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 3e80_1_C DATA FIRST_RESID 27 DATA SEQUENCE TKADVVWKDV DGVSMPIPPK THPRLYLREQ QVPDLKNRMN DPKLKKVWAD DATA SEQUENCE MIKMQEDWKP ADIPEVKDFR FYFNQKGLTV RVELMALNYL MTKDPKVGRE DATA SEQUENCE AITSIIDTLE TATFKPAGDI SRGIGLFMVT GAIVYDWCYD QLKPEEKTRF DATA SEQUENCE VKAFVRLAKM LECGYPPVKD KSIVGHASEW MIMRDLLSVG IAIYDEFPEM DATA SEQUENCE YNLAAGRFFK EHLVARNWFY PSHNYHQGMS YLNVRFTNDL FALWILDRMG DATA SEQUENCE AGNVFNPGQQ FILYDAIYKR RPDGQILAGG DVDYSRKKPK YYTMPALLAG DATA SEQUENCE SYYKDEYLNY EFLKDPNVEP HCKLFEFLWR DTQLGSRKPD DLPLSRYSGS DATA SEQUENCE PFGWMIARTG WGPESVIAEM KVNEYSFLNH QHQDAGAFQI YYKGPLAIDA DATA SEQUENCE GSYTGSSGGY NSPHNKNFFK RTIAHNSLLI YDPKETFSSS GYGGSDHTDF DATA SEQUENCE AANDGGQRLP GKGWIAPRDL KEMLAGDFRT GKILAQGFGP DNQTPDYTYL DATA SEQUENCE KGDITAAYSA KVKEVKRSFL FLNLKDAKVP AAMIVFDKVV ASNPDFKKFW DATA SEQUENCE LLHSIEQPEI KGNQITIKRT KNGDSGMLVN TALLPDAANS NITSIGGKGK DATA SEQUENCE DFWVFGTNYT NDPKPGTDEA LERGEWRVEI TPKKAAAEDY YLNVIQIADN DATA SEQUENCE TQQKLHEVKR IDGDKVVGVQ LADRIVTFSK TSETVDRPFG FSVVGKGTFK DATA SEQUENCE FVMTDLLPGT WQVLKDGKIL YPALSAKGDD GALYFEGTEG TYRFLR 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 27 T HA 0.000 nan 4.350 nan 0.000 0.228 27 T C 0.000 174.678 174.700 -0.036 0.000 1.109 27 T CA 0.000 62.045 62.100 -0.091 0.000 1.349 27 T CB 0.000 68.838 68.868 -0.050 0.000 0.612 28 K N 0.488 120.879 120.400 -0.015 0.000 2.414 28 K HA 0.573 4.893 4.320 0.000 0.000 0.272 28 K C 0.491 177.121 176.600 0.051 0.000 0.993 28 K CA 0.079 56.376 56.287 0.017 0.000 0.964 28 K CB 0.325 32.831 32.500 0.010 0.000 0.925 28 K HN 0.861 nan 8.250 nan 0.000 0.487 29 A N 3.808 126.686 122.820 0.095 0.000 2.545 29 A HA 0.031 4.351 4.320 0.000 0.000 0.297 29 A C 0.184 177.858 177.584 0.152 0.000 1.340 29 A CA -0.191 51.948 52.037 0.169 0.000 1.016 29 A CB -0.269 18.921 19.000 0.317 0.000 1.122 29 A HN 0.852 nan 8.150 nan 0.000 0.537 30 D N 1.877 122.333 120.400 0.094 0.000 2.349 30 D HA 0.008 4.648 4.640 0.000 0.000 0.215 30 D C 0.694 177.027 176.300 0.056 0.000 1.016 30 D CA 0.591 54.629 54.000 0.063 0.000 0.870 30 D CB -0.786 40.029 40.800 0.025 0.000 0.917 30 D HN 0.390 nan 8.370 nan 0.000 0.524 31 V N -1.481 118.465 119.914 0.053 0.000 3.083 31 V HA 0.382 4.502 4.120 0.000 0.000 0.306 31 V C 0.542 176.651 176.094 0.026 0.000 1.077 31 V CA -1.134 61.141 62.300 -0.041 0.000 1.073 31 V CB 1.400 33.102 31.823 -0.202 0.000 1.081 31 V HN -0.098 nan 8.190 nan 0.000 0.474 32 V N 2.323 122.202 119.914 -0.059 0.000 2.583 32 V HA 0.275 4.395 4.120 0.000 0.000 0.287 32 V C -0.260 175.783 176.094 -0.084 0.000 1.051 32 V CA -0.019 62.293 62.300 0.020 0.000 1.010 32 V CB 0.758 32.573 31.823 -0.013 0.000 0.988 32 V HN 0.931 nan 8.190 nan 0.000 0.478 33 W N 3.879 125.143 121.300 -0.059 0.000 2.578 33 W HA 0.733 5.393 4.660 0.000 0.000 0.346 33 W C 0.084 176.567 176.519 -0.060 0.000 1.075 33 W CA -0.658 56.642 57.345 -0.075 0.000 1.233 33 W CB 1.083 30.497 29.460 -0.076 0.000 1.358 33 W HN 0.318 nan 8.180 nan 0.000 0.574 34 K N 1.920 122.409 120.400 0.148 0.000 2.561 34 K HA 0.130 4.450 4.320 0.000 0.000 0.254 34 K C -1.509 175.125 176.600 0.057 0.000 0.942 34 K CA -0.539 55.797 56.287 0.081 0.000 0.818 34 K CB 1.541 34.063 32.500 0.038 0.000 1.306 34 K HN 0.408 nan 8.250 nan 0.000 0.435 35 D N 2.267 122.696 120.400 0.049 0.000 2.451 35 D HA 0.056 4.696 4.640 0.000 0.000 0.254 35 D C -0.403 175.906 176.300 0.015 0.000 1.204 35 D CA 0.299 54.316 54.000 0.029 0.000 0.896 35 D CB 0.721 41.533 40.800 0.020 0.000 1.136 35 D HN 0.149 nan 8.370 nan 0.000 0.499 36 V N 3.487 123.405 119.914 0.006 0.000 2.347 36 V HA 0.075 4.195 4.120 0.000 0.000 0.280 36 V C 0.286 176.383 176.094 0.004 0.000 1.021 36 V CA -0.670 61.632 62.300 0.003 0.000 0.847 36 V CB 1.344 33.165 31.823 -0.002 0.000 0.990 36 V HN 0.663 nan 8.190 nan 0.000 0.444 37 D N 4.945 125.346 120.400 0.002 0.000 2.735 37 D HA -0.176 4.464 4.640 0.000 0.000 0.235 37 D C 1.250 177.550 176.300 0.000 0.000 1.175 37 D CA 1.819 55.818 54.000 -0.000 0.000 0.683 37 D CB -1.006 39.792 40.800 -0.002 0.000 1.008 37 D HN 1.332 nan 8.370 nan 0.000 0.416 38 G N -1.605 107.196 108.800 0.001 0.000 2.212 38 G HA2 -0.268 3.692 3.960 0.000 0.000 0.266 38 G HA3 -0.268 3.692 3.960 0.000 0.000 0.266 38 G C 0.395 175.297 174.900 0.004 0.000 0.978 38 G CA 0.409 45.509 45.100 -0.000 0.000 0.632 38 G HN 1.021 nan 8.290 nan 0.000 0.537 39 V N 0.753 120.674 119.914 0.012 0.000 2.540 39 V HA 0.704 4.824 4.120 0.000 0.000 0.302 39 V C 0.634 176.745 176.094 0.029 0.000 1.035 39 V CA -0.124 62.192 62.300 0.025 0.000 0.873 39 V CB 1.796 33.644 31.823 0.041 0.000 0.992 39 V HN 0.384 nan 8.190 nan 0.000 0.428 40 S N 5.479 121.209 115.700 0.051 0.000 2.531 40 S HA 0.626 5.096 4.470 0.000 0.000 0.279 40 S C -0.387 174.242 174.600 0.049 0.000 1.305 40 S CA -0.154 58.106 58.200 0.100 0.000 1.058 40 S CB -0.036 63.239 63.200 0.126 0.000 0.899 40 S HN 0.592 nan 8.310 nan 0.000 0.493 41 M N 6.044 125.614 119.600 -0.050 0.000 2.501 41 M HA 0.439 4.919 4.480 0.000 0.000 0.293 41 M C -2.587 173.354 176.300 -0.598 0.000 1.192 41 M CA -2.161 52.825 55.300 -0.524 0.000 0.886 41 M CB 2.672 34.996 32.600 -0.461 0.000 1.710 41 M HN 0.405 nan 8.290 nan 0.000 0.457 42 P HA 0.328 nan 4.420 nan 0.000 0.280 42 P C -1.120 175.838 177.300 -0.571 0.000 1.244 42 P CA -0.037 62.293 63.100 -1.283 0.000 0.784 42 P CB 0.564 31.414 31.700 -1.417 0.000 0.913 43 I N 5.581 125.844 120.570 -0.510 0.000 2.325 43 I HA 0.237 4.407 4.170 0.000 0.000 0.291 43 I C -1.971 173.787 176.117 -0.597 0.000 1.019 43 I CA -2.689 58.339 61.300 -0.453 0.000 1.302 43 I CB 1.011 38.851 38.000 -0.268 0.000 1.401 43 I HN 0.120 nan 8.210 nan 0.000 0.485 44 P HA 0.039 nan 4.420 nan 0.000 0.265 44 P C -2.356 174.627 177.300 -0.528 0.000 1.187 44 P CA -0.663 61.967 63.100 -0.783 0.000 0.766 44 P CB -0.258 30.767 31.700 -1.126 0.000 0.820 45 P HA 0.088 nan 4.420 nan 0.000 0.274 45 P C 0.253 177.388 177.300 -0.275 0.000 1.231 45 P CA -0.185 62.760 63.100 -0.259 0.000 0.790 45 P CB 0.861 32.444 31.700 -0.195 0.000 0.951 46 K N 0.142 120.426 120.400 -0.193 0.000 2.643 46 K HA 0.049 4.369 4.320 0.000 0.000 0.193 46 K C -0.058 176.397 176.600 -0.241 0.000 1.027 46 K CA 0.560 56.744 56.287 -0.171 0.000 1.033 46 K CB -0.157 32.298 32.500 -0.075 0.000 0.827 46 K HN 0.491 nan 8.250 nan 0.000 0.500 47 T N -0.400 113.967 114.554 -0.310 0.000 2.885 47 T HA 0.323 4.673 4.350 0.000 0.000 0.285 47 T C -1.086 173.350 174.700 -0.440 0.000 1.019 47 T CA -0.679 61.258 62.100 -0.272 0.000 1.010 47 T CB 1.380 70.173 68.868 -0.125 0.000 1.022 47 T HN 0.134 nan 8.240 nan 0.000 0.466 48 H N 1.453 120.475 119.070 -0.080 0.000 2.569 48 H HA 0.499 5.055 4.556 0.000 0.000 0.357 48 H C -2.226 173.125 175.328 0.039 0.000 1.153 48 H CA -1.699 54.336 56.048 -0.021 0.000 1.193 48 H CB 1.158 30.898 29.762 -0.038 0.000 1.602 48 H HN 0.349 nan 8.280 nan 0.000 0.523 49 P HA 0.164 nan 4.420 nan 0.000 0.278 49 P C -0.235 177.140 177.300 0.126 0.000 1.238 49 P CA -0.594 62.650 63.100 0.239 0.000 0.794 49 P CB 1.618 33.397 31.700 0.132 0.000 0.955 50 R N 0.499 121.087 120.500 0.147 0.000 2.526 50 R HA 0.313 4.653 4.340 0.000 0.000 0.346 50 R C -0.367 175.993 176.300 0.101 0.000 0.926 50 R CA -0.444 55.686 56.100 0.050 0.000 1.147 50 R CB -0.197 30.031 30.300 -0.120 0.000 1.629 50 R HN 0.221 nan 8.270 nan 0.000 0.516 51 L N 2.081 123.404 121.223 0.167 0.000 2.255 51 L HA 0.323 4.663 4.340 0.000 0.000 0.289 51 L C -0.237 176.782 176.870 0.248 0.000 1.046 51 L CA 0.129 54.968 54.840 -0.002 0.000 0.816 51 L CB -0.253 41.621 42.059 -0.308 0.000 1.197 51 L HN 0.423 nan 8.230 nan 0.000 0.427 52 Y N 3.512 124.151 120.300 0.565 0.000 4.543 52 Y HA -0.342 4.208 4.550 0.000 0.000 0.303 52 Y C 0.200 176.502 175.900 0.670 0.000 1.054 52 Y CA 0.804 59.376 58.100 0.788 0.000 1.902 52 Y CB -1.408 37.540 38.460 0.812 0.000 1.052 52 Y HN 0.572 nan 8.280 nan 0.000 0.448 53 L N -2.617 118.933 121.223 0.546 0.000 2.653 53 L HA 0.837 5.177 4.340 0.000 0.000 0.257 53 L C -0.779 176.190 176.870 0.165 0.000 0.969 53 L CA -1.332 53.696 54.840 0.313 0.000 0.869 53 L CB 2.010 44.186 42.059 0.194 0.000 1.439 53 L HN -0.126 nan 8.230 nan 0.000 0.414 54 R N 0.659 121.217 120.500 0.098 0.000 2.875 54 R HA 0.304 4.644 4.340 0.000 0.000 0.251 54 R C 0.349 176.650 176.300 0.001 0.000 1.123 54 R CA -0.883 55.241 56.100 0.041 0.000 1.064 54 R CB 1.450 31.766 30.300 0.027 0.000 1.205 54 R HN 0.867 nan 8.270 nan 0.000 0.503 55 E N 1.411 121.603 120.200 -0.013 0.000 2.147 55 E HA -0.246 4.104 4.350 0.000 0.000 0.199 55 E C 1.631 178.214 176.600 -0.029 0.000 1.005 55 E CA 1.805 58.188 56.400 -0.030 0.000 0.810 55 E CB 0.059 29.745 29.700 -0.023 0.000 0.736 55 E HN 0.458 nan 8.360 nan 0.000 0.460 56 Q N -0.751 119.040 119.800 -0.016 0.000 2.118 56 Q HA -0.232 4.108 4.340 0.000 0.000 0.211 56 Q C 1.829 177.818 176.000 -0.017 0.000 0.998 56 Q CA 2.046 57.841 55.803 -0.014 0.000 0.872 56 Q CB -0.128 28.607 28.738 -0.006 0.000 0.925 56 Q HN 0.509 nan 8.270 nan 0.000 0.414 57 Q N -0.694 119.101 119.800 -0.008 0.000 2.360 57 Q HA 0.049 4.389 4.340 0.000 0.000 0.202 57 Q C 1.773 177.747 176.000 -0.043 0.000 0.915 57 Q CA 0.297 56.093 55.803 -0.010 0.000 0.943 57 Q CB 0.255 29.013 28.738 0.033 0.000 1.064 57 Q HN 0.210 nan 8.270 nan 0.000 0.511 58 V N 2.454 122.330 119.914 -0.064 0.000 2.343 58 V HA -0.151 3.969 4.120 0.000 0.000 0.247 58 V C -0.529 175.510 176.094 -0.091 0.000 1.051 58 V CA 1.778 64.017 62.300 -0.102 0.000 1.036 58 V CB -1.518 30.233 31.823 -0.121 0.000 0.654 58 V HN 0.275 nan 8.190 nan 0.000 0.451 59 P HA -0.088 nan 4.420 nan 0.000 0.226 59 P C 1.026 178.286 177.300 -0.066 0.000 1.153 59 P CA 1.243 64.302 63.100 -0.068 0.000 0.777 59 P CB 0.013 31.680 31.700 -0.055 0.000 0.794 60 D N -0.955 119.405 120.400 -0.066 0.000 2.323 60 D HA -0.013 4.627 4.640 0.000 0.000 0.209 60 D C 1.793 178.037 176.300 -0.093 0.000 0.973 60 D CA 0.326 54.283 54.000 -0.071 0.000 0.874 60 D CB -0.558 40.205 40.800 -0.061 0.000 0.930 60 D HN 0.014 nan 8.370 nan 0.000 0.521 61 L N -0.143 121.027 121.223 -0.088 0.000 2.191 61 L HA -0.148 4.192 4.340 0.000 0.000 0.212 61 L C 2.279 179.114 176.870 -0.058 0.000 1.103 61 L CA 0.836 55.630 54.840 -0.077 0.000 0.769 61 L CB -0.273 41.766 42.059 -0.034 0.000 0.908 61 L HN -0.024 nan 8.230 nan 0.000 0.438 62 K N 0.557 120.915 120.400 -0.069 0.000 2.026 62 K HA -0.145 4.175 4.320 0.000 0.000 0.208 62 K C 1.817 178.371 176.600 -0.077 0.000 1.048 62 K CA 1.447 57.691 56.287 -0.073 0.000 0.929 62 K CB -0.138 32.319 32.500 -0.072 0.000 0.713 62 K HN 0.214 nan 8.250 nan 0.000 0.439 63 N N 0.267 118.917 118.700 -0.082 0.000 2.309 63 N HA -0.079 4.661 4.740 0.000 0.000 0.182 63 N C 1.546 176.993 175.510 -0.105 0.000 1.018 63 N CA 0.851 53.852 53.050 -0.082 0.000 0.876 63 N CB -0.052 38.392 38.487 -0.073 0.000 0.972 63 N HN 0.225 nan 8.380 nan 0.000 0.434 64 R N -0.209 120.196 120.500 -0.158 0.000 2.119 64 R HA 0.100 4.440 4.340 0.000 0.000 0.222 64 R C 1.882 178.096 176.300 -0.144 0.000 1.088 64 R CA 0.582 56.518 56.100 -0.273 0.000 0.984 64 R CB -0.136 29.811 30.300 -0.589 0.000 0.884 64 R HN 0.110 nan 8.270 nan 0.000 0.447 65 M N 0.944 120.541 119.600 -0.006 0.000 2.229 65 M HA -0.087 4.393 4.480 0.000 0.000 0.264 65 M C 0.894 177.169 176.300 -0.041 0.000 1.063 65 M CA 1.813 57.134 55.300 0.036 0.000 1.114 65 M CB -0.040 32.489 32.600 -0.119 0.000 1.387 65 M HN 0.058 nan 8.290 nan 0.000 0.420 66 N N -0.404 118.263 118.700 -0.054 0.000 2.412 66 N HA -0.048 4.692 4.740 0.000 0.000 0.184 66 N C -0.266 175.227 175.510 -0.028 0.000 1.101 66 N CA -0.134 52.888 53.050 -0.047 0.000 0.881 66 N CB 0.089 38.545 38.487 -0.052 0.000 0.969 66 N HN 0.303 nan 8.380 nan 0.000 0.459 67 D N 1.612 121.995 120.400 -0.029 0.000 2.346 67 D HA 0.043 4.683 4.640 0.000 0.000 0.260 67 D C -1.563 174.742 176.300 0.009 0.000 1.252 67 D CA -2.025 51.961 54.000 -0.023 0.000 0.895 67 D CB 1.247 42.015 40.800 -0.053 0.000 1.097 67 D HN 0.010 nan 8.370 nan 0.000 0.489 68 P HA -0.258 nan 4.420 nan 0.000 0.216 68 P C 1.215 178.539 177.300 0.040 0.000 1.167 68 P CA 2.099 65.211 63.100 0.021 0.000 0.933 68 P CB 0.044 31.751 31.700 0.011 0.000 0.793 69 K N -0.499 119.923 120.400 0.035 0.000 2.439 69 K HA -0.003 4.317 4.320 0.000 0.000 0.197 69 K C 1.778 178.428 176.600 0.083 0.000 1.041 69 K CA 1.066 57.383 56.287 0.050 0.000 0.970 69 K CB -0.871 31.654 32.500 0.040 0.000 0.773 69 K HN 0.277 nan 8.250 nan 0.000 0.479 70 L N 0.501 121.778 121.223 0.090 0.000 2.529 70 L HA 0.111 4.451 4.340 0.000 0.000 0.223 70 L C 2.513 179.560 176.870 0.296 0.000 1.113 70 L CA 0.092 55.036 54.840 0.173 0.000 0.861 70 L CB -0.164 41.929 42.059 0.057 0.000 1.012 70 L HN 0.064 nan 8.230 nan 0.000 0.461 71 K N 0.974 121.494 120.400 0.200 0.000 2.026 71 K HA -0.199 4.121 4.320 0.000 0.000 0.208 71 K C 2.159 178.895 176.600 0.227 0.000 1.048 71 K CA 1.180 57.593 56.287 0.209 0.000 0.929 71 K CB 0.003 32.572 32.500 0.116 0.000 0.713 71 K HN 0.075 nan 8.250 nan 0.000 0.439 72 K N 1.237 121.726 120.400 0.148 0.000 2.103 72 K HA -0.110 4.210 4.320 0.000 0.000 0.207 72 K C 1.975 178.636 176.600 0.100 0.000 1.048 72 K CA 0.995 57.342 56.287 0.101 0.000 0.930 72 K CB -0.444 32.092 32.500 0.060 0.000 0.716 72 K HN 0.017 nan 8.250 nan 0.000 0.444 73 V N 0.219 120.221 119.914 0.147 0.000 2.427 73 V HA -0.185 3.935 4.120 0.000 0.000 0.248 73 V C 1.958 178.108 176.094 0.093 0.000 1.051 73 V CA 1.786 64.161 62.300 0.124 0.000 1.048 73 V CB -0.409 31.523 31.823 0.181 0.000 0.666 73 V HN 0.538 nan 8.190 nan 0.000 0.456 74 W N 0.820 122.100 121.300 -0.034 0.000 2.379 74 W HA -0.102 4.558 4.660 0.000 0.000 0.307 74 W C 2.411 178.852 176.519 -0.130 0.000 1.200 74 W CA 2.273 59.506 57.345 -0.187 0.000 1.297 74 W CB -0.548 28.766 29.460 -0.243 0.000 1.140 74 W HN 0.256 nan 8.180 nan 0.000 0.507 75 A N 0.246 123.094 122.820 0.047 0.000 1.986 75 A HA -0.273 4.047 4.320 0.000 0.000 0.220 75 A C 1.714 179.180 177.584 -0.197 0.000 1.171 75 A CA 2.316 54.297 52.037 -0.094 0.000 0.640 75 A CB -1.019 18.000 19.000 0.032 0.000 0.811 75 A HN 0.332 nan 8.150 nan 0.000 0.451 76 D N -0.264 120.048 120.400 -0.146 0.000 2.097 76 D HA -0.152 4.488 4.640 0.000 0.000 0.195 76 D C 2.065 178.225 176.300 -0.234 0.000 0.989 76 D CA 1.639 55.548 54.000 -0.152 0.000 0.827 76 D CB -0.380 40.364 40.800 -0.094 0.000 0.966 76 D HN 0.541 nan 8.370 nan 0.000 0.456 77 M N -0.062 119.347 119.600 -0.318 0.000 2.229 77 M HA -0.098 4.382 4.480 0.000 0.000 0.264 77 M C 1.953 177.993 176.300 -0.434 0.000 1.063 77 M CA 0.610 55.691 55.300 -0.365 0.000 1.114 77 M CB 0.005 32.349 32.600 -0.428 0.000 1.387 77 M HN -0.004 nan 8.290 nan 0.000 0.420 78 I N 1.135 121.356 120.570 -0.581 0.000 2.208 78 I HA -0.270 3.900 4.170 0.000 0.000 0.245 78 I C 2.182 178.110 176.117 -0.314 0.000 1.097 78 I CA 1.809 62.794 61.300 -0.526 0.000 1.363 78 I CB -1.061 36.581 38.000 -0.598 0.000 1.051 78 I HN 0.333 nan 8.210 nan 0.000 0.413 79 K N -0.007 120.236 120.400 -0.261 0.000 2.148 79 K HA -0.071 4.249 4.320 0.000 0.000 0.204 79 K C 2.001 178.475 176.600 -0.209 0.000 1.050 79 K CA 1.077 57.243 56.287 -0.202 0.000 0.942 79 K CB -0.155 32.242 32.500 -0.171 0.000 0.724 79 K HN 0.235 nan 8.250 nan 0.000 0.446 80 M N 0.978 120.443 119.600 -0.225 0.000 2.629 80 M HA -0.154 4.326 4.480 0.000 0.000 0.257 80 M C 1.697 177.876 176.300 -0.202 0.000 1.071 80 M CA 1.238 56.405 55.300 -0.222 0.000 1.077 80 M CB -0.027 32.451 32.600 -0.202 0.000 1.423 80 M HN 0.151 nan 8.290 nan 0.000 0.508 81 Q N 0.280 119.964 119.800 -0.193 0.000 2.123 81 Q HA -0.079 4.261 4.340 0.000 0.000 0.199 81 Q C 0.653 176.577 176.000 -0.128 0.000 0.966 81 Q CA 0.583 56.295 55.803 -0.152 0.000 0.845 81 Q CB -0.057 28.588 28.738 -0.154 0.000 0.907 81 Q HN 0.505 nan 8.270 nan 0.000 0.439 82 E N 2.223 122.338 120.200 -0.142 0.000 2.493 82 E HA -0.075 4.275 4.350 0.000 0.000 0.255 82 E C -0.763 175.759 176.600 -0.129 0.000 0.999 82 E CA -0.482 55.846 56.400 -0.121 0.000 0.934 82 E CB 0.462 30.087 29.700 -0.125 0.000 0.940 82 E HN 0.041 nan 8.360 nan 0.000 0.473 83 D N 3.579 123.940 120.400 -0.064 0.000 2.449 83 D HA -0.092 4.548 4.640 0.000 0.000 0.236 83 D C -0.324 175.975 176.300 -0.003 0.000 1.149 83 D CA 0.316 54.310 54.000 -0.011 0.000 0.878 83 D CB 0.332 41.157 40.800 0.042 0.000 1.198 83 D HN 0.411 nan 8.370 nan 0.000 0.446 84 W N 1.475 122.747 121.300 -0.047 0.000 2.480 84 W HA -0.099 4.561 4.660 0.000 0.000 0.337 84 W C 1.198 177.707 176.519 -0.017 0.000 1.201 84 W CA 0.267 57.592 57.345 -0.033 0.000 1.309 84 W CB 0.291 29.754 29.460 0.004 0.000 1.168 84 W HN -0.022 nan 8.180 nan 0.000 0.566 85 K N 6.008 126.579 120.400 0.286 0.000 2.383 85 K HA -0.010 4.310 4.320 0.000 0.000 0.286 85 K C -1.529 175.187 176.600 0.193 0.000 1.051 85 K CA -1.034 55.361 56.287 0.180 0.000 0.974 85 K CB 0.549 33.124 32.500 0.126 0.000 0.968 85 K HN 0.158 nan 8.250 nan 0.000 0.475 86 P HA -0.252 nan 4.420 nan 0.000 0.217 86 P C 0.710 178.025 177.300 0.025 0.000 1.151 86 P CA 1.311 64.443 63.100 0.054 0.000 0.849 86 P CB 0.204 31.921 31.700 0.027 0.000 0.787 87 A N -1.237 121.606 122.820 0.039 0.000 2.235 87 A HA -0.076 4.244 4.320 0.000 0.000 0.208 87 A C 1.321 178.925 177.584 0.033 0.000 1.172 87 A CA 1.163 53.212 52.037 0.020 0.000 0.786 87 A CB -0.672 18.339 19.000 0.020 0.000 0.804 87 A HN 0.089 nan 8.150 nan 0.000 0.479 88 D N -0.680 119.771 120.400 0.084 0.000 2.423 88 D HA 0.173 4.813 4.640 0.000 0.000 0.208 88 D C 0.314 176.563 176.300 -0.084 0.000 1.068 88 D CA -0.020 54.054 54.000 0.124 0.000 0.860 88 D CB 0.093 41.117 40.800 0.373 0.000 0.992 88 D HN 0.429 nan 8.370 nan 0.000 0.504 89 I N 4.083 124.528 120.570 -0.208 0.000 2.662 89 I HA -0.024 4.146 4.170 0.000 0.000 0.285 89 I C -0.953 174.918 176.117 -0.410 0.000 1.161 89 I CA -0.883 60.114 61.300 -0.504 0.000 1.415 89 I CB 0.793 38.555 38.000 -0.397 0.000 1.385 89 I HN -0.163 nan 8.210 nan 0.000 0.552 90 P HA -0.152 nan 4.420 nan 0.000 0.221 90 P C 0.401 177.521 177.300 -0.300 0.000 1.150 90 P CA 1.178 64.083 63.100 -0.326 0.000 0.800 90 P CB 0.236 31.752 31.700 -0.307 0.000 0.787 91 E N -2.753 117.211 120.200 -0.394 0.000 4.129 91 E HA -0.175 4.175 4.350 0.000 0.000 0.360 91 E C 0.475 176.920 176.600 -0.258 0.000 0.598 91 E CA 1.098 57.318 56.400 -0.301 0.000 1.308 91 E CB -2.490 27.090 29.700 -0.200 0.000 1.777 91 E HN 0.384 nan 8.360 nan 0.000 0.397 92 V N 2.094 121.858 119.914 -0.250 0.000 2.270 92 V HA 0.269 4.389 4.120 0.000 0.000 0.263 92 V C 0.151 176.086 176.094 -0.265 0.000 1.066 92 V CA -0.379 61.804 62.300 -0.195 0.000 0.857 92 V CB 0.122 31.873 31.823 -0.120 0.000 1.099 92 V HN 0.096 nan 8.190 nan 0.000 0.476 93 K N 4.937 125.150 120.400 -0.312 0.000 2.243 93 K HA 0.173 4.493 4.320 0.000 0.000 0.232 93 K C 0.165 176.771 176.600 0.011 0.000 1.237 93 K CA -0.143 55.907 56.287 -0.396 0.000 1.161 93 K CB -0.229 31.984 32.500 -0.478 0.000 1.505 93 K HN 0.744 nan 8.250 nan 0.000 0.271 94 D N 0.844 121.234 120.400 -0.016 0.000 2.370 94 D HA -0.159 4.481 4.640 0.000 0.000 0.235 94 D C 0.997 177.404 176.300 0.179 0.000 1.228 94 D CA -0.169 53.860 54.000 0.047 0.000 0.884 94 D CB 0.486 41.239 40.800 -0.079 0.000 1.201 94 D HN 0.329 nan 8.370 nan 0.000 0.456 95 F N 1.352 121.312 119.950 0.017 0.000 2.171 95 F HA -0.060 4.467 4.527 0.000 0.000 0.300 95 F C 1.989 177.696 175.800 -0.154 0.000 1.090 95 F CA 0.835 58.730 58.000 -0.175 0.000 1.293 95 F CB -0.281 38.435 39.000 -0.473 0.000 1.013 95 F HN 0.177 nan 8.300 nan 0.000 0.486 96 R N 0.323 120.256 120.500 -0.946 0.000 2.091 96 R HA -0.212 4.128 4.340 0.000 0.000 0.238 96 R C 2.212 178.476 176.300 -0.060 0.000 1.136 96 R CA 1.936 57.724 56.100 -0.520 0.000 0.959 96 R CB -1.530 28.491 30.300 -0.464 0.000 0.856 96 R HN 0.473 nan 8.270 nan 0.000 0.437 97 F N 1.230 121.095 119.950 -0.142 0.000 2.065 97 F HA -0.298 4.229 4.527 0.000 0.000 0.298 97 F C 1.971 177.761 175.800 -0.018 0.000 1.112 97 F CA 1.536 59.484 58.000 -0.087 0.000 1.212 97 F CB -0.487 38.322 39.000 -0.318 0.000 0.975 97 F HN -0.104 nan 8.300 nan 0.000 0.476 98 Y N -1.104 119.280 120.300 0.140 0.000 2.200 98 Y HA -0.199 4.351 4.550 0.000 0.000 0.290 98 Y C 2.321 178.299 175.900 0.130 0.000 1.137 98 Y CA 1.442 59.599 58.100 0.095 0.000 1.163 98 Y CB -0.854 37.714 38.460 0.180 0.000 0.988 98 Y HN 0.035 nan 8.280 nan 0.000 0.518 99 F N 0.026 119.976 119.950 -0.001 0.000 2.269 99 F HA -0.147 4.380 4.527 0.000 0.000 0.301 99 F C 1.541 177.346 175.800 0.008 0.000 1.082 99 F CA 0.740 58.630 58.000 -0.183 0.000 1.360 99 F CB -0.991 37.867 39.000 -0.236 0.000 1.041 99 F HN 0.059 nan 8.300 nan 0.000 0.512 100 N N 1.316 120.110 118.700 0.158 0.000 3.111 100 N HA -0.065 4.675 4.740 0.000 0.000 0.302 100 N C 0.100 175.564 175.510 -0.077 0.000 1.317 100 N CA 0.034 53.104 53.050 0.033 0.000 1.151 100 N CB -0.664 37.845 38.487 0.037 0.000 1.456 100 N HN 0.288 nan 8.380 nan 0.000 0.547 101 Q N 1.062 120.857 119.800 -0.009 0.000 2.310 101 Q HA -0.017 4.323 4.340 0.000 0.000 0.315 101 Q C -0.701 175.215 176.000 -0.139 0.000 1.081 101 Q CA 0.917 56.704 55.803 -0.027 0.000 0.981 101 Q CB 0.465 29.237 28.738 0.056 0.000 1.184 101 Q HN 0.274 nan 8.270 nan 0.000 0.389 102 K N 1.615 121.930 120.400 -0.142 0.000 2.527 102 K HA 0.584 4.904 4.320 0.000 0.000 0.260 102 K C -0.419 176.134 176.600 -0.078 0.000 0.937 102 K CA -0.153 56.003 56.287 -0.219 0.000 0.826 102 K CB 1.990 34.171 32.500 -0.532 0.000 1.359 102 K HN 0.940 nan 8.250 nan 0.000 0.434 103 G N 1.196 109.945 108.800 -0.086 0.000 2.527 103 G HA2 -0.287 3.673 3.960 0.000 0.000 0.227 103 G HA3 -0.287 3.673 3.960 0.000 0.000 0.227 103 G C 0.415 175.316 174.900 0.002 0.000 1.291 103 G CA -0.004 45.082 45.100 -0.024 0.000 0.904 103 G HN 0.544 nan 8.290 nan 0.000 0.577 104 L N 1.011 122.255 121.223 0.035 0.000 2.030 104 L HA -0.172 4.168 4.340 0.000 0.000 0.222 104 L C 3.440 180.333 176.870 0.038 0.000 1.082 104 L CA 4.537 59.400 54.840 0.039 0.000 0.785 104 L CB -1.072 41.026 42.059 0.065 0.000 0.895 104 L HN 1.439 nan 8.230 nan 0.000 0.439 105 T N -4.618 109.980 114.554 0.075 0.000 2.788 105 T HA -0.166 4.184 4.350 0.000 0.000 0.268 105 T C 1.842 176.550 174.700 0.012 0.000 1.044 105 T CA 1.501 63.638 62.100 0.062 0.000 1.139 105 T CB -1.113 67.841 68.868 0.145 0.000 0.867 105 T HN 0.186 nan 8.240 nan 0.000 0.454 106 V N 1.607 121.516 119.914 -0.008 0.000 2.343 106 V HA -0.117 4.003 4.120 0.000 0.000 0.247 106 V C 3.061 179.117 176.094 -0.063 0.000 1.051 106 V CA 1.838 64.104 62.300 -0.056 0.000 1.036 106 V CB -0.691 31.074 31.823 -0.096 0.000 0.654 106 V HN 0.442 nan 8.190 nan 0.000 0.451 107 R N 0.077 120.548 120.500 -0.048 0.000 2.083 107 R HA -0.161 4.179 4.340 0.000 0.000 0.237 107 R C 2.326 178.618 176.300 -0.013 0.000 1.137 107 R CA 1.918 57.994 56.100 -0.040 0.000 0.951 107 R CB -0.607 29.675 30.300 -0.029 0.000 0.851 107 R HN 0.619 nan 8.270 nan 0.000 0.434 108 V N -1.395 118.516 119.914 -0.005 0.000 2.548 108 V HA -0.140 3.980 4.120 0.000 0.000 0.249 108 V C 1.632 177.735 176.094 0.014 0.000 1.055 108 V CA 1.576 63.881 62.300 0.007 0.000 1.065 108 V CB -0.408 31.417 31.823 0.003 0.000 0.681 108 V HN 0.231 nan 8.190 nan 0.000 0.462 109 E N 0.737 120.930 120.200 -0.011 0.000 2.051 109 E HA -0.098 4.252 4.350 0.000 0.000 0.192 109 E C 2.217 178.862 176.600 0.075 0.000 0.991 109 E CA 1.819 58.207 56.400 -0.019 0.000 0.799 109 E CB -0.271 29.386 29.700 -0.073 0.000 0.748 109 E HN 0.616 nan 8.360 nan 0.000 0.449 110 L N 0.106 121.353 121.223 0.041 0.000 2.217 110 L HA -0.116 4.224 4.340 0.000 0.000 0.211 110 L C 2.447 179.402 176.870 0.141 0.000 1.107 110 L CA 0.623 55.511 54.840 0.080 0.000 0.783 110 L CB -0.275 41.770 42.059 -0.023 0.000 0.919 110 L HN 0.232 nan 8.230 nan 0.000 0.442 111 M N -0.328 119.337 119.600 0.109 0.000 2.099 111 M HA -0.167 4.313 4.480 0.000 0.000 0.262 111 M C 2.571 178.988 176.300 0.195 0.000 1.067 111 M CA 1.959 57.334 55.300 0.124 0.000 1.124 111 M CB -0.439 32.206 32.600 0.074 0.000 1.353 111 M HN 0.302 nan 8.290 nan 0.000 0.410 112 A N 0.218 123.175 122.820 0.228 0.000 1.933 112 A HA -0.161 4.159 4.320 0.000 0.000 0.218 112 A C 2.093 180.003 177.584 0.543 0.000 1.175 112 A CA 1.352 53.615 52.037 0.378 0.000 0.628 112 A CB -0.850 18.351 19.000 0.335 0.000 0.814 112 A HN 0.456 nan 8.150 nan 0.000 0.444 113 L N 0.493 122.023 121.223 0.512 0.000 2.042 113 L HA -0.187 4.153 4.340 0.000 0.000 0.210 113 L C 1.960 178.926 176.870 0.160 0.000 1.076 113 L CA 2.602 57.628 54.840 0.310 0.000 0.749 113 L CB -0.762 41.473 42.059 0.294 0.000 0.893 113 L HN 0.517 nan 8.230 nan 0.000 0.432 114 N N -2.064 116.751 118.700 0.192 0.000 2.223 114 N HA -0.296 4.444 4.740 0.000 0.000 0.185 114 N C 1.877 177.473 175.510 0.144 0.000 1.016 114 N CA 1.313 54.447 53.050 0.139 0.000 0.863 114 N CB -0.317 38.261 38.487 0.152 0.000 0.983 114 N HN 0.546 nan 8.380 nan 0.000 0.429 115 Y N 0.636 120.980 120.300 0.073 0.000 2.314 115 Y HA 0.069 4.619 4.550 0.000 0.000 0.293 115 Y C 1.630 177.543 175.900 0.022 0.000 1.129 115 Y CA 1.069 59.202 58.100 0.055 0.000 1.201 115 Y CB -0.121 38.389 38.460 0.084 0.000 0.999 115 Y HN 0.082 nan 8.280 nan 0.000 0.541 116 L N -0.595 120.606 121.223 -0.037 0.000 2.093 116 L HA -0.232 4.108 4.340 0.000 0.000 0.208 116 L C 2.185 178.937 176.870 -0.196 0.000 1.085 116 L CA 1.433 56.154 54.840 -0.199 0.000 0.755 116 L CB -0.451 41.442 42.059 -0.277 0.000 0.904 116 L HN 0.300 nan 8.230 nan 0.000 0.435 117 M N -1.191 118.336 119.600 -0.122 0.000 2.541 117 M HA -0.029 4.451 4.480 0.000 0.000 0.252 117 M C 1.630 177.870 176.300 -0.099 0.000 1.125 117 M CA 1.315 56.554 55.300 -0.102 0.000 1.091 117 M CB -0.032 32.527 32.600 -0.069 0.000 1.420 117 M HN 0.384 nan 8.290 nan 0.000 0.486 118 T N -5.485 109.001 114.554 -0.113 0.000 2.993 118 T HA 0.185 4.535 4.350 0.000 0.000 0.260 118 T C 0.853 175.473 174.700 -0.135 0.000 0.939 118 T CA -0.322 61.726 62.100 -0.087 0.000 0.886 118 T CB 0.354 69.209 68.868 -0.022 0.000 1.209 118 T HN 0.004 nan 8.240 nan 0.000 0.518 119 