.257 0.000 0.219 429 A C 1.617 178.971 177.584 -0.385 0.000 1.176 429 A CA 2.194 53.833 52.037 -0.664 0.000 0.631 429 A CB -1.547 16.764 19.000 -1.148 0.000 0.814 429 A HN 0.648 nan 8.150 nan 0.000 0.446 430 D N -0.465 119.802 120.400 -0.220 0.000 2.351 430 D HA -0.187 4.608 4.640 0.257 0.000 0.216 430 D C 1.590 177.875 176.300 -0.026 0.000 0.968 430 D CA 1.394 55.352 54.000 -0.071 0.000 0.899 430 D CB -0.540 40.321 40.800 0.102 0.000 0.907 430 D HN 0.640 nan 8.370 nan 0.000 0.514 431 Q N -0.812 118.980 119.800 -0.013 0.000 2.392 431 Q HA 0.106 4.601 4.340 0.257 0.000 0.203 431 Q C 0.290 176.296 176.000 0.009 0.000 0.917 431 Q CA -0.151 55.658 55.803 0.010 0.000 0.939 431 Q CB 0.381 29.129 28.738 0.016 0.000 1.063 431 Q HN 0.333 nan 8.270 nan 0.000 0.516 432 C N 2.488 121.808 119.300 0.034 0.000 2.648 432 C HA 0.107 4.721 4.460 0.257 0.000 0.415 432 C C -1.160 173.814 174.990 -0.027 0.000 1.366 432 C CA -1.537 57.482 59.018 0.002 0.000 1.756 432 C CB 0.445 28.215 27.740 0.050 0.000 2.549 432 C HN 0.302 nan 8.230 nan 0.000 0.597 433 P HA -0.027 nan 4.420 nan 0.000 0.223 433 P C 0.670 177.959 177.300 -0.018 0.000 1.151 433 P CA 1.302 64.386 63.100 -0.027 0.000 0.787 433 P CB -0.126 31.548 31.700 -0.043 0.000 0.788 434 I N -7.157 113.392 120.570 -0.036 0.000 3.927 434 I HA 0.281 4.605 4.170 0.257 0.000 0.332 434 I C 0.123 176.282 176.117 0.070 0.000 1.485 434 I CA -0.518 60.763 61.300 -0.032 0.000 1.131 434 I CB -0.373 37.549 38.000 -0.130 0.000 1.092 434 I HN -0.320 nan 8.210 nan 0.000 0.410 435 M N 2.564 122.193 119.600 0.048 0.000 2.290 435 M HA -0.001 4.634 4.480 0.257 0.000 0.356 435 M C 0.134 176.580 176.300 0.244 0.000 1.448 435 M CA 0.507 55.825 55.300 0.030 0.000 0.993 435 M CB -0.906 31.542 32.600 -0.253 0.000 1.934 435 M HN 0.342 nan 8.290 nan 0.000 0.461 436 D N 6.406 127.002 120.400 0.325 0.000 2.472 436 D HA 0.032 4.827 4.640 0.257 0.000 0.237 436 D C -1.251 175.234 176.300 0.308 0.000 1.141 436 D CA -0.738 53.452 54.000 0.316 0.000 0.875 436 D CB 0.967 41.989 40.800 0.370 0.000 1.192 436 D HN 0.379 nan 8.370 nan 0.000 0.450 437 P HA -0.126 nan 4.420 nan 0.000 0.228 437 P C 0.422 177.806 177.300 0.139 0.000 1.151 437 P CA 0.955 64.146 63.100 0.151 0.000 0.770 437 P CB 0.260 31.991 31.700 0.051 0.000 0.786 438 R N -0.733 119.859 120.500 0.152 0.000 2.432 438 R HA 0.090 4.585 4.340 0.257 0.000 0.260 438 R C 1.960 178.286 176.300 0.044 0.000 0.935 438 R CA -0.193 55.941 56.100 0.057 0.000 1.080 438 R CB -0.401 29.916 30.300 0.027 0.000 1.155 438 R HN 0.395 nan 8.270 nan 0.000 0.531 439 W N 2.189 123.507 121.300 0.029 0.000 2.392 439 W HA -0.111 4.698 4.660 0.249 0.000 0.279 439 W C -0.299 176.214 176.519 -0.010 0.000 1.225 439 W CA 1.218 58.580 57.345 0.028 0.000 1.233 439 W CB -0.113 29.389 29.460 0.070 0.000 1.122 439 W HN -0.019 nan 8.180 nan 0.000 0.561 440 D N -0.128 119.717 120.400 -0.925 0.000 2.593 440 D HA 0.035 4.830 4.640 0.257 0.000 0.241 440 D C -0.507 175.530 176.300 -0.439 0.000 1.257 440 D CA -0.481 52.987 54.000 -0.886 0.000 0.828 440 D CB -0.805 39.197 40.800 -1.330 0.000 1.049 440 D HN -0.214 nan 8.370 nan 0.000 0.490 441 D N 1.968 122.197 120.400 -0.285 0.000 2.383 441 D HA 0.051 4.846 4.640 0.257 0.000 0.252 441 D C -1.018 175.191 176.300 -0.152 0.000 1.166 441 D CA -1.837 52.056 54.000 -0.179 0.000 0.879 441 D CB 1.834 42.557 40.800 -0.128 0.000 1.164 441 D HN -0.058 nan 8.370 nan 0.000 0.462 442 P HA -0.203 nan 4.420 nan 0.000 0.215 442 P C 1.132 178.381 177.300 -0.085 0.000 1.157 442 P CA 1.098 64.139 63.100 -0.099 0.000 0.874 442 P CB 0.309 31.959 31.700 -0.082 0.000 0.790 443 E N 0.188 120.340 120.200 -0.080 0.000 2.204 443 E HA 0.001 4.506 4.350 0.257 0.000 0.195 443 E C 0.851 177.404 176.600 -0.078 0.000 0.990 443 E CA 0.760 57.118 56.400 -0.070 0.000 0.821 443 E CB -0.418 29.246 29.700 -0.060 0.000 0.750 443 E HN 0.221 nan 8.360 nan 0.000 0.477 444 G N -0.029 108.712 108.800 -0.099 0.000 2.795 444 G HA2 -0.225 3.889 3.960 0.257 0.000 0.664 444 G HA3 -0.225 3.889 3.960 0.257 0.000 0.664 444 G C -0.278 174.518 174.900 -0.173 0.000 1.381 444 G CA -0.314 44.719 45.100 -0.113 0.000 0.853 444 G HN 0.644 nan 8.290 nan 0.000 0.545 445 V N -2.044 117.720 119.914 -0.249 0.000 2.581 445 V HA 0.893 5.168 4.120 0.257 0.000 0.303 445 V C -2.128 173.809 176.094 -0.261 0.000 1.041 445 V CA -2.045 59.973 62.300 -0.471 0.000 0.907 445 V CB 2.147 33.302 31.823 -1.113 0.000 0.994 445 V HN 0.894 nan 8.190 nan 0.000 0.442 446 P HA 0.379 nan 4.420 nan 0.000 0.282 446 P C -0.790 176.579 177.300 0.114 0.000 1.262 446 P CA -0.121 62.989 63.100 0.017 0.000 0.773 446 P CB 0.912 32.652 31.700 0.067 0.000 0.879 447 I N 4.182 124.812 120.570 0.100 0.000 2.304 447 I HA 0.147 4.472 4.170 0.257 0.000 0.291 447 I C 1.016 177.227 176.117 0.157 0.000 1.018 447 I CA 0.174 61.561 61.300 0.145 0.000 1.260 447 I CB 0.761 38.832 38.000 0.119 0.000 1.390 447 I HN 0.298 nan 8.210 nan 0.000 0.475 448 D N 4.563 125.058 120.400 0.158 0.000 2.417 448 D HA 0.280 5.074 4.640 0.257 0.000 0.207 448 D C 0.469 176.877 176.300 0.179 0.000 1.075 448 D CA 0.480 54.562 54.000 0.137 0.000 0.851 448 D CB 1.339 42.175 40.800 0.060 0.000 0.976 448 D HN 0.588 nan 8.370 nan 0.000 0.505 449 A N 0.526 123.457 122.820 0.186 0.000 2.488 449 A HA 0.666 5.141 4.320 0.257 0.000 0.298 449 A C -1.128 176.565 177.584 0.181 0.000 1.044 449 A CA -0.526 51.662 52.037 0.252 0.000 0.693 449 A CB 1.401 20.506 19.000 0.175 0.000 1.272 449 A HN 0.007 nan 8.150 nan 0.000 0.402 450 I N 2.377 123.051 120.570 0.173 0.000 2.406 450 I HA 0.442 4.767 4.170 0.257 0.000 0.290 450 I C -0.939 175.045 176.117 -0.221 0.000 0.999 450 I CA -0.430 60.843 61.300 -0.046 0.000 1.124 450 I CB 1.788 39.757 38.000 -0.053 0.000 1.289 450 I HN 0.508 nan 8.210 nan 0.000 0.441 451 I N 6.167 126.545 120.570 -0.321 0.000 2.389 451 I HA 0.369 4.693 4.170 0.257 0.000 0.288 451 I C -0.791 175.080 176.117 -0.409 0.000 0.999 451 I CA -0.439 60.712 61.300 -0.248 0.000 1.129 451 I CB 1.134 39.101 38.000 -0.055 0.000 1.288 451 I HN 0.269 nan 8.210 nan 0.000 0.444 452 F N 3.579 123.476 119.950 -0.089 0.000 2.399 452 F HA 0.847 5.522 4.527 0.248 0.000 0.328 452 F C 0.904 176.476 175.800 -0.381 0.000 1.084 452 F CA -0.702 57.181 58.000 -0.195 0.000 1.053 452 F CB 1.769 40.612 39.000 -0.261 0.000 1.209 452 F HN 0.465 nan 8.300 nan 0.000 0.502 453 G N -0.429 108.317 108.800 -0.089 0.000 2.519 453 G HA2 0.565 4.680 3.960 0.257 0.000 0.292 453 G HA3 0.565 4.680 3.960 0.257 0.000 0.292 453 G C -1.336 173.382 174.900 -0.304 0.000 1.507 453 G CA -0.155 44.628 45.100 -0.528 0.000 0.806 453 G HN 1.001 nan 8.290 nan 0.000 0.523 454 G N -0.750 107.864 108.800 -0.310 0.000 2.682 454 G HA2 0.621 4.736 3.960 0.257 0.000 0.303 454 G HA3 0.621 4.736 3.960 0.257 0.000 0.303 454 G C -1.242 173.584 174.900 -0.124 0.000 1.341 454 G CA -1.032 43.962 45.100 -0.177 0.000 0.784 454 G HN 0.623 nan 8.290 nan 0.000 0.497 455 R N 1.001 121.368 120.500 -0.221 0.000 2.242 455 R HA 0.448 4.943 4.340 0.257 0.000 0.334 455 R C -0.574 175.681 176.300 -0.075 0.000 1.071 455 R CA -0.354 55.600 56.100 -0.243 0.000 0.922 455 R CB 0.664 30.647 30.300 -0.528 0.000 1.023 455 R HN 0.102 nan 8.270 nan 0.000 0.458 456 R N 4.096 124.615 120.500 0.031 0.000 2.435 456 R HA 0.193 4.688 4.340 0.257 0.000 0.308 456 R C -2.011 174.308 176.300 0.032 0.000 