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 1k32_1_A DATA FIRST_RESID 39 DATA SEQUENCE MPNLLLNPDI HGDRIIFVCC DDLWEHDLKS GSTRKIVSNL GVINNARFFP DATA SEQUENCE DGRKIAIRVM RGSSLNTADL YFYNGENGEI KRITYFSGKS TGRRMFTDVA DATA SEQUENCE GFDPDGNLII STDAMQPFSS MTCLYRVEND GINFVPLNLG PATHILFADG DATA SEQUENCE RRVIGRNTFE LPHWKGYRGG TRGKIWIEVN SGAFKKIVDM STHVSSPVIV DATA SEQUENCE GHRIYFITDI DGFGQIYSTD LDGKDLRKHT SFTDYYPRHL NTDGRRILFS DATA SEQUENCE KGGSIYIFNP DTEKIEKIEI GDLESPEDRI ISIPSKFAED FSPLDGDLIA DATA SEQUENCE FVSRGQAFIQ DVSGTYVLKV PEPLRIRYVR RGGDTKVAFI HGTREGDFLG DATA SEQUENCE IYDYRTGKAE KFEENLGNVF AMGVDRNGKF AVVANDRFEI MTVDLETGKP DATA SEQUENCE TVIERSREAM ITDFTISDNS RFIAYGFPLK HGETDGYVMQ AIHVYDMEGR DATA SEQUENCE KIFAATTENS HDYAPAFDAD SKNLYYLSYR SLDPSPDRVV LNFSFEVVSK DATA SEQUENCE PFVIPLIPGS PNPTKLVPRS MTSEAGEYDL NDMYKRSSPI NVDPGDYRMI DATA SEQUENCE IPLESSILIY SVPVHGEFAA YYQGAPEKGV LLKYDVKTRK VTEVKNNLTD DATA SEQUENCE LRLSADRKTV MVRKDDGKIY TFPLEKPEDE RTVETDKRPL VSSIHEEFLQ DATA SEQUENCE MYDEAWKLAR DNYWNEAVAK EISERIYEKY RNLVPLCKTR YDLSNVIVEM DATA SEQUENCE QGEYRTSHSY EMGGTFTDKD PFRSGRIACD FKLDGDHYVV AKAYAGDYSN DATA SEQUENCE EGEKSPIFEY GIDPTGYLIE DIDGETVGAG SNIYRVLSEK AGTSARIRLS DATA SEQUENCE GKGGDKRDLM IDILDDDRFI RYRSWVEANR RYVHERSKGT IGYIHIPDMG DATA SEQUENCE MMGLNEFYRL FINESSYQGL IVDVRFNGGG FVSQLIIEKL MNKRIGYDNP DATA SEQUENCE RRGTLSPYPT NSVRGKIIAI TNEYAGSDGD IFSFSFKKLG LGKLIGTRTW DATA SEQUENCE GGVVGITPKR RLIDGTVLTQ PEFAFWFRDA GFGVENYGVD PDVEIEYAPH DATA SEQUENCE DYLSGKDPQI DYAIDALIEE LRN 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 39 M HA 0.000 nan 4.480 nan 0.000 0.227 39 M C 0.000 176.261 176.300 -0.065 0.000 1.140 39 M CA 0.000 55.264 55.300 -0.060 0.000 0.988 39 M CB 0.000 32.566 32.600 -0.056 0.000 1.302 40 P HA 0.340 nan 4.420 nan 0.000 0.274 40 P C -1.214 176.027 177.300 -0.098 0.000 1.256 40 P CA -0.071 62.968 63.100 -0.100 0.000 0.795 40 P CB 0.784 32.417 31.700 -0.112 0.000 1.038 41 N N -0.532 118.091 118.700 -0.129 0.000 2.459 41 N HA 0.435 5.173 4.740 -0.004 0.000 0.288 41 N C -0.794 174.641 175.510 -0.124 0.000 1.186 41 N CA -0.707 52.276 53.050 -0.112 0.000 0.917 41 N CB 0.512 38.914 38.487 -0.143 0.000 1.219 41 N HN 0.291 nan 8.380 nan 0.000 0.525 42 L N 1.911 123.086 121.223 -0.081 0.000 2.283 42 L HA 0.381 4.719 4.340 -0.004 0.000 0.287 42 L C -1.318 175.505 176.870 -0.078 0.000 1.073 42 L CA 0.002 54.790 54.840 -0.086 0.000 0.822 42 L CB -0.156 41.873 42.059 -0.051 0.000 1.186 42 L HN 0.353 nan 8.230 nan 0.000 0.436 43 L N 6.563 127.703 121.223 -0.138 0.000 2.307 43 L HA 0.601 4.939 4.340 -0.004 0.000 0.282 43 L C -0.597 176.240 176.870 -0.054 0.000 1.051 43 L CA -0.614 54.140 54.840 -0.143 0.000 0.804 43 L CB 1.286 43.095 42.059 -0.418 0.000 1.197 43 L HN 0.575 nan 8.230 nan 0.000 0.431 44 L N 1.182 122.444 121.223 0.064 0.000 2.502 44 L HA 0.394 4.732 4.340 -0.004 0.000 0.253 44 L C -0.241 176.685 176.870 0.093 0.000 1.070 44 L CA -0.942 53.940 54.840 0.070 0.000 0.871 44 L CB 1.480 43.578 42.059 0.065 0.000 1.487 44 L HN 0.531 nan 8.230 nan 0.000 0.408 45 N N 1.031 119.710 118.700 -0.036 0.000 2.676 45 N HA -0.157 4.580 4.740 -0.004 0.000 0.290 45 N C -2.563 172.996 175.510 0.081 0.000 1.109 45 N CA -0.160 52.668 53.050 -0.369 0.000 0.779 45 N CB -0.917 37.165 38.487 -0.675 0.000 0.947 45 N HN 0.359 nan 8.380 nan 0.000 0.566 46 P HA 0.405 nan 4.420 nan 0.000 0.285 46 P C -0.820 176.754 177.300 0.457 0.000 1.285 46 P CA -0.094 63.245 63.100 0.398 0.000 0.854 46 P CB 1.926 33.822 31.700 0.326 0.000 1.180 47 D N -0.341 120.300 120.400 0.401 0.000 2.570 47 D HA 0.622 5.260 4.640 -0.004 0.000 0.244 47 D C -1.390 175.222 176.300 0.520 0.000 1.178 47 D CA -0.691 53.565 54.000 0.426 0.000 0.881 47 D CB 1.851 42.879 40.800 0.379 0.000 1.453 47 D HN 0.314 nan 8.370 nan 0.000 0.447 48 I N 0.937 121.815 120.570 0.514 0.000 2.802 48 I HA 0.493 4.660 4.170 -0.004 0.000 0.298 48 I C -1.998 174.238 176.117 0.199 0.000 1.176 48 I CA -0.687 60.854 61.300 0.402 0.000 1.025 48 I CB 2.076 40.221 38.000 0.243 0.000 1.243 48 I HN 0.485 nan 8.210 nan 0.000 0.424 49 H N 5.339 124.283 119.070 -0.210 0.000 3.240 49 H HA 0.549 5.103 4.556 -0.004 0.000 0.326 49 H C 0.128 175.294 175.328 -0.270 0.000 1.015 49 H CA 0.604 56.385 56.048 -0.446 0.000 1.504 49 H CB 1.182 30.250 29.762 -1.157 0.000 1.754 49 H HN 0.983 nan 8.280 nan 0.000 0.505 50 G N 3.986 112.539 108.800 -0.411 0.000 2.602 50 G HA2 -0.364 3.593 3.960 -0.004 0.000 0.310 50 G HA3 -0.364 3.593 3.960 -0.004 0.000 0.310 50 G C 0.561 175.403 174.900 -0.096 0.000 1.183 50 G CA 0.622 45.573 45.100 -0.250 0.000 0.979 50 G HN 0.624 nan 8.290 nan 0.000 0.545 51 D N 2.080 122.449 120.400 -0.051 0.000 2.368 51 D HA 0.180 4.817 4.640 -0.004 0.000 0.218 51 D C 1.033 177.360 176.300 0.044 0.000 1.112 51 D CA 0.238 54.237 54.000 -0.001 0.000 0.834 51 D CB 0.230 41.024 40.800 -0.011 0.000 0.953 51 D HN 0.341 nan 8.370 nan 0.000 0.505 52 R N 0.638 121.178 120.500 0.065 0.000 2.514 52 R HA 0.632 4.970 4.340 -0.004 0.000 0.301 52 R C -0.218 176.272 176.300 0.316 0.000 0.962 52 R CA -0.530 55.677 56.100 0.177 0.000 0.882 52 R CB 2.308 32.723 30.300 0.192 0.000 1.143 52 R HN -0.089 nan 8.270 nan 0.000 0.452 53 I N 4.805 125.625 120.570 0.416 0.000 2.466 53 I HA 0.397 4.565 4.170 -0.004 0.000 0.289 53 I C 0.049 176.473 176.117 0.512 0.000 1.026 53 I CA -0.910 60.687 61.300 0.496 0.000 1.078 53 I CB 1.982 40.241 38.000 0.432 0.000 1.249 53 I HN 0.519 nan 8.210 nan 0.000 0.429 54 I N 3.805 124.629 120.570 0.423 0.000 2.607 54 I HA 0.804 4.972 4.170 -0.004 0.000 0.305 54 I C -1.022 175.246 176.117 0.252 0.000 0.995 54 I CA -0.525 60.864 61.300 0.148 0.000 1.148 54 I CB 1.896 39.805 38.000 -0.151 0.000 1.323 54 I HN 0.537 nan 8.210 nan 0.000 0.461 55 F N 2.048 122.089 119.950 0.151 0.000 2.773 55 F HA 0.763 5.288 4.527 -0.004 0.000 0.314 55 F C -1.772 174.125 175.800 0.161 0.000 1.160 55 F CA -1.192 56.883 58.000 0.126 0.000 0.920 55 F CB 0.757 39.804 39.000 0.079 0.000 1.323 55 F HN 0.237 nan 8.300 nan 0.000 0.457 56 V N 1.381 121.501 119.914 0.342 0.000 2.472 56 V HA 0.626 4.743 4.120 -0.004 0.000 0.290 56 V C -0.665 175.656 176.094 0.380 0.000 1.037 56 V CA -0.564 61.908 62.300 0.287 0.000 0.908 56 V CB 1.309 33.259 31.823 0.211 0.000 0.985 56 V HN 1.066 nan 8.190 nan 0.000 0.454 57 C N 4.711 124.233 119.300 0.371 0.000 2.752 57 C HA 0.501 4.959 4.460 -0.004 0.000 0.360 57 C C 0.584 175.785 174.990 0.352 0.000 1.081 57 C CA -0.512 58.647 59.018 0.235 0.000 1.272 57 C CB -0.309 27.344 27.740 -0.145 0.000 1.754 57 C HN 1.169 nan 8.230 nan 0.000 0.483 58 C N 5.692 125.141 119.300 0.249 0.000 4.365 58 C HA -0.098 4.360 4.460 -0.004 0.000 0.299 58 C C 0.687 175.817 174.990 0.233 0.000 1.409 58 C CA 1.525 60.690 59.018 0.246 0.000 2.007 58 C CB -2.676 25.219 27.740 0.259 0.000 1.264 58 C HN 1.152 nan 8.230 nan 0.000 0.777 59 D N -1.979 118.561 120.400 0.234 0.000 2.946 59 D HA -0.132 4.506 4.640 -0.004 0.000 0.202 59 D C -0.107 176.243 176.300 0.084 0.000 1.068 59 D CA 2.150 56.237 54.000 0.146 0.000 1.011 59 D CB -0.694 40.167 40.800 0.102 0.000 1.105 59 D HN 0.708 nan 8.370 nan 0.000 0.425 60 D N -0.238 120.244 120.400 0.138 0.000 2.384 60 D HA 0.492 5.130 4.640 -0.004 0.000 0.250 60 D C 0.429 176.744 176.300 0.025 0.000 1.029 60 D CA -0.545 53.459 54.000 0.007 0.000 0.990 60 D CB 1.175 41.923 40.800 -0.087 0.000 1.175 60 D HN -0.033 nan 8.370 nan 0.000 0.532 61 L N 1.002 122.114 121.223 -0.185 0.000 2.289 61 L HA 0.386 4.723 4.340 -0.004 0.000 0.285 61 L C -1.204 175.436 176.870 -0.383 0.000 1.049 61 L CA -0.503 54.220 54.840 -0.194 0.000 0.804 61 L CB 0.776 42.688 42.059 -0.245 0.000 1.195 61 L HN 0.343 nan 8.230 nan 0.000 0.428 62 W N 2.866 123.841 121.300 -0.542 0.000 2.902 62 W HA 0.524 5.182 4.660 -0.004 0.000 0.346 62 W C -0.461 175.698 176.519 -0.600 0.000 1.139 62 W CA -0.457 56.514 57.345 -0.622 0.000 1.139 62 W CB 1.293 30.214 29.460 -0.898 0.000 1.439 62 W HN 0.320 nan 8.180 nan 0.000 0.558 63 E N 1.354 121.535 120.200 -0.032 0.000 2.234 63 E HA 0.200 4.548 4.350 -0.004 0.000 0.266 63 E C -1.525 175.252 176.600 0.295 0.000 0.877 63 E CA -0.608 55.855 56.400 0.105 0.000 0.758 63 E CB 1.503 31.273 29.700 0.115 0.000 1.170 63 E HN 0.530 nan 8.360 nan 0.000 0.415 64 H N 3.398 122.643 119.070 0.291 0.000 2.547 64 H HA 0.236 4.790 4.556 -0.004 0.000 0.342 64 H C -1.633 173.825 175.328 0.217 0.000 1.048 64 H CA -0.718 55.508 56.048 0.298 0.000 1.204 64 H CB 1.801 31.808 29.762 0.409 0.000 1.493 64 H HN 0.554 nan 8.280 nan 0.000 0.511 65 D N 4.693 124.892 120.400 -0.335 0.000 2.329 65 D HA 0.128 4.766 4.640 -0.004 0.000 0.232 65 D C 0.990 177.046 176.300 -0.405 0.000 1.088 65 D CA -0.485 53.379 54.000 -0.226 0.000 0.835 65 D CB 1.032 41.773 40.800 -0.098 0.000 1.078 65 D HN 0.567 nan 8.370 nan 0.000 0.495 66 L N 3.379 124.500 121.223 -0.169 0.000 2.201 66 L HA -0.065 4.273 4.340 -0.004 0.000 0.212 66 L C 2.318 179.159 176.870 -0.047 0.000 1.105 66 L CA 0.807 55.612 54.840 -0.058 0.000 0.775 66 L CB -0.246 41.839 42.059 0.042 0.000 0.913 66 L HN 0.487 nan 8.230 nan 0.000 0.440 67 K N 0.279 120.649 120.400 -0.051 0.000 2.007 67 K HA -0.143 4.174 4.320 -0.004 0.000 0.206 67 K C 2.308 178.889 176.600 -0.032 0.000 1.047 67 K CA 1.674 57.943 56.287 -0.029 0.000 0.937 67 K CB 0.033 32.521 32.500 -0.021 0.000 0.718 67 K HN 0.301 nan 8.250 nan 0.000 0.438 68 S N -1.362 114.309 115.700 -0.049 0.000 2.501 68 S HA 0.137 4.605 4.470 -0.004 0.000 0.220 68 S C 1.439 176.017 174.600 -0.037 0.000 0.997 68 S CA 0.559 58.739 58.200 -0.033 0.000 0.919 68 S CB 0.393 63.578 63.200 -0.024 0.000 0.778 68 S HN 0.588 nan 8.310 nan 0.000 0.523 69 G N 1.564 110.304 108.800 -0.100 0.000 2.179 69 G HA2 -0.304 3.654 3.960 -0.004 0.000 0.260 69 G HA3 -0.304 3.654 3.960 -0.004 0.000 0.260 69 G C 0.227 175.124 174.900 -0.003 0.000 0.977 69 G CA 0.362 45.436 45.100 -0.043 0.000 0.641 69 G HN 1.432 nan 8.290 nan 0.000 0.533 70 S N -0.091 115.581 115.700 -0.046 0.000 2.580 70 S HA 0.677 5.145 4.470 -0.004 0.000 0.274 70 S C 0.032 174.709 174.600 0.127 0.000 1.329 70 S CA 0.677 58.909 58.200 0.053 0.000 1.036 70 S CB 1.987 65.212 63.200 0.042 0.000 0.919 70 S HN 0.672 nan 8.310 nan 0.000 0.515 71 T N 2.703 117.410 114.554 0.255 0.000 2.876 71 T HA 0.702 5.050 4.350 -0.004 0.000 0.289 71 T C -0.481 174.436 174.700 0.362 0.000 1.014 71 T CA -0.808 61.526 62.100 0.390 0.000 0.986 71 T CB 1.405 70.543 68.868 0.449 0.000 1.021 71 T HN 0.847 nan 8.240 nan 0.000 0.458 72 R N 1.479 122.212 120.500 0.388 0.000 2.643 72 R HA 0.446 4.784 4.340 -0.004 0.000 0.269 72 R C -1.570 174.739 176.300 0.016 0.000 1.037 72 R CA -0.891 55.349 56.100 0.234 0.000 0.894 72 R CB 1.665 32.022 30.300 0.094 0.000 1.238 72 R HN 0.563 nan 8.270 nan 0.000 0.459 73 K N 5.112 125.202 120.400 -0.517 0.000 2.285 73 K HA 0.204 4.522 4.320 -0.004 0.000 0.286 73 K C 0.977 177.221 176.600 -0.593 0.000 1.072 73 K CA -0.334 55.279 56.287 -1.122 0.000 0.913 73 K CB 0.579 32.108 32.500 -1.619 0.000 1.067 73 K HN 0.663 nan 8.250 nan 0.000 0.479 74 I N 1.554 121.800 120.570 -0.540 0.000 3.462 74 I HA 0.153 4.320 4.170 -0.004 0.000 0.290 74 I C 0.068 175.795 176.117 -0.650 0.000 1.236 74 I CA -0.328 60.673 61.300 -0.498 0.000 1.418 74 I CB 0.833 38.541 38.000 -0.487 0.000 1.102 74 I HN 0.226 nan 8.210 nan 0.000 0.441 75 V N 1.961 121.520 119.914 -0.592 0.000 2.711 75 V HA 0.700 4.818 4.120 -0.004 0.000 0.304 75 V C -0.740 175.138 176.094 -0.360 0.000 1.097 75 V CA 0.222 62.242 62.300 -0.465 0.000 0.906 75 V CB 1.969 33.504 31.823 -0.480 0.000 1.015 75 V HN 0.517 nan 8.190 nan 0.000 0.427 76 S N 4.012 119.548 115.700 -0.274 0.000 2.685 76 S HA 0.608 5.076 4.470 -0.004 0.000 0.282 76 S C 0.078 174.584 174.600 -0.156 0.000 1.159 76 S CA 0.012 58.083 58.200 -0.214 0.000 0.833 76 S CB 1.562 64.629 63.200 -0.221 0.000 1.151 76 S HN 1.983 nan 8.310 nan 0.000 0.485 77 N N -0.700 117.930 118.700 -0.117 0.000 2.714 77 N HA -0.137 4.600 4.740 -0.004 0.000 0.250 77 N C 0.031 175.472 175.510 -0.115 0.000 1.117 77 N CA 1.140 54.134 53.050 -0.093 0.000 0.719 77 N CB -1.690 36.751 38.487 -0.076 0.000 1.081 77 N HN 0.677 nan 8.380 nan 0.000 0.557 78 L N -1.960 119.172 121.223 -0.152 0.000 2.556 78 L HA 0.396 4.734 4.340 -0.004 0.000 0.226 78 L C 1.523 178.294 176.870 -0.164 0.000 1.089 78 L CA 0.641 55.357 54.840 -0.207 0.000 0.864 78 L CB -0.121 41.735 42.059 -0.337 0.000 1.067 78 L HN 0.520 nan 8.230 nan 0.000 0.477 79 G N -0.434 108.291 108.800 -0.125 0.000 2.280 79 G HA2 -0.115 3.843 3.960 -0.004 0.000 0.277 79 G HA3 -0.115 3.843 3.960 -0.004 0.000 0.277 79 G C -1.122 173.724 174.900 -0.091 0.000 1.288 79 G CA -0.683 44.353 45.100 -0.107 0.000 1.075 79 G HN -0.283 nan 8.290 nan 0.000 0.480 80 V N 1.366 121.216 119.914 -0.106 0.000 2.368 80 V HA 0.444 4.561 4.120 -0.004 0.000 0.266 80 V C 0.768 176.747 176.094 -0.193 0.000 1.045 80 V CA -0.208 61.988 62.300 -0.174 0.000 0.899 80 V CB 0.652 32.287 31.823 -0.313 0.000 1.006 80 V HN 0.544 nan 8.190 nan 0.000 0.470 81 I N 5.162 125.654 120.570 -0.131 0.000 2.395 81 I HA 0.250 4.418 4.170 -0.004 0.000 0.289 81 I C 1.027 177.106 176.117 -0.063 0.000 1.023 81 I CA 0.064 61.318 61.300 -0.076 0.000 1.350 81 I CB 0.938 38.914 38.000 -0.041 0.000 1.409 81 I HN 0.841 nan 8.210 nan 0.000 0.507 82 N N 3.096 121.784 118.700 -0.020 0.000 2.193 82 N HA 0.115 4.853 4.740 -0.004 0.000 0.210 82 N C -0.112 175.464 175.510 0.110 0.000 1.215 82 N CA -0.364 52.729 53.050 0.073 0.000 0.901 82 N CB 0.500 39.037 38.487 0.083 0.000 1.060 82 N HN 0.535 nan 8.380 nan 0.000 0.508 83 N N -0.106 118.666 118.700 0.121 0.000 2.367 83 N HA 0.662 5.400 4.740 -0.004 0.000 0.278 83 N C -2.205 173.408 175.510 0.172 0.000 1.117 83 N CA -0.447 52.724 53.050 0.202 0.000 0.867 83 N CB 2.324 40.970 38.487 0.266 0.000 1.649 83 N HN 0.303 nan 8.380 nan 0.000 0.479 84 A N 2.257 125.200 122.820 0.204 0.000 2.465 84 A HA 0.740 5.058 4.320 -0.004 0.000 0.292 84 A C -1.384 176.295 177.584 0.158 0.000 1.041 84 A CA -0.703 51.416 52.037 0.137 0.000 0.718 84 A CB 1.212 20.236 19.000 0.039 0.000 1.266 84 A HN 0.464 nan 8.150 nan 0.000 0.403 85 R N 1.578 122.184 120.500 0.177 0.000 2.513 85 R HA 0.443 4.780 4.340 -0.004 0.000 0.301 85 R C -1.372 175.058 176.300 0.217 0.000 0.968 85 R CA -0.477 55.773 56.100 0.250 0.000 0.872 85 R CB 1.155 31.688 30.300 0.388 0.000 1.177 85 R HN 0.666 nan 8.270 nan 0.000 0.444 86 F N 2.207 122.254 119.950 0.162 0.000 2.518 86 F HA 0.150 4.675 4.527 -0.004 0.000 0.359 86 F C 0.994 176.644 175.800 -0.252 0.000 1.118 86 F CA 0.200 58.221 58.000 0.035 0.000 1.287 86 F CB 0.414 39.408 39.000 -0.010 0.000 1.132 86 F HN 0.326 nan 8.300 nan 0.000 0.587 87 F N 4.839 124.653 119.950 -0.227 0.000 2.440 87 F HA 0.145 4.670 4.527 -0.004 0.000 0.323 87 F C -0.858 174.605 175.800 -0.562 0.000 1.192 87 F CA -1.704 55.883 58.000 -0.689 0.000 1.252 87 F CB 0.034 38.810 39.000 -0.374 0.000 1.214 87 F HN 0.327 nan 8.300 nan 0.000 0.578 88 P HA -0.262 nan 4.420 nan 0.000 0.218 88 P C 0.541 177.797 177.300 -0.073 0.000 1.154 88 P CA 2.136 65.120 63.100 -0.193 0.000 0.872 88 P CB -0.128 31.500 31.700 -0.120 0.000 0.790 89 D N -1.908 118.433 120.400 -0.098 0.000 2.340 89 D HA 0.112 4.750 4.640 -0.004 0.000 0.220 89 D C 1.409 177.515 176.300 -0.323 0.000 1.039 89 D CA 0.453 54.395 54.000 -0.096 0.000 0.866 89 D CB -1.140 39.623 40.800 -0.062 0.000 0.913 89 D HN 0.291 nan 8.370 nan 0.000 0.523 90 G N 0.799 109.226 108.800 -0.622 0.000 2.179 90 G HA2 -0.374 3.584 3.960 -0.004 0.000 0.257 90 G HA3 -0.374 3.584 3.960 -0.004 0.000 0.257 90 G C 1.191 175.945 174.900 -0.244 0.000 1.010 90 G CA 0.531 45.095 45.100 -0.895 0.000 0.736 90 G HN 0.376 nan 8.290 nan 0.000 0.513 91 R N -0.337 120.082 120.500 -0.135 0.000 2.087 91 R HA 0.184 4.522 4.340 -0.004 0.000 0.216 91 R C 1.340 177.586 176.300 -0.090 0.000 1.114 91 R CA 0.840 56.882 56.100 -0.097 0.000 1.002 91 R CB 0.137 30.354 30.300 -0.140 0.000 0.903 91 R HN 0.469 nan 8.270 nan 0.000 0.445 92 K N 0.872 121.182 120.400 -0.149 0.000 2.166 92 K HA 0.485 4.803 4.320 -0.004 0.000 0.245 92 K C -0.905 175.788 176.600 0.155 0.000 0.967 92 K CA -0.458 55.698 56.287 -0.218 0.000 0.863 92 K CB 1.338 33.346 32.500 -0.820 0.000 1.107 92 K HN -0.115 nan 8.250 nan 0.000 0.436 93 I N 2.157 122.850 120.570 0.205 0.000 2.466 93 I HA 0.307 4.475 4.170 -0.004 0.000 0.289 93 I C -0.587 175.783 176.117 0.422 0.000 1.026 93 I CA -0.949 60.535 61.300 0.305 0.000 1.078 93 I CB 2.033 40.125 38.000 0.154 0.000 1.249 93 I HN 0.644 nan 8.210 nan 0.000 0.429 94 A N 7.796 130.894 122.820 0.463 0.000 2.301 94 A HA 0.834 5.152 4.320 -0.004 0.000 0.298 94 A C -0.546 177.249 177.584 0.351 0.000 1.185 94 A CA -0.221 52.132 52.037 0.527 0.000 0.830 94 A CB 0.359 19.610 19.000 0.418 0.000 1.112 94 A HN 0.669 nan 8.150 nan 0.000 0.508 95 I N 1.638 122.420 120.570 0.352 0.000 2.545 95 I HA 0.441 4.609 4.170 -0.004 0.000 0.292 95 I C 0.157 176.387 176.117 0.189 0.000 1.040 95 I CA -0.541 60.894 61.300 0.224 0.000 1.068 95 I CB 2.153 40.258 38.000 0.176 0.000 1.251 95 I HN 0.759 nan 8.210 nan 0.000 0.424 96 R N 5.300 125.879 120.500 0.132 0.000 2.255 96 R HA 0.714 5.051 4.340 -0.004 0.000 0.326 96 R C -1.698 174.642 176.300 0.067 0.000 0.986 96 R CA -0.397 55.761 56.100 0.096 0.000 0.847 96 R CB 1.773 32.126 30.300 0.088 0.000 1.111 96 R HN 0.522 nan 8.270 nan 0.000 0.452 97 V N 6.083 126.050 119.914 0.089 0.000 2.735 97 V HA 0.527 4.645 4.120 -0.004 0.000 0.310 97 V C -0.824 175.379 176.094 0.182 0.000 1.061 97 V CA -0.838 61.514 62.300 0.087 0.000 0.913 97 V CB 2.152 34.017 31.823 0.071 0.000 1.005 97 V HN 0.868 nan 8.190 nan 0.000 0.428 98 M N 6.047 125.688 119.600 0.069 0.000 2.472 98 M HA 0.678 5.156 4.480 -0.004 0.000 0.331 98 M C -0.286 176.019 176.300 0.008 0.000 1.170 98 M CA -0.441 54.903 55.300 0.075 0.000 1.009 98 M CB 2.186 34.734 32.600 -0.087 0.000 1.672 98 M HN 0.585 nan 8.290 nan 0.000 0.453 99 R N 0.075 120.559 120.500 -0.027 0.000 2.855 99 R HA 0.850 5.188 4.340 -0.004 0.000 0.266 99 R C -0.937 175.290 176.300 -0.121 0.000 1.034 99 R CA -0.821 55.155 56.100 -0.207 0.000 0.944 99 R CB 2.420 32.336 30.300 -0.639 0.000 1.219 99 R HN 0.949 nan 8.270 nan 0.000 0.474 100 G N 0.120 108.852 108.800 -0.113 0.000 2.907 100 G HA2 -0.230 3.727 3.960 -0.004 0.000 0.686 100 G HA3 -0.230 3.727 3.960 -0.004 0.000 0.686 100 G C 0.531 175.429 174.900 -0.003 0.000 1.115 100 G CA -0.123 44.945 45.100 -0.053 0.000 0.760 100 G HN 0.703 nan 8.290 nan 0.000 0.620 101 S N 0.346 116.065 115.700 0.031 0.000 2.389 101 S HA -0.151 4.317 4.470 -0.004 0.000 0.231 101 S C 2.022 176.739 174.600 0.196 0.000 1.052 101 S CA 2.416 60.680 58.200 0.107 0.000 1.053 101 S CB -0.169 63.086 63.200 0.092 0.000 0.886 101 S HN 1.494 nan 8.310 nan 0.000 0.456 102 S N 1.502 117.267 115.700 0.108 0.000 2.622 102 S HA 0.473 4.941 4.470 -0.004 0.000 0.236 102 S C 0.310 174.812 174.600 -0.163 0.000 0.956 102 S CA -0.118 58.121 58.200 0.065 0.000 0.971 102 S CB -0.592 62.637 63.200 0.049 0.000 0.782 102 S HN 0.554 nan 8.310 nan 0.000 0.468 103 L N 1.524 122.668 121.223 -0.133 0.000 3.678 103 L HA -0.309 4.029 4.340 -0.004 0.000 0.425 103 L C 1.031 177.811 176.870 -0.150 0.000 1.240 103 L CA 0.642 55.372 54.840 -0.183 0.000 0.876 103 L CB -2.226 39.623 42.059 -0.350 0.000 1.766 103 L HN 0.604 nan 8.230 nan 0.000 0.917 104 N N -1.090 117.554 118.700 -0.094 0.000 2.467 104 N HA -0.001 4.737 4.740 -0.004 0.000 0.184 104 N C 0.582 176.068 175.510 -0.039 0.000 1.106 104 N CA 0.560 53.562 53.050 -0.081 0.000 0.892 104 N CB 0.252 38.703 38.487 -0.061 0.000 0.969 104 N HN 0.559 nan 8.380 nan 0.000 0.454 105 T N -2.841 111.721 114.554 0.013 0.000 2.907 105 T HA 0.823 5.170 4.350 -0.004 0.000 0.292 105 T C -0.799 174.019 174.700 0.197 0.000 1.043 105 T CA -0.888 61.274 62.100 0.104 0.000 1.003 105 T CB 2.213 71.190 68.868 0.182 0.000 1.084 105 T HN 0.182 nan 8.240 nan 0.000 0.483 106 A N 1.534 124.447 122.820 0.156 0.000 2.572 106 A HA 0.845 5.163 4.320 -0.004 0.000 0.295 106 A C -1.601 175.847 177.584 -0.226 0.000 1.072 106 A CA -0.696 51.387 52.037 0.077 0.000 0.691 106 A CB 1.816 20.827 19.000 0.018 0.000 1.291 106 A HN 0.847 nan 8.150 nan 0.000 0.404 107 D N -0.320 119.805 120.400 -0.458 0.000 2.622 107 D HA 0.519 5.157 4.640 -0.004 0.000 0.255 107 D C -1.242 174.851 176.300 -0.345 0.000 1.246 107 D CA -0.218 53.405 54.000 -0.629 0.000 0.795 107 D CB 1.667 41.700 40.800 -1.278 0.000 1.369 107 D HN 0.480 nan 8.370 nan 0.000 0.425 108 L N 0.962 121.995 121.223 -0.316 0.000 2.334 108 L HA 0.565 4.903 4.340 -0.004 0.000 0.272 108 L C -0.825 175.932 176.870 -0.188 0.000 1.020 108 L CA -0.724 54.053 54.840 -0.106 0.000 0.812 108 L CB 0.915 42.944 42.059 -0.051 0.000 1.264 108 L HN 0.296 nan 8.230 nan 0.000 0.439 109 Y N 0.373 120.631 120.300 -0.071 0.000 2.605 109 Y HA 0.547 5.095 4.550 -0.004 0.000 0.343 109 Y C -0.614 175.445 175.900 0.266 0.000 1.036 109 Y CA -0.850 57.237 58.100 -0.023 0.000 1.065 109 Y CB 2.076 40.559 38.460 0.038 0.000 1.288 109 Y HN 0.259 nan 8.280 nan 0.000 0.481 110 F N 1.331 121.442 119.950 0.269 0.000 2.495 110 F HA 0.356 4.881 4.527 -0.003 0.000 0.327 110 F C -1.117 174.828 175.800 0.242 0.000 1.103 110 F CA -1.132 57.010 58.000 0.236 0.000 0.949 110 F CB 1.726 40.800 39.000 0.123 0.000 1.142 110 F HN 0.396 nan 8.300 nan 0.000 0.457 111 Y N 4.021 124.484 120.300 0.270 0.000 2.341 111 Y HA 0.351 4.898 4.550 -0.004 0.000 0.338 111 Y C -1.026 174.907 175.900 0.055 0.000 0.965 111 Y CA -1.146 57.032 58.100 0.130 0.000 1.108 111 Y CB 1.151 39.653 38.460 0.070 0.000 1.180 111 Y HN 0.458 nan 8.280 nan 0.000 0.458 112 N N 3.698 121.957 118.700 -0.735 0.000 2.511 112 N HA 0.226 4.964 4.740 -0.004 0.000 0.249 112 N C 0.718 175.723 175.510 -0.842 0.000 0.971 112 N CA 0.332 53.027 53.050 -0.591 0.000 0.938 112 N CB 1.586 39.885 38.487 -0.313 0.000 1.131 112 N HN 1.069 nan 8.380 nan 0.000 0.505 113 G N 2.074 110.495 108.800 -0.632 0.000 2.498 113 G HA2 -0.218 3.740 3.960 -0.004 0.000 0.219 113 G HA3 -0.218 3.740 3.960 -0.004 0.000 0.219 113 G C 1.212 176.013 174.900 -0.166 0.000 1.119 113 G CA 0.473 45.385 45.100 -0.314 0.000 0.766 113 G HN 0.539 nan 8.290 nan 0.000 0.552 114 E N 1.582 121.678 120.200 -0.174 0.000 2.031 114 E HA -0.114 4.234 4.350 -0.004 0.000 0.193 114 E C 2.176 178.721 176.600 -0.093 0.000 0.994 114 E CA 1.668 58.005 56.400 -0.106 0.000 0.800 114 E CB -0.026 29.611 29.700 -0.105 0.000 0.752 114 E HN 0.615 nan 8.360 nan 0.000 0.447 115 N N -2.084 116.543 118.700 -0.123 0.000 2.197 115 N HA 0.161 4.899 4.740 -0.004 0.000 0.201 115 N C 0.697 176.161 175.510 -0.078 0.000 1.148 115 N CA 0.646 53.647 53.050 -0.082 0.000 0.883 115 N CB 0.709 39.155 38.487 -0.069 0.000 1.012 115 N HN 0.165 nan 8.380 nan 0.000 0.507 116 G N 0.314 109.020 108.800 -0.156 0.000 2.182 116 G HA2 -0.329 3.629 3.960 -0.004 0.000 0.248 116 G HA3 -0.329 3.629 3.960 -0.004 0.000 0.248 116 G C -0.507 174.374 174.900 -0.031 0.000 1.042 116 G CA 0.249 45.303 45.100 -0.078 0.000 0.775 116 G HN 0.637 nan 8.290 nan 0.000 0.501 117 E N -0.395 119.730 120.200 -0.124 0.000 2.289 117 E HA 0.554 4.901 4.350 -0.004 0.000 0.278 117 E C -0.306 176.328 176.600 0.055 0.000 1.032 117 E CA -0.895 55.493 56.400 -0.020 0.000 0.854 117 E CB 0.630 30.311 29.700 -0.032 0.000 1.046 117 E HN 0.321 nan 8.360 nan 0.000 0.409 118 I