K N 1.785 122.005 120.400 -0.299 0.000 3.048 119 K HA -0.164 4.156 4.320 0.000 0.000 0.274 119 K C -0.397 176.137 176.600 -0.110 0.000 1.098 119 K CA 1.023 57.050 56.287 -0.435 0.000 0.807 119 K CB -1.860 30.475 32.500 -0.275 0.000 1.217 119 K HN 0.700 nan 8.250 nan 0.000 0.477 120 D N 0.705 121.138 120.400 0.055 0.000 2.344 120 D HA 0.135 4.775 4.640 0.000 0.000 0.253 120 D C -1.383 175.099 176.300 0.305 0.000 1.255 120 D CA -2.256 51.838 54.000 0.156 0.000 0.894 120 D CB 1.050 41.916 40.800 0.111 0.000 1.067 120 D HN -0.048 nan 8.370 nan 0.000 0.492 121 P HA -0.201 nan 4.420 nan 0.000 0.216 121 P C 0.946 178.277 177.300 0.053 0.000 1.154 121 P CA 1.591 64.790 63.100 0.165 0.000 0.865 121 P CB 0.287 32.043 31.700 0.094 0.000 0.789 122 K N -0.771 119.663 120.400 0.056 0.000 2.103 122 K HA -0.103 4.217 4.320 0.000 0.000 0.207 122 K C 1.888 178.497 176.600 0.015 0.000 1.048 122 K CA 1.280 57.581 56.287 0.024 0.000 0.930 122 K CB -1.268 31.250 32.500 0.030 0.000 0.716 122 K HN 0.056 nan 8.250 nan 0.000 0.444 123 V N -0.010 119.940 119.914 0.061 0.000 2.453 123 V HA -0.094 4.026 4.120 0.000 0.000 0.247 123 V C 2.239 178.310 176.094 -0.038 0.000 1.048 123 V CA 2.026 64.365 62.300 0.065 0.000 1.049 123 V CB -0.946 30.971 31.823 0.157 0.000 0.672 123 V HN 0.470 nan 8.190 nan 0.000 0.457 124 G N -0.047 108.604 108.800 -0.248 0.000 2.403 124 G HA2 -0.156 3.804 3.960 0.000 0.000 0.216 124 G HA3 -0.156 3.804 3.960 0.000 0.000 0.216 124 G C 1.726 176.415 174.900 -0.351 0.000 1.154 124 G CA 0.179 44.875 45.100 -0.672 0.000 0.784 124 G HN 0.284 nan 8.290 nan 0.000 0.538 125 R N 0.462 120.822 120.500 -0.233 0.000 2.092 125 R HA -0.015 4.325 4.340 0.000 0.000 0.231 125 R C 2.266 178.515 176.300 -0.084 0.000 1.119 125 R CA 1.239 57.255 56.100 -0.140 0.000 0.970 125 R CB -0.601 29.644 30.300 -0.092 0.000 0.864 125 R HN 0.597 nan 8.270 nan 0.000 0.440 126 E N 0.428 120.589 120.200 -0.064 0.000 2.072 126 E HA -0.088 4.262 4.350 0.000 0.000 0.190 126 E C 1.871 178.458 176.600 -0.022 0.000 0.982 126 E CA 0.974 57.355 56.400 -0.030 0.000 0.803 126 E CB 0.013 29.707 29.700 -0.011 0.000 0.755 126 E HN 0.265 nan 8.360 nan 0.000 0.453 127 A N 1.124 123.926 122.820 -0.030 0.000 1.865 127 A HA -0.203 4.117 4.320 0.000 0.000 0.217 127 A C 2.178 179.765 177.584 0.006 0.000 1.191 127 A CA 1.584 53.616 52.037 -0.008 0.000 0.623 127 A CB -0.748 18.249 19.000 -0.006 0.000 0.826 127 A HN 0.347 nan 8.150 nan 0.000 0.444 128 I N 0.155 120.717 120.570 -0.014 0.000 2.179 128 I HA -0.248 3.922 4.170 0.000 0.000 0.242 128 I C 2.799 178.948 176.117 0.053 0.000 1.088 128 I CA 1.942 63.274 61.300 0.054 0.000 1.357 128 I CB -0.514 37.482 38.000 -0.007 0.000 1.051 128 I HN 0.564 nan 8.210 nan 0.000 0.409 129 T N -2.950 111.605 114.554 0.001 0.000 3.023 129 T HA -0.013 4.337 4.350 0.000 0.000 0.266 129 T C 1.820 176.508 174.700 -0.019 0.000 1.093 129 T CA 1.099 63.191 62.100 -0.014 0.000 1.129 129 T CB -0.213 68.642 68.868 -0.022 0.000 0.899 129 T HN 0.179 nan 8.240 nan 0.000 0.491 130 S N 0.986 116.680 115.700 -0.009 0.000 2.436 130 S HA 0.192 4.662 4.470 0.000 0.000 0.228 130 S C 1.662 176.255 174.600 -0.012 0.000 1.014 130 S CA 0.318 58.513 58.200 -0.008 0.000 0.950 130 S CB -0.234 62.966 63.200 -0.001 0.000 0.784 130 S HN 0.394 nan 8.310 nan 0.000 0.504 131 I N 0.749 121.310 120.570 -0.016 0.000 3.645 131 I HA 0.312 4.482 4.170 0.000 0.000 0.300 131 I C 1.422 177.459 176.117 -0.134 0.000 1.260 131 I CA 0.143 61.417 61.300 -0.043 0.000 1.365 131 I CB -0.035 37.961 38.000 -0.007 0.000 1.077 131 I HN 0.213 nan 8.210 nan 0.000 0.439 132 I N -0.214 120.250 120.570 -0.177 0.000 2.480 132 I HA -0.169 4.001 4.170 0.000 0.000 0.251 132 I C 1.613 177.578 176.117 -0.253 0.000 1.124 132 I CA 1.016 62.092 61.300 -0.374 0.000 1.444 132 I CB -0.121 37.586 38.000 -0.489 0.000 1.098 132 I HN 0.166 nan 8.210 nan 0.000 0.428 133 D N -0.100 120.218 120.400 -0.138 0.000 2.144 133 D HA -0.202 4.438 4.640 0.000 0.000 0.200 133 D C 1.925 178.193 176.300 -0.054 0.000 0.978 133 D CA 1.671 55.613 54.000 -0.096 0.000 0.833 133 D CB -0.165 40.597 40.800 -0.062 0.000 0.961 133 D HN 0.300 nan 8.370 nan 0.000 0.470 134 T N 0.774 115.325 114.554 -0.006 0.000 2.904 134 T HA -0.096 4.254 4.350 0.000 0.000 0.267 134 T C 1.954 176.798 174.700 0.240 0.000 1.059 134 T CA 0.244 62.407 62.100 0.106 0.000 1.137 134 T CB -0.151 68.816 68.868 0.165 0.000 0.879 134 T HN -0.049 nan 8.240 nan 0.000 0.467 135 L N 1.002 122.277 121.223 0.087 0.000 2.265 135 L HA 0.078 4.418 4.340 0.000 0.000 0.215 135 L C 2.163 179.035 176.870 0.002 0.000 1.117 135 L CA 1.721 56.583 54.840 0.035 0.000 0.782 135 L CB -0.285 41.543 42.059 -0.385 0.000 0.914 135 L HN 0.338 nan 8.230 nan 0.000 0.441 136 E N -2.216 117.937 120.200 -0.078 0.000 2.442 136 E HA -0.007 4.343 4.350 0.000 0.000 0.195 136 E C 1.068 177.649 176.600 -0.032 0.000 1.030 136 E CA 0.926 57.271 56.400 -0.093 0.000 0.869 136 E CB 0.330 29.951 29.700 -0.131 0.000 0.857 136 E HN 0.416 nan 8.360 nan 0.000 0.505 137 T N -0.271 114.282 114.554 -0.002 0.000 2.993 137 T HA 0.216 4.566 4.350 0.000 0.000 0.260 137 T C 0.407 175.070 174.700 -0.062 0.000 0.939 137 T CA 0.034 62.116 62.100 -0.030 0.000 0.886 137 T CB 0.709 69.554 68.868 -0.038 0.000 1.209 137 T HN 0.114 nan 8.240 nan 0.000 0.518 138 A N 1.859 124.638 122.820 -0.067 0.000 2.561 138 A HA 0.459 4.779 4.320 0.000 0.000 0.234 138 A C 0.390 177.794 177.584 -0.299 0.000 1.055 138 A CA 0.646 52.506 52.037 -0.295 0.000 0.756 138 A CB -0.024 18.628 19.000 -0.579 0.000 0.986 138 A HN 0.240 nan 8.150 nan 0.000 0.505 139 T N 1.321 115.578 114.554 -0.494 0.000 2.908 139 T HA 0.645 4.995 4.350 0.000 0.000 0.290 139 T C -1.148 173.153 174.700 -0.665 0.000 1.034 139 T CA 0.040 61.933 62.100 -0.346 0.000 1.010 139 T CB 0.582 69.326 68.868 -0.206 0.000 1.068 139 T HN 0.357 nan 8.240 nan 0.000 0.481 140 F N 2.290 122.177 119.950 -0.106 0.000 2.610 140 F HA 0.385 4.912 4.527 0.000 0.000 0.355 140 F C 0.464 176.219 175.800 -0.075 0.000 1.140 140 F CA -1.110 56.829 58.000 -0.101 0.000 1.037 140 F CB 1.247 40.154 39.000 -0.154 0.000 1.287 140 F HN 0.117 nan 8.300 nan 0.000 0.457 141 K N 4.507 124.929 120.400 0.036 0.000 2.436 141 K HA 0.145 4.465 4.320 0.000 0.000 0.282 141 K C -2.426 174.195 176.600 0.033 0.000 1.044 141 K CA -1.200 55.091 56.287 0.007 0.000 1.028 141 K CB 0.655 33.131 32.500 -0.040 0.000 0.919 141 K HN 0.235 nan 8.250 nan 0.000 0.474 142 P HA -0.006 nan 4.420 nan 0.000 0.262 142 P C -0.951 176.355 177.300 0.011 0.000 1.182 142 P CA 0.219 63.329 63.100 0.016 0.000 0.761 142 P CB 0.771 32.477 31.700 0.010 0.000 0.795 143 A N 2.760 125.588 122.820 0.013 0.000 2.483 143 A HA 0.674 4.994 4.320 0.000 0.000 0.306 143 A C -0.053 177.548 177.584 0.028 0.000 1.137 143 A CA -0.276 51.773 52.037 0.021 0.000 0.626 143 A CB 0.158 19.173 19.000 0.025 0.000 1.352 143 A HN 0.497 nan 8.150 nan 0.000 0.508 144 G N 1.103 109.938 108.800 0.059 0.000 2.239 144 G HA2 0.391 4.351 3.960 0.000 0.000 0.278 144 G HA3 0.391 4.351 3.960 0.000 0.000 0.278 144 G C -0.265 174.690 174.900 0.093 0.000 1.071 144 G CA 1.180 46.337 45.100 0.096 0.000 1.198 144 G HN 0.829 nan 8.290 nan 0.000 0.410 145 D N 0.861 121.238 120.400 -0.039 0.000 2.699 145 D HA -0.196 4.444 4.640 0.000 0.000 0.239 145 D C 1.363 177.572 176.300 -0.153 0.000 1.136 145 D CA 0.532 54.419 54.000 -0.188 0.000 0.668 145 D CB -0.671 39.932 40.800 -0.328 0.000 1.060 145 D HN 0.450 nan 8.370 nan 0.000 0.429 146 I N 0.394 120.892 120.570 -0.120 0.000 2.335 146 I HA -0.218 3.952 4.170 0.000 0.000 0.251 146 I C 2.124 178.073 176.117 -0.281 0.000 1.129 146 I CA 1.662 62.867 61.300 -0.159 0.000 1.402 146 I CB -0.197 37.746 38.000 -0.094 0.000 1.069 146 I HN 0.079 nan 8.210 nan 0.000 0.424 147 S N 0.525 116.086 115.700 -0.232 0.000 2.407 147 S HA -0.260 4.210 4.470 0.000 0.000 0.235 147 S C 2.034 176.502 174.600 -0.220 0.000 1.036 147 S CA 1.435 59.506 58.200 -0.215 0.000 1.013 147 S CB -0.404 62.714 63.200 -0.137 0.000 0.820 147 S HN 0.524 nan 8.310 nan 0.000 0.476 148 R N 0.196 120.546 120.500 -0.250 0.000 2.092 148 R HA -0.038 4.302 4.340 0.000 0.000 0.231 148 R C 2.689 178.846 176.300 -0.239 0.000 1.119 148 R CA 1.244 57.189 56.100 -0.258 0.000 0.970 148 R CB -0.707 29.254 30.300 -0.566 0.000 0.864 148 R HN 0.477 nan 8.270 nan 0.000 0.440 149 G N 1.350 109.903 108.800 -0.413 0.000 2.394 149 G HA2 -0.176 3.784 3.960 0.000 0.000 0.214 149 G HA3 -0.176 3.784 3.960 0.000 0.000 0.214 149 G C 1.496 176.101 174.900 -0.493 0.000 1.176 149 G CA 0.300 45.072 45.100 -0.546 0.000 0.786 149 G HN 0.110 nan 8.290 nan 0.000 0.533 150 I N 1.435 121.506 120.570 -0.831 0.000 2.151 150 I HA -0.171 3.999 4.170 0.000 0.000 0.243 150 I C 3.038 179.004 176.117 -0.251 0.000 1.080 150 I CA 1.254 61.992 61.300 -0.937 0.000 1.339 150 I CB -0.421 37.044 38.000 -0.892 0.000 1.039 150 I HN 0.255 nan 8.210 nan 0.000 0.409 151 G N 0.719 109.428 108.800 -0.150 0.000 2.408 151 G HA2 -0.224 3.736 3.960 0.000 0.000 0.217 151 G HA3 -0.224 3.736 3.960 0.000 0.000 0.217 151 G C 1.609 176.560 174.900 0.085 0.000 1.150 151 G CA 0.346 45.449 45.100 0.006 0.000 0.776 151 G HN 0.238 nan 8.290 nan 0.000 0.542 152 L N -0.132 121.144 121.223 0.088 0.000 2.083 152 L HA 0.102 4.442 4.340 0.000 0.000 0.209 152 L C 2.358 179.370 176.870 0.237 0.000 1.083 152 L CA 1.374 56.307 54.840 0.155 0.000 0.752 152 L CB -0.878 41.287 42.059 0.177 0.000 0.899 152 L HN 0.206 nan 8.230 nan 0.000 0.433 153 F N 0.035 120.051 119.950 0.110 0.000 2.075 153 F HA -0.262 4.265 4.527 0.000 0.000 0.297 153 F C 2.365 178.277 175.800 0.187 0.000 1.113 153 F CA 2.081 60.191 58.000 0.183 0.000 1.218 153 F CB -0.324 38.840 39.000 0.272 0.000 0.984 153 F HN 0.091 nan 8.300 nan 0.000 0.472 154 M N -0.807 118.938 119.600 0.242 0.000 2.144 154 M HA -0.243 4.237 4.480 0.000 0.000 0.260 154 M C 2.027 178.456 176.300 0.215 0.000 1.067 154 M CA 1.575 57.040 55.300 0.275 0.000 1.095 154 M CB -0.764 31.988 32.600 0.253 0.000 1.365 154 M HN 0.045 nan 8.290 nan 0.000 0.406 155 V N 0.037 120.045 119.914 0.157 0.000 2.295 155 V HA -0.258 3.862 4.120 0.000 0.000 0.246 155 V C 2.338 178.491 176.094 0.098 0.000 1.049 155 V CA 2.341 64.736 62.300 0.158 0.000 1.024 155 V CB -1.045 30.915 31.823 0.228 0.000 0.648 155 V HN 0.505 nan 8.190 nan 0.000 0.447 156 T N 0.463 115.053 114.554 0.059 0.000 2.592 156 T HA -0.259 4.091 4.350 0.000 0.000 0.267 156 T C 1.891 176.585 174.700 -0.010 0.000 1.060 156 T CA 2.008 64.096 62.100 -0.019 0.000 1.167 156 T CB -0.978 67.853 68.868 -0.062 0.000 0.863 156 T HN 0.644 nan 8.240 nan 0.000 0.431 157 G N 1.208 110.031 108.800 0.039 0.000 2.529 157 G HA2 -0.163 3.797 3.960 0.000 0.000 0.219 157 G HA3 -0.163 3.797 3.960 0.000 0.000 0.219 157 G C 1.865 177.002 174.900 0.396 0.000 1.177 157 G CA 1.320 46.586 45.100 0.276 0.000 0.773 157 G HN 0.645 nan 8.290 nan 0.000 0.573 158 A N 0.635 123.614 122.820 0.264 0.000 1.917 158 A HA -0.041 4.279 4.320 0.000 0.000 0.219 158 A C 2.451 179.963 177.584 -0.121 0.000 1.182 158 A CA 1.583 53.615 52.037 -0.009 0.000 0.633 158 A CB -0.412 18.497 19.000 -0.151 0.000 0.819 158 A HN 0.418 nan 8.150 nan 0.000 0.448 159 I N -0.597 119.832 120.570 -0.234 0.000 2.179 159 I HA -0.228 3.942 4.170 0.000 0.000 0.242 159 I C 2.354 178.170 176.117 -0.502 0.000 1.088 159 I CA 1.286 62.201 61.300 -0.641 0.000 1.357 159 I CB -0.281 37.313 38.000 -0.677 0.000 1.051 159 I HN 0.177 nan 8.210 nan 0.000 0.409 160 V N -0.164 119.637 119.914 -0.188 0.000 2.307 160 V HA -0.319 3.801 4.120 0.000 0.000 0.245 160 V C 2.239 178.280 176.094 -0.088 0.000 1.045 160 V CA 1.832 64.090 62.300 -0.069 0.000 1.024 160 V CB -0.817 31.013 31.823 0.012 0.000 0.651 160 V HN 0.371 nan 8.190 nan 0.000 0.449 161 Y N 1.233 121.394 120.300 -0.232 0.000 2.114 161 Y HA -0.338 4.212 4.550 0.000 0.000 0.282 161 Y C 2.452 178.285 175.900 -0.111 0.000 1.165 161 Y CA 2.461 60.369 58.100 -0.320 0.000 1.148 161 Y CB -0.151 38.159 38.460 -0.249 0.000 0.972 161 Y HN 0.420 nan 8.280 nan 0.000 0.504 162 D N -1.270 119.228 120.400 0.164 0.000 2.091 162 D HA -0.188 4.452 4.640 0.000 0.000 0.199 162 D C 1.750 178.272 176.300 0.370 0.000 0.980 162 D CA 1.691 55.840 54.000 0.250 0.000 0.831 162 D CB -0.425 40.518 40.800 0.238 0.000 0.987 162 D HN 0.324 nan 8.370 nan 0.000 0.460 163 W N 0.297 121.662 121.300 0.107 0.000 2.436 163 W HA 0.079 4.740 4.660 0.000 0.000 0.284 163 W C 1.611 178.252 176.519 0.203 0.000 1.225 163 W CA -0.035 57.402 57.345 0.154 0.000 1.271 163 W CB -1.159 28.391 29.460 0.150 0.000 1.114 163 W HN 0.131 nan 8.180 nan 0.000 0.559 164 C N -0.448 119.009 119.300 0.262 0.000 2.492 164 C HA 0.159 4.619 4.460 0.000 0.000 0.317 164 C C 1.983 176.920 174.990 -0.089 0.000 1.347 164 C CA -1.053 57.971 59.018 0.011 0.000 1.759 164 C CB -2.463 25.137 27.740 -0.233 0.000 2.127 164 C HN 0.254 nan 8.230 nan 0.000 0.579 165 Y N 3.869 124.089 120.300 -0.132 0.000 2.070 165 Y HA -0.268 4.282 4.550 0.000 0.000 0.280 165 Y C 2.182 177.950 175.900 -0.220 0.000 1.148 165 Y CA 2.631 60.522 58.100 -0.349 0.000 1.125 165 Y CB -0.156 37.948 38.460 -0.593 0.000 0.975 165 Y HN 0.492 nan 8.280 nan 0.000 0.492 166 D N -0.866 119.559 120.400 0.043 0.000 2.357 166 D HA -0.196 4.444 4.640 0.000 0.000 0.216 166 D C 1.291 177.529 176.300 -0.102 0.000 0.973 166 D CA 1.250 55.253 54.000 0.005 0.000 0.912 166 D CB -0.512 40.382 40.800 0.157 0.000 0.900 166 D HN 0.459 nan 8.370 nan 0.000 0.501 167 Q N -0.440 119.255 119.800 -0.176 0.000 2.319 167 Q HA 0.247 4.587 4.340 0.000 0.000 0.209 167 Q C 0.713 176.555 176.000 -0.263 0.000 0.884 167 Q CA -0.243 55.437 55.803 -0.205 0.000 0.938 167 Q CB 0.905 29.471 28.738 -0.286 0.000 1.098 167 Q HN 0.392 nan 8.270 nan 0.000 0.517 168 L N 2.831 123.818 121.223 -0.394 0.000 2.485 168 L HA -0.002 4.338 4.340 0.000 0.000 0.275 168 L C 0.692 177.387 176.870 -0.292 0.000 1.207 168 L CA 0.386 54.983 54.840 -0.405 0.000 0.855 168 L CB 0.351 41.998 42.059 -0.687 0.000 1.114 168 L HN 0.009 nan 8.230 nan 0.000 0.485 169 K N 3.021 123.313 120.400 -0.180 0.000 2.123 169 K HA 0.458 4.778 4.320 0.000 0.000 0.248 169 K C -2.285 174.260 176.600 -0.092 0.000 0.969 169 K CA -1.842 54.372 56.287 -0.122 0.000 0.882 169 K CB 1.206 33.661 32.500 -0.076 0.000 1.080 169 K HN 0.108 nan 8.250 nan 0.000 0.441 170 P HA -0.190 nan 4.420 nan 0.000 0.215 170 P C 0.424 177.727 177.300 0.006 0.000 1.157 170 P CA 1.473 64.557 63.100 -0.027 0.000 0.868 170 P CB 0.103 31.797 31.700 -0.010 0.000 0.788 171 E N 0.144 120.346 120.200 0.003 0.000 2.153 171 E HA -0.179 4.171 4.350 0.000 0.000 0.194 171 E C 1.946 178.566 176.600 0.034 0.000 0.988 171 E CA 1.101 57.510 56.400 0.014 0.000 0.811 171 E CB -0.789 28.912 29.700 0.002 0.000 0.746 171 E HN 0.468 nan 8.360 nan 0.000 0.466 172 E N 0.823 121.046 120.200 0.039 0.000 2.106 172 E HA -0.127 4.223 4.350 0.000 0.000 0.192 172 E C 1.828 178.575 176.600 0.245 0.000 0.984 172 E CA 0.822 57.289 56.400 0.113 0.000 0.806 172 E CB -0.040 29.719 29.700 0.098 0.000 0.750 172 E HN 0.180 nan 8.360 nan 0.000 0.458 173 K N 0.252 120.735 120.400 0.138 0.000 2.032 173 K HA -0.136 4.184 4.320 0.000 0.000 0.209 173 K C 2.289 179.060 176.600 0.284 0.000 1.048 173 K CA 1.821 58.243 56.287 0.226 0.000 0.927 173 K CB -0.222 32.348 32.500 0.118 0.000 0.712 173 K HN 0.049 nan 8.250 nan 0.000 0.441 174 T N 0.738 115.386 114.554 0.157 0.000 2.746 174 T HA -0.114 4.236 4.350 0.000 0.000 0.267 174 T C 1.822 176.564 174.700 0.071 0.000 1.039 174 T CA 1.172 63.332 62.100 0.099 0.000 1.142 174 T CB -0.124 68.777 68.868 0.055 0.000 0.866 174 T HN 0.229 nan 8.240 nan 0.000 0.444 175 R N -0.071 120.470 120.500 0.067 0.000 2.070 175 R HA -0.029 4.311 4.340 0.000 0.000 0.233 175 R C 2.224 178.487 176.300 -0.061 0.000 1.137 175 R CA 1.492 57.578 56.100 -0.023 0.000 0.945 175 R CB -0.560 29.698 30.300 -0.069 0.000 0.845 175 R HN 0.335 nan 8.270 nan 0.000 0.430 176 F N 0.337 120.268 119.950 -0.032 0.000 2.046 176 F HA -0.276 4.251 4.527 0.000 0.000 0.297 176 F C 2.501 178.225 175.800 -0.126 0.000 1.123 176 F CA 1.485 59.428 58.000 -0.095 0.000 1.199 176 F CB -0.627 38.523 39.000 0.251 0.000 0.972 176 F HN -0.206 nan 8.300 nan 0.000 0.474 177 V N -0.092 119.964 119.914 0.236 0.000 2.380 177 V HA -0.371 3.749 4.120 0.000 0.000 0.251 177 V C 2.276 178.284 176.094 -0.144 0.000 1.063 177 V CA 2.067 64.388 62.300 0.034 0.000 1.055 177 V CB -0.609 31.164 31.823 -0.083 0.000 0.657 177 V HN 0.283 nan 8.190 nan 0.000 0.455 178 K N -0.489 119.836 120.400 -0.124 0.000 2.097 178 K HA -0.107 4.213 4.320 0.000 0.000 0.205 178 K C 2.281 178.798 176.600 -0.138 0.000 1.050 178 K CA 1.345 57.545 56.287 -0.144 0.000 0.938 178 K CB -0.371 32.069 32.500 -0.100 0.000 0.718 178 K HN 0.494 nan 8.250 nan 0.000 0.442 179 A N 0.596 123.303 122.820 -0.188 0.000 1.858 179 A HA -0.151 4.169 4.320 0.000 0.000 0.216 179 A C 1.971 179.451 177.584 -0.173 0.000 1.190 179 A CA 1.342 53.240 52.037 -0.232 0.000 0.617 179 A CB -0.923 17.828 19.000 -0.416 0.000 0.827 179 A HN 0.285 nan 8.150 nan 0.000 0.443 180 F N -0.220 119.688 119.950 -0.069 0.000 2.161 180 F HA -0.191 4.336 4.527 0.000 0.000 0.300 180 F C 2.407 178.100 175.800 -0.179 0.000 1.089 180 F CA 1.121 59.064 58.000 -0.096 0.000 1.282 180 F CB -0.361 38.572 39.000 -0.111 0.000 1.010 180 F HN 0.045 nan 8.300 nan 0.000 0.485 181 V N 0.203 120.076 119.914 -0.069 0.000 2.261 181 V HA -0.307 3.813 4.120 0.000 0.000 0.246 181 V C 2.474 178.518 176.094 -0.083 0.000 1.047 181 V CA 2.046 64.234 62.300 -0.188 0.000 1.015 181 V CB -0.641 31.072 31.823 -0.183 0.000 0.642 181 V HN 0.262 nan 8.190 nan 0.000 0.446 182 R N -0.245 120.233 120.500 -0.038 0.000 2.091 182 R HA -0.175 4.165 4.340 0.000 0.000 0.238 182 R C 2.239 178.557 176.300 0.029 0.000 1.136 182 R CA 1.825 57.927 56.100 0.003 0.000 0.959 182 R CB -0.300 30.000 30.300 -0.001 0.000 0.856 182 R HN 0.468 nan 8.270 nan 0.000 0.437 183 L N -0.173 121.077 121.223 0.046 0.000 2.109 183 L HA -0.033 4.307 4.340 0.000 0.000 0.207 183 L C 2.685 179.572 176.870 0.027 0.000 1.086 183 L CA 1.029 55.911 54.840 0.070 0.000 0.760 183 L CB -0.437 41.714 42.059 0.153 0.000 0.910 183 L HN 0.282 nan 8.230 nan 0.000 0.437 184 A N 0.238 123.058 122.820 0.001 0.000 1.898 184 A HA -0.197 4.123 4.320 0.000 0.000 0.216 184 A C 2.240 179.860 177.584 0.060 0.000 1.181 184 A CA 1.420 53.444 52.037 -0.022 0.000 0.620 184 A CB -0.342 18.518 19.000 -0.235 0.000 0.819 184 A HN 0.263 nan 8.150 nan 0.000 0.442 185 K N -0.921 119.523 120.400 0.073 0.000 2.442 185 K HA -0.024 4.296 4.320 0.000 0.000 0.199 185 K C 1.534 178.180 176.600 0.077 0.000 1.044 185 K CA 1.231 57.594 56.287 0.127 0.000 0.941 185 K CB -0.237 32.335 32.500 0.119 0.000 0.759 185 K HN 0.560 nan 8.250 nan 0.000 0.472 186 M N 0.236 119.858 119.600 0.037 0.000 2.510 186 M HA 0.073 4.553 4.480 0.000 0.000 0.256 186 M C 0.016 176.303 176.300 -0.021 0.000 1.132 186 M CA 0.166 55.467 55.300 0.002 0.000 1.105 186 M CB 0.282 32.862 32.600 -0.033 0.000 1.375 186 M HN -0.018 nan 8.290 nan 0.000 0.477 187 L N 0.912 122.135 121.223 -0.000 0.000 2.456 187 L HA -0.010 4.330 4.340 0.000 0.000 0.272 187 L C 1.678 178.566 176.870 0.029 0.000 1.189 187 L CA 0.043 54.885 54.840 0.003 0.000 0.846 187 L CB 0.237 42.321 42.059 0.041 0.000 1.111 187 L HN 0.258 nan 8.230 nan 0.000 0.475 188 E N 1.406 121.616 120.200 0.016 0.000 2.153 188 E HA -0.213 4.137 4.350 0.000 0.000 0.194 188 E C 1.983 178.620 176.600 0.062 0.000 0.988 188 E CA 1.718 58.137 56.400 0.033 0.000 0.811 188 E CB 0.122 29.836 29.700 0.025 0.000 0.746 188 E HN 0.964 nan 8.360 nan 0.000 0.466 189 C N -0.335 119.013 119.300 0.079 0.000 2.437 189 C HA 0.366 4.826 4.460 0.000 0.000 0.283 189 C C 1.351 176.393 174.990 0.086 0.000 1.424 189 C CA 0.106 59.179 59.018 0.091 0.000 1.782 189 C CB -1.507 26.300 27.740 0.112 0.000 1.833 189 C HN 0.531 nan 8.230 nan 0.000 0.532 190 G N -0.738 108.120 108.800 0.095 0.000 2.781 190 G HA2 -0.050 3.910 3.960 0.000 0.000 0.683 190 G HA3 -0.050 3.910 3.960 0.000 0.000 0.683 190 G C -1.198 173.811 174.900 0.182 0.000 1.390 190 G CA -0.008 45.158 45.100 0.110 0.000 0.850 190 G HN 1.281 nan 8.290 nan 0.000 0.557 191 Y N 2.166 122.498 120.300 0.054 0.000 2.327 191 Y HA 0.586 5.136 4.550 0.000 0.000 0.325 191 Y C -1.716 174.224 175.900 0.067 0.000 0.999 191 Y CA -1.634 56.507 58.100 0.068 0.000 1.195 191 Y CB 1.846 40.358 38.460 0.087 0.000 1.132 191 Y HN 0.698 nan 8.280 nan 0.000 0.455 192 P HA 0.162 nan 4.420 nan 0.000 0.269 192 P C -2.694 174.505 177.300 -0.168 0.000 1.209 192 P CA -1.391 61.385 63.100 -0.540 0.000 0.776 192 P CB 0.649 32.130 31.700 -0.366 0.000 0.876 193 P HA -0.014 nan 4.420 nan 0.000 0.235 193 P C 0.684 177.997 177.300 0.023 0.000 1.720 193 P CA 0.154 63.273 63.100 0.031 0.000 1.003 193 P CB -0.170 31.574 31.700 0.074 0.000 1.968 194 V N 0.716 120.633 119.914 0.005 0.000 3.506 194 V HA 0.083 4.203 4.120 0.000 0.000 0.263 194 V C 0.985 177.092 176.094 0.021 0.000 1.203 194 V CA 0.844 63.147 62.300 0.005 0.000 1.133 194 V CB -0.184 31.629 31.823 -0.015 0.000 0.802 194 V HN 0.161 nan 8.190 nan 0.000 0.459 195 K N 0.405 120.825 120.400 0.034 0.000 2.132 195 K HA 0.453 4.773 4.320 0.000 0.000 0.241 195 K C 0.109 176.736 176.600 0.045 0.000 1.000 195 K CA 0.014 56.322 56.287 0.035 0.000 0.911 195 K CB 0.808 33.331 32.500 0.038 0.000 1.093 195 K HN 0.245 nan 8.250 nan 0.000 0.460 196 D N -0.358 120.061 120.400 0.032 0.000 3.856 196 D HA -0.160 4.480 4.640 0.000 0.000 0.276 196 D C -1.199 175.106 176.300 0.008 0.000 2.073 196 D CA 1.127 55.141 54.000 0.023 0.000 1.163 196 D CB 0.150 40.981 40.800 0.052 0.000 0.937 196 D HN 0.287 nan 8.370 nan 0.000 1.140 197 K N -0.527 119.870 120.400 -0.005 0.000 2.267 197 K HA 0.610 4.930 4.320 0.000 0.000 0.246 197 K C -0.044 176.508 176.600 -0.079 0.000 0.954 197 K CA -0.615 55.643 56.287 -0.049 0.000 0.824 197 K CB 1.787 34.240 32.500 -0.079 0.000 1.167 197 K HN 0.288 nan 8.250 nan 0.000 0.431 198 S N 0.705 116.294 115.700 -0.184 0.000 2.512 198 S HA 0.205 4.675 4.470 0.000 0.000 0.216 198 S C 1.544 175.865 174.600 -0.466 0.000 1.006 198 S CA -0.072 57.826 58.200 -0.504 0.000 0.915 198 S CB 0.136 63.096 63.200 -0.400 0.000 0.824 198 S HN 0.480 nan 8.310 nan 0.000 0.497 199 I N 0.623 121.092 120.570 -0.168 0.000 3.445 199 I HA 0.165 4.335 4.170 0.000 0.000 0.288 199 I C 0.745 176.958 176.117 0.160 0.000 1.198 199 I CA 0.097 61.408 61.300 0.019 0.000 1.417 199 I CB 0.347 38.376 38.000 0.048 0.000 1.205 199 I HN 0.119 nan 8.210 nan 0.000 0.448 200 V N -1.628 118.329 119.914 0.073 0.000 3.165 200 V HA 0.967 5.087 4.120 0.000 0.000 0.307 200 V C 0.347 176.442 176.094 0.001 0.000 1.281 200 V CA -0.295 62.067 62.300 0.102 0.000 1.056 200 V CB 0.482 32.345 31.823 0.066 0.000 1.178 200 V HN 0.400 nan 8.190 nan 0.000 0.475 201 G N -0.863 107.884 108.800 -0.087 0.000 2.828 201 G HA2 -0.195 3.765 3.960 0.000 0.000 0.463 201 G HA3 -0.195 3.765 3.960 0.000 0.000 0.463 201 G C -0.017 174.837 174.900 -0.076 0.000 1.394 201 G CA 0.792 45.773 45.100 -0.199 0.000 0.862 201 G HN 1.359 nan 8.290 nan 0.000 0.540 202 H N 0.235 119.290 119.070 -0.025 0.000 2.387 202 H HA 0.103 4.659 4.556 0.000 0.000 0.299 202 H C 3.005 178.377 175.328 0.073 0.000 1.090 202 H CA 1.864 57.925 56.048 0.022 0.000 1.332 202 H CB 0.010 29.773 29.762 0.001 0.000 1.386 202 H HN 0.783 nan 8.280 nan 0.000 0.516 203 A N 0.379 123.315 122.820 0.192 0.000 2.131 203 A HA -0.119 4.201 4.320 0.000 0.000 0.220 203 A C 1.783 179.547 177.584 0.301 0.000 1.158 203 A CA 1.456 53.621 52.037 0.213 0.000 0.665 203 A CB -0.167 18.942 19.000 0.182 0.000 0.795 203 A HN 0.275 nan 8.150 nan 0.000 0.460 204 S N -0.066 115.774 115.700 0.232 0.000 2.573 204 S HA 0.215 4.685 4.470 0.000 0.000 0.244 204 S C 0.420 175.134 174.600 0.191 0.000 0.984 204 S CA -0.243 58.121 58.200 0.273 0.000 1.001 204 S CB -0.049 63.270 63.200 0.199 0.000 0.788 204 S HN 0.701 nan 8.310 nan 0.000 0.456 205 E N -0.154 120.130 120.200 0.140 0.000 3.846 205 E HA 0.225 4.575 4.350 0.000 0.000 0.262 205 E C 0.443 176.995 176.600 -0.080 0.000 0.786 205 E CA -0.734 55.645 56.400 -0.035 0.000 1.620 205 E CB 0.005 29.732 29.700 0.046 0.000 1.928 205 E HN 0.354 nan 8.360 nan 0.000 0.410 206 W N 1.889 123.243 121.300 0.089 0.000 2.409 206 W HA -0.095 4.565 4.660 0.000 0.000 0.299 206 W C 2.602 179.132 176.519 0.019 0.000 1.203 206 W CA 1.058 58.416 57.345 0.022 0.000 1.298 206 W CB -0.367 29.128 29.460 0.058 0.000 1.127 206 W HN 0.408 nan 8.180 nan 0.000 0.528 207 M N -0.816 118.936 119.600 0.253 0.000 2.106 207 M HA -0.174 4.306 4.480 0.000 0.000 0.259 207 M C 1.583 177.953 176.300 0.118 0.000 1.068 207 M CA 2.045 57.442 55.300 0.163 0.000 1.100 207 M CB -1.085 31.593 32.600 0.131 0.000 1.351 207 M HN 0.100 nan 8.290 nan 0.000 0.404 208 I N -0.179 120.448 120.570 0.094 0.000 2.681 208 I HA -0.030 4.140 4.170 0.000 0.000 0.247 208 I C 2.624 178.726 176.117 -0.025 0.000 1.091 208 I CA 0.548 61.862 61.300 0.023 0.000 1.442 208 I CB -0.214 37.761 38.000 -0.042 0.000 1.219 208 I HN 0.208 nan 8.210 nan 0.000 0.451 209 M N 0.105 119.690 119.600 -0.024 0.000 2.202 209 M HA -0.217 4.263 4.480 0.000 0.000 0.262 209 M C 2.372 178.670 176.300 -0.003 0.000 1.063 209 M CA 1.850 57.109 55.300 -0.068 0.000 1.097 209 M CB -0.294 32.330 32.600 0.041 0.000 1.382 209 M HN 0.207 nan 8.290 nan 0.000 0.413 210 R N -0.205 120.323 120.500 0.048 0.000 2.098 210 R HA -0.029 4.311 4.340 0.000 0.000 0.203 210 R C 1.438 177.816 176.300 0.130 0.000 1.166 210 R CA 0.744 56.887 56.100 0.072 0.000 1.090 210 R CB 0.251 30.482 30.300 -0.115 0.000 0.992 210 R HN 0.159 nan 8.270 nan 0.000 0.477 211 D N 1.134 121.607 120.400 0.121 0.000 2.113 211 D HA -0.144 4.496 4.640 0.000 0.000 0.206 211 D C 1.840 178.191 176.300 0.084 0.000 0.979 211 D CA 0.782 54.853 54.000 0.118 0.000 0.862 211 D CB -0.527 40.343 40.800 0.117 0.000 1.013 211 D HN 0.081 nan 8.370 nan 0.000 0.455 212 L N 0.796 122.063 121.223 0.074 0.000 2.042 212 L HA -0.127 4.213 4.340 0.000 0.000 0.210 212 L C 2.203 179.106 176.870 0.055 