0.975 456 R CA -2.278 53.824 56.100 0.002 0.000 0.867 456 R CB 1.662 31.954 30.300 -0.013 0.000 1.171 456 R HN 0.409 nan 8.270 nan 0.000 0.470 457 P HA -0.074 nan 4.420 nan 0.000 0.226 457 P C 0.003 177.277 177.300 -0.043 0.000 1.153 457 P CA 0.770 63.886 63.100 0.028 0.000 0.777 457 P CB 0.947 32.647 31.700 -0.000 0.000 0.794 458 R N -1.957 118.473 120.500 -0.116 0.000 2.668 458 R HA 0.450 4.944 4.340 0.257 0.000 0.272 458 R C 0.490 176.429 176.300 -0.601 0.000 1.019 458 R CA 0.142 56.086 56.100 -0.260 0.000 0.894 458 R CB 1.099 31.287 30.300 -0.187 0.000 1.228 458 R HN 0.088 nan 8.270 nan 0.000 0.460 459 G N 1.136 109.441 108.800 -0.825 0.000 2.347 459 G HA2 -0.273 3.842 3.960 0.257 0.000 0.247 459 G HA3 -0.273 3.842 3.960 0.257 0.000 0.247 459 G C -0.379 173.994 174.900 -0.880 0.000 1.037 459 G CA 0.335 44.490 45.100 -1.574 0.000 0.622 459 G HN 0.465 nan 8.290 nan 0.000 0.521 460 V N 3.532 123.157 119.914 -0.481 0.000 2.364 460 V HA 0.478 4.752 4.120 0.257 0.000 0.272 460 V C -1.527 174.497 176.094 -0.117 0.000 1.036 460 V CA -1.398 60.844 62.300 -0.096 0.000 0.880 460 V CB 1.484 33.297 31.823 -0.017 0.000 0.991 460 V HN 0.168 nan 8.190 nan 0.000 0.460 461 P HA 0.110 nan 4.420 nan 0.000 0.272 461 P C 0.845 177.922 177.300 -0.371 0.000 1.240 461 P CA -0.476 62.465 63.100 -0.266 0.000 0.791 461 P CB 0.695 32.340 31.700 -0.092 0.000 0.978 462 L N 2.408 123.193 121.223 -0.730 0.000 2.043 462 L HA -0.066 4.428 4.340 0.257 0.000 0.212 462 L C 0.492 177.110 176.870 -0.420 0.000 1.075 462 L CA 2.135 56.559 54.840 -0.692 0.000 0.752 462 L CB -0.188 41.234 42.059 -1.062 0.000 0.891 462 L HN 0.212 nan 8.230 nan 0.000 0.432 463 V N -0.643 119.133 119.914 -0.231 0.000 2.852 463 V HA 0.515 4.790 4.120 0.257 0.000 0.300 463 V C -1.431 174.759 176.094 0.161 0.000 1.205 463 V CA -0.660 61.643 62.300 0.006 0.000 0.940 463 V CB 2.144 33.981 31.823 0.024 0.000 1.047 463 V HN -0.225 nan 8.190 nan 0.000 0.429 464 V N 5.386 125.448 119.914 0.246 0.000 2.841 464 V HA 0.586 4.860 4.120 0.257 0.000 0.310 464 V C -0.439 175.882 176.094 0.380 0.000 1.090 464 V CA -0.627 61.826 62.300 0.255 0.000 0.930 464 V CB 2.022 33.917 31.823 0.120 0.000 1.014 464 V HN 0.955 nan 8.190 nan 0.000 0.425 465 E N 2.559 122.990 120.200 0.386 0.000 2.166 465 E HA 0.697 5.201 4.350 0.257 0.000 0.275 465 E C -0.024 176.575 176.600 -0.002 0.000 0.941 465 E CA -0.584 55.889 56.400 0.122 0.000 0.784 465 E CB 1.802 31.622 29.700 0.200 0.000 1.115 465 E HN 0.935 nan 8.360 nan 0.000 0.399 466 A N 3.588 126.320 122.820 -0.147 0.000 2.507 466 A HA 0.030 4.504 4.320 0.257 0.000 0.235 466 A C 0.178 177.877 177.584 0.191 0.000 1.070 466 A CA 0.005 51.996 52.037 -0.077 0.000 0.768 466 A CB 0.016 18.941 19.000 -0.124 0.000 1.011 466 A HN 0.744 nan 8.150 nan 0.000 0.502 467 F N 1.061 121.320 119.950 0.515 0.000 2.407 467 F HA 0.282 4.965 4.527 0.260 0.000 0.299 467 F C 1.626 177.594 175.800 0.279 0.000 1.097 467 F CA 1.059 59.230 58.000 0.286 0.000 1.422 467 F CB -0.492 38.495 39.000 -0.021 0.000 1.067 467 F HN 0.820 nan 8.300 nan 0.000 0.539 468 G N -2.959 106.104 108.800 0.439 0.000 2.430 468 G HA2 0.045 4.160 3.960 0.257 0.000 0.300 468 G HA3 0.045 4.160 3.960 0.257 0.000 0.300 468 G C -0.306 174.813 174.900 0.365 0.000 1.330 468 G CA -0.422 44.896 45.100 0.363 0.000 0.813 468 G HN 0.074 nan 8.290 nan 0.000 0.487 469 W N 0.515 121.937 121.300 0.204 0.000 2.332 469 W HA -0.106 4.708 4.660 0.257 0.000 0.321 469 W C 2.398 179.065 176.519 0.246 0.000 1.219 469 W CA 1.880 59.358 57.345 0.221 0.000 1.277 469 W CB 0.017 29.596 29.460 0.198 0.000 1.161 469 W HN 0.643 nan 8.180 nan 0.000 0.476 470 R N -1.008 119.704 120.500 0.355 0.000 2.103 470 R HA -0.253 4.241 4.340 0.257 0.000 0.242 470 R C 2.507 178.935 176.300 0.214 0.000 1.142 470 R CA 2.034 58.279 56.100 0.243 0.000 0.960 470 R CB -1.287 29.148 30.300 0.226 0.000 0.858 470 R HN 0.402 nan 8.270 nan 0.000 0.439 471 H N -0.531 118.620 119.070 0.135 0.000 2.352 471 H HA -0.104 4.608 4.556 0.260 0.000 0.299 471 H C 1.983 177.392 175.328 0.135 0.000 1.097 471 H CA 1.387 57.523 56.048 0.147 0.000 1.311 471 H CB 0.014 29.870 29.762 0.157 0.000 1.377 471 H HN 0.339 nan 8.280 nan 0.000 0.504 472 G N 0.101 108.868 108.800 -0.055 0.000 2.408 472 G HA2 -0.184 3.930 3.960 0.257 0.000 0.217 472 G HA3 -0.184 3.930 3.960 0.257 0.000 0.217 472 G C 1.861 176.633 174.900 -0.215 0.000 1.150 472 G CA 0.797 45.799 45.100 -0.164 0.000 0.776 472 G HN 0.328 nan 8.290 nan 0.000 0.542 473 V N 0.604 120.401 119.914 -0.195 0.000 2.407 473 V HA -0.157 4.117 4.120 0.257 0.000 0.248 473 V C 2.318 178.384 176.094 -0.046 0.000 1.055 473 V CA 1.871 64.126 62.300 -0.075 0.000 1.049 473 V CB -0.622 31.233 31.823 0.053 0.000 0.662 473 V HN 0.428 nan 8.190 nan 0.000 0.455 474 F N 0.593 120.473 119.950 -0.116 0.000 2.095 474 F HA -0.240 4.444 4.527 0.262 0.000 0.298 474 F C 2.333 178.030 175.800 -0.172 0.000 1.104 474 F CA 2.044 59.995 58.000 -0.082 0.000 1.232 474 F CB -0.322 38.684 39.000 0.011 0.000 0.987 474 F HN 0.058 nan 8.300 nan 0.000 0.475 475 M N 0.450 119.759 119.600 -0.484 0.000 2.082 475 M HA -0.165 4.469 4.480 0.257 0.000 0.258 475 M C 2.549 178.362 176.300 -0.812 0.000 1.069 475 M CA 1.897 56.816 55.300 -0.634 0.000 1.102 475 M CB -1.591 30.770 32.600 -0.398 0.000 1.336 475 M HN 0.378 nan 8.290 nan 0.000 0.404 476 G N 0.495 108.476 108.800 -1.365 0.000 2.476 476 G HA2 -0.297 3.818 3.960 0.257 0.000 0.218 476 G HA3 -0.297 3.818 3.960 0.257 0.000 0.218 476 G C 1.643 175.986 174.900 -0.928 0.000 1.164 476 G CA 1.611 45.365 45.100 -2.244 0.000 0.768 476 G HN 0.584 nan 8.290 nan 0.000 0.560 477 S N 0.725 116.204 115.700 -0.368 0.000 2.419 477 S HA 0.238 4.863 4.470 0.257 0.000 0.233 477 S C 2.281 176.891 174.600 0.017 0.000 1.016 477 S CA 1.400 59.636 58.200 0.059 0.000 0.974 477 S CB -0.226 63.027 63.200 0.088 0.000 0.786 477 S HN 0.676 nan 8.310 nan 0.000 0.492 478 A N 0.646 123.293 122.820 -0.288 0.000 2.275 478 A HA 0.512 4.987 4.320 0.257 0.000 0.212 478 A C 0.860 178.292 177.584 -0.253 0.000 1.201 478 A CA -0.427 51.426 52.037 -0.307 0.000 0.843 478 A CB -0.571 18.033 19.000 -0.660 0.000 0.873 478 A HN 0.575 nan 8.150 nan 0.000 0.492 479 M N 0.918 120.388 119.600 -0.216 0.000 2.251 479 M HA 0.107 4.741 4.480 0.257 0.000 0.343 479 M C 0.149 176.342 176.300 -0.177 0.000 1.245 479 M CA 1.044 56.267 55.300 -0.128 0.000 1.061 479 M CB 0.241 32.790 32.600 -0.086 0.000 1.723 479 M HN 0.294 nan 8.290 nan 0.000 0.449 480 R N 1.181 121.563 120.500 -0.197 0.000 2.744 480 R HA 0.713 5.207 4.340 0.257 0.000 0.279 480 R C -1.256 174.938 176.300 -0.177 0.000 0.977 480 R CA -0.792 55.129 56.100 -0.298 0.000 0.906 480 R CB 2.421 32.430 30.300 -0.486 0.000 1.197 480 R HN 0.641 nan 8.270 nan 0.000 0.463 481 S N 0.811 116.405 115.700 -0.177 0.000 2.533 481 S HA 0.120 4.744 4.470 0.257 0.000 0.271 481 S C -1.432 173.082 174.600 -0.143 0.000 1.143 481 S CA -0.931 57.186 58.200 -0.139 0.000 0.891 481 S CB 1.194 64.330 63.200 -0.106 0.000 1.105 481 S HN 0.606 nan 8.310 nan 0.000 0.468 482 E N 3.028 123.143 120.200 -0.141 0.000 2.414 482 E HA 0.477 4.981 4.350 0.257 0.000 0.263 482 E C 0.369 176.906 176.600 -0.105 0.000 1.000 482 E CA -0.484 55.844 56.400 -0.121 0.000 0.914 482 E CB 0.668 30.302 29.700 -0.109 0.000 0.948 482 E HN 0.627 nan 8.360 nan 0.000 0.444 483 A N 3.585 126.360 