N 4.074 124.739 120.570 0.157 0.000 2.433 118 I HA 0.407 4.575 4.170 -0.004 0.000 0.292 118 I C -1.452 174.814 176.117 0.248 0.000 1.001 118 I CA -0.478 60.980 61.300 0.264 0.000 1.119 118 I CB 1.444 39.592 38.000 0.247 0.000 1.289 118 I HN 0.397 nan 8.210 nan 0.000 0.438 119 K N 6.166 126.745 120.400 0.298 0.000 2.535 119 K HA 0.457 4.775 4.320 -0.004 0.000 0.251 119 K C -1.129 175.399 176.600 -0.119 0.000 0.942 119 K CA -0.618 55.750 56.287 0.135 0.000 0.798 119 K CB 1.311 33.854 32.500 0.070 0.000 1.267 119 K HN 0.606 nan 8.250 nan 0.000 0.434 120 R N 5.159 125.356 120.500 -0.506 0.000 2.442 120 R HA 0.190 4.527 4.340 -0.004 0.000 0.291 120 R C 0.269 176.131 176.300 -0.730 0.000 1.069 120 R CA -0.165 55.184 56.100 -1.251 0.000 1.022 120 R CB 0.379 29.902 30.300 -1.294 0.000 0.976 120 R HN 0.674 nan 8.270 nan 0.000 0.443 121 I N 2.270 122.374 120.570 -0.776 0.000 3.339 121 I HA -0.002 4.165 4.170 -0.004 0.000 0.285 121 I C 0.917 176.785 176.117 -0.414 0.000 1.201 121 I CA 0.767 61.716 61.300 -0.584 0.000 1.434 121 I CB -0.384 37.115 38.000 -0.836 0.000 1.152 121 I HN 0.641 nan 8.210 nan 0.000 0.443 122 T N -1.980 112.188 114.554 -0.644 0.000 2.863 122 T HA 0.530 4.878 4.350 -0.004 0.000 0.285 122 T C -0.795 173.329 174.700 -0.961 0.000 1.009 122 T CA -0.350 61.285 62.100 -0.775 0.000 0.989 122 T CB 1.876 70.240 68.868 -0.840 0.000 1.004 122 T HN 0.026 nan 8.240 nan 0.000 0.455 123 Y N 1.568 121.383 120.300 -0.809 0.000 2.617 123 Y HA 0.430 4.977 4.550 -0.004 0.000 0.328 123 Y C 0.499 176.211 175.900 -0.312 0.000 0.946 123 Y CA -1.517 56.325 58.100 -0.430 0.000 1.241 123 Y CB -0.251 38.092 38.460 -0.195 0.000 1.226 123 Y HN 0.761 nan 8.280 nan 0.000 0.582 124 F N -1.375 118.462 119.950 -0.188 0.000 2.530 124 F HA 0.001 4.526 4.527 -0.004 0.000 0.292 124 F C 1.613 177.333 175.800 -0.132 0.000 1.109 124 F CA 0.376 58.256 58.000 -0.200 0.000 1.450 124 F CB 0.287 39.090 39.000 -0.328 0.000 1.114 124 F HN 0.108 nan 8.300 nan 0.000 0.560 125 S N 1.234 116.944 115.700 0.018 0.000 3.711 125 S HA -0.142 4.326 4.470 -0.004 0.000 0.374 125 S C 0.454 175.078 174.600 0.040 0.000 0.969 125 S CA -0.028 58.204 58.200 0.053 0.000 1.198 125 S CB -1.650 61.623 63.200 0.122 0.000 0.903 125 S HN 0.608 nan 8.310 nan 0.000 0.493 126 G N 1.721 110.528 108.800 0.012 0.000 2.414 126 G HA2 0.270 4.228 3.960 -0.004 0.000 0.236 126 G HA3 0.270 4.228 3.960 -0.004 0.000 0.236 126 G C -0.012 174.880 174.900 -0.014 0.000 1.293 126 G CA -0.309 44.783 45.100 -0.012 0.000 0.869 126 G HN 0.697 nan 8.290 nan 0.000 0.556 127 K N 0.609 120.986 120.400 -0.038 0.000 2.326 127 K HA 0.386 4.704 4.320 -0.004 0.000 0.275 127 K C 0.141 176.678 176.600 -0.104 0.000 1.018 127 K CA 0.097 56.345 56.287 -0.065 0.000 0.962 127 K CB 1.112 33.561 32.500 -0.085 0.000 0.953 127 K HN 0.399 nan 8.250 nan 0.000 0.475 128 S N 1.087 116.703 115.700 -0.140 0.000 2.540 128 S HA 0.503 4.971 4.470 -0.004 0.000 0.275 128 S C -1.087 173.361 174.600 -0.253 0.000 1.123 128 S CA -0.678 57.395 58.200 -0.211 0.000 0.907 128 S CB 1.506 64.622 63.200 -0.141 0.000 1.081 128 S HN 0.685 nan 8.310 nan 0.000 0.476 129 T N 0.409 114.758 114.554 -0.342 0.000 2.901 129 T HA 0.625 4.973 4.350 -0.004 0.000 0.293 129 T C 1.327 175.833 174.700 -0.325 0.000 1.084 129 T CA -0.183 61.719 62.100 -0.330 0.000 1.008 129 T CB 0.947 69.583 68.868 -0.387 0.000 1.170 129 T HN 0.774 nan 8.240 nan 0.000 0.509 130 G N 0.703 109.339 108.800 -0.273 0.000 2.450 130 G HA2 -0.187 3.771 3.960 -0.004 0.000 0.220 130 G HA3 -0.187 3.771 3.960 -0.004 0.000 0.220 130 G C 1.436 176.192 174.900 -0.240 0.000 1.130 130 G CA 0.800 45.780 45.100 -0.201 0.000 0.760 130 G HN 0.933 nan 8.290 nan 0.000 0.557 131 R N -0.536 119.733 120.500 -0.385 0.000 2.300 131 R HA 0.255 4.593 4.340 -0.004 0.000 0.199 131 R C 0.431 176.434 176.300 -0.495 0.000 0.920 131 R CA -0.026 55.822 56.100 -0.420 0.000 1.046 131 R CB 0.280 30.174 30.300 -0.677 0.000 0.984 131 R HN 0.129 nan 8.270 nan 0.000 0.493 132 R N 1.176 121.269 120.500 -0.679 0.000 2.718 132 R HA 0.300 4.638 4.340 -0.004 0.000 0.266 132 R C -0.861 174.793 176.300 -1.077 0.000 1.776 132 R CA -0.189 55.173 56.100 -1.230 0.000 1.567 132 R CB 1.233 30.642 30.300 -1.486 0.000 1.336 132 R HN 0.065 nan 8.270 nan 0.000 0.619 133 M N 2.809 122.061 119.600 -0.581 0.000 3.237 133 M HA 0.269 4.747 4.480 -0.004 0.000 0.266 133 M C -0.428 175.876 176.300 0.008 0.000 1.456 133 M CA 0.479 55.634 55.300 -0.242 0.000 1.593 133 M CB -0.133 32.417 32.600 -0.083 0.000 1.129 133 M HN 0.270 nan 8.290 nan 0.000 0.547 134 F N 0.359 120.203 119.950 -0.177 0.000 2.368 134 F HA 0.303 4.828 4.527 -0.004 0.000 0.315 134 F C 1.160 176.897 175.800 -0.105 0.000 1.145 134 F CA -0.826 57.085 58.000 -0.149 0.000 1.095 134 F CB 1.185 40.082 39.000 -0.171 0.000 1.286 134 F HN 0.357 nan 8.300 nan 0.000 0.530 135 T N 1.551 116.161 114.554 0.093 0.000 2.779 135 T HA -0.144 4.204 4.350 -0.004 0.000 0.479 135 T C -1.086 173.633 174.700 0.031 0.000 0.792 135 T CA 0.029 62.140 62.100 0.019 0.000 2.536 135 T CB -0.870 68.004 68.868 0.011 0.000 1.697 135 T HN 0.711 nan 8.240 nan 0.000 0.590 136 D N 0.343 120.754 120.400 0.019 0.000 2.677 136 D HA 0.546 5.183 4.640 -0.004 0.000 0.298 136 D C -0.532 175.774 176.300 0.010 0.000 1.250 136 D CA -0.509 53.511 54.000 0.034 0.000 0.888 136 D CB 1.728 42.560 40.800 0.054 0.000 1.397 136 D HN 0.287 nan 8.370 nan 0.000 0.461 137 V N 1.335 121.257 119.914 0.014 0.000 2.555 137 V HA 0.519 4.637 4.120 -0.004 0.000 0.286 137 V C 1.078 177.115 176.094 -0.095 0.000 1.044 137 V CA 0.587 62.853 62.300 -0.057 0.000 1.026 137 V CB 0.975 32.770 31.823 -0.048 0.000 0.981 137 V HN 0.712 nan 8.190 nan 0.000 0.480 138 A N 3.477 126.213 122.820 -0.140 0.000 2.108 138 A HA 0.736 5.054 4.320 -0.004 0.000 0.206 138 A C 0.946 178.496 177.584 -0.057 0.000 1.212 138 A CA 0.765 52.735 52.037 -0.112 0.000 0.843 138 A CB 0.296 19.246 19.000 -0.083 0.000 0.902 138 A HN 1.380 nan 8.150 nan 0.000 0.477 139 G N -1.894 106.779 108.800 -0.212 0.000 2.343 139 G HA2 0.422 4.379 3.960 -0.004 0.000 0.289 139 G HA3 0.422 4.379 3.960 -0.004 0.000 0.289 139 G C -1.701 172.902 174.900 -0.496 0.000 1.295 139 G CA -0.776 44.232 45.100 -0.153 0.000 0.869 139 G HN 0.283 nan 8.290 nan 0.000 0.522 140 F N 1.254 121.285 119.950 0.134 0.000 2.547 140 F HA 0.496 5.021 4.527 -0.003 0.000 0.316 140 F C 0.130 175.858 175.800 -0.120 0.000 1.121 140 F CA -0.660 57.343 58.000 0.004 0.000 0.911 140 F CB 2.274 41.235 39.000 -0.065 0.000 1.179 140 F HN 0.691 nan 8.300 nan 0.000 0.443 141 D N 2.457 122.751 120.400 -0.176 0.000 2.398 141 D HA 0.229 4.866 4.640 -0.004 0.000 0.247 141 D C -2.121 173.859 176.300 -0.533 0.000 1.227 141 D CA -1.981 51.487 54.000 -0.887 0.000 0.980 141 D CB 0.235 40.709 40.800 -0.543 0.000 1.106 141 D HN 0.170 nan 8.370 nan 0.000 0.493 142 P HA -0.103 nan 4.420 nan 0.000 0.217 142 P C 0.339 177.579 177.300 -0.099 0.000 1.148 142 P CA 1.128 64.094 63.100 -0.222 0.000 0.828 142 P CB 0.111 31.723 31.700 -0.146 0.000 0.783 143 D N -2.106 118.241 120.400 -0.089 0.000 2.363 143 D HA 0.081 4.719 4.640 -0.004 0.000 0.220 143 D C 1.603 177.915 176.300 0.020 0.000 0.994 143 D CA 1.210 55.199 54.000 -0.019 0.000 0.890 143 D CB -0.447 40.351 40.800 -0.003 0.000 0.906 143 D HN 0.158 nan 8.370 nan 0.000 0.530 144 G N 0.622 109.441 108.800 0.030 0.000 2.157 144 G HA2 -0.270 3.688 3.960 -0.004 0.000 0.239 144 G HA3 -0.270 3.688 3.960 -0.004 0.000 0.239 144 G C -0.014 175.037 174.900 0.251 0.000 0.982 144 G CA -0.316 44.853 45.100 0.114 0.000 0.650 144 G HN 0.359 nan 8.290 nan 0.000 0.527 145 N N 0.010 118.824 118.700 0.190 0.000 2.530 145 N HA 0.512 5.250 4.740 -0.004 0.000 0.273 145 N C 0.142 175.802 175.510 0.250 0.000 1.173 145 N CA -0.611 52.585 53.050 0.243 0.000 0.967 145 N CB 1.350 39.925 38.487 0.147 0.000 1.109 145 N HN 0.282 nan 8.380 nan 0.000 0.453 146 L N 3.130 124.518 121.223 0.276 0.000 2.455 146 L HA 0.242 4.580 4.340 -0.004 0.000 0.272 146 L C -0.946 175.926 176.870 0.004 0.000 1.174 146 L CA 0.334 55.178 54.840 0.007 0.000 0.869 146 L CB 0.071 42.240 42.059 0.184 0.000 1.130 146 L HN 0.449 nan 8.230 nan 0.000 0.474 147 I N 6.784 127.264 120.570 -0.149 0.000 2.406 147 I HA 0.381 4.548 4.170 -0.004 0.000 0.290 147 I C 0.128 176.225 176.117 -0.033 0.000 0.999 147 I CA -0.445 60.854 61.300 -0.002 0.000 1.124 147 I CB 1.252 39.280 38.000 0.047 0.000 1.289 147 I HN 0.654 nan 8.210 nan 0.000 0.441 148 I N 1.793 122.417 120.570 0.091 0.000 2.750 148 I HA 0.717 4.885 4.170 -0.004 0.000 0.308 148 I C -0.105 176.061 176.117 0.081 0.000 1.016 148 I CA -0.646 60.702 61.300 0.079 0.000 1.098 148 I CB 2.228 40.320 38.000 0.153 0.000 1.279 148 I HN 0.481 nan 8.210 nan 0.000 0.454 149 S N 2.296 118.000 115.700 0.008 0.000 2.478 149 S HA 0.709 5.177 4.470 -0.004 0.000 0.312 149 S C -0.639 173.917 174.600 -0.074 0.000 1.094 149 S CA -0.206 57.962 58.200 -0.053 0.000 1.081 149 S CB 1.086 64.204 63.200 -0.137 0.000 1.007 149 S HN 0.960 nan 8.310 nan 0.000 0.475 150 T N 2.116 116.620 114.554 -0.083 0.000 2.957 150 T HA 0.330 4.678 4.350 -0.004 0.000 0.336 150 T C -0.856 173.720 174.700 -0.206 0.000 1.462 150 T CA -0.567 61.435 62.100 -0.163 0.000 1.073 150 T CB 1.272 70.004 68.868 -0.226 0.000 1.319 150 T HN 0.727 nan 8.240 nan 0.000 0.485 151 D N 2.006 122.266 120.400 -0.234 0.000 2.369 151 D HA 0.184 4.821 4.640 -0.004 0.000 0.211 151 D C 1.794 177.916 176.300 -0.297 0.000 1.077 151 D CA 0.380 54.235 54.000 -0.242 0.000 0.842 151 D CB -0.023 40.674 40.800 -0.172 0.000 0.947 151 D HN 0.553 nan 8.370 nan 0.000 0.509 152 A N 0.935 123.520 122.820 -0.391 0.000 1.971 152 A HA -0.184 4.134 4.320 -0.004 0.000 0.222 152 A C 1.848 179.128 177.584 -0.508 0.000 1.182 152 A CA 1.459 53.202 52.037 -0.490 0.000 0.649 152 A CB -0.439 18.055 19.000 -0.843 0.000 0.818 152 A HN 0.236 nan 8.150 nan 0.000 0.458 153 M N -0.193 119.082 119.600 -0.541 0.000 2.771 153 M HA 0.244 4.722 4.480 -0.004 0.000 0.341 153 M C -0.514 175.585 176.300 -0.336 0.000 1.226 153 M CA 0.217 55.257 55.300 -0.433 0.000 0.955 153 M CB 0.842 33.178 32.600 -0.438 0.000 1.318 153 M HN 0.236 nan 8.290 nan 0.000 0.514 154 Q N -0.083 119.512 119.800 -0.342 0.000 2.416 154 Q HA 0.526 4.863 4.340 -0.004 0.000 0.279 154 Q C -2.048 173.678 176.000 -0.456 0.000 1.101 154 Q CA -1.779 53.810 55.803 -0.356 0.000 0.830 154 Q CB 1.154 29.701 28.738 -0.318 0.000 1.402 154 Q HN -0.055 nan 8.270 nan 0.000 0.445 155 P HA 0.096 nan 4.420 nan 0.000 0.245 155 P C -0.613 175.932 177.300 -1.258 0.000 1.212 155 P CA 0.699 63.266 63.100 -0.888 0.000 0.774 155 P CB 0.269 31.344 31.700 -1.042 0.000 0.999 156 F N -0.622 119.011 119.950 -0.528 0.000 2.608 156 F HA 0.189 4.714 4.527 -0.003 0.000 0.309 156 F C 1.692 177.267 175.800 -0.375 0.000 1.103 156 F CA -0.823 56.871 58.000 -0.510 0.000 0.954 156 F CB 1.332 39.808 39.000 -0.875 0.000 1.267 156 F HN -0.370 nan 8.300 nan 0.000 0.444 157 S N -0.482 115.191 115.700 -0.045 0.000 2.442 157 S HA -0.144 4.324 4.470 -0.004 0.000 0.236 157 S C 1.581 176.218 174.600 0.061 0.000 1.007 157 S CA 1.662 59.867 58.200 0.009 0.000 0.965 157 S CB -0.349 62.864 63.200 0.023 0.000 0.773 157 S HN 0.542 nan 8.310 nan 0.000 0.504 158 S N 1.032 116.693 115.700 -0.064 0.000 2.522 158 S HA 0.294 4.761 4.470 -0.004 0.000 0.227 158 S C 0.818 175.142 174.600 -0.460 0.000 0.986 158 S CA 0.370 58.396 58.200 -0.289 0.000 0.929 158 S CB -0.391 62.416 63.200 -0.654 0.000 0.769 158 S HN 0.559 nan 8.310 nan 0.000 0.529 159 M N 3.077 122.461 119.600 -0.360 0.000 3.586 159 M HA 0.059 4.537 4.480 -0.004 0.000 0.225 159 M C -0.009 176.083 176.300 -0.346 0.000 1.428 159 M CA -0.041 55.048 55.300 -0.352 0.000 1.613 159 M CB -0.351 32.038 32.600 -0.352 0.000 1.063 159 M HN 0.056 nan 8.290 nan 0.000 0.593 160 T N -1.277 113.023 114.554 -0.423 0.000 3.185 160 T HA 0.261 4.609 4.350 -0.004 0.000 0.287 160 T C 0.285 174.793 174.700 -0.320 0.000 1.051 160 T CA -0.780 61.067 62.100 -0.422 0.000 1.051 160 T CB -0.734 67.723 68.868 -0.686 0.000 1.034 160 T HN 0.428 nan 8.240 nan 0.000 0.685 161 C N 3.577 122.728 119.300 -0.248 0.000 2.656 161 C HA 0.412 4.870 4.460 -0.004 0.000 0.391 161 C C 0.989 175.818 174.990 -0.268 0.000 1.300 161 C CA -1.042 57.788 59.018 -0.313 0.000 2.302 161 C CB -0.356 27.160 27.740 -0.372 0.000 2.655 161 C HN 0.767 nan 8.230 nan 0.000 0.656 162 L N 1.971 122.953 121.223 -0.402 0.000 2.312 162 L HA 0.489 4.826 4.340 -0.004 0.000 0.281 162 L C -0.885 175.741 176.870 -0.407 0.000 1.070 162 L CA -0.111 54.578 54.840 -0.251 0.000 0.805 162 L CB 0.340 42.287 42.059 -0.187 0.000 1.174 162 L HN 0.657 nan 8.230 nan 0.000 0.434 163 Y N 1.214 121.529 120.300 0.024 0.000 2.504 163 Y HA 0.437 4.985 4.550 -0.004 0.000 0.344 163 Y C -0.209 175.780 175.900 0.149 0.000 1.023 163 Y CA -0.876 57.291 58.100 0.112 0.000 1.020 163 Y CB 1.969 40.545 38.460 0.193 0.000 1.282 163 Y HN 0.472 nan 8.280 nan 0.000 0.454 164 R N 2.040 122.714 120.500 0.290 0.000 2.308 164 R HA 0.636 4.974 4.340 -0.004 0.000 0.305 164 R C -1.426 174.998 176.300 0.206 0.000 1.053 164 R CA -0.432 55.794 56.100 0.210 0.000 0.957 164 R CB 0.728 31.122 30.300 0.158 0.000 1.022 164 R HN 0.572 nan 8.270 nan 0.000 0.461 165 V N 4.274 124.287 119.914 0.164 0.000 2.546 165 V HA 0.236 4.354 4.120 -0.004 0.000 0.284 165 V C 0.025 176.124 176.094 0.009 0.000 1.050 165 V CA -0.160 62.155 62.300 0.025 0.000 0.981 165 V CB 1.396 33.289 31.823 0.118 0.000 0.990 165 V HN 0.843 nan 8.190 nan 0.000 0.474 166 E N 3.149 123.271 120.200 -0.130 0.000 2.266 166 E HA 0.392 4.740 4.350 -0.004 0.000 0.268 166 E C -0.542 176.017 176.600 -0.069 0.000 0.879 166 E CA -0.874 55.499 56.400 -0.046 0.000 0.762 166 E CB 1.342 31.027 29.700 -0.025 0.000 1.199 166 E HN 0.694 nan 8.360 nan 0.000 0.422 167 N N 3.206 121.906 118.700 -0.001 0.000 2.705 167 N HA -0.186 4.552 4.740 -0.004 0.000 0.255 167 N C -1.051 174.454 175.510 -0.009 0.000 1.008 167 N CA 1.134 54.184 53.050 -0.001 0.000 0.742 167 N CB -0.967 37.507 38.487 -0.023 0.000 0.906 167 N HN 0.731 nan 8.380 nan 0.000 0.541 168 D N -1.413 119.013 120.400 0.043 0.000 2.708 168 D HA -0.178 4.459 4.640 -0.004 0.000 0.236 168 D C 1.215 177.415 176.300 -0.166 0.000 1.146 168 D CA 2.191 56.178 54.000 -0.022 0.000 0.662 168 D CB -1.453 39.352 40.800 0.009 0.000 1.059 168 D HN 0.905 nan 8.370 nan 0.000 0.428 169 G N -1.197 107.448 108.800 -0.259 0.000 2.176 169 G HA2 -0.332 3.625 3.960 -0.004 0.000 0.232 169 G HA3 -0.332 3.625 3.960 -0.004 0.000 0.232 169 G C 1.052 175.847 174.900 -0.175 0.000 0.986 169 G CA 0.166 45.047 45.100 -0.365 0.000 0.643 169 G HN 0.420 nan 8.290 nan 0.000 0.522 170 I N 0.488 121.014 120.570 -0.074 0.000 2.394 170 I HA 0.046 4.214 4.170 -0.004 0.000 0.251 170 I C 1.124 177.402 176.117 0.269 0.000 1.136 170 I CA 1.640 63.018 61.300 0.130 0.000 1.425 170 I CB -0.704 37.322 38.000 0.043 0.000 1.079 170 I HN 0.440 nan 8.210 nan 0.000 0.425 171 N N -0.589 118.105 118.700 -0.010 0.000 2.331 171 N HA 0.420 5.158 4.740 -0.004 0.000 0.280 171 N C -1.647 173.725 175.510 -0.229 0.000 1.155 171 N CA -0.449 52.679 53.050 0.130 0.000 0.822 171 N CB 1.542 40.111 38.487 0.138 0.000 1.619 171 N HN -0.202 nan 8.380 nan 0.000 0.476 172 F N 1.279 121.385 119.950 0.260 0.000 2.518 172 F HA 0.489 5.014 4.527 -0.003 0.000 0.323 172 F C -0.427 175.547 175.800 0.289 0.000 1.129 172 F CA -0.843 57.286 58.000 0.216 0.000 0.920 172 F CB 1.867 40.906 39.000 0.065 0.000 1.160 172 F HN 0.050 nan 8.300 nan 0.000 0.440 173 V N 5.276 125.437 119.914 0.412 0.000 2.347 173 V HA 0.380 4.498 4.120 -0.004 0.000 0.280 173 V C -2.116 174.152 176.094 0.289 0.000 1.021 173 V CA -1.982 60.505 62.300 0.311 0.000 0.847 173 V CB 1.322 33.261 31.823 0.192 0.000 0.990 173 V HN 0.467 nan 8.190 nan 0.000 0.444 174 P HA 0.204 nan 4.420 nan 0.000 0.271 174 P C 0.482 177.717 177.300 -0.108 0.000 1.216 174 P CA -0.061 62.937 63.100 -0.170 0.000 0.771 174 P CB 1.473 33.071 31.700 -0.170 0.000 0.864 175 L N 1.904 123.016 121.223 -0.184 0.000 2.446 175 L HA 0.047 4.385 4.340 -0.004 0.000 0.219 175 L C 0.465 177.276 176.870 -0.098 0.000 1.116 175 L CA 0.333 55.126 54.840 -0.078 0.000 0.844 175 L CB -0.997 41.030 42.059 -0.054 0.000 0.970 175 L HN 0.480 nan 8.230 nan 0.000 0.457 176 N N 0.210 118.801 118.700 -0.182 0.000 2.740 176 N HA -0.207 4.531 4.740 -0.004 0.000 0.248 176 N C 0.309 175.734 175.510 -0.142 0.000 1.062 176 N CA 0.024 52.990 53.050 -0.139 0.000 0.704 176 N CB -1.184 37.284 38.487 -0.032 0.000 0.968 176 N HN 0.283 nan 8.380 nan 0.000 0.547 177 L N -0.400 120.657 121.223 -0.277 0.000 2.769 177 L HA 0.337 4.675 4.340 -0.004 0.000 0.240 177 L C 1.396 177.894 176.870 -0.620 0.000 1.163 177 L CA 0.315 54.936 54.840 -0.364 0.000 0.962 177 L CB 0.080 41.917 42.059 -0.370 0.000 1.258 177 L HN 0.468 nan 8.230 nan 0.000 0.513 178 G N 1.136 109.401 108.800 -0.892 0.000 2.760 178 G HA2 -0.180 3.777 3.960 -0.004 0.000 0.246 178 G HA3 -0.180 3.777 3.960 -0.004 0.000 0.246 178 G C -2.761 171.599 174.900 -0.900 0.000 1.359 178 G CA -0.948 43.133 45.100 -1.698 0.000 0.861 178 G HN 0.024 nan 8.290 nan 0.000 0.541 179 P HA 0.496 nan 4.420 nan 0.000 0.268 179 P C -0.079 177.025 177.300 -0.327 0.000 1.204 179 P CA 1.060 63.906 63.100 -0.425 0.000 0.768 179 P CB 1.267 32.795 31.700 -0.287 0.000 0.842 180 A N 2.326 124.985 122.820 -0.269 0.000 2.612 180 A HA 0.587 4.905 4.320 -0.004 0.000 0.293 180 A C 0.561 178.054 177.584 -0.151 0.000 1.075 180 A CA -0.338 51.590 52.037 -0.181 0.000 0.680 180 A CB 0.822 19.702 19.000 -0.199 0.000 1.279 180 A HN 0.382 nan 8.150 nan 0.000 0.411 181 T N 0.003 114.514 114.554 -0.072 0.000 3.071 181 T HA 0.250 4.598 4.350 -0.004 0.000 0.239 181 T C 0.141 174.660 174.700 -0.301 0.000 0.997 181 T CA 1.320 63.346 62.100 -0.124 0.000 1.134 181 T CB -0.210 68.694 68.868 0.059 0.000 0.928 181 T HN 0.730 nan 8.240 nan 0.000 0.453 182 H N -0.490 118.593 119.070 0.022 0.000 2.690 182 H HA 0.734 5.288 4.556 -0.003 0.000 0.368 182 H C -1.196 174.130 175.328 -0.003 0.000 1.150 182 H CA -0.767 55.297 56.048 0.028 0.000 1.174 182 H CB 2.222 32.019 29.762 0.058 0.000 1.684 182 H HN 0.119 nan 8.280 nan 0.000 0.538 183 I N 3.325 123.972 120.570 0.129 0.000 2.534 183 I HA 0.395 4.562 4.170 -0.004 0.000 0.288 183 I C -1.702 174.452 176.117 0.062 0.000 1.077 183 I CA -0.503 60.806 61.300 0.016 0.000 1.051 183 I CB 0.883 38.856 38.000 -0.046 0.000 1.234 183 I HN 0.425 nan 8.210 nan 0.000 0.425 184 L N 6.488 127.689 121.223 -0.036 0.000 2.301 184 L HA 0.631 4.969 4.340 -0.004 0.000 0.264 184 L C -1.436 175.361 176.870 -0.121 0.000 1.016 184 L CA -0.798 54.101 54.840 0.099 0.000 0.821 184 L CB 2.017 44.153 42.059 0.129 0.000 1.346 184 L HN 0.422 nan 8.230 nan 0.000 0.429 185 F N 0.656 120.675 119.950 0.115 0.000 2.529 185 F HA 0.745 5.270 4.527 -0.004 0.000 0.320 185 F C 0.028 175.870 175.800 0.070 0.000 1.118 185 F CA -0.656 57.403 58.000 0.099 0.000 0.915 185 F CB 2.106 41.166 39.000 0.101 0.000 1.161 185 F HN 0.395 nan 8.300 nan 0.000 0.445 186 A N 2.073 125.006 122.820 0.189 0.000 2.381 186 A HA 0.596 4.914 4.320 -0.004 0.000 0.299 186 A C -0.541 177.104 177.584 0.102 0.000 1.049 186 A CA -0.791 51.306 52.037 0.099 0.000 0.715 186 A CB 0.674 19.696 19.000 0.036 0.000 1.222 186 A HN 0.856 nan 8.150 nan 0.000 0.428 187 D N 1.788 122.245 120.400 0.095 0.000 2.737 187 D HA -0.253 4.385 4.640 -0.004 0.000 0.233 187 D C 1.223 177.589 176.300 0.110 0.000 1.155 187 D CA 2.593 56.659 54.000 0.111 0.000 0.667 187 D CB -1.238 39.640 40.800 0.130 0.000 1.060 187 D HN 2.051 nan 8.370 nan 0.000 0.427 188 G N -0.084 108.800 108.800 0.141 0.000 2.284 188 G HA2 -0.385 3.573 3.960 -0.004 0.000 0.247 188 G HA3 -0.385 3.573 3.960 -0.004 0.000 0.247 188 G C 0.393 175.392 174.900 0.166 0.000 1.012 188 G CA 0.572 45.765 45.100 0.155 0.000 0.618 188 G HN 0.702 nan 8.290 nan 0.000 0.521 189 R N 0.625 121.190 120.500 0.108 0.000 2.457 189 R HA 0.720 5.058 4.340 -0.004 0.000 0.284 189 R C 0.077 176.380 176.300 0.005 0.000 1.024 189 R CA -0.881 55.242 56.100 0.039 0.000 1.025 189 R CB 1.079 31.365 30.300 -0.023 0.000 1.063 189 R HN 0.296 nan 8.270 nan 0.000 0.493 190 R N 1.524 121.988 120.500 -0.060 0.000 2.390 190 R HA 0.243 4.580 4.340 -0.004 0.000 0.291 190 R C -0.593 175.702 176.300 -0.009 0.000 1.070 190 R CA -0.591 55.391 56.100 -0.196 0.000 1.014 190 R CB 1.208 31.470 30.300 -0.063 0.000 1.007 190 R HN 0.337 nan 8.270 nan 0.000 0.466 191 V N 5.519 125.378 119.914 -0.091 0.000 2.417 191 V HA 0.398 4.516 4.120 -0.004 0.000 0.291 191 V C 0.115 176.233 176.094 0.041 0.000 1.024 191 V CA -0.614 61.715 62.300 0.049 0.000 0.861 191 V CB 1.545 33.395 31.823 0.044 0.000 0.985 191 V HN 0.621 nan 8.190 nan 0.000 0.436 192 I N 3.749 124.394 120.570 0.125 0.000 2.406 192 I HA 0.594 4.762 4.170 -0.004 0.000 0.290 192 I C 0.712 176.892 176.117 0.104 0.000 0.999 192 I CA -0.334 61.001 61.300 0.059 0.000 1.124 192 I CB 1.930 39.897 38.000 -0.055 0.000 1.289 192 I HN 0.721 nan 8.210 nan 0.000 0.441 193 G N 6.027 114.882 108.800 0.092 0.000 2.335 193 G HA2 0.559 4.517 3.960 -0.004 0.000 0.314 193 G HA3 0.559 4.517 3.960 -0.004 0.000 0.314 193 G C -0.480 174.475 174.900 0.091 0.000 1.129 193 G CA -0.563 44.604 45.100 0.111 0.000 0.912 193 G HN 0.537 nan 8.290 nan 0.000 0.443 194 R N 1.864 122.412 120.500 0.080 0.000 2.338 194 R HA 0.248 4.586 4.340 -0.004 0.000 0.317 194 R C 0.210 176.543 176.300 0.055 0.000 0.968 194 R CA -0.552 55.584 56.100 0.059 0.000 0.849 194 R CB 0.960 31.303 30.300 0.072 0.000 1.128 194 R HN 0.832 nan 8.270 nan 0.000 0.448 195 N N -0.162 118.573 118.700 0.057 0.000 2.714 195 N HA -0.204 4.534 4.740 -0.004 0.000 0.250 195 N C 0.028 175.335 175.510 -0.339 0.000 1.117 195 N CA 1.110 54.091 53.050 -0.114 0.000 0.719 195 N CB -0.886 37.623 38.487 0.036 0.000 1.081 195 N HN 0.723 nan 8.380 nan 0.000 0.557 196 T N -2.277 112.219 114.554 -0.097 0.000 3.380 196 T HA 0.200 4.548 4.350 -0.004 0.000 0.250 196 T C 0.449 175.258 174.700 0.181 0.000 1.082 196 T CA -0.406 61.693 62.100 -0.003 0.000 0.968 196 T CB -0.770 68.170 68.868 0.119 0.000 1.027 196 T HN 0.370 nan 8.240 nan 0.000 0.575 197 F N 0.512 120.729 119.950 0.446 0.000 2.375 197 F HA 0.683 5.208 4.527 -0.004 0.000 0.313 197 F C 0.387 176.475 175.800 0.479 0.000 1.176 197 F CA -1.854 56.407 58.000 0.436 0.000 1.142 197 F CB 0.407 39.627 39.000 0.366 0.000 1.275 197 F HN -0.179 nan 8.300 nan 0.000 0.544 198 E N 1.130 121.725 120.200 0.657 0.000 2.404 198 E HA 0.208 4.556 4.350 -0.004 0.000 0.261 198 E C -0.458 176.472 176.600 0.550 0.000 1.074 198 E CA -0.016 56.709 56.400 0.542 0.000 0.917 198 E CB 1.100 31.059 29.700 0.431 0.000 0.965 198 E HN 0.660 nan 8.360 nan 0.000 0.433 199 L N 3.940 125.385 121.223 0.370 0.000 2.784 199 L HA 0.164 4.501 4.340 -0.004 0.000 0.241 199 L C -1.481 175.443 176.870 0.089 0.000 1.352 199 L CA -1.269 53.676 54.840 0.175 0.000 0.911 199 L CB 1.018 42.974 42.059 -0.171 0.000 1.227 199 L HN 0.255 nan 8.230 nan 0.000 0.501 200 P HA -0.196 nan 4.420 nan 0.000 0.222 200 P C 1.046 178.395 177.300 0.083 0.000 1.147 200 P CA 1.361 64.529 63.100 0.114 0.000 0.790 200 P CB -0.076 31.715 31.700 0.152 0.000 0.780 201 H N -4.451 114.696 119.070 0.129 0.000 2.547 201 H HA 0.048 4.602 4.556 -0.004 0.000 0.266 201 H C -0.173 175.287 175.328 0.219 0.000 0.988 201 H CA -0.023 56.108 