0.000 1.076 212 L CA 1.203 56.081 54.840 0.063 0.000 0.749 212 L CB -0.841 41.274 42.059 0.093 0.000 0.893 212 L HN 0.034 nan 8.230 nan 0.000 0.432 213 L N -1.300 119.950 121.223 0.045 0.000 2.079 213 L HA -0.197 4.143 4.340 0.000 0.000 0.210 213 L C 2.504 179.440 176.870 0.111 0.000 1.081 213 L CA 1.953 56.825 54.840 0.052 0.000 0.752 213 L CB -0.877 41.164 42.059 -0.030 0.000 0.896 213 L HN 0.270 nan 8.230 nan 0.000 0.433 214 S N -1.255 114.516 115.700 0.119 0.000 2.356 214 S HA -0.146 4.324 4.470 0.000 0.000 0.223 214 S C 1.949 176.519 174.600 -0.050 0.000 1.032 214 S CA 1.418 59.676 58.200 0.097 0.000 1.005 214 S CB -0.392 62.938 63.200 0.218 0.000 0.867 214 S HN 0.348 nan 8.310 nan 0.000 0.449 215 V N 1.705 121.544 119.914 -0.124 0.000 2.295 215 V HA -0.133 3.987 4.120 0.000 0.000 0.246 215 V C 2.659 178.602 176.094 -0.252 0.000 1.049 215 V CA 1.928 63.996 62.300 -0.386 0.000 1.024 215 V CB -1.572 29.902 31.823 -0.581 0.000 0.648 215 V HN 0.582 nan 8.190 nan 0.000 0.447 216 G N -0.077 108.702 108.800 -0.035 0.000 2.440 216 G HA2 -0.241 3.719 3.960 0.000 0.000 0.218 216 G HA3 -0.241 3.719 3.960 0.000 0.000 0.218 216 G C 1.590 176.593 174.900 0.172 0.000 1.154 216 G CA 1.138 46.323 45.100 0.142 0.000 0.767 216 G HN 0.486 nan 8.290 nan 0.000 0.552 217 I N 1.324 121.967 120.570 0.121 0.000 2.179 217 I HA -0.208 3.962 4.170 0.000 0.000 0.242 217 I C 3.314 179.423 176.117 -0.014 0.000 1.088 217 I CA 1.068 62.356 61.300 -0.020 0.000 1.357 217 I CB -0.255 37.736 38.000 -0.015 0.000 1.051 217 I HN 0.255 nan 8.210 nan 0.000 0.409 218 A N 1.262 124.059 122.820 -0.039 0.000 1.902 218 A HA -0.176 4.144 4.320 0.000 0.000 0.217 218 A C 2.177 179.777 177.584 0.026 0.000 1.181 218 A CA 1.965 54.010 52.037 0.014 0.000 0.623 218 A CB -0.832 18.100 19.000 -0.113 0.000 0.818 218 A HN 0.647 nan 8.150 nan 0.000 0.443 219 I N -5.160 115.314 120.570 -0.160 0.000 3.883 219 I HA 0.187 4.357 4.170 0.000 0.000 0.326 219 I C 1.906 178.109 176.117 0.143 0.000 1.283 219 I CA 0.030 61.237 61.300 -0.155 0.000 1.161 219 I CB -0.317 37.471 38.000 -0.354 0.000 1.012 219 I HN 0.214 nan 8.210 nan 0.000 0.421 220 Y N 3.179 123.492 120.300 0.021 0.000 2.096 220 Y HA -0.380 4.170 4.550 0.000 0.000 0.276 220 Y C 2.022 177.950 175.900 0.047 0.000 1.209 220 Y CA 2.461 60.560 58.100 -0.001 0.000 1.137 220 Y CB -0.241 38.129 38.460 -0.150 0.000 0.956 220 Y HN 0.307 nan 8.280 nan 0.000 0.506 221 D N -0.365 120.170 120.400 0.225 0.000 2.149 221 D HA -0.158 4.482 4.640 0.000 0.000 0.198 221 D C 1.841 178.223 176.300 0.136 0.000 0.990 221 D CA 1.841 55.945 54.000 0.173 0.000 0.839 221 D CB -0.160 40.784 40.800 0.240 0.000 0.948 221 D HN 0.517 nan 8.370 nan 0.000 0.460 222 E N -1.369 118.954 120.200 0.204 0.000 2.290 222 E HA 0.161 4.511 4.350 0.000 0.000 0.197 222 E C -0.068 176.682 176.600 0.251 0.000 0.948 222 E CA 0.047 56.581 56.400 0.223 0.000 0.895 222 E CB 0.400 30.278 29.700 0.296 0.000 0.865 222 E HN 0.088 nan 8.360 nan 0.000 0.486 223 F N 0.868 120.813 119.950 -0.009 0.000 2.959 223 F HA 0.330 4.857 4.527 0.000 0.000 0.379 223 F C -2.374 173.370 175.800 -0.093 0.000 1.215 223 F CA -2.591 55.394 58.000 -0.025 0.000 1.190 223 F CB 1.711 40.724 39.000 0.021 0.000 1.574 223 F HN -0.117 nan 8.300 nan 0.000 0.575 224 P HA -0.139 nan 4.420 nan 0.000 0.219 224 P C 1.576 178.700 177.300 -0.292 0.000 1.150 224 P CA 1.008 63.759 63.100 -0.582 0.000 0.814 224 P CB 0.220 31.495 31.700 -0.707 0.000 0.787 225 E N -0.298 119.612 120.200 -0.484 0.000 2.136 225 E HA -0.259 4.091 4.350 0.000 0.000 0.202 225 E C 1.886 178.434 176.600 -0.086 0.000 1.019 225 E CA 1.481 57.655 56.400 -0.378 0.000 0.819 225 E CB -0.427 28.857 29.700 -0.693 0.000 0.739 225 E HN 0.150 nan 8.360 nan 0.000 0.458 226 M N -0.540 119.082 119.600 0.037 0.000 2.099 226 M HA -0.193 4.287 4.480 0.000 0.000 0.262 226 M C 2.198 178.653 176.300 0.258 0.000 1.067 226 M CA 1.579 57.076 55.300 0.329 0.000 1.124 226 M CB -0.269 32.553 32.600 0.371 0.000 1.353 226 M HN 0.219 nan 8.290 nan 0.000 0.410 227 Y N 1.467 121.851 120.300 0.140 0.000 2.165 227 Y HA -0.274 4.276 4.550 0.000 0.000 0.286 227 Y C 1.911 177.890 175.900 0.132 0.000 1.155 227 Y CA 2.111 60.306 58.100 0.157 0.000 1.164 227 Y CB -0.424 38.202 38.460 0.278 0.000 0.978 227 Y HN 0.381 nan 8.280 nan 0.000 0.513 228 N N 0.228 119.036 118.700 0.180 0.000 2.364 228 N HA -0.142 4.598 4.740 0.000 0.000 0.183 228 N C 1.695 177.190 175.510 -0.025 0.000 1.022 228 N CA 1.511 54.595 53.050 0.057 0.000 0.883 228 N CB -0.260 38.263 38.487 0.061 0.000 0.965 228 N HN 0.445 nan 8.380 nan 0.000 0.438 229 L N -0.343 120.873 121.223 -0.012 0.000 2.221 229 L HA 0.158 4.498 4.340 0.000 0.000 0.202 229 L C 2.317 179.179 176.870 -0.012 0.000 1.074 229 L CA 0.587 55.409 54.840 -0.030 0.000 0.795 229 L CB -0.328 41.683 42.059 -0.081 0.000 0.960 229 L HN 0.037 nan 8.230 nan 0.000 0.458 230 A N 0.226 123.049 122.820 0.004 0.000 1.854 230 A HA -0.020 4.300 4.320 0.000 0.000 0.214 230 A C 2.432 179.980 177.584 -0.059 0.000 1.192 230 A CA 1.433 53.468 52.037 -0.005 0.000 0.611 230 A CB -0.706 18.314 19.000 0.032 0.000 0.832 230 A HN 0.322 nan 8.150 nan 0.000 0.442 231 A N -0.483 122.219 122.820 -0.197 0.000 2.015 231 A HA 0.195 4.515 4.320 0.000 0.000 0.219 231 A C 2.294 179.949 177.584 0.119 0.000 1.163 231 A CA 1.658 53.630 52.037 -0.109 0.000 0.646 231 A CB -1.206 17.413 19.000 -0.636 0.000 0.806 231 A HN 0.711 nan 8.150 nan 0.000 0.448 232 G N -0.675 108.117 108.800 -0.014 0.000 2.432 232 G HA2 -0.233 3.727 3.960 0.000 0.000 0.219 232 G HA3 -0.233 3.727 3.960 0.000 0.000 0.219 232 G C 1.740 176.691 174.900 0.086 0.000 1.135 232 G CA 0.977 46.102 45.100 0.042 0.000 0.767 232 G HN 0.524 nan 8.290 nan 0.000 0.550 233 R N -0.955 119.592 120.500 0.078 0.000 2.140 233 R HA 0.122 4.462 4.340 0.000 0.000 0.213 233 R C 2.171 178.550 176.300 0.133 0.000 1.059 233 R CA 0.333 56.491 56.100 0.097 0.000 1.000 233 R CB -0.282 30.072 30.300 0.090 0.000 0.910 233 R HN 0.351 nan 8.270 nan 0.000 0.455 234 F N 0.461 120.351 119.950 -0.100 0.000 2.171 234 F HA -0.155 4.372 4.527 0.000 0.000 0.300 234 F C 1.252 176.937 175.800 -0.191 0.000 1.090 234 F CA 1.538 59.398 58.000 -0.232 0.000 1.293 234 F CB -0.191 38.578 39.000 -0.386 0.000 1.013 234 F HN -0.067 nan 8.300 nan 0.000 0.486 235 F N 0.499 120.394 119.950 -0.093 0.000 2.179 235 F HA 0.026 4.553 4.527 0.000 0.000 0.292 235 F C 2.510 178.216 175.800 -0.157 0.000 1.089 235 F CA 1.356 59.246 58.000 -0.182 0.000 1.295 235 F CB -0.681 38.315 39.000 -0.007 0.000 1.041 235 F HN -0.226 nan 8.300 nan 0.000 0.487 236 K N -0.005 120.454 120.400 0.099 0.000 2.103 236 K HA -0.185 4.135 4.320 0.000 0.000 0.207 236 K C 1.420 178.003 176.600 -0.028 0.000 1.048 236 K CA 1.953 58.259 56.287 0.032 0.000 0.930 236 K CB 0.082 32.605 32.500 0.039 0.000 0.716 236 K HN 0.338 nan 8.250 nan 0.000 0.444 237 E N -2.399 117.785 120.200 -0.028 0.000 2.629 237 E HA 0.062 4.412 4.350 0.000 0.000 0.197 237 E C 1.879 178.420 176.600 -0.099 0.000 0.955 237 E CA -0.247 56.124 56.400 -0.049 0.000 1.191 237 E CB 0.053 29.759 29.700 0.011 0.000 1.175 237 E HN 0.277 nan 8.360 nan 0.000 0.501 238 H N 1.165 120.097 119.070 -0.230 0.000 2.319 238 H HA -0.096 4.460 4.556 0.000 0.000 0.299 238 H C 2.358 177.446 175.328 -0.401 0.000 1.092 238 H CA 1.120 57.029 56.048 -0.233 0.000 1.302 238 H CB 0.148 29.838 29.762 -0.119 0.000 1.373 238 H HN 0.091 nan 8.280 nan 0.000 0.497 239 L N 0.645 121.463 121.223 -0.675 0.000 2.017 239 L HA -0.165 4.175 4.340 0.000 0.000 0.208 239 L C 2.591 179.245 176.870 -0.359 0.000 1.073 239 L CA 0.896 55.313 54.840 -0.705 0.000 0.745 239 L CB -0.264 41.191 42.059 -1.007 0.000 0.894 239 L HN 0.092 nan 8.230 nan 0.000 0.432 240 V N 0.181 119.938 119.914 -0.262 0.000 2.332 240 V HA -0.326 3.794 4.120 0.000 0.000 0.248 240 V C 2.766 178.789 176.094 -0.119 0.000 1.055 240 V CA 1.858 64.060 62.300 -0.163 0.000 1.038 240 V CB -0.913 30.823 31.823 -0.144 0.000 0.651 240 V HN 0.566 nan 8.190 nan 0.000 0.450 241 A N -0.461 122.294 122.820 -0.109 0.000 1.930 241 A HA -0.204 4.116 4.320 0.000 0.000 0.217 241 A C 2.364 180.002 177.584 0.091 0.000 1.175 241 A CA 1.814 53.866 52.037 0.026 0.000 0.627 241 A CB -0.424 18.592 19.000 0.026 0.000 0.815 241 A HN 0.509 nan 8.150 nan 0.000 0.443 242 R N -0.498 119.897 120.500 -0.176 0.000 2.075 242 R HA -0.023 4.317 4.340 0.000 0.000 0.226 242 R C 1.677 177.361 176.300 -1.027 0.000 1.114 242 R CA 1.194 56.867 56.100 -0.712 0.000 0.972 242 R CB -0.233 29.725 30.300 -0.569 0.000 0.869 242 R HN 0.442 nan 8.270 nan 0.000 0.437 243 N N -0.214 118.167 118.700 -0.530 0.000 2.364 243 N HA -0.197 4.543 4.740 0.000 0.000 0.183 243 N C 1.070 176.519 175.510 -0.102 0.000 1.022 243 N CA 0.787 53.669 53.050 -0.279 0.000 0.883 243 N CB -0.186 38.229 38.487 -0.121 0.000 0.965 243 N HN 0.337 nan 8.380 nan 0.000 0.438 244 W N 1.196 122.343 121.300 -0.255 0.000 2.467 244 W HA -0.068 4.592 4.660 0.000 0.000 0.275 244 W C 1.265 177.750 176.519 -0.056 0.000 1.239 244 W CA 0.745 58.011 57.345 -0.131 0.000 1.266 244 W CB -0.275 29.125 29.460 -0.100 0.000 1.112 244 W HN 0.105 nan 8.180 nan 0.000 0.576 245 F N -4.318 115.551 119.950 -0.135 0.000 2.746 245 F HA 0.277 4.804 4.527 0.000 0.000 0.313 245 F C 1.403 177.225 175.800 0.036 0.000 1.095 245 F CA -0.566 57.246 58.000 -0.313 0.000 1.224 245 F CB -1.381 37.399 39.000 -0.366 0.000 1.060 245 F HN -0.242 nan 8.300 nan 0.000 0.584 246 Y N 2.410 122.426 120.300 -0.473 0.000 2.193 246 Y HA -0.023 4.527 4.550 0.000 0.000 0.285 246 Y C -0.583 175.307 175.900 -0.017 0.000 1.166 246 Y CA 0.748 58.714 58.100 -0.224 0.000 1.181 246 Y CB -2.200 36.148 38.460 -0.187 0.000 0.976 246 Y HN 0.130 nan 8.280 nan 0.000 0.520 247 P HA -0.085 nan 4.420 nan 0.000 0.220 247 P C 1.492 178.569 177.300 -0.373 0.000 1.148 247 P CA 1.853 64.903 63.100 -0.084 0.000 0.803 247 P CB 0.053 31.689 31.700 -0.107 0.000 0.782 248 S N -2.232 113.340 115.700 -0.214 0.000 2.593 248 S HA 0.021 4.491 4.470 0.000 0.000 0.217 248 S C 0.045 174.558 174.600 -0.144 0.000 0.966 248 S CA -0.083 57.957 58.200 -0.267 0.000 0.914 248 S CB -1.140 61.977 63.200 -0.138 0.000 0.776 248 S HN 0.364 nan 8.310 nan 0.000 0.523 249 H N 0.215 119.265 119.070 -0.033 0.000 2.886 249 H HA -0.115 4.441 4.556 0.000 0.000 0.294 249 H C 0.006 175.221 175.328 -0.189 0.000 1.246 249 H CA 0.213 56.194 56.048 -0.113 0.000 1.142 249 H CB -1.271 28.412 29.762 -0.132 0.000 1.358 249 H HN 0.250 nan 8.280 nan 0.000 0.406 250 N N -0.865 117.779 118.700 -0.093 0.000 3.039 250 N HA 0.425 5.165 4.740 0.000 0.000 0.257 250 N C -1.436 173.919 175.510 -0.259 0.000 1.497 250 N CA -0.521 52.304 53.050 -0.376 0.000 0.861 250 N CB 1.969 39.896 38.487 -0.933 0.000 1.479 250 N HN 0.085 nan 8.380 nan 0.000 0.547 251 Y N -0.142 119.882 120.300 -0.461 0.000 2.576 251 Y HA 0.329 4.879 4.550 0.000 0.000 0.346 251 Y C 0.829 176.512 175.900 -0.361 0.000 1.018 251 Y CA -0.470 57.395 58.100 -0.390 0.000 1.050 251 Y CB 1.282 39.525 38.460 -0.361 0.000 1.280 251 Y HN 0.574 nan 8.280 nan 0.000 0.474 252 H N 0.119 119.066 119.070 -0.205 0.000 2.672 252 H HA 0.247 4.803 4.556 0.000 0.000 0.277 252 H C -0.337 175.024 175.328 0.055 0.000 1.074 252 H CA -0.129 55.845 56.048 -0.124 0.000 1.173 252 H CB 0.692 29.930 29.762 -0.873 0.000 1.558 252 H HN 0.526 nan 8.280 nan 0.000 0.539 253 Q N 1.498 121.361 119.800 0.105 0.000 2.188 253 Q HA 0.268 4.608 4.340 0.000 0.000 0.212 253 Q C 0.623 176.703 176.000 0.135 0.000 0.846 253 Q CA 0.442 56.361 55.803 0.193 0.000 0.989 253 Q CB 1.309 30.183 28.738 0.225 0.000 1.114 253 Q HN 0.778 nan 8.270 nan 0.000 0.488 254 G N 0.998 109.831 108.800 0.055 0.000 2.756 254 G HA2 -0.220 3.740 3.960 0.000 0.000 0.678 254 G HA3 -0.220 3.740 3.960 0.000 0.000 0.678 254 G C 0.338 175.246 174.900 0.012 0.000 1.349 254 G CA -0.386 44.703 45.100 -0.017 0.000 0.847 254 G HN 0.101 nan 8.290 nan 0.000 0.548 255 M N 0.325 119.928 119.600 0.005 0.000 2.561 255 M HA 0.159 4.639 4.480 0.000 0.000 0.238 255 M C 2.254 178.629 176.300 0.125 0.000 1.131 255 M CA 1.315 56.654 55.300 0.067 0.000 1.046 255 M CB -0.567 32.073 32.600 0.066 0.000 1.532 255 M HN 0.453 nan 8.290 nan 0.000 0.497 256 S N -1.033 114.679 115.700 0.020 0.000 2.452 256 S HA 0.075 4.545 4.470 0.000 0.000 0.225 256 S C 1.505 175.995 174.600 -0.183 0.000 1.057 256 S CA 0.239 58.375 58.200 -0.107 0.000 0.949 256 S CB -0.080 62.977 63.200 -0.239 0.000 0.836 256 S HN 0.396 nan 8.310 nan 0.000 0.518 257 Y N 1.908 122.138 120.300 -0.115 0.000 2.616 257 Y HA 0.099 4.649 4.550 0.000 0.000 0.296 257 Y C 1.925 177.782 175.900 -0.071 0.000 1.154 257 Y CA -0.119 57.910 58.100 -0.118 0.000 1.325 257 Y CB -0.257 38.066 38.460 -0.229 0.000 1.007 257 Y HN 0.180 nan 8.280 nan 0.000 0.542 258 L N 0.495 121.750 121.223 0.052 0.000 2.081 258 L HA -0.285 4.055 4.340 0.000 0.000 0.212 258 L C 2.025 178.918 176.870 0.037 0.000 1.080 258 L CA 1.717 56.526 54.840 -0.052 0.000 0.754 258 L CB -0.878 41.168 42.059 -0.022 0.000 0.893 258 L HN 0.272 nan 8.230 nan 0.000 0.433 259 N N -0.686 118.104 118.700 0.149 0.000 2.022 259 N HA -0.190 4.550 4.740 0.000 0.000 0.195 259 N C 1.888 177.443 175.510 0.075 0.000 1.063 259 N CA 2.019 55.170 53.050 0.168 0.000 0.851 259 N CB -0.437 38.113 38.487 0.104 0.000 1.050 259 N HN 0.330 nan 8.380 nan 0.000 0.425 260 V N 2.639 122.579 119.914 0.044 0.000 2.295 260 V HA -0.180 3.940 4.120 0.000 0.000 0.246 260 V C 2.511 178.532 176.094 -0.123 0.000 1.049 260 V CA 1.528 63.816 62.300 -0.020 0.000 1.024 260 V CB -0.305 31.573 31.823 0.092 0.000 0.648 260 V HN 0.323 nan 8.190 nan 0.000 0.447 261 R N -0.893 119.593 120.500 -0.024 0.000 2.073 261 R HA -0.120 4.220 4.340 0.000 0.000 0.234 261 R C 2.092 178.348 176.300 -0.074 0.000 1.134 261 R CA 1.895 57.977 56.100 -0.030 0.000 0.952 261 R CB -1.331 28.982 30.300 0.023 0.000 0.850 261 R HN 0.587 nan 8.270 nan 0.000 0.433 262 F N 2.132 121.847 119.950 -0.391 0.000 2.163 262 F HA -0.103 4.424 4.527 0.000 0.000 0.297 262 F C 2.114 177.840 175.800 -0.122 0.000 1.094 262 F CA 1.256 59.053 58.000 -0.338 0.000 1.290 262 F CB -0.625 38.115 39.000 -0.433 0.000 1.017 262 F HN -0.047 nan 8.300 nan 0.000 0.483 263 T N 0.803 115.277 114.554 -0.134 0.000 2.624 263 T HA -0.270 4.080 4.350 0.000 0.000 0.268 263 T C 1.860 176.502 174.700 -0.097 0.000 1.041 263 T CA 1.899 63.922 62.100 -0.129 0.000 1.159 263 T CB -0.454 68.390 68.868 -0.041 0.000 0.863 263 T HN 0.269 nan 8.240 nan 0.000 0.434 264 N N 0.819 119.399 118.700 -0.201 0.000 2.244 264 N HA -0.092 4.648 4.740 0.000 0.000 0.183 264 N C 1.479 177.021 175.510 0.053 0.000 1.016 264 N CA 0.950 53.918 53.050 -0.137 0.000 0.866 264 N CB -0.349 37.945 38.487 -0.321 0.000 0.980 264 N HN 0.376 nan 8.380 nan 0.000 0.430 265 D N 0.872 121.307 120.400 0.058 0.000 2.149 265 D HA -0.080 4.560 4.640 0.000 0.000 0.198 265 D C 2.003 178.274 176.300 -0.048 0.000 0.990 265 D CA 0.590 54.675 54.000 0.142 0.000 0.839 265 D CB -0.175 40.722 40.800 0.163 0.000 0.948 265 D HN 0.263 nan 8.370 nan 0.000 0.460 266 L N -0.883 120.197 121.223 -0.238 0.000 2.313 266 L HA -0.007 4.333 4.340 0.000 0.000 0.214 266 L C 2.007 178.842 176.870 -0.058 0.000 1.119 266 L CA 0.158 54.836 54.840 -0.271 0.000 0.809 266 L CB -0.174 41.636 42.059 -0.415 0.000 0.933 266 L HN -0.056 nan 8.230 nan 0.000 0.449 267 F N 0.394 120.314 119.950 -0.050 0.000 2.134 267 F HA -0.218 4.309 4.527 0.000 0.000 0.299 267 F C 2.612 178.438 175.800 0.042 0.000 1.097 267 F CA 1.414 59.429 58.000 0.024 0.000 1.264 267 F CB -0.461 38.532 39.000 -0.012 0.000 1.001 267 F HN 0.019 nan 8.300 nan 0.000 0.479 268 A N -0.210 122.728 122.820 0.198 0.000 1.978 268 A HA -0.198 4.122 4.320 0.000 0.000 0.220 268 A C 2.081 179.728 177.584 0.105 0.000 1.170 268 A CA 1.714 53.772 52.037 0.035 0.000 0.636 268 A CB -1.080 17.871 19.000 -0.081 0.000 0.810 268 A HN 0.410 nan 8.150 nan 0.000 0.448 269 L N -1.767 119.572 121.223 0.193 0.000 1.994 269 L HA -0.093 4.247 4.340 0.000 0.000 0.208 269 L C 2.211 178.941 176.870 -0.233 0.000 1.071 269 L CA 2.042 56.899 54.840 0.029 0.000 0.745 269 L CB -0.661 41.222 42.059 -0.294 0.000 0.892 269 L HN 0.550 nan 8.230 nan 0.000 0.431 270 W N -0.241 120.820 121.300 -0.397 0.000 2.409 270 W HA -0.054 4.606 4.660 0.000 0.000 0.299 270 W C 2.448 178.767 176.519 -0.334 0.000 1.203 270 W CA 1.378 58.338 57.345 -0.642 0.000 1.298 270 W CB -0.202 28.316 29.460 -1.571 0.000 1.127 270 W HN 0.093 nan 8.180 nan 0.000 0.528 271 I N -0.013 120.643 120.570 0.143 0.000 2.127 271 I HA -0.359 3.811 4.170 0.000 0.000 0.241 271 I C 2.135 178.371 176.117 0.199 0.000 1.075 271 I CA 1.509 63.012 61.300 0.338 0.000 1.334 271 I CB -0.788 37.444 38.000 0.386 0.000 1.040 271 I HN -0.065 nan 8.210 nan 0.000 0.405 272 L N -0.153 121.130 121.223 0.099 0.000 2.217 272 L HA -0.183 4.157 4.340 0.000 0.000 0.211 272 L C 2.302 179.224 176.870 0.086 0.000 1.107 272 L CA 0.972 55.867 54.840 0.092 0.000 0.783 272 L CB -0.624 41.488 42.059 0.090 0.000 0.919 272 L HN 0.356 nan 8.230 nan 0.000 0.442 273 D N 0.337 120.768 120.400 0.052 0.000 2.084 273 D HA -0.184 4.456 4.640 0.000 0.000 0.196 273 D C 2.216 178.550 176.300 0.057 0.000 0.985 273 D CA 1.051 55.077 54.000 0.044 0.000 0.826 273 D CB 0.179 40.980 40.800 0.003 0.000 0.978 273 D HN 0.071 nan 8.370 nan 0.000 0.456 274 R N 0.394 120.950 120.500 0.094 0.000 2.127 274 R HA -0.102 4.238 4.340 0.000 0.000 0.238 274 R C 2.287 178.672 176.300 0.142 0.000 1.134 274 R CA 0.438 56.640 56.100 0.170 0.000 0.975 274 R CB -0.854 29.649 30.300 0.339 0.000 0.865 274 R HN 0.411 nan 8.270 nan 0.000 0.447 275 M N -0.517 119.153 119.600 0.117 0.000 2.446 275 M HA -0.077 4.403 4.480 0.000 0.000 0.263 275 M C 0.473 176.765 176.300 -0.013 0.000 1.066 275 M CA 1.736 57.060 55.300 0.039 0.000 1.087 275 M CB 0.199 32.804 32.600 0.009 0.000 1.406 275 M HN 0.354 nan 8.290 nan 0.000 0.459 276 G N -0.796 108.015 108.800 0.018 0.000 2.148 276 G HA2 -0.169 3.791 3.960 0.000 0.000 0.203 276 G HA3 -0.169 3.791 3.960 0.000 0.000 0.203 276 G C 0.392 175.317 174.900 0.043 0.000 0.993 276 G CA 0.171 45.278 45.100 0.012 0.000 0.661 276 G HN 0.668 nan 8.290 nan 0.000 0.518 277 A N -0.072 122.788 122.820 0.066 0.000 2.423 277 A HA 0.704 5.024 4.320 0.000 0.000 0.246 277 A C 2.063 179.834 177.584 0.311 0.000 1.278 277 A CA 1.446 53.576 52.037 0.156 0.000 0.903 277 A CB -0.346 18.659 19.000 0.009 0.000 0.997 277 A HN 2.514 nan 8.150 nan 0.000 0.510 278 G N 0.509 109.425 108.800 0.192 0.000 2.645 278 G HA2 -0.260 3.700 3.960 0.000 0.000 0.239 278 G HA3 -0.260 3.700 3.960 0.000 0.000 0.239 278 G C -0.187 174.817 174.900 0.175 0.000 1.331 278 G CA -0.063 45.138 45.100 0.169 0.000 0.890 278 G HN 0.803 nan 8.290 nan 0.000 0.572 279 N N 0.610 119.414 118.700 0.173 0.000 2.406 279 N HA 0.333 5.073 4.740 0.000 0.000 0.251 279 N C 1.586 177.209 175.510 0.188 0.000 1.069 279 N CA 0.328 53.480 53.050 0.169 0.000 0.947 279 N CB 1.240 39.846 38.487 0.198 0.000 1.111 279 N HN 1.316 nan 8.380 nan 0.000 0.497 280 V N 1.278 121.289 119.914 0.163 0.000 3.306 280 V HA 0.312 4.432 4.120 0.000 0.000 0.264 280 V C 0.484 176.540 176.094 -0.064 0.000 1.149 280 V CA 0.483 62.850 62.300 0.111 0.000 1.143 280 V CB -1.179 30.700 31.823 0.092 0.000 0.767 280 V HN 0.254 nan 8.190 nan 0.000 0.476 281 F N 1.421 121.447 119.950 0.127 0.000 2.403 281 F HA 0.437 4.964 4.527 0.000 0.000 0.326 281 F C 0.822 176.715 175.800 0.155 0.000 1.081 281 F CA -1.135 56.941 58.000 0.126 0.000 1.041 281 F CB 0.502 39.639 39.000 0.229 0.000 1.234 281 F HN -0.059 nan 8.300 nan 0.000 0.503 282 N N 4.336 123.263 118.700 0.379 0.000 2.440 282 N HA -0.007 4.733 4.740 0.000 0.000 0.265 282 N C -1.795 173.933 175.510 0.363 0.000 1.239 282 N CA -0.964 52.269 53.050 0.305 0.000 0.909 282 N CB 1.012 39.643 38.487 0.239 0.000 1.066 282 N HN 0.230 nan 8.380 nan 0.000 0.474 283 P HA -0.029 nan 4.420 nan 0.000 0.236 283 P C 1.099 178.449 177.300 0.085 0.000 1.172 283 P CA 0.527 63.773 63.100 0.242 0.000 0.759 283 P CB -0.137 31.718 31.700 0.258 0.000 0.843 284 G N 0.648 109.550 108.800 0.169 0.000 2.498 284 G HA2 -0.276 3.684 3.960 0.000 0.000 0.219 284 G HA3 -0.276 3.684 3.960 0.000 0.000 0.219 284 G C 1.585 176.452 174.900 -0.055 0.000 1.119 284 G CA 0.266 45.491 45.100 0.209 0.000 0.766 284 G HN 0.331 nan 8.290 nan 0.000 0.552 285 Q N -0.099 119.553 119.800 -0.247 0.000 2.217 285 Q HA -0.295 4.045 4.340 0.000 0.000 0.209 285 Q C 2.405 178.090 176.000 -0.526 0.000 0.988 285 Q CA 1.934 57.382 55.803 -0.592 0.000 0.878 285 Q CB -0.212 28.304 28.738 -0.371 0.000 0.909 285 Q HN 0.740 nan 8.270 nan 0.000 0.424 286 Q N -0.664 118.589 119.800 -0.911 0.000 2.135 286 Q HA -0.174 4.166 4.340 0.000 0.000 0.204 286 Q C 0.850 176.328 176.000 -0.869 0.000 0.981 286 Q CA 1.608 56.657 55.803 -1.258 0.000 0.856 286 Q CB -0.036 27.629 28.738 -1.788 0.000 0.902 286 Q HN 0.505 nan 8.270 nan 0.000 0.425 287 F N -0.622 119.031 119.950 -0.495 0.000 2.727 287 F HA 0.212 4.739 4.527 0.000 0.000 0.302 287 F C 1.467 177.067 175.800 -0.333 0.000 1.097 287 F CA -0.269 57.392 58.000 -0.565 0.000 1.330 287 F CB 0.211 38.481 39.000 -1.217 0.000 1.084 287 F HN 0.026 nan 8.300 nan 0.000 0.578 288 I N -0.251 120.187 120.570 -0.220 0.000 2.208 288 I HA -0.290 3.880 4.170 0.000 0.000 0.245 288 I C 2.307 178.284 176.117 -0.234 0.000 1.097 288 I CA 1.154 62.280 61.300 -0.291 0.000 1.363 288 I CB -0.269 37.332 38.000 -0.664 0.000 1.051 288 I HN 0.143 nan 8.210 nan 0.000 0.413 289 L N -0.324 120.812 121.223 -0.146 0.000 2.362 289 L HA -0.162 4.178 4.340 0.000 0.000 0.219 289 L C 2.068 178.941 176.870 0.005 0.000 1.134 289 L CA 1.533 56.313 54.840 -0.100 0.000 0.807 289 L CB -0.789 41.286 42.059 0.025 0.000 0.927 289 L HN 0.153 nan 8.230 nan 0.000 0.447 290 Y N -0.501 119.770 120.300 -0.049 0.000 2.315 290 Y HA -0.287 4.263 4.550 0.000 0.000 0.288 290 Y C 2.400 178.378 175.900 0.130 0.000 1.154 290 Y CA 1.670 59.812 58.100 0.070 0.000 1.229 290 Y CB -0.595 37.925 38.460 0.100 0.000 0.980 290 Y HN 0.367 nan 8.280 nan 0.000 0.540 291 D N -0.490 119.994 120.400 0.139 0.000 2.123 291 D HA -0.204 4.436 4.640 0.000 0.000 0.196 291 D C 2.231 178.554 176.300 0.039 0.000 0.992 291 D CA 1.389 55.419 54.000 0.050 0.000 0.833 291 D CB -0.153 40.611 40.800 -0.060 0.000 0.954 291 D HN 0.253 nan 8.370 nan 0.000 0.455 292 A N -0.038 122.729 122.820 -0.089 0.000 1.930 292 A HA -0.077 4.243 4.320 0.000 0.000 0.217 292 A C 2.370 179.975 177.584 0.035 0.000 1.175 292 A CA 0.879 52.822 52.037 -0.158 0.000 0.627 292 A CB -0.689 17.957 19.000 -0.589 0.000 0.815 292 A HN 0.376 nan 8.150 nan 0.000 0.443 293 I N -2.003 118.620 120.570 0.088 0.000 2.226 293 I HA -0.276 3.894 4.170 0.000 0.000 0.245 293 I C 2.267 178.525 176.117 0.236 0.000 1.100 293 I CA 1.438 62.811 61.300 0.121 0.000 1.374 293 I CB -0.367 37.630 38.000 -0.006 0.000 1.057 293 I HN 0.387 nan 8.210 nan 0.000 0.413 294 Y N 0.961 121.382 120.300 0.202 0.000 2.352 294 Y HA -0.160 4.390 4.550 0.000 0.000 0.292 294 Y C 2.198 178.130 175.900 0.055 0.000 1.136 294 Y CA 1.302 59.539 58.100 0.228 0.000 1.227 294 Y CB -0.182 38.357 38.460 0.132 0.000 0.991 294 Y HN 0.034 nan 8.280 nan 0.000 0.545 295 K N 0.243 120.741 120.400 0.163 0.000 2.444 295 K HA 0.014 4.334 4.320 0.000 0.000 0.193 295 K C 0.517 177.123 176.600 0.010 0.000 1.024 295 K CA -0.153 56.162 56.287 0.047 0.000 1.077 295 K CB 0.165 32.680 32.500 0.025 0.000 0.833 295 K HN 0.020 nan 8.250 nan 0.000 0.517 296 R N 1.776 122.308 120.500 0.054 0.000 2.316 296 R HA 0.098 4.438 4.340 0.000 0.000 0.314 296 R C -0.735 175.524 176.300 -0.068 0.000 1.069 296 R CA -0.216 55.900 56.100 0.026 0.000 0.959 296 R CB 0.478 30.838 30.300 0.099 0.000 0.987 296 R HN -0.064 nan 8.270 nan 0.000 0.446 297 R N 4.879 125.277 120.500 -0.171 0.000 2.531 297 R HA 0.180 4.520 4.340 0.000 0.000 0.273 297 R C -1.727 174.500 176.300 -0.120 0.000 1.070 297 R CA -1.665 54.233 56.100 -0.336 0.000 1.112 297 R CB 0.473 30.447 30.300 -0.543 0.000 1.049 297 R HN 0.527 nan 8.270 nan 0.000 0.508 298 P HA -0.101 nan 4.420 nan 0.000 0.239 298 P C -0.257 177.075 177.300 0.053 0.000 1.184 298 P CA 0.964 64.089 63.100 0.042 0.000 0.760 298 P CB 0.114 31.865 31.700 0.086 0.000 0.884 299 D N -2.499 117.929 120.400 0.047 0.000 2.369 299 D HA 0.147 4.787 4.640 0.000 0.000 0.211 299 D C 1.440 177.749 176.300 0.015 0.000 1.077 299 D CA 0.289 54.321 54.000 0.053 0.000 0.842 299 D CB -0.628 40.227 40.800 0.092 0.000 0.947 299 D HN 0.145 nan 8.370 nan 0.000 0.509 300 G N -0.336 108.457 108.800 -0.012 0.000 2.195 300 G HA2 -0.255 3.705 3.960 0.000 0.000 0.246 300 G HA3 -0.255 3.705 3.960 0.000 0.000 0.246 300 G C 0.248 175.090 174.900 -0.098 0.000 0.984 300 G CA 0.000 45.066 45.100 -0.057 0.000 0.633 300 G HN 0.358 nan 8.290 nan 0.000 0.525 301 Q N -0.044 119.725 119.800 -0.053 0.000 2.185 301 Q HA 0.698 5.038 4.340 0.000 0.000 0.225 301 Q C 0.503 176.485 176.000 -0.031 0.000 0.983 301 Q CA -0.440 55.340 55.803 -0.037 0.000 0.950 301 Q CB 1.124 29.880 28.738 0.030 0.000 1.176 301 Q HN 0.332 nan 8.270 nan 0.000 0.510 302 I N 1.209 121.786 120.570 0.013 0.000 2.562 302 I HA 0.227 4.397 4.170 0.000 0.000 0.301 302 I C 0.191 176.338 176.117 0.051 0.000 1.003 302 I CA -1.201 60.125 61.300 0.042 0.000 1.127 302 I CB 0.961 39.036 38.000 0.125 0.000 1.304 302 I HN 0.478 nan 8.210 nan 0.000 0.446 303 L N 4.117 125.350 121.223 0.015 0.000 2.525 303 L HA 0.168 4.508 4.340 0.000 0.000 0.278 303 L C 0.804 177.716 176.870 0.070 0.000 1.218 303 L CA 0.513 55.374 54.840 0.035 0.000 0.878 303 L CB 0.448 42.503 42.059 -0.006 0.000 1.127 303 L HN 0.823 nan 8.230 nan 0.000 0.492 304 A N 3.131 126.026 122.820 0.126 0.000 2.327 304 A HA 0.692 5.012 4.320 0.000 0.000 0.255 304 A C 0.315 177.921 177.584 0.037 0.000 1.099 304 A CA 0.317 52.446 52.037 0.153 0.000 0.801 304 A CB 0.135 19.325 19.000 0.315 0.000 1.062 304 A HN 1.131 nan 8.150 nan 0.000 0.496 305 G N -1.310 107.490 108.800 0.000 0.000 2.219 305 G HA2 0.656 4.616 3.960 0.000 0.000 0.304 305 G HA3 0.656 4.616 3.960 0.000 0.000 0.304 305 G