122.820 -0.075 0.000 2.520 483 A HA 0.227 4.701 4.320 0.257 0.000 0.235 483 A C 0.589 178.156 177.584 -0.029 0.000 1.065 483 A CA 0.395 52.414 52.037 -0.030 0.000 0.764 483 A CB 0.164 19.174 19.000 0.016 0.000 1.002 483 A HN 0.824 nan 8.150 nan 0.000 0.502 484 T N -1.904 112.648 114.554 -0.005 0.000 2.804 484 T HA 0.648 5.152 4.350 0.257 0.000 0.272 484 T C 0.790 175.484 174.700 -0.010 0.000 0.986 484 T CA -0.013 62.073 62.100 -0.023 0.000 0.999 484 T CB 1.286 70.137 68.868 -0.028 0.000 1.307 484 T HN 1.299 nan 8.240 nan 0.000 0.586 485 A N -0.544 122.255 122.820 -0.035 0.000 2.278 485 A HA 0.596 5.071 4.320 0.257 0.000 0.212 485 A C 2.117 179.689 177.584 -0.019 0.000 1.213 485 A CA 0.587 52.596 52.037 -0.047 0.000 0.840 485 A CB -1.257 17.675 19.000 -0.114 0.000 0.866 485 A HN 1.091 nan 8.150 nan 0.000 0.489 486 A N -0.875 121.957 122.820 0.021 0.000 2.119 486 A HA 0.543 5.017 4.320 0.257 0.000 0.216 486 A C 1.339 178.954 177.584 0.052 0.000 1.152 486 A CA 1.345 53.427 52.037 0.074 0.000 0.708 486 A CB -0.275 18.812 19.000 0.145 0.000 0.805 486 A HN 1.007 nan 8.150 nan 0.000 0.460 487 A N -0.718 122.103 122.820 0.003 0.000 2.973 487 A HA 0.577 5.052 4.320 0.257 0.000 0.267 487 A C 0.748 178.238 177.584 -0.156 0.000 1.210 487 A CA 0.323 52.316 52.037 -0.074 0.000 0.749 487 A CB 0.070 19.033 19.000 -0.061 0.000 1.373 487 A HN 0.135 nan 8.150 nan 0.000 0.585 488 E N 0.692 120.706 120.200 -0.310 0.000 2.489 488 E HA -0.027 4.477 4.350 0.257 0.000 0.193 488 E C -0.638 175.807 176.600 -0.257 0.000 1.057 488 E CA 0.108 56.345 56.400 -0.273 0.000 0.866 488 E CB -0.364 29.186 29.700 -0.249 0.000 0.916 488 E HN 0.584 nan 8.360 nan 0.000 0.500 489 H N 2.190 121.252 119.070 -0.014 0.000 2.819 489 H HA 0.222 4.930 4.556 0.252 0.000 0.303 489 H C 0.188 175.504 175.328 -0.020 0.000 1.058 489 H CA -0.007 56.032 56.048 -0.015 0.000 1.471 489 H CB 0.689 30.440 29.762 -0.019 0.000 1.480 489 H HN -0.093 nan 8.280 nan 0.000 0.517 490 K N 2.366 122.815 120.400 0.083 0.000 2.249 490 K HA 0.197 4.672 4.320 0.257 0.000 0.280 490 K C 0.920 177.536 176.600 0.026 0.000 1.033 490 K CA -0.502 55.805 56.287 0.034 0.000 0.946 490 K CB 1.574 34.088 32.500 0.023 0.000 1.005 490 K HN 0.750 nan 8.250 nan 0.000 0.469 491 G N 0.255 109.057 108.800 0.004 0.000 2.614 491 G HA2 0.278 4.393 3.960 0.257 0.000 0.239 491 G HA3 0.278 4.393 3.960 0.257 0.000 0.239 491 G C 0.263 175.155 174.900 -0.014 0.000 1.240 491 G CA -0.413 44.681 45.100 -0.010 0.000 0.842 491 G HN 0.581 nan 8.290 nan 0.000 0.584 492 G N 0.903 109.689 108.800 -0.025 0.000 4.956 492 G HA2 0.419 4.534 3.960 0.257 0.000 0.290 492 G HA3 0.419 4.534 3.960 0.257 0.000 0.290 492 G C 0.432 175.304 174.900 -0.047 0.000 1.352 492 G CA -0.720 44.358 45.100 -0.036 0.000 0.983 492 G HN 0.882 nan 8.290 nan 0.000 0.581 493 R N 0.212 120.688 120.500 -0.041 0.000 2.623 493 R HA 0.268 4.762 4.340 0.257 0.000 0.271 493 R C -0.599 175.649 176.300 -0.087 0.000 1.043 493 R CA -0.671 55.395 56.100 -0.056 0.000 1.083 493 R CB 0.861 31.135 30.300 -0.044 0.000 0.974 493 R HN 0.096 nan 8.270 nan 0.000 0.436 494 L N 3.948 125.109 121.223 -0.104 0.000 2.477 494 L HA 0.148 4.643 4.340 0.257 0.000 0.272 494 L C -0.217 176.546 176.870 -0.179 0.000 1.157 494 L CA 1.089 55.840 54.840 -0.148 0.000 0.889 494 L CB 0.384 42.346 42.059 -0.161 0.000 1.158 494 L HN 0.713 nan 8.230 nan 0.000 0.473 495 M N 4.025 123.504 119.600 -0.202 0.000 2.464 495 M HA 0.366 5.001 4.480 0.257 0.000 0.308 495 M C -0.559 175.582 176.300 -0.265 0.000 1.127 495 M CA -0.777 54.403 55.300 -0.199 0.000 0.913 495 M CB 1.843 34.331 32.600 -0.187 0.000 1.689 495 M HN 0.407 nan 8.290 nan 0.000 0.445 496 H N 1.590 120.499 119.070 -0.269 0.000 2.848 496 H HA 0.070 4.779 4.556 0.255 0.000 0.341 496 H C -0.846 174.389 175.328 -0.155 0.000 1.060 496 H CA 0.886 56.716 56.048 -0.363 0.000 1.444 496 H CB 0.739 29.984 29.762 -0.862 0.000 1.446 496 H HN 0.480 nan 8.280 nan 0.000 0.583 497 D N 4.278 124.679 120.400 0.001 0.000 2.714 497 D HA 0.146 4.940 4.640 0.257 0.000 0.264 497 D C -2.705 173.669 176.300 0.124 0.000 1.231 497 D CA -1.565 52.475 54.000 0.067 0.000 0.802 497 D CB 0.933 41.749 40.800 0.026 0.000 1.319 497 D HN 0.276 nan 8.370 nan 0.000 0.528 498 P HA 0.032 nan 4.420 nan 0.000 0.263 498 P C 0.270 177.812 177.300 0.403 0.000 1.195 498 P CA -0.064 63.240 63.100 0.340 0.000 0.762 498 P CB 0.078 32.136 31.700 0.597 0.000 0.799 499 F N 1.704 121.640 119.950 -0.024 0.000 3.048 499 F HA -0.298 4.376 4.527 0.245 0.000 0.287 499 F C 1.465 177.356 175.800 0.151 0.000 0.796 499 F CA 1.151 59.180 58.000 0.048 0.000 1.111 499 F CB -2.622 36.470 39.000 0.152 0.000 1.320 499 F HN 0.599 nan 8.300 nan 0.000 0.430 500 A N -1.688 121.276 122.820 0.240 0.000 2.816 500 A HA -0.303 4.171 4.320 0.257 0.000 0.270 500 A C 1.407 179.194 177.584 0.339 0.000 1.413 500 A CA 1.659 53.868 52.037 0.287 0.000 0.866 500 A CB -1.431 17.747 19.000 0.296 0.000 1.032 500 A HN 0.410 nan 8.150 nan 0.000 0.642 501 M N -1.322 118.311 119.600 0.055 0.000 2.333 501 M HA 0.127 4.761 4.480 0.257 0.000 0.257 501 M C 1.724 177.546 176.300 -0.796 0.000 1.078 501 M CA 0.539 55.620 55.300 -0.365 0.000 1.005 501 M CB -0.444 31.642 32.600 -0.856 0.000 1.444 501 M HN 0.651 nan 8.290 nan 0.000 0.496 502 R N 1.892 122.192 120.500 -0.334 0.000 2.096 502 R HA -0.156 4.338 4.340 0.257 0.000 0.240 502 R C -1.103 175.027 176.300 -0.283 0.000 1.139 502 R CA 1.854 57.867 56.100 -0.146 0.000 0.952 502 R CB -1.151 29.159 30.300 0.016 0.000 0.854 502 R HN 0.176 nan 8.270 nan 0.000 0.436 503 P HA 0.015 nan 4.420 nan 0.000 0.241 503 P C -0.025 176.777 177.300 -0.829 0.000 1.191 503 P CA 0.887 63.510 63.100 -0.794 0.000 0.771 503 P CB 0.091 31.034 31.700 -1.262 0.000 0.929 504 F N -3.183 116.608 119.950 -0.266 0.000 2.729 504 F HA 0.316 5.121 4.527 0.462 0.000 0.315 504 F C 0.572 176.206 175.800 -0.278 0.000 1.102 504 F CA -1.136 56.703 58.000 -0.268 0.000 1.204 504 F CB -0.683 38.146 39.000 -0.286 0.000 1.052 504 F HN -0.305 nan 8.300 nan 0.000 0.551 505 F N 0.834 120.749 119.950 -0.058 0.000 2.578 505 F HA 0.352 5.051 4.527 0.286 0.000 0.376 505 F C 1.613 177.368 175.800 -0.075 0.000 1.085 505 F CA -0.013 57.895 58.000 -0.154 0.000 1.260 505 F CB 0.476 39.315 39.000 -0.269 0.000 1.095 505 F HN 0.094 nan 8.300 nan 0.000 0.573 506 G N 2.487 111.415 108.800 0.214 0.000 3.126 506 G HA2 0.231 4.346 3.960 0.257 0.000 0.224 506 G HA3 0.231 4.346 3.960 0.257 0.000 0.224 506 G C -0.682 174.410 174.900 0.321 0.000 1.142 506 G CA 0.205 45.435 45.100 0.217 0.000 0.759 506 G HN 0.640 nan 8.290 nan 0.000 0.550 507 Y N -2.619 117.740 120.300 0.098 0.000 2.750 507 Y HA 0.494 5.197 4.550 0.254 0.000 0.335 507 Y C -0.679 175.213 175.900 -0.012 0.000 1.252 507 Y CA -2.392 55.733 58.100 0.043 0.000 1.064 507 Y CB 0.143 38.617 38.460 0.025 0.000 1.321 507 Y HN -0.148 nan 8.280 nan 0.000 0.451 508 N N 1.105 119.788 118.700 -0.028 0.000 2.256 508 N HA -0.068 4.826 4.740 0.257 0.000 0.277 508 N C 1.037 176.300 175.510 -0.412 0.000 1.362 508 N CA 1.040 53.981 53.050 -0.181 0.000 0.861 508 N CB 1.336 39.803 38.487 -0.032 0.000 1.136 508 N HN 0.985 nan 8.380 nan 0.000 0.492 509 A N 4.141 126.576 122.820 -0.642 0.000 1.972 509 A HA -0.081 4.394 4.320 0.257 0.000 0.219 509 A C 2.043 179.545 177.584 -0.135 0.000 1.169 509 A CA 1.745 53.248 52.037 -0.890 