56.048 0.139 0.000 1.147 201 H CB -0.425 29.442 29.762 0.175 0.000 1.365 201 H HN 0.178 nan 8.280 nan 0.000 0.589 202 W N 2.511 123.568 121.300 -0.405 0.000 2.258 202 W HA 0.379 5.037 4.660 -0.004 0.000 0.287 202 W C -1.167 175.283 176.519 -0.115 0.000 1.024 202 W CA -1.734 55.463 57.345 -0.246 0.000 1.377 202 W CB 0.528 29.765 29.460 -0.372 0.000 1.351 202 W HN -0.172 nan 8.180 nan 0.000 0.334 203 K N 0.912 121.455 120.400 0.238 0.000 2.382 203 K HA 0.476 4.794 4.320 -0.004 0.000 0.275 203 K C 1.150 177.909 176.600 0.265 0.000 1.009 203 K CA 1.504 57.881 56.287 0.150 0.000 0.970 203 K CB 0.620 33.123 32.500 0.005 0.000 0.934 203 K HN 0.561 nan 8.250 nan 0.000 0.479 204 G N 1.628 110.551 108.800 0.205 0.000 2.155 204 G HA2 -0.327 3.630 3.960 -0.004 0.000 0.257 204 G HA3 -0.327 3.630 3.960 -0.004 0.000 0.257 204 G C -0.315 174.598 174.900 0.023 0.000 0.983 204 G CA 0.273 45.464 45.100 0.151 0.000 0.676 204 G HN 0.602 nan 8.290 nan 0.000 0.528 205 Y N 1.096 121.187 120.300 -0.350 0.000 2.717 205 Y HA 0.357 4.905 4.550 -0.004 0.000 0.330 205 Y C 1.389 177.032 175.900 -0.428 0.000 1.217 205 Y CA 0.394 57.990 58.100 -0.839 0.000 1.506 205 Y CB 0.383 38.101 38.460 -1.237 0.000 1.268 205 Y HN 0.213 nan 8.280 nan 0.000 0.561 206 R N 3.747 123.645 120.500 -1.003 0.000 2.590 206 R HA 0.233 4.571 4.340 -0.004 0.000 0.410 206 R C 0.636 176.395 176.300 -0.901 0.000 1.010 206 R CA 0.113 55.789 56.100 -0.707 0.000 1.155 206 R CB 0.560 30.704 30.300 -0.261 0.000 1.455 206 R HN 0.852 nan 8.270 nan 0.000 0.567 207 G N -0.635 107.085 108.800 -1.800 0.000 2.684 207 G HA2 0.187 4.145 3.960 -0.004 0.000 0.255 207 G HA3 0.187 4.145 3.960 -0.004 0.000 0.255 207 G C 1.028 175.585 174.900 -0.572 0.000 1.219 207 G CA -0.009 44.480 45.100 -1.018 0.000 0.901 207 G HN 0.192 nan 8.290 nan 0.000 0.548 208 G N -1.341 107.304 108.800 -0.259 0.000 2.470 208 G HA2 -0.083 3.874 3.960 -0.004 0.000 0.220 208 G HA3 -0.083 3.874 3.960 -0.004 0.000 0.220 208 G C 1.316 176.187 174.900 -0.049 0.000 1.121 208 G CA 1.383 46.382 45.100 -0.168 0.000 0.766 208 G HN 0.603 nan 8.290 nan 0.000 0.553 209 T N 1.040 115.689 114.554 0.160 0.000 3.219 209 T HA 0.131 4.479 4.350 -0.004 0.000 0.249 209 T C 1.082 175.948 174.700 0.276 0.000 1.099 209 T CA -0.511 61.718 62.100 0.216 0.000 0.988 209 T CB -0.092 69.041 68.868 0.442 0.000 0.999 209 T HN 0.567 nan 8.240 nan 0.000 0.550 210 R N 1.332 121.950 120.500 0.197 0.000 2.698 210 R HA 0.356 4.694 4.340 -0.004 0.000 0.266 210 R C 0.566 176.980 176.300 0.190 0.000 1.026 210 R CA -0.418 55.824 56.100 0.237 0.000 1.102 210 R CB 0.029 30.294 30.300 -0.057 0.000 0.978 210 R HN 0.109 nan 8.270 nan 0.000 0.436 211 G N 2.267 111.255 108.800 0.313 0.000 2.340 211 G HA2 0.114 4.072 3.960 -0.004 0.000 0.245 211 G HA3 0.114 4.072 3.960 -0.004 0.000 0.245 211 G C -0.679 174.154 174.900 -0.113 0.000 1.294 211 G CA -0.468 44.613 45.100 -0.031 0.000 0.896 211 G HN 0.586 nan 8.290 nan 0.000 0.522 212 K N 1.268 121.638 120.400 -0.051 0.000 2.443 212 K HA 0.576 4.894 4.320 -0.004 0.000 0.251 212 K C -0.763 175.848 176.600 0.018 0.000 0.972 212 K CA -0.801 55.452 56.287 -0.056 0.000 0.833 212 K CB 2.666 35.181 32.500 0.025 0.000 1.317 212 K HN 0.365 nan 8.250 nan 0.000 0.441 213 I N 0.980 121.524 120.570 -0.044 0.000 2.509 213 I HA 0.431 4.599 4.170 -0.004 0.000 0.293 213 I C -1.232 174.940 176.117 0.091 0.000 1.020 213 I CA -0.786 60.544 61.300 0.049 0.000 1.088 213 I CB 1.263 39.224 38.000 -0.066 0.000 1.267 213 I HN 0.433 nan 8.210 nan 0.000 0.430 214 W N 6.075 127.382 121.300 0.012 0.000 2.781 214 W HA 0.746 5.404 4.660 -0.003 0.000 0.345 214 W C -0.678 175.933 176.519 0.155 0.000 1.085 214 W CA -0.553 56.846 57.345 0.090 0.000 1.198 214 W CB 1.548 31.071 29.460 0.106 0.000 1.423 214 W HN 0.185 nan 8.180 nan 0.000 0.532 215 I N 1.134 121.958 120.570 0.424 0.000 2.686 215 I HA 0.256 4.424 4.170 -0.004 0.000 0.295 215 I C -0.486 175.709 176.117 0.130 0.000 1.114 215 I CA -0.934 60.523 61.300 0.262 0.000 1.038 215 I CB 1.822 39.891 38.000 0.115 0.000 1.238 215 I HN 0.401 nan 8.210 nan 0.000 0.420 216 E N 4.623 124.709 120.200 -0.190 0.000 2.338 216 E HA 0.190 4.538 4.350 -0.004 0.000 0.272 216 E C 0.243 176.674 176.600 -0.281 0.000 1.029 216 E CA -0.132 55.841 56.400 -0.713 0.000 0.872 216 E CB 1.184 30.392 29.700 -0.819 0.000 1.015 216 E HN 0.534 nan 8.360 nan 0.000 0.417 217 V N 1.074 120.849 119.914 -0.231 0.000 3.151 217 V HA 0.270 4.388 4.120 -0.004 0.000 0.241 217 V C 0.245 176.286 176.094 -0.090 0.000 1.173 217 V CA 0.149 62.390 62.300 -0.099 0.000 1.154 217 V CB 0.136 31.935 31.823 -0.040 0.000 0.898 217 V HN 0.566 nan 8.190 nan 0.000 0.473 218 N N 1.300 119.929 118.700 -0.119 0.000 2.295 218 N HA 0.328 5.065 4.740 -0.004 0.000 0.293 218 N C -0.227 175.225 175.510 -0.096 0.000 1.040 218 N CA 0.344 53.349 53.050 -0.075 0.000 0.840 218 N CB 2.088 40.546 38.487 -0.049 0.000 1.468 218 N HN 0.438 nan 8.380 nan 0.000 0.478 219 S N 2.575 118.243 115.700 -0.054 0.000 3.631 219 S HA 0.208 4.676 4.470 -0.004 0.000 0.431 219 S C 1.334 175.935 174.600 0.002 0.000 1.132 219 S CA 0.646 58.830 58.200 -0.027 0.000 1.188 219 S CB -1.173 62.036 63.200 0.015 0.000 0.805 219 S HN 1.473 nan 8.310 nan 0.000 0.526 220 G N 2.074 110.879 108.800 0.007 0.000 2.234 220 G HA2 0.029 3.987 3.960 -0.004 0.000 0.235 220 G HA3 0.029 3.987 3.960 -0.004 0.000 0.235 220 G C 0.187 175.234 174.900 0.245 0.000 0.997 220 G CA -0.202 45.004 45.100 0.176 0.000 0.623 220 G HN 1.910 nan 8.290 nan 0.000 0.514 221 A N 0.021 122.845 122.820 0.007 0.000 2.292 221 A HA 0.861 5.179 4.320 -0.004 0.000 0.319 221 A C -0.693 176.896 177.584 0.008 0.000 1.206 221 A CA -0.376 51.692 52.037 0.052 0.000 0.835 221 A CB 0.753 19.712 19.000 -0.069 0.000 1.164 221 A HN 0.624 nan 8.150 nan 0.000 0.505 222 F N 0.782 121.009 119.950 0.461 0.000 2.561 222 F HA 0.660 5.185 4.527 -0.003 0.000 0.321 222 F C 0.319 176.446 175.800 0.545 0.000 1.065 222 F CA -0.564 57.725 58.000 0.481 0.000 0.934 222 F CB 2.432 41.721 39.000 0.481 0.000 1.215 222 F HN 0.579 nan 8.300 nan 0.000 0.471 223 K N 1.914 122.649 120.400 0.557 0.000 2.422 223 K HA 0.381 4.698 4.320 -0.004 0.000 0.251 223 K C -1.256 175.285 176.600 -0.099 0.000 0.933 223 K CA -0.865 55.550 56.287 0.214 0.000 0.798 223 K CB 1.990 34.535 32.500 0.075 0.000 1.238 223 K HN 0.669 nan 8.250 nan 0.000 0.428 224 K N 5.493 125.432 120.400 -0.769 0.000 2.316 224 K HA 0.160 4.478 4.320 -0.004 0.000 0.289 224 K C 0.838 177.136 176.600 -0.504 0.000 1.070 224 K CA -0.180 55.395 56.287 -1.185 0.000 0.928 224 K CB 0.327 31.880 32.500 -1.577 0.000 1.039 224 K HN 0.684 nan 8.250 nan 0.000 0.480 225 I N 0.902 121.278 120.570 -0.323 0.000 3.790 225 I HA 0.146 4.314 4.170 -0.004 0.000 0.305 225 I C -0.316 175.697 176.117 -0.175 0.000 1.253 225 I CA -0.414 60.778 61.300 -0.180 0.000 1.355 225 I CB 0.867 38.821 38.000 -0.078 0.000 1.137 225 I HN 0.050 nan 8.210 nan 0.000 0.435 226 V N 3.170 122.952 119.914 -0.220 0.000 2.357 226 V HA 0.434 4.552 4.120 -0.004 0.000 0.281 226 V C -1.403 174.536 176.094 -0.259 0.000 1.015 226 V CA -0.278 61.879 62.300 -0.239 0.000 0.827 226 V CB 1.231 32.858 31.823 -0.326 0.000 1.018 226 V HN 0.219 nan 8.190 nan 0.000 0.432 227 D N 5.721 125.988 120.400 -0.221 0.000 2.346 227 D HA 0.473 5.111 4.640 -0.004 0.000 0.255 227 D C -0.517 175.686 176.300 -0.162 0.000 1.276 227 D CA -0.214 53.670 54.000 -0.193 0.000 0.941 227 D CB 1.155 41.841 40.800 -0.190 0.000 1.199 227 D HN 0.364 nan 8.370 nan 0.000 0.537 228 M N 0.435 119.931 119.600 -0.173 0.000 2.613 228 M HA 0.208 4.686 4.480 -0.004 0.000 0.301 228 M C 1.926 178.148 176.300 -0.130 0.000 1.205 228 M CA -0.701 54.512 55.300 -0.145 0.000 0.950 228 M CB 1.761 34.262 32.600 -0.165 0.000 1.585 228 M HN 0.224 nan 8.290 nan 0.000 0.490 229 S N -1.061 114.576 115.700 -0.105 0.000 2.399 229 S HA -0.061 4.407 4.470 -0.004 0.000 0.231 229 S C 0.882 175.404 174.600 -0.130 0.000 1.022 229 S CA 1.157 59.301 58.200 -0.094 0.000 0.983 229 S CB -0.939 62.227 63.200 -0.057 0.000 0.803 229 S HN 0.861 nan 8.310 nan 0.000 0.480 230 T N -1.019 113.464 114.554 -0.120 0.000 2.923 230 T HA 0.462 4.810 4.350 -0.004 0.000 0.281 230 T C -0.371 174.285 174.700 -0.074 0.000 0.995 230 T CA -0.770 61.268 62.100 -0.103 0.000 0.985 230 T CB 0.711 69.549 68.868 -0.049 0.000 1.114 230 T HN 0.363 nan 8.240 nan 0.000 0.548 231 H N -0.313 118.691 119.070 -0.111 0.000 2.767 231 H HA 0.496 5.050 4.556 -0.004 0.000 0.316 231 H C -0.820 174.481 175.328 -0.045 0.000 1.059 231 H CA -0.243 55.771 56.048 -0.057 0.000 1.461 231 H CB 0.137 29.930 29.762 0.052 0.000 1.475 231 H HN 0.476 nan 8.280 nan 0.000 0.531 232 V N 5.787 125.353 119.914 -0.581 0.000 2.427 232 V HA 0.378 4.496 4.120 -0.004 0.000 0.286 232 V C -0.174 175.516 176.094 -0.674 0.000 1.034 232 V CA -0.136 61.850 62.300 -0.524 0.000 0.893 232 V CB 1.209 32.677 31.823 -0.593 0.000 0.982 232 V HN 1.014 nan 8.190 nan 0.000 0.452 233 S N 2.104 117.612 115.700 -0.319 0.000 2.632 233 S HA 0.628 5.096 4.470 -0.004 0.000 0.289 233 S C -0.126 174.481 174.600 0.010 0.000 1.115 233 S CA -0.378 57.734 58.200 -0.146 0.000 0.889 233 S CB 1.793 65.014 63.200 0.036 0.000 1.116 233 S HN 0.974 nan 8.310 nan 0.000 0.486 234 S N 1.868 117.559 115.700 -0.015 0.000 3.484 234 S HA -0.077 4.390 4.470 -0.004 0.000 0.384 234 S C -2.240 172.313 174.600 -0.079 0.000 0.932 234 S CA 0.654 58.797 58.200 -0.095 0.000 1.293 234 S CB -1.785 61.465 63.200 0.084 0.000 0.919 234 S HN 0.797 nan 8.310 nan 0.000 0.540 235 P HA 0.482 nan 4.420 nan 0.000 0.275 235 P C -0.068 177.257 177.300 0.041 0.000 1.227 235 P CA -0.291 62.822 63.100 0.023 0.000 0.781 235 P CB 1.332 33.020 31.700 -0.020 0.000 0.906 236 V N 0.634 120.651 119.914 0.172 0.000 3.114 236 V HA 0.628 4.746 4.120 -0.004 0.000 0.308 236 V C -0.624 175.616 176.094 0.244 0.000 1.168 236 V CA -1.139 61.271 62.300 0.183 0.000 1.015 236 V CB 2.221 34.150 31.823 0.176 0.000 1.050 236 V HN 0.329 nan 8.190 nan 0.000 0.433 237 I N 1.810 122.503 120.570 0.205 0.000 2.406 237 I HA 0.688 4.856 4.170 -0.004 0.000 0.290 237 I C -1.095 175.123 176.117 0.168 0.000 0.999 237 I CA -0.916 60.507 61.300 0.206 0.000 1.124 237 I CB 2.149 40.232 38.000 0.138 0.000 1.289 237 I HN 0.482 nan 8.210 nan 0.000 0.441 238 V N 5.687 125.732 119.914 0.219 0.000 2.482 238 V HA 0.682 4.800 4.120 -0.004 0.000 0.295 238 V C 0.674 176.867 176.094 0.165 0.000 1.026 238 V CA 0.061 62.433 62.300 0.120 0.000 0.856 238 V CB 0.881 32.683 31.823 -0.035 0.000 1.001 238 V HN 1.108 nan 8.190 nan 0.000 0.424 239 G N 4.439 113.296 108.800 0.095 0.000 2.574 239 G HA2 -0.300 3.658 3.960 -0.004 0.000 0.301 239 G HA3 -0.300 3.658 3.960 -0.004 0.000 0.301 239 G C 0.105 175.035 174.900 0.049 0.000 1.166 239 G CA 0.866 46.055 45.100 0.148 0.000 0.971 239 G HN 0.930 nan 8.290 nan 0.000 0.542 240 H N 1.458 120.598 119.070 0.117 0.000 2.587 240 H HA 0.547 5.101 4.556 -0.004 0.000 0.245 240 H C 0.592 175.981 175.328 0.101 0.000 1.238 240 H CA -0.200 55.909 56.048 0.102 0.000 0.963 240 H CB 0.390 30.197 29.762 0.075 0.000 1.904 240 H HN 0.407 nan 8.280 nan 0.000 0.584 241 R N 0.671 121.284 120.500 0.189 0.000 2.686 241 R HA 0.482 4.820 4.340 -0.004 0.000 0.283 241 R C -0.883 175.492 176.300 0.124 0.000 0.978 241 R CA -0.888 55.274 56.100 0.103 0.000 0.897 241 R CB 2.687 32.998 30.300 0.017 0.000 1.192 241 R HN 0.147 nan 8.270 nan 0.000 0.457 242 I N 3.282 123.884 120.570 0.052 0.000 2.304 242 I HA 0.261 4.428 4.170 -0.004 0.000 0.291 242 I C -0.686 175.474 176.117 0.073 0.000 1.018 242 I CA -0.546 60.853 61.300 0.165 0.000 1.260 242 I CB 0.497 38.623 38.000 0.210 0.000 1.390 242 I HN 0.335 nan 8.210 nan 0.000 0.475 243 Y N 6.903 127.280 120.300 0.129 0.000 2.387 243 Y HA 0.646 5.194 4.550 -0.004 0.000 0.330 243 Y C 0.009 175.967 175.900 0.096 0.000 1.133 243 Y CA -0.552 57.543 58.100 -0.008 0.000 1.152 243 Y CB 1.291 39.748 38.460 -0.005 0.000 1.215 243 Y HN 0.472 nan 8.280 nan 0.000 0.466 244 F N -0.749 119.298 119.950 0.163 0.000 2.877 244 F HA 0.764 5.289 4.527 -0.003 0.000 0.319 244 F C -2.029 173.829 175.800 0.097 0.000 1.174 244 F CA -1.869 56.179 58.000 0.080 0.000 0.903 244 F CB 0.919 39.922 39.000 0.005 0.000 1.357 244 F HN 0.167 nan 8.300 nan 0.000 0.472 245 I N 0.908 121.707 120.570 0.381 0.000 2.474 245 I HA 0.690 4.858 4.170 -0.004 0.000 0.294 245 I C -0.486 175.814 176.117 0.304 0.000 1.005 245 I CA -0.564 60.904 61.300 0.279 0.000 1.113 245 I CB 2.149 40.261 38.000 0.186 0.000 1.289 245 I HN 0.854 nan 8.210 nan 0.000 0.436 246 T N 2.157 116.875 114.554 0.274 0.000 2.786 246 T HA 0.242 4.590 4.350 -0.004 0.000 0.316 246 T C -1.594 173.190 174.700 0.140 0.000 1.503 246 T CA -0.605 61.578 62.100 0.139 0.000 1.019 246 T CB 1.384 70.253 68.868 0.002 0.000 1.415 246 T HN 0.745 nan 8.240 nan 0.000 0.496 247 D N 2.142 122.606 120.400 0.105 0.000 2.772 247 D HA 0.164 4.802 4.640 -0.004 0.000 0.272 247 D C 1.364 177.711 176.300 0.079 0.000 1.314 247 D CA -0.401 53.664 54.000 0.109 0.000 0.835 247 D CB -0.480 40.415 40.800 0.158 0.000 1.080 247 D HN 0.500 nan 8.370 nan 0.000 0.482 248 I N 0.002 120.566 120.570 -0.010 0.000 2.530 248 I HA -0.212 3.956 4.170 -0.004 0.000 0.257 248 I C 0.226 176.365 176.117 0.035 0.000 1.179 248 I CA 1.260 62.541 61.300 -0.033 0.000 1.440 248 I CB 0.351 38.262 38.000 -0.148 0.000 1.087 248 I HN -0.127 nan 8.210 nan 0.000 0.440 249 D N 0.296 120.759 120.400 0.104 0.000 2.368 249 D HA 0.228 4.865 4.640 -0.004 0.000 0.218 249 D C 1.342 177.715 176.300 0.121 0.000 1.112 249 D CA 0.897 54.967 54.000 0.116 0.000 0.834 249 D CB 0.833 41.726 40.800 0.155 0.000 0.953 249 D HN 0.519 nan 8.370 nan 0.000 0.505 250 G N 0.357 109.240 108.800 0.139 0.000 2.218 250 G HA2 -0.213 3.744 3.960 -0.004 0.000 0.216 250 G HA3 -0.213 3.744 3.960 -0.004 0.000 0.216 250 G C 0.079 175.137 174.900 0.263 0.000 0.994 250 G CA -0.310 44.897 45.100 0.178 0.000 0.637 250 G HN 0.308 nan 8.290 nan 0.000 0.505 251 F N 0.625 120.562 119.950 -0.021 0.000 2.654 251 F HA 0.581 5.106 4.527 -0.003 0.000 0.308 251 F C 0.501 176.058 175.800 -0.405 0.000 1.108 251 F CA -0.085 57.755 58.000 -0.268 0.000 0.957 251 F CB 1.328 40.217 39.000 -0.186 0.000 1.309 251 F HN 0.402 nan 8.300 nan 0.000 0.446 252 G N 3.835 111.880 108.800 -1.258 0.000 2.340 252 G HA2 0.470 4.428 3.960 -0.004 0.000 0.245 252 G HA3 0.470 4.428 3.960 -0.004 0.000 0.245 252 G C -1.162 173.752 174.900 0.025 0.000 1.294 252 G CA -0.123 44.688 45.100 -0.482 0.000 0.896 252 G HN 0.459 nan 8.290 nan 0.000 0.522 253 Q N 0.927 120.809 119.800 0.136 0.000 2.565 253 Q HA 0.367 4.705 4.340 -0.004 0.000 0.294 253 Q C -0.569 175.410 176.000 -0.034 0.000 1.005 253 Q CA -0.789 55.026 55.803 0.019 0.000 0.771 253 Q CB 2.272 30.890 28.738 -0.200 0.000 1.486 253 Q HN 0.536 nan 8.270 nan 0.000 0.422 254 I N 1.586 121.979 120.570 -0.295 0.000 2.342 254 I HA 0.324 4.491 4.170 -0.004 0.000 0.291 254 I C -0.736 175.146 176.117 -0.391 0.000 1.010 254 I CA -0.295 60.825 61.300 -0.299 0.000 1.308 254 I CB 0.324 38.014 38.000 -0.516 0.000 1.400 254 I HN 0.419 nan 8.210 nan 0.000 0.488 255 Y N 3.352 123.427 120.300 -0.374 0.000 2.693 255 Y HA 0.664 5.212 4.550 -0.004 0.000 0.331 255 Y C 0.262 175.727 175.900 -0.725 0.000 1.092 255 Y CA -0.701 57.121 58.100 -0.463 0.000 1.131 255 Y CB 2.049 40.161 38.460 -0.580 0.000 1.318 255 Y HN 0.582 nan 8.280 nan 0.000 0.510 256 S N -0.705 114.750 115.700 -0.409 0.000 2.587 256 S HA 0.817 5.284 4.470 -0.004 0.000 0.269 256 S C -1.059 173.438 174.600 -0.172 0.000 1.154 256 S CA -0.431 57.450 58.200 -0.532 0.000 0.824 256 S CB 1.689 64.307 63.200 -0.970 0.000 1.118 256 S HN 0.972 nan 8.310 nan 0.000 0.462 257 T N -1.429 113.089 114.554 -0.060 0.000 2.812 257 T HA 0.736 5.084 4.350 -0.004 0.000 0.294 257 T C -1.169 173.543 174.700 0.021 0.000 1.159 257 T CA -0.602 61.523 62.100 0.043 0.000 1.008 257 T CB 0.883 69.838 68.868 0.146 0.000 1.289 257 T HN 0.833 nan 8.240 nan 0.000 0.514 258 D N 0.242 120.666 120.400 0.040 0.000 2.411 258 D HA 0.260 4.898 4.640 -0.004 0.000 0.251 258 D C 1.272 177.614 176.300 0.070 0.000 1.201 258 D CA -1.026 53.009 54.000 0.059 0.000 0.996 258 D CB 0.242 41.075 40.800 0.055 0.000 1.101 258 D HN 0.487 nan 8.370 nan 0.000 0.504 259 L N -0.823 120.453 121.223 0.089 0.000 2.642 259 L HA -0.047 4.291 4.340 -0.004 0.000 0.236 259 L C 1.208 178.111 176.870 0.055 0.000 1.169 259 L CA 0.837 55.726 54.840 0.082 0.000 0.851 259 L CB -0.449 41.672 42.059 0.103 0.000 0.968 259 L HN 0.509 nan 8.230 nan 0.000 0.453 260 D N -0.294 120.131 120.400 0.042 0.000 2.398 260 D HA 0.072 4.709 4.640 -0.004 0.000 0.210 260 D C 1.483 177.784 176.300 0.002 0.000 1.094 260 D CA 0.740 54.751 54.000 0.019 0.000 0.839 260 D CB 0.794 41.604 40.800 0.016 0.000 0.963 260 D HN 0.304 nan 8.370 nan 0.000 0.506 261 G N 1.651 110.461 108.800 0.016 0.000 2.162 261 G HA2 -0.243 3.715 3.960 -0.004 0.000 0.260 261 G HA3 -0.243 3.715 3.960 -0.004 0.000 0.260 261 G C 0.536 175.443 174.900 0.012 0.000 0.976 261 G CA 0.385 45.489 45.100 0.006 0.000 0.655 261 G HN 0.183 nan 8.290 nan 0.000 0.533 262 K N 0.102 120.512 120.400 0.016 0.000 2.240 262 K HA 0.534 4.852 4.320 -0.004 0.000 0.237 262 K C 0.582 177.194 176.600 0.021 0.000 1.027 262 K CA -0.250 56.045 56.287 0.012 0.000 0.937 262 K CB 0.310 32.813 32.500 0.006 0.000 1.171 262 K HN 0.143 nan 8.250 nan 0.000 0.479 263 D N 0.661 121.069 120.400 0.013 0.000 2.705 263 D HA -0.179 4.459 4.640 -0.004 0.000 0.240 263 D C -0.863 175.444 176.300 0.012 0.000 1.137 263 D CA 0.182 54.188 54.000 0.011 0.000 0.677 263 D CB -0.970 39.838 40.800 0.013 0.000 1.049 263 D HN 0.383 nan 8.370 nan 0.000 0.427 264 L N 0.933 122.169 121.223 0.022 0.000 2.540 264 L HA 0.262 4.600 4.340 -0.004 0.000 0.276 264 L C 0.440 177.312 176.870 0.005 0.000 1.212 264 L CA 0.840 55.705 54.840 0.041 0.000 0.893 264 L CB 0.328 42.426 42.059 0.065 0.000 1.138 264 L HN 0.193 nan 8.230 nan 0.000 0.491 265 R N 4.207 124.683 120.500 -0.040 0.000 2.750 265 R HA 0.465 4.803 4.340 -0.004 0.000 0.281 265 R C -1.083 174.993 176.300 -0.372 0.000 0.972 265 R CA -1.017 54.952 56.100 -0.218 0.000 0.912 265 R CB 1.775 31.882 30.300 -0.322 0.000 1.187 265 R HN 0.514 nan 8.270 nan 0.000 0.464 266 K N 1.632 121.712 120.400 -0.534 0.000 2.339 266 K HA 0.229 4.547 4.320 -0.004 0.000 0.264 266 K C -0.408 175.730 176.600 -0.769 0.000 0.986 266 K CA -0.406 55.402 56.287 -0.799 0.000 0.866 266 K CB 0.715 32.861 32.500 -0.590 0.000 1.103 266 K HN 0.685 nan 8.250 nan 0.000 0.441 267 H N 0.715 119.476 119.070 -0.514 0.000 2.586 267 H HA 0.087 4.641 4.556 -0.004 0.000 0.273 267 H C -0.081 174.953 175.328 -0.491 0.000 0.997 267 H CA 0.338 56.160 56.048 -0.376 0.000 1.177 267 H CB 0.884 30.446 29.762 -0.332 0.000 1.471 267 H HN 0.636 nan 8.280 nan 0.000 0.538 268 T N -3.060 111.158 114.554 -0.560 0.000 2.864 268 T HA 0.553 4.901 4.350 -0.004 0.000 0.299 268 T C -0.008 174.290 174.700 -0.669 0.000 1.166 268 T CA -1.005 60.641 62.100 -0.756 0.000 1.007 268 T CB 2.109 70.216 68.868 -1.269 0.000 1.219 268 T HN -0.092 nan 8.240 nan 0.000 0.506 269 S N 0.710 115.993 115.700 -0.696 0.000 2.526 269 S HA 0.380 4.848 4.470 -0.004 0.000 0.220 269 S C -0.485 173.900 174.600 -0.359 0.000 1.159 269 S CA -0.778 57.167 58.200 -0.424 0.000 1.196 269 S CB -0.591 62.441 63.200 -0.280 0.000 1.225 269 S HN 0.602 nan 8.310 nan 0.000 0.432 270 F N 1.875 121.719 119.950 -0.176 0.000 2.496 270 F HA 0.216 4.741 4.527 -0.004 0.000 0.344 270 F C 1.985 177.446 175.800 -0.565 0.000 1.155 270 F CA 0.211 58.089 58.000 -0.203 0.000 1.302 270 F CB 0.756 39.749 39.000 -0.013 0.000 1.159 270 F HN 0.297 nan 8.300 nan 0.000 0.595 271 T N -4.301 110.014 114.554 -0.398 0.000 3.046 271 T HA 0.026 4.374 4.350 -0.004 0.000 0.270 271 T C 0.792 175.151 174.700 -0.568 0.000 0.920 271 T CA 0.203 61.799 62.100 -0.841 0.000 0.874 271 T CB -0.142 68.465 68.868 -0.436 0.000 1.214 271 T HN 0.548 nan 8.240 nan 0.000 0.536 272 D N 1.185 121.454 120.400 -0.218 0.000 2.154 272 D HA 0.084 4.721 4.640 -0.004 0.000 0.211 272 D C 0.021 176.150 176.300 -0.285 0.000 0.977 272 D CA 0.858 54.700 54.000 -0.263 0.000 0.869 272 D CB -0.386 40.314 40.800 -0.167 0.000 1.022 272 D HN 0.547 nan 8.370 nan 0.000 0.461 273 Y N -1.872 118.644 120.300 0.360 0.000 2.553 273 Y HA 0.402 4.950 4.550 -0.004 0.000 0.347 273 Y C -0.746 175.416 175.900 0.437 0.000 1.019 273 Y CA -1.536 56.804 58.100 0.401 0.000 1.032 273 Y CB 1.189 39.758 38.460 0.181 0.000 1.284 273 Y HN -0.207 nan 8.280 nan 0.000 0.466 274 Y N 3.933 124.360 120.300 0.211 0.000 2.511 274 Y HA 0.143 4.691 4.550 -0.004 0.000 0.332 274 Y C -1.987 173.965 175.900 0.088 0.000 1.177 274 Y CA -2.303 55.813 58.100 0.027 0.000 1.422 274 Y CB 0.096 38.509 38.460 -0.079 0.000 1.271 274 Y HN 0.237 nan 8.280 nan 0.000 0.550 275 P HA 0.294 nan 4.420 nan 0.000 0.277 275 P C -0.650 176.779 177.300 0.215 0.000 1.240 275 P CA -0.331 62.806 63.100 0.062 0.000 0.798 275 P CB 1.380 32.949 31.700 -0.218 0.000 0.979 276 R N 0.473 121.161 120.500 0.313 0.000 2.707 276 R HA 0.276 4.614 4.340 -0.004 0.000 0.272 276 R C -0.525 176.048 176.300 0.454 0.000 1.011 276 R CA -0.986 55.322 56.100 0.347 0.000 0.893 276 R CB 0.009 30.503 30.300 0.324 0.000 1.233 276 R HN 0.756 nan 8.270 nan 0.000 0.464 277 H N 0.510 119.753 119.070 0.287 0.000 2.765 277 H HA -0.141 4.412 4.556 -0.004 0.000 0.332 277 H C -0.781 174.734 175.328 0.313 0.000 1.180 277 H CA 0.231 56.458 56.048 0.298 0.000 1.142 277 H CB -0.961 28.975 29.762 0.291 0.000 1.576 277 H HN 0.378 nan 8.280 nan 0.000 0.420 278 L N 1.846 123.209 121.223 0.233 0.000 2.456 278 L HA 0.226 4.564 4.340 -0.004 0.000 0.272 278 L C 0.882 177.846 176.870 0.157 0.000 1.189 278 L CA 0.560 55.543 54.840 0.238 0.000 0.846 278 L CB 0.816 42.985 42.059 0.182 0.000 1.111 278 L HN 0.610 nan 8.230 nan 0.000 0.475 279 N N 0.010 118.843 118.700 0.222 0.000 2.484 279 N HA 0.520 5.258 4.740 -0.004 0.000 0.269 279 N C -1.367 174.272 175.510 0.215 0.000 1.237 279 N CA -0.512 52.662 53.050 0.207 0.000 0.838 279 N CB 2.581 41.217 38.487 0.247 0.000 1.593 279 N HN 0.512 nan 8.380 nan 0.000 0.485 280 T N -0.786 113.886 114.554 0.197 0.000 2.868 280 T HA 0.253 4.601 4.350 -0.004 0.000 0.306 280 T C -1.293 173.492 174.700 0.143 0.000 1.224 280 T CA -0.565 61.626 62.100 0.151 0.000 1.012 280 T CB 1.077 70.007 68.868 0.103 0.000 1.221 280 T HN 0.646 nan 8.240 nan 0.000 0.499 281 D N 0.418 120.865 120.400 0.079 0.000 2.402 281 D HA 0.320 4.958 4.640 -0.004 0.000 0.216 281 D C 1.397 177.696 176.300 -0.002 0.000 1.128 281 D CA 0.594 54.613 54.000 0.030 0.000 0.833 281 D CB -0.052 40.691 40.800 -0.095 0.000 0.971 281 D HN 1.066 nan 8.370 nan 0.000 0.503 282 G N 0.685 109.498 108.800 0.023 0.000 2.213 282 G HA2 -0.359 3.599 3.960 -0.004 0.000 0.236 282 G HA3 -0.359 3.599 3.960 -0.004 0.000 0.236 282 G C 1.145 176.035 174.900 -0.017 0.000 0.991 282 G CA 0.305 45.413 45.100 0.014 0.000 0.629 282 G HN 0.499 nan 8.290 nan 0.000 0.517 283 R N -0.346 120.128 120.500 -0.042 0.000 2.197 283 R HA 0.394 4.731 4.340 -0.004 0.000 0.188 283 R C 0.958 177.203 176.300 -0.092 0.000 1.015 283 R CA 0.251 56.312 56.100 -0.064 0.000 1.132 283 R CB 0.478 30.736 30.300 -0.070 0.000 1.134 283 R HN 0.354 nan 8.270 nan 0.000 0.560 284 R N 0.058 120.518 120.500 -0.067 0.000 2.787 284 R HA 0.501 4.838 4.340 -0.004 0.000 0.271 