C 0.174 174.941 174.900 -0.221 0.000 1.712 305 G CA 0.494 45.512 45.100 -0.136 0.000 0.905 305 G HN 2.622 nan 8.290 nan 0.000 0.706 306 G N 1.740 110.225 108.800 -0.526 0.000 2.645 306 G HA2 -0.026 3.934 3.960 0.000 0.000 0.239 306 G HA3 -0.026 3.934 3.960 0.000 0.000 0.239 306 G C -0.317 174.337 174.900 -0.410 0.000 1.331 306 G CA 0.116 44.738 45.100 -0.797 0.000 0.890 306 G HN 1.067 nan 8.290 nan 0.000 0.572 307 D N 1.360 121.763 120.400 0.006 0.000 2.346 307 D HA 0.409 5.049 4.640 0.000 0.000 0.267 307 D C 0.846 177.218 176.300 0.119 0.000 1.320 307 D CA 1.115 55.289 54.000 0.289 0.000 0.951 307 D CB 0.465 41.286 40.800 0.036 0.000 1.079 307 D HN 1.202 nan 8.370 nan 0.000 0.509 308 V N -0.206 119.888 119.914 0.300 0.000 3.130 308 V HA 0.689 4.809 4.120 0.000 0.000 0.310 308 V C -0.427 175.584 176.094 -0.139 0.000 1.158 308 V CA -0.983 61.339 62.300 0.037 0.000 1.029 308 V CB 2.958 34.772 31.823 -0.014 0.000 1.057 308 V HN 0.033 nan 8.190 nan 0.000 0.436 309 D N -0.540 119.677 120.400 -0.304 0.000 2.553 309 D HA 0.705 5.345 4.640 0.000 0.000 0.249 309 D C -1.521 174.407 176.300 -0.619 0.000 1.062 309 D CA -0.012 53.695 54.000 -0.488 0.000 1.085 309 D CB 1.969 42.694 40.800 -0.125 0.000 1.350 309 D HN 0.699 nan 8.370 nan 0.000 0.575 310 Y N -0.757 119.587 120.300 0.073 0.000 2.545 310 Y HA 0.631 5.181 4.550 0.000 0.000 0.348 310 Y C 0.034 175.960 175.900 0.043 0.000 1.002 310 Y CA -0.843 57.294 58.100 0.063 0.000 1.039 310 Y CB 2.335 40.842 38.460 0.078 0.000 1.271 310 Y HN 0.102 nan 8.280 nan 0.000 0.467 311 S N 0.610 116.425 115.700 0.192 0.000 2.543 311 S HA 0.500 4.970 4.470 0.000 0.000 0.274 311 S C -0.886 173.767 174.600 0.088 0.000 1.149 311 S CA -0.931 57.335 58.200 0.109 0.000 0.866 311 S CB 1.033 64.269 63.200 0.059 0.000 1.111 311 S HN 0.696 nan 8.310 nan 0.000 0.457 312 R N 2.483 123.023 120.500 0.067 0.000 2.700 312 R HA 0.287 4.627 4.340 0.000 0.000 0.377 312 R C 0.493 176.814 176.300 0.034 0.000 1.130 312 R CA -0.231 55.899 56.100 0.051 0.000 1.055 312 R CB 0.111 30.443 30.300 0.053 0.000 1.387 312 R HN 0.496 nan 8.270 nan 0.000 0.580 313 K N 0.593 121.011 120.400 0.030 0.000 2.166 313 K HA 0.113 4.433 4.320 0.000 0.000 0.201 313 K C 0.187 176.799 176.600 0.019 0.000 1.052 313 K CA 0.993 57.295 56.287 0.025 0.000 0.969 313 K CB 0.516 33.032 32.500 0.027 0.000 0.761 313 K HN -0.116 nan 8.250 nan 0.000 0.459 314 K N 0.092 120.493 120.400 0.002 0.000 2.610 314 K HA 0.198 4.518 4.320 0.000 0.000 0.267 314 K C -2.946 173.599 176.600 -0.092 0.000 0.943 314 K CA -1.687 54.596 56.287 -0.006 0.000 0.862 314 K CB 1.915 34.438 32.500 0.039 0.000 1.376 314 K HN -0.274 nan 8.250 nan 0.000 0.412 315 P HA -0.138 nan 4.420 nan 0.000 0.263 315 P C -1.098 175.793 177.300 -0.683 0.000 1.162 315 P CA 0.375 63.218 63.100 -0.429 0.000 0.758 315 P CB 0.406 31.777 31.700 -0.548 0.000 0.773 316 K N 2.966 123.047 120.400 -0.531 0.000 2.218 316 K HA 0.276 4.596 4.320 0.000 0.000 0.276 316 K C -0.991 175.190 176.600 -0.699 0.000 1.022 316 K CA -0.215 55.772 56.287 -0.499 0.000 0.946 316 K CB 0.278 32.584 32.500 -0.322 0.000 1.000 316 K HN 0.349 nan 8.250 nan 0.000 0.468 317 Y N 2.143 122.303 120.300 -0.234 0.000 2.499 317 Y HA 0.264 4.814 4.550 0.000 0.000 0.347 317 Y C -0.860 174.865 175.900 -0.292 0.000 0.987 317 Y CA -0.890 57.113 58.100 -0.162 0.000 1.044 317 Y CB 1.527 39.949 38.460 -0.065 0.000 1.245 317 Y HN 0.465 nan 8.280 nan 0.000 0.461 318 Y N 0.913 121.353 120.300 0.234 0.000 2.813 318 Y HA 0.138 4.688 4.550 0.000 0.000 0.378 318 Y C 1.444 177.468 175.900 0.208 0.000 1.023 318 Y CA -0.514 57.693 58.100 0.179 0.000 1.567 318 Y CB 0.123 38.667 38.460 0.139 0.000 1.492 318 Y HN 0.722 nan 8.280 nan 0.000 0.533 319 T N -0.303 114.426 114.554 0.293 0.000 2.624 319 T HA -0.321 4.029 4.350 0.000 0.000 0.268 319 T C 2.037 176.945 174.700 0.345 0.000 1.041 319 T CA 1.973 64.265 62.100 0.320 0.000 1.159 319 T CB -0.081 68.914 68.868 0.211 0.000 0.863 319 T HN 0.423 nan 8.240 nan 0.000 0.434 320 M N 1.246 120.992 119.600 0.243 0.000 2.098 320 M HA 0.073 4.553 4.480 0.000 0.000 0.262 320 M C -1.209 175.151 176.300 0.099 0.000 1.072 320 M CA 1.181 56.575 55.300 0.158 0.000 1.133 320 M CB -1.029 31.676 32.600 0.175 0.000 1.344 320 M HN 0.060 nan 8.290 nan 0.000 0.414 321 P HA -0.064 nan 4.420 nan 0.000 0.217 321 P C 1.093 178.476 177.300 0.138 0.000 1.150 321 P CA 2.071 65.234 63.100 0.105 0.000 0.832 321 P CB -0.335 31.522 31.700 0.261 0.000 0.787 322 A N -0.361 122.585 122.820 0.211 0.000 1.865 322 A HA -0.218 4.102 4.320 0.000 0.000 0.217 322 A C 2.165 179.807 177.584 0.097 0.000 1.191 322 A CA 1.798 53.960 52.037 0.208 0.000 0.623 322 A CB -1.762 17.423 19.000 0.308 0.000 0.826 322 A HN 0.165 nan 8.150 nan 0.000 0.444 323 L N -0.077 121.109 121.223 -0.062 0.000 1.971 323 L HA -0.203 4.137 4.340 0.000 0.000 0.215 323 L C 2.408 179.183 176.870 -0.157 0.000 1.072 323 L CA 2.063 56.635 54.840 -0.447 0.000 0.758 323 L CB -0.563 41.078 42.059 -0.698 0.000 0.889 323 L HN 0.450 nan 8.230 nan 0.000 0.433 324 L N -0.806 120.376 121.223 -0.068 0.000 1.961 324 L HA -0.211 4.129 4.340 0.000 0.000 0.210 324 L C 2.723 179.765 176.870 0.287 0.000 1.072 324 L CA 1.522 56.415 54.840 0.088 0.000 0.749 324 L CB -1.227 40.804 42.059 -0.047 0.000 0.889 324 L HN 0.430 nan 8.230 nan 0.000 0.432 325 A N 0.403 123.305 122.820 0.136 0.000 1.883 325 A HA -0.167 4.153 4.320 0.000 0.000 0.217 325 A C 2.376 180.129 177.584 0.282 0.000 1.186 325 A CA 1.975 54.146 52.037 0.224 0.000 0.624 325 A CB -1.464 17.644 19.000 0.179 0.000 0.822 325 A HN 0.500 nan 8.150 nan 0.000 0.444 326 G N -0.702 108.208 108.800 0.183 0.000 2.514 326 G HA2 -0.231 3.729 3.960 0.000 0.000 0.217 326 G HA3 -0.231 3.729 3.960 0.000 0.000 0.217 326 G C 1.862 176.862 174.900 0.166 0.000 1.198 326 G CA 1.514 46.706 45.100 0.155 0.000 0.780 326 G HN 0.518 nan 8.290 nan 0.000 0.565 327 S N -0.608 115.192 115.700 0.167 0.000 2.387 327 S HA -0.051 4.419 4.470 0.000 0.000 0.226 327 S C 1.915 176.671 174.600 0.260 0.000 1.026 327 S CA 0.983 59.299 58.200 0.194 0.000 0.972 327 S CB -0.388 62.906 63.200 0.158 0.000 0.814 327 S HN 0.511 nan 8.310 nan 0.000 0.477 328 Y N 1.018 121.427 120.300 0.182 0.000 2.145 328 Y HA -0.174 4.377 4.550 0.000 0.000 0.286 328 Y C 1.417 177.067 175.900 -0.417 0.000 1.145 328 Y CA 1.516 59.399 58.100 -0.363 0.000 1.148 328 Y CB -0.212 37.711 38.460 -0.895 0.000 0.981 328 Y HN 0.226 nan 8.280 nan 0.000 0.507 329 Y N 1.276 121.661 120.300 0.142 0.000 2.462 329 Y HA 0.121 4.671 4.550 0.000 0.000 0.293 329 Y C 0.334 176.231 175.900 -0.005 0.000 1.195 329 Y CA -0.265 57.863 58.100 0.047 0.000 1.276 329 Y CB -0.198 38.267 38.460 0.009 0.000 1.082 329 Y HN -0.055 nan 8.280 nan 0.000 0.514 330 K N 0.777 121.234 120.400 0.094 0.000 3.177 330 K HA -0.268 4.052 4.320 0.000 0.000 0.266 330 K C -0.768 175.890 176.600 0.096 0.000 0.937 330 K CA 0.866 57.193 56.287 0.067 0.000 0.702 330 K CB -1.455 31.057 32.500 0.021 0.000 1.365 330 K HN 0.448 nan 8.250 nan 0.000 0.466 331 D N 1.184 121.660 120.400 0.126 0.000 2.359 331 D HA 0.113 4.753 4.640 0.000 0.000 0.230 331 D C 0.796 177.154 176.300 0.096 0.000 1.118 331 D CA -0.191 53.888 54.000 0.132 0.000 0.844 331 D CB 0.667 41.551 40.800 0.139 0.000 1.059 331 D HN 0.182 nan 8.370 nan 0.000 0.493 332 E N 2.607 122.831 120.200 0.041 0.000 2.208 332 E HA -0.161 4.189 4.350 0.000 0.000 0.193 332 E C 0.960 177.483 176.600 -0.128 0.000 0.988 332 E CA 0.749 57.107 56.400 -0.070 0.000 0.828 332 E CB 0.211 29.808 29.700 -0.173 0.000 0.763 332 E HN 0.643 nan 8.360 nan 0.000 0.478 333 Y N 0.629 120.915 120.300 -0.023 0.000 2.220 333 Y HA -0.119 4.431 4.550 0.000 0.000 0.291 333 Y C 2.201 178.050 175.900 -0.085 0.000 1.129 333 Y CA 0.766 58.788 58.100 -0.129 0.000 1.161 333 Y CB -0.037 38.227 38.460 -0.328 0.000 0.997 333 Y HN -0.014 nan 8.280 nan 0.000 0.522 334 L N -0.250 121.017 121.223 0.073 0.000 2.291 334 L HA -0.155 4.185 4.340 0.000 0.000 0.214 334 L C 1.898 178.859 176.870 0.152 0.000 1.120 334 L CA 0.840 55.726 54.840 0.077 0.000 0.799 334 L CB -0.431 41.674 42.059 0.077 0.000 0.925 334 L HN 0.259 nan 8.230 nan 0.000 0.446 335 N N 0.018 118.806 118.700 0.147 0.000 2.270 335 N HA -0.233 4.507 4.740 0.000 0.000 0.181 335 N C 1.793 177.428 175.510 0.207 0.000 1.016 335 N CA 1.041 54.198 53.050 0.179 0.000 0.870 335 N CB -0.140 38.424 38.487 0.128 0.000 0.979 335 N HN 0.301 nan 8.380 nan 0.000 0.431 336 Y N 1.097 121.422 120.300 0.042 0.000 2.200 336 Y HA -0.118 4.432 4.550 0.000 0.000 0.290 336 Y C 2.305 178.233 175.900 0.048 0.000 1.137 336 Y CA 1.782 59.891 58.100 0.016 0.000 1.163 336 Y CB -0.333 38.109 38.460 -0.030 0.000 0.988 336 Y HN 0.067 nan 8.280 nan 0.000 0.518 337 E N 0.067 120.389 120.200 0.202 0.000 2.070 337 E HA -0.288 4.062 4.350 0.000 0.000 0.197 337 E C 1.998 178.666 176.600 0.112 0.000 1.004 337 E CA 1.943 58.442 56.400 0.165 0.000 0.805 337 E CB -0.864 28.962 29.700 0.210 0.000 0.744 337 E HN 0.527 nan 8.360 nan 0.000 0.451 338 F N 0.507 120.465 119.950 0.014 0.000 2.146 338 F HA -0.029 4.498 4.527 0.000 0.000 0.298 338 F C 1.715 177.451 175.800 -0.107 0.000 1.096 338 F CA 1.227 59.214 58.000 -0.022 0.000 1.275 338 F CB -0.185 38.821 39.000 0.009 0.000 1.008 338 F HN 0.024 nan 8.300 nan 0.000 0.480 339 L N 0.169 121.234 121.223 -0.262 0.000 2.353 339 L HA -0.184 4.156 4.340 0.000 0.000 0.220 339 L C 2.249 178.842 176.870 -0.462 0.000 1.133 339 L CA 0.999 55.603 54.840 -0.393 0.000 0.798 339 L CB -0.795 41.146 42.059 -0.197 0.000 0.922 339 L HN 0.145 nan 8.230 nan 0.000 0.445 340 K N -0.174 119.949 120.400 -0.462 0.000 2.152 340 K HA -0.155 4.165 4.320 0.000 0.000 0.206 340 K C 0.199 176.423 176.600 -0.627 0.000 1.048 340 K CA 1.101 57.121 56.287 -0.443 0.000 0.933 340 K CB 0.115 32.473 32.500 -0.236 0.000 0.721 340 K HN 0.085 nan 8.250 nan 0.000 0.447 341 D N -1.214 118.737 120.400 -0.748 0.000 2.826 341 D HA 0.065 4.705 4.640 0.000 0.000 0.239 341 D C -2.648 173.239 176.300 -0.689 0.000 1.329 341 D CA -1.356 52.180 54.000 -0.773 0.000 0.854 341 D CB 1.025 41.068 40.800 -1.262 0.000 1.494 341 D HN -0.133 nan 8.370 nan 0.000 0.540 342 P HA 0.159 nan 4.420 nan 0.000 0.246 342 P C -0.727 176.377 177.300 -0.325 0.000 1.686 342 P CA -0.192 62.364 63.100 -0.907 0.000 0.867 342 P CB -0.241 31.078 31.700 -0.635 0.000 1.733 343 N N 0.144 118.706 118.700 -0.230 0.000 2.479 343 N HA 0.231 4.971 4.740 0.000 0.000 0.261 343 N C -0.671 174.845 175.510 0.010 0.000 0.979 343 N CA -0.492 52.511 53.050 -0.077 0.000 0.930 343 N CB 2.500 40.928 38.487 -0.099 0.000 1.172 343 N HN -0.093 nan 8.380 nan 0.000 0.499 344 V N 1.521 121.474 119.914 0.065 0.000 2.716 344 V HA 0.150 4.270 4.120 0.000 0.000 0.304 344 V C 0.449 176.571 176.094 0.046 0.000 1.053 344 V CA -0.670 61.684 62.300 0.091 0.000 0.984 344 V CB 1.870 33.763 31.823 0.116 0.000 1.021 344 V HN 0.470 nan 8.190 nan 0.000 0.467 345 E N 4.494 124.724 120.200 0.050 0.000 2.452 345 E HA 0.059 4.409 4.350 0.000 0.000 0.261 345 E C -1.612 174.991 176.600 0.004 0.000 0.987 345 E CA -1.649 54.788 56.400 0.063 0.000 0.926 345 E CB 0.740 30.532 29.700 0.153 0.000 0.934 345 E HN 0.363 nan 8.360 nan 0.000 0.452 346 P HA -0.240 nan 4.420 nan 0.000 0.219 346 P C 1.194 178.497 177.300 0.006 0.000 1.161 346 P CA 1.862 64.965 63.100 0.006 0.000 0.909 346 P CB -0.150 31.554 31.700 0.007 0.000 0.793 347 H N -1.826 117.199 119.070 -0.076 0.000 2.543 347 H HA -0.011 4.545 4.556 0.000 0.000 0.286 347 H C 0.976 176.302 175.328 -0.003 0.000 1.037 347 H CA 1.099 57.090 56.048 -0.096 0.000 1.250 347 H CB -1.231 28.390 29.762 -0.236 0.000 1.373 347 H HN 0.167 nan 8.280 nan 0.000 0.580 348 C N 0.992 120.072 119.300 -0.367 0.000 2.780 348 C HA 0.160 4.620 4.460 0.000 0.000 0.267 348 C C 2.440 177.431 174.990 0.001 0.000 1.266 348 C CA -0.475 58.475 59.018 -0.114 0.000 1.709 348 C CB 0.076 27.710 27.740 -0.176 0.000 1.975 348 C HN 0.421 nan 8.230 nan 0.000 0.582 349 K N 1.493 121.860 120.400 -0.056 0.000 2.074 349 K HA -0.184 4.136 4.320 0.000 0.000 0.209 349 K C 1.835 178.385 176.600 -0.084 0.000 1.048 349 K CA 1.162 57.420 56.287 -0.049 0.000 0.926 349 K CB -0.757 31.703 32.500 -0.067 0.000 0.713 349 K HN 0.441 nan 8.250 nan 0.000 0.444 350 L N 0.673 121.776 121.223 -0.199 0.000 2.042 350 L HA -0.151 4.189 4.340 0.000 0.000 0.210 350 L C 2.136 178.728 176.870 -0.464 0.000 1.076 350 L CA 1.630 56.276 54.840 -0.323 0.000 0.749 350 L CB -0.656 41.094 42.059 -0.515 0.000 0.893 350 L HN 0.032 nan 8.230 nan 0.000 0.432 351 F N -0.057 119.647 119.950 -0.411 0.000 2.234 351 F HA -0.149 4.378 4.527 0.000 0.000 0.299 351 F C 2.558 177.987 175.800 -0.619 0.000 1.087 351 F CA 1.441 58.934 58.000 -0.845 0.000 1.340 351 F CB -0.548 37.919 39.000 -0.890 0.000 1.031 351 F HN 0.248 nan 8.300 nan 0.000 0.500 352 E N 0.427 120.528 120.200 -0.164 0.000 2.023 352 E HA -0.290 4.060 4.350 0.000 0.000 0.196 352 E C 2.182 178.718 176.600 -0.107 0.000 1.003 352 E CA 1.584 57.906 56.400 -0.129 0.000 0.809 352 E CB -0.397 29.295 29.700 -0.014 0.000 0.755 352 E HN 0.377 nan 8.360 nan 0.000 0.449 353 F N 1.218 121.069 119.950 -0.164 0.000 2.154 353 F HA -0.199 4.328 4.527 0.000 0.000 0.301 353 F C 1.877 177.591 175.800 -0.143 0.000 1.087 353 F CA 1.404 59.341 58.000 -0.105 0.000 1.274 353 F CB -0.009 38.967 39.000 -0.039 0.000 1.009 353 F HN 0.030 nan 8.300 nan 0.000 0.485 354 L N -1.846 119.259 121.223 -0.197 0.000 2.131 354 L HA -0.135 4.205 4.340 0.000 0.000 0.206 354 L C 1.642 178.426 176.870 -0.145 0.000 1.087 354 L CA 0.687 55.370 54.840 -0.262 0.000 0.767 354 L CB -0.584 41.225 42.059 -0.416 0.000 0.917 354 L HN 0.249 nan 8.230 nan 0.000 0.441 355 W N -0.411 120.674 121.300 -0.359 0.000 2.868 355 W HA 0.261 4.921 4.660 0.000 0.000 0.320 355 W C 1.254 177.476 176.519 -0.495 0.000 1.076 355 W CA -0.875 56.081 57.345 -0.647 0.000 1.576 355 W CB -0.193 28.386 29.460 -1.469 0.000 1.030 355 W HN -0.046 nan 8.180 nan 0.000 0.558 356 R N 2.577 122.980 120.500 -0.162 0.000 2.537 356 R HA 0.019 4.359 4.340 0.000 0.000 0.280 356 R C -0.268 175.995 176.300 -0.062 0.000 1.058 356 R CA 0.294 56.307 56.100 -0.145 0.000 1.057 356 R CB 0.395 30.590 30.300 -0.175 0.000 0.973 356 R HN -0.279 nan 8.270 nan 0.000 0.438 357 D N 3.073 123.463 120.400 -0.017 0.000 2.428 357 D HA 0.014 4.654 4.640 0.000 0.000 0.221 357 D C 0.832 177.134 176.300 0.003 0.000 1.123 357 D CA -0.191 53.813 54.000 0.007 0.000 0.869 357 D CB 1.422 42.245 40.800 0.038 0.000 1.032 357 D HN 0.679 nan 8.370 nan 0.000 0.506 358 T N 1.082 115.631 114.554 -0.008 0.000 3.055 358 T HA -0.104 4.246 4.350 0.000 0.000 0.265 358 T C 1.381 176.089 174.700 0.013 0.000 1.111 358 T CA 0.601 62.707 62.100 0.011 0.000 1.118 358 T CB 0.212 69.077 68.868 -0.005 0.000 0.909 358 T HN 0.119 nan 8.240 nan 0.000 0.501 359 Q N 0.110 119.912 119.800 0.003 0.000 2.331 359 Q HA 0.379 4.719 4.340 0.000 0.000 0.203 359 Q C 0.603 176.608 176.000 0.009 0.000 0.944 359 Q CA -0.065 55.739 55.803 0.001 0.000 0.892 359 Q CB -0.547 28.187 28.738 -0.007 0.000 0.983 359 Q HN 0.548 nan 8.270 nan 0.000 0.482 360 L N 0.318 121.552 121.223 0.018 0.000 2.483 360 L HA 0.329 4.669 4.340 0.000 0.000 0.276 360 L C 0.652 177.537 176.870 0.026 0.000 1.213 360 L CA 0.434 55.288 54.840 0.023 0.000 0.843 360 L CB 0.434 42.515 42.059 0.037 0.000 1.107 360 L HN 0.148 nan 8.230 nan 0.000 0.487 361 G N 2.238 111.046 108.800 0.013 0.000 2.543 361 G HA2 0.588 4.548 3.960 0.000 0.000 0.290 361 G HA3 0.588 4.548 3.960 0.000 0.000 0.290 361 G C -1.122 173.787 174.900 0.014 0.000 1.310 361 G CA 0.043 45.147 45.100 0.006 0.000 1.025 361 G HN 0.951 nan 8.290 nan 0.000 0.502 362 S N -1.445 114.263 115.700 0.013 0.000 2.541 362 S HA 0.744 5.214 4.470 0.000 0.000 0.280 362 S C -0.803 173.761 174.600 -0.062 0.000 1.112 362 S CA -0.943 57.287 58.200 0.049 0.000 0.925 362 S CB 2.589 65.905 63.200 0.194 0.000 1.067 362 S HN 0.725 nan 8.310 nan 0.000 0.479 363 R N 0.910 121.268 120.500 -0.237 0.000 2.574 363 R HA 0.438 4.778 4.340 0.000 0.000 0.288 363 R C -1.223 174.623 176.300 -0.757 0.000 1.004 363 R CA -0.711 55.078 56.100 -0.518 0.000 0.895 363 R CB 1.207 31.018 30.300 -0.815 0.000 1.191 363 R HN 0.694 nan 8.270 nan 0.000 0.444 364 K N 4.007 123.852 120.400 -0.925 0.000 2.276 364 K HA 0.150 4.470 4.320 0.000 0.000 0.259 364 K C -1.817 174.490 176.600 -0.489 0.000 1.001 364 K CA -1.280 54.375 56.287 -1.054 0.000 0.927 364 K CB 0.322 32.388 32.500 -0.723 0.000 0.969 364 K HN 0.308 nan 8.250 nan 0.000 0.490 365 P HA 0.020 nan 4.420 nan 0.000 0.249 365 P C -0.509 176.057 177.300 -1.224 0.000 1.229 365 P CA 0.406 62.998 63.100 -0.848 0.000 0.788 365 P CB 0.273 31.213 31.700 -1.267 0.000 1.072 366 D N 1.365 121.331 120.400 -0.723 0.000 2.190 366 D HA -0.182 4.458 4.640 0.000 0.000 0.200 366 D C 1.183 177.319 176.300 -0.273 0.000 0.992 366 D CA 1.575 55.297 54.000 -0.462 0.000 0.854 366 D CB -0.498 40.217 40.800 -0.142 0.000 0.936 366 D HN 0.377 nan 8.370 nan 0.000 0.462 367 D N -0.323 119.952 120.400 -0.209 0.000 2.342 367 D HA -0.016 4.624 4.640 0.000 0.000 0.221 367 D C 0.429 176.714 176.300 -0.025 0.000 1.101 367 D CA -0.203 53.773 54.000 -0.041 0.000 0.837 367 D CB -0.452 40.361 40.800 0.021 0.000 0.938 367 D HN 0.186 nan 8.370 nan 0.000 0.508 368 L N 0.488 121.596 121.223 -0.192 0.000 2.452 368 L HA 0.269 4.609 4.340 0.000 0.000 0.267 368 L C -1.960 175.058 176.870 0.247 0.000 1.188 368 L CA -1.754 53.057 54.840 -0.048 0.000 0.821 368 L CB 0.248 42.143 42.059 -0.273 0.000 1.102 368 L HN -0.225 nan 8.230 nan 0.000 0.470 369 P HA 0.038 nan 4.420 nan 0.000 0.269 369 P C 0.420 177.906 177.300 0.310 0.000 1.215 369 P CA -0.102 63.140 63.100 0.237 0.000 0.780 369 P CB 0.522 32.328 31.700 0.177 0.000 0.898 370 L N -0.204 121.100 121.223 0.135 0.000 2.552 370 L HA 0.052 4.392 4.340 0.000 0.000 0.227 370 L C 0.585 177.429 176.870 -0.043 0.000 1.146 370 L CA 1.010 55.870 54.840 0.032 0.000 0.858 370 L CB -0.214 41.808 42.059 -0.062 0.000 0.969 370 L HN 0.309 nan 8.230 nan 0.000 0.451 371 S N -0.527 115.041 115.700 -0.220 0.000 2.548 371 S HA 0.606 5.076 4.470 0.000 0.000 0.286 371 S C -0.664 173.636 174.600 -0.499 0.000 1.098 371 S CA -0.652 57.263 58.200 -0.475 0.000 0.930 371 S CB 2.833 65.468 63.200 -0.943 0.000 1.070 371 S HN 0.129 nan 8.310 nan 0.000 0.480 372 R N 1.567 121.819 120.500 -0.413 0.000 2.574 372 R HA 0.417 4.757 4.340 0.000 0.000 0.288 372 R C -2.128 174.141 176.300 -0.051 0.000 1.004 372 R CA -0.597 55.306 56.100 -0.329 0.000 0.895 372 R CB 1.231 31.039 30.300 -0.819 0.000 1.191 372 R HN 0.695 nan 8.270 nan 0.000 0.444 373 Y N 1.992 122.286 120.300 -0.010 0.000 2.360 373 Y HA 0.462 5.012 4.550 0.000 0.000 0.337 373 Y C -1.168 174.725 175.900 -0.011 0.000 1.039 373 Y CA -0.579 57.547 58.100 0.043 0.000 1.109 373 Y CB 2.023 40.563 38.460 0.134 0.000 1.201 373 Y HN 0.456 nan 8.280 nan 0.000 0.458 374 S N 4.955 120.249 115.700 -0.677 0.000 2.594 374 S HA 0.520 4.990 4.470 0.000 0.000 0.322 374 S C 0.414 174.416 174.600 -0.997 0.000 1.085 374 S CA -0.462 57.327 58.200 -0.685 0.000 1.116 374 S CB 0.852 63.816 63.200 -0.392 0.000 0.979 374 S HN 1.094 nan 8.310 nan 0.000 0.465 375 G N 2.017 110.235 108.800 -0.969 0.000 2.468 375 G HA2 0.278 4.238 3.960 0.000 0.000 0.264 375 G HA3 0.278 4.238 3.960 0.000 0.000 0.264 375 G C 0.017 174.715 174.900 -0.337 0.000 1.460 375 G CA -0.610 44.146 45.100 -0.573 0.000 1.060 375 G HN 0.619 nan 8.290 nan 0.000 0.543 376 S N 1.598 117.146 115.700 -0.254 0.000 2.573 376 S HA 0.152 4.622 4.470 0.000 0.000 0.297 376 S C -1.558 172.677 174.600 -0.607 0.000 1.280 376 S CA -0.081 57.916 58.200 -0.339 0.000 1.061 376 S CB 1.138 64.191 63.200 -0.245 0.000 0.812 376 S HN 0.476 nan 8.310 nan 0.000 0.500 377 P HA 0.254 nan 4.420 nan 0.000 0.259 377 P C -0.071 176.858 177.300 -0.619 0.000 1.530 377 P CA 0.046 62.760 63.100 -0.644 0.000 1.022 377 P CB -0.063 31.197 31.700 -0.732 0.000 1.514 378 F N 0.355 120.013 119.950 -0.487 0.000 2.293 378 F HA 0.415 4.942 4.527 0.000 0.000 0.272 378 F C 1.624 177.073 175.800 -0.585 0.000 1.053 378 F CA 0.755 58.217 58.000 -0.896 0.000 1.152 378 F CB -1.037 36.932 39.000 -1.719 0.000 1.119 378 F HN -0.006 nan 8.300 nan 0.000 0.564 379 G N 0.630 109.282 108.800 -0.248 0.000 2.470 379 G HA2 -0.207 3.753 3.960 0.000 0.000 0.286 379 G HA3 -0.207 3.753 3.960 0.000 0.000 0.286 379 G C -1.115 173.974 174.900 0.315 0.000 1.115 379 G CA -0.573 44.575 45.100 0.079 0.000 1.122 379 G HN 0.170 nan 8.290 nan 0.000 0.522 380 W N 0.740 122.074 121.300 0.056 0.000 2.785 380 W HA 0.778 5.438 4.660 0.000 0.000 0.333 380 W C -0.077 176.463 176.519 0.035 0.000 1.062 380 W CA -1.812 55.534 57.345 0.001 0.000 1.233 380 W CB 1.496 30.899 29.460 -0.095 0.000 1.413 380 W HN 0.130 nan 8.180 nan 0.000 0.489 381 M N 4.147 123.870 119.600 0.206 0.000 2.311 381 M HA 0.371 4.851 4.480 0.000 0.000 0.325 381 M C -0.965 175.308 176.300 -0.044 0.000 1.061 381 M CA -1.048 54.316 55.300 0.108 0.000 0.957 381 M CB 1.999 34.649 32.600 0.084 0.000 1.646 381 M HN 0.317 nan 8.290 nan 0.000 0.434 382 I N 3.122 123.635 120.570 -0.095 0.000 2.389 382 I HA 0.670 4.840 4.170 0.000 0.000 0.288 382 I C -0.872 175.121 176.117 -0.207 0.000 0.999 382 I CA -0.346 60.865 61.300 -0.148 0.000 1.129 382 I CB 1.297 39.236 38.000 -0.101 0.000 1.288 382 I HN 0.749 nan 8.210 nan 0.000 0.444 383 A N 8.032 130.658 122.820 -0.324 0.000 2.343 383 A HA 0.912 5.232 4.320 0.000 0.000 0.316 383 A C -0.437 176.864 177.584 -0.472 0.000 1.104 383 A CA -0.693 51.068 52.037 -0.460 0.000 0.768 383 A CB 1.019 19.542 19.000 -0.794 0.000 1.213 383 A HN 0.710 nan 8.150 nan 0.000 0.456 384 R N 0.475 120.785 120.500 -0.317 0.000 2.939 384 R HA 0.676 5.016 4.340 0.000 0.000 0.254 384 R C 0.308 176.532 176.300 -0.125 0.000 1.123 384 R CA -0.154 55.779 56.100 -0.280 0.000 1.020 384 R CB 1.374 31.365 30.300 -0.515 0.000 1.206 384 R HN 0.697 nan 8.270 nan 0.000 0.491 385 T N -2.764 111.748 114.554 -0.072 0.000 3.129 385 T HA 0.417 4.767 4.350 0.000 0.000 0.267 385 T C 0.559 175.217 174.700 -0.070 0.000 1.018 385 T CA 0.079 62.176 62.100 -0.006 0.000 0.903 385 T CB 0.536 69.441 68.868 0.061 0.000 1.067 385 T HN 0.814 nan 8.240 nan 0.000 0.549 386 G N -0.052 108.606 108.800 -0.237 0.000 2.333 386 G HA2 0.359 4.319 3.960 0.000 0.000 0.288 386 G HA3 0.359 4.319 3.960 0.000 0.000 0.288 386 G C -1.565 173.044 174.900 -0.485 0.000 1.286 386 G CA -0.742 44.226 45.100 -0.220 0.000 0.865 386 G HN 0.175 nan 8.290 nan 0.000 0.506 387 W N 0.198 121.506 121.300 0.013 0.000 2.534 387 W HA 0.515 5.175 4.660 0.000 0.000 0.339 387 W C 1.139 177.665 176.519 0.013 0.000 0.961 387 W CA 0.331 57.667 57.345 -0.014 0.000 1.545 387 W CB 1.346 30.777 29.460 -0.048 0.000 1.104 387 W HN 0.841 nan 8.180 nan 0.000 0.538 388 G N 0.658 109.570 108.800 0.187 0.000 2.736 388 G HA2 0.298 4.258 3.960 0.000 0.000 0.229 388 G HA3 0.298 4.258 3.960 0.000 0.000 0.229 388 G C -1.596 173.374 174.900 0.116 0.000 1.380 388 G CA -0.615 44.573 45.100 0.146 0.000 1.040 388 G HN -0.315 nan 8.290 nan 0.000 0.568 389 P HA -0.033 nan 4.420 nan 0.000 0.219 389 P C 1.003 178.360 177.300 0.095 0.000 1.146 389 P CA 0.930 64.081 63.100 0.085 0.000 0.808 389 P CB 0.237 31.976 31.700 0.064 0.000 0.779 390 E N -0.339 119.943 120.200 0.136 0.000 2.403 390 E HA 0.096 4.446 4.350 0.000 0.000 0.187 390 E C 0.031 176.850 176.600 0.364 0.000 1.073 390 E CA 0.191 56.736 56.400 0.241 0.000 0.888 390 E CB -0.334 29.491 29.700 0.207 0.000 1.035 390 E HN 0.235 nan 8.360 nan 0.000 0.471 391 S N 0.981 116.833 115.700 0.254 0.000 2.505 391 S HA 0.195 4.665 4.470 0.000 0.000 0.276 391 S C 0.448 175.295 174.600 0.412 0.000 1.274 391 S CA -0.482 57.843 58.200 0.207 0.000 1.053 391 S CB 1.719 64.930 63.200 0.018 0.000 0.919 391 S HN -0.055 nan 8.310 nan 0.000 0.490 392 V N 4.630 124.724 119.914 0.299 0.000 2.649 392 V HA 0.314 4.434 4.120 0.000 0.000 0.292 392 V C 0.064 176.246 176.094 0.147 0.000 1.055 392 V CA -0.212 62.267 62.300 0.298 0.000 1.023 392 V CB 0.653 32.590 31.823 0.190 0.000 0.992 392 V HN 0.724 nan 8.190 nan 0.000 0.480 393 I N 4.019 124.690 120.570 0.169 0.000 2.439 393 I HA 0.661 4.831 4.170 0.000 0.000 0.283 393 I C 0.054 176.169 176.117 -0.005 0.000 1.023 393 I CA -0.292 61.009 61.300 0.003 0.000 1.100 393 I CB 1.626 39.611 38.000 -0.025 0.000 1.238 393 I HN 0.665 nan 8.210 nan 0.000 0.445 394 A N 5.625 128.329 122.820 -0.195 0.000 2.342 394 A HA 0.707 5.027 4.320 0.000 0.000 0.323 394 A C -0.749 176.728 177.584 -0.178 0.000 1.125 394 A CA -0.493 51.437 52.037 -0.178 0.000 0.785 394 A CB 1.452 20.186 19.000 -0.443 0.000 1.221 394 A HN 0.712 nan 8.150 nan 0.000 0.463 395 E N 2.437 122.598 120.200 -0.064 0.000 2.199 395 E HA 0.637 4.987 4.350 0.000 0.000 0.265 395 E C -1.496 175.022 176.600 -0.137 0.000 0.882 395 E CA -0.399 55.932 56.400 -0.115 0.000 0.759 395 E CB 1.196 30.825 29.700 -0.118 0.000 1.148 395 E HN 0.699 nan 8.360 nan 0.000 0.412 396 M N 3.627 123.064 119.600 -0.272 0.000 2.326 396 M HA 0.447 4.927 4.480 0.000 0.000 0.306 396 M C -1.001 175.023 176.300 -0.460 0.000 1.054 396 M CA -0.534 54.385 55.300 -0.636 0.000 0.922 396 M CB 2.245 34.316 32.600 -0.881 0.000 1.632 396 M HN 0.138 nan 8.290 nan 0.000 0.436 397 K N 1.858 122.028 120.400 -0.384 0.000 2.468 397 K HA 0.575 4.895 4.320 0.000 0.000 0.252 397 K C -0.391 176.384 176.600 0.292 0.000 0.932 397 K CA -0.701 55.609 56.287 0.038 0.000 0.794 397 K CB 3.035 35.422 32.500 -0.189 0.000 1.241 397 K HN 0.394 nan 8.250 nan 0.000 0.428 398 V N 0.857 121.029 119.914 0.429 0.000 2.599 398 V HA -0.019 4.101 4.120 0.000 0.000 0.237 398 V C -0.421 175.876 176.094 0.339 0.000 1.081 398 V CA 0.229 62.752 62.300 0.371 0.000 1.107 398 V CB -0.579 31.431 31.823 0.312 0.000 0.808 398 V HN 0.952 nan 8.190 nan 0.000 0.486 399 N N 0.678 119.623 118.700 0.407 0.000 2.372 399 N HA -0.144 4.596 4.740 0.000 0.000 0.282 399 N C 0.274 175.882 175.510 0.164 0.000 1.425 399 N CA 0.660 53.921 53.050 0.352 0.000 0.663 399 N CB -0.912 37.791 38.487 0.360 0.000 0.903 399 N HN 0.579 nan 8.380 