0.000 0.635 509 A CB -0.780 17.358 19.000 -1.436 0.000 0.810 509 A HN 0.748 nan 8.150 nan 0.000 0.446 510 G N -0.345 108.476 108.800 0.035 0.000 2.418 510 G HA2 -0.229 3.885 3.960 0.257 0.000 0.217 510 G HA3 -0.229 3.885 3.960 0.257 0.000 0.217 510 G C 1.749 176.736 174.900 0.145 0.000 1.158 510 G CA 0.851 46.089 45.100 0.231 0.000 0.771 510 G HN 0.590 nan 8.290 nan 0.000 0.545 511 R N -1.025 119.545 120.500 0.116 0.000 2.115 511 R HA -0.052 4.442 4.340 0.257 0.000 0.230 511 R C 2.286 178.788 176.300 0.336 0.000 1.111 511 R CA 1.141 57.369 56.100 0.214 0.000 0.976 511 R CB -0.510 29.953 30.300 0.273 0.000 0.870 511 R HN 0.539 nan 8.270 nan 0.000 0.445 512 Y N 1.645 121.975 120.300 0.051 0.000 2.181 512 Y HA -0.177 4.526 4.550 0.255 0.000 0.288 512 Y C 1.868 177.916 175.900 0.247 0.000 1.146 512 Y CA 1.413 59.592 58.100 0.132 0.000 1.164 512 Y CB -0.211 38.133 38.460 -0.195 0.000 0.982 512 Y HN -0.072 nan 8.280 nan 0.000 0.515 513 L N -0.022 121.359 121.223 0.263 0.000 2.046 513 L HA -0.191 4.303 4.340 0.257 0.000 0.208 513 L C 2.481 179.449 176.870 0.162 0.000 1.077 513 L CA 1.757 56.681 54.840 0.140 0.000 0.747 513 L CB -0.589 41.530 42.059 0.099 0.000 0.896 513 L HN 0.197 nan 8.230 nan 0.000 0.432 514 E N -0.249 120.052 120.200 0.168 0.000 2.085 514 E HA -0.286 4.218 4.350 0.257 0.000 0.194 514 E C 2.079 178.797 176.600 0.197 0.000 0.994 514 E CA 1.439 57.937 56.400 0.164 0.000 0.801 514 E CB -0.108 29.678 29.700 0.142 0.000 0.743 514 E HN 0.420 nan 8.360 nan 0.000 0.453 515 H N -1.511 117.619 119.070 0.099 0.000 2.353 515 H HA -0.122 4.587 4.556 0.254 0.000 0.300 515 H C 1.522 176.850 175.328 0.001 0.000 1.090 515 H CA 2.106 58.169 56.048 0.027 0.000 1.327 515 H CB -0.459 29.307 29.762 0.007 0.000 1.383 515 H HN 0.237 nan 8.280 nan 0.000 0.508 516 W N 0.493 121.706 121.300 -0.144 0.000 2.358 516 W HA -0.113 4.695 4.660 0.247 0.000 0.303 516 W C 2.447 179.143 176.519 0.295 0.000 1.208 516 W CA 1.353 58.678 57.345 -0.033 0.000 1.274 516 W CB -0.449 28.900 29.460 -0.186 0.000 1.138 516 W HN 0.188 nan 8.180 nan 0.000 0.515 517 L N -0.639 120.846 121.223 0.436 0.000 2.012 517 L HA -0.294 4.201 4.340 0.257 0.000 0.210 517 L C 2.440 179.490 176.870 0.300 0.000 1.073 517 L CA 1.641 56.736 54.840 0.426 0.000 0.748 517 L CB -1.209 41.006 42.059 0.261 0.000 0.891 517 L HN -0.164 nan 8.230 nan 0.000 0.431 518 S N -1.019 114.771 115.700 0.151 0.000 2.399 518 S HA -0.167 4.457 4.470 0.257 0.000 0.231 518 S C 1.967 176.546 174.600 -0.036 0.000 1.022 518 S CA 1.659 59.888 58.200 0.049 0.000 0.983 518 S CB -0.335 62.893 63.200 0.047 0.000 0.803 518 S HN 0.451 nan 8.310 nan 0.000 0.480 519 T N 1.533 116.045 114.554 -0.069 0.000 2.759 519 T HA -0.074 4.430 4.350 0.257 0.000 0.269 519 T C 1.948 176.491 174.700 -0.261 0.000 1.042 519 T CA 1.365 63.387 62.100 -0.131 0.000 1.140 519 T CB -0.631 68.102 68.868 -0.225 0.000 0.864 519 T HN 0.564 nan 8.240 nan 0.000 0.455 520 G N 0.550 109.105 108.800 -0.409 0.000 2.679 520 G HA2 0.064 4.178 3.960 0.257 0.000 0.212 520 G HA3 0.064 4.178 3.960 0.257 0.000 0.212 520 G C 1.162 175.746 174.900 -0.526 0.000 1.137 520 G CA 0.106 44.530 45.100 -1.125 0.000 0.787 520 G HN 0.467 nan 8.290 nan 0.000 0.534 521 L N -0.380 120.678 121.223 -0.274 0.000 2.640 521 L HA 0.306 4.801 4.340 0.257 0.000 0.230 521 L C 1.330 178.080 176.870 -0.201 0.000 1.123 521 L CA -0.612 54.121 54.840 -0.177 0.000 0.900 521 L CB 0.029 42.044 42.059 -0.073 0.000 1.146 521 L HN 0.039 nan 8.230 nan 0.000 0.484 522 R N 0.968 121.298 120.500 -0.283 0.000 2.585 522 R HA 0.011 4.505 4.340 0.257 0.000 0.275 522 R C 0.118 176.237 176.300 -0.303 0.000 1.018 522 R CA 0.231 56.151 56.100 -0.300 0.000 1.072 522 R CB 0.479 30.504 30.300 -0.459 0.000 0.953 522 R HN -0.008 nan 8.270 nan 0.000 0.419 523 S N 3.964 119.536 115.700 -0.215 0.000 2.516 523 S HA 0.053 4.677 4.470 0.257 0.000 0.282 523 S C 0.178 174.653 174.600 -0.207 0.000 1.286 523 S CA 0.242 58.337 58.200 -0.175 0.000 1.066 523 S CB 0.070 63.202 63.200 -0.114 0.000 0.884 523 S HN 0.936 nan 8.310 nan 0.000 0.491 524 N N -0.255 118.334 118.700 -0.186 0.000 2.828 524 N HA -0.206 4.688 4.740 0.257 0.000 0.248 524 N C -0.019 175.348 175.510 -0.237 0.000 1.044 524 N CA 0.264 53.214 53.050 -0.167 0.000 0.851 524 N CB -0.900 37.517 38.487 -0.116 0.000 1.136 524 N HN 0.752 nan 8.380 nan 0.000 0.572 525 A N 1.112 123.695 122.820 -0.395 0.000 2.488 525 A HA 0.193 4.668 4.320 0.257 0.000 0.249 525 A C 0.674 178.077 177.584 -0.302 0.000 1.083 525 A CA 0.348 52.016 52.037 -0.615 0.000 0.768 525 A CB 0.362 18.692 19.000 -1.117 0.000 1.017 525 A HN 0.184 nan 8.150 nan 0.000 0.496 526 R N 3.322 123.749 120.500 -0.123 0.000 2.593 526 R HA 0.209 4.704 4.340 0.257 0.000 0.282 526 R C -0.812 175.569 176.300 0.134 0.000 1.300 526 R CA -0.081 56.031 56.100 0.020 0.000 1.221 526 R CB -0.063 30.278 30.300 0.067 0.000 1.157 526 R HN 0.674 nan 8.270 nan 0.000 0.555 527 L N 4.749 126.005 121.223 0.055 0.000 2.453 527 L HA 0.171 4.666 4.340 0.257 0.000 0.272 527 L C -1.445 175.581 176.870 0.259 0.000 1.182 527 L CA -1.533 53.389 54.840 0.137 0.000 0.858 527 L CB 0.099 42.117 42.059 -0.068 0.000 1.120 527 L HN 0.157 nan 8.230 nan 0.000 0.474 528 P HA 0.188 nan 4.420 nan 0.000 0.274 528 P C -0.827 176.704 177.300 0.385 0.000 1.231 528 P CA -0.497 62.811 63.100 0.348 0.000 0.790 528 P CB 0.674 32.587 31.700 0.355 0.000 0.951 529 R N 0.987 121.658 120.500 0.284 0.000 2.539 529 R HA 0.404 4.898 4.340 0.257 0.000 0.275 529 R C -0.019 176.327 176.300 0.077 0.000 1.077 529 R CA -0.501 55.689 56.100 0.150 0.000 1.097 529 R CB 0.191 30.532 30.300 0.068 0.000 1.018 529 R HN 0.464 nan 8.270 nan 0.000 0.483 530 L N 3.543 124.668 121.223 -0.163 0.000 2.317 530 L HA 0.533 5.027 4.340 0.257 0.000 0.281 530 L C -0.662 175.970 176.870 -0.397 0.000 1.024 530 L CA -0.471 54.276 54.840 -0.156 0.000 0.810 530 L CB 0.766 42.781 42.059 -0.073 0.000 1.240 530 L HN 0.455 nan 8.230 nan 0.000 0.427 531 F N 0.545 120.493 119.950 -0.002 0.000 2.620 531 F HA 0.516 5.195 4.527 0.255 0.000 0.320 531 F C -0.048 175.817 175.800 0.110 0.000 1.069 531 F CA -0.740 57.310 58.000 0.083 0.000 0.953 531 F CB 1.795 40.851 39.000 0.093 0.000 1.322 531 F HN 0.389 nan 8.300 nan 0.000 0.479 532 H N 1.488 120.699 119.070 0.236 0.000 2.689 532 H HA 0.663 5.376 4.556 0.262 0.000 0.346 532 H C -1.647 173.680 175.328 -0.002 0.000 1.037 532 H CA -0.577 55.541 56.048 0.116 0.000 1.234 532 H CB 1.773 31.569 29.762 0.056 0.000 1.572 532 H HN 0.567 nan 8.280 nan 0.000 0.524 533 V N 2.929 122.611 119.914 -0.386 0.000 3.019 533 V HA 0.587 4.862 4.120 0.257 0.000 0.317 533 V C -0.450 175.239 176.094 -0.675 0.000 1.094 533 V CA -0.979 61.001 62.300 -0.533 0.000 1.000 533 V CB 2.064 33.322 31.823 -0.941 0.000 1.060 533 V HN 0.759 nan 8.190 nan 0.000 0.443 534 N N 1.045 119.353 118.700 -0.654 0.000 2.558 534 N HA 0.402 5.296 4.740 0.257 0.000 0.285 534 N C -0.458 174.768 175.510 -0.473 0.000 1.112 534 N CA -0.673 52.076 53.050 -0.501 0.000 0.857 534 N CB 1.118 39.481 38.487 -0.207 0.000 1.376 534 N HN 0.910 nan 8.380 nan 0.000 0.526 535 W N 2.003 122.919 121.300 -0.640 0.000 3.047 535 W HA 0.199 5.008 4.660 0.248 0.000 0.250 535 W C 0.111 176.094 176.519 -0.893 0.000 1.314 535 W CA -0.348 56.450 57.345 -0.911 0.000 1.540 535 W CB 0.176 28.770 29.460 -1.444 0.000 1.127 535 W HN 