284 R C -0.868 175.435 176.300 0.006 0.000 0.993 284 R CA -0.650 55.413 56.100 -0.062 0.000 0.993 284 R CB 2.135 32.417 30.300 -0.030 0.000 1.155 284 R HN 0.057 nan 8.270 nan 0.000 0.486 285 I N 2.294 122.899 120.570 0.059 0.000 2.406 285 I HA 0.291 4.459 4.170 -0.004 0.000 0.290 285 I C -1.043 175.265 176.117 0.317 0.000 0.999 285 I CA -0.990 60.424 61.300 0.190 0.000 1.124 285 I CB 1.764 39.905 38.000 0.234 0.000 1.289 285 I HN 0.237 nan 8.210 nan 0.000 0.441 286 L N 8.355 129.766 121.223 0.314 0.000 2.331 286 L HA 0.744 5.082 4.340 -0.004 0.000 0.275 286 L C -0.995 176.134 176.870 0.432 0.000 1.022 286 L CA -0.212 54.809 54.840 0.301 0.000 0.812 286 L CB 1.440 43.651 42.059 0.253 0.000 1.257 286 L HN 0.511 nan 8.230 nan 0.000 0.435 287 F N 0.679 120.783 119.950 0.257 0.000 2.741 287 F HA 0.807 5.331 4.527 -0.004 0.000 0.313 287 F C -1.072 174.875 175.800 0.244 0.000 1.153 287 F CA -0.709 57.444 58.000 0.255 0.000 0.931 287 F CB 0.881 40.009 39.000 0.213 0.000 1.335 287 F HN 0.508 nan 8.300 nan 0.000 0.460 288 S N 1.024 116.965 115.700 0.402 0.000 2.578 288 S HA 0.798 5.265 4.470 -0.004 0.000 0.301 288 S C -1.169 173.629 174.600 0.331 0.000 1.091 288 S CA -0.796 57.547 58.200 0.237 0.000 1.032 288 S CB 1.988 65.290 63.200 0.169 0.000 1.064 288 S HN 1.009 nan 8.310 nan 0.000 0.508 289 K N 0.490 121.030 120.400 0.233 0.000 2.587 289 K HA 0.473 4.791 4.320 -0.004 0.000 0.256 289 K C 0.373 177.025 176.600 0.088 0.000 0.974 289 K CA 0.069 56.463 56.287 0.178 0.000 0.855 289 K CB 0.772 33.292 32.500 0.033 0.000 1.292 289 K HN 1.397 nan 8.250 nan 0.000 0.444 290 G N 2.546 111.290 108.800 -0.094 0.000 2.321 290 G HA2 -0.215 3.743 3.960 -0.004 0.000 0.287 290 G HA3 -0.215 3.743 3.960 -0.004 0.000 0.287 290 G C 0.795 175.455 174.900 -0.401 0.000 1.018 290 G CA 0.959 45.671 45.100 -0.646 0.000 0.855 290 G HN 1.658 nan 8.290 nan 0.000 0.507 291 G N -2.696 105.981 108.800 -0.204 0.000 2.175 291 G HA2 -0.036 3.921 3.960 -0.004 0.000 0.244 291 G HA3 -0.036 3.921 3.960 -0.004 0.000 0.244 291 G C 0.422 175.214 174.900 -0.181 0.000 0.982 291 G CA 0.751 45.745 45.100 -0.176 0.000 0.641 291 G HN 1.684 nan 8.290 nan 0.000 0.527 292 S N -0.014 115.599 115.700 -0.146 0.000 2.648 292 S HA 0.819 5.286 4.470 -0.004 0.000 0.305 292 S C -0.159 174.269 174.600 -0.286 0.000 1.094 292 S CA -0.718 57.310 58.200 -0.286 0.000 0.983 292 S CB 1.517 64.476 63.200 -0.403 0.000 1.101 292 S HN 0.288 nan 8.310 nan 0.000 0.514 293 I N 2.377 122.655 120.570 -0.487 0.000 2.377 293 I HA 0.438 4.606 4.170 -0.004 0.000 0.293 293 I C -1.035 174.752 176.117 -0.551 0.000 0.987 293 I CA -0.442 60.619 61.300 -0.398 0.000 1.185 293 I CB 0.506 38.259 38.000 -0.412 0.000 1.341 293 I HN 0.594 nan 8.210 nan 0.000 0.455 294 Y N 5.413 125.373 120.300 -0.567 0.000 2.602 294 Y HA 0.627 5.175 4.550 -0.004 0.000 0.342 294 Y C 0.087 175.698 175.900 -0.482 0.000 1.029 294 Y CA -0.832 56.907 58.100 -0.601 0.000 1.080 294 Y CB 2.165 40.067 38.460 -0.930 0.000 1.284 294 Y HN 0.288 nan 8.280 nan 0.000 0.485 295 I N 2.153 122.743 120.570 0.034 0.000 2.465 295 I HA 0.265 4.433 4.170 -0.004 0.000 0.291 295 I C -1.474 174.859 176.117 0.360 0.000 1.014 295 I CA -0.763 60.634 61.300 0.162 0.000 1.093 295 I CB 1.793 39.855 38.000 0.104 0.000 1.267 295 I HN 0.412 nan 8.210 nan 0.000 0.431 296 F N 6.191 126.305 119.950 0.272 0.000 2.426 296 F HA 0.459 4.984 4.527 -0.004 0.000 0.348 296 F C -0.608 175.227 175.800 0.058 0.000 1.124 296 F CA -0.876 57.260 58.000 0.225 0.000 1.008 296 F CB 0.912 40.071 39.000 0.264 0.000 1.139 296 F HN 0.349 nan 8.300 nan 0.000 0.452 297 N N 8.698 127.042 118.700 -0.593 0.000 2.462 297 N HA 0.306 5.044 4.740 -0.004 0.000 0.242 297 N C -2.208 172.723 175.510 -0.966 0.000 1.010 297 N CA -1.401 51.303 53.050 -0.577 0.000 0.939 297 N CB 1.255 39.577 38.487 -0.276 0.000 1.127 297 N HN 0.349 nan 8.380 nan 0.000 0.509 298 P HA -0.138 nan 4.420 nan 0.000 0.219 298 P C 0.317 177.436 177.300 -0.303 0.000 1.146 298 P CA 1.069 63.760 63.100 -0.682 0.000 0.808 298 P CB 0.386 31.783 31.700 -0.504 0.000 0.779 299 D N -1.272 118.984 120.400 -0.241 0.000 2.075 299 D HA -0.091 4.547 4.640 -0.004 0.000 0.196 299 D C 1.778 178.023 176.300 -0.092 0.000 0.985 299 D CA 1.595 55.525 54.000 -0.115 0.000 0.834 299 D CB -1.098 39.646 40.800 -0.094 0.000 0.987 299 D HN 0.121 nan 8.370 nan 0.000 0.452 300 T N -0.392 114.088 114.554 -0.125 0.000 3.067 300 T HA -0.011 4.337 4.350 -0.004 0.000 0.257 300 T C 0.907 175.576 174.700 -0.052 0.000 1.105 300 T CA 0.737 62.795 62.100 -0.071 0.000 1.104 300 T CB 0.367 69.199 68.868 -0.060 0.000 0.925 300 T HN 0.329 nan 8.240 nan 0.000 0.498 301 E N 0.249 120.360 120.200 -0.148 0.000 3.801 301 E HA -0.207 4.140 4.350 -0.004 0.000 0.319 301 E C 0.205 176.882 176.600 0.128 0.000 0.784 301 E CA 0.528 56.931 56.400 0.006 0.000 1.183 301 E CB -0.876 28.938 29.700 0.189 0.000 1.601 301 E HN 0.484 nan 8.360 nan 0.000 0.441 302 K N 1.050 121.454 120.400 0.007 0.000 2.270 302 K HA 0.415 4.733 4.320 -0.004 0.000 0.276 302 K C -0.256 176.455 176.600 0.185 0.000 1.023 302 K CA -0.236 56.105 56.287 0.091 0.000 0.955 302 K CB 0.586 33.110 32.500 0.039 0.000 0.975 302 K HN 0.161 nan 8.250 nan 0.000 0.471 303 I N 4.178 124.906 120.570 0.263 0.000 2.406 303 I HA 0.176 4.344 4.170 -0.004 0.000 0.290 303 I C -0.530 175.762 176.117 0.292 0.000 0.999 303 I CA -0.629 60.895 61.300 0.373 0.000 1.124 303 I CB 1.767 40.038 38.000 0.451 0.000 1.289 303 I HN 0.698 nan 8.210 nan 0.000 0.441 304 E N 6.275 126.638 120.200 0.271 0.000 2.234 304 E HA 0.417 4.765 4.350 -0.004 0.000 0.266 304 E C -1.132 175.562 176.600 0.156 0.000 0.877 304 E CA -1.138 55.374 56.400 0.187 0.000 0.758 304 E CB 2.471 32.231 29.700 0.099 0.000 1.170 304 E HN 0.375 nan 8.360 nan 0.000 0.415 305 K N 4.250 124.686 120.400 0.061 0.000 2.234 305 K HA 0.265 4.583 4.320 -0.004 0.000 0.282 305 K C -0.632 175.809 176.600 -0.265 0.000 1.039 305 K CA -0.538 55.563 56.287 -0.310 0.000 0.928 305 K CB 0.641 32.922 32.500 -0.365 0.000 1.039 305 K HN 0.581 nan 8.250 nan 0.000 0.470 306 I N 4.115 124.470 120.570 -0.359 0.000 2.395 306 I HA 0.063 4.231 4.170 -0.004 0.000 0.289 306 I C 0.276 176.199 176.117 -0.324 0.000 1.023 306 I CA -0.420 60.721 61.300 -0.264 0.000 1.350 306 I CB 1.127 38.965 38.000 -0.270 0.000 1.409 306 I HN 0.458 nan 8.210 nan 0.000 0.507 307 E N 7.182 127.251 120.200 -0.218 0.000 2.052 307 E HA 0.248 4.596 4.350 -0.004 0.000 0.283 307 E C 0.555 177.006 176.600 -0.249 0.000 1.071 307 E CA 0.067 56.346 56.400 -0.202 0.000 0.851 307 E CB 1.420 31.061 29.700 -0.099 0.000 1.066 307 E HN 0.592 nan 8.360 nan 0.000 0.396 308 I N 0.867 121.235 120.570 -0.336 0.000 3.300 308 I HA 0.130 4.297 4.170 -0.004 0.000 0.279 308 I C 1.158 177.156 176.117 -0.199 0.000 1.172 308 I CA 0.531 61.618 61.300 -0.354 0.000 1.431 308 I CB 0.168 37.843 38.000 -0.543 0.000 1.240 308 I HN 0.625 nan 8.210 nan 0.000 0.453 309 G N 1.618 110.299 108.800 -0.198 0.000 2.760 309 G HA2 -0.202 3.756 3.960 -0.004 0.000 0.246 309 G HA3 -0.202 3.756 3.960 -0.004 0.000 0.246 309 G C -0.945 173.867 174.900 -0.148 0.000 1.359 309 G CA -0.750 44.267 45.100 -0.138 0.000 0.861 309 G HN 0.208 nan 8.290 nan 0.000 0.541 310 D N 0.528 120.865 120.400 -0.105 0.000 2.389 310 D HA 0.323 4.961 4.640 -0.004 0.000 0.263 310 D C 1.255 177.491 176.300 -0.107 0.000 1.255 310 D CA -0.188 53.753 54.000 -0.100 0.000 0.914 310 D CB 1.149 41.913 40.800 -0.060 0.000 1.116 310 D HN 0.275 nan 8.370 nan 0.000 0.502 311 L N 2.060 123.175 121.223 -0.180 0.000 2.262 311 L HA 0.239 4.577 4.340 -0.004 0.000 0.197 311 L C 0.774 177.599 176.870 -0.074 0.000 1.073 311 L CA 1.042 55.719 54.840 -0.272 0.000 0.800 311 L CB -0.307 41.307 42.059 -0.741 0.000 0.987 311 L HN 0.469 nan 8.230 nan 0.000 0.470 312 E N -1.503 118.675 120.200 -0.036 0.000 2.347 312 E HA 0.308 4.656 4.350 -0.004 0.000 0.285 312 E C -1.389 175.246 176.600 0.057 0.000 0.925 312 E CA -0.109 56.349 56.400 0.096 0.000 0.779 312 E CB 1.702 31.558 29.700 0.259 0.000 1.233 312 E HN -0.157 nan 8.360 nan 0.000 0.414 313 S N 5.020 120.753 115.700 0.055 0.000 2.539 313 S HA 0.413 4.880 4.470 -0.004 0.000 0.235 313 S C -2.289 172.332 174.600 0.034 0.000 1.326 313 S CA -1.066 57.152 58.200 0.031 0.000 1.183 313 S CB 0.667 63.871 63.200 0.008 0.000 1.073 313 S HN 0.442 nan 8.310 nan 0.000 0.480 314 P HA 0.280 nan 4.420 nan 0.000 0.274 314 P C -0.338 176.967 177.300 0.008 0.000 1.256 314 P CA -0.476 62.642 63.100 0.031 0.000 0.795 314 P CB 0.425 32.150 31.700 0.040 0.000 1.038 315 E N 0.344 120.546 120.200 0.003 0.000 2.558 315 E HA -0.125 4.222 4.350 -0.004 0.000 0.255 315 E C 0.595 177.180 176.600 -0.025 0.000 0.968 315 E CA 0.627 57.022 56.400 -0.007 0.000 0.939 315 E CB -0.085 29.611 29.700 -0.008 0.000 0.921 315 E HN 0.424 nan 8.360 nan 0.000 0.477 316 D N 3.365 123.753 120.400 -0.020 0.000 2.183 316 D HA -0.083 4.554 4.640 -0.004 0.000 0.205 316 D C 0.369 176.628 176.300 -0.068 0.000 0.962 316 D CA 0.391 54.370 54.000 -0.034 0.000 0.849 316 D CB 0.219 41.049 40.800 0.050 0.000 0.978 316 D HN 0.312 nan 8.370 nan 0.000 0.488 317 R N 1.109 121.582 120.500 -0.045 0.000 2.248 317 R HA 0.259 4.597 4.340 -0.004 0.000 0.337 317 R C -0.220 176.048 176.300 -0.054 0.000 1.085 317 R CA -0.288 55.779 56.100 -0.055 0.000 0.934 317 R CB -0.073 30.207 30.300 -0.033 0.000 1.034 317 R HN 0.312 nan 8.270 nan 0.000 0.465 318 I N 1.226 121.753 120.570 -0.072 0.000 2.822 318 I HA 0.541 4.709 4.170 -0.004 0.000 0.312 318 I C -0.581 175.511 176.117 -0.042 0.000 1.011 318 I CA -1.163 60.103 61.300 -0.057 0.000 1.105 318 I CB 1.753 39.709 38.000 -0.074 0.000 1.291 318 I HN 0.399 nan 8.210 nan 0.000 0.474 319 I N 2.434 122.991 120.570 -0.021 0.000 2.433 319 I HA 0.422 4.590 4.170 -0.004 0.000 0.292 319 I C -0.453 175.676 176.117 0.019 0.000 1.001 319 I CA -0.232 61.066 61.300 -0.003 0.000 1.119 319 I CB 2.071 40.073 38.000 0.002 0.000 1.289 319 I HN 0.670 nan 8.210 nan 0.000 0.438 320 S N 5.778 121.503 115.700 0.042 0.000 2.570 320 S HA 0.601 5.069 4.470 -0.004 0.000 0.286 320 S C -0.399 174.290 174.600 0.148 0.000 1.099 320 S CA -0.644 57.631 58.200 0.124 0.000 0.913 320 S CB 2.094 65.356 63.200 0.104 0.000 1.085 320 S HN 0.348 nan 8.310 nan 0.000 0.480 321 I N 3.224 123.906 120.570 0.188 0.000 2.452 321 I HA 0.172 4.340 4.170 -0.004 0.000 0.287 321 I C -1.667 174.530 176.117 0.134 0.000 1.079 321 I CA -1.978 59.377 61.300 0.092 0.000 1.387 321 I CB 1.051 39.064 38.000 0.022 0.000 1.404 321 I HN 0.447 nan 8.210 nan 0.000 0.522 322 P HA -0.206 nan 4.420 nan 0.000 0.215 322 P C 1.621 178.960 177.300 0.065 0.000 1.157 322 P CA 1.434 64.602 63.100 0.114 0.000 0.874 322 P CB 0.099 31.817 31.700 0.030 0.000 0.790 323 S N -0.409 115.247 115.700 -0.074 0.000 2.419 323 S HA -0.164 4.303 4.470 -0.004 0.000 0.235 323 S C 1.688 176.195 174.600 -0.156 0.000 1.019 323 S CA 1.098 59.220 58.200 -0.129 0.000 0.982 323 S CB -1.028 62.073 63.200 -0.165 0.000 0.789 323 S HN 0.183 nan 8.310 nan 0.000 0.490 324 K N 0.085 120.334 120.400 -0.252 0.000 2.439 324 K HA 0.106 4.424 4.320 -0.004 0.000 0.197 324 K C -0.070 175.933 176.600 -0.996 0.000 1.041 324 K CA 0.706 56.623 56.287 -0.617 0.000 0.970 324 K CB -0.137 31.881 32.500 -0.803 0.000 0.773 324 K HN 0.596 nan 8.250 nan 0.000 0.479 325 F N -0.270 119.713 119.950 0.055 0.000 2.859 325 F HA 0.293 4.819 4.527 -0.003 0.000 0.324 325 F C 0.457 176.323 175.800 0.111 0.000 1.158 325 F CA -0.847 57.197 58.000 0.073 0.000 1.147 325 F CB 0.230 39.271 39.000 0.068 0.000 1.137 325 F HN -0.219 nan 8.300 nan 0.000 0.516 326 A N 1.053 123.983 122.820 0.183 0.000 2.507 326 A HA 0.506 4.823 4.320 -0.004 0.000 0.235 326 A C 0.223 177.940 177.584 0.221 0.000 1.070 326 A CA 0.530 52.708 52.037 0.235 0.000 0.768 326 A CB 0.276 19.352 19.000 0.128 0.000 1.011 326 A HN 0.524 nan 8.150 nan 0.000 0.502 327 E N -0.397 119.967 120.200 0.273 0.000 2.454 327 E HA 0.317 4.664 4.350 -0.004 0.000 0.279 327 E C -1.522 175.242 176.600 0.273 0.000 1.029 327 E CA -1.120 55.413 56.400 0.223 0.000 0.831 327 E CB 0.825 30.607 29.700 0.137 0.000 1.405 327 E HN 0.654 nan 8.360 nan 0.000 0.463 328 D N 1.340 121.858 120.400 0.197 0.000 6.738 328 D HA -0.202 4.436 4.640 -0.004 0.000 0.176 328 D C -1.372 175.069 176.300 0.235 0.000 1.109 328 D CA 0.910 54.998 54.000 0.146 0.000 0.936 328 D CB -0.616 40.275 40.800 0.151 0.000 1.412 328 D HN 0.347 nan 8.370 nan 0.000 0.801 329 F N 0.819 120.880 119.950 0.186 0.000 2.469 329 F HA 0.738 5.263 4.527 -0.004 0.000 0.332 329 F C -0.063 175.833 175.800 0.160 0.000 1.103 329 F CA -1.085 57.034 58.000 0.199 0.000 0.979 329 F CB 1.934 41.017 39.000 0.138 0.000 1.137 329 F HN 0.050 nan 8.300 nan 0.000 0.463 330 S N 3.220 119.072 115.700 0.253 0.000 2.541 330 S HA 0.642 5.110 4.470 -0.004 0.000 0.271 330 S C -3.091 171.619 174.600 0.182 0.000 1.133 330 S CA -1.460 56.822 58.200 0.136 0.000 0.876 330 S CB 2.222 65.474 63.200 0.087 0.000 1.105 330 S HN 0.611 nan 8.310 nan 0.000 0.470 331 P HA 0.442 nan 4.420 nan 0.000 0.284 331 P C -1.113 176.255 177.300 0.112 0.000 1.253 331 P CA -0.464 62.711 63.100 0.124 0.000 0.800 331 P CB 0.808 32.563 31.700 0.093 0.000 0.961 332 L N 1.446 122.737 121.223 0.112 0.000 2.256 332 L HA 0.477 4.814 4.340 -0.004 0.000 0.261 332 L C 0.520 177.461 176.870 0.118 0.000 1.022 332 L CA -1.162 53.755 54.840 0.129 0.000 0.828 332 L CB 0.997 43.138 42.059 0.136 0.000 1.374 332 L HN 0.210 nan 8.230 nan 0.000 0.436 333 D N 0.205 120.689 120.400 0.140 0.000 2.363 333 D HA 0.284 4.922 4.640 -0.004 0.000 0.240 333 D C 0.999 177.368 176.300 0.115 0.000 1.236 333 D CA 1.070 55.137 54.000 0.112 0.000 0.927 333 D CB 0.598 41.460 40.800 0.103 0.000 1.150 333 D HN 0.805 nan 8.370 nan 0.000 0.458 334 G N 0.804 109.654 108.800 0.084 0.000 2.168 334 G HA2 -0.358 3.599 3.960 -0.004 0.000 0.257 334 G HA3 -0.358 3.599 3.960 -0.004 0.000 0.257 334 G C 0.523 175.461 174.900 0.064 0.000 0.997 334 G CA 0.826 45.970 45.100 0.073 0.000 0.708 334 G HN 0.779 nan 8.290 nan 0.000 0.520 335 D N -2.138 118.300 120.400 0.065 0.000 3.068 335 D HA -0.168 4.470 4.640 -0.004 0.000 0.218 335 D C 0.755 177.094 176.300 0.065 0.000 1.145 335 D CA 1.510 55.546 54.000 0.061 0.000 0.896 335 D CB -1.307 39.525 40.800 0.053 0.000 1.105 335 D HN 0.786 nan 8.370 nan 0.000 0.423 336 L N -0.216 121.048 121.223 0.068 0.000 2.431 336 L HA 0.620 4.958 4.340 -0.004 0.000 0.260 336 L C 1.040 177.955 176.870 0.075 0.000 1.098 336 L CA -0.836 54.035 54.840 0.052 0.000 0.800 336 L CB 0.945 43.000 42.059 -0.006 0.000 1.210 336 L HN -0.045 nan 8.230 nan 0.000 0.465 337 I N -0.049 120.575 120.570 0.090 0.000 2.934 337 I HA 0.634 4.802 4.170 -0.004 0.000 0.306 337 I C -0.587 175.639 176.117 0.181 0.000 1.110 337 I CA -0.648 60.742 61.300 0.151 0.000 1.019 337 I CB 2.211 40.317 38.000 0.177 0.000 1.227 337 I HN 0.575 nan 8.210 nan 0.000 0.434 338 A N 4.021 126.980 122.820 0.232 0.000 2.365 338 A HA 0.929 5.247 4.320 -0.004 0.000 0.318 338 A C -1.208 176.605 177.584 0.381 0.000 1.091 338 A CA -0.381 51.795 52.037 0.232 0.000 0.763 338 A CB 1.190 20.293 19.000 0.172 0.000 1.248 338 A HN 0.660 nan 8.150 nan 0.000 0.442 339 F N 0.492 120.564 119.950 0.204 0.000 2.665 339 F HA 0.700 5.225 4.527 -0.003 0.000 0.308 339 F C -1.659 174.295 175.800 0.257 0.000 1.112 339 F CA -1.038 57.100 58.000 0.230 0.000 0.972 339 F CB 0.979 40.109 39.000 0.217 0.000 1.295 339 F HN 0.371 nan 8.300 nan 0.000 0.440 340 V N 2.548 122.611 119.914 0.247 0.000 2.483 340 V HA 0.786 4.903 4.120 -0.004 0.000 0.295 340 V C -0.586 175.676 176.094 0.281 0.000 1.035 340 V CA -0.448 61.921 62.300 0.115 0.000 0.896 340 V CB 1.494 33.355 31.823 0.062 0.000 0.986 340 V HN 0.959 nan 8.190 nan 0.000 0.447 341 S N 4.075 119.925 115.700 0.250 0.000 2.603 341 S HA 0.527 4.995 4.470 -0.004 0.000 0.274 341 S C -0.048 174.695 174.600 0.238 0.000 1.168 341 S CA -0.703 57.696 58.200 0.330 0.000 0.963 341 S CB 0.858 64.348 63.200 0.484 0.000 1.078 341 S HN 0.806 nan 8.310 nan 0.000 0.477 342 R N 2.898 123.518 120.500 0.200 0.000 3.416 342 R HA -0.209 4.129 4.340 -0.004 0.000 0.263 342 R C 0.996 177.299 176.300 0.006 0.000 1.053 342 R CA 1.271 57.406 56.100 0.059 0.000 0.705 342 R CB -1.838 28.437 30.300 -0.041 0.000 1.124 342 R HN 1.940 nan 8.270 nan 0.000 0.444 343 G N -1.091 107.709 108.800 0.000 0.000 2.168 343 G HA2 -0.363 3.595 3.960 -0.004 0.000 0.263 343 G HA3 -0.363 3.595 3.960 -0.004 0.000 0.263 343 G C -0.023 174.815 174.900 -0.104 0.000 0.977 343 G CA 0.885 45.949 45.100 -0.060 0.000 0.659 343 G HN 0.543 nan 8.290 nan 0.000 0.533 344 Q N -0.434 119.313 119.800 -0.088 0.000 2.297 344 Q HA 0.762 5.100 4.340 -0.004 0.000 0.268 344 Q C -0.104 175.650 176.000 -0.409 0.000 1.045 344 Q CA -0.181 55.461 55.803 -0.268 0.000 0.861 344 Q CB 2.169 30.790 28.738 -0.195 0.000 1.344 344 Q HN 0.776 nan 8.270 nan 0.000 0.452 345 A N 1.485 123.830 122.820 -0.793 0.000 2.386 345 A HA 0.847 5.165 4.320 -0.004 0.000 0.311 345 A C -1.516 175.377 177.584 -1.151 0.000 1.068 345 A CA -0.443 51.169 52.037 -0.708 0.000 0.743 345 A CB 0.801 19.546 19.000 -0.425 0.000 1.258 345 A HN 0.558 nan 8.150 nan 0.000 0.429 346 F N 0.565 120.217 119.950 -0.497 0.000 2.599 346 F HA 0.701 5.226 4.527 -0.004 0.000 0.311 346 F C -0.564 175.115 175.800 -0.201 0.000 1.076 346 F CA -0.814 56.956 58.000 -0.383 0.000 0.937 346 F CB 1.907 40.584 39.000 -0.539 0.000 1.282 346 F HN 0.255 nan 8.300 nan 0.000 0.460 347 I N 1.930 122.548 120.570 0.081 0.000 2.433 347 I HA 0.541 4.709 4.170 -0.004 0.000 0.292 347 I C -0.682 175.481 176.117 0.077 0.000 1.001 347 I CA -0.643 60.656 61.300 -0.002 0.000 1.119 347 I CB 1.786 39.653 38.000 -0.221 0.000 1.289 347 I HN 0.718 nan 8.210 nan 0.000 0.438 348 Q N 4.395 124.258 119.800 0.105 0.000 2.575 348 Q HA 0.502 4.840 4.340 -0.004 0.000 0.290 348 Q C -1.783 174.289 176.000 0.121 0.000 0.963 348 Q CA -1.106 54.785 55.803 0.146 0.000 0.783 348 Q CB 1.914 30.785 28.738 0.222 0.000 1.467 348 Q HN 0.551 nan 8.270 nan 0.000 0.402 349 D N 0.552 121.040 120.400 0.147 0.000 2.398 349 D HA 0.047 4.685 4.640 -0.004 0.000 0.247 349 D C 1.396 177.755 176.300 0.098 0.000 1.227 349 D CA 0.070 54.148 54.000 0.131 0.000 0.980 349 D CB 1.243 42.166 40.800 0.205 0.000 1.106 349 D HN 0.622 nan 8.370 nan 0.000 0.493 350 V N -1.054 118.905 119.914 0.075 0.000 2.407 350 V HA -0.232 3.886 4.120 -0.004 0.000 0.248 350 V C 2.194 178.291 176.094 0.006 0.000 1.055 350 V CA 2.340 64.662 62.300 0.036 0.000 1.049 350 V CB -1.460 30.385 31.823 0.037 0.000 0.662 350 V HN 0.682 nan 8.190 nan 0.000 0.455 351 S N 0.527 116.243 115.700 0.028 0.000 2.522 351 S HA 0.260 4.727 4.470 -0.004 0.000 0.227 351 S C 1.794 176.378 174.600 -0.026 0.000 0.986 351 S CA 0.780 58.977 58.200 -0.003 0.000 0.929 351 S CB -0.417 62.793 63.200 0.016 0.000 0.769 351 S HN 2.017 nan 8.310 nan 0.000 0.529 352 G N 0.612 109.412 108.800 0.001 0.000 2.198 352 G HA2 -0.306 3.651 3.960 -0.004 0.000 0.260 352 G HA3 -0.306 3.651 3.960 -0.004 0.000 0.260 352 G C 0.578 175.450 174.900 -0.046 0.000 1.025 352 G CA 0.810 45.903 45.100 -0.012 0.000 0.769 352 G HN 0.678 nan 8.290 nan 0.000 0.507 353 T N -1.596 112.913 114.554 -0.074 0.000 3.010 353 T HA 0.254 4.602 4.350 -0.004 0.000 0.252 353 T C 0.740 175.201 174.700 -0.400 0.000 1.047 353 T CA 0.962 62.905 62.100 -0.261 0.000 1.140 353 T CB 0.084 68.733 68.868 -0.365 0.000 0.885 353 T HN 0.354 nan 8.240 nan 0.000 0.464 354 Y N 1.733 122.052 120.300 0.032 0.000 2.417 354 Y HA 0.605 5.152 4.550 -0.004 0.000 0.336 354 Y C -0.560 175.374 175.900 0.058 0.000 0.961 354 Y CA -0.962 57.164 58.100 0.043 0.000 1.215 354 Y CB 1.242 39.726 38.460 0.041 0.000 1.120 354 Y HN -0.125 nan 8.280 nan 0.000 0.499 355 V N 5.524 125.532 119.914 0.157 0.000 2.588 355 V HA 0.481 4.598 4.120 -0.004 0.000 0.304 355 V C -0.465 175.735 176.094 0.176 0.000 1.042 355 V CA -1.021 61.378 62.300 0.165 0.000 0.877 355 V CB 2.167 34.067 31.823 0.128 0.000 0.996 355 V HN 0.557 nan 8.190 nan 0.000 0.425 356 L N 4.170 125.504 121.223 0.184 0.000 2.349 356 L HA 0.576 4.914 4.340 -0.004 0.000 0.278 356 L C -0.149 176.787 176.870 0.109 0.000 0.996 356 L CA -0.552 54.380 54.840 0.153 0.000 0.825 356 L CB 1.919 44.071 42.059 0.156 0.000 1.243 356 L HN 0.595 nan 8.230 nan 0.000 0.412 357 K N 2.488 122.904 120.400 0.027 0.000 2.205 357 K HA 0.405 4.723 4.320 -0.004 0.000 0.279 357 K C -0.631 175.736 176.600 -0.390 0.000 1.027 357 K CA -0.597 55.516 56.287 -0.290 0.000 0.932 357 K CB 1.479 33.831 32.500 -0.245 0.000 1.032 357 K HN 0.343 nan 8.250 nan 0.000 0.466 358 V N 7.071 126.625 119.914 -0.600 0.000 2.485 358 V HA 0.075 4.193 4.120 -0.004 0.000 0.287 358 V C -1.661 174.019 176.094 -0.690 0.000 1.022 358 V CA -1.176 60.663 62.300 -0.768 0.000 1.067 358 V CB 0.684 32.057 31.823 -0.750 0.000 0.967 358 V HN 0.834 nan 8.190 nan 0.000 0.479 359 P HA 0.173 nan 4.420 nan 0.000 0.235 359 P C -0.279 176.794 177.300 -0.378 0.000 1.720 359 P CA 0.226 63.077 63.100 -0.416 0.000 1.003 359 P CB 0.213 31.741 31.700 -0.286 0.000 1.968 360 E N 2.069 122.025 120.200 -0.408 0.000 2.331 360 E HA 0.372 4.719 4.350 -0.004 0.000 0.275 360 E C -2.191 174.268 176.600 -0.236 0.000 0.895 360 E CA -1.946 54.239 56.400 -0.359 0.000 0.753 360 E CB 2.116 31.503 29.700 -0.522 0.000 1.216 360 E HN 0.217 nan 8.360 nan 0.000 0.434 361 P HA 0.096 nan 4.420 nan 0.000 0.280 361 P C 0.410 177.753 177.300 0.072 0.000 1.278 361 P CA -0.448 62.640 63.100 -0.020 0.000 0.787 361 P CB 0.785 32.498 31.700 0.023 0.000 1.163 362 L N 0.400 121.639 121.223 0.026 0.000 2.573 362 L HA -0.077 4.260 4.340 -0.004 0.000 0.290 362 L C 1.269 178.090 176.870 -0.082 0.000 1.247 362 L CA 0.514 55.339 54.840 -0.025 0.000 0.876 362 L CB -0.254 41.782 42.059 -0.038 0.000 1.123 362 L HN 0.518 nan 8.230 nan 0.000 0.505 363 R N 3.148 123.580 120.500 -0.114 0.000 3.022 363 R HA -0.117 4.221 4.340 -0.004 0.000 0.268 363 R C -1.023 175.171 176.300 -0.177 0.000 0.964 363 R CA 0.324 56.330 56.100 -0.157 0.000 0.653 363 R CB -1.412 28.791 30.300 -0.161 0.000 1.382 363 R HN 0.513 nan 8.270 nan 0.000 0.428 364 I N 2.364 122.864 120.570 -0.116 0.000 2.352 364 I HA 0.083 4.250 4.170 -0.004 0.000 0.290 364 I C 1.883 177.930 176.117 -0.117 0.000 1.036 364 I CA -0.016 61.242 61.300 -0.070 0.000 1.336 364 I CB 0.896 38.790 38.000 -0.178 0.000 1.407 364 I HN 0.240 nan 8.210 nan 0.000 0.497 365 R N 4.691 125.117 120.500 -0.124 0.000 2.105 365 R HA 0.144 4.482 4.340 -0.004 0.000 0.214 365 R C -0.547 175.348 176.300 -0.676 0.000 1.091 365 R CA 0.798 56.646 56.100 -0.421 0.000 1.007 365 R CB 0.283 30.300 30.300 -0.471 0.000 0.912 365 R HN 0.461 nan 8.270 nan 0.000 0.450 366 Y N -1.203 119.155 120.300 0.096 0.000 2.588 366 Y HA 0.511 5.058 4.550 -0.004 0.000 0.343 366 Y C -0.693 175.310 175.900 0.172 0.000 1.065 366 Y CA -1.219 56.947 58.100 0.110 0.000 1.038 366 Y CB 2.254 40.772 38.460 0.097 0.000 1.297 366 Y HN -0.394 nan 8.280 nan 0.000 0.467 367 V N 2.061 122.164 119.914 0.315 0.000 2.733 367 V HA 0.696 4.814 4.120 -0.004 0.000 0.306 367 V C -1.009 175.223 176.094 0.230 0.000 1.084 367 V CA -0.769 61.699 62.300 0.280 0.000 0.905 367 V CB 2.073 34.017 31.823 0.203 0.000 1.010 367 V HN 0.677 nan 8.190 nan 0.000 0.424 368 R N 1.987 122.619 120.500 0.219 0.000 2.698 368 R HA 0.644 4.982 4.340 -0.004 0.000 0.275 368 R C -0.630 175.768 