nan 0.000 0.495 400 E N -0.150 120.101 120.200 0.086 0.000 2.158 400 E HA -0.029 4.321 4.350 0.000 0.000 0.191 400 E C -0.250 176.239 176.600 -0.186 0.000 0.982 400 E CA 1.038 57.426 56.400 -0.021 0.000 0.823 400 E CB 0.223 29.936 29.700 0.021 0.000 0.766 400 E HN 0.576 nan 8.360 nan 0.000 0.468 401 Y N -0.893 119.403 120.300 -0.007 0.000 2.545 401 Y HA 0.312 4.862 4.550 0.000 0.000 0.348 401 Y C -0.259 175.636 175.900 -0.008 0.000 1.002 401 Y CA -0.908 57.166 58.100 -0.045 0.000 1.039 401 Y CB 2.249 40.619 38.460 -0.150 0.000 1.271 401 Y HN -0.292 nan 8.280 nan 0.000 0.467 402 S N 1.172 116.954 115.700 0.138 0.000 2.475 402 S HA 0.459 4.929 4.470 0.000 0.000 0.298 402 S C -0.363 174.242 174.600 0.008 0.000 1.119 402 S CA -0.424 57.884 58.200 0.180 0.000 1.085 402 S CB 0.275 63.609 63.200 0.223 0.000 1.028 402 S HN 0.560 nan 8.310 nan 0.000 0.489 403 F N 3.893 123.877 119.950 0.057 0.000 2.721 403 F HA 0.361 4.888 4.527 0.000 0.000 0.301 403 F C 0.808 176.585 175.800 -0.038 0.000 1.096 403 F CA -0.197 57.732 58.000 -0.119 0.000 1.308 403 F CB -0.322 38.447 39.000 -0.386 0.000 1.086 403 F HN 0.482 nan 8.300 nan 0.000 0.587 404 L N -0.459 120.908 121.223 0.240 0.000 7.603 404 L HA -0.416 3.924 4.340 0.000 0.000 0.092 404 L C 1.261 178.181 176.870 0.083 0.000 1.252 404 L CA 1.352 56.300 54.840 0.180 0.000 1.482 404 L CB -1.569 40.579 42.059 0.149 0.000 2.830 404 L HN 0.458 nan 8.230 nan 0.000 1.159 405 N N -2.888 115.770 118.700 -0.071 0.000 1.424 405 N HA -0.328 4.412 4.740 0.000 0.000 0.147 405 N C 0.992 176.425 175.510 -0.129 0.000 0.709 405 N CA 1.501 54.428 53.050 -0.205 0.000 1.052 405 N CB -0.820 37.524 38.487 -0.239 0.000 1.281 405 N HN 0.778 nan 8.380 nan 0.000 0.478 406 H N 0.960 120.046 119.070 0.027 0.000 2.548 406 H HA 0.083 4.639 4.556 0.000 0.000 0.268 406 H C 0.861 176.239 175.328 0.083 0.000 0.975 406 H CA 0.686 56.749 56.048 0.025 0.000 1.195 406 H CB -0.121 29.521 29.762 -0.200 0.000 1.397 406 H HN 0.399 nan 8.280 nan 0.000 0.572 407 Q N 0.635 120.567 119.800 0.221 0.000 2.368 407 Q HA 0.124 4.464 4.340 0.000 0.000 0.237 407 Q C -0.569 175.596 176.000 0.275 0.000 0.987 407 Q CA -0.141 55.764 55.803 0.171 0.000 0.896 407 Q CB 0.826 29.726 28.738 0.270 0.000 1.241 407 Q HN 0.486 nan 8.270 nan 0.000 0.485 408 H N 0.965 120.075 119.070 0.067 0.000 2.567 408 H HA 0.186 4.742 4.556 0.000 0.000 0.345 408 H C -0.567 174.751 175.328 -0.017 0.000 1.169 408 H CA -1.275 54.784 56.048 0.018 0.000 1.227 408 H CB 1.204 30.922 29.762 -0.073 0.000 1.607 408 H HN 0.471 nan 8.280 nan 0.000 0.534 409 Q N 2.715 122.585 119.800 0.116 0.000 3.004 409 Q HA 0.021 4.361 4.340 0.000 0.000 0.256 409 Q C -0.341 175.545 176.000 -0.190 0.000 1.387 409 Q CA 0.021 55.810 55.803 -0.024 0.000 0.962 409 Q CB -0.699 27.994 28.738 -0.075 0.000 1.676 409 Q HN 0.612 nan 8.270 nan 0.000 0.568 410 D N -1.310 118.947 120.400 -0.237 0.000 2.804 410 D HA 0.227 4.867 4.640 0.000 0.000 0.308 410 D C -0.113 176.080 176.300 -0.179 0.000 1.371 410 D CA -0.664 53.059 54.000 -0.462 0.000 0.823 410 D CB -0.028 40.225 40.800 -0.911 0.000 1.126 410 D HN 0.163 nan 8.370 nan 0.000 0.467 411 A N -0.213 122.577 122.820 -0.049 0.000 2.462 411 A HA 0.549 4.869 4.320 0.000 0.000 0.243 411 A C 1.759 179.436 177.584 0.156 0.000 1.076 411 A CA 0.553 52.642 52.037 0.088 0.000 0.773 411 A CB -0.107 18.956 19.000 0.105 0.000 1.010 411 A HN 0.971 nan 8.150 nan 0.000 0.493 412 G N 0.611 109.571 108.800 0.267 0.000 2.304 412 G HA2 0.080 4.040 3.960 0.000 0.000 0.252 412 G HA3 0.080 4.040 3.960 0.000 0.000 0.252 412 G C 0.833 176.006 174.900 0.456 0.000 1.014 412 G CA 0.627 45.968 45.100 0.400 0.000 0.619 412 G HN 2.353 nan 8.290 nan 0.000 0.525 413 A N 0.467 123.412 122.820 0.207 0.000 2.587 413 A HA 0.501 4.821 4.320 0.000 0.000 0.235 413 A C 0.218 177.921 177.584 0.198 0.000 1.044 413 A CA 1.206 53.306 52.037 0.106 0.000 0.754 413 A CB -0.317 18.654 19.000 -0.048 0.000 0.968 413 A HN 1.824 nan 8.150 nan 0.000 0.509 414 F N -0.349 119.686 119.950 0.143 0.000 2.579 414 F HA 0.782 5.309 4.527 0.000 0.000 0.324 414 F C -0.437 175.406 175.800 0.073 0.000 1.058 414 F CA -1.005 57.047 58.000 0.088 0.000 0.944 414 F CB 1.773 40.917 39.000 0.240 0.000 1.245 414 F HN 0.624 nan 8.300 nan 0.000 0.477 415 Q N 2.544 122.483 119.800 0.231 0.000 2.289 415 Q HA 0.662 5.002 4.340 0.000 0.000 0.270 415 Q C -2.073 174.067 176.000 0.232 0.000 1.038 415 Q CA -0.636 55.258 55.803 0.152 0.000 0.812 415 Q CB 2.562 31.332 28.738 0.055 0.000 1.300 415 Q HN 0.894 nan 8.270 nan 0.000 0.427 416 I N 3.718 124.446 120.570 0.264 0.000 2.478 416 I HA 0.361 4.531 4.170 0.000 0.000 0.287 416 I C -1.374 174.908 176.117 0.275 0.000 1.042 416 I CA -0.929 60.534 61.300 0.273 0.000 1.067 416 I CB 1.770 39.961 38.000 0.319 0.000 1.233 416 I HN 0.638 nan 8.210 nan 0.000 0.431 417 Y N 7.479 127.864 120.300 0.142 0.000 2.393 417 Y HA 0.612 5.162 4.550 0.000 0.000 0.341 417 Y C -1.742 174.285 175.900 0.212 0.000 0.988 417 Y CA -0.833 57.350 58.100 0.137 0.000 1.078 417 Y CB 1.605 40.117 38.460 0.087 0.000 1.203 417 Y HN 0.540 nan 8.280 nan 0.000 0.453 418 Y N 6.119 126.323 120.300 -0.160 0.000 2.358 418 Y HA 0.266 4.816 4.550 0.000 0.000 0.324 418 Y C -0.670 175.047 175.900 -0.305 0.000 1.123 418 Y CA -1.780 56.292 58.100 -0.047 0.000 1.067 418 Y CB 1.027 39.519 38.460 0.053 0.000 1.230 418 Y HN 0.771 nan 8.280 nan 0.000 0.429 419 K N 4.107 124.054 120.400 -0.754 0.000 3.177 419 K HA -0.163 4.157 4.320 0.000 0.000 0.266 419 K C 0.196 176.427 176.600 -0.615 0.000 0.937 419 K CA 1.299 57.217 56.287 -0.615 0.000 0.702 419 K CB -1.655 30.444 32.500 -0.668 0.000 1.365 419 K HN 1.468 nan 8.250 nan 0.000 0.466 420 G N -0.635 107.433 108.800 -1.220 0.000 2.428 420 G HA2 0.004 3.964 3.960 0.000 0.000 0.681 420 G HA3 0.004 3.964 3.960 0.000 0.000 0.681 420 G C -3.243 171.138 174.900 -0.865 0.000 1.340 420 G CA -1.139 43.463 45.100 -0.831 0.000 0.915 420 G HN -0.092 nan 8.290 nan 0.000 0.645 421 P HA 0.491 nan 4.420 nan 0.000 0.271 421 P C 0.536 177.825 177.300 -0.019 0.000 1.216 421 P CA -0.195 62.897 63.100 -0.013 0.000 0.771 421 P CB 0.929 32.675 31.700 0.076 0.000 0.864 422 L N 2.037 123.293 121.223 0.054 0.000 3.031 422 L HA 0.399 4.739 4.340 0.000 0.000 0.167 422 L C 0.961 177.912 176.870 0.135 0.000 1.203 422 L CA -0.051 54.839 54.840 0.083 0.000 0.857 422 L CB -0.774 41.347 42.059 0.103 0.000 1.368 422 L HN 0.177 nan 8.230 nan 0.000 0.534 423 A N 2.060 124.990 122.820 0.184 0.000 2.343 423 A HA 0.521 4.841 4.320 0.000 0.000 0.305 423 A C -0.208 177.449 177.584 0.122 0.000 1.308 423 A CA -0.293 51.858 52.037 0.190 0.000 0.949 423 A CB -0.806 18.400 19.000 0.344 0.000 1.148 423 A HN 0.362 nan 8.150 nan 0.000 0.545 424 I N -0.620 120.008 120.570 0.096 0.000 2.793 424 I HA 0.550 4.720 4.170 0.000 0.000 0.313 424 I C -0.380 175.738 176.117 0.002 0.000 0.998 424 I CA -0.883 60.462 61.300 0.074 0.000 1.140 424 I CB 1.501 39.553 38.000 0.088 0.000 1.327 424 I HN 0.375 nan 8.210 nan 0.000 0.491 425 D N 3.635 124.049 120.400 0.023 0.000 2.359 425 D HA 0.538 5.178 4.640 0.000 0.000 0.230 425 D C -0.493 175.829 176.300 0.036 0.000 1.118 425 D CA -0.045 53.938 54.000 -0.028 0.000 0.844 425 D CB 1.618 42.457 40.800 0.065 0.000 1.059 425 D HN 0.811 nan 8.370 nan 0.000 0.493 426 A N 2.196 124.944 122.820 -0.119 0.000 2.269 426 A HA 0.881 5.201 4.320 0.000 0.000 0.319 426 A C 0.685 178.594 177.584 0.541 0.000 1.110 426 A CA 0.316 52.454 52.037 0.169 0.000 0.847 426 A CB 0.872 19.905 19.000 0.056 0.000 1.161 426 A HN 0.891 nan 8.150 nan 0.000 0.497 427 G N -1.141 108.110 108.800 0.751 0.000 2.631 427 G HA2 0.402 4.362 3.960 0.000 0.000 0.504 427 G HA3 0.402 4.362 3.960 0.000 0.000 0.504 427 G C -0.196 174.917 174.900 0.354 0.000 1.306 427 G CA 0.216 45.748 45.100 0.721 0.000 0.897 427 G HN 2.208 nan 8.290 nan 0.000 0.520 428 S N -2.190 113.249 115.700 -0.434 0.000 2.550 428 S HA 0.577 5.047 4.470 0.000 0.000 0.270 428 S C 0.461 174.408 174.600 -1.088 0.000 1.145 428 S CA 0.545 58.357 58.200 -0.647 0.000 0.852 428 S CB 1.439 64.559 63.200 -0.134 0.000 1.119 428 S HN 1.749 nan 8.310 nan 0.000 0.465 429 Y N 3.665 123.477 120.300 -0.812 0.000 2.163 429 Y HA 0.098 4.648 4.550 0.000 0.000 0.288 429 Y C 1.354 177.135 175.900 -0.197 0.000 1.136 429 Y CA 2.255 60.138 58.100 -0.362 0.000 1.147 429 Y CB -0.484 38.007 38.460 0.053 0.000 0.987 429 Y HN 0.789 nan 8.280 nan 0.000 0.509 430 T N -1.740 112.667 114.554 -0.246 0.000 2.940 430 T HA 0.768 5.118 4.350 0.000 0.000 0.288 430 T C 0.202 174.771 174.700 -0.217 0.000 1.045 430 T CA -0.250 61.696 62.100 -0.256 0.000 1.018 430 T CB 1.833 70.612 68.868 -0.149 0.000 1.151 430 T HN 0.650 nan 8.240 nan 0.000 0.529 431 G N 0.237 108.936 108.800 -0.169 0.000 2.356 431 G HA2 0.267 4.227 3.960 0.000 0.000 0.266 431 G HA3 0.267 4.227 3.960 0.000 0.000 0.266 431 G C 0.609 175.445 174.900 -0.105 0.000 1.312 431 G CA 0.182 45.199 45.100 -0.138 0.000 0.922 431 G HN 1.366 nan 8.290 nan 0.000 0.480 432 S N -0.500 115.149 115.700 -0.085 0.000 2.474 432 S HA 0.011 4.481 4.470 0.000 0.000 0.235 432 S C 2.180 176.754 174.600 -0.043 0.000 0.997 432 S CA 2.144 60.315 58.200 -0.048 0.000 0.949 432 S CB 0.059 63.244 63.200 -0.024 0.000 0.766 432 S HN 1.145 nan 8.310 nan 0.000 0.517 433 S N 0.777 116.434 115.700 -0.072 0.000 2.414 433 S HA 0.449 4.919 4.470 0.000 0.000 0.227 433 S C 1.075 175.656 174.600 -0.032 0.000 1.022 433 S CA 0.904 59.085 58.200 -0.032 0.000 0.958 433 S CB -0.577 62.614 63.200 -0.016 0.000 0.797 433 S HN 1.135 nan 8.310 nan 0.000 0.493 434 G N -0.902 107.857 108.800 -0.069 0.000 2.265 434 G HA2 0.259 4.219 3.960 0.000 0.000 0.246 434 G HA3 0.259 4.219 3.960 0.000 0.000 0.246 434 G C 0.119 174.951 174.900 -0.115 0.000 1.299 434 G CA -0.275 44.789 45.100 -0.060 0.000 1.117 434 G HN 0.703 nan 8.290 nan 0.000 0.485 435 G N -1.736 107.009 108.800 -0.092 0.000 3.022 435 G HA2 0.475 4.435 3.960 0.000 0.000 0.157 435 G HA3 0.475 4.435 3.960 0.000 0.000 0.157 435 G C 0.982 175.770 174.900 -0.187 0.000 1.468 435 G CA 0.930 45.923 45.100 -0.179 0.000 1.058 435 G HN 1.106 nan 8.290 nan 0.000 0.581 436 Y N 0.959 121.136 120.300 -0.205 0.000 2.165 436 Y HA -0.137 4.413 4.550 0.000 0.000 0.286 436 Y C 2.274 178.263 175.900 0.149 0.000 1.155 436 Y CA 2.271 60.392 58.100 0.035 0.000 1.164 436 Y CB 0.120 38.667 38.460 0.144 0.000 0.978 436 Y HN 0.235 nan 8.280 nan 0.000 0.513 437 N N 0.730 119.563 118.700 0.221 0.000 2.370 437 N HA 0.002 4.742 4.740 0.000 0.000 0.198 437 N C 0.203 175.751 175.510 0.063 0.000 1.156 437 N CA 0.706 53.874 53.050 0.197 0.000 0.839 437 N CB -0.298 38.297 38.487 0.180 0.000 0.989 437 N HN 0.303 nan 8.380 nan 0.000 0.468 438 S N 0.571 116.279 115.700 0.013 0.000 2.593 438 S HA 0.242 4.712 4.470 0.000 0.000 0.269 438 S C -1.628 172.958 174.600 -0.022 0.000 1.334 438 S CA -0.935 57.265 58.200 0.000 0.000 1.015 438 S CB 1.542 64.733 63.200 -0.016 0.000 0.912 438 S HN -0.135 nan 8.310 nan 0.000 0.541 439 P HA -0.076 nan 4.420 nan 0.000 0.220 439 P C 1.168 178.420 177.300 -0.080 0.000 1.148 439 P CA 1.329 64.423 63.100 -0.010 0.000 0.803 439 P CB -0.143 31.656 31.700 0.165 0.000 0.782 440 H N -0.476 118.551 119.070 -0.072 0.000 2.353 440 H HA -0.078 4.478 4.556 0.000 0.000 0.300 440 H C 1.973 177.260 175.328 -0.070 0.000 1.090 440 H CA 1.687 57.674 56.048 -0.102 0.000 1.327 440 H CB -0.311 29.329 29.762 -0.204 0.000 1.383 440 H HN -0.035 nan 8.280 nan 0.000 0.508 441 N N 0.478 119.182 118.700 0.008 0.000 2.039 441 N HA -0.136 4.604 4.740 0.000 0.000 0.193 441 N C 1.752 177.180 175.510 -0.137 0.000 1.044 441 N CA 1.436 54.496 53.050 0.016 0.000 0.847 441 N CB -0.128 38.358 38.487 -0.002 0.000 1.030 441 N HN 0.418 nan 8.380 nan 0.000 0.422 442 K N 0.522 120.761 120.400 -0.268 0.000 2.103 442 K HA -0.019 4.301 4.320 0.000 0.000 0.207 442 K C 1.012 177.458 176.600 -0.258 0.000 1.048 442 K CA 1.002 57.138 56.287 -0.252 0.000 0.930 442 K CB 0.062 32.366 32.500 -0.327 0.000 0.716 442 K HN 0.203 nan 8.250 nan 0.000 0.444 443 N N -1.497 116.943 118.700 -0.434 0.000 2.197 443 N HA 0.066 4.806 4.740 0.000 0.000 0.201 443 N C 0.512 175.756 175.510 -0.443 0.000 1.148 443 N CA 0.343 53.015 53.050 -0.630 0.000 0.883 443 N CB 0.680 38.373 38.487 -1.324 0.000 1.012 443 N HN 0.083 nan 8.380 nan 0.000 0.507 444 F N -0.955 118.694 119.950 -0.501 0.000 1.901 444 F HA 0.212 4.739 4.527 0.000 0.000 0.239 444 F C 1.578 177.182 175.800 -0.328 0.000 1.133 444 F CA -0.421 57.345 58.000 -0.390 0.000 1.271 444 F CB -0.447 38.283 39.000 -0.450 0.000 1.652 444 F HN -0.226 nan 8.300 nan 0.000 0.543 445 F N 2.469 122.215 119.950 -0.339 0.000 2.087 445 F HA -0.163 4.364 4.527 0.000 0.000 0.299 445 F C 2.006 177.472 175.800 -0.555 0.000 1.100 445 F CA 2.096 59.919 58.000 -0.294 0.000 1.226 445 F CB -0.441 38.502 39.000 -0.096 0.000 0.983 445 F HN -0.062 nan 8.300 nan 0.000 0.479 446 K N -0.331 119.775 120.400 -0.490 0.000 2.459 446 K HA 0.019 4.339 4.320 0.000 0.000 0.193 446 K C 0.477 176.944 176.600 -0.222 0.000 1.030 446 K CA 0.026 55.957 56.287 -0.593 0.000 1.026 446 K CB 0.272 32.755 32.500 -0.028 0.000 0.809 446 K HN 0.060 nan 8.250 nan 0.000 0.504 447 R N -0.084 120.260 120.500 -0.260 0.000 2.596 447 R HA 0.161 4.501 4.340 0.000 0.000 0.267 447 R C 1.258 177.470 176.300 -0.147 0.000 1.026 447 R CA -0.232 55.720 56.100 -0.247 0.000 1.087 447 R CB 0.365 30.446 30.300 -0.365 0.000 1.132 447 R HN -0.148 nan 8.270 nan 0.000 0.531 448 T N 1.232 115.690 114.554 -0.160 0.000 2.746 448 T HA -0.100 4.250 4.350 0.000 0.000 0.267 448 T C 1.807 176.494 174.700 -0.022 0.000 1.039 448 T CA 1.085 63.145 62.100 -0.067 0.000 1.142 448 T CB -0.148 68.656 68.868 -0.107 0.000 0.866 448 T HN 0.502 nan 8.240 nan 0.000 0.444 449 I N 1.019 121.507 120.570 -0.136 0.000 2.502 449 I HA -0.209 3.961 4.170 0.000 0.000 0.258 449 I C 2.202 178.167 176.117 -0.254 0.000 1.172 449 I CA 0.905 62.129 61.300 -0.127 0.000 1.430 449 I CB -0.183 37.745 38.000 -0.119 0.000 1.086 449 I HN 0.206 nan 8.210 nan 0.000 0.440 450 A N -1.056 121.386 122.820 -0.629 0.000 2.238 450 A HA 0.055 4.375 4.320 0.000 0.000 0.208 450 A C 0.360 177.345 177.584 -0.999 0.000 1.177 450 A CA 0.396 51.792 52.037 -1.068 0.000 0.804 450 A CB -0.517 17.737 19.000 -1.244 0.000 0.823 450 A HN 0.545 nan 8.150 nan 0.000 0.482 451 H N -1.472 117.387 119.070 -0.352 0.000 2.797 451 H HA 0.392 4.948 4.556 0.000 0.000 0.362 451 H C -0.523 174.740 175.328 -0.108 0.000 1.183 451 H CA -1.127 54.766 56.048 -0.259 0.000 1.197 451 H CB 0.601 30.253 29.762 -0.183 0.000 1.835 451 H HN 0.059 nan 8.280 nan 0.000 0.567 452 N N 0.761 119.388 118.700 -0.123 0.000 3.124 452 N HA 0.126 4.866 4.740 0.000 0.000 0.284 452 N C -0.656 174.640 175.510 -0.356 0.000 1.209 452 N CA 0.122 52.900 53.050 -0.453 0.000 1.149 452 N CB 0.722 38.498 38.487 -1.185 0.000 1.434 452 N HN 0.368 nan 8.380 nan 0.000 0.529 453 S N -0.023 115.582 115.700 -0.157 0.000 3.605 453 S HA 0.643 5.113 4.470 0.000 0.000 0.301 453 S C -1.190 173.400 174.600 -0.016 0.000 1.083 453 S CA -0.489 57.703 58.200 -0.013 0.000 1.109 453 S CB 0.511 63.752 63.200 0.068 0.000 1.364 453 S HN 0.198 nan 8.310 nan 0.000 0.758 454 L N 1.812 123.114 121.223 0.131 0.000 2.381 454 L HA 0.637 4.977 4.340 0.000 0.000 0.268 454 L C -1.305 175.741 176.870 0.292 0.000 0.997 454 L CA -0.531 54.409 54.840 0.166 0.000 0.818 454 L CB 1.762 43.898 42.059 0.127 0.000 1.310 454 L HN 0.473 nan 8.230 nan 0.000 0.416 455 L N 3.736 125.149 121.223 0.316 0.000 2.346 455 L HA 0.637 4.977 4.340 0.000 0.000 0.274 455 L C -1.124 176.002 176.870 0.428 0.000 1.007 455 L CA -0.678 54.392 54.840 0.383 0.000 0.818 455 L CB 2.384 44.634 42.059 0.319 0.000 1.284 455 L HN 0.403 nan 8.230 nan 0.000 0.424 456 I N 2.073 122.854 120.570 0.351 0.000 2.478 456 I HA 0.239 4.409 4.170 0.000 0.000 0.287 456 I C -1.092 175.163 176.117 0.230 0.000 1.042 456 I CA -0.211 61.269 61.300 0.299 0.000 1.067 456 I CB 1.803 39.887 38.000 0.141 0.000 1.233 456 I HN 0.319 nan 8.210 nan 0.000 0.431 457 Y N 5.630 126.018 120.300 0.147 0.000 2.504 457 Y HA 0.405 4.955 4.550 0.000 0.000 0.339 457 Y C -0.194 175.497 175.900 -0.349 0.000 0.974 457 Y CA -0.514 57.556 58.100 -0.050 0.000 1.232 457 Y CB 0.514 39.026 38.460 0.087 0.000 1.108 457 Y HN 0.532 nan 8.280 nan 0.000 0.509 458 D N 7.584 127.441 120.400 -0.905 0.000 2.280 458 D HA 0.261 4.901 4.640 0.000 0.000 0.243 458 D C -2.221 173.620 176.300 -0.765 0.000 1.129 458 D CA -2.608 50.666 54.000 -1.210 0.000 0.848 458 D CB 2.165 42.247 40.800 -1.196 0.000 1.107 458 D HN 0.294 nan 8.370 nan 0.000 0.471 459 P HA 0.030 nan 4.420 nan 0.000 0.229 459 P C -0.097 177.102 177.300 -0.168 0.000 1.160 459 P CA 0.948 63.956 63.100 -0.154 0.000 0.777 459 P CB 0.277 32.046 31.700 0.116 0.000 0.814 460 K N -0.785 119.504 120.400 -0.186 0.000 2.514 460 K HA 0.170 4.490 4.320 0.000 0.000 0.207 460 K C 0.311 176.777 176.600 -0.224 0.000 1.035 460 K CA -0.211 55.984 56.287 -0.153 0.000 1.113 460 K CB 0.621 33.073 32.500 -0.080 0.000 0.846 460 K HN 0.133 nan 8.250 nan 0.000 0.491 461 E N 2.467 122.473 120.200 -0.322 0.000 2.354 461 E HA 0.053 4.403 4.350 0.000 0.000 0.269 461 E C -0.435 175.929 176.600 -0.393 0.000 1.036 461 E CA -0.143 56.007 56.400 -0.416 0.000 0.876 461 E CB 0.795 30.165 29.700 -0.550 0.000 1.009 461 E HN 0.198 nan 8.360 nan 0.000 0.416 462 T N 0.443 114.736 114.554 -0.434 0.000 2.940 462 T HA 0.561 4.911 4.350 0.000 0.000 0.288 462 T C -0.569 173.878 174.700 -0.421 0.000 1.033 462 T CA -0.773 61.163 62.100 -0.273 0.000 1.033 462 T CB 0.666 69.397 68.868 -0.229 0.000 1.079 462 T HN 0.265 nan 8.240 nan 0.000 0.496 463 F N 0.937 120.916 119.950 0.048 0.000 2.513 463 F HA 0.502 5.029 4.527 0.000 0.000 0.358 463 F C 0.713 176.529 175.800 0.027 0.000 1.118 463 F CA -0.888 57.076 58.000 -0.059 0.000 1.037 463 F CB 1.825 40.688 39.000 -0.227 0.000 1.276 463 F HN 0.652 nan 8.300 nan 0.000 0.446 464 S N 1.581 117.312 115.700 0.052 0.000 2.488 464 S HA 0.305 4.775 4.470 0.000 0.000 0.278 464 S C 0.664 175.224 174.600 -0.068 0.000 1.259 464 S CA 0.031 58.125 58.200 -0.176 0.000 1.061 464 S CB 0.234 63.334 63.200 -0.166 0.000 0.910 464 S HN 0.717 nan 8.310 nan 0.000 0.491 465 S N 2.313 117.977 115.700 -0.061 0.000 2.941 465 S HA 0.113 4.583 4.470 0.000 0.000 0.251 465 S C 1.134 175.839 174.600 0.175 0.000 1.029 465 S CA 0.042 58.360 58.200 0.196 0.000 1.062 465 S CB -0.133 63.204 63.200 0.228 0.000 0.977 465 S HN 0.691 nan 8.310 nan 0.000 0.552 466 S N 0.921 116.652 115.700 0.051 0.000 2.447 466 S HA 0.085 4.555 4.470 0.000 0.000 0.233 466 S C 1.768 176.514 174.600 0.242 0.000 1.006 466 S CA 0.915 59.169 58.200 0.090 0.000 0.957 466 S CB -0.786 62.386 63.200 -0.047 0.000 0.773 466 S HN 0.651 nan 8.310 nan 0.000 0.507 467 G N -0.393 108.545 108.800 0.229 0.000 2.683 467 G HA2 0.067 4.027 3.960 0.000 0.000 0.213 467 G HA3 0.067 4.027 3.960 0.000 0.000 0.213 467 G C 0.204 175.249 174.900 0.241 0.000 1.142 467 G CA -0.478 44.769 45.100 0.245 0.000 0.793 467 G HN 0.565 nan 8.290 nan 0.000 0.534 468 Y N 2.343 122.676 120.300 0.056 0.000 2.729 468 Y HA 0.316 4.866 4.550 0.000 0.000 0.331 468 Y C 1.142 176.873 175.900 -0.283 0.000 1.208 468 Y CA 0.712 58.724 58.100 -0.147 0.000 1.521 468 Y CB -0.136 38.209 38.460 -0.192 0.000 1.233 468 Y HN 0.552 nan 8.280 nan 0.000 0.539 469 G N 3.896 112.365 108.800 -0.552 0.000 2.752 469 G HA2 -0.157 3.803 3.960 0.000 0.000 0.234 469 G HA3 -0.157 3.803 3.960 0.000 0.000 0.234 469 G C 0.604 175.375 174.900 -0.215 0.000 1.367 469 G CA -0.253 44.609 45.100 -0.396 0.000 0.879 469 G HN 1.461 nan 8.290 nan 0.000 0.563 470 G N -0.998 107.764 108.800 -0.064 0.000 3.324 470 G HA2 0.597 4.558 3.960 0.000 0.000 0.251 470 G HA3 0.597 4.558 3.960 0.000 0.000 0.251 470 G C 0.449 175.495 174.900 0.244 0.000 1.072 470 G CA 1.717 46.937 45.100 0.200 0.000 0.787 470 G HN 1.735 nan 8.290 nan 0.000 0.537 471 S N -1.071 114.680 115.700 0.085 0.000 2.638 471 S HA 0.428 4.898 4.470 0.000 0.000 0.274 471 S C -0.038 174.617 174.600 0.091 0.000 1.157 471 S CA 0.321 58.613 58.200 0.154 0.000 0.826 471 S CB 1.223 64.491 63.200 0.114 0.000 1.139 471 S HN 0.052 nan 8.310 nan 0.000 0.474 472 D N 0.536 121.018 120.400 0.137 0.000 2.979 472 D HA -0.178 4.462 4.640 0.000 0.000 0.208 472 D C -0.256 176.132 176.300 0.147 0.000 1.122 472 D CA 1.840 55.910 54.000 0.117 0.000 0.992 472 D CB -1.428 39.421 40.800 0.081 0.000 1.117 472 D HN 0.675 nan 8.370 nan 0.000 0.397 473 H N 0.543 119.677 119.070 0.107 0.000 3.150 473 H HA -0.034 4.522 4.556 0.000 0.000 0.250 473 H C 0.582 175.955 175.328 0.074 0.000 0.796 473 H CA 1.510 57.620 56.048 0.104 0.000 1.449 473 H CB -0.076 29.733 29.762 0.079 0.000 1.353 473 H HN 0.092 nan 8.280 nan 0.000 0.499 474 T N 3.000 117.645 114.554 0.152 0.000 2.779 474 T HA 0.087 4.437 4.350 0.000 0.000 0.280 474 T C 0.957 175.697 174.700 0.067 0.000 0.987 474 T CA -1.009 61.155 62.100 0.107 0.000 0.966 474 T CB 0.841 69.757 68.868 0.080 0.000 0.933 474 T HN 0.420 nan 8.240 nan 0.000 0.442 475 D N 3.415 123.834 120.400 0.031 0.000 2.116 475 D HA 0.013 4.653 4.640 0.000 0.000 0.193 475 D C 0.017 176.073 176.300 -0.406 0.000 0.998 475 D CA 1.689 55.596 54.000 -0.155 0.000 0.836 475 D CB 0.005 40.736 40.800 -0.114 0.000 0.951 475 D HN 0.544 nan 8.370 nan 0.000 0.449 476 F N -0.754 119.228 119.950 0.053 0.000 2.520 476 F HA 0.619 5.146 4.527 0.000 0.000 0.322 476 F C 0.442 176.249 175.800 0.013 0.000 1.103 476 F CA -1.161 56.860 58.000 0.035 0.000 0.926 476 F CB 1.754 40.769 39.000 0.025 0.000 1.154 476 F HN -0.208 nan 8.300 nan 0.000 0.453 477 A N 1.507 124.419 122.820 0.154 0.000 2.263 477 A HA 0.887 5.208 4.320 0.000 0.000 0.318 477 A C -0.364 177.186 177.584 -0.057 0.000 1.111 477 A CA -0.476 51.553 52.037 -0.013 0.000 0.901 477 A CB 0.340 19.251 19.000 -0.148 0.000 1.280 477 A HN 0.926 nan 8.150 nan 0.000 0.503 478 A N 0.346 123.048 122.820 -0.197 0.000 2.425 478 A HA 0.395 4.715 4.320 0.000 0.000 0.242 478 A C 0.303 177.643 177.584 -0.407 0.000 1.077 478 A CA -0.220 51.701 52.037 -0.194 0.000 0.781 478 A CB -0.236 18.657 19.000 -0.178 0.000 1.020 478 A HN 0.748 nan 8.150 nan 0.000 0.494 479 N N 1.093 119.636 118.700 -0.262 0.000 2.415 479 N HA 0.073 4.813 4.740 0.000 0.000 0.246 479 N C -0.239 175.032 175.510 -0.399 0.000 1.078 479 N CA -0.195 52.628 53.050 -0.378 0.000 0.942 479 N CB 0.830 39.247 38.487 -0.117 0.000 1.140 479 N HN 0.624 nan 8.380 nan 0.000 0.501 480 D N 2.322 122.383 120.400 -0.566 0.000 2.363 480 D HA 0.090 4.730 4.640 0.000 0.000 0.214 480 D C 0.902 177.080 176.300 -0.204 0.000 1.093 480 D CA 0.025 53.850 54.000 -0.293 0.000 0.837 480 D CB -0.392 40.233 40.800 -0.292 0.000 0.948 480 D HN 0.628 nan 8.370 nan 0.000 0.507 481 G N 0.258 108.910 108.800 -0.246 0.000 2.233 481 G HA2 -0.223 3.737 3.960 0.000 0.000 0.270 481 G HA3 -0.223 3.737 3.960 0.000 0.000 0.270 481 G C 0.630 175.579 174.900 0.081 0.000 1.011 481 G CA 0.465 45.525 45.100 -0.066 0.000 0.762 481 G HN 0.756 nan 8.290 nan 0.000 0.511 482 G N -1.289 107.506 108.800 -0.009 0.000 2.945 482 G HA2 0.599 4.559 3.960 0.000 0.000 0.156 482 G HA3 0.599 4.559 3.960 0.000 0.000 0.156 482 G C 0.088 174.901 174.900 -0.145 0.000 1.375 482 G CA -0.313 44.767 45.100 -0.034 0.000 1.039 482 G HN 0.505 nan 8.290 nan 0.000 0.586 483 Q N -0.056 119.530 119.800 -0.356 0.000 2.260 483 Q HA 0.389 4.729 4.340 0.000 0.000 0.242 483 Q C 0.049 175.926 176.000 -0.204 0.000 0.932 483 Q CA -0.350 55.150 55.803 -0.505 0.000 0.891 483 Q CB 1.546 29.950 28.738 -0.556 0.000 1.222 483 Q HN 0.336 nan 8.270 nan 0.000 0.453 484 R N 0.646 121.022 120.500 -0.206 0.000 2.861 484 R HA 0.089 4.429 4.340 0.000 0.000 0.268 484 R C -0.387 175.792 176.300 -0.203 0.000 1.027 484 R CA 0.132 56.133 56.100 -0.164 0.000 1.163 484 R CB 0.107 30.291 30.300 -0.194 0.000 1.060 484 R HN 0.441 nan 8.270 nan 0.000 0.483 485 L N 3.207 124.278 121.223 -0.253 0.000 2.287 485 L HA 0.341 4.681 4.340 0.000 0.000 0.280 485 L C -2.078 174.685 176.870 -0.179 0.000 1.055 485 L CA -2.221 52.361 54.840 -0.430 0.000 0.863 485 L CB 0.982 42.587 42.059 -0.757 0.000 1.245 485 L HN 0.319 nan 8.230 nan 0.000 0.432 486 P HA 0.370 nan 4.420 nan 0.000 0.274 486 P C 0.328 177.585 177.300 -0.071 0.000 1.256 486 P CA 0.082 63.080 63.100 -0.171 0.000 0.795 486 P CB 0.776 32.392 31.700 -0.140 0.000 1.038 487 G N -0.033 108.508 108.800 -0.432 0.000 2.828 487 G HA2 -0.144 3.816 3.960 0.000 0.000 0.463 487 G HA3 -0.144 3.816 3.960 0.000 0.000 0.463 487 G C -1.012 173.903 174.900 0.026 0.000 1.394 487 G CA -0.745 44.333 45.100 -0.036 0.000 0.862 487 G HN 0.669 nan 8.290 nan 0.000 0.540 488 K N 0.769 121.226 120.400 0.096 0.000 2.171 488 K HA 0.479 4.799 4.320 0.000 0.000 0.274 488 K C 1.056 177.706 176.600 0.082 0.000 1.110 488 K CA 0.181 56.500 56.287 0.054 0.000 0.952 488 K CB 0.489 33.016 32.500 0.045 0.000 1.309 488 K HN 2.419 nan 8.250 nan 0.000 0.414 489 G N 2.997 111.835 108.800 0.064 0.000 2.272 489 G HA2 -0.256 3.704 3.960 0.000 0.000 0.280 489 G HA3 -0.256 3.704 3.960 0.000 0.000 0.280 489 G C -0.222 174.848 174.900 0.283 0.000 1.067 489 G CA -0.071 45.086 45.100 0.096 0.000 0.902 489 G HN 0.814 nan 8.290 nan 0.000 0.500 490 W N -1.965 119.367 121.300 0.053 0.000 4.926 490 W HA -0.186 4.474 4.660 0.000 0.000 0.401 490 W C 0.063 176.675 176.519 0.155 0.000 1.555 490 W CA 0.274 57.688 57.345 0.115 0.000 0.877 490 W CB -1.782 27.753 29.460 0.125 0.000 2.743 490 W HN 1.003 nan 8.180 nan 0.000 1.328 491 I N -0.033 120.707 120.570 0.283 0.000 2.608 491 I HA 0.786 4.956 4.170 0.000 0.000 0.295 491 I C 0.817 177.036 176.117 0.170 0.000 1.049 491 I CA -1.158 60.221 61.300 0.131 0.000 1.063 491 I CB 1.289 39.344 38.000 0.091 0.000 1.248 491 I HN 0.089 nan 8.210 nan 0.000 0.424 492 A N 5.544 128.385 122.820 0.034 0.000 2.466 492 A HA 0.516 4.836 4.320 0.000 0.000 0.238 492 A C -2.214 175.304 177.584 -0.111 0.000 1.074 492 A CA -0.818 51.175 52.037 -0.073 0.000 0.774 492 A CB -0.682 18.242 19.000 -0.127 0.000 1.015 492 A HN 0.620 nan 8.150 nan 0.000 0.498 493 P HA 0.123 