0.428 nan 8.180 nan 0.000 0.679 536 F N 0.167 120.099 119.950 -0.030 0.000 2.698 536 F HA 0.304 4.982 4.527 0.252 0.000 0.304 536 F C 0.720 176.644 175.800 0.207 0.000 1.108 536 F CA -0.667 57.356 58.000 0.037 0.000 1.263 536 F CB -0.620 38.384 39.000 0.007 0.000 1.013 536 F HN -0.360 nan 8.300 nan 0.000 0.532 537 L N 2.468 123.808 121.223 0.195 0.000 2.525 537 L HA 0.094 4.589 4.340 0.257 0.000 0.278 537 L C 0.553 177.544 176.870 0.201 0.000 1.218 537 L CA 0.183 55.089 54.840 0.110 0.000 0.878 537 L CB 0.265 42.306 42.059 -0.029 0.000 1.127 537 L HN 0.081 nan 8.230 nan 0.000 0.492 538 R N 2.019 122.573 120.500 0.089 0.000 2.540 538 R HA 0.293 4.788 4.340 0.257 0.000 0.287 538 R C -0.553 175.739 176.300 -0.013 0.000 0.980 538 R CA -0.772 55.340 56.100 0.020 0.000 0.966 538 R CB 1.620 31.886 30.300 -0.056 0.000 1.106 538 R HN 0.623 nan 8.270 nan 0.000 0.480 539 D N 0.089 120.477 120.400 -0.019 0.000 2.496 539 D HA 0.042 4.837 4.640 0.257 0.000 0.283 539 D C -0.312 175.967 176.300 -0.034 0.000 1.214 539 D CA -0.552 53.436 54.000 -0.021 0.000 1.089 539 D CB 0.096 40.894 40.800 -0.004 0.000 1.141 539 D HN 0.305 nan 8.370 nan 0.000 0.580 540 N N -0.248 118.436 118.700 -0.026 0.000 2.994 540 N HA 0.189 5.083 4.740 0.257 0.000 0.306 540 N C -0.191 175.302 175.510 -0.027 0.000 1.348 540 N CA -0.256 52.778 53.050 -0.026 0.000 1.109 540 N CB 0.790 39.266 38.487 -0.018 0.000 1.415 540 N HN 0.262 nan 8.380 nan 0.000 0.529 541 E N -0.334 119.844 120.200 -0.037 0.000 2.905 541 E HA 0.205 4.709 4.350 0.257 0.000 0.197 541 E C 0.623 177.194 176.600 -0.049 0.000 1.016 541 E CA 0.367 56.743 56.400 -0.039 0.000 1.307 541 E CB 0.038 29.713 29.700 -0.041 0.000 1.255 541 E HN 0.227 nan 8.360 nan 0.000 0.527 542 G N 2.619 111.377 108.800 -0.069 0.000 2.605 542 G HA2 0.506 4.621 3.960 0.257 0.000 0.304 542 G HA3 0.506 4.621 3.960 0.257 0.000 0.304 542 G C -0.102 174.707 174.900 -0.152 0.000 1.333 542 G CA -0.552 44.494 45.100 -0.090 0.000 0.973 542 G HN -0.018 nan 8.290 nan 0.000 0.507 543 R N 0.837 121.251 120.500 -0.143 0.000 2.730 543 R HA 0.723 5.217 4.340 0.257 0.000 0.228 543 R C -0.926 175.266 176.300 -0.180 0.000 1.312 543 R CA -0.870 55.090 56.100 -0.234 0.000 1.093 543 R CB 0.692 30.922 30.300 -0.116 0.000 1.583 543 R HN 0.196 nan 8.270 nan 0.000 0.535 544 F N 0.452 120.425 119.950 0.039 0.000 2.438 544 F HA 0.150 4.833 4.527 0.260 0.000 0.356 544 F C 1.370 177.187 175.800 0.028 0.000 1.099 544 F CA -0.704 57.324 58.000 0.047 0.000 1.185 544 F CB 1.337 40.374 39.000 0.062 0.000 1.115 544 F HN 0.250 nan 8.300 nan 0.000 0.526 545 V N 3.149 123.206 119.914 0.238 0.000 2.427 545 V HA -0.225 4.049 4.120 0.257 0.000 0.248 545 V C 0.567 176.776 176.094 0.191 0.000 1.051 545 V CA 1.034 63.423 62.300 0.148 0.000 1.048 545 V CB -0.387 31.487 31.823 0.085 0.000 0.666 545 V HN 0.698 nan 8.190 nan 0.000 0.456 546 W N 2.419 123.697 121.300 -0.037 0.000 2.429 546 W HA 0.323 5.134 4.660 0.253 0.000 0.314 546 W C -1.921 174.515 176.519 -0.139 0.000 1.062 546 W CA -2.141 55.129 57.345 -0.124 0.000 1.211 546 W CB 2.155 31.511 29.460 -0.173 0.000 1.305 546 W HN 0.125 nan 8.180 nan 0.000 0.476 547 P HA -0.019 nan 4.420 nan 0.000 0.221 547 P C 1.003 178.005 177.300 -0.497 0.000 1.150 547 P CA 1.753 64.562 63.100 -0.485 0.000 0.800 547 P CB 0.456 31.835 31.700 -0.535 0.000 0.787 548 G N -0.445 107.758 108.800 -0.995 0.000 2.601 548 G HA2 -0.276 3.839 3.960 0.257 0.000 0.252 548 G HA3 -0.276 3.839 3.960 0.257 0.000 0.252 548 G C 0.095 174.684 174.900 -0.517 0.000 1.294 548 G CA -0.085 44.526 45.100 -0.814 0.000 0.912 548 G HN 0.164 nan 8.290 nan 0.000 0.574 549 F N -1.889 117.782 119.950 -0.466 0.000 2.512 549 F HA -0.296 4.384 4.527 0.255 0.000 0.290 549 F C 2.747 178.339 175.800 -0.346 0.000 1.459 549 F CA 2.885 60.683 58.000 -0.337 0.000 1.366 549 F CB -1.735 37.123 39.000 -0.238 0.000 3.242 549 F HN 1.664 nan 8.300 nan 0.000 0.190 550 G N -0.998 107.739 108.800 -0.105 0.000 2.450 550 G HA2 -0.249 3.865 3.960 0.257 0.000 0.220 550 G HA3 -0.249 3.865 3.960 0.257 0.000 0.220 550 G C 1.113 175.817 174.900 -0.326 0.000 1.130 550 G CA 1.365 46.318 45.100 -0.246 0.000 0.760 550 G HN 0.724 nan 8.290 nan 0.000 0.557 551 H N 0.661 119.576 119.070 -0.257 0.000 2.521 551 H HA -0.002 4.708 4.556 0.257 0.000 0.286 551 H C 2.148 177.389 175.328 -0.145 0.000 1.034 551 H CA 0.971 56.830 56.048 -0.316 0.000 1.278 551 H CB 0.010 29.376 29.762 -0.660 0.000 1.386 551 H HN 0.263 nan 8.280 nan 0.000 0.567 552 N N 1.148 119.745 118.700 -0.172 0.000 2.430 552 N HA -0.096 4.798 4.740 0.257 0.000 0.186 552 N C 1.947 177.384 175.510 -0.121 0.000 1.032 552 N CA 0.830 53.713 53.050 -0.279 0.000 0.893 552 N CB -0.179 37.796 38.487 -0.852 0.000 0.957 552 N HN 0.343 nan 8.380 nan 0.000 0.442 553 A N 1.182 123.932 122.820 -0.117 0.000 2.019 553 A HA -0.121 4.354 4.320 0.257 0.000 0.219 553 A C 2.222 179.681 177.584 -0.208 0.000 1.164 553 A CA 1.001 52.947 52.037 -0.152 0.000 0.644 553 A CB -0.313 18.597 19.000 -0.149 0.000 0.805 553 A HN 0.254 nan 8.150 nan 0.000 0.449 554 R N -0.899 119.574 120.500 -0.044 0.000 2.092 554 R HA -0.048 4.446 4.340 0.257 0.000 0.231 554 R C 1.906 178.218 176.300 0.020 0.000 1.119 554 R CA 1.376 57.478 56.100 0.004 0.000 0.970 554 R CB -0.410 30.035 30.300 0.241 0.000 0.864 554 R HN 0.392 nan 8.270 nan 0.000 0.440 555 V N 1.185 121.143 119.914 0.072 0.000 2.407 555 V HA -0.150 4.124 4.120 0.257 0.000 0.245 555 V C 2.214 178.368 176.094 0.100 0.000 1.041 555 V CA 1.397 63.763 62.300 0.110 0.000 1.040 555 V CB -0.338 31.586 31.823 0.169 0.000 0.671 555 V HN 0.269 nan 8.190 nan 0.000 0.455 556 L N 0.231 121.458 121.223 0.007 0.000 2.083 556 L HA -0.166 4.328 4.340 0.257 0.000 0.209 556 L C 2.775 179.544 176.870 -0.169 0.000 1.083 556 L CA 1.501 56.313 54.840 -0.045 0.000 0.752 556 L CB -0.904 41.138 42.059 -0.029 0.000 0.899 556 L HN 0.381 nan 8.230 nan 0.000 0.433 557 A N -0.183 122.346 122.820 -0.485 0.000 1.883 557 A HA -0.293 4.181 4.320 0.257 0.000 0.217 557 A C 2.017 179.508 177.584 -0.154 0.000 1.186 557 A CA 1.921 53.440 52.037 -0.864 0.000 0.624 557 A CB -1.113 17.150 19.000 -1.228 0.000 0.822 557 A HN 0.632 nan 8.150 nan 0.000 0.444 558 W N 0.545 121.755 121.300 -0.150 0.000 2.358 558 W HA -0.144 4.668 4.660 0.254 0.000 0.303 558 W C 1.823 178.347 176.519 0.009 0.000 1.208 558 W CA 1.854 59.190 57.345 -0.014 0.000 1.274 558 W CB -0.265 29.203 29.460 0.013 0.000 1.138 558 W HN 0.304 nan 8.180 nan 0.000 0.515 559 I N -0.226 120.319 120.570 -0.042 0.000 2.163 559 I HA -0.327 3.997 4.170 0.257 0.000 0.243 559 I C 2.420 178.387 176.117 -0.251 0.000 1.085 559 I CA 1.680 62.732 61.300 -0.414 0.000 1.347 559 I CB -0.903 36.761 38.000 -0.561 0.000 1.044 559 I HN -0.021 nan 8.210 nan 0.000 0.408 560 F N 1.774 121.614 119.950 -0.183 0.000 2.091 560 F HA -0.227 4.453 4.527 0.255 0.000 0.299 560 F C 2.323 178.106 175.800 -0.030 0.000 1.103 560 F CA 1.936 59.920 58.000 -0.026 0.000 1.228 560 F CB -0.761 38.337 39.000 0.163 0.000 0.984 560 F HN 0.009 nan 8.300 nan 0.000 0.477 561 G N -0.035 108.890 108.800 0.209 0.000 2.422 561 G HA2 -0.200 3.915 3.960 0.257 0.000 0.218 561 G HA3 -0.200 3.915 3.960 0.257 0.000 0.218 561 G C 1.780 176.592 174.900 -0.145 0.000 1.140 561 G CA 0.360 45.505 45.100 0.076 0.000 0.775 561 G HN 0.162 nan 8.290 nan 0.000 0.545 562 R N 0.399 120.700 