176.300 0.163 0.000 1.001 368 R CA -1.003 55.196 56.100 0.165 0.000 0.896 368 R CB 1.495 31.877 30.300 0.137 0.000 1.218 368 R HN 0.826 nan 8.270 nan 0.000 0.462 369 R N 0.931 121.514 120.500 0.138 0.000 2.502 369 R HA 0.193 4.531 4.340 -0.004 0.000 0.292 369 R C 0.279 176.639 176.300 0.099 0.000 0.998 369 R CA 1.394 57.576 56.100 0.136 0.000 1.056 369 R CB 0.161 30.527 30.300 0.111 0.000 0.939 369 R HN 0.751 nan 8.270 nan 0.000 0.411 370 G N 1.568 110.427 108.800 0.098 0.000 3.104 370 G HA2 0.443 4.400 3.960 -0.004 0.000 0.237 370 G HA3 0.443 4.400 3.960 -0.004 0.000 0.237 370 G C 0.194 175.103 174.900 0.015 0.000 1.035 370 G CA 0.259 45.389 45.100 0.050 0.000 0.844 370 G HN 0.968 nan 8.290 nan 0.000 0.531 371 G N -0.205 108.606 108.800 0.019 0.000 2.325 371 G HA2 0.315 4.272 3.960 -0.004 0.000 0.295 371 G HA3 0.315 4.272 3.960 -0.004 0.000 0.295 371 G C -0.423 174.465 174.900 -0.020 0.000 1.274 371 G CA 0.107 45.198 45.100 -0.015 0.000 0.857 371 G HN -0.170 nan 8.290 nan 0.000 0.499 372 D N 0.064 120.435 120.400 -0.049 0.000 2.116 372 D HA -0.067 4.571 4.640 -0.004 0.000 0.193 372 D C 2.155 178.390 176.300 -0.108 0.000 0.998 372 D CA 2.557 56.528 54.000 -0.050 0.000 0.836 372 D CB -0.089 40.674 40.800 -0.063 0.000 0.951 372 D HN 0.671 nan 8.370 nan 0.000 0.449 373 T N -2.993 111.374 114.554 -0.312 0.000 3.442 373 T HA 0.383 4.731 4.350 -0.004 0.000 0.295 373 T C 0.118 174.191 174.700 -1.045 0.000 1.007 373 T CA -0.712 60.843 62.100 -0.907 0.000 0.962 373 T CB 0.545 68.954 68.868 -0.765 0.000 1.187 373 T HN -0.153 nan 8.240 nan 0.000 0.490 374 K N 0.459 120.626 120.400 -0.387 0.000 2.375 374 K HA 0.810 5.128 4.320 -0.004 0.000 0.249 374 K C -1.654 175.016 176.600 0.116 0.000 0.942 374 K CA -1.029 55.167 56.287 -0.151 0.000 0.806 374 K CB 3.161 35.603 32.500 -0.098 0.000 1.227 374 K HN 0.078 nan 8.250 nan 0.000 0.430 375 V N 1.171 121.214 119.914 0.216 0.000 2.841 375 V HA 0.669 4.787 4.120 -0.004 0.000 0.310 375 V C -1.377 174.886 176.094 0.281 0.000 1.090 375 V CA -0.540 61.935 62.300 0.291 0.000 0.930 375 V CB 1.928 33.993 31.823 0.404 0.000 1.014 375 V HN 0.949 nan 8.190 nan 0.000 0.425 376 A N 5.481 128.427 122.820 0.211 0.000 2.306 376 A HA 1.020 5.338 4.320 -0.004 0.000 0.330 376 A C -0.960 176.762 177.584 0.230 0.000 1.146 376 A CA -0.365 51.742 52.037 0.117 0.000 0.827 376 A CB 0.962 20.006 19.000 0.074 0.000 1.178 376 A HN 1.458 nan 8.150 nan 0.000 0.490 377 F N -0.216 119.847 119.950 0.189 0.000 2.668 377 F HA 0.739 5.264 4.527 -0.004 0.000 0.309 377 F C -1.312 174.616 175.800 0.213 0.000 1.117 377 F CA -1.624 56.487 58.000 0.185 0.000 0.951 377 F CB 0.991 40.075 39.000 0.140 0.000 1.323 377 F HN 0.269 nan 8.300 nan 0.000 0.451 378 I N 2.762 123.638 120.570 0.511 0.000 2.354 378 I HA 0.268 4.436 4.170 -0.004 0.000 0.292 378 I C -0.585 175.819 176.117 0.478 0.000 0.989 378 I CA -0.285 61.266 61.300 0.418 0.000 1.188 378 I CB 1.014 39.249 38.000 0.392 0.000 1.342 378 I HN 0.793 nan 8.210 nan 0.000 0.457 379 H N 5.125 124.437 119.070 0.403 0.000 2.511 379 H HA 0.581 5.135 4.556 -0.004 0.000 0.328 379 H C -0.560 174.940 175.328 0.287 0.000 1.044 379 H CA -0.405 55.836 56.048 0.322 0.000 1.212 379 H CB 1.885 31.882 29.762 0.390 0.000 1.428 379 H HN 0.770 nan 8.280 nan 0.000 0.483 380 G N 2.986 111.621 108.800 -0.275 0.000 2.388 380 G HA2 0.464 4.422 3.960 -0.004 0.000 0.330 380 G HA3 0.464 4.422 3.960 -0.004 0.000 0.330 380 G C -0.379 174.395 174.900 -0.209 0.000 1.142 380 G CA -0.343 44.680 45.100 -0.127 0.000 0.908 380 G HN 0.695 nan 8.290 nan 0.000 0.473 381 T N -1.242 113.341 114.554 0.049 0.000 2.742 381 T HA 0.392 4.740 4.350 -0.004 0.000 0.282 381 T C 1.210 175.984 174.700 0.122 0.000 1.025 381 T CA -0.803 61.347 62.100 0.083 0.000 1.020 381 T CB 1.886 70.862 68.868 0.181 0.000 1.317 381 T HN 0.404 nan 8.240 nan 0.000 0.538 382 R N 0.050 120.624 120.500 0.123 0.000 2.193 382 R HA -0.050 4.288 4.340 -0.004 0.000 0.229 382 R C 1.578 177.971 176.300 0.156 0.000 1.110 382 R CA 1.291 57.475 56.100 0.139 0.000 0.988 382 R CB -0.097 30.273 30.300 0.117 0.000 0.871 382 R HN 0.596 nan 8.270 nan 0.000 0.458 383 E N -0.635 119.680 120.200 0.192 0.000 2.299 383 E HA 0.133 4.481 4.350 -0.004 0.000 0.193 383 E C 0.825 177.520 176.600 0.158 0.000 0.998 383 E CA 0.931 57.456 56.400 0.208 0.000 0.851 383 E CB 0.816 30.692 29.700 0.294 0.000 0.795 383 E HN 0.507 nan 8.360 nan 0.000 0.492 384 G N 0.415 109.305 108.800 0.150 0.000 2.339 384 G HA2 -0.009 3.948 3.960 -0.004 0.000 0.275 384 G HA3 -0.009 3.948 3.960 -0.004 0.000 0.275 384 G C -1.802 173.012 174.900 -0.143 0.000 1.323 384 G CA -0.807 44.251 45.100 -0.069 0.000 0.927 384 G HN -0.064 nan 8.290 nan 0.000 0.486 385 D N -0.007 120.180 120.400 -0.355 0.000 2.185 385 D HA 0.772 5.410 4.640 -0.004 0.000 0.247 385 D C -0.805 175.197 176.300 -0.497 0.000 1.027 385 D CA 0.208 54.078 54.000 -0.218 0.000 0.861 385 D CB 1.535 42.278 40.800 -0.096 0.000 1.202 385 D HN 0.199 nan 8.370 nan 0.000 0.453 386 F N 0.448 120.479 119.950 0.135 0.000 2.603 386 F HA 0.361 4.886 4.527 -0.004 0.000 0.317 386 F C -0.151 175.750 175.800 0.168 0.000 1.066 386 F CA -1.116 56.977 58.000 0.155 0.000 0.941 386 F CB 1.486 40.599 39.000 0.188 0.000 1.291 386 F HN -0.011 nan 8.300 nan 0.000 0.472 387 L N 1.588 123.005 121.223 0.324 0.000 2.325 387 L HA 0.870 5.208 4.340 -0.004 0.000 0.279 387 L C -0.276 176.701 176.870 0.178 0.000 1.054 387 L CA 0.118 55.078 54.840 0.199 0.000 0.804 387 L CB 0.930 43.066 42.059 0.129 0.000 1.200 387 L HN 0.777 nan 8.230 nan 0.000 0.436 388 G N 4.679 113.276 108.800 -0.337 0.000 2.695 388 G HA2 0.671 4.629 3.960 -0.004 0.000 0.290 388 G HA3 0.671 4.629 3.960 -0.004 0.000 0.290 388 G C -1.596 172.759 174.900 -0.908 0.000 1.410 388 G CA -0.518 44.112 45.100 -0.783 0.000 0.844 388 G HN 0.526 nan 8.290 nan 0.000 0.478 389 I N -0.016 120.268 120.570 -0.476 0.000 2.647 389 I HA 0.438 4.606 4.170 -0.004 0.000 0.295 389 I C -1.731 174.518 176.117 0.220 0.000 1.078 389 I CA -0.939 60.305 61.300 -0.093 0.000 1.048 389 I CB 2.760 40.774 38.000 0.022 0.000 1.239 389 I HN 0.526 nan 8.210 nan 0.000 0.421 390 Y N 4.713 125.138 120.300 0.209 0.000 2.386 390 Y HA 0.372 4.920 4.550 -0.004 0.000 0.334 390 Y C -1.256 174.730 175.900 0.144 0.000 1.002 390 Y CA -1.112 57.129 58.100 0.234 0.000 1.068 390 Y CB 1.486 40.160 38.460 0.357 0.000 1.203 390 Y HN 0.470 nan 8.280 nan 0.000 0.443 391 D N 5.417 125.491 120.400 -0.543 0.000 2.396 391 D HA 0.068 4.706 4.640 -0.004 0.000 0.225 391 D C 0.339 176.092 176.300 -0.911 0.000 1.121 391 D CA -0.297 53.350 54.000 -0.589 0.000 0.853 391 D CB 0.419 41.019 40.800 -0.335 0.000 1.043 391 D HN 0.688 nan 8.370 nan 0.000 0.500 392 Y N 2.868 122.741 120.300 -0.712 0.000 2.571 392 Y HA 0.085 4.633 4.550 -0.004 0.000 0.294 392 Y C 2.136 177.922 175.900 -0.191 0.000 1.141 392 Y CA 0.201 58.020 58.100 -0.468 0.000 1.308 392 Y CB -0.301 38.104 38.460 -0.092 0.000 1.002 392 Y HN 0.264 nan 8.280 nan 0.000 0.551 393 R N 1.203 121.539 120.500 -0.274 0.000 2.057 393 R HA -0.079 4.259 4.340 -0.004 0.000 0.224 393 R C 2.273 178.521 176.300 -0.086 0.000 1.136 393 R CA 1.932 57.956 56.100 -0.126 0.000 0.968 393 R CB -0.463 29.724 30.300 -0.188 0.000 0.863 393 R HN 0.494 nan 8.270 nan 0.000 0.433 394 T N -3.651 110.822 114.554 -0.135 0.000 2.978 394 T HA 0.176 4.524 4.350 -0.004 0.000 0.262 394 T C 1.420 176.093 174.700 -0.046 0.000 1.063 394 T CA 0.770 62.822 62.100 -0.079 0.000 1.140 394 T CB 0.315 69.131 68.868 -0.087 0.000 0.886 394 T HN 0.472 nan 8.240 nan 0.000 0.470 395 G N 2.195 110.940 108.800 -0.093 0.000 2.157 395 G HA2 -0.247 3.711 3.960 -0.004 0.000 0.239 395 G HA3 -0.247 3.711 3.960 -0.004 0.000 0.239 395 G C -0.050 174.926 174.900 0.126 0.000 0.982 395 G CA 0.114 45.247 45.100 0.054 0.000 0.650 395 G HN 1.006 nan 8.290 nan 0.000 0.527 396 K N -0.178 120.225 120.400 0.006 0.000 2.312 396 K HA 0.743 5.061 4.320 -0.004 0.000 0.287 396 K C 0.002 176.686 176.600 0.141 0.000 1.062 396 K CA 0.082 56.400 56.287 0.051 0.000 0.934 396 K CB 1.733 34.227 32.500 -0.011 0.000 1.027 396 K HN 0.889 nan 8.250 nan 0.000 0.478 397 A N 3.352 126.296 122.820 0.207 0.000 2.355 397 A HA 0.392 4.709 4.320 -0.004 0.000 0.317 397 A C -1.155 176.477 177.584 0.080 0.000 1.094 397 A CA -0.723 51.480 52.037 0.276 0.000 0.764 397 A CB 1.257 20.441 19.000 0.306 0.000 1.230 397 A HN 0.919 nan 8.150 nan 0.000 0.448 398 E N 1.644 121.847 120.200 0.006 0.000 2.293 398 E HA 0.564 4.911 4.350 -0.004 0.000 0.270 398 E C -1.338 175.077 176.600 -0.309 0.000 0.879 398 E CA -0.600 55.688 56.400 -0.186 0.000 0.756 398 E CB 1.504 31.025 29.700 -0.299 0.000 1.208 398 E HN 0.559 nan 8.360 nan 0.000 0.428 399 K N 2.867 123.065 120.400 -0.337 0.000 2.378 399 K HA 0.379 4.696 4.320 -0.004 0.000 0.252 399 K C -1.232 175.159 176.600 -0.348 0.000 0.931 399 K CA -0.655 55.459 56.287 -0.287 0.000 0.794 399 K CB 1.323 33.757 32.500 -0.110 0.000 1.181 399 K HN 0.290 nan 8.250 nan 0.000 0.425 400 F N 1.922 121.879 119.950 0.012 0.000 2.371 400 F HA 0.092 4.616 4.527 -0.004 0.000 0.329 400 F C 1.888 177.752 175.800 0.107 0.000 1.107 400 F CA -0.407 57.621 58.000 0.046 0.000 1.137 400 F CB 0.860 39.890 39.000 0.050 0.000 1.214 400 F HN 0.598 nan 8.300 nan 0.000 0.536 401 E N 0.184 120.550 120.200 0.277 0.000 2.478 401 E HA -0.040 4.307 4.350 -0.004 0.000 0.194 401 E C -0.342 176.512 176.600 0.424 0.000 1.045 401 E CA 0.377 56.915 56.400 0.231 0.000 0.868 401 E CB -0.328 29.441 29.700 0.114 0.000 0.885 401 E HN 0.510 nan 8.360 nan 0.000 0.505 402 E N 2.131 122.547 120.200 0.361 0.000 2.351 402 E HA 0.032 4.380 4.350 -0.004 0.000 0.266 402 E C -0.442 176.254 176.600 0.159 0.000 1.031 402 E CA -0.040 56.496 56.400 0.226 0.000 0.911 402 E CB 0.198 29.956 29.700 0.097 0.000 0.986 402 E HN 0.275 nan 8.360 nan 0.000 0.446 403 N N 3.703 122.406 118.700 0.005 0.000 2.420 403 N HA 0.033 4.771 4.740 -0.004 0.000 0.262 403 N C 0.582 175.909 175.510 -0.304 0.000 1.144 403 N CA -0.277 52.502 53.050 -0.452 0.000 0.952 403 N CB 0.404 38.757 38.487 -0.223 0.000 1.081 403 N HN 0.343 nan 8.380 nan 0.000 0.480 404 L N 3.298 124.301 121.223 -0.368 0.000 2.592 404 L HA 0.331 4.669 4.340 -0.004 0.000 0.227 404 L C 1.403 178.177 176.870 -0.159 0.000 1.127 404 L CA -0.018 54.706 54.840 -0.194 0.000 0.884 404 L CB -0.940 41.036 42.059 -0.138 0.000 1.065 404 L HN 0.864 nan 8.230 nan 0.000 0.457 405 G N 0.974 109.652 108.800 -0.202 0.000 2.499 405 G HA2 -0.248 3.710 3.960 -0.004 0.000 0.232 405 G HA3 -0.248 3.710 3.960 -0.004 0.000 0.232 405 G C -0.391 174.449 174.900 -0.100 0.000 1.251 405 G CA -0.574 44.451 45.100 -0.124 0.000 0.917 405 G HN 0.257 nan 8.290 nan 0.000 0.580 406 N N 0.766 119.456 118.700 -0.017 0.000 2.527 406 N HA 0.442 5.180 4.740 -0.004 0.000 0.236 406 N C 0.065 175.596 175.510 0.035 0.000 0.999 406 N CA -0.166 52.884 53.050 -0.000 0.000 0.935 406 N CB 1.615 40.180 38.487 0.129 0.000 1.132 406 N HN 0.556 nan 8.380 nan 0.000 0.511 407 V N 2.528 122.392 119.914 -0.083 0.000 2.583 407 V HA 0.209 4.327 4.120 -0.004 0.000 0.287 407 V C 0.553 176.534 176.094 -0.187 0.000 1.051 407 V CA 0.138 62.428 62.300 -0.018 0.000 1.010 407 V CB 0.308 32.143 31.823 0.021 0.000 0.988 407 V HN 0.536 nan 8.190 nan 0.000 0.478 408 F N 2.061 122.063 119.950 0.085 0.000 2.746 408 F HA 0.668 5.193 4.527 -0.004 0.000 0.320 408 F C 0.684 176.387 175.800 -0.162 0.000 1.097 408 F CA 0.363 58.418 58.000 0.091 0.000 1.195 408 F CB 0.679 39.746 39.000 0.112 0.000 1.056 408 F HN 0.560 nan 8.300 nan 0.000 0.562 409 A N 1.256 123.982 122.820 -0.157 0.000 2.577 409 A HA 0.738 5.056 4.320 -0.004 0.000 0.297 409 A C -1.465 176.082 177.584 -0.062 0.000 1.060 409 A CA -0.474 51.435 52.037 -0.213 0.000 0.697 409 A CB 1.862 20.884 19.000 0.038 0.000 1.281 409 A HN 0.008 nan 8.150 nan 0.000 0.402 410 M N 1.980 121.533 119.600 -0.078 0.000 2.365 410 M HA 0.642 5.120 4.480 -0.004 0.000 0.287 410 M C -0.838 175.582 176.300 0.200 0.000 1.154 410 M CA 0.039 55.413 55.300 0.123 0.000 0.941 410 M CB 1.915 34.518 32.600 0.005 0.000 1.704 410 M HN 1.466 nan 8.290 nan 0.000 0.479 411 G N 2.465 111.457 108.800 0.319 0.000 2.660 411 G HA2 0.732 4.690 3.960 -0.004 0.000 0.294 411 G HA3 0.732 4.690 3.960 -0.004 0.000 0.294 411 G C -2.086 172.908 174.900 0.156 0.000 1.369 411 G CA -0.472 44.792 45.100 0.274 0.000 0.912 411 G HN 0.578 nan 8.290 nan 0.000 0.479 412 V N 1.539 121.499 119.914 0.078 0.000 2.735 412 V HA 0.397 4.514 4.120 -0.004 0.000 0.310 412 V C -0.291 175.725 176.094 -0.129 0.000 1.061 412 V CA -0.988 61.288 62.300 -0.040 0.000 0.913 412 V CB 1.836 33.645 31.823 -0.022 0.000 1.005 412 V HN 0.971 nan 8.190 nan 0.000 0.428 413 D N 3.743 123.905 120.400 -0.396 0.000 2.368 413 D HA 0.014 4.651 4.640 -0.004 0.000 0.240 413 D C 0.875 177.038 176.300 -0.228 0.000 1.169 413 D CA -0.483 53.258 54.000 -0.431 0.000 0.906 413 D CB 1.432 41.633 40.800 -0.997 0.000 1.187 413 D HN 0.509 nan 8.370 nan 0.000 0.435 414 R N 1.219 121.641 120.500 -0.130 0.000 2.189 414 R HA -0.110 4.228 4.340 -0.004 0.000 0.223 414 R C 0.892 177.149 176.300 -0.071 0.000 1.092 414 R CA 1.134 57.196 56.100 -0.063 0.000 0.989 414 R CB -0.129 30.160 30.300 -0.018 0.000 0.876 414 R HN 0.535 nan 8.270 nan 0.000 0.457 415 N N -0.883 117.751 118.700 -0.110 0.000 2.336 415 N HA 0.106 4.843 4.740 -0.004 0.000 0.189 415 N C 0.295 175.752 175.510 -0.089 0.000 1.113 415 N CA 0.507 53.510 53.050 -0.079 0.000 0.858 415 N CB 1.129 39.580 38.487 -0.059 0.000 0.970 415 N HN 0.301 nan 8.380 nan 0.000 0.471 416 G N 1.207 109.928 108.800 -0.132 0.000 2.249 416 G HA2 -0.350 3.608 3.960 -0.004 0.000 0.273 416 G HA3 -0.350 3.608 3.960 -0.004 0.000 0.273 416 G C 0.813 175.660 174.900 -0.088 0.000 1.036 416 G CA 0.632 45.669 45.100 -0.106 0.000 0.824 416 G HN 0.366 nan 8.290 nan 0.000 0.504 417 K N -1.360 118.962 120.400 -0.130 0.000 2.308 417 K HA 0.386 4.703 4.320 -0.004 0.000 0.197 417 K C 0.681 177.331 176.600 0.084 0.000 1.049 417 K CA 1.032 57.319 56.287 0.000 0.000 0.991 417 K CB 0.346 32.898 32.500 0.088 0.000 0.836 417 K HN 0.727 nan 8.250 nan 0.000 0.500 418 F N -1.801 118.133 119.950 -0.028 0.000 2.668 418 F HA 0.704 5.228 4.527 -0.004 0.000 0.309 418 F C -1.444 174.333 175.800 -0.038 0.000 1.117 418 F CA -1.662 56.307 58.000 -0.052 0.000 0.951 418 F CB 0.943 39.908 39.000 -0.058 0.000 1.323 418 F HN -0.285 nan 8.300 nan 0.000 0.451 419 A N 1.244 124.169 122.820 0.175 0.000 2.330 419 A HA 0.871 5.188 4.320 -0.004 0.000 0.329 419 A C -1.545 176.134 177.584 0.159 0.000 1.135 419 A CA -0.966 51.128 52.037 0.095 0.000 0.817 419 A CB 1.688 20.706 19.000 0.031 0.000 1.269 419 A HN 0.848 nan 8.150 nan 0.000 0.469 420 V N 1.118 121.064 119.914 0.055 0.000 2.495 420 V HA 0.582 4.700 4.120 -0.004 0.000 0.298 420 V C -0.493 175.463 176.094 -0.231 0.000 1.031 420 V CA -0.376 61.809 62.300 -0.191 0.000 0.871 420 V CB 1.386 32.939 31.823 -0.451 0.000 0.988 420 V HN 0.688 nan 8.190 nan 0.000 0.432 421 V N 2.963 122.722 119.914 -0.260 0.000 2.962 421 V HA 0.928 5.046 4.120 -0.004 0.000 0.313 421 V C -0.109 175.924 176.094 -0.102 0.000 1.099 421 V CA -0.575 61.664 62.300 -0.102 0.000 0.971 421 V CB 2.198 33.986 31.823 -0.059 0.000 1.028 421 V HN 1.018 nan 8.190 nan 0.000 0.430 422 A N 3.583 126.442 122.820 0.064 0.000 2.374 422 A HA 0.829 5.147 4.320 -0.004 0.000 0.305 422 A C -0.535 177.145 177.584 0.160 0.000 1.053 422 A CA -0.731 51.376 52.037 0.117 0.000 0.726 422 A CB 1.078 20.235 19.000 0.261 0.000 1.229 422 A HN 0.986 nan 8.150 nan 0.000 0.431 423 N N 0.596 119.386 118.700 0.149 0.000 2.653 423 N HA 0.380 5.118 4.740 -0.004 0.000 0.294 423 N C -0.676 174.973 175.510 0.231 0.000 1.305 423 N CA -0.521 52.648 53.050 0.199 0.000 0.827 423 N CB 1.184 39.717 38.487 0.077 0.000 1.415 423 N HN 0.451 nan 8.380 nan 0.000 0.546 424 D N -0.578 119.954 120.400 0.221 0.000 2.352 424 D HA -0.036 4.602 4.640 -0.004 0.000 0.232 424 D C 0.936 177.101 176.300 -0.225 0.000 1.055 424 D CA 0.234 54.276 54.000 0.070 0.000 0.891 424 D CB -0.175 40.673 40.800 0.081 0.000 0.897 424 D HN 0.443 nan 8.370 nan 0.000 0.529 425 R N -0.719 119.691 120.500 -0.150 0.000 2.297 425 R HA 0.203 4.540 4.340 -0.004 0.000 0.197 425 R C 0.165 176.340 176.300 -0.207 0.000 0.943 425 R CA -0.052 55.887 56.100 -0.269 0.000 1.038 425 R CB -0.145 30.082 30.300 -0.121 0.000 0.957 425 R HN 0.131 nan 8.270 nan 0.000 0.484 426 F N -0.158 119.779 119.950 -0.022 0.000 2.844 426 F HA -0.251 4.273 4.527 -0.004 0.000 0.288 426 F C -0.463 175.327 175.800 -0.017 0.000 0.732 426 F CA -0.139 57.843 58.000 -0.031 0.000 1.378 426 F CB -1.446 37.522 39.000 -0.054 0.000 1.597 426 F HN 0.150 nan 8.300 nan 0.000 0.376 427 E N 1.335 121.617 120.200 0.136 0.000 2.214 427 E HA 0.691 5.039 4.350 -0.004 0.000 0.274 427 E C -0.299 176.287 176.600 -0.024 0.000 0.977 427 E CA -0.871 55.553 56.400 0.039 0.000 0.827 427 E CB 2.982 32.673 29.700 -0.015 0.000 1.130 427 E HN 0.323 nan 8.360 nan 0.000 0.394 428 I N 3.602 124.094 120.570 -0.130 0.000 2.474 428 I HA 0.478 4.645 4.170 -0.004 0.000 0.294 428 I C -0.936 174.990 176.117 -0.317 0.000 1.005 428 I CA -0.615 60.524 61.300 -0.268 0.000 1.113 428 I CB 0.695 38.416 38.000 -0.465 0.000 1.289 428 I HN 0.643 nan 8.210 nan 0.000 0.436 429 M N 4.858 124.265 119.600 -0.320 0.000 2.644 429 M HA 0.528 5.006 4.480 -0.004 0.000 0.273 429 M C -1.340 174.794 176.300 -0.276 0.000 1.253 429 M CA -0.612 54.513 55.300 -0.292 0.000 0.852 429 M CB 1.999 34.479 32.600 -0.200 0.000 1.708 429 M HN 0.511 nan 8.290 nan 0.000 0.471 430 T N -0.420 113.981 114.554 -0.254 0.000 2.945 430 T HA 0.800 5.148 4.350 -0.004 0.000 0.286 430 T C -0.643 173.974 174.700 -0.138 0.000 1.025 430 T CA -0.745 61.244 62.100 -0.186 0.000 1.039 430 T CB 1.895 70.579 68.868 -0.308 0.000 1.068 430 T HN 0.604 nan 8.240 nan 0.000 0.497 431 V N 2.128 121.999 119.914 -0.072 0.000 2.524 431 V HA 0.307 4.424 4.120 -0.004 0.000 0.297 431 V C -0.236 175.791 176.094 -0.111 0.000 1.035 431 V CA -1.037 61.187 62.300 -0.127 0.000 0.867 431 V CB 1.571 33.299 31.823 -0.160 0.000 1.004 431 V HN 1.069 nan 8.190 nan 0.000 0.426 432 D N 3.699 124.013 120.400 -0.143 0.000 2.487 432 D HA 0.069 4.707 4.640 -0.004 0.000 0.243 432 D C 0.866 177.030 176.300 -0.226 0.000 1.154 432 D CA 0.180 54.119 54.000 -0.101 0.000 0.876 432 D CB 1.345 42.090 40.800 -0.092 0.000 1.161 432 D HN 0.505 nan 8.370 nan 0.000 0.478 433 L N 3.197 124.367 121.223 -0.088 0.000 2.599 433 L HA 0.021 4.359 4.340 -0.004 0.000 0.230 433 L C 1.957 178.890 176.870 0.106 0.000 1.141 433 L CA 0.295 55.100 54.840 -0.058 0.000 0.877 433 L CB -0.011 42.067 42.059 0.032 0.000 1.009 433 L HN 0.517 nan 8.230 nan 0.000 0.447 434 E N -0.333 119.899 120.200 0.054 0.000 2.256 434 E HA -0.080 4.267 4.350 -0.004 0.000 0.198 434 E C 1.858 178.568 176.600 0.184 0.000 0.908 434 E CA 0.990 57.473 56.400 0.138 0.000 0.915 434 E CB 0.481 30.225 29.700 0.074 0.000 0.890 434 E HN 0.330 nan 8.360 nan 0.000 0.484 435 T N -3.488 111.099 114.554 0.056 0.000 3.022 435 T HA 0.268 4.615 4.350 -0.004 0.000 0.250 435 T C 1.463 176.155 174.700 -0.014 0.000 1.060 435 T CA 0.631 62.771 62.100 0.067 0.000 1.013 435 T CB 0.824 69.702 68.868 0.017 0.000 0.982 435 T HN 0.281 nan 8.240 nan 0.000 0.508 436 G N 1.910 110.460 108.800 -0.416 0.000 2.189 436 G HA2 -0.325 3.633 3.960 -0.004 0.000 0.267 436 G HA3 -0.325 3.633 3.960 -0.004 0.000 0.267 436 G C 0.014 174.722 174.900 -0.319 0.000 0.975 436 G CA 0.466 45.076 45.100 -0.817 0.000 0.644 436 G HN 0.863 nan 8.290 nan 0.000 0.537 437 K N 1.815 122.105 120.400 -0.184 0.000 2.378 437 K HA 0.348 4.666 4.320 -0.004 0.000 0.288 437 K C -1.996 174.527 176.600 -0.128 0.000 1.057 437 K CA -1.289 54.933 56.287 -0.109 0.000 0.971 437 K CB 0.914 33.373 32.500 -0.069 0.000 0.975 437 K HN 0.195 nan 8.250 nan 0.000 0.475 438 P HA 0.193 nan 4.420 nan 0.000 0.286 438 P C -1.236 175.998 177.300 -0.112 0.000 1.261 438 P CA -0.537 62.492 63.100 -0.118 0.000 0.821 438 P CB 1.560 33.199 31.700 -0.103 0.000 1.013 439 T N 1.278 115.749 114.554 -0.138 0.000 2.965 439 T HA 0.211 4.559 4.350 -0.004 0.000 0.306 439 T C -0.108 174.479 174.700 -0.188 0.000 0.991 439 T CA -0.406 61.608 62.100 -0.142 0.000 1.001 439 T CB 0.809 69.593 68.868 -0.140 0.000 0.984 439 T HN 0.075 nan 8.240 nan 0.000 0.446 440 V N 5.221 125.037 119.914 -0.162 0.000 2.529 440 V HA 0.147 4.265 4.120 -0.004 0.000 0.292 440 V C 1.337 177.279 176.094 -0.255 0.000 1.028 440 V CA 0.315 62.505 62.300 -0.184 0.000 1.074 440 V CB 0.183 31.934 31.823 -0.119 0.000 0.958 440 V HN 0.859 nan 8.190 nan 0.000 0.481 441 I N 2.750 123.099 120.570 -0.369 0.000 2.385 441 I HA 0.157 4.325 4.170 -0.004 0.000 0.244 441 I C 1.054 176.990 176.117 -0.301 0.000 1.089 441 I CA 0.922 61.897 61.300 -0.542 0.000 1.410 441 I CB 0.302 37.816 38.000 -0.811 0.000 1.117 441 I HN 0.699 nan 8.210 nan 0.000 0.429 442 E N -0.161 119.911 120.200 -0.213 0.000 2.407 442 E HA 0.401 4.749 4.350 -0.004 0.000 0.279 442 E C -1.084 175.557 176.600 0.067 0.000 1.012 442 E CA -0.756 55.621 56.400 -0.039 0.000 0.800 442 E CB 2.160 31.877 29.700 0.028 0.000 1.276 442 E HN -0.054 nan 8.360 nan 0.000 0.452 443 R N 1.788 122.405 120.500 0.195 0.000 2.532 443 R HA 0.390 4.727 4.340 -0.004 0.000 0.297 443 R C -1.277 175.238 176.300 0.359 0.000 0.984 443 R CA -0.411 55.824 56.100 0.226 0.000 0.884 443 R CB 1.934 32.308 30.300 0.124 0.000 1.182 443 R HN 0.439 nan 8.270 nan 0.000 0.442 444 S N 2.117 117.961 115.700 0.240 0.000 2.610 444 S HA 0.223 4.691 4.470 -0.004 0.000 0.273 444 S C 0.795 175.451 174.600 0.094 0.000 1.274 444 S CA -0.683 57.462 58.200 -0.091 0.000 1.023 444 S CB 0.786 63.670 63.200 -0.526 0.000 0.962 444 S HN 0.781 nan 8.310 nan 0.000 0.523 445 R N 1.550 122.058 120.500 0.014 0.000 2.432 445 R HA 0.369 4.707 4.340 -0.004 0.000 0.260 445 R C 0.067 176.411 176.300 0.074 0.000 0.935 445 R CA -0.282 55.909 56.100 0.152 0.000 1.080 445 R CB 0.109 30.463 30.300 0.090 0.000 1.155 445 R HN 0.444 nan 8.270 nan 0.000 0.531 446 E N 0.975 121.024 120.200 -0.251 0.000 2.288 446 E HA 0.334 4.681 4.350 -0.004 0.000 0.200 446 E C 0.360 176.445 176.600 -0.860 0.000 0.880 446 E CA 0.789 56.964 56.400 -0.375 0.000 0.971 446 E CB 1.001 30.510 29.700 -0.317 0.000 0.954 446 E HN 0.332 nan 8.360 nan 0.000 0.489 447 A N 0.258 122.269 122.820 -1.349 0.000 2.564 447 A HA 0.608 4.926 4.320 -0.004 0.000 0.291 447 A C -0.821 176.067 177.584 -1.160 0.000 1.102 447 A CA -0.732 50.443 52.037 -1.437 0.000 0.660 447 A CB 0.559 19.212 19.000 -0.579 0.000 1.283 447 A HN 0.015 nan 8.150 nan 0.000 0.430 448 M N 0.624 119.913 119.600 -0.518 0.000 2.250 448 M HA 0.234 4.712 4.480 -0.004 0.000 0.325 448 M C -0.275 175.987 176.300 -0.064 0.000 1.084 448 M CA 0.790 56.048 55.300 -0.070 0.000 1.161 448 M CB 0.058 32.691 32.600 0.055 0.000 1.481 448 M HN 0.464 nan 8.290 nan 0.000 0.449 449 I N 2.326 122.931 120.570 0.057 0.000 2.373 449 I HA 0.070 4.237 4.170 -0.004 0.000 0.287 449 I C 1.140 177.406 176.117 0.248 0.000 1.124 449 I CA -0.133 61.244 61.300 0.128 0.000 1.273 449 I CB -0.334 37.741 38.000 0.124 0.000 1.578 449 I HN 0.817 nan 8.210 nan 0.000 0.572 450 T N -2.372 112.285 114.554 0.171 0.000 3.065 450 T HA 0.020 4.368 4.350 -0.004 0.000 0.252 450 T C 0.648 175.321 174.700 -0.046 0.000 1.099 450 T CA 0.003 62.182 62.100 0.132 0.000 1.063 450 T CB 