nan 4.420 nan 0.000 0.272 493 P C 0.504 177.696 177.300 -0.181 0.000 1.240 493 P CA -0.282 62.670 63.100 -0.247 0.000 0.791 493 P CB 0.626 32.023 31.700 -0.506 0.000 0.978 494 R N 1.402 121.832 120.500 -0.117 0.000 2.083 494 R HA -0.134 4.206 4.340 0.000 0.000 0.237 494 R C 0.515 176.732 176.300 -0.140 0.000 1.137 494 R CA 2.372 58.412 56.100 -0.101 0.000 0.951 494 R CB -0.322 29.939 30.300 -0.063 0.000 0.851 494 R HN 0.705 nan 8.270 nan 0.000 0.434 495 D N -3.083 117.214 120.400 -0.173 0.000 2.946 495 D HA 0.007 4.647 4.640 0.000 0.000 0.337 495 D C 0.315 176.458 176.300 -0.261 0.000 1.332 495 D CA -0.525 53.358 54.000 -0.195 0.000 0.935 495 D CB -0.249 40.461 40.800 -0.150 0.000 1.440 495 D HN -0.019 nan 8.370 nan 0.000 0.540 496 L N 0.372 121.425 121.223 -0.284 0.000 2.072 496 L HA 0.118 4.458 4.340 0.000 0.000 0.205 496 L C 2.171 178.801 176.870 -0.400 0.000 1.079 496 L CA 1.911 56.493 54.840 -0.429 0.000 0.752 496 L CB -0.751 41.009 42.059 -0.497 0.000 0.906 496 L HN 0.639 nan 8.230 nan 0.000 0.436 497 K N -0.373 119.861 120.400 -0.277 0.000 2.044 497 K HA -0.296 4.024 4.320 0.000 0.000 0.210 497 K C 2.131 178.630 176.600 -0.170 0.000 1.049 497 K CA 2.197 58.359 56.287 -0.209 0.000 0.927 497 K CB -0.217 32.197 32.500 -0.144 0.000 0.713 497 K HN 0.554 nan 8.250 nan 0.000 0.443 498 E N 0.236 120.344 120.200 -0.154 0.000 2.107 498 E HA -0.168 4.182 4.350 0.000 0.000 0.191 498 E C 2.145 178.699 176.600 -0.078 0.000 0.982 498 E CA 0.787 57.133 56.400 -0.089 0.000 0.809 498 E CB -0.061 29.592 29.700 -0.079 0.000 0.756 498 E HN 0.364 nan 8.360 nan 0.000 0.459 499 M N 0.418 119.873 119.600 -0.242 0.000 2.080 499 M HA -0.212 4.268 4.480 0.000 0.000 0.260 499 M C 1.913 178.165 176.300 -0.079 0.000 1.068 499 M CA 1.576 56.676 55.300 -0.334 0.000 1.109 499 M CB 0.002 32.253 32.600 -0.581 0.000 1.342 499 M HN 0.188 nan 8.290 nan 0.000 0.405 500 L N -0.361 120.735 121.223 -0.211 0.000 2.156 500 L HA -0.051 4.289 4.340 0.000 0.000 0.208 500 L C 2.526 179.394 176.870 -0.004 0.000 1.095 500 L CA 0.817 55.575 54.840 -0.135 0.000 0.770 500 L CB -0.735 41.150 42.059 -0.289 0.000 0.914 500 L HN 0.397 nan 8.230 nan 0.000 0.439 501 A N -0.165 122.645 122.820 -0.016 0.000 2.206 501 A HA 0.190 4.510 4.320 0.000 0.000 0.211 501 A C 1.381 178.990 177.584 0.042 0.000 1.158 501 A CA 0.945 52.986 52.037 0.007 0.000 0.761 501 A CB -0.595 18.397 19.000 -0.014 0.000 0.801 501 A HN 0.390 nan 8.150 nan 0.000 0.473 502 G N -0.322 108.547 108.800 0.115 0.000 2.890 502 G HA2 0.405 4.365 3.960 0.000 0.000 0.189 502 G HA3 0.405 4.365 3.960 0.000 0.000 0.189 502 G C -0.446 174.429 174.900 -0.043 0.000 1.342 502 G CA 0.394 45.536 45.100 0.071 0.000 1.026 502 G HN 0.271 nan 8.290 nan 0.000 0.579 503 D N -0.853 119.340 120.400 -0.345 0.000 3.123 503 D HA 0.223 4.863 4.640 0.000 0.000 0.305 503 D C -0.323 175.683 176.300 -0.490 0.000 1.373 503 D CA -0.530 53.252 54.000 -0.363 0.000 0.889 503 D CB -0.164 40.431 40.800 -0.340 0.000 1.070 503 D HN 0.169 nan 8.370 nan 0.000 0.494 504 F N -0.112 119.835 119.950 -0.005 0.000 2.653 504 F HA 0.263 4.790 4.527 0.000 0.000 0.304 504 F C 1.218 176.991 175.800 -0.046 0.000 1.092 504 F CA -0.867 57.136 58.000 0.005 0.000 1.279 504 F CB 0.372 39.382 39.000 0.016 0.000 1.044 504 F HN -0.101 nan 8.300 nan 0.000 0.564 505 R N 1.197 121.653 120.500 -0.073 0.000 2.267 505 R HA 0.204 4.544 4.340 0.000 0.000 0.319 505 R C 0.818 176.951 176.300 -0.278 0.000 1.067 505 R CA 0.519 56.320 56.100 -0.497 0.000 0.936 505 R CB 0.523 30.526 30.300 -0.496 0.000 1.006 505 R HN 0.188 nan 8.270 nan 0.000 0.452 506 T N 0.278 114.678 114.554 -0.255 0.000 3.040 506 T HA 0.402 4.752 4.350 0.000 0.000 0.266 506 T C 0.512 175.180 174.700 -0.054 0.000 1.005 506 T CA 0.044 62.082 62.100 -0.102 0.000 0.906 506 T CB 0.819 69.668 68.868 -0.031 0.000 1.082 506 T HN 0.622 nan 8.240 nan 0.000 0.531 507 G N 0.276 109.013 108.800 -0.105 0.000 2.441 507 G HA2 0.519 4.479 3.960 0.000 0.000 0.294 507 G HA3 0.519 4.479 3.960 0.000 0.000 0.294 507 G C -2.393 172.489 174.900 -0.030 0.000 1.393 507 G CA -0.955 44.135 45.100 -0.018 0.000 0.796 507 G HN 0.320 nan 8.290 nan 0.000 0.494 508 K N 0.376 120.795 120.400 0.032 0.000 2.619 508 K HA 0.532 4.852 4.320 0.000 0.000 0.251 508 K C -0.815 175.830 176.600 0.076 0.000 0.987 508 K CA -0.640 55.671 56.287 0.040 0.000 0.844 508 K CB 0.815 33.335 32.500 0.033 0.000 1.237 508 K HN 0.520 nan 8.250 nan 0.000 0.447 509 I N 6.332 126.953 120.570 0.087 0.000 2.598 509 I HA 0.020 4.190 4.170 0.000 0.000 0.284 509 I C 0.901 177.068 176.117 0.083 0.000 1.140 509 I CA 0.164 61.528 61.300 0.107 0.000 1.420 509 I CB 0.525 38.602 38.000 0.130 0.000 1.387 509 I HN 0.628 nan 8.210 nan 0.000 0.553 510 L N 6.147 127.417 121.223 0.078 0.000 2.425 510 L HA 0.452 4.792 4.340 0.000 0.000 0.215 510 L C 0.700 177.604 176.870 0.058 0.000 1.065 510 L CA 0.169 55.053 54.840 0.073 0.000 0.842 510 L CB 0.112 42.225 42.059 0.090 0.000 1.033 510 L HN 0.783 nan 8.230 nan 0.000 0.474 511 A N 0.194 123.016 122.820 0.003 0.000 2.599 511 A HA 0.657 4.977 4.320 0.000 0.000 0.294 511 A C -1.851 175.575 177.584 -0.263 0.000 1.055 511 A CA -0.492 51.515 52.037 -0.050 0.000 0.683 511 A CB 1.502 20.547 19.000 0.076 0.000 1.278 511 A HN 0.087 nan 8.150 nan 0.000 0.412 512 Q N -0.097 119.550 119.800 -0.254 0.000 2.594 512 Q HA 0.761 5.101 4.340 0.000 0.000 0.278 512 Q C -0.448 175.441 176.000 -0.186 0.000 0.961 512 Q CA -0.132 55.452 55.803 -0.365 0.000 0.844 512 Q CB 0.870 29.260 28.738 -0.581 0.000 1.475 512 Q HN 2.464 nan 8.270 nan 0.000 0.389 513 G N 0.211 108.974 108.800 -0.061 0.000 2.338 513 G HA2 0.571 4.531 3.960 0.000 0.000 0.295 513 G HA3 0.571 4.531 3.960 0.000 0.000 0.295 513 G C -1.977 172.978 174.900 0.092 0.000 1.461 513 G CA -0.326 44.749 45.100 -0.041 0.000 0.817 513 G HN 1.162 nan 8.290 nan 0.000 0.556 514 F N -1.297 118.565 119.950 -0.147 0.000 2.645 514 F HA 0.984 5.511 4.527 0.000 0.000 0.310 514 F C 0.315 175.723 175.800 -0.655 0.000 1.102 514 F CA -0.615 57.099 58.000 -0.475 0.000 0.952 514 F CB 1.651 40.507 39.000 -0.239 0.000 1.326 514 F HN 1.697 nan 8.300 nan 0.000 0.456 515 G N 0.179 108.525 108.800 -0.756 0.000 2.344 515 G HA2 0.348 4.308 3.960 0.000 0.000 0.282 515 G HA3 0.348 4.308 3.960 0.000 0.000 0.282 515 G C -3.018 171.636 174.900 -0.409 0.000 1.281 515 G CA -0.254 44.565 45.100 -0.469 0.000 0.877 515 G HN 0.471 nan 8.290 nan 0.000 0.494 516 P HA 0.081 nan 4.420 nan 0.000 0.222 516 P C 0.227 177.451 177.300 -0.127 0.000 1.153 516 P CA 1.002 63.934 63.100 -0.280 0.000 0.798 516 P CB 0.129 31.602 31.700 -0.377 0.000 0.796 517 D N -0.592 119.769 120.400 -0.064 0.000 2.308 517 D HA 0.056 4.696 4.640 0.000 0.000 0.251 517 D C 1.282 177.625 176.300 0.072 0.000 1.127 517 D CA -0.229 53.776 54.000 0.009 0.000 0.876 517 D CB 0.415 41.231 40.800 0.027 0.000 1.176 517 D HN -0.209 nan 8.370 nan 0.000 0.446 518 N N 2.209 120.969 118.700 0.100 0.000 2.216 518 N HA -0.195 4.545 4.740 0.000 0.000 0.183 518 N C 1.420 177.060 175.510 0.217 0.000 1.017 518 N CA 1.089 54.271 53.050 0.221 0.000 0.861 518 N CB 0.158 38.734 38.487 0.148 0.000 0.986 518 N HN 0.344 nan 8.380 nan 0.000 0.428 519 Q N -0.220 119.659 119.800 0.132 0.000 2.079 519 Q HA -0.008 4.332 4.340 0.000 0.000 0.200 519 Q C -0.078 175.980 176.000 0.097 0.000 0.974 519 Q CA 1.603 57.475 55.803 0.116 0.000 0.840 519 Q CB -0.082 28.715 28.738 0.098 0.000 0.898 519 Q HN 0.431 nan 8.270 nan 0.000 0.430 520 T N -1.507 113.093 114.554 0.077 0.000 3.542 520 T HA 0.435 4.785 4.350 0.000 0.000 0.276 520 T C -2.836 171.887 174.700 0.038 0.000 1.412 520 T CA -1.745 60.387 62.100 0.054 0.000 1.664 520 T CB 1.125 70.030 68.868 0.061 0.000 0.863 520 T HN 0.022 nan 8.240 nan 0.000 0.661 521 P HA 0.249 nan 4.420 nan 0.000 0.268 521 P C 0.047 177.353 177.300 0.011 0.000 1.204 521 P CA 0.010 63.110 63.100 -0.001 0.000 0.768 521 P CB 1.038 32.745 31.700 0.011 0.000 0.842 522 D N 1.384 121.793 120.400 0.015 0.000 2.144 522 D HA -0.084 4.556 4.640 0.000 0.000 0.200 522 D C 0.681 177.068 176.300 0.145 0.000 0.978 522 D CA 1.783 55.831 54.000 0.079 0.000 0.833 522 D CB -0.370 40.505 40.800 0.125 0.000 0.961 522 D HN 0.576 nan 8.370 nan 0.000 0.470 523 Y N -1.385 118.970 120.300 0.091 0.000 2.446 523 Y HA 0.670 5.220 4.550 0.000 0.000 0.345 523 Y C -0.779 175.278 175.900 0.262 0.000 0.984 523 Y CA -1.097 57.087 58.100 0.140 0.000 1.058 523 Y CB 1.471 39.985 38.460 0.090 0.000 1.220 523 Y HN -0.418 nan 8.280 nan 0.000 0.455 524 T N 4.745 119.553 114.554 0.423 0.000 2.809 524 T HA 0.314 4.664 4.350 0.000 0.000 0.284 524 T C -2.080 172.954 174.700 0.556 0.000 0.992 524 T CA -0.475 61.863 62.100 0.397 0.000 0.957 524 T CB 0.397 69.435 68.868 0.282 0.000 0.942 524 T HN 0.631 nan 8.240 nan 0.000 0.439 525 Y N 4.211 124.745 120.300 0.391 0.000 2.425 525 Y HA 0.783 5.333 4.550 0.000 0.000 0.344 525 Y C -1.808 174.260 175.900 0.280 0.000 0.969 525 Y CA -1.932 56.389 58.100 0.368 0.000 1.052 525 Y CB 1.218 39.906 38.460 0.379 0.000 1.215 525 Y HN 0.561 nan 8.280 nan 0.000 0.451 526 L N 6.124 127.301 121.223 -0.076 0.000 2.482 526 L HA 0.618 4.958 4.340 0.000 0.000 0.263 526 L C -1.882 174.965 176.870 -0.038 0.000 0.957 526 L CA -0.633 54.129 54.840 -0.130 0.000 0.836 526 L CB 2.086 44.247 42.059 0.171 0.000 1.324 526 L HN 0.718 nan 8.230 nan 0.000 0.406 527 K N 2.668 122.995 120.400 -0.121 0.000 2.464 527 K HA 0.877 5.197 4.320 0.000 0.000 0.253 527 K C -1.171 175.507 176.600 0.130 0.000 0.933 527 K CA -0.485 55.842 56.287 0.067 0.000 0.801 527 K CB 2.224 34.765 32.500 0.069 0.000 1.271 527 K HN 0.901 nan 8.250 nan 0.000 0.430 528 G N 1.387 110.284 108.800 0.161 0.000 2.704 528 G HA2 0.225 4.185 3.960 0.000 0.000 0.293 528 G HA3 0.225 4.185 3.960 0.000 0.000 0.293 528 G C -1.897 173.073 174.900 0.117 0.000 1.421 528 G CA -0.417 44.776 45.100 0.155 0.000 0.870 528 G HN 0.545 nan 8.290 nan 0.000 0.492 529 D N 1.148 121.607 120.400 0.098 0.000 2.460 529 D HA 0.222 4.862 4.640 0.000 0.000 0.232 529 D C 0.971 177.321 176.300 0.083 0.000 1.079 529 D CA -0.526 53.518 54.000 0.074 0.000 0.864 529 D CB 1.124 41.957 40.800 0.055 0.000 1.048 529 D HN 0.408 nan 8.370 nan 0.000 0.523 530 I N 1.016 121.651 120.570 0.109 0.000 3.884 530 I HA 0.144 4.314 4.170 0.000 0.000 0.330 530 I C 1.108 177.342 176.117 0.196 0.000 1.451 530 I CA -0.500 60.894 61.300 0.156 0.000 1.165 530 I CB 0.189 38.323 38.000 0.224 0.000 1.097 530 I HN -0.011 nan 8.210 nan 0.000 0.404 531 T N 1.770 116.389 114.554 0.108 0.000 2.699 531 T HA -0.218 4.132 4.350 0.000 0.000 0.268 531 T C 2.018 176.795 174.700 0.129 0.000 1.036 531 T CA 2.084 64.237 62.100 0.089 0.000 1.147 531 T CB -0.123 68.763 68.868 0.030 0.000 0.862 531 T HN 0.667 nan 8.240 nan 0.000 0.446 532 A N 0.772 123.635 122.820 0.072 0.000 2.168 532 A HA 0.397 4.717 4.320 0.000 0.000 0.215 532 A C 2.440 180.030 177.584 0.010 0.000 1.152 532 A CA 1.257 53.305 52.037 0.017 0.000 0.716 532 A CB -0.640 18.337 19.000 -0.039 0.000 0.794 532 A HN 0.506 nan 8.150 nan 0.000 0.465 533 A N -1.444 121.416 122.820 0.066 0.000 2.016 533 A HA 0.320 4.640 4.320 0.000 0.000 0.217 533 A C 0.809 178.285 177.584 -0.179 0.000 1.162 533 A CA 0.443 52.443 52.037 -0.061 0.000 0.662 533 A CB -0.243 18.704 19.000 -0.089 0.000 0.812 533 A HN 0.455 nan 8.150 nan 0.000 0.450 534 Y N -0.289 119.989 120.300 -0.037 0.000 2.565 534 Y HA 0.468 5.018 4.550 0.000 0.000 0.325 534 Y C 1.378 177.231 175.900 -0.078 0.000 1.221 534 Y CA -0.447 57.624 58.100 -0.047 0.000 1.316 534 Y CB 0.686 39.133 38.460 -0.023 0.000 1.404 534 Y HN 0.191 nan 8.280 nan 0.000 0.527 535 S N 0.040 115.779 115.700 0.064 0.000 2.552 535 S HA 0.488 4.958 4.470 0.000 0.000 0.271 535 S C 1.187 175.781 174.600 -0.009 0.000 1.168 535 S CA -0.157 58.016 58.200 -0.045 0.000 1.026 535 S CB 0.286 63.395 63.200 -0.151 0.000 1.120 535 S HN 0.767 nan 8.310 nan 0.000 0.514 536 A N 0.392 123.190 122.820 -0.037 0.000 2.239 536 A HA 0.038 4.358 4.320 0.000 0.000 0.209 536 A C 1.996 179.603 177.584 0.038 0.000 1.171 536 A CA 1.070 53.104 52.037 -0.005 0.000 0.768 536 A CB -1.011 17.978 19.000 -0.018 0.000 0.790 536 A HN 0.867 nan 8.150 nan 0.000 0.478 537 K N 0.029 120.453 120.400 0.039 0.000 2.442 537 K HA 0.039 4.359 4.320 0.000 0.000 0.198 537 K C 0.158 176.852 176.600 0.158 0.000 1.042 537 K CA 1.096 57.462 56.287 0.132 0.000 0.958 537 K CB -0.617 31.840 32.500 -0.070 0.000 0.766 537 K HN 0.423 nan 8.250 nan 0.000 0.474 538 V N -1.709 118.245 119.914 0.068 0.000 2.709 538 V HA 0.342 4.462 4.120 0.000 0.000 0.308 538 V C 0.218 176.312 176.094 -0.000 0.000 1.062 538 V CA -1.144 61.167 62.300 0.018 0.000 0.901 538 V CB 2.024 33.803 31.823 -0.074 0.000 1.003 538 V HN -0.007 nan 8.190 nan 0.000 0.425 539 K N 1.402 121.793 120.400 -0.016 0.000 2.314 539 K HA 0.293 4.613 4.320 0.000 0.000 0.198 539 K C 0.398 176.982 176.600 -0.027 0.000 1.045 539 K CA 0.844 57.120 56.287 -0.018 0.000 0.988 539 K CB 0.509 32.996 32.500 -0.022 0.000 0.783 539 K HN 0.897 nan 8.250 nan 0.000 0.484 540 E N 0.333 120.503 120.200 -0.050 0.000 2.451 540 E HA 0.171 4.521 4.350 0.000 0.000 0.295 540 E C -1.952 174.591 176.600 -0.095 0.000 0.966 540 E CA -0.478 55.889 56.400 -0.054 0.000 0.808 540 E CB 1.881 31.553 29.700 -0.046 0.000 1.242 540 E HN -0.209 nan 8.360 nan 0.000 0.412 541 V N 4.443 124.307 119.914 -0.082 0.000 2.524 541 V HA 0.474 4.594 4.120 0.000 0.000 0.297 541 V C -0.668 175.399 176.094 -0.045 0.000 1.035 541 V CA -0.782 61.452 62.300 -0.110 0.000 0.867 541 V CB 1.681 33.381 31.823 -0.205 0.000 1.004 541 V HN 0.540 nan 8.190 nan 0.000 0.426 542 K N 4.058 124.420 120.400 -0.064 0.000 2.324 542 K HA 0.740 5.060 4.320 0.000 0.000 0.253 542 K C -0.742 175.810 176.600 -0.080 0.000 0.932 542 K CA -0.912 55.354 56.287 -0.036 0.000 0.799 542 K CB 3.274 35.761 32.500 -0.021 0.000 1.154 542 K HN 0.633 nan 8.250 nan 0.000 0.425 543 R N 0.915 121.375 120.500 -0.067 0.000 2.621 543 R HA 0.364 4.704 4.340 0.000 0.000 0.292 543 R C -1.252 174.885 176.300 -0.272 0.000 0.969 543 R CA -0.382 55.593 56.100 -0.207 0.000 0.887 543 R CB 1.659 31.817 30.300 -0.235 0.000 1.180 543 R HN 0.547 nan 8.270 nan 0.000 0.450 544 S N 4.170 119.669 115.700 -0.334 0.000 2.596 544 S HA 0.487 4.957 4.470 0.000 0.000 0.318 544 S C -1.300 173.206 174.600 -0.157 0.000 1.097 544 S CA -0.524 57.614 58.200 -0.103 0.000 1.080 544 S CB 0.525 63.781 63.200 0.094 0.000 0.991 544 S HN 0.399 nan 8.310 nan 0.000 0.471 545 F N 2.394 122.520 119.950 0.293 0.000 2.420 545 F HA 0.622 5.149 4.527 0.000 0.000 0.342 545 F C -0.083 175.988 175.800 0.451 0.000 1.113 545 F CA -0.990 57.185 58.000 0.291 0.000 1.059 545 F CB 0.925 40.064 39.000 0.232 0.000 1.128 545 F HN 0.324 nan 8.300 nan 0.000 0.475 546 L N 4.932 126.489 121.223 0.556 0.000 2.427 546 L HA 0.445 4.785 4.340 0.000 0.000 0.264 546 L C -1.268 175.834 176.870 0.388 0.000 0.989 546 L CA -0.524 54.614 54.840 0.497 0.000 0.865 546 L CB 0.581 42.861 42.059 0.368 0.000 1.209 546 L HN 0.579 nan 8.230 nan 0.000 0.430 547 F N 5.280 125.393 119.950 0.273 0.000 2.396 547 F HA 0.600 5.127 4.527 0.000 0.000 0.343 547 F C -1.053 174.843 175.800 0.160 0.000 1.104 547 F CA -0.299 57.807 58.000 0.178 0.000 1.161 547 F CB 0.742 39.824 39.000 0.138 0.000 1.146 547 F HN 0.248 nan 8.300 nan 0.000 0.522 548 L N 5.930 126.747 121.223 -0.676 0.000 2.349 548 L HA 0.287 4.627 4.340 0.000 0.000 0.278 548 L C -0.578 175.887 176.870 -0.675 0.000 0.996 548 L CA -0.923 53.652 54.840 -0.441 0.000 0.825 548 L CB 1.444 43.365 42.059 -0.229 0.000 1.243 548 L HN 0.581 nan 8.230 nan 0.000 0.412 549 N N 4.125 122.645 118.700 -0.300 0.000 2.555 549 N HA 0.181 4.921 4.740 0.000 0.000 0.244 549 N C 0.737 176.197 175.510 -0.084 0.000 1.114 549 N CA -0.115 52.852 53.050 -0.137 0.000 0.963 549 N CB 0.676 39.206 38.487 0.071 0.000 1.276 549 N HN 0.623 nan 8.380 nan 0.000 0.510 550 L N 2.230 123.387 121.223 -0.111 0.000 2.450 550 L HA -0.042 4.298 4.340 0.000 0.000 0.224 550 L C 0.776 177.631 176.870 -0.025 0.000 1.149 550 L CA 0.336 55.137 54.840 -0.066 0.000 0.816 550 L CB -0.381 41.651 42.059 -0.045 0.000 0.932 550 L HN 0.499 nan 8.230 nan 0.000 0.449 551 K N 0.894 121.286 120.400 -0.013 0.000 3.129 551 K HA -0.186 4.134 4.320 0.000 0.000 0.273 551 K C -0.296 176.313 176.600 0.015 0.000 1.123 551 K CA 1.090 57.382 56.287 0.009 0.000 0.800 551 K CB -1.851 30.659 32.500 0.017 0.000 1.238 551 K HN 0.700 nan 8.250 nan 0.000 0.492 552 D N -1.966 118.442 120.400 0.014 0.000 2.596 552 D HA 0.489 5.129 4.640 0.000 0.000 0.234 552 D C 0.669 176.979 176.300 0.016 0.000 1.181 552 D CA -0.019 53.995 54.000 0.023 0.000 0.856 552 D CB 1.531 42.352 40.800 0.034 0.000 1.498 552 D HN -0.112 nan 8.370 nan 0.000 0.446 553 A N 2.260 125.095 122.820 0.025 0.000 1.930 553 A HA -0.129 4.191 4.320 0.000 0.000 0.217 553 A C 1.963 179.559 177.584 0.021 0.000 1.175 553 A CA 1.335 53.391 52.037 0.033 0.000 0.627 553 A CB -0.384 18.644 19.000 0.047 0.000 0.815 553 A HN 0.651 nan 8.150 nan 0.000 0.443 554 K N -0.712 119.694 120.400 0.010 0.000 1.985 554 K HA -0.007 4.313 4.320 0.000 0.000 0.210 554 K C -0.089 176.488 176.600 -0.038 0.000 1.047 554 K CA 1.339 57.622 56.287 -0.007 0.000 0.932 554 K CB -0.133 32.354 32.500 -0.022 0.000 0.716 554 K HN 0.243 nan 8.250 nan 0.000 0.439 555 V N 3.296 123.181 119.914 -0.047 0.000 2.235 555 V HA 0.095 4.215 4.120 0.000 0.000 0.266 555 V C -1.922 174.137 176.094 -0.058 0.000 1.055 555 V CA -1.141 61.120 62.300 -0.066 0.000 0.844 555 V CB 1.019 32.787 31.823 -0.092 0.000 1.097 555 V HN 0.145 nan 8.190 nan 0.000 0.453 556 P HA 0.025 nan 4.420 nan 0.000 0.220 556 P C 0.460 177.676 177.300 -0.140 0.000 1.148 556 P CA 1.197 64.208 63.100 -0.149 0.000 0.803 556 P CB 0.838 32.375 31.700 -0.273 0.000 0.782 557 A N -1.448 121.272 122.820 -0.166 0.000 2.599 557 A HA 0.744 5.064 4.320 0.000 0.000 0.290 557 A C -1.726 175.734 177.584 -0.206 0.000 1.101 557 A CA -0.114 51.785 52.037 -0.230 0.000 0.674 557 A CB 1.280 20.184 19.000 -0.160 0.000 1.277 557 A HN 0.165 nan 8.150 nan 0.000 0.419 558 A N 0.210 122.816 122.820 -0.357 0.000 2.594 558 A HA 0.816 5.136 4.320 0.000 0.000 0.295 558 A C -1.035 176.429 177.584 -0.199 0.000 1.071 558 A CA -0.091 51.837 52.037 -0.182 0.000 0.685 558 A CB 1.454 20.389 19.000 -0.108 0.000 1.285 558 A HN 1.723 nan 8.150 nan 0.000 0.405 559 M N 2.489 122.093 119.600 0.006 0.000 2.263 559 M HA 0.627 5.107 4.480 0.000 0.000 0.295 559 M C -2.027 174.323 176.300 0.084 0.000 1.028 559 M CA -0.518 54.846 55.300 0.106 0.000 0.921 559 M CB 1.007 33.728 32.600 0.201 0.000 1.601 559 M HN 0.625 nan 8.290 nan 0.000 0.440 560 I N 4.938 125.585 120.570 0.129 0.000 2.392 560 I HA 0.520 4.690 4.170 0.000 0.000 0.295 560 I C -0.879 175.315 176.117 0.127 0.000 0.985 560 I CA -0.890 60.489 61.300 0.131 0.000 1.221 560 I CB 1.861 39.978 38.000 0.195 0.000 1.366 560 I HN 0.369 nan 8.210 nan 0.000 0.467 561 V N 6.446 126.389 119.914 0.048 0.000 2.525 561 V HA 0.347 4.467 4.120 0.000 0.000 0.299 561 V C -0.948 175.127 176.094 -0.031 0.000 1.034 561 V CA -0.622 61.668 62.300 -0.017 0.000 0.863 561 V CB 1.730 33.581 31.823 0.046 0.000 0.999 561 V HN 0.437 nan 8.190 nan 0.000 0.423 562 F N 4.455 124.164 119.950 -0.402 0.000 2.426 562 F HA 0.681 5.208 4.527 0.000 0.000 0.348 562 F C -0.277 175.392 175.800 -0.218 0.000 1.124 562 F CA -0.633 57.101 58.000 -0.443 0.000 1.008 562 F CB 1.170 39.527 39.000 -1.072 0.000 1.139 562 F HN 0.502 nan 8.300 nan 0.000 0.452 563 D N 5.121 125.204 120.400 -0.529 0.000 2.457 563 D HA 0.281 4.921 4.640 0.000 0.000 0.240 563 D C -1.222 174.804 176.300 -0.457 0.000 1.041 563 D CA -0.642 53.160 54.000 -0.331 0.000 0.861 563 D CB 2.640 43.464 40.800 0.039 0.000 1.394 563 D HN 0.456 nan 8.370 nan 0.000 0.473 564 K N 1.305 121.499 120.400 -0.343 0.000 2.463 564 K HA 0.484 4.804 4.320 0.000 0.000 0.255 564 K C -1.669 174.754 176.600 -0.295 0.000 0.942 564 K CA -0.635 55.401 56.287 -0.418 0.000 0.814 564 K CB 1.513 33.828 32.500 -0.308 0.000 1.122 564 K HN 0.145 nan 8.250 nan 0.000 0.425 565 V N 4.438 124.160 119.914 -0.320 0.000 2.407 565 V HA 0.343 4.463 4.120 0.000 0.000 0.291 565 V C -0.650 175.316 176.094 -0.213 0.000 1.018 565 V CA -0.960 61.219 62.300 -0.202 0.000 0.842 565 V CB 1.681 33.456 31.823 -0.080 0.000 0.996 565 V HN 0.480 nan 8.190 nan 0.000 0.426 566 V N 4.467 124.282 119.914 -0.164 0.000 2.334 566 V HA 0.737 4.857 4.120 0.000 0.000 0.281 566 V C 0.565 176.619 176.094 -0.067 0.000 1.016 566 V CA -0.413 61.812 62.300 -0.124 0.000 0.832 566 V CB 1.451 33.208 31.823 -0.109 0.000 0.999 566 V HN 0.978 nan 8.190 nan 0.000 0.439 567 A N 3.678 126.476 122.820 -0.036 0.000 2.293 567 A HA 0.605 4.925 4.320 0.000 0.000 0.302 567 A C 1.190 178.778 177.584 0.006 0.000 1.119 567 A CA -0.252 51.807 52.037 0.037 0.000 0.823 567 A CB 0.901 19.963 19.000 0.104 0.000 1.097 567 A HN 0.737 nan 8.150 nan 0.000 0.491 568 S N 0.584 116.317 115.700 0.055 0.000 2.489 568 S HA -0.008 4.462 4.470 0.000 0.000 0.228 568 S C 0.686 175.192 174.600 -0.157 0.000 0.995 568 S CA 0.640 58.833 58.200 -0.012 0.000 0.934 568 S CB -0.181 63.058 63.200 0.066 0.000 0.771 568 S HN 0.745 nan 8.310 nan 0.000 0.522 569 N N 0.367 118.855 118.700 -0.353 0.000 2.430 569 N HA 0.273 5.013 4.740 0.000 0.000 0.290 569 N C -2.901 172.338 175.510 -0.453 0.000 1.063 569 N CA -1.874 50.815 53.050 -0.601 0.000 0.883 569 N CB 1.975 39.674 38.487 -1.312 0.000 1.465 569 N HN -0.237 nan 8.380 nan 0.000 0.493 570 P HA -0.019 nan 4.420 nan 0.000 0.221 570 P C 0.217 177.463 177.300 -0.091 0.000 1.145 570 P CA 1.004 64.025 63.100 -0.132 0.000 0.795 570 P CB 0.407 32.048 31.700 -0.099 0.000 0.775 571 D N -1.625 118.688 120.400 -0.145 0.000 2.349 571 D HA 0.029 4.669 4.640 0.000 0.000 0.224 571 D C 0.307 176.712 176.300 0.174 0.000 1.029 571 D CA 0.188 54.181 54.000 -0.012 0.000 0.879 571 D CB -0.262 40.525 40.800 -0.021 0.000 0.906 571 D HN 0.285 nan 8.370 nan 0.000 0.528 572 F N 2.070 122.066 119.950 0.078 0.000 2.541 572 F HA 0.073 4.600 4.527 0.000 0.000 0.347 572 F C 1.236 177.132 175.800 0.159 0.000 1.242 572 F CA -0.727 57.352 58.000 0.131 0.000 1.123 572 F CB 0.145 39.201 39.000 0.093 0.000 1.354 572 F HN -0.442 nan 8.300 nan 0.000 0.621 573 K N 4.654 125.283 120.400 0.381 0.000 2.511 573 K HA -0.067 4.253 4.320 0.000 0.000 0.277 573 K C -0.141 176.615 176.600 0.259 0.000 1.025 573 K CA 0.578 57.004 56.287 0.232 0.000 1.112 573 K CB 0.473 33.123 32.500 0.250 0.000 0.859 573 K HN 0.545 nan 8.250 nan 0.000 0.485 574 K N 3.311 123.745 120.400 0.056 0.000 2.123 574 K HA 0.409 4.729 4.320 0.000 0.000 0.259 574 K C -0.842 175.755 176.600 -0.005 0.000 0.960 574 K CA -0.643 55.755 56.287 0.185 0.000 0.872 574 K CB 1.037 33.660 32.500 0.205 0.000 1.079 574 K HN 0.259 nan 8.250 nan 0.000 0.440 575 F N 0.753 120.877 119.950 0.290 0.000 2.561 575 F HA 0.260 4.787 4.527 0.000 0.000 0.313 575 F C -0.925 174.919 175.800 0.074 0.000 1.126 575 F CA -0.747 57.390 58.000 0.228 0.000 0.918 575 F CB 1.331 40.458 39.000 0.211 0.000 1.199 575 F HN 0.543 nan 8.300 nan 0.000 0.444 576 W N 6.465 127.695 121.300 -0.117 0.000 2.376 576 W HA 0.770 5.430 4.660 0.000 0.000 0.312 576 W C -1.826 174.676 176.519 -0.029 0.000 1.060 576 W CA -0.778 56.371 57.345 -0.326 0.000 1.221 576 W CB 0.931 29.887 29.460 -0.840 0.000 1.281 576 W HN 0.372 nan 8.180 nan 0.000 0.456 577 L N 7.568 128.532 121.223 -0.432 0.000 2.309 577 L HA 0.603 4.943 4.340 0.000 0.000 0.282 577 L C -0.763 175.703 176.870 -0.674 0.000 1.036 577 L CA -1.388 53.228 54.840 -0.373 0.000 0.806 577 L CB 1.246 43.182 42.059 -0.205 0.000 1.220 577 L HN 0.326 nan 8.230 nan 0.000 0.429 578 L N 3.282 124.268 121.223 -0.394 0.000 2.415 578 L HA 0.426 4.766 4.340 0.000 0.000 0.268 578 L C -0.661 176.146 176.870 -0.104 0.000 0.984 578 L CA -0.040 54.658 54.840 -0.237 0.000 0.853 578 L CB 0.821 42.888 42.059 0.014 0.000 1.215 578 L HN 0.447 nan 8.230 nan 0.000 0.419 579 H N 2.768 121.817 119.070 -0.035 0.000 2.502 579 H HA 0.718 5.274 4.556 0.000 0.000 0.327 579 H C -0.240 175.145 175.328 0.094 0.000 1.099 579 H CA -0.096 55.990 56.048 0.064 0.000 1.323 579 H CB 1.686 31.484 29.762 0.060 0.000 1.450 579 H HN 0.724 nan 8.280 nan 0.000 0.502 580 S N 1.703 117.557 115.700 0.258 0.000 2.697 580 S HA 0.392 4.862 4.470 0.000 0.000 0.289 580 S C 0.828 175.560 174.600 0.220 0.000 1.149 580 S CA -0.839 57.481 58.200 0.200 0.000 0.850 580 S CB 1.247 64.537 63.200 0.150 0.000 1.151 580 S HN 0.496 nan 8.310 nan 0.000 0.491 581 I N 0.828 121.492 120.570 0.156 0.000 2.270 581 I HA 0.075 4.245 4.170 0.000 0.000 0.239 581 I C 1.227 177.491 176.117 0.245 0.000 1.080 581 I CA 0.861 62.252 61.300 0.152 0.000 1.383 581 I CB -0.203 37.840 38.000 0.071 0.000 1.097 581 I HN 0.691 nan 8.210 nan 0.000 0.420 582 E N 0.612 120.902 120.200 0.149 0.000 2.351 582 E HA 0.127 4.477 4.350 0.000 0.000 0.255 582 E C -0.175 176.313 176.600 -0.186 0.000 1.188 582 E CA -0.508 55.939 56.400 0.079 0.000 0.940 582 E CB 0.377 30.072 29.700 -0.008 0.000 1.094 582 E HN 0.126 nan 8.360 nan 0.000 0.474 583 Q N 1.765 121.202 119.800 -0.605 0.000 2.332 583 Q HA 0.122 4.462 4.340 0.000 0.000 0.263 583 Q C -2.135 173.514 176.000 -0.584 0.000 0.979 583 Q CA -1.570 53.476 55.803 -1.263 0.000 0.885 583 Q CB 0.613 28.590 28.738 -1.267 0.000 1.218 583 Q HN 0.201 nan 8.270 nan 0.000 0.405 584 P HA 0.119 nan 4.420 nan 0.000 0.286 584 P C -1.621 175.559 177.300 -0.201 0.000 1.261 584 P CA -0.354 62.622 63.100 -0.207 0.000 0.821 584 P CB 0.983 32.637 31.700 -0.076 0.000 1.013 585 E N 2.493 122.624 120.200 -0.116 0.000 2.179 585 E HA 0.566 4.916 4.350 0.000 0.000 0.275 585 E C -0.835 175.742 176.600 -0.039 0.000 0.945 585 E CA -0.960 55.386 56.400 -0.091 0.000 0.792 585 E CB 1.203 30.855 29.700 -0.080 0.000 1.125 585 E HN 0.331 nan 8.360 nan 0.000 0.397 586 I N 2.830 123.382 120.570 -0.030 0.000 2.390 586 I HA 0.209 4.379 4.170 0.000 0.000 0.283 586 I C -0.578 175.536 176.117 -0.005 0.000 1.016 586 I CA -0.840 60.459 61.300 -0.002 0.000 1.151 586 I CB 1.257 39.264 38.000 0.012 0.000 