120.500 -0.332 0.000 2.096 562 R HA 0.036 4.531 4.340 0.257 0.000 0.235 562 R C 2.533 178.755 176.300 -0.131 0.000 1.127 562 R CA 0.712 56.624 56.100 -0.314 0.000 0.968 562 R CB -0.786 29.270 30.300 -0.406 0.000 0.861 562 R HN 0.484 nan 8.270 nan 0.000 0.440 563 I N 0.917 121.424 120.570 -0.105 0.000 2.286 563 I HA -0.251 4.074 4.170 0.257 0.000 0.248 563 I C 2.092 178.133 176.117 -0.125 0.000 1.115 563 I CA 1.211 62.454 61.300 -0.094 0.000 1.392 563 I CB -0.365 37.526 38.000 -0.180 0.000 1.065 563 I HN 0.148 nan 8.210 nan 0.000 0.418 564 Q N 0.753 120.465 119.800 -0.147 0.000 2.437 564 Q HA -0.018 4.477 4.340 0.257 0.000 0.210 564 Q C 1.462 177.428 176.000 -0.057 0.000 0.972 564 Q CA 0.782 56.532 55.803 -0.088 0.000 0.903 564 Q CB 0.113 28.837 28.738 -0.022 0.000 0.967 564 Q HN 0.704 nan 8.270 nan 0.000 0.486 565 G N 1.274 110.028 108.800 -0.077 0.000 2.132 565 G HA2 -0.284 3.831 3.960 0.257 0.000 0.234 565 G HA3 -0.284 3.831 3.960 0.257 0.000 0.234 565 G C -0.256 174.594 174.900 -0.083 0.000 0.989 565 G CA -0.222 44.832 45.100 -0.077 0.000 0.676 565 G HN 0.208 nan 8.290 nan 0.000 0.522 566 R N 0.389 120.836 120.500 -0.088 0.000 2.594 566 R HA 0.331 4.825 4.340 0.257 0.000 0.272 566 R C -0.646 175.594 176.300 -0.100 0.000 1.074 566 R CA -0.220 55.840 56.100 -0.067 0.000 1.105 566 R CB 0.539 30.819 30.300 -0.034 0.000 1.008 566 R HN 0.078 nan 8.270 nan 0.000 0.472 567 D N 2.236 122.604 120.400 -0.055 0.000 2.563 567 D HA 0.040 4.834 4.640 0.257 0.000 0.222 567 D C 0.387 176.691 176.300 0.008 0.000 1.145 567 D CA 0.262 54.227 54.000 -0.058 0.000 1.001 567 D CB 0.786 41.565 40.800 -0.036 0.000 1.049 567 D HN 0.588 nan 8.370 nan 0.000 0.515 568 T N -2.410 112.160 114.554 0.025 0.000 3.200 568 T HA 0.529 5.034 4.350 0.257 0.000 0.284 568 T C 0.381 175.324 174.700 0.404 0.000 1.009 568 T CA -0.585 61.631 62.100 0.193 0.000 0.907 568 T CB 0.644 69.633 68.868 0.201 0.000 1.120 568 T HN 0.187 nan 8.240 nan 0.000 0.534 569 A N 2.102 125.080 122.820 0.263 0.000 2.401 569 A HA 0.866 5.341 4.320 0.257 0.000 0.310 569 A C -0.261 177.585 177.584 0.435 0.000 1.075 569 A CA -1.373 50.916 52.037 0.420 0.000 0.746 569 A CB 1.461 20.663 19.000 0.336 0.000 1.277 569 A HN 0.612 nan 8.150 nan 0.000 0.425 570 R N 1.539 122.333 120.500 0.491 0.000 2.711 570 R HA 0.772 5.267 4.340 0.257 0.000 0.284 570 R C -3.049 173.528 176.300 0.462 0.000 0.968 570 R CA -1.859 54.513 56.100 0.454 0.000 0.924 570 R CB 2.009 32.439 30.300 0.216 0.000 1.162 570 R HN 0.430 nan 8.270 nan 0.000 0.465 571 P HA 0.147 nan 4.420 nan 0.000 0.282 571 P C -0.852 176.450 177.300 0.003 0.000 1.249 571 P CA -0.219 62.831 63.100 -0.083 0.000 0.806 571 P CB 1.790 33.291 31.700 -0.331 0.000 0.984 572 T N -1.726 112.835 114.554 0.011 0.000 2.838 572 T HA 0.491 4.996 4.350 0.257 0.000 0.292 572 T C -2.282 172.419 174.700 0.002 0.000 1.113 572 T CA -2.102 59.997 62.100 -0.002 0.000 1.008 572 T CB 0.951 69.810 68.868 -0.016 0.000 1.259 572 T HN -0.005 nan 8.240 nan 0.000 0.520 573 P HA 0.058 nan 4.420 nan 0.000 0.221 573 P C 1.301 178.512 177.300 -0.148 0.000 1.145 573 P CA 0.801 63.843 63.100 -0.096 0.000 0.795 573 P CB -0.266 31.350 31.700 -0.141 0.000 0.775 574 I N -6.587 113.832 120.570 -0.251 0.000 4.018 574 I HA 0.516 4.840 4.170 0.257 0.000 0.337 574 I C 0.780 176.740 176.117 -0.261 0.000 1.327 574 I CA -0.063 61.035 61.300 -0.336 0.000 1.100 574 I CB 0.291 37.890 38.000 -0.668 0.000 1.025 574 I HN -0.075 nan 8.210 nan 0.000 0.396 575 G N 0.406 108.926 108.800 -0.467 0.000 2.346 575 G HA2 -0.002 4.113 3.960 0.257 0.000 0.294 575 G HA3 -0.002 4.113 3.960 0.257 0.000 0.294 575 G C -1.970 172.606 174.900 -0.540 0.000 1.294 575 G CA -0.994 43.476 45.100 -1.049 0.000 0.962 575 G HN 0.254 nan 8.290 nan 0.000 0.508 576 W N 0.328 121.485 121.300 -0.238 0.000 2.218 576 W HA 0.520 5.333 4.660 0.255 0.000 0.326 576 W C 0.871 177.468 176.519 0.129 0.000 1.276 576 W CA 0.207 57.617 57.345 0.109 0.000 1.210 576 W CB 1.462 31.072 29.460 0.250 0.000 1.143 576 W HN 0.651 nan 8.180 nan 0.000 0.563 577 V N 0.935 121.051 119.914 0.336 0.000 3.001 577 V HA 0.669 4.944 4.120 0.257 0.000 0.314 577 V C -2.501 173.508 176.094 -0.140 0.000 1.099 577 V CA -3.525 58.768 62.300 -0.011 0.000 0.989 577 V CB 1.627 33.348 31.823 -0.170 0.000 1.040 577 V HN 0.304 nan 8.190 nan 0.000 0.434 578 P HA 0.194 nan 4.420 nan 0.000 0.268 578 P C -0.643 176.501 177.300 -0.260 0.000 1.204 578 P CA 0.009 62.710 63.100 -0.665 0.000 0.768 578 P CB 0.301 31.180 31.700 -1.369 0.000 0.842 579 K N 1.848 122.240 120.400 -0.014 0.000 2.382 579 K HA 0.024 4.499 4.320 0.257 0.000 0.275 579 K C 0.633 177.108 176.600 -0.209 0.000 1.009 579 K CA -0.082 56.164 56.287 -0.068 0.000 0.970 579 K CB 0.344 32.855 32.500 0.018 0.000 0.934 579 K HN 0.488 nan 8.250 nan 0.000 0.479 580 E N 0.634 120.499 120.200 -0.558 0.000 2.480 580 E HA -0.050 4.454 4.350 0.257 0.000 0.258 580 E C 0.693 177.113 176.600 -0.300 0.000 0.984 580 E CA 0.864 56.770 56.400 -0.823 0.000 0.930 580 E CB 0.108 29.070 29.700 -1.229 0.000 0.936 580 E HN 0.770 nan 8.360 nan 0.000 0.466 581 G N 4.490 113.208 108.800 -0.137 0.000 2.213 581 G HA2 -0.221 3.893 3.960 0.257 0.000 0.236 581 G HA3 -0.221 3.893 3.960 0.257 0.000 0.236 581 G C 0.586 175.506 174.900 0.035 0.000 0.991 581 G CA 0.232 45.311 45.100 -0.035 0.000 0.629 581 G HN 0.669 nan 8.290 nan 0.000 0.517 582 D N -0.353 120.081 120.400 0.057 0.000 2.360 582 D HA 0.223 5.017 4.640 0.257 0.000 0.210 582 D C 0.686 177.115 176.300 0.216 0.000 1.047 582 D CA 0.076 54.177 54.000 0.169 0.000 0.854 582 D CB 0.702 41.653 40.800 0.250 0.000 0.936 582 D HN 0.406 nan 8.370 nan 0.000 0.514 583 L N 1.697 122.982 121.223 0.104 0.000 2.272 583 L HA 0.257 4.752 4.340 0.257 0.000 0.289 583 L C -0.460 176.494 176.870 0.140 0.000 1.032 583 L CA -0.530 54.375 54.840 0.109 0.000 0.810 583 L CB 1.429 43.528 42.059 0.067 0.000 1.205 583 L HN -0.309 nan 8.230 nan 0.000 0.422 584 D N 5.139 125.626 120.400 0.145 0.000 2.344 584 D HA 0.127 4.922 4.640 0.257 0.000 0.253 584 D C 0.341 176.737 176.300 0.160 0.000 1.255 584 D CA 0.263 54.343 54.000 0.134 0.000 0.894 584 D CB 0.574 41.442 40.800 0.113 0.000 1.067 584 D HN 0.633 nan 8.370 nan 0.000 0.492 585 L N 2.989 124.301 121.223 0.149 0.000 2.818 585 L HA 0.316 4.811 4.340 0.257 0.000 0.243 585 L C 1.392 178.312 176.870 0.083 0.000 1.185 585 L CA -0.578 54.350 54.840 0.147 0.000 0.988 585 L CB 0.544 42.712 42.059 0.182 0.000 1.292 585 L HN 0.311 nan 8.230 nan 0.000 0.519 586 G N -0.523 108.324 108.800 0.077 0.000 2.380 586 G HA2 0.343 4.458 3.960 0.257 0.000 0.242 586 G HA3 0.343 4.458 3.960 0.257 0.000 0.242 586 G C 1.108 176.032 174.900 0.041 0.000 1.298 586 G CA 0.541 45.674 45.100 0.055 0.000 0.878 586 G HN 0.422 nan 8.290 nan 0.000 0.542 587 G N 0.273 109.087 108.800 0.024 0.000 2.162 587 G HA2 -0.196 3.918 3.960 0.257 0.000 0.260 587 G HA3 -0.196 3.918 3.960 0.257 0.000 0.260 587 G C 0.275 175.155 174.900 -0.033 0.000 0.976 587 G CA 0.426 45.532 45.100 0.011 0.000 0.655 587 G HN 0.888 nan 8.290 nan 0.000 0.533 588 L N 0.974 122.168 121.223 -0.048 0.000 2.679 588 L HA 0.440 4.935 4.340 0.257 0.000 0.238 588 L C -0.965 175.881 176.870 -0.040 0.000 1.330 588 L CA -1.889 52.889 54.840 -0.103 0.000 0.935 588 L CB 1.335 43.298 42.059 -0.161 0.000 1.243 588 L HN -0.113 nan 8.230 nan 0.000 0.484 589 