0.069 68.976 68.868 0.065 0.000 0.948 450 T HN 0.244 nan 8.240 nan 0.000 0.506 451 D N 1.541 121.980 120.400 0.064 0.000 2.456 451 D HA 0.424 5.062 4.640 -0.004 0.000 0.219 451 D C -0.731 175.676 176.300 0.177 0.000 1.126 451 D CA -0.989 53.022 54.000 0.017 0.000 0.890 451 D CB -0.153 40.704 40.800 0.095 0.000 1.025 451 D HN 0.504 nan 8.370 nan 0.000 0.511 452 F N 0.026 120.066 119.950 0.151 0.000 2.662 452 F HA 0.714 5.239 4.527 -0.003 0.000 0.312 452 F C -0.639 175.272 175.800 0.185 0.000 1.113 452 F CA -1.005 57.119 58.000 0.207 0.000 0.951 452 F CB 1.883 41.010 39.000 0.212 0.000 1.344 452 F HN 0.001 nan 8.300 nan 0.000 0.462 453 T N 1.305 116.195 114.554 0.559 0.000 2.868 453 T HA 0.711 5.059 4.350 -0.004 0.000 0.306 453 T C -1.695 173.338 174.700 0.555 0.000 1.224 453 T CA -0.641 61.732 62.100 0.455 0.000 1.012 453 T CB 1.559 70.608 68.868 0.301 0.000 1.221 453 T HN 0.679 nan 8.240 nan 0.000 0.499 454 I N 3.216 124.064 120.570 0.463 0.000 2.465 454 I HA 0.382 4.550 4.170 -0.004 0.000 0.291 454 I C 0.716 177.011 176.117 0.296 0.000 1.014 454 I CA -1.001 60.533 61.300 0.391 0.000 1.093 454 I CB 2.183 40.342 38.000 0.264 0.000 1.267 454 I HN 0.743 nan 8.210 nan 0.000 0.431 455 S N 2.348 118.080 115.700 0.054 0.000 2.573 455 S HA 0.037 4.505 4.470 -0.004 0.000 0.277 455 S C 0.518 175.114 174.600 -0.007 0.000 1.346 455 S CA -0.415 57.667 58.200 -0.196 0.000 1.034 455 S CB 0.955 63.792 63.200 -0.604 0.000 0.879 455 S HN 0.591 nan 8.310 nan 0.000 0.528 456 D N 1.532 121.956 120.400 0.040 0.000 2.218 456 D HA -0.112 4.526 4.640 -0.004 0.000 0.204 456 D C 1.426 177.734 176.300 0.015 0.000 0.976 456 D CA 1.560 55.586 54.000 0.045 0.000 0.853 456 D CB -0.401 40.441 40.800 0.070 0.000 0.939 456 D HN 0.851 nan 8.370 nan 0.000 0.481 457 N N -0.788 117.913 118.700 0.001 0.000 2.370 457 N HA -0.006 4.732 4.740 -0.004 0.000 0.198 457 N C -0.139 175.347 175.510 -0.040 0.000 1.156 457 N CA 0.161 53.205 53.050 -0.010 0.000 0.839 457 N CB 0.204 38.699 38.487 0.012 0.000 0.989 457 N HN -0.240 nan 8.380 nan 0.000 0.468 458 S N -1.133 114.551 115.700 -0.027 0.000 3.358 458 S HA -0.274 4.194 4.470 -0.004 0.000 0.309 458 S C 1.017 175.631 174.600 0.022 0.000 1.247 458 S CA 1.194 59.429 58.200 0.058 0.000 0.961 458 S CB -1.446 61.804 63.200 0.083 0.000 1.074 458 S HN 0.775 nan 8.310 nan 0.000 0.625 459 R N -0.207 120.140 120.500 -0.255 0.000 2.156 459 R HA 0.278 4.616 4.340 -0.004 0.000 0.207 459 R C -0.061 175.764 176.300 -0.792 0.000 1.040 459 R CA 0.893 56.619 56.100 -0.625 0.000 1.013 459 R CB 0.293 29.976 30.300 -1.029 0.000 0.931 459 R HN 0.382 nan 8.270 nan 0.000 0.465 460 F N 0.150 119.981 119.950 -0.198 0.000 2.561 460 F HA 0.512 5.037 4.527 -0.004 0.000 0.321 460 F C -0.317 175.549 175.800 0.109 0.000 1.065 460 F CA -1.158 56.769 58.000 -0.122 0.000 0.934 460 F CB 1.761 40.593 39.000 -0.280 0.000 1.215 460 F HN -0.249 nan 8.300 nan 0.000 0.471 461 I N 2.161 123.048 120.570 0.528 0.000 2.439 461 I HA 0.573 4.741 4.170 -0.004 0.000 0.285 461 I C -0.732 175.790 176.117 0.675 0.000 1.021 461 I CA -0.752 60.898 61.300 0.583 0.000 1.091 461 I CB 1.645 39.922 38.000 0.462 0.000 1.242 461 I HN 0.717 nan 8.210 nan 0.000 0.439 462 A N 6.897 130.107 122.820 0.650 0.000 2.317 462 A HA 0.884 5.202 4.320 -0.004 0.000 0.327 462 A C -1.221 176.607 177.584 0.405 0.000 1.178 462 A CA -0.315 51.935 52.037 0.356 0.000 0.817 462 A CB 0.767 19.802 19.000 0.058 0.000 1.189 462 A HN 0.710 nan 8.150 nan 0.000 0.489 463 Y N -0.790 119.632 120.300 0.203 0.000 2.552 463 Y HA 0.675 5.223 4.550 -0.004 0.000 0.337 463 Y C 0.181 176.151 175.900 0.116 0.000 1.094 463 Y CA -0.984 57.240 58.100 0.207 0.000 1.028 463 Y CB 0.751 39.373 38.460 0.269 0.000 1.321 463 Y HN 0.831 nan 8.280 nan 0.000 0.456 464 G N 2.014 110.935 108.800 0.202 0.000 2.358 464 G HA2 0.346 4.303 3.960 -0.004 0.000 0.273 464 G HA3 0.346 4.303 3.960 -0.004 0.000 0.273 464 G C -1.748 173.231 174.900 0.133 0.000 1.215 464 G CA -0.311 44.820 45.100 0.051 0.000 0.910 464 G HN 0.683 nan 8.290 nan 0.000 0.467 465 F N 6.435 126.264 119.950 -0.202 0.000 2.332 465 F HA 0.436 4.961 4.527 -0.004 0.000 0.368 465 F C -1.877 173.804 175.800 -0.198 0.000 1.110 465 F CA -2.848 55.033 58.000 -0.199 0.000 1.087 465 F CB 2.055 40.717 39.000 -0.564 0.000 1.235 465 F HN 0.270 nan 8.300 nan 0.000 0.470 466 P HA 0.273 nan 4.420 nan 0.000 0.271 466 P C -1.423 175.498 177.300 -0.632 0.000 1.216 466 P CA -0.007 62.796 63.100 -0.494 0.000 0.776 466 P CB 1.603 33.053 31.700 -0.418 0.000 0.881 467 L N -0.066 120.972 121.223 -0.309 0.000 2.671 467 L HA 0.737 5.075 4.340 -0.004 0.000 0.259 467 L C -1.239 175.593 176.870 -0.063 0.000 1.021 467 L CA -0.783 53.952 54.840 -0.175 0.000 0.871 467 L CB 1.924 43.975 42.059 -0.013 0.000 1.472 467 L HN 0.133 nan 8.230 nan 0.000 0.410 468 K N -0.024 120.365 120.400 -0.020 0.000 2.469 468 K HA 0.323 4.641 4.320 -0.004 0.000 0.254 468 K C -0.008 176.620 176.600 0.047 0.000 0.939 468 K CA -0.564 55.737 56.287 0.023 0.000 0.812 468 K CB 1.966 34.460 32.500 -0.010 0.000 1.301 468 K HN 0.971 nan 8.250 nan 0.000 0.433 469 H N 0.802 119.881 119.070 0.016 0.000 2.363 469 H HA 0.035 4.589 4.556 -0.004 0.000 0.301 469 H C 0.164 175.501 175.328 0.015 0.000 1.074 469 H CA 1.179 57.238 56.048 0.017 0.000 1.354 469 H CB 0.510 30.282 29.762 0.016 0.000 1.397 469 H HN 0.591 nan 8.280 nan 0.000 0.516 470 G N -0.110 108.190 108.800 -0.833 0.000 2.533 470 G HA2 0.213 4.171 3.960 -0.004 0.000 0.304 470 G HA3 0.213 4.171 3.960 -0.004 0.000 0.304 470 G C 0.336 175.083 174.900 -0.255 0.000 1.263 470 G CA -0.045 44.634 45.100 -0.701 0.000 0.964 470 G HN 0.342 nan 8.290 nan 0.000 0.479 471 E N -0.499 119.596 120.200 -0.174 0.000 2.118 471 E HA -0.182 4.166 4.350 -0.004 0.000 0.195 471 E C 1.715 178.272 176.600 -0.072 0.000 0.992 471 E CA 1.853 58.194 56.400 -0.098 0.000 0.804 471 E CB 0.009 29.659 29.700 -0.084 0.000 0.741 471 E HN 0.450 nan 8.360 nan 0.000 0.458 472 T N -0.606 113.909 114.554 -0.066 0.000 3.251 472 T HA 0.150 4.498 4.350 -0.004 0.000 0.259 472 T C -0.355 174.349 174.700 0.006 0.000 0.998 472 T CA -0.583 61.496 62.100 -0.035 0.000 0.905 472 T CB -0.028 68.820 68.868 -0.033 0.000 1.067 472 T HN -0.081 nan 8.240 nan 0.000 0.569 473 D N 1.527 121.941 120.400 0.023 0.000 2.382 473 D HA 0.362 5.000 4.640 -0.004 0.000 0.245 473 D C 1.502 177.826 176.300 0.040 0.000 1.120 473 D CA 0.015 54.071 54.000 0.092 0.000 0.890 473 D CB 1.113 42.005 40.800 0.154 0.000 1.201 473 D HN 0.317 nan 8.370 nan 0.000 0.433 474 G N 0.881 109.714 108.800 0.055 0.000 2.511 474 G HA2 -0.095 3.863 3.960 -0.004 0.000 0.217 474 G HA3 -0.095 3.863 3.960 -0.004 0.000 0.217 474 G C -0.104 174.606 174.900 -0.317 0.000 1.133 474 G CA 0.534 45.566 45.100 -0.113 0.000 0.792 474 G HN 0.377 nan 8.290 nan 0.000 0.539 475 Y N -0.842 119.466 120.300 0.013 0.000 2.409 475 Y HA 0.526 5.074 4.550 -0.004 0.000 0.343 475 Y C -0.380 175.518 175.900 -0.004 0.000 0.973 475 Y CA -1.031 57.069 58.100 -0.000 0.000 1.064 475 Y CB 2.475 40.939 38.460 0.006 0.000 1.207 475 Y HN -0.203 nan 8.280 nan 0.000 0.452 476 V N 5.369 125.348 119.914 0.109 0.000 2.383 476 V HA 0.266 4.384 4.120 -0.004 0.000 0.275 476 V C 0.106 176.248 176.094 0.080 0.000 1.036 476 V CA -0.690 61.633 62.300 0.039 0.000 0.889 476 V CB 0.579 32.377 31.823 -0.042 0.000 0.985 476 V HN 0.707 nan 8.190 nan 0.000 0.459 477 M N 3.875 123.504 119.600 0.049 0.000 2.267 477 M HA 0.486 4.964 4.480 -0.004 0.000 0.303 477 M C -0.235 176.047 176.300 -0.030 0.000 1.164 477 M CA -0.121 55.206 55.300 0.045 0.000 1.060 477 M CB 0.806 33.422 32.600 0.028 0.000 1.455 477 M HN 0.713 nan 8.290 nan 0.000 0.483 478 Q N 0.406 120.162 119.800 -0.073 0.000 2.275 478 Q HA 0.662 5.000 4.340 -0.004 0.000 0.258 478 Q C -2.003 173.897 176.000 -0.168 0.000 0.960 478 Q CA -0.400 55.290 55.803 -0.188 0.000 0.801 478 Q CB 2.018 30.508 28.738 -0.414 0.000 1.302 478 Q HN 0.855 nan 8.270 nan 0.000 0.433 479 A N 4.203 126.933 122.820 -0.151 0.000 2.337 479 A HA 0.692 5.010 4.320 -0.004 0.000 0.331 479 A C -0.727 176.713 177.584 -0.240 0.000 1.137 479 A CA -0.674 51.262 52.037 -0.168 0.000 0.807 479 A CB 0.895 19.834 19.000 -0.102 0.000 1.250 479 A HN 0.699 nan 8.150 nan 0.000 0.468 480 I N 2.516 122.931 120.570 -0.259 0.000 2.371 480 I HA 0.261 4.429 4.170 -0.004 0.000 0.290 480 I C -0.225 175.789 176.117 -0.172 0.000 1.028 480 I CA 0.098 61.225 61.300 -0.289 0.000 1.345 480 I CB 0.220 37.962 38.000 -0.430 0.000 1.407 480 I HN 0.521 nan 8.210 nan 0.000 0.501 481 H N 4.697 123.460 119.070 -0.511 0.000 2.569 481 H HA 0.629 5.183 4.556 -0.004 0.000 0.357 481 H C -0.674 174.319 175.328 -0.558 0.000 1.153 481 H CA -0.788 54.910 56.048 -0.583 0.000 1.193 481 H CB 2.166 31.425 29.762 -0.839 0.000 1.602 481 H HN 0.184 nan 8.280 nan 0.000 0.523 482 V N 3.596 123.484 119.914 -0.043 0.000 2.487 482 V HA 0.128 4.246 4.120 -0.004 0.000 0.298 482 V C -0.977 175.349 176.094 0.387 0.000 1.028 482 V CA -0.921 61.484 62.300 0.174 0.000 0.860 482 V CB 1.478 33.394 31.823 0.154 0.000 0.991 482 V HN 0.629 nan 8.190 nan 0.000 0.427 483 Y N 3.591 124.111 120.300 0.367 0.000 2.328 483 Y HA 0.519 5.067 4.550 -0.004 0.000 0.337 483 Y C -0.056 176.026 175.900 0.303 0.000 1.008 483 Y CA -0.906 57.387 58.100 0.322 0.000 1.129 483 Y CB 1.276 39.909 38.460 0.289 0.000 1.185 483 Y HN 0.694 nan 8.280 nan 0.000 0.476 484 D N 6.718 126.987 120.400 -0.219 0.000 2.359 484 D HA 0.110 4.748 4.640 -0.004 0.000 0.230 484 D C 0.910 176.804 176.300 -0.676 0.000 1.118 484 D CA -0.182 53.676 54.000 -0.236 0.000 0.844 484 D CB 0.965 41.798 40.800 0.056 0.000 1.059 484 D HN 0.681 nan 8.370 nan 0.000 0.493 485 M N 1.838 121.093 119.600 -0.574 0.000 2.202 485 M HA -0.128 4.350 4.480 -0.004 0.000 0.262 485 M C 0.326 176.428 176.300 -0.331 0.000 1.063 485 M CA 1.219 56.246 55.300 -0.454 0.000 1.097 485 M CB -0.385 32.027 32.600 -0.314 0.000 1.382 485 M HN 0.402 nan 8.290 nan 0.000 0.413 486 E N 0.088 120.108 120.200 -0.301 0.000 1.963 486 E HA 0.365 4.713 4.350 -0.004 0.000 0.274 486 E C 0.865 177.383 176.600 -0.136 0.000 1.061 486 E CA 0.212 56.501 56.400 -0.186 0.000 0.847 486 E CB 0.164 29.767 29.700 -0.162 0.000 1.083 486 E HN 0.535 nan 8.360 nan 0.000 0.402 487 G N 3.681 112.411 108.800 -0.116 0.000 2.278 487 G HA2 -0.318 3.640 3.960 -0.004 0.000 0.210 487 G HA3 -0.318 3.640 3.960 -0.004 0.000 0.210 487 G C 0.536 175.377 174.900 -0.098 0.000 1.000 487 G CA -0.277 44.781 45.100 -0.070 0.000 0.635 487 G HN 0.565 nan 8.290 nan 0.000 0.495 488 R N 0.083 120.452 120.500 -0.217 0.000 3.333 488 R HA -0.183 4.155 4.340 -0.004 0.000 0.256 488 R C 0.391 176.642 176.300 -0.083 0.000 1.010 488 R CA 1.700 57.663 56.100 -0.227 0.000 0.680 488 R CB -1.675 28.640 30.300 0.023 0.000 1.102 488 R HN 0.854 nan 8.270 nan 0.000 0.440 489 K N -0.000 120.299 120.400 -0.168 0.000 2.267 489 K HA 0.633 4.951 4.320 -0.004 0.000 0.246 489 K C -0.277 176.249 176.600 -0.123 0.000 0.954 489 K CA -0.943 55.258 56.287 -0.142 0.000 0.824 489 K CB 2.079 34.433 32.500 -0.244 0.000 1.167 489 K HN -0.004 nan 8.250 nan 0.000 0.431 490 I N 2.127 122.562 120.570 -0.224 0.000 2.359 490 I HA 0.358 4.525 4.170 -0.004 0.000 0.294 490 I C -0.952 174.854 176.117 -0.517 0.000 0.987 490 I CA -0.872 60.344 61.300 -0.139 0.000 1.225 490 I CB 0.707 38.646 38.000 -0.103 0.000 1.366 490 I HN 0.456 nan 8.210 nan 0.000 0.466 491 F N 3.744 123.624 119.950 -0.116 0.000 2.532 491 F HA 0.637 5.161 4.527 -0.004 0.000 0.321 491 F C 0.359 176.036 175.800 -0.204 0.000 1.089 491 F CA -0.854 57.066 58.000 -0.133 0.000 0.926 491 F CB 1.728 40.690 39.000 -0.063 0.000 1.168 491 F HN 0.371 nan 8.300 nan 0.000 0.459 492 A N 1.244 124.065 122.820 0.002 0.000 2.309 492 A HA 0.627 4.944 4.320 -0.004 0.000 0.290 492 A C 0.652 178.317 177.584 0.135 0.000 1.206 492 A CA 0.183 52.216 52.037 -0.007 0.000 0.850 492 A CB 0.371 19.339 19.000 -0.054 0.000 1.118 492 A HN 1.000 nan 8.150 nan 0.000 0.523 493 A N 2.300 125.144 122.820 0.040 0.000 2.095 493 A HA 0.394 4.712 4.320 -0.004 0.000 0.212 493 A C 1.190 178.747 177.584 -0.044 0.000 1.162 493 A CA 1.525 53.547 52.037 -0.025 0.000 0.753 493 A CB 0.025 18.919 19.000 -0.177 0.000 0.840 493 A HN 0.805 nan 8.150 nan 0.000 0.468 494 T N -0.906 113.588 114.554 -0.100 0.000 2.883 494 T HA 0.499 4.847 4.350 -0.004 0.000 0.296 494 T C 0.071 174.660 174.700 -0.184 0.000 1.117 494 T CA 0.157 62.171 62.100 -0.143 0.000 1.006 494 T CB 1.280 69.966 68.868 -0.302 0.000 1.191 494 T HN 0.404 nan 8.240 nan 0.000 0.508 495 T N 0.615 115.048 114.554 -0.201 0.000 2.766 495 T HA 0.345 4.693 4.350 -0.004 0.000 0.295 495 T C 0.584 175.197 174.700 -0.146 0.000 1.024 495 T CA -0.412 61.539 62.100 -0.248 0.000 1.018 495 T CB 0.364 69.121 68.868 -0.185 0.000 1.002 495 T HN 0.678 nan 8.240 nan 0.000 0.532 496 E N 0.138 120.270 120.200 -0.114 0.000 2.370 496 E HA 0.131 4.479 4.350 -0.004 0.000 0.194 496 E C 0.569 177.146 176.600 -0.038 0.000 1.057 496 E CA -0.128 56.239 56.400 -0.054 0.000 1.011 496 E CB -0.354 29.337 29.700 -0.016 0.000 1.132 496 E HN 0.645 nan 8.360 nan 0.000 0.450 497 N N 0.174 118.843 118.700 -0.051 0.000 2.373 497 N HA -0.050 4.688 4.740 -0.004 0.000 0.181 497 N C 0.815 176.308 175.510 -0.029 0.000 1.082 497 N CA 0.405 53.430 53.050 -0.041 0.000 0.885 497 N CB 0.531 38.987 38.487 -0.052 0.000 0.977 497 N HN 0.091 nan 8.380 nan 0.000 0.462 498 S N -1.157 114.539 115.700 -0.007 0.000 4.185 498 S HA 0.172 4.640 4.470 -0.004 0.000 0.278 498 S C -1.352 173.319 174.600 0.119 0.000 1.080 498 S CA -0.772 57.453 58.200 0.042 0.000 1.356 498 S CB 1.045 64.272 63.200 0.045 0.000 1.483 498 S HN 0.057 nan 8.310 nan 0.000 0.715 499 H N 1.717 120.846 119.070 0.098 0.000 2.860 499 H HA 0.501 5.055 4.556 -0.003 0.000 0.312 499 H C -1.739 173.754 175.328 0.275 0.000 0.995 499 H CA -0.307 55.835 56.048 0.157 0.000 1.311 499 H CB 0.753 30.625 29.762 0.183 0.000 1.478 499 H HN 0.565 nan 8.280 nan 0.000 0.508 500 D N 5.601 126.016 120.400 0.025 0.000 2.192 500 D HA 0.231 4.869 4.640 -0.004 0.000 0.246 500 D C -0.193 176.182 176.300 0.126 0.000 1.042 500 D CA -0.066 54.003 54.000 0.115 0.000 0.847 500 D CB 2.105 42.844 40.800 -0.101 0.000 1.186 500 D HN 0.585 nan 8.370 nan 0.000 0.461 501 Y N -2.059 118.242 120.300 0.001 0.000 2.900 501 Y HA 0.547 5.095 4.550 -0.004 0.000 0.318 501 Y C -0.023 175.926 175.900 0.082 0.000 1.457 501 Y CA -1.487 56.617 58.100 0.007 0.000 1.082 501 Y CB 0.483 38.985 38.460 0.070 0.000 1.419 501 Y HN 0.368 nan 8.280 nan 0.000 0.459 502 A N 0.260 123.143 122.820 0.105 0.000 2.640 502 A HA -0.139 4.179 4.320 -0.004 0.000 0.300 502 A C -2.552 175.033 177.584 0.001 0.000 1.499 502 A CA 0.367 52.419 52.037 0.024 0.000 0.759 502 A CB -2.564 16.409 19.000 -0.046 0.000 1.048 502 A HN 0.564 nan 8.150 nan 0.000 0.450 503 P HA 0.438 nan 4.420 nan 0.000 0.269 503 P C -0.234 177.044 177.300 -0.036 0.000 1.209 503 P CA 0.847 63.933 63.100 -0.023 0.000 0.776 503 P CB 1.257 32.906 31.700 -0.084 0.000 0.876 504 A N 3.126 125.901 122.820 -0.076 0.000 2.456 504 A HA 0.593 4.911 4.320 -0.004 0.000 0.288 504 A C -0.986 176.590 177.584 -0.014 0.000 1.042 504 A CA -0.566 51.462 52.037 -0.015 0.000 0.738 504 A CB 0.500 19.516 19.000 0.027 0.000 1.266 504 A HN 0.304 nan 8.150 nan 0.000 0.407 505 F N 1.751 121.811 119.950 0.183 0.000 2.371 505 F HA 0.405 4.930 4.527 -0.003 0.000 0.329 505 F C 0.990 176.900 175.800 0.184 0.000 1.107 505 F CA 0.028 58.150 58.000 0.204 0.000 1.137 505 F CB 1.078 40.184 39.000 0.176 0.000 1.214 505 F HN 0.714 nan 8.300 nan 0.000 0.536 506 D N 1.010 121.666 120.400 0.427 0.000 2.354 506 D HA 0.285 4.922 4.640 -0.004 0.000 0.247 506 D C 0.883 177.318 176.300 0.225 0.000 1.138 506 D CA -0.339 53.818 54.000 0.261 0.000 0.958 506 D CB 0.540 41.520 40.800 0.300 0.000 1.144 506 D HN 0.546 nan 8.370 nan 0.000 0.458 507 A N 0.640 123.547 122.820 0.145 0.000 1.917 507 A HA -0.237 4.081 4.320 -0.004 0.000 0.219 507 A C 1.429 179.088 177.584 0.126 0.000 1.182 507 A CA 1.789 53.897 52.037 0.120 0.000 0.633 507 A CB -0.661 18.388 19.000 0.082 0.000 0.819 507 A HN 0.581 nan 8.150 nan 0.000 0.448 508 D N -0.305 120.176 120.400 0.136 0.000 2.349 508 D HA 0.162 4.800 4.640 -0.004 0.000 0.224 508 D C 0.403 176.808 176.300 0.175 0.000 1.029 508 D CA 0.861 54.939 54.000 0.130 0.000 0.879 508 D CB -0.126 40.740 40.800 0.109 0.000 0.906 508 D HN 0.253 nan 8.370 nan 0.000 0.528 509 S N -0.468 115.358 115.700 0.210 0.000 3.614 509 S HA -0.224 4.244 4.470 -0.004 0.000 0.360 509 S C 1.202 175.998 174.600 0.327 0.000 1.023 509 S CA 0.584 58.928 58.200 0.241 0.000 1.114 509 S CB -1.011 62.315 63.200 0.210 0.000 0.907 509 S HN 0.454 nan 8.310 nan 0.000 0.470 510 K N -0.517 120.053 120.400 0.284 0.000 2.425 510 K HA 0.180 4.498 4.320 -0.004 0.000 0.201 510 K C 0.022 176.737 176.600 0.191 0.000 1.128 510 K CA 0.207 56.644 56.287 0.250 0.000 1.000 510 K CB 0.346 32.937 32.500 0.152 0.000 0.961 510 K HN 0.445 nan 8.250 nan 0.000 0.555 511 N N 0.530 119.360 118.700 0.217 0.000 2.242 511 N HA 0.300 5.037 4.740 -0.004 0.000 0.292 511 N C -2.019 173.580 175.510 0.148 0.000 1.125 511 N CA -0.664 52.441 53.050 0.093 0.000 0.783 511 N CB 2.242 40.712 38.487 -0.030 0.000 1.558 511 N HN -0.132 nan 8.380 nan 0.000 0.472 512 L N 2.395 123.594 121.223 -0.041 0.000 2.305 512 L HA 0.551 4.889 4.340 -0.004 0.000 0.284 512 L C -1.653 175.148 176.870 -0.115 0.000 1.013 512 L CA -0.429 54.322 54.840 -0.148 0.000 0.819 512 L CB 0.072 41.963 42.059 -0.279 0.000 1.227 512 L HN 0.498 nan 8.230 nan 0.000 0.417 513 Y N 5.162 125.423 120.300 -0.065 0.000 2.453 513 Y HA 0.679 5.226 4.550 -0.004 0.000 0.326 513 Y C -0.352 175.575 175.900 0.045 0.000 1.186 513 Y CA -0.105 57.973 58.100 -0.035 0.000 1.200 513 Y CB 1.536 39.947 38.460 -0.080 0.000 1.247 513 Y HN 0.638 nan 8.280 nan 0.000 0.482 514 Y N -1.509 118.808 120.300 0.027 0.000 2.779 514 Y HA 0.733 5.280 4.550 -0.004 0.000 0.340 514 Y C -2.467 173.370 175.900 -0.106 0.000 1.252 514 Y CA -1.922 56.125 58.100 -0.087 0.000 1.072 514 Y CB 0.756 39.138 38.460 -0.129 0.000 1.343 514 Y HN 0.404 nan 8.280 nan 0.000 0.450 515 L N 1.766 122.873 121.223 -0.193 0.000 2.333 515 L HA 0.892 5.230 4.340 -0.004 0.000 0.269 515 L C -0.616 176.081 176.870 -0.288 0.000 1.010 515 L CA -0.893 53.710 54.840 -0.396 0.000 0.818 515 L CB 2.289 43.870 42.059 -0.797 0.000 1.306 515 L HN 0.814 nan 8.230 nan 0.000 0.430 516 S N -0.671 115.023 115.700 -0.010 0.000 2.588 516 S HA 0.479 4.947 4.470 -0.004 0.000 0.275 516 S C -1.198 173.533 174.600 0.219 0.000 1.130 516 S CA -0.521 57.806 58.200 0.211 0.000 0.855 516 S CB 1.524 64.805 63.200 0.135 0.000 1.116 516 S HN 0.353 nan 8.310 nan 0.000 0.472 517 Y N 1.057 121.582 120.300 0.375 0.000 2.813 517 Y HA 0.351 4.898 4.550 -0.004 0.000 0.378 517 Y C 1.451 177.407 175.900 0.093 0.000 1.023 517 Y CA -0.432 57.798 58.100 0.216 0.000 1.567 517 Y CB -0.107 38.434 38.460 0.134 0.000 1.492 517 Y HN 0.533 nan 8.280 nan 0.000 0.533 518 R N -1.177 119.462 120.500 0.231 0.000 2.265 518 R HA 0.131 4.469 4.340 -0.004 0.000 0.194 518 R C 0.721 177.083 176.300 0.103 0.000 0.931 518 R CA 0.231 56.404 56.100 0.121 0.000 1.032 518 R CB 0.377 30.729 30.300 0.087 0.000 0.980 518 R HN 0.029 nan 8.270 nan 0.000 0.497 519 S N 2.207 118.000 115.700 0.156 0.000 4.085 519 S HA 0.169 4.636 4.470 -0.004 0.000 0.189 519 S C 0.167 174.808 174.600 0.068 0.000 1.392 519 S CA -0.075 58.197 58.200 0.120 0.000 0.972 519 S CB -0.373 62.909 63.200 0.136 0.000 1.482 519 S HN 0.201 nan 8.310 nan 0.000 0.446 520 L N 2.555 123.761 121.223 -0.029 0.000 2.601 520 L HA 0.146 4.483 4.340 -0.004 0.000 0.277 520 L C 0.325 177.271 176.870 0.127 0.000 1.219 520 L CA 0.301 55.076 54.840 -0.109 0.000 0.915 520 L CB -0.014 41.852 42.059 -0.322 0.000 1.160 520 L HN 0.323 nan 8.230 nan 0.000 0.494 521 D N 4.867 125.457 120.400 0.317 0.000 2.688 521 D HA 0.283 4.921 4.640 -0.004 0.000 0.210 521 D C -2.738 173.762 176.300 0.334 0.000 1.333 521 D CA -1.041 53.116 54.000 0.262 0.000 0.920 521 D CB 2.358 43.258 40.800 0.166 0.000 1.554 521 D HN 0.092 nan 8.370 nan 0.000 0.579 522 P HA 0.347 nan 4.420 nan 0.000 0.278 522 P C -0.603 176.784 177.300 0.145 0.000 1.238 522 P CA -0.451 62.681 63.100 0.053 0.000 0.794 522 P CB 1.190 32.828 31.700 -0.104 0.000 0.955 523 S N 2.688 118.456 115.700 0.114 0.000 2.501 523 S HA 0.573 5.041 4.470 -0.004 0.000 0.301 523 S C -2.413 172.212 174.600 0.041 0.000 1.096 523 S CA -1.279 56.978 58.200 0.095 0.000 1.063 523 S CB 1.414 64.627 63.200 0.022 0.000 1.042 523 S HN 0.444 nan 8.310 nan 0.000 0.494 524 P HA 0.202 nan 4.420 nan 0.000 0.288 524 P C -1.092 175.952 177.300 -0.428 0.000 1.267 524 P CA -0.507 62.248 63.100 -0.575 0.000 0.815 524 P CB 0.777 32.227 31.700 -0.417 0.000 0.989 525 D N 2.642 122.717 120.400 -0.542 0.000 2.345 525 D HA 0.031 4.669 4.640 -0.004 0.000 0.247 525 D C 0.863 176.997 176.300 -0.276 0.000 1.108 525 D CA -0.193 53.603 54.000 -0.339 0.000 0.894 525 D CB 0.912 41.507 40.800 -0.343 0.000 1.203 525 D HN 0.140 nan 8.370 nan 0.000 0.430 526 R N 2.652 123.043 120.500 -0.182 0.000 2.276 526 R HA 0.066 4.404 4.340 -0.004 0.000 0.196 526 R C 1.207 177.444 176.300 -0.105 0.000 0.961 526 R CA 0.236 56.259 56.100 -0.128 0.000 1.024 526 R CB 0.112 30.360 30.300 -0.086 0.000 0.940 526 R HN 0.335 nan 8.270 nan 0.000 0.480 527 V N -0.473 119.367 119.914 -0.124 0.000 3.013 527 V HA 0.147 4.265 4.120 -0.004 0.000 0.238 527 V C 0.770 176.807 176.094 -0.095 0.000 1.161 527 V CA 0.442 62.689 62.300 -0.089 0.000 1.170 527 V CB 0.721 32.498 31.823 -0.077 0.000 0.917 527 V HN -0.210 nan 8.190 nan 0.000 0.478 528 V N 1.149 120.962 119.914 -0.169 0.000 2.769 528 V HA 0.451 4.569 4.120 -0.004 0.000 0.312 528 V C -0.363 175.641 176.094 -0.151 0.000 1.058 528 V CA -0.764 61.447 62.300 -0.149 0.000 0.952 528 V CB 2.178 33.808 31.823 -0.320 0.000 1.019 528 V HN 0.282 nan 8.190 nan 0.000 0.445 529 L N 4.680 125.866 121.223 -0.061 0.000 2.515 529 L HA 0.374 4.711 4.340 -0.004 0.000 0.281 529 L C -0.034 176.796 176.870 -0.066 0.000 1.131 529 L CA 1.115 55.926 54.840 -0.048 0.000 0.905 529 L CB -1.160 40.925 42.059 0.044 0.000 1.246 529 L HN 0.886 nan 8.230 nan 0.000 0.463 530 N N 3.355 121.927 118.700 -0.213 0.000 3.043 530 N HA 0.399 5.137 4.740 -0.004 0.000 0.243 530 N C -1.851 173.400 175.510 -0.432 0.000 1.347 530 N CA -0.547 52.410 53.050 -0.155 0.000 0.896 530 N CB 0.892 39.267 38.487 -0.187 0.000 1.501 530 N HN 0.265 nan 8.380 nan 0.000 0.504 531 F N 0.489 120.354 119.950 -0.143 0.000 2.626 531 F HA 0.602 5.128 4.527 -0.001 0.000 0.311 531 F C -0.039 175.588 175.800 -0.287 0.000 1.088 531 F CA -0.254 57.629 58.000 -0.196 0.000 0.949 531 F CB 2.179 41.057 39.000 -0.203 0.000 1.322 531 F HN 0.536 nan 8.300 nan 0.000 0.461 532 S N 0.030 115.626 115.700 -0.173 0.000 2.565 532 S HA 0.663 5.130 4.470 -0.004 0.000 0.269 532 S C -1.505 172.891 174.600 -0.340 0.000 1.153 532 S CA -0.927 57.084 58.200 -0.314 0.000 0.835 532 S CB 1.042 64.152 63.200 -0.151 0.000 1.122 532 S HN 0.353 nan 8.310 nan 0.000 0.462 533 F N 2.162 122.121 119.950 0.015 0.000 2.423 533 F HA 0.404 4.930 4.527 -0.003 0.000 0.356 533 F C 1.577 177.363 175.800 -0.024 0.000 1.170 533 F CA -0.422 57.581 58.000 0.006 0.000 1.163 533 F CB 0.706 39.701 39.000 -0.009 0.000 1.318 533 F HN 0.651 nan 8.300 nan 0.000 0.569 534 E N 1.783 