1.293 586 I HN 0.425 nan 8.210 nan 0.000 0.458 587 K N 6.092 126.491 120.400 -0.001 0.000 2.530 587 K HA 0.695 5.015 4.320 0.000 0.000 0.230 587 K C 0.177 176.777 176.600 0.001 0.000 1.002 587 K CA 0.220 56.505 56.287 -0.003 0.000 1.014 587 K CB 0.770 33.266 32.500 -0.007 0.000 1.286 587 K HN 0.758 nan 8.250 nan 0.000 0.480 588 G N 3.694 112.495 108.800 0.002 0.000 2.523 588 G HA2 -0.384 3.576 3.960 0.000 0.000 0.271 588 G HA3 -0.384 3.576 3.960 0.000 0.000 0.271 588 G C 0.263 175.166 174.900 0.004 0.000 1.146 588 G CA 0.231 45.332 45.100 0.002 0.000 0.961 588 G HN 0.749 nan 8.290 nan 0.000 0.549 589 N N 1.302 120.002 118.700 0.000 0.000 2.383 589 N HA 0.190 4.930 4.740 0.000 0.000 0.192 589 N C 0.755 176.267 175.510 0.003 0.000 1.141 589 N CA 1.199 54.247 53.050 -0.003 0.000 0.851 589 N CB 0.387 38.866 38.487 -0.013 0.000 0.976 589 N HN 0.759 nan 8.380 nan 0.000 0.465 590 Q N 0.505 120.310 119.800 0.010 0.000 2.241 590 Q HA 0.573 4.913 4.340 0.000 0.000 0.254 590 Q C -1.119 174.900 176.000 0.031 0.000 0.917 590 Q CA -0.306 55.508 55.803 0.017 0.000 0.919 590 Q CB 1.147 29.891 28.738 0.011 0.000 1.237 590 Q HN 0.306 nan 8.270 nan 0.000 0.434 591 I N 2.763 123.363 120.570 0.050 0.000 2.439 591 I HA 0.337 4.507 4.170 0.000 0.000 0.285 591 I C -0.791 175.362 176.117 0.061 0.000 1.021 591 I CA -0.599 60.741 61.300 0.067 0.000 1.091 591 I CB 2.238 40.313 38.000 0.124 0.000 1.242 591 I HN 0.485 nan 8.210 nan 0.000 0.439 592 T N 6.975 121.547 114.554 0.030 0.000 2.770 592 T HA 0.589 4.939 4.350 0.000 0.000 0.297 592 T C -0.136 174.570 174.700 0.010 0.000 0.997 592 T CA -0.251 61.862 62.100 0.022 0.000 0.949 592 T CB 0.710 69.579 68.868 0.001 0.000 0.941 592 T HN 0.261 nan 8.240 nan 0.000 0.457 593 I N 3.526 124.118 120.570 0.037 0.000 2.354 593 I HA 0.429 4.599 4.170 0.000 0.000 0.292 593 I C 0.142 176.273 176.117 0.023 0.000 0.989 593 I CA -0.681 60.636 61.300 0.027 0.000 1.188 593 I CB 1.411 39.453 38.000 0.070 0.000 1.342 593 I HN 0.334 nan 8.210 nan 0.000 0.457 594 K N 5.785 126.182 120.400 -0.004 0.000 2.328 594 K HA 0.622 4.942 4.320 0.000 0.000 0.246 594 K C -0.837 175.754 176.600 -0.015 0.000 0.955 594 K CA -0.975 55.308 56.287 -0.007 0.000 0.817 594 K CB 2.171 34.658 32.500 -0.020 0.000 1.208 594 K HN 0.391 nan 8.250 nan 0.000 0.432 595 R N 0.805 121.292 120.500 -0.023 0.000 2.562 595 R HA 0.301 4.641 4.340 0.000 0.000 0.298 595 R C -0.076 176.204 176.300 -0.033 0.000 0.961 595 R CA -0.311 55.769 56.100 -0.033 0.000 0.881 595 R CB 1.821 32.084 30.300 -0.061 0.000 1.159 595 R HN 0.919 nan 8.270 nan 0.000 0.450 596 T N -1.718 112.821 114.554 -0.026 0.000 3.192 596 T HA 0.318 4.668 4.350 0.000 0.000 0.295 596 T C 0.190 174.881 174.700 -0.016 0.000 0.947 596 T CA -0.319 61.768 62.100 -0.021 0.000 0.916 596 T CB 0.531 69.388 68.868 -0.018 0.000 1.169 596 T HN 0.320 nan 8.240 nan 0.000 0.540 597 K N 1.098 121.488 120.400 -0.015 0.000 2.395 597 K HA 0.597 4.917 4.320 0.000 0.000 0.245 597 K C -0.379 176.217 176.600 -0.007 0.000 1.017 597 K CA -0.993 55.290 56.287 -0.006 0.000 0.852 597 K CB 1.119 33.620 32.500 0.001 0.000 1.311 597 K HN 0.023 nan 8.250 nan 0.000 0.452 598 N N 0.247 118.948 118.700 0.002 0.000 2.693 598 N HA -0.260 4.480 4.740 0.000 0.000 0.249 598 N C 0.494 176.006 175.510 0.004 0.000 1.119 598 N CA 0.975 54.029 53.050 0.008 0.000 0.717 598 N CB -1.191 37.304 38.487 0.014 0.000 1.071 598 N HN 0.978 nan 8.380 nan 0.000 0.555 599 G N -1.920 106.877 108.800 -0.004 0.000 2.205 599 G HA2 -0.322 3.638 3.960 0.000 0.000 0.261 599 G HA3 -0.322 3.638 3.960 0.000 0.000 0.261 599 G C -0.293 174.589 174.900 -0.029 0.000 0.980 599 G CA 0.316 45.411 45.100 -0.009 0.000 0.632 599 G HN 0.502 nan 8.290 nan 0.000 0.533 600 D N 0.331 120.706 120.400 -0.041 0.000 2.382 600 D HA 0.537 5.177 4.640 0.000 0.000 0.245 600 D C 1.257 177.506 176.300 -0.084 0.000 1.120 600 D CA 0.852 54.801 54.000 -0.084 0.000 0.890 600 D CB 1.398 42.142 40.800 -0.093 0.000 1.201 600 D HN 0.551 nan 8.370 nan 0.000 0.433 601 S N -0.444 115.185 115.700 -0.118 0.000 2.998 601 S HA 0.257 4.727 4.470 0.000 0.000 0.256 601 S C 0.753 175.306 174.600 -0.077 0.000 0.970 601 S CA -0.539 57.612 58.200 -0.081 0.000 1.238 601 S CB 0.031 63.194 63.200 -0.061 0.000 1.170 601 S HN 0.424 nan 8.310 nan 0.000 0.663 602 G N 1.929 110.654 108.800 -0.125 0.000 2.544 602 G HA2 0.493 4.453 3.960 0.000 0.000 0.242 602 G HA3 0.493 4.453 3.960 0.000 0.000 0.242 602 G C -0.635 174.287 174.900 0.037 0.000 1.247 602 G CA -0.331 44.743 45.100 -0.042 0.000 0.840 602 G HN 0.528 nan 8.290 nan 0.000 0.578 603 M N 1.579 121.249 119.600 0.116 0.000 2.446 603 M HA 0.664 5.144 4.480 0.000 0.000 0.294 603 M C -1.803 174.559 176.300 0.103 0.000 1.158 603 M CA -0.925 54.424 55.300 0.082 0.000 0.899 603 M CB 2.315 34.950 32.600 0.059 0.000 1.687 603 M HN 0.471 nan 8.290 nan 0.000 0.455 604 L N 4.982 126.260 121.223 0.092 0.000 2.362 604 L HA 0.819 5.159 4.340 0.000 0.000 0.275 604 L C -1.874 175.053 176.870 0.095 0.000 0.998 604 L CA -0.640 54.267 54.840 0.112 0.000 0.820 604 L CB 2.006 44.154 42.059 0.148 0.000 1.270 604 L HN 0.609 nan 8.230 nan 0.000 0.415 605 V N 3.986 123.953 119.914 0.088 0.000 2.483 605 V HA 0.446 4.566 4.120 0.000 0.000 0.297 605 V C -0.786 175.362 176.094 0.090 0.000 1.027 605 V CA -0.651 61.694 62.300 0.075 0.000 0.855 605 V CB 1.881 33.731 31.823 0.044 0.000 0.995 605 V HN 0.805 nan 8.190 nan 0.000 0.424 606 N N 2.289 121.052 118.700 0.104 0.000 2.372 606 N HA 0.506 5.246 4.740 0.000 0.000 0.285 606 N C -0.664 174.877 175.510 0.051 0.000 1.008 606 N CA -0.222 52.893 53.050 0.108 0.000 0.880 606 N CB 1.862 40.467 38.487 0.197 0.000 1.239 606 N HN 0.625 nan 8.380 nan 0.000 0.484 607 T N 2.176 116.741 114.554 0.018 0.000 2.743 607 T HA 0.540 4.890 4.350 0.000 0.000 0.292 607 T C -0.109 174.559 174.700 -0.054 0.000 0.972 607 T CA -0.535 61.558 62.100 -0.010 0.000 0.967 607 T CB 0.870 69.734 68.868 -0.007 0.000 0.926 607 T HN 0.619 nan 8.240 nan 0.000 0.459 608 A N 4.082 126.863 122.820 -0.066 0.000 2.350 608 A HA 0.503 4.823 4.320 0.000 0.000 0.293 608 A C 0.933 178.474 177.584 -0.072 0.000 1.231 608 A CA -0.429 51.542 52.037 -0.109 0.000 0.883 608 A CB -0.187 18.755 19.000 -0.097 0.000 1.133 608 A HN 0.987 nan 8.150 nan 0.000 0.533 609 L N 2.242 123.421 121.223 -0.074 0.000 2.425 609 L HA 0.325 4.665 4.340 0.000 0.000 0.215 609 L C -0.095 176.750 176.870 -0.041 0.000 1.065 609 L CA 0.607 55.418 54.840 -0.049 0.000 0.842 609 L CB 0.029 42.061 42.059 -0.044 0.000 1.033 609 L HN 0.550 nan 8.230 nan 0.000 0.474 610 L N -0.303 120.896 121.223 -0.040 0.000 2.455 610 L HA 0.430 4.770 4.340 0.000 0.000 0.264 610 L C -2.595 174.231 176.870 -0.074 0.000 0.968 610 L CA -1.934 52.885 54.840 -0.036 0.000 0.827 610 L CB 2.370 44.440 42.059 0.018 0.000 1.317 610 L HN -0.296 nan 8.230 nan 0.000 0.407 611 P HA 0.001 nan 4.420 nan 0.000 0.266 611 P C -1.091 176.175 177.300 -0.056 0.000 1.195 611 P CA -0.123 62.918 63.100 -0.099 0.000 0.768 611 P CB 0.324 31.952 31.700 -0.120 0.000 0.838 612 D N 1.833 122.208 120.400 -0.041 0.000 2.398 612 D HA 0.086 4.726 4.640 0.000 0.000 0.247 612 D C 1.274 177.558 176.300 -0.026 0.000 1.227 612 D CA -0.359 53.622 54.000 -0.032 0.000 0.980 612 D CB 0.204 40.988 40.800 -0.027 0.000 1.106 612 D HN 0.280 nan 8.370 nan 0.000 0.493 613 A N 0.928 123.736 122.820 -0.020 0.000 1.929 613 A HA -0.226 4.094 4.320 0.000 0.000 0.221 613 A C 2.272 179.848 177.584 -0.013 0.000 1.211 613 A CA 3.613 55.642 52.037 -0.014 0.000 0.657 613 A CB -1.467 17.526 19.000 -0.011 0.000 0.827 613 A HN 0.832 nan 8.150 nan 0.000 0.462 614 A N -0.974 121.838 122.820 -0.014 0.000 1.978 614 A HA -0.175 4.145 4.320 0.000 0.000 0.220 614 A C 1.838 179.413 177.584 -0.015 0.000 1.170 614 A CA 2.103 54.132 52.037 -0.013 0.000 0.636 614 A CB -0.430 18.562 19.000 -0.012 0.000 0.810 614 A HN 0.562 nan 8.150 nan 0.000 0.448 615 N N -0.877 117.809 118.700 -0.022 0.000 2.234 615 N HA 0.081 4.821 4.740 0.000 0.000 0.227 615 N C -0.429 175.063 175.510 -0.030 0.000 1.151 615 N CA 0.406 53.438 53.050 -0.029 0.000 0.865 615 N CB 0.193 38.656 38.487 -0.040 0.000 1.066 615 N HN 0.190 nan 8.380 nan 0.000 0.515 616 S N -0.046 115.644 115.700 -0.017 0.000 2.438 616 S HA 0.390 4.860 4.470 0.000 0.000 0.316 616 S C -0.929 173.678 174.600 0.013 0.000 1.084 616 S CA -0.714 57.484 58.200 -0.004 0.000 1.107 616 S CB 0.163 63.360 63.200 -0.006 0.000 0.981 616 S HN 0.144 nan 8.310 nan 0.000 0.466 617 N N 5.279 123.995 118.700 0.028 0.000 2.501 617 N HA 0.389 5.129 4.740 0.000 0.000 0.245 617 N C -1.094 174.457 175.510 0.067 0.000 0.974 617 N CA -0.196 52.875 53.050 0.036 0.000 0.941 617 N CB 0.920 39.421 38.487 0.024 0.000 1.122 617 N HN 0.648 nan 8.380 nan 0.000 0.507 618 I N 1.989 122.598 120.570 0.065 0.000 2.330 618 I HA 0.245 4.415 4.170 0.000 0.000 0.289 618 I C 0.108 176.276 176.117 0.085 0.000 1.001 618 I CA -0.268 61.087 61.300 0.092 0.000 1.193 618 I CB 1.514 39.563 38.000 0.081 0.000 1.345 618 I HN 0.097 nan 8.210 nan 0.000 0.461 619 T N 3.779 118.397 114.554 0.107 0.000 2.863 619 T HA 0.387 4.737 4.350 0.000 0.000 0.285 619 T C -0.117 174.648 174.700 0.108 0.000 1.009 619 T CA -0.708 61.446 62.100 0.090 0.000 0.989 619 T CB 1.746 70.661 68.868 0.079 0.000 1.004 619 T HN 0.655 nan 8.240 nan 0.000 0.455 620 S N 2.449 118.211 115.700 0.104 0.000 2.541 620 S HA 0.794 5.264 4.470 0.000 0.000 0.283 620 S C -0.521 174.186 174.600 0.178 0.000 1.196 620 S CA -0.742 57.559 58.200 0.168 0.000 1.062 620 S CB 0.326 63.628 63.200 0.170 0.000 1.009 620 S HN 0.616 nan 8.310 nan 0.000 0.502 621 I N 1.984 122.660 120.570 0.177 0.000 2.534 621 I HA 0.720 4.890 4.170 0.000 0.000 0.288 621 I C 0.401 176.451 176.117 -0.111 0.000 1.077 621 I CA -0.253 61.037 61.300 -0.017 0.000 1.051 621 I CB 1.919 39.853 38.000 -0.109 0.000 1.234 621 I HN 1.067 nan 8.210 nan 0.000 0.425 622 G N 3.167 111.639 108.800 -0.546 0.000 2.321 622 G HA2 0.585 4.545 3.960 0.000 0.000 0.296 622 G HA3 0.585 4.545 3.960 0.000 0.000 0.296 622 G C -0.575 173.326 174.900 -1.665 0.000 1.287 622 G CA 0.142 44.496 45.100 -1.243 0.000 0.846 622 G HN 1.179 nan 8.290 nan 0.000 0.508 623 G N -0.951 106.818 108.800 -1.719 0.000 2.728 623 G HA2 0.153 4.113 3.960 0.000 0.000 0.294 623 G HA3 0.153 4.113 3.960 0.000 0.000 0.294 623 G C -0.106 174.494 174.900 -0.500 0.000 1.342 623 G CA 0.012 44.599 45.100 -0.856 0.000 0.866 623 G HN 0.895 nan 8.290 nan 0.000 0.534 624 K N 1.148 121.378 120.400 -0.283 0.000 2.504 624 K HA 0.304 4.624 4.320 0.000 0.000 0.278 624 K C 1.639 178.119 176.600 -0.200 0.000 1.025 624 K CA 1.903 58.069 56.287 -0.202 0.000 1.093 624 K CB 0.050 32.480 32.500 -0.117 0.000 0.873 624 K HN 2.307 nan 8.250 nan 0.000 0.483 625 G N 3.355 112.055 108.800 -0.166 0.000 2.205 625 G HA2 -0.254 3.706 3.960 0.000 0.000 0.261 625 G HA3 -0.254 3.706 3.960 0.000 0.000 0.261 625 G C 0.613 175.465 174.900 -0.079 0.000 0.980 625 G CA 0.363 45.406 45.100 -0.096 0.000 0.632 625 G HN 0.593 nan 8.290 nan 0.000 0.533 626 K N 0.406 120.674 120.400 -0.220 0.000 2.477 626 K HA 0.140 4.460 4.320 0.000 0.000 0.208 626 K C 1.487 177.919 176.600 -0.280 0.000 1.117 626 K CA 0.709 56.866 56.287 -0.217 0.000 1.039 626 K CB 0.532 32.771 32.500 -0.436 0.000 0.937 626 K HN 0.473 nan 8.250 nan 0.000 0.570 627 D N 0.604 120.703 120.400 -0.501 0.000 2.221 627 D HA -0.171 4.470 4.640 0.000 0.000 0.204 627 D C 0.493 176.272 176.300 -0.869 0.000 0.982 627 D CA 0.845 54.372 54.000 -0.789 0.000 0.857 627 D CB -0.336 39.810 40.800 -1.090 0.000 0.934 627 D HN 0.223 nan 8.370 nan 0.000 0.475 628 F N -0.096 119.726 119.950 -0.214 0.000 2.623 628 F HA 0.207 4.734 4.527 0.000 0.000 0.361 628 F C 0.059 175.829 175.800 -0.051 0.000 1.469 628 F CA -1.461 56.188 58.000 -0.585 0.000 1.126 628 F CB 0.359 38.912 39.000 -0.744 0.000 1.221 628 F HN -0.094 nan 8.300 nan 0.000 0.536 629 W N 3.063 124.405 121.300 0.071 0.000 2.304 629 W HA 0.507 5.167 4.660 0.000 0.000 0.313 629 W C -1.371 175.278 176.519 0.216 0.000 1.323 629 W CA -0.236 57.160 57.345 0.084 0.000 1.223 629 W CB 1.435 30.867 29.460 -0.046 0.000 1.237 629 W HN -0.193 nan 8.180 nan 0.000 0.535 630 V N 9.159 128.857 119.914 -0.360 0.000 2.380 630 V HA 0.103 4.223 4.120 0.000 0.000 0.268 630 V C -0.476 175.466 176.094 -0.253 0.000 1.008 630 V CA -0.897 61.358 62.300 -0.074 0.000 0.823 630 V CB -0.159 31.812 31.823 0.248 0.000 1.053 630 V HN 0.455 nan 8.190 nan 0.000 0.446 631 F N 3.599 123.208 119.950 -0.569 0.000 2.635 631 F HA -0.093 4.434 4.527 0.000 0.000 0.228 631 F C 1.494 177.054 175.800 -0.400 0.000 1.029 631 F CA 1.485 59.288 58.000 -0.328 0.000 0.907 631 F CB -1.310 37.584 39.000 -0.177 0.000 0.893 631 F HN 0.855 nan 8.300 nan 0.000 0.845 632 G N -0.817 107.616 108.800 -0.611 0.000 2.307 632 G HA2 -0.142 3.818 3.960 0.000 0.000 0.210 632 G HA3 -0.142 3.818 3.960 0.000 0.000 0.210 632 G C 0.102 174.557 174.900 -0.742 0.000 1.005 632 G CA -0.098 44.764 45.100 -0.395 0.000 0.634 632 G HN 0.732 nan 8.290 nan 0.000 0.496 633 T N 1.091 115.037 114.554 -1.013 0.000 2.886 633 T HA 0.544 4.894 4.350 0.000 0.000 0.292 633 T C -0.720 173.504 174.700 -0.794 0.000 1.012 633 T CA -0.578 61.068 62.100 -0.756 0.000 0.982 633 T CB 2.011 70.513 68.868 -0.609 0.000 1.018 633 T HN 0.340 nan 8.240 nan 0.000 0.451 634 N N 1.567 120.019 118.700 -0.412 0.000 2.426 634 N HA 0.209 4.949 4.740 0.000 0.000 0.275 634 N C -1.069 174.278 175.510 -0.272 0.000 1.019 634 N CA -0.329 52.641 53.050 -0.132 0.000 0.941 634 N CB 0.706 39.263 38.487 0.117 0.000 1.123 634 N HN 0.587 nan 8.380 nan 0.000 0.486 635 Y N 2.282 122.635 120.300 0.089 0.000 2.767 635 Y HA 0.094 4.644 4.550 0.000 0.000 0.354 635 Y C 0.699 176.733 175.900 0.223 0.000 1.292 635 Y CA -0.472 57.687 58.100 0.098 0.000 1.749 635 Y CB -0.073 38.405 38.460 0.030 0.000 1.841 635 Y HN 0.340 nan 8.280 nan 0.000 0.454 636 T N 1.596 116.293 114.554 0.238 0.000 2.903 636 T HA -0.132 4.218 4.350 0.000 0.000 0.299 636 T C 0.359 175.144 174.700 0.142 0.000 1.041 636 T CA 0.541 62.781 62.100 0.233 0.000 1.138 636 T CB -0.013 68.910 68.868 0.092 0.000 1.040 636 T HN 0.553 nan 8.240 nan 0.000 0.524 637 N N 1.832 120.606 118.700 0.123 0.000 3.111 637 N HA 0.088 4.828 4.740 0.000 0.000 0.200 637 N C -1.805 173.702 175.510 -0.006 0.000 1.464 637 N CA -0.383 52.574 53.050 -0.155 0.000 0.758 637 N CB 0.615 38.581 38.487 -0.868 0.000 1.548 637 N HN 0.427 nan 8.380 nan 0.000 0.595 638 D N 1.300 121.713 120.400 0.021 0.000 2.339 638 D HA 0.287 4.927 4.640 0.000 0.000 0.245 638 D C -2.135 174.161 176.300 -0.007 0.000 1.115 638 D CA -0.950 53.066 54.000 0.027 0.000 0.917 638 D CB 0.737 41.546 40.800 0.014 0.000 1.192 638 D HN 0.296 nan 8.370 nan 0.000 0.428 639 P HA 0.004 nan 4.420 nan 0.000 0.268 639 P C -0.098 177.203 177.300 0.001 0.000 1.208 639 P CA 0.025 63.133 63.100 0.013 0.000 0.777 639 P CB 0.624 32.349 31.700 0.040 0.000 0.875 640 K N 2.850 123.249 120.400 -0.002 0.000 2.258 640 K HA 0.210 4.530 4.320 0.000 0.000 0.264 640 K C -2.113 174.493 176.600 0.010 0.000 1.007 640 K CA -1.499 54.787 56.287 -0.000 0.000 0.941 640 K CB -0.739 31.760 32.500 -0.002 0.000 0.966 640 K HN 0.354 nan 8.250 nan 0.000 0.480 641 P HA -0.106 nan 4.420 nan 0.000 0.260 641 P C 0.112 177.423 177.300 0.017 0.000 1.172 641 P CA 0.956 64.063 63.100 0.012 0.000 0.760 641 P CB 0.163 31.868 31.700 0.009 0.000 0.773 642 G N 2.002 110.815 108.800 0.021 0.000 2.314 642 G HA2 -0.135 3.825 3.960 0.000 0.000 0.292 642 G HA3 -0.135 3.825 3.960 0.000 0.000 0.292 642 G C 0.071 174.991 174.900 0.033 0.000 1.059 642 G CA 0.244 45.359 45.100 0.025 0.000 0.982 642 G HN 0.830 nan 8.290 nan 0.000 0.505 643 T N -3.395 111.184 114.554 0.040 0.000 2.883 643 T HA 0.573 4.923 4.350 0.000 0.000 0.301 643 T C -0.101 174.646 174.700 0.079 0.000 1.158 643 T CA 0.374 62.507 62.100 0.055 0.000 1.007 643 T CB 2.218 71.115 68.868 0.049 0.000 1.186 643 T HN 1.135 nan 8.240 nan 0.000 0.499 644 D N 1.204 121.675 120.400 0.117 0.000 2.697 644 D HA -0.184 4.456 4.640 0.000 0.000 0.235 644 D C 1.169 177.526 176.300 0.095 0.000 1.167 644 D CA 1.187 55.283 54.000 0.160 0.000 0.656 644 D CB -0.790 40.151 40.800 0.234 0.000 1.025 644 D HN 0.882 nan 8.370 nan 0.000 0.419 645 E N -0.729 119.515 120.200 0.073 0.000 2.393 645 E HA -0.177 4.173 4.350 0.000 0.000 0.201 645 E C 1.422 178.047 176.600 0.041 0.000 1.025 645 E CA 1.191 57.621 56.400 0.050 0.000 0.856 645 E CB -0.065 29.661 29.700 0.044 0.000 0.771 645 E HN 0.461 nan 8.360 nan 0.000 0.526 646 A N 0.743 123.587 122.820 0.041 0.000 2.390 646 A HA 0.275 4.595 4.320 0.000 0.000 0.232 646 A C 1.007 178.590 177.584 -0.001 0.000 1.233 646 A CA -0.204 51.845 52.037 0.020 0.000 0.907 646 A CB 0.182 19.194 19.000 0.020 0.000 0.967 646 A HN 0.242 nan 8.150 nan 0.000 0.512 647 L N 0.151 121.379 121.223 0.007 0.000 3.677 647 L HA -0.223 4.117 4.340 0.000 0.000 0.464 647 L C 0.764 177.588 176.870 -0.077 0.000 1.278 647 L CA 1.145 55.984 54.840 -0.001 0.000 0.806 647 L CB -1.771 40.299 42.059 0.018 0.000 1.610 647 L HN 0.612 nan 8.230 nan 0.000 0.867 648 E N -0.083 119.965 120.200 -0.253 0.000 2.478 648 E HA -0.146 4.204 4.350 0.000 0.000 0.198 648 E C 1.699 178.000 176.600 -0.499 0.000 1.046 648 E CA 0.699 56.811 56.400 -0.479 0.000 0.870 648 E CB -0.032 29.194 29.700 -0.789 0.000 0.818 648 E HN 0.773 nan 8.360 nan 0.000 0.527 649 R N 1.127 121.498 120.500 -0.215 0.000 2.285 649 R HA -0.000 4.340 4.340 0.000 0.000 0.213 649 R C 0.839 177.297 176.300 0.263 0.000 1.068 649 R CA 0.893 57.112 56.100 0.198 0.000 1.004 649 R CB -0.515 30.004 30.300 0.365 0.000 0.873 649 R HN 0.019 nan 8.270 nan 0.000 0.467 650 G N 0.787 109.652 108.800 0.108 0.000 2.755 650 G HA2 -0.255 3.705 3.960 0.000 0.000 0.686 650 G HA3 -0.255 3.705 3.960 0.000 0.000 0.686 650 G C -0.356 174.545 174.900 0.002 0.000 1.427 650 G CA 0.050 45.218 45.100 0.114 0.000 0.873 650 G HN 0.355 nan 8.290 nan 0.000 0.580 651 E N -0.871 119.327 120.200 -0.003 0.000 2.500 651 E HA 0.208 4.558 4.350 0.000 0.000 0.217 651 E C -0.111 176.198 176.600 -0.486 0.000 0.848 651 E CA -0.038 56.186 56.400 -0.295 0.000 1.217 651 E CB 0.712 30.268 29.700 -0.240 0.000 1.217 651 E HN 0.495 nan 8.360 nan 0.000 0.573 652 W N 1.637 122.939 121.300 0.004 0.000 2.819 652 W HA 0.411 5.071 4.660 0.000 0.000 0.337 652 W C -0.271 176.267 176.519 0.030 0.000 1.077 652 W CA -0.831 56.517 57.345 0.005 0.000 1.226 652 W CB 1.325 30.782 29.460 -0.004 0.000 1.419 652 W HN -0.170 nan 8.180 nan 0.000 0.502 653 R N 0.465 121.083 120.500 0.196 0.000 2.837 653 R HA 0.920 5.260 4.340 0.000 0.000 0.271 653 R C -1.951 174.391 176.300 0.069 0.000 0.993 653 R CA -0.955 55.134 56.100 -0.019 0.000 0.931 653 R CB 1.700 31.762 30.300 -0.397 0.000 1.206 653 R HN 0.277 nan 8.270 nan 0.000 0.474 654 V N 1.683 121.618 119.914 0.035 0.000 2.448 654 V HA 0.325 4.445 4.120 0.000 0.000 0.295 654 V C -0.512 175.671 176.094 0.149 0.000 1.025 654 V CA -0.681 61.694 62.300 0.126 0.000 0.859 654 V CB 1.602 33.536 31.823 0.185 0.000 0.988 654 V HN 0.778 nan 8.190 nan 0.000 0.431 655 E N 4.841 125.157 120.200 0.193 0.000 2.166 655 E HA 0.598 4.948 4.350 0.000 0.000 0.275 655 E C -1.134 175.643 176.600 0.295 0.000 0.941 655 E CA -0.520 56.046 56.400 0.277 0.000 0.784 655 E CB 2.532 32.434 29.700 0.335 0.000 1.115 655 E HN 0.532 nan 8.360 nan 0.000 0.399 656 I N 2.831 123.617 120.570 0.361 0.000 2.382 656 I HA 0.225 4.395 4.170 0.000 0.000 0.286 656 I C -0.170 176.116 176.117 0.283 0.000 1.002 656 I CA -0.472 61.014 61.300 0.310 0.000 1.135 656 I CB 1.534 39.736 38.000 0.337 0.000 1.288 656 I HN 0.483 nan 8.210 nan 0.000 0.448 657 T N 3.419 118.048 114.554 0.125 0.000 2.885 657 T HA 0.584 4.934 4.350 0.000 0.000 0.285 657 T C -2.817 171.886 174.700 0.005 0.000 1.019 657 T CA -2.582 59.520 62.100 0.002 0.000 1.010 657 T CB 1.847 70.582 68.868 -0.223 0.000 1.022 657 T HN 0.096 nan 8.240 nan 0.000 0.466 658 P HA 0.246 nan 4.420 nan 0.000 0.271 658 P C 0.761 178.032 177.300 -0.048 0.000 1.216 658 P CA -0.551 62.508 63.100 -0.069 0.000 0.776 658 P CB 0.677 32.316 31.700 -0.101 0.000 0.881 659 K N 1.644 122.023 120.400 -0.035 0.000 2.057 659 K HA -0.067 4.253 4.320 0.000 0.000 0.206 659 K C 0.684 177.271 176.600 -0.023 0.000 1.050 659 K CA 1.321 57.594 56.287 -0.023 0.000 0.935 659 K CB 0.024 32.514 32.500 -0.016 0.000 0.715 659 K HN 0.426 nan 8.250 nan 0.000 0.439 660 K N 0.823 121.205 120.400 -0.030 0.000 2.183 660 K HA 0.291 4.611 4.320 0.000 0.000 0.274 660 K C -1.016 175.565 176.600 -0.032 0.000 1.009 660 K CA -0.323 55.947 56.287 -0.027 0.000 0.888 660 K CB 1.528 34.012 32.500 -0.028 0.000 1.078 660 K HN -0.018 nan 8.250 nan 0.000 0.459 661 A N 2.403 125.209 122.820 -0.023 0.000 2.409 661 A HA 0.584 4.904 4.320 0.000 0.000 0.267 661 A C -0.672 176.891 177.584 -0.035 0.000 1.127 661 A CA -0.097 51.927 52.037 -0.022 0.000 0.795 661 A CB 0.328 19.321 19.000 -0.012 0.000 1.061 661 A HN 0.745 nan 8.150 nan 0.000 0.502 662 A N 1.326 124.120 122.820 -0.044 0.000 2.594 662 A HA 0.695 5.015 4.320 0.000 0.000 0.296 662 A C 0.675 178.220 177.584 -0.065 0.000 1.061 662 A CA 0.064 52.069 52.037 -0.054 0.000 0.689 662 A CB 0.184 19.150 19.000 -0.056 0.000 1.280 662 A HN 2.062 nan 8.150 nan 0.000 0.406 663 A N 0.534 123.312 122.820 -0.069 0.000 1.851 663 A HA 0.041 4.361 4.320 0.000 0.000 0.216 663 A C 0.969 178.496 177.584 -0.095 0.000 1.195 663 A CA 1.990 53.982 52.037 -0.076 0.000 0.622 663 A CB -0.407 18.552 19.000 -0.069 0.000 0.831 663 A HN 0.879 nan 8.150 nan 0.000 0.444 664 E N 0.346 120.477 120.200 -0.114 0.000 2.175 664 E HA 0.387 4.737 4.350 0.000 0.000 0.278 664 E C -1.633 174.821 176.600 -0.243 0.000 0.969 664 E CA -0.614 55.670 56.400 -0.193 0.000 0.796 664 E CB 0.669 30.272 29.700 -0.163 0.000 1.104 664 E HN 0.365 nan 8.360 nan 0.000 0.395 665 D N 2.947 123.119 120.400 -0.380 0.000 2.857 665 D HA 0.233 4.873 4.640 0.000 0.000 0.227 665 D C -1.475 174.476 176.300 -0.582 0.000 1.192 665 D CA -0.349 53.419 54.000 -0.386 0.000 0.857 665 D CB 1.245 41.849 40.800 -0.328 0.000 1.645 665 D HN 0.385 nan 8.370 nan 0.000 0.482 666 Y N 0.720 120.847 120.300 -0.288 0.000 2.377 666 Y HA 0.404 4.954 4.550 0.000 0.000 0.339 666 Y C -0.378 175.300 175.900 -0.370 0.000 1.011 666 Y CA -0.754 57.167 58.100 -0.298 0.000 1.093 666 Y CB 1.379 39.755 38.460 -0.141 0.000 1.201 666 Y HN 0.223 nan 8.280 nan 0.000 0.455 667 Y N 3.455 123.719 120.300 -0.060 0.000 2.341 667 Y HA 0.559 5.109 4.550 0.000 0.000 0.337 667 Y C -0.779 175.082 175.900 -0.065 0.000 1.014 667 Y CA -0.950 57.086 58.100 -0.106 0.000 1.111 667 Y CB 1.689 40.070 38.460 -0.132 0.000 1.194 667 Y HN 0.443 nan 8.280 nan 0.000 0.462 668 L N 5.354 126.629 121.223 0.086 0.000 2.446 668 L HA 0.557 4.897 4.340 0.000 0.000 0.268 668 L C -1.731 175.100 176.870 -0.066 0.000 0.975 668 L CA -0.456 54.441 54.840 0.095 0.000 0.848 668 L CB 0.961 43.110 42.059 0.151 0.000 1.225 668 L HN 0.605 nan 8.230 nan 0.000 0.410 669 N N 4.110 122.750 118.700 -0.099 0.000 2.295 669 N HA 0.582 5.322 4.740 0.000 0.000 0.293 669 N C -1.544 173.949 175.510 -0.028 0.000 1.040 669 N CA -0.382 52.572 53.050 -0.160 0.000 0.840 669 N CB 3.034 41.279 38.487 -0.404 0.000 1.468 669 N HN 0.308 nan 8.380 nan 0.000 0.478 670 V N 3.198 123.105 119.914 -0.012 0.000 2.448 670 V HA 0.544 4.664 4.120 0.000 0.000 0.295 670 V C 0.131 176.254 176.094 0.048 0.000 1.025 670 V CA -0.607 61.707 62.300 0.023 0.000 0.859 670 V CB 1.671 33.499 31.823 0.009 0.000 0.988 670 V HN 0.515 nan 8.190 nan 0.000 0.431 671 I N 4.262 124.872 120.570 0.067 0.000 2.441 671 I HA 0.506 4.676 4.170 0.000 0.000 0.295 671 I C -0.236 175.921 176.117 0.067 0.000 0.994 671 I CA -0.447 60.911 61.300 0.097 0.000 1.144 671 I CB 2.015 40.100 38.000 0.142 0.000 1.314 671 I HN 0.567 nan 8.210 nan 0.000 0.445 672 Q N 5.233 125.073 119.800 0.067 0.000 2.365 672 Q HA 0.595 4.935 4.340 0.000 0.000 0.269 672 Q C -1.316 174.708 176.000 0.040 0.000 1.061 672 Q CA -0.851 54.975 55.803 0.040 0.000 0.816 672 Q CB 3.106 31.865 28.738 0.036 0.000 1.325 672 Q HN 0.388 nan 8.270 nan 0.000 0.446 673 I N 1.724 122.294 120.570 -0.001 0.000 2.433 673 I HA 0.803 4.973 4.170 0.000 0.000 0.292 673 I C -0.287 175.776 176.117 -0.090 0.000 1.001 673 I CA -0.354 60.934 61.300 -0.020 0.000 1.119 673 I CB 1.024 38.997 38.000 -0.045 0.000 1.289 673 I HN 0.751 nan 8.210 nan 0.000 0.438 674 A N 4.919 127.744 122.820 0.008 0.000 2.564 674 A HA 0.561 4.881 4.320 0.000 0.000 0.291 674 A C -1.122 176.601 177.584 0.231 0.000 1.102 674 A CA -0.725 51.343 52.037 0.052 0.000 0.660 674 A CB 0.949 19.954 19.000 0.008 0.000 1.283 674 A HN 0.538 nan 8.150 nan 0.000 0.430 675 D N 0.813 121.349 120.400 0.227 0.000 2.378 675 D HA 0.085 4.725 4.640 0.000 0.000 0.238 675 D C 0.859 177.208 176.300 0.081 0.000 1.180 675 D CA 0.450 54.547 54.000 0.161 0.000 0.895 675 D CB 0.556 41.422 40.800 0.111 0.000 1.192 675 D HN 0.608 nan 8.370 nan 0.000 0.438 676 N N -1.203 117.523 118.700 0.044 0.000 2.515 676 N HA -0.125 4.615 4.740 0.000 0.000 0.185 676 N C 0.695 176.212 175.510 0.013 0.000 1.109 676 N CA 0.501 53.564 53.050 0.022 0.000 0.903 676 N CB -0.341 38.148 38.487 0.004 0.000 0.969 676 N HN 0.284 nan 8.380 nan 0.000 0.450 677 T N -3.929 110.635 114.554 0.016 0.000 3.214 677 T HA 0.152 4.502 4.350 0.000 0.000 0.264 677 T C 0.195 174.900 174.700 0.009 0.000 1.012 677 T CA -0.559 61.547 62.100 0.009 0.000 0.901 677 T CB -0.009 68.864 68.868 0.008 0.000 1.070 677 T HN -0.025 nan 8.240 nan 0.000 0.561 678 Q N 2.216 122.022 119.800 0.010 0.000 2.406 678 Q HA 0.265 4.605 4.340 0.000 0.000 0.242 678 Q C 1.306 177.298 176.000 -0.014 0.000 1.036 678 Q CA -0.383 55.419 55.803 -0.002 0.000 0.904 678 Q CB 0.712 29.449 28.738 -0.001 0.000 1.244 678 Q HN 0.228 nan 8.270 nan 0.000 0.478 679 Q N 2.123 121.914 119.800 -0.016 0.000 2.020 679 Q HA -0.120 4.220 4.340 0.000 0.000 0.202 679 Q C 0.007 175.989 176.000 -0.030 0.000 0.982 679 Q CA 1.218 57.010 55.803 -0.019 0.000 0.838 679 Q CB -0.173 28.556 28.738 -0.015 0.000 0.899 679 Q HN 0.250 nan 8.270 nan 