P HA -0.019 nan 4.420 nan 0.000 0.221 589 P C 1.499 178.798 177.300 -0.002 0.000 1.150 589 P CA 0.713 63.811 63.100 -0.004 0.000 0.800 589 P CB 0.440 32.138 31.700 -0.005 0.000 0.787 590 G N -0.593 108.196 108.800 -0.020 0.000 2.650 590 G HA2 0.007 4.121 3.960 0.257 0.000 0.214 590 G HA3 0.007 4.121 3.960 0.257 0.000 0.214 590 G C 0.313 175.215 174.900 0.003 0.000 1.136 590 G CA 0.111 45.204 45.100 -0.012 0.000 0.789 590 G HN 0.184 nan 8.290 nan 0.000 0.536 591 V N 0.899 120.817 119.914 0.007 0.000 2.407 591 V HA 0.305 4.580 4.120 0.257 0.000 0.278 591 V C -0.840 175.310 176.094 0.094 0.000 1.037 591 V CA -0.885 61.444 62.300 0.049 0.000 0.900 591 V CB 1.567 33.420 31.823 0.051 0.000 0.983 591 V HN 0.218 nan 8.190 nan 0.000 0.459 592 D N 2.145 122.607 120.400 0.102 0.000 2.233 592 D HA 0.250 5.044 4.640 0.257 0.000 0.240 592 D C 0.582 176.990 176.300 0.180 0.000 1.074 592 D CA -0.471 53.607 54.000 0.130 0.000 0.838 592 D CB 1.125 41.982 40.800 0.094 0.000 1.124 592 D HN 0.523 nan 8.370 nan 0.000 0.475 593 Y N 3.216 123.585 120.300 0.114 0.000 2.151 593 Y HA -0.272 4.433 4.550 0.258 0.000 0.284 593 Y C 2.201 178.229 175.900 0.214 0.000 1.166 593 Y CA 2.353 60.562 58.100 0.182 0.000 1.163 593 Y CB -0.145 38.395 38.460 0.133 0.000 0.974 593 Y HN 0.509 nan 8.280 nan 0.000 0.511 594 S N -0.534 115.332 115.700 0.277 0.000 2.423 594 S HA -0.210 4.415 4.470 0.257 0.000 0.231 594 S C 1.799 176.417 174.600 0.031 0.000 1.014 594 S CA 1.216 59.516 58.200 0.166 0.000 0.965 594 S CB -0.480 62.829 63.200 0.181 0.000 0.785 594 S HN 0.661 nan 8.310 nan 0.000 0.495 595 Q N 0.467 120.273 119.800 0.009 0.000 2.230 595 Q HA 0.145 4.639 4.340 0.257 0.000 0.202 595 Q C 1.993 177.900 176.000 -0.156 0.000 0.963 595 Q CA 0.991 56.767 55.803 -0.046 0.000 0.866 595 Q CB -0.236 28.497 28.738 -0.008 0.000 0.931 595 Q HN 0.618 nan 8.270 nan 0.000 0.452 596 L N -1.218 119.847 121.223 -0.263 0.000 2.341 596 L HA 0.022 4.516 4.340 0.257 0.000 0.214 596 L C 0.268 176.508 176.870 -1.049 0.000 1.115 596 L CA 0.372 54.830 54.840 -0.636 0.000 0.820 596 L CB 0.253 41.854 42.059 -0.763 0.000 0.944 596 L HN 0.055 nan 8.230 nan 0.000 0.452 597 F N 0.741 120.471 119.950 -0.366 0.000 2.530 597 F HA 0.331 5.012 4.527 0.258 0.000 0.318 597 F C -2.002 173.703 175.800 -0.159 0.000 1.356 597 F CA -2.324 55.488 58.000 -0.312 0.000 1.135 597 F CB -0.037 38.668 39.000 -0.491 0.000 1.315 597 F HN -0.138 nan 8.300 nan 0.000 0.549 598 P HA 0.125 nan 4.420 nan 0.000 0.269 598 P C -0.360 176.988 177.300 0.080 0.000 1.215 598 P CA -0.179 62.910 63.100 -0.017 0.000 0.780 598 P CB 1.507 33.134 31.700 -0.121 0.000 0.898 599 M N 1.715 121.385 119.600 0.116 0.000 2.542 599 M HA 0.212 4.846 4.480 0.257 0.000 0.273 599 M C -1.167 175.261 176.300 0.215 0.000 1.296 599 M CA -0.086 55.331 55.300 0.194 0.000 0.631 599 M CB 0.300 32.978 32.600 0.130 0.000 1.747 599 M HN 0.172 nan 8.290 nan 0.000 0.378 600 E N 1.229 121.599 120.200 0.283 0.000 2.134 600 E HA 0.258 4.762 4.350 0.257 0.000 0.278 600 E C 0.462 177.269 176.600 0.345 0.000 0.959 600 E CA -0.444 56.094 56.400 0.231 0.000 0.783 600 E CB 1.873 31.652 29.700 0.131 0.000 1.095 600 E HN 0.459 nan 8.360 nan 0.000 0.399 601 K N 3.034 123.578 120.400 0.241 0.000 2.009 601 K HA -0.185 4.289 4.320 0.257 0.000 0.210 601 K C 1.889 178.613 176.600 0.206 0.000 1.049 601 K CA 1.852 58.274 56.287 0.225 0.000 0.929 601 K CB -0.325 32.255 32.500 0.134 0.000 0.714 601 K HN 0.684 nan 8.250 nan 0.000 0.440 602 G N 0.607 109.493 108.800 0.144 0.000 2.440 602 G HA2 -0.304 3.810 3.960 0.257 0.000 0.218 602 G HA3 -0.304 3.810 3.960 0.257 0.000 0.218 602 G C 1.363 176.300 174.900 0.061 0.000 1.154 602 G CA 0.875 46.028 45.100 0.089 0.000 0.767 602 G HN 0.441 nan 8.290 nan 0.000 0.552 603 F N 0.115 120.026 119.950 -0.065 0.000 2.095 603 F HA -0.105 4.576 4.527 0.255 0.000 0.298 603 F C 2.329 177.949 175.800 -0.300 0.000 1.104 603 F CA 1.751 59.610 58.000 -0.234 0.000 1.232 603 F CB -0.177 38.603 39.000 -0.366 0.000 0.987 603 F HN 0.230 nan 8.300 nan 0.000 0.475 604 W N 0.844 122.177 121.300 0.056 0.000 2.476 604 W HA -0.002 4.811 4.660 0.255 0.000 0.281 604 W C 2.372 178.845 176.519 -0.077 0.000 1.230 604 W CA 0.936 58.265 57.345 -0.027 0.000 1.287 604 W CB -0.391 29.137 29.460 0.113 0.000 1.108 604 W HN 0.023 nan 8.180 nan 0.000 0.567 605 E N 0.418 120.701 120.200 0.138 0.000 2.058 605 E HA -0.285 4.219 4.350 0.257 0.000 0.194 605 E C 1.853 178.436 176.600 -0.027 0.000 0.997 605 E CA 1.667 58.104 56.400 0.062 0.000 0.801 605 E CB -0.174 29.555 29.700 0.049 0.000 0.746 605 E HN 0.134 nan 8.360 nan 0.000 0.450 606 E N 1.181 121.304 120.200 -0.128 0.000 2.077 606 E HA -0.231 4.273 4.350 0.257 0.000 0.193 606 E C 1.841 178.289 176.600 -0.253 0.000 0.989 606 E CA 1.468 57.750 56.400 -0.196 0.000 0.800 606 E CB -0.075 29.470 29.700 -0.259 0.000 0.746 606 E HN 0.085 nan 8.360 nan 0.000 0.452 607 E N -0.384 119.571 120.200 -0.409 0.000 2.058 607 E HA -0.173 4.331 4.350 0.257 0.000 0.194 607 E C 2.059 178.612 176.600 -0.079 0.000 0.997 607 E CA 1.683 57.861 56.400 -0.371 0.000 0.801 607 E CB -0.659 28.701 29.700 -0.568 0.000 0.746 607 E HN 0.398 nan 8.360 nan 0.000 0.450 608 C N 0.311 119.639 119.300 0.047 0.000 2.413 608 C HA -0.095 4.519 4.460 0.257 0.000 0.276 608 C C 2.582 177.605 174.990 0.054 0.000 1.236 608 C CA 0.990 60.073 59.018 0.108 0.000 1.735 608 C CB -1.008 26.811 27.740 0.131 0.000 2.031 608 C HN 0.447 nan 8.230 nan 0.000 0.474 609 R N 0.266 120.772 120.500 0.010 0.000 2.083 609 R HA -0.164 4.330 4.340 0.257 0.000 0.237 609 R C 2.459 178.758 176.300 -0.002 0.000 1.137 609 R CA 1.353 57.455 56.100 0.003 0.000 0.951 609 R CB -0.382 29.908 30.300 -0.017 0.000 0.851 609 R HN 0.643 nan 8.270 nan 0.000 0.434 610 Q N 0.631 120.411 119.800 -0.033 0.000 2.061 610 Q HA -0.147 4.348 4.340 0.257 0.000 0.204 610 Q C 2.370 178.377 176.000 0.011 0.000 0.984 610 Q CA 1.347 57.142 55.803 -0.014 0.000 0.846 610 Q CB -0.285 28.413 28.738 -0.066 0.000 0.902 610 Q HN 0.401 nan 8.270 nan 0.000 0.421 611 L N 0.125 121.332 121.223 -0.027 0.000 2.046 611 L HA -0.183 4.312 4.340 0.257 0.000 0.208 611 L C 2.782 179.555 176.870 -0.162 0.000 1.077 611 L CA 1.179 55.921 54.840 -0.163 0.000 0.747 611 L CB -0.403 41.597 42.059 -0.098 0.000 0.896 611 L HN 0.182 nan 8.230 nan 0.000 0.432 612 R N -0.134 120.386 120.500 0.033 0.000 2.083 612 R HA -0.191 4.304 4.340 0.257 0.000 0.237 612 R C 2.360 178.708 176.300 0.079 0.000 1.137 612 R CA 1.405 57.572 56.100 0.113 0.000 0.951 612 R CB -0.066 30.294 30.300 0.100 0.000 0.851 612 R HN 0.240 nan 8.270 nan 0.000 0.434 613 E N -0.397 119.829 120.200 0.042 0.000 2.072 613 E HA -0.212 4.292 4.350 0.257 0.000 0.191 613 E C 1.681 178.296 176.600 0.024 0.000 0.985 613 E CA 1.116 57.536 56.400 0.035 0.000 0.801 613 E CB -0.292 29.425 29.700 0.029 0.000 0.750 613 E HN 0.387 nan 8.360 nan 0.000 0.452 614 Y N 0.387 120.589 120.300 -0.162 0.000 2.097 614 Y HA -0.282 4.422 4.550 0.256 0.000 0.282 614 Y C 2.094 177.955 175.900 -0.064 0.000 1.152 614 Y CA 1.912 59.844 58.100 -0.281 0.000 1.136 614 Y CB -0.832 37.176 38.460 -0.752 0.000 0.975 614 Y HN 0.095 nan 8.280 nan 0.000 0.498 615 Y N -0.503 119.754 120.300 -0.072 0.000 2.165 615 Y HA -0.209 4.494 4.550 0.255 0.000 0.286 615 Y C 2.722 178.601 175.900 -0.034 0.000 1.155 615 Y CA 0.477 58.531 58.100 -0.077 