122.059 120.200 0.127 0.000 2.206 534 E HA 0.050 4.398 4.350 -0.004 0.000 0.195 534 E C 0.611 177.255 176.600 0.074 0.000 0.935 534 E CA 0.694 57.128 56.400 0.056 0.000 0.875 534 E CB 0.528 30.238 29.700 0.016 0.000 0.841 534 E HN 0.351 nan 8.360 nan 0.000 0.477 535 V N 0.613 120.588 119.914 0.101 0.000 2.260 535 V HA 0.326 4.444 4.120 -0.004 0.000 0.263 535 V C 0.430 176.597 176.094 0.121 0.000 1.036 535 V CA -0.547 61.799 62.300 0.076 0.000 0.874 535 V CB 0.576 32.427 31.823 0.048 0.000 1.116 535 V HN 0.014 nan 8.190 nan 0.000 0.454 536 V N -0.431 119.589 119.914 0.177 0.000 3.166 536 V HA 0.478 4.596 4.120 -0.004 0.000 0.332 536 V C 0.562 176.815 176.094 0.265 0.000 1.434 536 V CA 0.499 62.924 62.300 0.208 0.000 1.121 536 V CB 0.205 32.144 31.823 0.195 0.000 1.062 536 V HN 0.605 nan 8.190 nan 0.000 0.489 537 S N 1.830 117.648 115.700 0.196 0.000 2.513 537 S HA 0.711 5.179 4.470 -0.004 0.000 0.276 537 S C -0.447 174.255 174.600 0.170 0.000 1.254 537 S CA -0.316 57.945 58.200 0.102 0.000 1.053 537 S CB 1.098 64.260 63.200 -0.062 0.000 0.958 537 S HN 0.712 nan 8.310 nan 0.000 0.491 538 K N 5.115 125.636 120.400 0.201 0.000 2.501 538 K HA 0.639 4.957 4.320 -0.004 0.000 0.252 538 K C -2.984 173.616 176.600 -0.001 0.000 0.934 538 K CA -1.897 54.462 56.287 0.120 0.000 0.797 538 K CB 2.040 34.561 32.500 0.035 0.000 1.270 538 K HN 0.319 nan 8.250 nan 0.000 0.431 539 P HA 0.381 nan 4.420 nan 0.000 0.286 539 P C -1.118 175.857 177.300 -0.543 0.000 1.261 539 P CA -0.344 62.588 63.100 -0.279 0.000 0.821 539 P CB 0.743 32.265 31.700 -0.297 0.000 1.013 540 F N 0.271 119.859 119.950 -0.603 0.000 2.640 540 F HA 0.609 5.133 4.527 -0.004 0.000 0.324 540 F C -0.005 175.400 175.800 -0.658 0.000 1.077 540 F CA -0.956 56.648 58.000 -0.660 0.000 0.965 540 F CB 2.019 40.472 39.000 -0.913 0.000 1.351 540 F HN 0.057 nan 8.300 nan 0.000 0.487 541 V N 2.775 122.534 119.914 -0.258 0.000 2.971 541 V HA 0.648 4.766 4.120 -0.004 0.000 0.309 541 V C -1.523 174.479 176.094 -0.154 0.000 1.130 541 V CA -0.628 61.444 62.300 -0.380 0.000 0.964 541 V CB 2.267 33.664 31.823 -0.710 0.000 1.029 541 V HN 0.603 nan 8.190 nan 0.000 0.427 542 I N 7.737 128.226 120.570 -0.134 0.000 2.448 542 I HA 0.412 4.580 4.170 -0.004 0.000 0.281 542 I C -2.495 173.566 176.117 -0.093 0.000 1.027 542 I CA -1.859 59.410 61.300 -0.052 0.000 1.111 542 I CB 2.583 40.596 38.000 0.023 0.000 1.236 542 I HN 0.480 nan 8.210 nan 0.000 0.452 543 P HA 0.115 nan 4.420 nan 0.000 0.271 543 P C 0.527 177.806 177.300 -0.034 0.000 1.220 543 P CA -0.089 62.981 63.100 -0.050 0.000 0.768 543 P CB 1.271 32.946 31.700 -0.041 0.000 0.848 544 L N 2.665 123.890 121.223 0.003 0.000 2.478 544 L HA 0.109 4.447 4.340 -0.004 0.000 0.223 544 L C 1.104 178.015 176.870 0.068 0.000 1.140 544 L CA 0.691 55.527 54.840 -0.007 0.000 0.842 544 L CB -0.269 41.781 42.059 -0.015 0.000 0.953 544 L HN 0.339 nan 8.230 nan 0.000 0.452 545 I N 0.543 121.142 120.570 0.049 0.000 2.354 545 I HA 0.280 4.448 4.170 -0.004 0.000 0.286 545 I C -2.248 173.859 176.117 -0.017 0.000 1.007 545 I CA -2.140 59.168 61.300 0.014 0.000 1.167 545 I CB 1.509 39.492 38.000 -0.028 0.000 1.320 545 I HN -0.274 nan 8.210 nan 0.000 0.458 546 P HA 0.072 nan 4.420 nan 0.000 0.264 546 P C 0.909 178.191 177.300 -0.030 0.000 1.183 546 P CA 0.714 63.792 63.100 -0.036 0.000 0.763 546 P CB 0.670 32.347 31.700 -0.039 0.000 0.807 547 G N 1.450 110.233 108.800 -0.029 0.000 2.258 547 G HA2 -0.249 3.709 3.960 -0.004 0.000 0.233 547 G HA3 -0.249 3.709 3.960 -0.004 0.000 0.233 547 G C 0.510 175.397 174.900 -0.021 0.000 1.006 547 G CA 0.187 45.272 45.100 -0.024 0.000 0.620 547 G HN 0.760 nan 8.290 nan 0.000 0.511 548 S N 3.136 118.823 115.700 -0.022 0.000 2.523 548 S HA 0.616 5.084 4.470 -0.004 0.000 0.275 548 S C -1.472 173.117 174.600 -0.019 0.000 1.281 548 S CA -0.510 57.679 58.200 -0.017 0.000 1.050 548 S CB 1.306 64.497 63.200 -0.015 0.000 0.937 548 S HN 0.443 nan 8.310 nan 0.000 0.492 549 P HA 0.173 nan 4.420 nan 0.000 0.278 549 P C -0.743 176.544 177.300 -0.021 0.000 1.266 549 P CA -0.828 62.262 63.100 -0.016 0.000 0.807 549 P CB 0.407 32.102 31.700 -0.009 0.000 1.094 550 N N 2.341 121.023 118.700 -0.030 0.000 2.374 550 N HA -0.055 4.683 4.740 -0.004 0.000 0.269 550 N C -1.122 174.379 175.510 -0.015 0.000 1.310 550 N CA -1.013 52.009 53.050 -0.047 0.000 0.877 550 N CB 0.030 38.487 38.487 -0.049 0.000 1.096 550 N HN 0.243 nan 8.380 nan 0.000 0.484 551 P HA -0.131 nan 4.420 nan 0.000 0.219 551 P C 0.888 178.233 177.300 0.076 0.000 1.146 551 P CA 1.339 64.471 63.100 0.052 0.000 0.808 551 P CB -0.095 31.665 31.700 0.100 0.000 0.779 552 T N -3.594 111.008 114.554 0.081 0.000 3.113 552 T HA 0.082 4.430 4.350 -0.004 0.000 0.256 552 T C 1.632 176.376 174.700 0.074 0.000 1.131 552 T CA 0.433 62.598 62.100 0.109 0.000 1.074 552 T CB -0.533 68.411 68.868 0.126 0.000 0.944 552 T HN 0.130 nan 8.240 nan 0.000 0.516 553 K N 0.782 121.205 120.400 0.037 0.000 2.486 553 K HA 0.308 4.626 4.320 -0.004 0.000 0.194 553 K C 0.505 177.120 176.600 0.025 0.000 1.033 553 K CA 0.026 56.328 56.287 0.025 0.000 1.004 553 K CB -0.353 32.152 32.500 0.007 0.000 0.798 553 K HN 0.343 nan 8.250 nan 0.000 0.495 554 L N 0.697 121.938 121.223 0.031 0.000 3.843 554 L HA -0.213 4.125 4.340 -0.004 0.000 0.411 554 L C -0.329 176.550 176.870 0.015 0.000 1.205 554 L CA -0.252 54.602 54.840 0.024 0.000 0.945 554 L CB -2.033 40.039 42.059 0.021 0.000 1.929 554 L HN -0.085 nan 8.230 nan 0.000 0.934 555 V N 0.467 120.388 119.914 0.013 0.000 2.540 555 V HA 0.063 4.181 4.120 -0.004 0.000 0.297 555 V C -1.209 174.890 176.094 0.007 0.000 1.024 555 V CA -0.637 61.668 62.300 0.008 0.000 1.105 555 V CB 0.328 32.154 31.823 0.005 0.000 0.938 555 V HN 0.099 nan 8.190 nan 0.000 0.482 556 P HA 0.097 nan 4.420 nan 0.000 0.265 556 P C 0.786 178.088 177.300 0.004 0.000 1.193 556 P CA -0.113 62.990 63.100 0.005 0.000 0.765 556 P CB 0.460 32.162 31.700 0.003 0.000 0.823 557 R N 3.012 123.515 120.500 0.004 0.000 2.083 557 R HA -0.167 4.171 4.340 -0.004 0.000 0.237 557 R C 1.791 178.091 176.300 0.000 0.000 1.137 557 R CA 2.407 58.508 56.100 0.003 0.000 0.951 557 R CB -0.759 29.543 30.300 0.004 0.000 0.851 557 R HN 0.537 nan 8.270 nan 0.000 0.434 558 S N -0.103 115.597 115.700 0.000 0.000 2.469 558 S HA -0.117 4.350 4.470 -0.004 0.000 0.238 558 S C 1.665 176.264 174.600 -0.001 0.000 0.998 558 S CA 1.270 59.469 58.200 -0.001 0.000 0.957 558 S CB -0.094 63.106 63.200 -0.000 0.000 0.764 558 S HN 0.452 nan 8.310 nan 0.000 0.514 559 M N 1.259 120.859 119.600 -0.001 0.000 2.356 559 M HA 0.218 4.696 4.480 -0.004 0.000 0.262 559 M C -0.550 175.748 176.300 -0.003 0.000 1.097 559 M CA 0.112 55.411 55.300 -0.002 0.000 0.991 559 M CB 0.736 33.336 32.600 -0.001 0.000 1.450 559 M HN 0.099 nan 8.290 nan 0.000 0.495 560 T N 0.636 115.188 114.554 -0.003 0.000 2.812 560 T HA 0.278 4.626 4.350 -0.004 0.000 0.282 560 T C 0.157 174.853 174.700 -0.007 0.000 0.990 560 T CA -0.723 61.374 62.100 -0.005 0.000 0.960 560 T CB 1.542 70.408 68.868 -0.004 0.000 0.948 560 T HN 0.226 nan 8.240 nan 0.000 0.438 561 S N 2.926 118.620 115.700 -0.009 0.000 2.701 561 S HA 0.296 4.764 4.470 -0.004 0.000 0.317 561 S C 0.357 174.949 174.600 -0.014 0.000 1.149 561 S CA -0.738 57.455 58.200 -0.011 0.000 1.052 561 S CB 0.051 63.245 63.200 -0.011 0.000 1.257 561 S HN 0.555 nan 8.310 nan 0.000 0.532 562 E N 2.641 122.833 120.200 -0.014 0.000 3.876 562 E HA 0.613 4.960 4.350 -0.004 0.000 0.398 562 E C 1.095 177.681 176.600 -0.024 0.000 1.531 562 E CA 0.873 57.262 56.400 -0.018 0.000 2.239 562 E CB -0.368 29.323 29.700 -0.016 0.000 1.198 562 E HN 1.259 nan 8.360 nan 0.000 0.720 563 A N -1.815 120.986 122.820 -0.032 0.000 6.338 563 A HA 0.329 4.646 4.320 -0.004 0.000 0.226 563 A C 0.604 178.159 177.584 -0.049 0.000 2.343 563 A CA 0.580 52.592 52.037 -0.041 0.000 0.694 563 A CB -1.943 17.038 19.000 -0.032 0.000 0.874 563 A HN 1.787 nan 8.150 nan 0.000 0.351 564 G N -1.591 107.177 108.800 -0.053 0.000 2.650 564 G HA2 0.503 4.461 3.960 -0.004 0.000 0.686 564 G HA3 0.503 4.461 3.960 -0.004 0.000 0.686 564 G C -0.686 174.163 174.900 -0.085 0.000 1.205 564 G CA 0.962 46.029 45.100 -0.055 0.000 0.781 564 G HN 2.013 nan 8.290 nan 0.000 0.648 565 E N -0.084 120.075 120.200 -0.068 0.000 2.232 565 E HA 0.602 4.950 4.350 -0.004 0.000 0.265 565 E C -0.123 176.457 176.600 -0.034 0.000 1.001 565 E CA -1.013 55.336 56.400 -0.084 0.000 0.870 565 E CB 0.996 30.678 29.700 -0.030 0.000 1.175 565 E HN 0.511 nan 8.360 nan 0.000 0.407 566 Y N 1.193 121.488 120.300 -0.009 0.000 2.702 566 Y HA 0.015 4.563 4.550 -0.004 0.000 0.336 566 Y C 0.313 176.169 175.900 -0.072 0.000 1.235 566 Y CA 0.449 58.532 58.100 -0.028 0.000 1.492 566 Y CB 0.586 39.079 38.460 0.054 0.000 1.308 566 Y HN 0.440 nan 8.280 nan 0.000 0.589 567 D N 3.355 123.785 120.400 0.050 0.000 2.312 567 D HA 0.118 4.756 4.640 -0.004 0.000 0.229 567 D C -0.478 175.702 176.300 -0.200 0.000 1.337 567 D CA -0.287 53.668 54.000 -0.075 0.000 0.964 567 D CB 0.370 41.149 40.800 -0.036 0.000 1.456 567 D HN 0.494 nan 8.370 nan 0.000 0.547 568 L N 1.783 122.732 121.223 -0.456 0.000 2.599 568 L HA 0.195 4.533 4.340 -0.004 0.000 0.230 568 L C 0.478 177.165 176.870 -0.306 0.000 1.141 568 L CA 0.063 54.550 54.840 -0.588 0.000 0.877 568 L CB -0.627 40.721 42.059 -1.184 0.000 1.009 568 L HN 0.168 nan 8.230 nan 0.000 0.447 569 N N 0.757 119.384 118.700 -0.121 0.000 2.492 569 N HA -0.021 4.717 4.740 -0.004 0.000 0.260 569 N C 0.062 175.547 175.510 -0.042 0.000 1.215 569 N CA -0.060 53.042 53.050 0.086 0.000 0.923 569 N CB 0.244 38.789 38.487 0.096 0.000 1.092 569 N HN 0.054 nan 8.380 nan 0.000 0.448 570 D N 0.852 121.210 120.400 -0.070 0.000 2.737 570 D HA -0.227 4.411 4.640 -0.004 0.000 0.233 570 D C 1.110 177.138 176.300 -0.452 0.000 1.155 570 D CA 0.665 54.426 54.000 -0.398 0.000 0.667 570 D CB -0.849 39.761 40.800 -0.316 0.000 1.060 570 D HN 0.685 nan 8.370 nan 0.000 0.427 571 M N -2.033 117.428 119.600 -0.231 0.000 2.374 571 M HA -0.159 4.319 4.480 -0.004 0.000 0.264 571 M C 2.156 178.376 176.300 -0.133 0.000 1.067 571 M CA 1.093 56.297 55.300 -0.159 0.000 1.103 571 M CB -0.779 31.766 32.600 -0.091 0.000 1.402 571 M HN 0.192 nan 8.290 nan 0.000 0.444 572 Y N 0.882 121.164 120.300 -0.029 0.000 2.352 572 Y HA 0.121 4.669 4.550 -0.004 0.000 0.292 572 Y C 1.826 177.720 175.900 -0.011 0.000 1.136 572 Y CA 0.780 58.861 58.100 -0.031 0.000 1.227 572 Y CB -1.006 37.427 38.460 -0.044 0.000 0.991 572 Y HN 0.153 nan 8.280 nan 0.000 0.545 573 K N 0.625 120.763 120.400 -0.437 0.000 2.211 573 K HA -0.024 4.294 4.320 -0.004 0.000 0.203 573 K C 1.825 178.367 176.600 -0.097 0.000 1.050 573 K CA 1.137 57.294 56.287 -0.218 0.000 0.945 573 K CB -0.134 32.176 32.500 -0.316 0.000 0.732 573 K HN 0.379 nan 8.250 nan 0.000 0.451 574 R N 1.192 121.630 120.500 -0.104 0.000 2.297 574 R HA 0.035 4.373 4.340 -0.004 0.000 0.197 574 R C 0.630 176.930 176.300 -0.001 0.000 0.943 574 R CA 0.082 56.150 56.100 -0.053 0.000 1.038 574 R CB 0.188 30.446 30.300 -0.069 0.000 0.957 574 R HN 0.117 nan 8.270 nan 0.000 0.484 575 S N 0.538 116.263 115.700 0.042 0.000 2.568 575 S HA 0.115 4.583 4.470 -0.004 0.000 0.282 575 S C 0.116 174.795 174.600 0.132 0.000 1.338 575 S CA -0.475 57.794 58.200 0.114 0.000 1.045 575 S CB 1.617 64.923 63.200 0.177 0.000 0.873 575 S HN 0.074 nan 8.310 nan 0.000 0.516 576 S N 2.858 118.643 115.700 0.143 0.000 2.548 576 S HA 0.657 5.125 4.470 -0.004 0.000 0.276 576 S C -3.047 171.560 174.600 0.011 0.000 1.129 576 S CA -1.504 56.749 58.200 0.087 0.000 0.931 576 S CB 1.691 64.888 63.200 -0.004 0.000 1.068 576 S HN 0.715 nan 8.310 nan 0.000 0.480 577 P HA 0.378 nan 4.420 nan 0.000 0.276 577 P C -0.701 176.352 177.300 -0.412 0.000 1.252 577 P CA -0.634 62.054 63.100 -0.686 0.000 0.802 577 P CB 0.747 31.985 31.700 -0.771 0.000 1.035 578 I N 0.441 120.732 120.570 -0.466 0.000 2.460 578 I HA 0.295 4.463 4.170 -0.004 0.000 0.298 578 I C 0.536 176.466 176.117 -0.312 0.000 0.989 578 I CA -0.862 60.246 61.300 -0.321 0.000 1.173 578 I CB 0.970 38.770 38.000 -0.334 0.000 1.338 578 I HN 0.121 nan 8.210 nan 0.000 0.456 579 N N 6.037 124.631 118.700 -0.177 0.000 3.117 579 N HA 0.068 4.806 4.740 -0.004 0.000 0.323 579 N C -0.998 174.486 175.510 -0.044 0.000 1.245 579 N CA 0.230 53.239 53.050 -0.068 0.000 1.191 579 N CB -0.193 38.330 38.487 0.060 0.000 1.451 579 N HN 0.319 nan 8.380 nan 0.000 0.555 580 V N 0.841 120.642 119.914 -0.189 0.000 2.459 580 V HA 0.139 4.257 4.120 -0.004 0.000 0.295 580 V C 0.224 176.311 176.094 -0.011 0.000 1.029 580 V CA -1.078 61.141 62.300 -0.135 0.000 0.874 580 V CB 2.129 33.728 31.823 -0.373 0.000 0.985 580 V HN 0.172 nan 8.190 nan 0.000 0.438 581 D N 5.111 125.557 120.400 0.077 0.000 2.419 581 D HA 0.168 4.806 4.640 -0.004 0.000 0.236 581 D C -2.262 174.150 176.300 0.187 0.000 1.165 581 D CA -0.634 53.431 54.000 0.109 0.000 0.882 581 D CB 0.622 41.493 40.800 0.118 0.000 1.201 581 D HN 0.323 nan 8.370 nan 0.000 0.443 582 P HA 0.337 nan 4.420 nan 0.000 0.272 582 P C 0.017 177.346 177.300 0.049 0.000 1.230 582 P CA -0.153 63.028 63.100 0.134 0.000 0.788 582 P CB 1.015 32.772 31.700 0.095 0.000 0.949 583 G N 0.238 108.903 108.800 -0.226 0.000 2.635 583 G HA2 0.349 4.306 3.960 -0.004 0.000 0.194 583 G HA3 0.349 4.306 3.960 -0.004 0.000 0.194 583 G C -1.701 172.880 174.900 -0.532 0.000 1.198 583 G CA -0.178 44.669 45.100 -0.422 0.000 0.972 583 G HN 0.429 nan 8.290 nan 0.000 0.520 584 D N 0.111 120.151 120.400 -0.600 0.000 2.408 584 D HA 0.497 5.135 4.640 -0.004 0.000 0.261 584 D C -1.327 174.874 176.300 -0.166 0.000 1.190 584 D CA -0.399 53.480 54.000 -0.202 0.000 0.910 584 D CB 0.171 41.001 40.800 0.049 0.000 1.097 584 D HN 0.287 nan 8.370 nan 0.000 0.522 585 Y N 1.590 122.023 120.300 0.222 0.000 2.387 585 Y HA 0.474 5.022 4.550 -0.003 0.000 0.330 585 Y C 1.656 177.739 175.900 0.305 0.000 1.133 585 Y CA -1.018 57.208 58.100 0.209 0.000 1.152 585 Y CB 1.598 40.112 38.460 0.089 0.000 1.215 585 Y HN 0.063 nan 8.280 nan 0.000 0.466 586 R N 1.348 122.147 120.500 0.498 0.000 2.469 586 R HA 0.301 4.639 4.340 -0.004 0.000 0.250 586 R C -0.537 175.929 176.300 0.277 0.000 0.909 586 R CA 0.179 56.530 56.100 0.418 0.000 1.050 586 R CB 0.978 31.457 30.300 0.297 0.000 1.256 586 R HN 0.793 nan 8.270 nan 0.000 0.550 587 M N 0.371 120.116 119.600 0.241 0.000 2.471 587 M HA 0.459 4.937 4.480 -0.004 0.000 0.284 587 M C -1.997 174.350 176.300 0.078 0.000 1.203 587 M CA -0.710 54.666 55.300 0.126 0.000 0.915 587 M CB 2.834 35.494 32.600 0.100 0.000 1.734 587 M HN -0.001 nan 8.290 nan 0.000 0.485 588 I N 4.830 125.402 120.570 0.004 0.000 2.533 588 I HA 0.549 4.716 4.170 -0.004 0.000 0.290 588 I C -1.837 174.241 176.117 -0.066 0.000 1.056 588 I CA -0.705 60.560 61.300 -0.059 0.000 1.057 588 I CB 1.642 39.579 38.000 -0.105 0.000 1.240 588 I HN 0.746 nan 8.210 nan 0.000 0.423 589 I N 9.688 130.205 120.570 -0.088 0.000 2.466 589 I HA 0.355 4.523 4.170 -0.004 0.000 0.279 589 I C -2.403 173.610 176.117 -0.174 0.000 1.033 589 I CA -1.768 59.478 61.300 -0.089 0.000 1.123 589 I CB 1.765 39.753 38.000 -0.020 0.000 1.237 589 I HN 0.337 nan 8.210 nan 0.000 0.460 590 P HA 0.283 nan 4.420 nan 0.000 0.282 590 P C -0.786 176.396 177.300 -0.196 0.000 1.262 590 P CA 0.046 62.873 63.100 -0.455 0.000 0.773 590 P CB 1.424 32.503 31.700 -1.035 0.000 0.879 591 L N 1.887 123.039 121.223 -0.119 0.000 2.267 591 L HA 0.365 4.703 4.340 -0.004 0.000 0.264 591 L C 2.265 179.128 176.870 -0.011 0.000 1.021 591 L CA -0.818 53.999 54.840 -0.038 0.000 0.861 591 L CB 0.556 42.607 42.059 -0.013 0.000 1.443 591 L HN 0.312 nan 8.230 nan 0.000 0.475 592 E N 0.437 120.644 120.200 0.012 0.000 2.021 592 E HA -0.219 4.129 4.350 -0.004 0.000 0.200 592 E C 1.090 177.706 176.600 0.027 0.000 1.015 592 E CA 2.130 58.545 56.400 0.025 0.000 0.824 592 E CB 0.113 29.828 29.700 0.025 0.000 0.762 592 E HN 0.635 nan 8.360 nan 0.000 0.454 593 S N -0.763 114.948 115.700 0.020 0.000 2.664 593 S HA 0.257 4.725 4.470 -0.004 0.000 0.245 593 S C -0.238 174.371 174.600 0.015 0.000 1.019 593 S CA -0.142 58.069 58.200 0.018 0.000 0.996 593 S CB 0.674 63.879 63.200 0.008 0.000 0.878 593 S HN 0.259 nan 8.310 nan 0.000 0.493 594 S N 0.459 116.173 115.700 0.022 0.000 2.588 594 S HA 0.750 5.218 4.470 -0.004 0.000 0.269 594 S C -1.401 173.217 174.600 0.031 0.000 1.157 594 S CA -1.024 57.200 58.200 0.039 0.000 0.824 594 S CB 0.742 63.953 63.200 0.020 0.000 1.126 594 S HN 0.280 nan 8.310 nan 0.000 0.464 595 I N 1.753 122.368 120.570 0.075 0.000 2.447 595 I HA 0.360 4.528 4.170 -0.004 0.000 0.287 595 I C -0.930 175.184 176.117 -0.005 0.000 1.023 595 I CA -0.871 60.415 61.300 -0.023 0.000 1.083 595 I CB 1.683 39.633 38.000 -0.084 0.000 1.245 595 I HN 0.474 nan 8.210 nan 0.000 0.434 596 L N 6.861 128.067 121.223 -0.029 0.000 2.357 596 L HA 0.575 4.913 4.340 -0.004 0.000 0.273 596 L C -0.222 176.633 176.870 -0.024 0.000 1.080 596 L CA -0.343 54.500 54.840 0.005 0.000 0.803 596 L CB 1.457 43.541 42.059 0.041 0.000 1.174 596 L HN 0.505 nan 8.230 nan 0.000 0.443 597 I N 2.620 123.182 120.570 -0.013 0.000 2.571 597 I HA 0.205 4.373 4.170 -0.004 0.000 0.289 597 I C -1.100 175.071 176.117 0.090 0.000 1.115 597 I CA -0.705 60.575 61.300 -0.034 0.000 1.045 597 I CB 2.444 40.290 38.000 -0.258 0.000 1.238 597 I HN 0.378 nan 8.210 nan 0.000 0.424 598 Y N 5.578 125.925 120.300 0.079 0.000 2.404 598 Y HA 0.410 4.958 4.550 -0.003 0.000 0.344 598 Y C 0.326 176.373 175.900 0.245 0.000 0.995 598 Y CA 0.395 58.582 58.100 0.145 0.000 1.201 598 Y CB 1.125 39.671 38.460 0.143 0.000 1.151 598 Y HN 0.562 nan 8.280 nan 0.000 0.517 599 S N 4.663 120.399 115.700 0.061 0.000 2.501 599 S HA 0.736 5.204 4.470 -0.004 0.000 0.301 599 S C -1.608 173.036 174.600 0.073 0.000 1.096 599 S CA -0.640 57.702 58.200 0.236 0.000 1.063 599 S CB 1.076 64.436 63.200 0.267 0.000 1.042 599 S HN 0.456 nan 8.310 nan 0.000 0.494 600 V N 6.219 126.233 119.914 0.167 0.000 2.349 600 V HA 0.406 4.524 4.120 -0.004 0.000 0.284 600 V C -2.363 173.825 176.094 0.157 0.000 1.014 600 V CA -1.792 60.610 62.300 0.170 0.000 0.826 600 V CB 1.185 33.172 31.823 0.274 0.000 1.009 600 V HN 0.762 nan 8.190 nan 0.000 0.431 601 P HA 0.069 nan 4.420 nan 0.000 0.266 601 P C -0.056 177.371 177.300 0.212 0.000 1.195 601 P CA 0.029 63.205 63.100 0.127 0.000 0.768 601 P CB 0.493 32.248 31.700 0.091 0.000 0.838 602 V N 5.187 125.171 119.914 0.117 0.000 2.617 602 V HA 0.052 4.170 4.120 -0.004 0.000 0.304 602 V C 0.775 176.930 176.094 0.101 0.000 1.040 602 V CA 0.897 63.226 62.300 0.049 0.000 1.149 602 V CB -0.817 31.007 31.823 0.002 0.000 0.914 602 V HN 0.762 nan 8.190 nan 0.000 0.487 603 H N 2.386 121.478 119.070 0.037 0.000 2.990 603 H HA 0.600 5.153 4.556 -0.005 0.000 0.343 603 H C -0.115 175.243 175.328 0.049 0.000 1.270 603 H CA -0.583 55.490 56.048 0.043 0.000 1.118 603 H CB 1.741 31.535 29.762 0.054 0.000 1.861 603 H HN 0.671 nan 8.280 nan 0.000 0.544 604 G N -0.190 108.690 108.800 0.134 0.000 2.507 604 G HA2 0.189 4.147 3.960 -0.004 0.000 0.271 604 G HA3 0.189 4.147 3.960 -0.004 0.000 0.271 604 G C 0.339 175.365 174.900 0.210 0.000 1.189 604 G CA -0.410 44.752 45.100 0.103 0.000 0.859 604 G HN 0.651 nan 8.290 nan 0.000 0.542 605 E N 0.952 121.250 120.200 0.164 0.000 2.452 605 E HA 0.003 4.351 4.350 -0.004 0.000 0.197 605 E C 1.642 178.396 176.600 0.256 0.000 1.022 605 E CA -0.312 56.207 56.400 0.197 0.000 0.890 605 E CB 0.085 29.843 29.700 0.096 0.000 0.918 605 E HN 0.548 nan 8.360 nan 0.000 0.496 606 F N 2.520 122.566 119.950 0.160 0.000 2.043 606 F HA -0.340 4.187 4.527 0.001 0.000 0.297 606 F C 2.288 178.263 175.800 0.292 0.000 1.118 606 F CA 2.184 60.337 58.000 0.254 0.000 1.202 606 F CB -0.282 38.820 39.000 0.169 0.000 0.965 606 F HN 0.038 nan 8.300 nan 0.000 0.482 607 A N -0.028 123.070 122.820 0.463 0.000 1.902 607 A HA -0.084 4.234 4.320 -0.004 0.000 0.217 607 A C 2.357 180.037 177.584 0.159 0.000 1.181 607 A CA 1.974 54.194 52.037 0.305 0.000 0.623 607 A CB -1.602 17.541 19.000 0.237 0.000 0.818 607 A HN 0.546 nan 8.150 nan 0.000 0.443 608 A N -1.874 121.038 122.820 0.154 0.000 1.930 608 A HA -0.089 4.228 4.320 -0.004 0.000 0.217 608 A C 2.150 179.748 177.584 0.025 0.000 1.175 608 A CA 1.620 53.714 52.037 0.094 0.000 0.627 608 A CB -0.734 18.346 19.000 0.133 0.000 0.815 608 A HN 0.679 nan 8.150 nan 0.000 0.443 609 Y N -1.436 118.780 120.300 -0.140 0.000 2.242 609 Y HA -0.166 4.382 4.550 -0.004 0.000 0.291 609 Y C 1.880 177.452 175.900 -0.546 0.000 1.137 609 Y CA 1.958 59.838 58.100 -0.367 0.000 1.181 609 Y CB -0.114 38.035 38.460 -0.520 0.000 0.989 609 Y HN 0.407 nan 8.280 nan 0.000 0.527 610 Y N -1.502 118.682 120.300 -0.193 0.000 2.559 610 Y HA 0.104 4.652 4.550 -0.004 0.000 0.279 610 Y C 1.465 177.272 175.900 -0.155 0.000 1.117 610 Y CA 0.254 58.196 58.100 -0.263 0.000 1.263 610 Y CB 0.168 38.378 38.460 -0.416 0.000 1.230 610 Y HN -0.039 nan 8.280 nan 0.000 0.528 611 Q N -0.104 119.734 119.800 0.063 0.000 2.189 611 Q HA 0.281 4.619 4.340 -0.004 0.000 0.221 611 Q C 1.359 177.374 176.000 0.026 0.000 0.848 611 Q CA 0.369 56.205 55.803 0.054 0.000 1.007 611 Q CB 0.898 29.694 28.738 0.097 0.000 1.116 611 Q HN 0.497 nan 8.270 nan 0.000 0.481 612 G N 1.261 110.056 108.800 -0.008 0.000 2.216 612 G HA2 -0.413 3.545 3.960 -0.004 0.000 0.269 612 G HA3 -0.413 3.545 3.960 -0.004 0.000 0.269 612 G C 0.516 175.428 174.900 0.020 0.000 0.981 612 G CA 0.224 45.320 45.100 -0.007 0.000 0.658 612 G HN 0.676 nan 8.290 nan 0.000 0.539 613 A N 1.203 124.046 122.820 0.039 0.000 2.584 613 A HA 0.462 4.780 4.320 -0.004 0.000 0.239 613 A C -0.546 177.061 177.584 0.039 0.000 1.043 613 A CA 0.422 52.487 52.037 0.046 0.000 0.756 613 A CB 0.162 19.202 19.000 0.067 0.000 0.963 613 A HN 0.452 nan 8.150 nan 0.000 0.511 614 P HA 0.179 nan 4.420 nan 0.000 0.278 614 P C -0.443 176.861 177.300 0.007 0.000 1.238 614 P CA -0.411 62.711 63.100 0.037 0.000 0.794 614 P CB 0.776 32.506 31.700 0.051 0.000 0.955 615 E N 2.057 122.264 120.200 0.012 0.000 2.290 615 E HA 0.069 4.417 4.350 -0.004 0.000 0.277 615 E C -0.292 176.297 176.600 -0.018 0.000 1.035 615 E CA -0.294 56.068 56.400 -0.064 0.000 0.873 615 E CB 0.382 30.104 29.700 0.037 0.000 1.029 615 E HN 0.237 nan 8.360 nan 0.000 0.419 616 K N 2.404 122.739 120.400 -0.109 0.000 2.205 616 K HA 0.431 4.748 4.320 -0.004 0.000 0.279 616 K C -0.052 176.558 176.600 0.017 0.000 1.027 616 K CA -0.426 55.849 56.287 -0.020 0.000 0.932 616 K CB 1.717 34.186 32.500 -0.051 0.000 1.032 616 K HN 0.566 nan 8.250 nan 0.000 0.466 617 G N 0.497 109.318 108.800 0.034 0.000 2.733 617 G HA2 0.598 4.556 3.960 -0.004 0.000 0.288 617 G HA3 0.598 4.556 3.960 -0.004 0.000 0.288 617 G C -1.693 173.031 174.900 -0.294 0.000 1.373 617 G CA -0.499 44.519 45.100 -0.137 0.000 0.895 617 G HN 0.414 nan 8.290 nan 0.000 0.479 618 V N -0.323 119.329 119.914 -0.437 0.000 2.925 618 V HA 0.762 4.880 4.120 -0.004 0.000 0.311 618 V C -1.461 174.421 176.094 -0.354 0.000 1.104 618 V CA -0.954 61.169 62.300 -0.294 0.000 0.954 618 V CB 1.969 33.715 31.823 -0.128 0.000 1.022 618 V HN 0.799 nan 8.190 nan 0.000 0.427 619 L N 6.366 127.482 121.223 -0.178 0.000 2.264 619 L HA 0.638 4.976 4.340 -0.004 0.000 0.289 619 L C -0.786 176.074 176.870 -0.016 0.000 1.044 619 L CA 0.275 55.082 54.840 -0.055 0.000 0.807 619 L CB 0.881 42.985 42.059 