0.000 0.423 680 K N 1.007 121.381 120.400 -0.044 0.000 2.234 680 K HA 0.340 4.660 4.320 0.000 0.000 0.277 680 K C -0.623 175.907 176.600 -0.116 0.000 1.038 680 K CA -0.035 56.213 56.287 -0.064 0.000 0.888 680 K CB 0.370 32.834 32.500 -0.059 0.000 1.091 680 K HN -0.046 nan 8.250 nan 0.000 0.467 681 L N 2.781 123.935 121.223 -0.115 0.000 2.347 681 L HA 0.452 4.792 4.340 0.000 0.000 0.268 681 L C 0.251 176.998 176.870 -0.203 0.000 1.019 681 L CA -1.317 53.412 54.840 -0.186 0.000 0.806 681 L CB 0.909 42.916 42.059 -0.087 0.000 1.339 681 L HN 0.636 nan 8.230 nan 0.000 0.463 682 H N 0.739 119.803 119.070 -0.010 0.000 2.582 682 H HA 0.110 4.666 4.556 0.000 0.000 0.345 682 H C -0.432 174.892 175.328 -0.007 0.000 1.104 682 H CA -0.201 55.842 56.048 -0.009 0.000 1.390 682 H CB 1.044 30.797 29.762 -0.015 0.000 1.461 682 H HN 0.439 nan 8.280 nan 0.000 0.551 683 E N 2.355 122.628 120.200 0.122 0.000 2.360 683 E HA 0.167 4.517 4.350 0.000 0.000 0.269 683 E C -0.854 175.777 176.600 0.051 0.000 1.022 683 E CA -0.496 55.942 56.400 0.063 0.000 0.887 683 E CB 0.670 30.397 29.700 0.046 0.000 0.990 683 E HN 0.227 nan 8.360 nan 0.000 0.426 684 V N 5.640 125.568 119.914 0.024 0.000 2.370 684 V HA 0.288 4.408 4.120 0.000 0.000 0.279 684 V C -0.004 176.077 176.094 -0.022 0.000 1.029 684 V CA -0.553 61.747 62.300 -0.001 0.000 0.870 684 V CB 1.158 32.980 31.823 -0.002 0.000 0.984 684 V HN 0.590 nan 8.190 nan 0.000 0.451 685 K N 4.148 124.521 120.400 -0.045 0.000 2.221 685 K HA 0.573 4.893 4.320 0.000 0.000 0.258 685 K C -0.478 176.071 176.600 -0.086 0.000 0.944 685 K CA -0.889 55.363 56.287 -0.058 0.000 0.823 685 K CB 2.672 35.134 32.500 -0.064 0.000 1.113 685 K HN 0.529 nan 8.250 nan 0.000 0.431 686 R N 2.801 123.254 120.500 -0.078 0.000 2.357 686 R HA 0.299 4.639 4.340 0.000 0.000 0.296 686 R C -0.579 175.652 176.300 -0.115 0.000 1.052 686 R CA -0.377 55.664 56.100 -0.099 0.000 0.988 686 R CB 0.480 30.734 30.300 -0.078 0.000 1.025 686 R HN 0.551 nan 8.270 nan 0.000 0.469 687 I N 4.345 124.813 120.570 -0.170 0.000 2.312 687 I HA 0.162 4.332 4.170 0.000 0.000 0.290 687 I C -0.481 175.545 176.117 -0.151 0.000 1.008 687 I CA -0.342 60.854 61.300 -0.173 0.000 1.226 687 I CB 1.429 39.227 38.000 -0.336 0.000 1.371 687 I HN 0.402 nan 8.210 nan 0.000 0.468 688 D N 5.971 126.331 120.400 -0.067 0.000 2.256 688 D HA 0.536 5.176 4.640 0.000 0.000 0.240 688 D C 0.097 176.413 176.300 0.026 0.000 1.062 688 D CA -0.026 53.946 54.000 -0.046 0.000 0.832 688 D CB 2.446 43.227 40.800 -0.032 0.000 1.135 688 D HN 0.687 nan 8.370 nan 0.000 0.484 689 G N 0.411 109.231 108.800 0.033 0.000 3.015 689 G HA2 0.174 4.134 3.960 0.000 0.000 0.281 689 G HA3 0.174 4.134 3.960 0.000 0.000 0.281 689 G C -0.884 174.085 174.900 0.115 0.000 1.386 689 G CA -0.555 44.627 45.100 0.136 0.000 0.959 689 G HN 0.304 nan 8.290 nan 0.000 0.522 690 D N 0.141 120.652 120.400 0.184 0.000 2.348 690 D HA 0.137 4.777 4.640 0.000 0.000 0.259 690 D C 0.627 177.048 176.300 0.201 0.000 1.296 690 D CA 0.302 54.407 54.000 0.174 0.000 0.931 690 D CB 0.180 41.100 40.800 0.199 0.000 1.067 690 D HN 0.547 nan 8.370 nan 0.000 0.503 691 K N 0.385 120.837 120.400 0.088 0.000 3.587 691 K HA -0.209 4.111 4.320 0.000 0.000 0.294 691 K C 0.162 176.672 176.600 -0.149 0.000 1.279 691 K CA 1.295 57.586 56.287 0.006 0.000 1.004 691 K CB -1.386 31.158 32.500 0.074 0.000 1.276 691 K HN 0.440 nan 8.250 nan 0.000 0.459 692 V N -2.891 116.943 119.914 -0.133 0.000 3.001 692 V HA 0.885 5.005 4.120 0.000 0.000 0.314 692 V C -0.397 175.557 176.094 -0.232 0.000 1.099 692 V CA -0.787 61.351 62.300 -0.270 0.000 0.989 692 V CB 2.225 33.829 31.823 -0.365 0.000 1.040 692 V HN -0.094 nan 8.190 nan 0.000 0.434 693 V N 1.721 121.437 119.914 -0.331 0.000 2.735 693 V HA 1.032 5.152 4.120 0.000 0.000 0.310 693 V C 0.295 176.156 176.094 -0.389 0.000 1.061 693 V CA 0.710 62.809 62.300 -0.335 0.000 0.913 693 V CB 1.601 33.206 31.823 -0.362 0.000 1.005 693 V HN 1.634 nan 8.190 nan 0.000 0.428 694 G N 3.743 112.325 108.800 -0.363 0.000 2.727 694 G HA2 0.690 4.650 3.960 0.000 0.000 0.289 694 G HA3 0.690 4.650 3.960 0.000 0.000 0.289 694 G C -1.873 172.858 174.900 -0.283 0.000 1.418 694 G CA -0.532 44.321 45.100 -0.411 0.000 0.818 694 G HN 0.884 nan 8.290 nan 0.000 0.486 695 V N -0.130 119.609 119.914 -0.291 0.000 2.735 695 V HA 0.679 4.799 4.120 0.000 0.000 0.310 695 V C -0.515 175.427 176.094 -0.253 0.000 1.061 695 V CA -0.674 61.506 62.300 -0.200 0.000 0.913 695 V CB 1.815 33.580 31.823 -0.097 0.000 1.005 695 V HN 0.825 nan 8.190 nan 0.000 0.428 696 Q N 4.538 124.218 119.800 -0.200 0.000 2.304 696 Q HA 0.822 5.162 4.340 0.000 0.000 0.270 696 Q C -1.759 174.169 176.000 -0.119 0.000 1.035 696 Q CA -0.595 55.085 55.803 -0.205 0.000 0.781 696 Q CB 2.308 30.896 28.738 -0.251 0.000 1.261 696 Q HN 0.843 nan 8.270 nan 0.000 0.444 697 L N 1.248 122.406 121.223 -0.108 0.000 2.582 697 L HA 0.920 5.260 4.340 0.000 0.000 0.257 697 L C -0.087 176.666 176.870 -0.196 0.000 0.974 697 L CA -0.199 54.583 54.840 -0.097 0.000 0.851 697 L CB 1.261 43.280 42.059 -0.066 0.000 1.424 697 L HN 0.843 nan 8.230 nan 0.000 0.412 698 A N 2.689 125.287 122.820 -0.370 0.000 5.476 698 A HA -0.329 3.991 4.320 0.000 0.000 0.327 698 A C 0.512 177.989 177.584 -0.178 0.000 1.778 698 A CA 1.805 53.541 52.037 -0.502 0.000 0.721 698 A CB -2.024 16.475 19.000 -0.835 0.000 1.388 698 A HN 1.478 nan 8.150 nan 0.000 0.397 699 D N 0.074 120.342 120.400 -0.220 0.000 2.894 699 D HA 0.397 5.037 4.640 0.000 0.000 0.248 699 D C 0.050 176.341 176.300 -0.015 0.000 1.291 699 D CA -0.193 53.679 54.000 -0.213 0.000 0.840 699 D CB -0.032 40.541 40.800 -0.378 0.000 1.044 699 D HN 0.446 nan 8.370 nan 0.000 0.484 700 R N 0.586 121.080 120.500 -0.012 0.000 2.513 700 R HA 0.525 4.865 4.340 0.000 0.000 0.301 700 R C -0.597 175.570 176.300 -0.222 0.000 0.968 700 R CA -0.648 55.385 56.100 -0.112 0.000 0.872 700 R CB 1.758 31.985 30.300 -0.122 0.000 1.177 700 R HN 0.154 nan 8.270 nan 0.000 0.444 701 I N 2.414 122.745 120.570 -0.398 0.000 2.404 701 I HA 0.417 4.587 4.170 0.000 0.000 0.293 701 I C -0.354 175.466 176.117 -0.495 0.000 0.992 701 I CA -0.982 59.994 61.300 -0.541 0.000 1.149 701 I CB 2.171 39.625 38.000 -0.910 0.000 1.315 701 I HN 0.081 nan 8.210 nan 0.000 0.446 702 V N 4.405 124.019 119.914 -0.500 0.000 2.656 702 V HA 0.612 4.732 4.120 0.000 0.000 0.307 702 V C -0.097 175.512 176.094 -0.809 0.000 1.051 702 V CA -0.479 61.451 62.300 -0.615 0.000 0.893 702 V CB 2.217 33.734 31.823 -0.509 0.000 0.999 702 V HN 0.850 nan 8.190 nan 0.000 0.426 703 T N 1.170 115.142 114.554 -0.969 0.000 2.907 703 T HA 0.866 5.216 4.350 0.000 0.000 0.292 703 T C -1.062 172.902 174.700 -1.228 0.000 1.043 703 T CA -0.541 60.971 62.100 -0.979 0.000 1.003 703 T CB 1.834 70.252 68.868 -0.750 0.000 1.084 703 T HN 0.214 nan 8.240 nan 0.000 0.483 704 F N 0.191 119.825 119.950 -0.526 0.000 2.603 704 F HA 0.669 5.196 4.527 0.000 0.000 0.317 704 F C 0.778 176.304 175.800 -0.457 0.000 1.066 704 F CA -1.253 56.468 58.000 -0.465 0.000 0.941 704 F CB 2.012 40.656 39.000 -0.594 0.000 1.291 704 F HN 0.733 nan 8.300 nan 0.000 0.472 705 S N 0.924 116.560 115.700 -0.105 0.000 2.560 705 S HA 0.063 4.533 4.470 0.000 0.000 0.284 705 S C 1.175 175.731 174.600 -0.073 0.000 1.327 705 S CA -0.369 57.752 58.200 -0.131 0.000 1.055 705 S CB 0.821 64.004 63.200 -0.028 0.000 0.868 705 S HN 0.794 nan 8.310 nan 0.000 0.506 706 K N 1.863 122.180 120.400 -0.139 0.000 2.147 706 K HA -0.087 4.233 4.320 0.000 0.000 0.205 706 K C 1.734 178.237 176.600 -0.161 0.000 1.049 706 K CA 1.832 58.013 56.287 -0.178 0.000 0.936 706 K CB -0.294 32.115 32.500 -0.151 0.000 0.722 706 K HN 0.878 nan 8.250 nan 0.000 0.446 707 T N -3.601 110.965 114.554 0.020 0.000 3.040 707 T HA 0.089 4.439 4.350 0.000 0.000 0.250 707 T C 0.844 175.718 174.700 0.290 0.000 1.058 707 T CA 0.386 62.594 62.100 0.179 0.000 0.988 707 T CB 0.395 69.347 68.868 0.140 0.000 0.993 707 T HN 0.120 nan 8.240 nan 0.000 0.519 708 S N 0.414 116.280 115.700 0.276 0.000 3.382 708 S HA -0.138 4.332 4.470 0.000 0.000 0.293 708 S C -0.086 174.621 174.600 0.178 0.000 1.262 708 S CA 0.807 59.180 58.200 0.288 0.000 0.969 708 S CB -1.047 62.324 63.200 0.286 0.000 1.136 708 S HN 0.744 nan 8.310 nan 0.000 0.635 709 E N 1.344 121.627 120.200 0.139 0.000 2.232 709 E HA 0.434 4.784 4.350 0.000 0.000 0.265 709 E C 0.384 177.042 176.600 0.096 0.000 1.001 709 E CA -0.351 56.114 56.400 0.108 0.000 0.870 709 E CB 0.594 30.349 29.700 0.092 0.000 1.175 709 E HN 0.317 nan 8.360 nan 0.000 0.407 710 T N 0.586 115.198 114.554 0.097 0.000 2.928 710 T HA 0.123 4.473 4.350 0.000 0.000 0.305 710 T C 0.283 175.047 174.700 0.107 0.000 1.035 710 T CA -0.238 61.925 62.100 0.105 0.000 1.145 710 T CB 0.252 69.189 68.868 0.115 0.000 0.963 710 T HN 0.091 nan 8.240 nan 0.000 0.545 711 V N 4.698 124.683 119.914 0.119 0.000 2.368 711 V HA 0.191 4.311 4.120 0.000 0.000 0.266 711 V C 0.717 176.998 176.094 0.311 0.000 1.045 711 V CA -0.432 61.967 62.300 0.166 0.000 0.899 711 V CB 0.807 32.649 31.823 0.032 0.000 1.006 711 V HN 1.010 nan 8.190 nan 0.000 0.470 712 D N 3.475 124.009 120.400 0.223 0.000 2.501 712 D HA 0.183 4.823 4.640 0.000 0.000 0.224 712 D C 0.492 176.856 176.300 0.107 0.000 1.202 712 D CA -0.372 53.721 54.000 0.156 0.000 0.829 712 D CB 0.561 41.416 40.800 0.091 0.000 1.023 712 D HN 0.248 nan 8.370 nan 0.000 0.499 713 R N 0.309 120.934 120.500 0.208 0.000 2.836 713 R HA 0.548 4.888 4.340 0.000 0.000 0.269 713 R C -2.884 173.610 176.300 0.323 0.000 1.010 713 R CA -2.038 54.167 56.100 0.175 0.000 0.930 713 R CB 0.529 30.920 30.300 0.151 0.000 1.218 713 R HN -0.062 nan 8.270 nan 0.000 0.473 714 P HA 0.231 nan 4.420 nan 0.000 0.271 714 P C -0.860 176.681 177.300 0.402 0.000 1.216 714 P CA 0.040 63.318 63.100 0.296 0.000 0.776 714 P CB 0.263 32.044 31.700 0.134 0.000 0.881 715 F N -0.053 120.095 119.950 0.330 0.000 2.692 715 F HA 0.932 5.459 4.527 0.000 0.000 0.320 715 F C -0.365 175.649 175.800 0.356 0.000 1.123 715 F CA -0.909 57.254 58.000 0.271 0.000 0.961 715 F CB 1.220 40.353 39.000 0.222 0.000 1.383 715 F HN 0.512 nan 8.300 nan 0.000 0.483 716 G N 0.040 109.108 108.800 0.447 0.000 2.623 716 G HA2 0.669 4.629 3.960 0.000 0.000 0.290 716 G HA3 0.669 4.629 3.960 0.000 0.000 0.290 716 G C -2.192 172.984 174.900 0.460 0.000 1.437 716 G CA -0.574 44.710 45.100 0.307 0.000 0.798 716 G HN 1.381 nan 8.290 nan 0.000 0.488 717 F N -1.539 118.603 119.950 0.321 0.000 2.741 717 F HA 0.847 5.374 4.527 0.000 0.000 0.313 717 F C -0.536 175.396 175.800 0.219 0.000 1.153 717 F CA -1.293 56.841 58.000 0.224 0.000 0.931 717 F CB 1.240 40.358 39.000 0.196 0.000 1.335 717 F HN 0.491 nan 8.300 nan 0.000 0.460 718 S N 0.773 116.701 115.700 0.380 0.000 2.549 718 S HA 0.805 5.275 4.470 0.000 0.000 0.297 718 S C -1.141 173.645 174.600 0.309 0.000 1.115 718 S CA -0.747 57.602 58.200 0.247 0.000 1.059 718 S CB 1.947 65.225 63.200 0.131 0.000 1.046 718 S HN 0.575 nan 8.310 nan 0.000 0.506 719 V N 3.070 123.129 119.914 0.242 0.000 2.483 719 V HA 0.475 4.595 4.120 0.000 0.000 0.297 719 V C -0.747 175.363 176.094 0.027 0.000 1.027 719 V CA -0.561 61.811 62.300 0.120 0.000 0.855 719 V CB 1.700 33.614 31.823 0.152 0.000 0.995 719 V HN 0.696 nan 8.190 nan 0.000 0.424 720 V N 3.619 123.508 119.914 -0.043 0.000 2.555 720 V HA 1.050 5.170 4.120 0.000 0.000 0.302 720 V C 0.475 176.553 176.094 -0.026 0.000 1.038 720 V CA 0.193 62.486 62.300 -0.012 0.000 0.887 720 V CB 1.292 33.119 31.823 0.006 0.000 0.991 720 V HN 1.250 nan 8.190 nan 0.000 0.434 721 G N 3.333 112.175 108.800 0.070 0.000 2.339 721 G HA2 0.162 4.122 3.960 0.000 0.000 0.381 721 G HA3 0.162 4.122 3.960 0.000 0.000 0.381 721 G C -1.610 173.474 174.900 0.307 0.000 1.400 721 G CA -1.005 44.202 45.100 0.178 0.000 1.002 721 G HN 0.465 nan 8.290 nan 0.000 0.633 722 K N 0.006 120.561 120.400 0.259 0.000 2.087 722 K HA 0.810 5.130 4.320 0.000 0.000 0.255 722 K C 0.833 177.476 176.600 0.072 0.000 0.988 722 K CA 0.685 57.074 56.287 0.170 0.000 0.915 722 K CB 1.095 33.644 32.500 0.081 0.000 1.043 722 K HN 2.390 nan 8.250 nan 0.000 0.457 723 G N 0.593 109.407 108.800 0.023 0.000 2.796 723 G HA2 -0.221 3.739 3.960 0.000 0.000 0.571 723 G HA3 -0.221 3.739 3.960 0.000 0.000 0.571 723 G C -0.767 174.035 174.900 -0.163 0.000 1.370 723 G CA -0.773 44.258 45.100 -0.114 0.000 0.856 723 G HN 0.455 nan 8.290 nan 0.000 0.538 724 T N 0.857 115.297 114.554 -0.191 0.000 2.856 724 T HA 0.581 4.931 4.350 0.000 0.000 0.292 724 T C -0.231 174.293 174.700 -0.293 0.000 0.980 724 T CA 0.361 62.416 62.100 -0.076 0.000 1.091 724 T CB 0.683 69.554 68.868 0.004 0.000 0.936 724 T HN 0.478 nan 8.240 nan 0.000 0.503 725 F N 1.610 121.608 119.950 0.080 0.000 2.492 725 F HA 0.453 4.980 4.527 0.000 0.000 0.327 725 F C 0.727 176.503 175.800 -0.039 0.000 1.079 725 F CA -1.174 56.785 58.000 -0.067 0.000 0.967 725 F CB 1.592 40.426 39.000 -0.276 0.000 1.169 725 F HN 0.259 nan 8.300 nan 0.000 0.472 726 K N 3.132 123.544 120.400 0.020 0.000 2.253 726 K HA 0.406 4.726 4.320 0.000 0.000 0.277 726 K C -1.377 175.086 176.600 -0.229 0.000 1.053 726 K CA -0.400 55.861 56.287 -0.043 0.000 0.892 726 K CB 0.697 33.257 32.500 0.100 0.000 1.102 726 K HN 0.290 nan 8.250 nan 0.000 0.469 727 F N 1.716 121.274 119.950 -0.654 0.000 2.394 727 F HA 0.277 4.804 4.527 0.000 0.000 0.340 727 F C 0.332 175.741 175.800 -0.651 0.000 1.105 727 F CA -0.874 56.674 58.000 -0.754 0.000 1.124 727 F CB 1.161 39.352 39.000 -1.348 0.000 1.145 727 F HN 0.068 nan 8.300 nan 0.000 0.505 728 V N 5.368 125.065 119.914 -0.361 0.000 2.443 728 V HA 0.419 4.539 4.120 0.000 0.000 0.293 728 V C -0.354 175.447 176.094 -0.489 0.000 1.021 728 V CA -0.772 61.275 62.300 -0.423 0.000 0.848 728 V CB 1.473 32.948 31.823 -0.580 0.000 0.998 728 V HN 0.629 nan 8.190 nan 0.000 0.424 729 M N 4.499 123.848 119.600 -0.419 0.000 2.243 729 M HA 0.619 5.099 4.480 0.000 0.000 0.324 729 M C -0.053 175.974 176.300 -0.455 0.000 1.031 729 M CA -0.332 54.695 55.300 -0.455 0.000 0.949 729 M CB 1.671 34.055 32.600 -0.360 0.000 1.615 729 M HN 0.650 nan 8.290 nan 0.000 0.430 730 T N -2.525 111.724 114.554 -0.510 0.000 2.919 730 T HA 0.477 4.827 4.350 0.000 0.000 0.282 730 T C 0.101 174.687 174.700 -0.190 0.000 1.020 730 T CA -0.451 61.437 62.100 -0.352 0.000 0.994 730 T CB 1.278 69.882 68.868 -0.441 0.000 1.180 730 T HN 0.765 nan 8.240 nan 0.000 0.566 731 D N -1.919 118.479 120.400 -0.004 0.000 2.945 731 D HA -0.123 4.517 4.640 0.000 0.000 0.225 731 D C 0.134 176.449 176.300 0.026 0.000 1.158 731 D CA 1.132 55.162 54.000 0.051 0.000 0.805 731 D CB -2.213 38.618 40.800 0.051 0.000 1.098 731 D HN 0.952 nan 8.370 nan 0.000 0.426 732 L N -0.158 121.081 121.223 0.028 0.000 2.325 732 L HA 0.731 5.071 4.340 0.000 0.000 0.279 732 L C 0.726 177.775 176.870 0.298 0.000 1.054 732 L CA -0.953 53.968 54.840 0.135 0.000 0.804 732 L CB 0.770 42.768 42.059 -0.103 0.000 1.200 732 L HN 0.169 nan 8.230 nan 0.000 0.436 733 L N 4.505 125.996 121.223 0.447 0.000 2.534 733 L HA 0.446 4.786 4.340 0.000 0.000 0.271 733 L C -1.946 175.147 176.870 0.372 0.000 1.178 733 L CA -1.024 54.012 54.840 0.327 0.000 0.907 733 L CB 0.380 42.582 42.059 0.238 0.000 1.164 733 L HN 0.572 nan 8.230 nan 0.000 0.482 734 P HA 0.400 nan 4.420 nan 0.000 0.266 734 P C 0.048 177.455 177.300 0.179 0.000 1.195 734 P CA 0.372 63.607 63.100 0.225 0.000 0.768 734 P CB 0.789 32.576 31.700 0.145 0.000 0.838 735 G N 1.364 110.283 108.800 0.198 0.000 2.302 735 G HA2 0.080 4.040 3.960 0.000 0.000 0.264 735 G HA3 0.080 4.040 3.960 0.000 0.000 0.264 735 G C -1.312 173.668 174.900 0.134 0.000 1.335 735 G CA -0.648 44.514 45.100 0.103 0.000 0.982 735 G HN 0.405 nan 8.290 nan 0.000 0.473 736 T N 0.992 115.560 114.554 0.023 0.000 2.743 736 T HA 0.547 4.897 4.350 0.000 0.000 0.293 736 T C -0.882 173.800 174.700 -0.029 0.000 0.945 736 T CA 0.275 62.408 62.100 0.055 0.000 1.030 736 T CB 0.724 69.603 68.868 0.019 0.000 0.912 736 T HN 0.426 nan 8.240 nan 0.000 0.483 737 W N 1.725 123.058 121.300 0.055 0.000 2.647 737 W HA 0.563 5.224 4.660 0.000 0.000 0.353 737 W C 0.234 176.772 176.519 0.032 0.000 1.080 737 W CA -0.875 56.510 57.345 0.067 0.000 1.208 737 W CB 1.286 30.821 29.460 0.125 0.000 1.396 737 W HN 0.498 nan 8.180 nan 0.000 0.573 738 Q N 1.308 121.261 119.800 0.255 0.000 2.340 738 Q HA 0.623 4.963 4.340 0.000 0.000 0.268 738 Q C -1.733 174.275 176.000 0.013 0.000 1.031 738 Q CA -0.560 55.299 55.803 0.093 0.000 0.804 738 Q CB 1.761 30.504 28.738 0.009 0.000 1.286 738 Q HN 0.371 nan 8.270 nan 0.000 0.448 739 V N 5.267 125.120 119.914 -0.102 0.000 2.347 739 V HA 0.405 4.525 4.120 0.000 0.000 0.280 739 V C -0.584 175.262 176.094 -0.415 0.000 1.021 739 V CA -0.669 61.413 62.300 -0.364 0.000 0.847 739 V CB 0.984 32.547 31.823 -0.433 0.000 0.990 739 V HN 0.702 nan 8.190 nan 0.000 0.444 740 L N 4.645 125.571 121.223 -0.495 0.000 2.334 740 L HA 0.685 5.025 4.340 0.000 0.000 0.272 740 L C -0.096 176.425 176.870 -0.582 0.000 1.020 740 L CA -0.136 54.437 54.840 -0.446 0.000 0.812 740 L CB 1.493 43.346 42.059 -0.344 0.000 1.264 740 L HN 0.579 nan 8.230 nan 0.000 0.439 741 K N 1.201 121.260 120.400 -0.567 0.000 2.513 741 K HA 0.279 4.599 4.320 0.000 0.000 0.251 741 K C -1.210 175.119 176.600 -0.453 0.000 0.939 741 K CA -0.489 55.375 56.287 -0.705 0.000 0.793 741 K CB 1.319 33.211 32.500 -1.014 0.000 1.241 741 K HN 0.651 nan 8.250 nan 0.000 0.431 742 D N 3.027 123.196 120.400 -0.385 0.000 2.737 742 D HA -0.221 4.419 4.640 0.000 0.000 0.233 742 D C 0.708 176.884 176.300 -0.207 0.000 1.155 742 D CA 1.895 55.746 54.000 -0.248 0.000 0.667 742 D CB -1.224 39.452 40.800 -0.205 0.000 1.060 742 D HN 1.087 nan 8.370 nan 0.000 0.427 743 G N -1.096 107.570 108.800 -0.223 0.000 2.241 743 G HA2 -0.338 3.622 3.960 0.000 0.000 0.244 743 G HA3 -0.338 3.622 3.960 0.000 0.000 0.244 743 G C 0.317 175.110 174.900 -0.179 0.000 0.998 743 G CA 0.555 45.548 45.100 -0.177 0.000 0.621 743 G HN 0.504 nan 8.290 nan 0.000 0.519 744 K N 0.169 120.445 120.400 -0.206 0.000 2.156 744 K HA 0.670 4.990 4.320 0.000 0.000 0.250 744 K C 0.445 176.906 176.600 -0.232 0.000 0.955 744 K CA -1.003 55.169 56.287 -0.190 0.000 0.855 744 K CB 1.824 34.221 32.500 -0.171 0.000 1.101 744 K HN 0.188 nan 8.250 nan 0.000 0.434 745 I N 3.314 123.765 120.570 -0.198 0.000 2.668 745 I HA -0.139 4.031 4.170 0.000 0.000 0.285 745 I C 1.044 176.998 176.117 -0.272 0.000 1.168 745 I CA 0.219 61.389 61.300 -0.215 0.000 1.424 745 I CB 0.401 38.312 38.000 -0.149 0.000 1.377 745 I HN 0.540 nan 8.210 nan 0.000 0.560 746 L N 8.323 129.319 121.223 -0.378 0.000 2.362 746 L HA 0.196 4.536 4.340 0.000 0.000 0.204 746 L C -0.253 176.231 176.870 -0.644 0.000 1.060 746 L CA 0.994 55.491 54.840 -0.571 0.000 0.827 746 L CB 0.186 41.787 42.059 -0.763 0.000 1.027 746 L HN 0.426 nan 8.230 nan 0.000 0.474 747 Y N -0.471 119.694 120.300 -0.225 0.000 2.488 747 Y HA 0.325 4.875 4.550 0.000 0.000 0.330 747 Y C -1.807 174.014 175.900 -0.131 0.000 1.013 747 Y CA -2.024 55.968 58.100 -0.179 0.000 1.304 747 Y CB 1.030 39.339 38.460 -0.252 0.000 1.098 747 Y HN 0.000 nan 8.280 nan 0.000 0.498 748 P HA -0.119 nan 4.420 nan 0.000 0.216 748 P C -0.055 177.264 177.300 0.032 0.000 1.150 748 P CA 1.143 64.248 63.100 0.008 0.000 0.837 748 P CB 0.541 32.242 31.700 0.001 0.000 0.786 749 A N -0.837 122.017 122.820 0.056 0.000 2.437 749 A HA 0.673 4.993 4.320 0.000 0.000 0.293 749 A C -1.301 176.322 177.584 0.065 0.000 1.038 749 A CA -0.424 51.650 52.037 0.062 0.000 0.708 749 A CB 0.725 19.750 19.000 0.042 0.000 1.251 749 A HN -0.030 nan 8.150 nan 0.000 0.409 750 L N 1.039 122.322 121.223 0.100 0.000 2.393 750 L HA 0.622 4.962 4.340 0.000 0.000 0.260 750 L C 0.088 177.054 176.870 0.159 0.000 1.002 750 L CA -0.694 54.197 54.840 0.086 0.000 0.818 750 L CB 2.583 44.670 42.059 0.047 0.000 1.369 750 L HN 0.647 nan 8.230 nan 0.000 0.412 751 S N 0.834 116.614 115.700 0.135 0.000 2.525 751 S HA 0.767 5.237 4.470 0.000 0.000 0.290 751 S C -0.398 174.314 174.600 0.186 0.000 1.152 751 S CA -0.516 57.783 58.200 0.165 0.000 1.072 751 S CB 1.694 64.961 63.200 0.111 0.000 1.027 751 S HN 0.607 nan 8.310 nan 0.000 0.500 752 A N 3.627 126.598 122.820 0.252 0.000 2.318 752 A HA 0.698 5.018 4.320 0.000 0.000 0.324 752 A C -0.577 177.112 177.584 0.175 0.000 1.170 752 A CA -0.764 51.398 52.037 0.207 0.000 0.810 752 A CB 0.646 19.812 19.000 0.275 0.000 1.198 752 A HN 0.735 nan 8.150 nan 0.000 0.484 753 K N 1.151 121.628 120.400 0.129 0.000 2.156 753 K HA 0.505 4.825 4.320 0.000 0.000 0.250 753 K C 1.430 178.090 176.600 0.099 0.000 0.955 753 K CA 0.053 56.401 56.287 0.102 0.000 0.855 753 K CB 1.587 34.132 32.500 0.075 0.000 1.101 753 K HN 0.696 nan 8.250 nan 0.000 0.434 754 G N 1.330 110.180 108.800 0.083 0.000 2.469 754 G HA2 -0.290 3.670 3.960 0.000 0.000 0.219 754 G HA3 -0.290 3.670 3.960 0.000 0.000 0.219 754 G C 0.797 175.739 174.900 0.070 0.000 1.150 754 G CA 1.032 46.179 45.100 0.078 0.000 0.763 754 G HN 0.636 nan 8.290 nan 0.000 0.561 755 D N 0.871 121.301 120.400 0.050 0.000 2.097 755 D HA -0.083 4.557 4.640 0.000 0.000 0.195 755 D C 2.141 178.469 176.300 0.047 0.000 0.989 755 D CA 1.633 55.649 54.000 0.026 0.000 0.827 755 D CB -0.173 40.618 40.800 -0.014 0.000 0.966 755 D HN 0.543 nan 8.370 nan 0.000 0.456 756 D N -1.944 118.514 120.400 0.097 0.000 2.417 756 D HA 0.142 4.782 4.640 0.000 0.000 0.207 756 D C 1.290 177.734 176.300 0.239 0.000 1.075 756 D CA 0.724 54.848 54.000 0.207 0.000 0.851 756 D CB -0.317 40.651 40.800 0.281 0.000 0.976 756 D HN 0.130 nan 8.370 nan 0.000 0.505 757 G N 0.229 109.122 108.800 0.157 0.000 2.295 757 G HA2 0.083 4.043 3.960 0.000 0.000 0.287 757 G HA3 0.083 4.043 3.960 0.000 0.000 0.287 757 G C 0.216 175.160 174.900 0.073 0.000 1.055 757 G CA 0.360 45.543 45.100 0.139 0.000 0.922 757 G HN 0.922 nan 8.290 nan 0.000 0.503 758 A N -0.676 122.170 122.820 0.043 0.000 2.498 758 A HA 0.885 5.205 4.320 0.000 0.000 0.298 758 A C -0.419 177.131 177.584 -0.055 0.000 1.075 758 A CA -0.742 51.256 52.037 -0.065 0.000 0.714 758 A CB 1.491 20.432 19.000 -0.098 0.000 1.299 758 A HN 0.766 nan 8.150 nan 0.000 0.407 759 L N 1.307 122.455 121.223 -0.124 0.000 2.329 759 L HA 0.552 4.892 4.340 0.000 0.000 0.279 759 L C -1.095 175.802 176.870 0.045 0.000 1.014 759 L CA -0.679 54.156 54.840 -0.009 0.000 0.814 759 L CB 1.775 43.820 42.059 -0.023 0.000 1.257 759 L HN 0.822 nan 8.230 nan 0.000 0.424 760 Y N 4.718 125.028 120.300 0.015 0.000 2.361 760 Y HA 0.652 5.202 4.550 0.000 0.000 0.337 760 Y C -1.119 174.845 175.900 0.108 0.000 0.965 760 Y CA -1.040 57.035 58.100 -0.040 0.000 1.091 760 Y CB 1.350 39.794 38.460 -0.027 0.000 1.182 760 Y HN 0.424 nan 8.280 nan 0.000 0.450 761 F N 1.843 121.344 119.950 -0.748 0.000 2.711 761 F HA 0.675 5.202 4.527 0.000 0.000 0.313 761 F C -1.528 173.975 175.800 -0.496 0.000 1.141 761 F CA -1.296 56.323 58.000 -0.635 0.000 0.941 761 F CB 1.253 40.005 39.000 -0.414 0.000 1.349 761 F HN 0.388 nan 8.300 nan 0.000 0.464 762 E N 0.080 120.291 120.200 0.019 0.000 2.227 762 E HA 0.738 5.088 4.350 0.000 0.000 0.268 762 E C -0.544 176.348 176.600 0.487 0.000 0.990 762 E CA -1.174 55.352 56.400 0.209 0.000 0.856 762 E CB 2.039 31.850 29.700 0.186 0.000 1.159 762 E HN 1.089 nan 8.360 nan 0.000 0.401 763 G N 0.392 109.495 108.800 0.504 0.000 2.404 763 G HA2 0.251 4.211 3.960 0.000 0.000 0.298 763 G HA3 0.251 4.211 3.960 0.000 0.000 0.298 763 G C -0.571 174.697 174.900 0.612 0.000 1.577 763 G CA -0.468 44.929 45.100 0.495 0.000 0.847 763 G HN 0.479 nan 8.290 nan 0.000 0.598 764 T N -1.817 113.006 114.554 0.447 0.000 2.852 764 T HA 0.680 5.030 4.350 0.000 0.000 0.281 764 T C 0.715 175.697 174.700 0.470 0.000 0.993 764 T CA 0.192 62.557 62.100 0.441 0.000 0.933 764 T CB 1.117 70.133 68.868 0.246 0.000 1.187 764 T HN 1.012 nan 8.240 nan 0.000 0.559 765 E N -0.310 120.108 120.200 0.364 0.000 2.438 765 E HA 0.468 4.818 4.350 0.000 0.000 0.261 765 E C 0.520 177.208 176.600 0.147 0.000 1.103 765 E CA -0.601 55.951 56.400 0.254 0.000 0.959 765 E CB -0.258 29.543 29.700 0.168 0.000 0.958 765 E HN 1.172 nan 8.360 nan 0.000 0.447 766 G N 0.138 108.996 108.800 0.096 0.000 2.356 766 G HA2 0.176 4.136 3.960 0.000 0.000 0.288 766 G HA3 0.176 4.136 3.960 0.000 0.000 0.288 766 G C -1.112 173.732 174.900 -0.094 0.000 1.302 766 G CA -0.360 44.690 45.100 -0.082 0.000 0.887 766 G HN 0.781 nan 8.290 nan 0.000 0.521 767 T N -0.480 113.938 114.554 -0.227 0.000 2.756 767 T HA 0.684 5.034 4.350 0.000 0.000 0.290 767 T C -0.947 173.527 174.700 -0.375 0.000 0.985 767 T CA -0.362 61.630 62.100 -0.180 0.000 0.955 767 T CB 0.300 69.106 68.868 -0.104 0.000 0.930 767 T HN 0.473 nan 8.240 nan 0.000 0.451 768 Y N 3.503 123.592 120.300 -0.351 0.000 2.352 768 Y HA 0.714 5.264 4.550 0.000 0.000 0.326 768 Y C 0.997 176.547 175.900 -0.584 0.000 1.166 768 Y CA -0.905 56.849 58.100 -0.576 0.000 1.182 768 Y CB 1.115 39.128 38.460 -0.745 0.000 1.216 768 Y HN 0.388 nan 8.280 nan 0.000 0.474 769 R N 1.972 122.100 120.500 -0.620 0.000 2.795 769 R HA 0.510 4.850 4.340 0.000 0.000 0.275 769 R C -2.031 173.762 176.300 -0.845 0.000 0.981 769 R CA -1.289 54.509 56.100 -0.504 0.000 0.917 769 R CB 1.778 31.906 30.300 -0.286 0.000 1.202 769 R HN 0.597 nan 8.270 nan 0.000 0.469 770 F N 2.159 121.897 119.950 -0.354 0.000 2.536 770 F HA 0.478 5.005 4.527 0.000 0.000 0.322 770 F C -0.050 175.791 175.800 0.070 0.000 1.144 770 F CA -0.596 57.267 58.000 -0.228 0.000 0.924 770 F CB 1.457 40.019 39.000 -0.730 0.000 1.181 770 F HN 0.034 nan 8.300 nan 0.000 0.438 771 L N 3.655 125.031 121.223 0.256 0.000 2.325 771 L HA 0.753 5.093 4.340 0.000 0.000 0.278 771 L C -0.135 176.692 176.870 -0.071 0.000 1.023 771 L CA -0.914 53.978 54.840 0.086 0.000 0.811 771 L CB 2.058 44.110 42.059 -0.013 0.000 1.249 771 L HN 0.565 nan 8.230 nan 0.000 0.431 772 R N 0.000 120.262 120.500 -0.397 0.000 2.786 772 R HA 0.000 4.340 4.340 0.000 0.000 0.208 772 R CA 0.000 55.587 56.100 -0.855 0.000 0.921 772 R CB 0.000 29.455 30.300 -1.409 0.000 0.687 772 R HN 0.000 nan 8.270 nan 0.000 0.535