0.000 1.164 615 Y CB -0.743 37.700 38.460 -0.029 0.000 0.978 615 Y HN 0.262 nan 8.280 nan 0.000 0.513 616 G N -0.287 108.591 108.800 0.130 0.000 2.404 616 G HA2 -0.202 3.912 3.960 0.257 0.000 0.215 616 G HA3 -0.202 3.912 3.960 0.257 0.000 0.215 616 G C 1.486 176.392 174.900 0.011 0.000 1.174 616 G CA 0.838 45.979 45.100 0.068 0.000 0.780 616 G HN 0.223 nan 8.290 nan 0.000 0.537 617 E N 0.832 121.013 120.200 -0.033 0.000 2.072 617 E HA -0.046 4.458 4.350 0.257 0.000 0.190 617 E C 2.219 178.748 176.600 -0.119 0.000 0.982 617 E CA 1.010 57.371 56.400 -0.064 0.000 0.803 617 E CB -0.187 29.477 29.700 -0.060 0.000 0.755 617 E HN 0.532 nan 8.360 nan 0.000 0.453 618 N N -1.327 117.247 118.700 -0.209 0.000 2.414 618 N HA 0.072 4.967 4.740 0.257 0.000 0.177 618 N C 1.261 176.514 175.510 -0.428 0.000 1.062 618 N CA 0.197 53.037 53.050 -0.350 0.000 0.890 618 N CB 0.145 38.293 38.487 -0.565 0.000 1.070 618 N HN -0.002 nan 8.380 nan 0.000 0.454 619 F N 0.447 120.257 119.950 -0.233 0.000 2.500 619 F HA 0.351 5.031 4.527 0.253 0.000 0.285 619 F C 2.012 177.744 175.800 -0.113 0.000 1.088 619 F CA 0.532 58.435 58.000 -0.161 0.000 1.432 619 F CB -0.457 38.465 39.000 -0.131 0.000 1.131 619 F HN 0.013 nan 8.300 nan 0.000 0.582 620 G N 1.184 110.038 108.800 0.090 0.000 2.634 620 G HA2 -0.412 3.702 3.960 0.257 0.000 0.309 620 G HA3 -0.412 3.702 3.960 0.257 0.000 0.309 620 G C 1.385 176.309 174.900 0.041 0.000 1.265 620 G CA 0.761 45.883 45.100 0.037 0.000 0.998 620 G HN 0.641 nan 8.290 nan 0.000 0.551 621 A N -1.003 121.825 122.820 0.013 0.000 2.121 621 A HA 0.142 4.617 4.320 0.257 0.000 0.218 621 A C 1.858 179.453 177.584 0.017 0.000 1.154 621 A CA 2.296 54.337 52.037 0.008 0.000 0.679 621 A CB -0.290 18.707 19.000 -0.006 0.000 0.795 621 A HN 0.555 nan 8.150 nan 0.000 0.458 622 D N -0.972 119.450 120.400 0.038 0.000 2.355 622 D HA 0.076 4.870 4.640 0.257 0.000 0.218 622 D C 0.313 176.678 176.300 0.108 0.000 1.004 622 D CA 0.054 54.090 54.000 0.060 0.000 0.880 622 D CB -0.116 40.706 40.800 0.037 0.000 0.911 622 D HN 0.374 nan 8.370 nan 0.000 0.528 623 L N 2.190 123.464 121.223 0.085 0.000 2.418 623 L HA 0.211 4.705 4.340 0.257 0.000 0.274 623 L C -2.261 174.559 176.870 -0.083 0.000 1.135 623 L CA -1.176 53.623 54.840 -0.068 0.000 0.870 623 L CB 0.425 42.373 42.059 -0.184 0.000 1.154 623 L HN -0.254 nan 8.230 nan 0.000 0.462 624 P HA 0.092 nan 4.420 nan 0.000 0.268 624 P C -0.031 177.228 177.300 -0.070 0.000 1.204 624 P CA -0.266 62.806 63.100 -0.046 0.000 0.768 624 P CB 0.657 32.349 31.700 -0.014 0.000 0.842 625 R N 3.263 123.742 120.500 -0.035 0.000 2.103 625 R HA -0.197 4.297 4.340 0.257 0.000 0.242 625 R C 1.142 177.420 176.300 -0.037 0.000 1.142 625 R CA 2.068 58.147 56.100 -0.035 0.000 0.960 625 R CB -1.267 29.024 30.300 -0.015 0.000 0.858 625 R HN 0.391 nan 8.270 nan 0.000 0.439 626 D N -0.506 119.888 120.400 -0.010 0.000 2.182 626 D HA -0.121 4.673 4.640 0.257 0.000 0.201 626 D C 1.842 178.136 176.300 -0.009 0.000 0.986 626 D CA 1.432 55.437 54.000 0.009 0.000 0.847 626 D CB -0.057 40.780 40.800 0.061 0.000 0.942 626 D HN 0.163 nan 8.370 nan 0.000 0.467 627 V N 0.717 120.605 119.914 -0.044 0.000 2.307 627 V HA -0.234 4.041 4.120 0.257 0.000 0.245 627 V C 2.332 178.361 176.094 -0.109 0.000 1.045 627 V CA 1.344 63.607 62.300 -0.062 0.000 1.024 627 V CB -0.398 31.283 31.823 -0.236 0.000 0.651 627 V HN 0.141 nan 8.190 nan 0.000 0.449 628 M N 1.185 120.692 119.600 -0.155 0.000 2.108 628 M HA -0.104 4.530 4.480 0.257 0.000 0.261 628 M C 2.085 178.332 176.300 -0.088 0.000 1.066 628 M CA 2.162 57.402 55.300 -0.100 0.000 1.107 628 M CB -0.932 31.621 32.600 -0.077 0.000 1.356 628 M HN 0.267 nan 8.290 nan 0.000 0.406 629 A N -0.292 122.477 122.820 -0.085 0.000 1.948 629 A HA -0.184 4.291 4.320 0.257 0.000 0.220 629 A C 2.036 179.525 177.584 -0.159 0.000 1.177 629 A CA 1.980 53.963 52.037 -0.090 0.000 0.636 629 A CB -0.804 18.162 19.000 -0.057 0.000 0.815 629 A HN 0.593 nan 8.150 nan 0.000 0.449 630 E N -0.644 119.417 120.200 -0.232 0.000 2.107 630 E HA -0.132 4.373 4.350 0.257 0.000 0.191 630 E C 1.984 178.105 176.600 -0.798 0.000 0.982 630 E CA 1.016 57.134 56.400 -0.471 0.000 0.809 630 E CB -0.518 28.893 29.700 -0.482 0.000 0.756 630 E HN 0.538 nan 8.360 nan 0.000 0.459 631 L N 1.906 122.740 121.223 -0.648 0.000 2.012 631 L HA -0.184 4.310 4.340 0.257 0.000 0.210 631 L C 1.924 178.705 176.870 -0.149 0.000 1.073 631 L CA 1.881 56.542 54.840 -0.299 0.000 0.748 631 L CB -0.439 41.722 42.059 0.171 0.000 0.891 631 L HN 0.024 nan 8.230 nan 0.000 0.431 632 E N -0.578 119.553 120.200 -0.115 0.000 2.085 632 E HA -0.205 4.300 4.350 0.257 0.000 0.194 632 E C 2.076 178.613 176.600 -0.105 0.000 0.994 632 E CA 1.087 57.440 56.400 -0.078 0.000 0.801 632 E CB -0.597 29.065 29.700 -0.064 0.000 0.743 632 E HN 0.708 nan 8.360 nan 0.000 0.453 633 G N 1.364 110.067 108.800 -0.162 0.000 2.418 633 G HA2 -0.261 3.853 3.960 0.257 0.000 0.217 633 G HA3 -0.261 3.853 3.960 0.257 0.000 0.217 633 G C 1.554 176.361 174.900 -0.155 0.000 1.158 633 G CA 0.701 45.702 45.100 -0.166 0.000 0.771 633 G HN 0.157 nan 8.290 nan 0.000 0.545 634 L N 0.688 121.802 121.223 -0.181 0.000 2.017 634 L HA 0.038 4.532 4.340 0.257 0.000 0.208 634 L C 2.648 179.494 176.870 -0.040 0.000 1.073 634 L CA 2.176 56.954 54.840 -0.104 0.000 0.745 634 L CB -0.754 41.277 42.059 -0.047 0.000 0.894 634 L HN 0.379 nan 8.230 nan 0.000 0.432 635 E N -0.546 119.644 120.200 -0.017 0.000 2.070 635 E HA -0.294 4.210 4.350 0.257 0.000 0.197 635 E C 2.063 178.656 176.600 -0.010 0.000 1.004 635 E CA 1.454 57.860 56.400 0.011 0.000 0.805 635 E CB -0.333 29.377 29.700 0.016 0.000 0.744 635 E HN 0.609 nan 8.360 nan 0.000 0.451 636 E N 1.462 121.640 120.200 -0.038 0.000 2.058 636 E HA -0.254 4.251 4.350 0.257 0.000 0.194 636 E C 2.024 178.596 176.600 -0.047 0.000 0.997 636 E CA 1.293 57.667 56.400 -0.044 0.000 0.801 636 E CB -0.019 29.643 29.700 -0.062 0.000 0.746 636 E HN 0.206 nan 8.360 nan 0.000 0.450 637 R N 0.049 120.510 120.500 -0.065 0.000 2.092 637 R HA -0.057 4.438 4.340 0.257 0.000 0.231 637 R C 2.601 178.876 176.300 -0.042 0.000 1.119 637 R CA 1.227 57.285 56.100 -0.070 0.000 0.970 637 R CB -0.182 30.061 30.300 -0.096 0.000 0.864 637 R HN 0.105 nan 8.270 nan 0.000 0.440 638 V N 0.376 120.278 119.914 -0.021 0.000 2.307 638 V HA -0.252 4.023 4.120 0.257 0.000 0.245 638 V C 2.558 178.671 176.094 0.031 0.000 1.045 638 V CA 1.857 64.171 62.300 0.023 0.000 1.024 638 V CB -0.555 31.317 31.823 0.082 0.000 0.651 638 V HN 0.246 nan 8.190 nan 0.000 0.449 639 R N 0.332 120.844 120.500 0.020 0.000 2.133 639 R HA -0.195 4.300 4.340 0.257 0.000 0.247 639 R C 1.994 178.299 176.300 0.009 0.000 1.151 639 R CA 2.006 58.116 56.100 0.016 0.000 0.971 639 R CB -0.799 29.505 30.300 0.006 0.000 0.866 639 R HN 0.711 nan 8.270 nan 0.000 0.447 640 K N 0.172 120.570 120.400 -0.003 0.000 2.504 640 K HA 0.208 4.683 4.320 0.257 0.000 0.199 640 K C 0.824 177.422 176.600 -0.002 0.000 1.028 640 K CA 0.209 56.491 56.287 -0.009 0.000 1.164 640 K CB 0.092 32.577 32.500 -0.025 0.000 0.877 640 K HN 0.541 nan 8.250 nan 0.000 0.508 641 M N 0.000 119.607 119.600 0.012 0.000 2.572 641 M HA 0.000 4.634 4.480 0.257 0.000 0.227 641 M CA 0.000 55.313 55.300 0.021 0.000 0.988 641 M CB 0.000 32.618 32.600 0.030 0.000 1.302 641 M HN 0.000 nan 8.290 nan 0.000 0.411