0.075 0.000 1.192 619 L HN 0.658 nan 8.230 nan 0.000 0.425 620 L N 4.581 125.805 121.223 0.002 0.000 2.330 620 L HA 0.594 4.932 4.340 -0.004 0.000 0.271 620 L C -0.324 176.562 176.870 0.026 0.000 1.013 620 L CA -0.825 54.022 54.840 0.012 0.000 0.816 620 L CB 1.705 43.773 42.059 0.015 0.000 1.287 620 L HN 0.537 nan 8.230 nan 0.000 0.435 621 K N 1.676 122.096 120.400 0.033 0.000 2.413 621 K HA 0.303 4.621 4.320 -0.004 0.000 0.257 621 K C -1.785 174.856 176.600 0.069 0.000 0.946 621 K CA -0.575 55.739 56.287 0.045 0.000 0.823 621 K CB 1.373 33.890 32.500 0.028 0.000 1.109 621 K HN 0.488 nan 8.250 nan 0.000 0.427 622 Y N 4.220 124.485 120.300 -0.057 0.000 2.342 622 Y HA 0.186 4.734 4.550 -0.004 0.000 0.338 622 Y C -0.581 175.292 175.900 -0.045 0.000 0.965 622 Y CA -0.706 57.358 58.100 -0.059 0.000 1.159 622 Y CB 0.996 39.402 38.460 -0.090 0.000 1.157 622 Y HN 0.596 nan 8.280 nan 0.000 0.486 623 D N 6.377 126.523 120.400 -0.424 0.000 2.336 623 D HA 0.041 4.679 4.640 -0.004 0.000 0.249 623 D C 1.308 177.276 176.300 -0.552 0.000 1.213 623 D CA 0.095 53.894 54.000 -0.335 0.000 0.870 623 D CB 1.487 42.149 40.800 -0.229 0.000 1.076 623 D HN 0.688 nan 8.370 nan 0.000 0.483 624 V N 3.369 123.144 119.914 -0.231 0.000 2.343 624 V HA -0.179 3.939 4.120 -0.004 0.000 0.247 624 V C 2.258 178.287 176.094 -0.108 0.000 1.051 624 V CA 0.940 63.196 62.300 -0.072 0.000 1.036 624 V CB -0.518 31.370 31.823 0.108 0.000 0.654 624 V HN 0.367 nan 8.190 nan 0.000 0.451 625 K N 1.410 121.752 120.400 -0.096 0.000 1.991 625 K HA -0.153 4.165 4.320 -0.004 0.000 0.212 625 K C 2.401 178.942 176.600 -0.098 0.000 1.049 625 K CA 2.667 58.912 56.287 -0.071 0.000 0.932 625 K CB -0.952 31.515 32.500 -0.055 0.000 0.717 625 K HN 0.813 nan 8.250 nan 0.000 0.441 626 T N -2.652 111.816 114.554 -0.144 0.000 3.065 626 T HA 0.159 4.507 4.350 -0.004 0.000 0.252 626 T C 0.728 175.312 174.700 -0.193 0.000 1.099 626 T CA 0.145 62.163 62.100 -0.137 0.000 1.063 626 T CB 0.188 68.987 68.868 -0.116 0.000 0.948 626 T HN 0.315 nan 8.240 nan 0.000 0.506 627 R N 0.030 120.306 120.500 -0.372 0.000 3.954 627 R HA -0.122 4.216 4.340 -0.004 0.000 0.422 627 R C 0.115 176.167 176.300 -0.413 0.000 1.091 627 R CA 1.071 56.852 56.100 -0.531 0.000 1.168 627 R CB -1.633 28.582 30.300 -0.142 0.000 1.752 627 R HN 0.538 nan 8.270 nan 0.000 0.547 628 K N 1.752 121.962 120.400 -0.317 0.000 2.298 628 K HA 0.270 4.588 4.320 -0.004 0.000 0.280 628 K C -0.345 176.160 176.600 -0.158 0.000 1.032 628 K CA -0.019 56.166 56.287 -0.171 0.000 0.958 628 K CB 0.945 33.373 32.500 -0.121 0.000 0.978 628 K HN -0.067 nan 8.250 nan 0.000 0.472 629 V N 4.058 123.944 119.914 -0.046 0.000 2.417 629 V HA 0.311 4.428 4.120 -0.004 0.000 0.291 629 V C -0.081 176.016 176.094 0.005 0.000 1.024 629 V CA -0.642 61.667 62.300 0.014 0.000 0.861 629 V CB 1.480 33.352 31.823 0.081 0.000 0.985 629 V HN 1.039 nan 8.190 nan 0.000 0.436 630 T N 0.698 115.254 114.554 0.003 0.000 2.906 630 T HA 0.606 4.954 4.350 -0.004 0.000 0.295 630 T C -0.694 174.005 174.700 -0.001 0.000 1.075 630 T CA -0.803 61.295 62.100 -0.004 0.000 1.005 630 T CB 2.182 71.041 68.868 -0.015 0.000 1.136 630 T HN 0.622 nan 8.240 nan 0.000 0.498 631 E N 0.701 120.895 120.200 -0.010 0.000 2.229 631 E HA 0.417 4.765 4.350 -0.004 0.000 0.283 631 E C 0.167 176.747 176.600 -0.034 0.000 1.030 631 E CA -0.627 55.761 56.400 -0.021 0.000 0.836 631 E CB 1.032 30.715 29.700 -0.028 0.000 1.068 631 E HN 0.507 nan 8.360 nan 0.000 0.401 632 V N 3.898 123.792 119.914 -0.033 0.000 2.949 632 V HA 0.133 4.251 4.120 -0.004 0.000 0.245 632 V C 0.258 176.278 176.094 -0.123 0.000 1.086 632 V CA 0.611 62.882 62.300 -0.048 0.000 1.097 632 V CB 0.139 31.972 31.823 0.017 0.000 0.762 632 V HN 0.536 nan 8.190 nan 0.000 0.470 633 K N 1.062 121.398 120.400 -0.108 0.000 2.572 633 K HA 0.398 4.715 4.320 -0.004 0.000 0.263 633 K C -1.369 175.164 176.600 -0.112 0.000 0.932 633 K CA -0.402 55.790 56.287 -0.158 0.000 0.838 633 K CB 1.529 33.906 32.500 -0.205 0.000 1.366 633 K HN 0.259 nan 8.250 nan 0.000 0.425 634 N N 1.075 119.705 118.700 -0.116 0.000 2.890 634 N HA 0.445 5.183 4.740 -0.004 0.000 0.317 634 N C -0.880 174.581 175.510 -0.081 0.000 1.355 634 N CA -0.513 52.481 53.050 -0.093 0.000 0.803 634 N CB 0.303 38.744 38.487 -0.076 0.000 1.465 634 N HN 0.697 nan 8.380 nan 0.000 0.591 635 N N -1.827 116.838 118.700 -0.057 0.000 2.725 635 N HA -0.161 4.576 4.740 -0.004 0.000 0.249 635 N C -1.037 174.475 175.510 0.002 0.000 1.103 635 N CA 0.263 53.293 53.050 -0.033 0.000 0.707 635 N CB -1.296 37.163 38.487 -0.047 0.000 1.043 635 N HN 0.414 nan 8.380 nan 0.000 0.553 636 L N -0.487 120.752 121.223 0.027 0.000 2.416 636 L HA 0.433 4.771 4.340 -0.004 0.000 0.262 636 L C 1.737 178.733 176.870 0.211 0.000 1.093 636 L CA 0.070 54.991 54.840 0.136 0.000 0.801 636 L CB 1.169 43.346 42.059 0.198 0.000 1.191 636 L HN 0.260 nan 8.230 nan 0.000 0.459 637 T N -4.672 110.041 114.554 0.265 0.000 3.046 637 T HA 0.241 4.589 4.350 -0.004 0.000 0.270 637 T C -0.230 174.615 174.700 0.242 0.000 0.920 637 T CA -0.240 62.002 62.100 0.236 0.000 0.874 637 T CB 0.456 69.416 68.868 0.153 0.000 1.214 637 T HN 0.532 nan 8.240 nan 0.000 0.536 638 D N -0.259 120.313 120.400 0.288 0.000 2.706 638 D HA 0.539 5.177 4.640 -0.004 0.000 0.227 638 D C -2.106 174.375 176.300 0.301 0.000 1.233 638 D CA -0.495 53.636 54.000 0.219 0.000 0.768 638 D CB 2.060 43.048 40.800 0.313 0.000 1.490 638 D HN 0.301 nan 8.370 nan 0.000 0.458 639 L N 1.974 123.290 121.223 0.156 0.000 2.464 639 L HA 0.701 5.039 4.340 -0.004 0.000 0.266 639 L C -1.493 175.427 176.870 0.084 0.000 0.965 639 L CA -0.581 54.384 54.840 0.208 0.000 0.833 639 L CB 1.514 43.723 42.059 0.250 0.000 1.296 639 L HN 0.276 nan 8.230 nan 0.000 0.405 640 R N 4.912 125.480 120.500 0.113 0.000 2.621 640 R HA 0.596 4.934 4.340 -0.004 0.000 0.292 640 R C -1.520 174.799 176.300 0.031 0.000 0.969 640 R CA -0.628 55.480 56.100 0.012 0.000 0.887 640 R CB 2.332 32.596 30.300 -0.061 0.000 1.180 640 R HN 0.650 nan 8.270 nan 0.000 0.450 641 L N 1.813 123.043 121.223 0.010 0.000 2.346 641 L HA 0.406 4.743 4.340 -0.004 0.000 0.276 641 L C 0.434 177.312 176.870 0.013 0.000 1.006 641 L CA -0.497 54.346 54.840 0.004 0.000 0.817 641 L CB 2.071 44.137 42.059 0.012 0.000 1.272 641 L HN 0.803 nan 8.230 nan 0.000 0.421 642 S N 2.773 118.479 115.700 0.009 0.000 2.600 642 S HA 0.233 4.701 4.470 -0.004 0.000 0.265 642 S C 1.169 175.788 174.600 0.032 0.000 1.325 642 S CA 0.072 58.287 58.200 0.026 0.000 1.002 642 S CB 1.520 64.734 63.200 0.023 0.000 0.921 642 S HN 0.780 nan 8.310 nan 0.000 0.554 643 A N 1.463 124.307 122.820 0.040 0.000 1.883 643 A HA -0.141 4.177 4.320 -0.004 0.000 0.217 643 A C 1.688 179.295 177.584 0.039 0.000 1.186 643 A CA 1.809 53.871 52.037 0.041 0.000 0.624 643 A CB -1.219 17.804 19.000 0.039 0.000 0.822 643 A HN 0.993 nan 8.150 nan 0.000 0.444 644 D N -1.836 118.585 120.400 0.035 0.000 2.336 644 D HA -0.002 4.636 4.640 -0.004 0.000 0.229 644 D C 0.697 177.015 176.300 0.030 0.000 1.061 644 D CA 0.169 54.188 54.000 0.033 0.000 0.875 644 D CB -0.562 40.256 40.800 0.030 0.000 0.904 644 D HN 0.499 nan 8.370 nan 0.000 0.525 645 R N -0.777 119.739 120.500 0.026 0.000 3.953 645 R HA -0.217 4.121 4.340 -0.004 0.000 0.340 645 R C 0.795 177.101 176.300 0.010 0.000 1.195 645 R CA 1.256 57.367 56.100 0.018 0.000 0.929 645 R CB -1.788 28.526 30.300 0.025 0.000 1.402 645 R HN 0.323 nan 8.270 nan 0.000 0.540 646 K N -0.304 120.101 120.400 0.008 0.000 2.242 646 K HA 0.075 4.393 4.320 -0.004 0.000 0.200 646 K C 0.469 177.057 176.600 -0.020 0.000 1.050 646 K CA 0.951 57.242 56.287 0.006 0.000 0.981 646 K CB 0.585 33.096 32.500 0.017 0.000 0.795 646 K HN 0.052 nan 8.250 nan 0.000 0.477 647 T N 1.304 115.837 114.554 -0.036 0.000 2.856 647 T HA 0.415 4.762 4.350 -0.004 0.000 0.283 647 T C -0.691 173.915 174.700 -0.156 0.000 1.008 647 T CA -0.656 61.392 62.100 -0.087 0.000 0.997 647 T CB 2.474 71.323 68.868 -0.033 0.000 0.992 647 T HN -0.273 nan 8.240 nan 0.000 0.454 648 V N 3.889 123.587 119.914 -0.360 0.000 2.495 648 V HA 0.539 4.657 4.120 -0.004 0.000 0.298 648 V C -0.333 175.556 176.094 -0.342 0.000 1.031 648 V CA -0.784 61.251 62.300 -0.442 0.000 0.871 648 V CB 1.709 32.999 31.823 -0.889 0.000 0.988 648 V HN 0.841 nan 8.190 nan 0.000 0.432 649 M N 5.268 124.854 119.600 -0.024 0.000 2.383 649 M HA 0.762 5.240 4.480 -0.004 0.000 0.325 649 M C -0.855 175.656 176.300 0.352 0.000 1.092 649 M CA -0.777 54.640 55.300 0.194 0.000 0.961 649 M CB 2.133 34.955 32.600 0.371 0.000 1.672 649 M HN 0.630 nan 8.290 nan 0.000 0.438 650 V N 0.710 120.829 119.914 0.342 0.000 3.130 650 V HA 0.832 4.950 4.120 -0.004 0.000 0.310 650 V C -1.313 174.893 176.094 0.187 0.000 1.158 650 V CA -1.013 61.508 62.300 0.370 0.000 1.029 650 V CB 2.226 34.287 31.823 0.397 0.000 1.057 650 V HN 0.956 nan 8.190 nan 0.000 0.436 651 R N 1.726 122.355 120.500 0.215 0.000 2.514 651 R HA 0.688 5.026 4.340 -0.004 0.000 0.301 651 R C -0.533 175.871 176.300 0.174 0.000 0.962 651 R CA -0.350 55.803 56.100 0.090 0.000 0.882 651 R CB 1.756 32.133 30.300 0.127 0.000 1.143 651 R HN 0.933 nan 8.270 nan 0.000 0.452 652 K N 1.568 122.068 120.400 0.167 0.000 2.245 652 K HA 0.175 4.493 4.320 -0.004 0.000 0.234 652 K C 0.182 176.837 176.600 0.092 0.000 1.021 652 K CA -0.574 55.783 56.287 0.117 0.000 0.898 652 K CB 0.997 33.535 32.500 0.063 0.000 1.163 652 K HN 0.807 nan 8.250 nan 0.000 0.459 653 D N 0.574 121.009 120.400 0.059 0.000 2.263 653 D HA -0.195 4.443 4.640 -0.004 0.000 0.208 653 D C 0.776 177.101 176.300 0.043 0.000 0.971 653 D CA 1.206 55.233 54.000 0.045 0.000 0.867 653 D CB -0.200 40.614 40.800 0.024 0.000 0.929 653 D HN 0.598 nan 8.370 nan 0.000 0.492 654 D N -0.427 120.007 120.400 0.057 0.000 2.363 654 D HA 0.069 4.707 4.640 -0.004 0.000 0.226 654 D C 1.771 178.096 176.300 0.041 0.000 1.020 654 D CA 0.885 54.917 54.000 0.053 0.000 0.892 654 D CB -0.374 40.475 40.800 0.081 0.000 0.900 654 D HN 0.383 nan 8.370 nan 0.000 0.531 655 G N -0.066 108.760 108.800 0.044 0.000 2.205 655 G HA2 -0.329 3.629 3.960 -0.004 0.000 0.261 655 G HA3 -0.329 3.629 3.960 -0.004 0.000 0.261 655 G C 0.242 175.121 174.900 -0.035 0.000 0.980 655 G CA 0.374 45.477 45.100 0.006 0.000 0.632 655 G HN 0.508 nan 8.290 nan 0.000 0.533 656 K N 0.057 120.453 120.400 -0.007 0.000 2.118 656 K HA 0.660 4.978 4.320 -0.004 0.000 0.264 656 K C 0.338 176.822 176.600 -0.193 0.000 1.000 656 K CA -0.618 55.575 56.287 -0.157 0.000 0.929 656 K CB 1.357 33.703 32.500 -0.256 0.000 1.021 656 K HN 0.229 nan 8.250 nan 0.000 0.463 657 I N 2.840 123.165 120.570 -0.408 0.000 2.353 657 I HA 0.217 4.385 4.170 -0.004 0.000 0.293 657 I C -0.748 175.120 176.117 -0.414 0.000 0.992 657 I CA -0.549 60.500 61.300 -0.418 0.000 1.268 657 I CB 0.410 38.063 38.000 -0.577 0.000 1.387 657 I HN 0.422 nan 8.210 nan 0.000 0.478 658 Y N 3.031 123.276 120.300 -0.092 0.000 2.570 658 Y HA 0.574 5.122 4.550 -0.003 0.000 0.345 658 Y C 0.274 176.239 175.900 0.109 0.000 1.014 658 Y CA -0.892 57.228 58.100 0.034 0.000 1.063 658 Y CB 2.193 40.711 38.460 0.097 0.000 1.272 658 Y HN 0.352 nan 8.280 nan 0.000 0.477 659 T N 2.911 117.659 114.554 0.323 0.000 2.916 659 T HA 0.739 5.086 4.350 -0.004 0.000 0.298 659 T C -1.769 173.119 174.700 0.314 0.000 1.031 659 T CA -0.557 61.672 62.100 0.216 0.000 0.993 659 T CB 0.230 69.163 68.868 0.109 0.000 1.045 659 T HN 0.491 nan 8.240 nan 0.000 0.454 660 F N 2.297 122.309 119.950 0.104 0.000 2.619 660 F HA 0.811 5.336 4.527 -0.003 0.000 0.308 660 F C -3.293 172.549 175.800 0.070 0.000 1.097 660 F CA -2.864 55.183 58.000 0.079 0.000 0.953 660 F CB 0.439 39.478 39.000 0.065 0.000 1.287 660 F HN 0.260 nan 8.300 nan 0.000 0.446 661 P HA 0.201 nan 4.420 nan 0.000 0.276 661 P C 0.832 178.215 177.300 0.138 0.000 1.230 661 P CA -0.263 62.887 63.100 0.084 0.000 0.776 661 P CB 1.288 33.050 31.700 0.103 0.000 0.888 662 L N 2.990 124.236 121.223 0.038 0.000 2.261 662 L HA -0.201 4.137 4.340 -0.004 0.000 0.216 662 L C 1.955 178.903 176.870 0.130 0.000 1.114 662 L CA 1.502 56.397 54.840 0.090 0.000 0.777 662 L CB -0.211 41.866 42.059 0.029 0.000 0.910 662 L HN 0.398 nan 8.230 nan 0.000 0.440 663 E N 0.150 120.410 120.200 0.100 0.000 2.112 663 E HA -0.211 4.136 4.350 -0.004 0.000 0.190 663 E C 0.832 177.487 176.600 0.092 0.000 0.979 663 E CA 0.731 57.180 56.400 0.082 0.000 0.814 663 E CB -0.079 29.657 29.700 0.059 0.000 0.762 663 E HN 0.331 nan 8.360 nan 0.000 0.460 664 K N 1.849 122.322 120.400 0.122 0.000 2.827 664 K HA 0.201 4.519 4.320 -0.004 0.000 0.186 664 K C -2.155 174.534 176.600 0.149 0.000 1.093 664 K CA -1.764 54.586 56.287 0.104 0.000 0.993 664 K CB 1.452 33.998 32.500 0.076 0.000 1.199 664 K HN -0.226 nan 8.250 nan 0.000 0.598 665 P HA -0.204 nan 4.420 nan 0.000 0.229 665 P C 0.582 177.796 177.300 -0.143 0.000 1.150 665 P CA 0.998 64.118 63.100 0.033 0.000 0.765 665 P CB 0.377 31.999 31.700 -0.130 0.000 0.783 666 E N 0.417 120.593 120.200 -0.039 0.000 2.158 666 E HA -0.081 4.267 4.350 -0.004 0.000 0.191 666 E C 0.259 176.858 176.600 -0.002 0.000 0.982 666 E CA 0.318 56.688 56.400 -0.049 0.000 0.823 666 E CB -0.127 29.559 29.700 -0.024 0.000 0.766 666 E HN 0.116 nan 8.360 nan 0.000 0.468 667 D N 2.368 122.802 120.400 0.056 0.000 2.688 667 D HA 0.010 4.648 4.640 -0.004 0.000 0.228 667 D C -0.620 175.766 176.300 0.143 0.000 1.116 667 D CA 0.297 54.348 54.000 0.086 0.000 1.023 667 D CB 0.085 40.940 40.800 0.092 0.000 1.100 667 D HN 0.288 nan 8.370 nan 0.000 0.487 668 E N 1.466 121.735 120.200 0.115 0.000 2.216 668 E HA 0.362 4.710 4.350 -0.004 0.000 0.279 668 E C -0.526 176.189 176.600 0.192 0.000 0.997 668 E CA -0.681 55.829 56.400 0.183 0.000 0.817 668 E CB 1.013 30.743 29.700 0.049 0.000 1.096 668 E HN 0.069 nan 8.360 nan 0.000 0.393 669 R N 1.882 122.522 120.500 0.233 0.000 2.750 669 R HA 0.364 4.702 4.340 -0.004 0.000 0.281 669 R C -0.954 175.427 176.300 0.134 0.000 0.972 669 R CA -0.676 55.519 56.100 0.160 0.000 0.912 669 R CB 2.245 32.606 30.300 0.101 0.000 1.187 669 R HN 0.428 nan 8.270 nan 0.000 0.464 670 T N 1.621 116.171 114.554 -0.005 0.000 2.856 670 T HA 0.229 4.577 4.350 -0.004 0.000 0.292 670 T C -0.085 174.480 174.700 -0.225 0.000 0.980 670 T CA -0.532 61.390 62.100 -0.298 0.000 1.091 670 T CB 1.111 69.776 68.868 -0.338 0.000 0.936 670 T HN 0.117 nan 8.240 nan 0.000 0.503 671 V N 4.386 124.122 119.914 -0.296 0.000 2.406 671 V HA 0.245 4.363 4.120 -0.004 0.000 0.272 671 V C 0.279 176.220 176.094 -0.256 0.000 1.043 671 V CA -0.578 61.592 62.300 -0.216 0.000 0.915 671 V CB 0.909 32.605 31.823 -0.212 0.000 0.988 671 V HN 0.757 nan 8.190 nan 0.000 0.466 672 E N 3.107 123.191 120.200 -0.195 0.000 2.175 672 E HA 0.378 4.726 4.350 -0.004 0.000 0.278 672 E C 0.670 177.134 176.600 -0.226 0.000 0.969 672 E CA -0.123 56.157 56.400 -0.200 0.000 0.796 672 E CB 1.935 31.551 29.700 -0.140 0.000 1.104 672 E HN 0.833 nan 8.360 nan 0.000 0.395 673 T N -1.914 112.462 114.554 -0.297 0.000 3.043 673 T HA 0.128 4.476 4.350 -0.004 0.000 0.272 673 T C 0.153 174.717 174.700 -0.228 0.000 0.990 673 T CA -0.318 61.558 62.100 -0.374 0.000 0.897 673 T CB 0.189 68.576 68.868 -0.801 0.000 1.111 673 T HN 0.074 nan 8.240 nan 0.000 0.529 674 D N 1.104 121.400 120.400 -0.173 0.000 2.463 674 D HA 0.246 4.883 4.640 -0.004 0.000 0.224 674 D C 1.306 177.552 176.300 -0.089 0.000 1.174 674 D CA -0.093 53.836 54.000 -0.118 0.000 0.829 674 D CB 0.664 41.400 40.800 -0.106 0.000 0.993 674 D HN 0.380 nan 8.370 nan 0.000 0.497 675 K N 0.572 120.918 120.400 -0.090 0.000 2.167 675 K HA 0.013 4.330 4.320 -0.004 0.000 0.203 675 K C 0.895 177.457 176.600 -0.063 0.000 1.052 675 K CA 0.372 56.615 56.287 -0.073 0.000 0.956 675 K CB 0.608 33.061 32.500 -0.078 0.000 0.735 675 K HN -0.058 nan 8.250 nan 0.000 0.451 676 R N 1.687 122.146 120.500 -0.068 0.000 2.310 676 R HA 0.262 4.600 4.340 -0.004 0.000 0.324 676 R C -2.740 173.522 176.300 -0.064 0.000 0.955 676 R CA -2.110 53.956 56.100 -0.057 0.000 0.830 676 R CB 1.284 31.553 30.300 -0.052 0.000 1.154 676 R HN -0.116 nan 8.270 nan 0.000 0.458 677 P HA 0.017 nan 4.420 nan 0.000 0.269 677 P C -0.886 176.406 177.300 -0.013 0.000 1.215 677 P CA -0.493 62.595 63.100 -0.019 0.000 0.780 677 P CB 0.517 32.213 31.700 -0.006 0.000 0.898 678 L N 2.831 124.061 121.223 0.011 0.000 2.349 678 L HA 0.261 4.599 4.340 -0.004 0.000 0.275 678 L C -0.358 176.535 176.870 0.038 0.000 1.115 678 L CA 0.009 54.878 54.840 0.048 0.000 0.820 678 L CB 1.020 43.130 42.059 0.084 0.000 1.135 678 L HN 0.094 nan 8.230 nan 0.000 0.445 679 V N 3.368 123.311 119.914 0.049 0.000 2.495 679 V HA 0.827 4.945 4.120 -0.004 0.000 0.298 679 V C -0.286 175.797 176.094 -0.019 0.000 1.031 679 V CA -0.337 61.967 62.300 0.008 0.000 0.871 679 V CB 1.690 33.520 31.823 0.011 0.000 0.988 679 V HN 0.938 nan 8.190 nan 0.000 0.432 680 S N 2.441 118.106 115.700 -0.058 0.000 2.656 680 S HA 0.701 5.168 4.470 -0.004 0.000 0.273 680 S C -0.747 173.772 174.600 -0.135 0.000 1.168 680 S CA -0.687 57.455 58.200 -0.098 0.000 0.817 680 S CB 1.914 65.046 63.200 -0.113 0.000 1.146 680 S HN 0.834 nan 8.310 nan 0.000 0.475 681 S N -0.017 115.567 115.700 -0.193 0.000 2.437 681 S HA 0.533 5.001 4.470 -0.004 0.000 0.305 681 S C 0.940 175.330 174.600 -0.351 0.000 1.109 681 S CA -1.010 57.028 58.200 -0.269 0.000 1.099 681 S CB 0.023 62.990 63.200 -0.388 0.000 1.004 681 S HN 0.650 nan 8.310 nan 0.000 0.475 682 I N 4.304 124.660 120.570 -0.357 0.000 2.127 682 I HA -0.206 3.962 4.170 -0.004 0.000 0.241 682 I C 2.612 178.351 176.117 -0.631 0.000 1.075 682 I CA 1.657 62.608 61.300 -0.582 0.000 1.334 682 I CB -0.537 37.087 38.000 -0.626 0.000 1.040 682 I HN 0.873 nan 8.210 nan 0.000 0.405 683 H N 1.616 120.472 119.070 -0.357 0.000 2.387 683 H HA -0.206 4.348 4.556 -0.004 0.000 0.299 683 H C 1.848 177.133 175.328 -0.073 0.000 1.090 683 H CA 1.745 57.680 56.048 -0.189 0.000 1.332 683 H CB -0.651 29.049 29.762 -0.103 0.000 1.386 683 H HN 0.605 nan 8.280 nan 0.000 0.516 684 E N 1.407 121.240 120.200 -0.610 0.000 2.072 684 E HA -0.173 4.174 4.350 -0.004 0.000 0.191 684 E C 2.000 178.539 176.600 -0.101 0.000 0.985 684 E CA 1.184 57.403 56.400 -0.301 0.000 0.801 684 E CB -0.253 29.238 29.700 -0.349 0.000 0.750 684 E HN 0.619 nan 8.360 nan 0.000 0.452 685 E N -0.116 120.008 120.200 -0.126 0.000 2.077 685 E HA -0.133 4.215 4.350 -0.004 0.000 0.193 685 E C 1.864 178.591 176.600 0.211 0.000 0.989 685 E CA 0.944 57.345 56.400 0.003 0.000 0.800 685 E CB -0.169 29.503 29.700 -0.046 0.000 0.746 685 E HN 0.279 nan 8.360 nan 0.000 0.452 686 F N 0.867 120.804 119.950 -0.023 0.000 2.171 686 F HA -0.135 4.390 4.527 -0.004 0.000 0.300 686 F C 2.199 178.043 175.800 0.074 0.000 1.090 686 F CA 0.713 58.725 58.000 0.021 0.000 1.293 686 F CB -0.789 38.224 39.000 0.021 0.000 1.013 686 F HN 0.055 nan 8.300 nan 0.000 0.486 687 L N -0.381 121.002 121.223 0.266 0.000 2.044 687 L HA -0.190 4.147 4.340 -0.004 0.000 0.205 687 L C 2.668 179.662 176.870 0.206 0.000 1.075 687 L CA 1.285 56.254 54.840 0.215 0.000 0.747 687 L CB -0.442 41.714 42.059 0.162 0.000 0.903 687 L HN 0.127 nan 8.230 nan 0.000 0.435 688 Q N 0.014 119.902 119.800 0.145 0.000 2.124 688 Q HA -0.235 4.103 4.340 -0.004 0.000 0.202 688 Q C 2.076 178.144 176.000 0.114 0.000 0.977 688 Q CA 1.836 57.704 55.803 0.108 0.000 0.850 688 Q CB -0.059 28.710 28.738 0.052 0.000 0.901 688 Q HN 0.543 nan 8.270 nan 0.000 0.429 689 M N -1.083 118.594 119.600 0.129 0.000 2.156 689 M HA -0.148 4.330 4.480 -0.004 0.000 0.264 689 M C 2.002 178.369 176.300 0.112 0.000 1.067 689 M CA 1.297 56.656 55.300 0.098 0.000 1.131 689 M CB -0.454 32.191 32.600 0.075 0.000 1.368 689 M HN 0.167 nan 8.290 nan 0.000 0.416 690 Y N 1.538 121.878 120.300 0.066 0.000 2.145 690 Y HA -0.273 4.274 4.550 -0.004 0.000 0.286 690 Y C 1.878 177.885 175.900 0.178 0.000 1.145 690 Y CA 1.850 59.997 58.100 0.080 0.000 1.148 690 Y CB -0.407 38.074 38.460 0.034 0.000 0.981 690 Y HN 0.196 nan 8.280 nan 0.000 0.507 691 D N 0.285 120.753 120.400 0.114 0.000 2.116 691 D HA -0.230 4.408 4.640 -0.004 0.000 0.193 691 D C 2.099 178.502 176.300 0.172 0.000 0.998 691 D CA 1.892 55.987 54.000 0.158 0.000 0.836 691 D CB -0.378 40.554 40.800 0.220 0.000 0.951 691 D HN 0.628 nan 8.370 nan 0.000 0.449 692 E N 0.054 120.318 120.200 0.106 0.000 2.106 692 E HA -0.126 4.222 4.350 -0.004 0.000 0.192 692 E C 1.966 178.593 176.600 0.046 0.000 0.984 692 E CA 1.031 57.479 56.400 0.080 0.000 0.806 692 E CB -0.009 29.718 29.700 0.046 0.000 0.750 692 E HN 0.194 nan 8.360 nan 0.000 0.458 693 A N 0.476 123.301 122.820 0.008 0.000 1.902 693 A HA -0.195 4.122 4.320 -0.004 0.000 0.217 693 A C 1.909 179.472 177.584 -0.034 0.000 1.181 693 A CA 1.429 53.452 52.037 -0.024 0.000 0.623 693 A CB -1.169 17.811 19.000 -0.032 0.000 0.818 693 A HN 0.688 nan 8.150 nan 0.000 0.443 694 W N 0.866 122.003 121.300 -0.271 0.000 2.355 694 W HA -0.177 4.481 4.660 -0.004 0.000 0.309 694 W C 2.193 178.680 176.519 -0.053 0.000 1.206 694 W CA 2.130 59.360 57.345 -0.191 0.000 1.284 694 W CB -0.059 29.222 29.460 -0.297 0.000 1.145 694 W HN 0.279 nan 8.180 nan 0.000 0.502 695 K N 0.110 120.551 120.400 0.067 0.000 2.097 695 K HA -0.183 4.134 4.320 -0.004 0.000 0.205 695 K C 2.060 178.546 176.600 -0.190 0.000 1.050 695 K CA 1.832 58.045 56.287 -0.124 0.000 0.938 695 K CB -0.502 32.074 32.500 0.127 0.000 0.718 695 K HN 0.288 nan 8.250 nan 0.000 0.442 696 L N 0.484 121.639 121.223 -0.113 0.000 2.027 696 L HA -0.128 4.210 4.340 -0.004 0.000 0.206 696 L C 2.639 179.386 176.870 -0.205 0.000 1.074 696 L CA 1.223 55.996 54.840 -0.110 0.000 0.745 696 L CB -0.543 41.485 42.059 -0.053 0.000 0.898 696 L HN 0.299 nan 8.230 nan 0.000 0.433 697 A N -0.051 122.604 122.820 -0.275 0.000 1.908 697 A HA -0.274 4.044 4.320 -0.004 0.000 0.218 697 A C 2.440 179.690 177.584 -0.557 0.000 1.181 697 A CA 2.036 53.795 52.037 -0.463 0.000 0.627 697 A CB -0.608 18.121 19.000 -0.453 0.000 0.818 697 A HN 0.366 nan 8.150 nan 0.000 0.445 698 R N -0.559 119.670 120.500 -0.451 0.000 2.055 698 R HA -0.143 4.195 4.340 -0.004 0.000 0.228 698 R C 1.536 177.699 176.300 -0.229 0.000 1.143 698 R CA 1.750 57.647 56.100 -0.339 0.000 0.945 698 R CB -0.434 29.534 30.300 -0.553 0.000 0.841 698 R HN 0.412 nan 8.270 nan 0.000 0.429 699 D N 0.451 120.715 120.400 -0.227 0.000 2.149 699 D HA -0.138 4.500 4.640 -0.004 0.000 0.198 699 D C 1.117 177.326 176.300 -0.151 0.000 0.990 699 D CA 1.140 55.045 54.000 -0.158 0.000 0.839 699 D CB -0.222 40.509 40.800 -0.115 0.000 0.948 699 D HN 0.289 nan 8.370 nan 0.000 0.460 700 N N -0.729 117.873 118.700 -0.163 0.000 2.254 700 N HA -0.065 4.673 4.740 -0.004 0.000 0.190 700 N C 0.146 175.544 175.510 -0.188 0.000 1.107 700 N CA -0.219 52.724 53.050 -0.178 0.000 0.869 700 N CB 0.060 38.453 38.487 -0.157 0.000 0.983 700 N HN 0.198 nan 8.380 nan 0.000 0.487 701 Y N 2.667 122.784 120.300 -0.305 0.000 2.805 701 Y HA -0.171 4.377 4.550 -0.004 0.000 0.337 701 Y C 1.765 177.545 175.900 -0.200 0.000 1.252 701 Y CA -0.490 57.447 58.100 -0.273 0.000 1.515 701 Y CB 0.420 38.707 38.460 -0.287 0.000 1.305 701 Y HN 0.207 nan 8.280 nan 0.000 0.600 702 W N 4.903 125.625 121.300 -0.962 0.000 2.363 702 W HA -0.196 4.462 4.660 -0.003 0.000 0.296 702 W C -0.528 175.671 176.519 -0.534 0.000 1.212 702 W CA 1.129 58.049 57.345 -0.708 0.000 1.260 702 W CB -0.534 28.530 29.460 -0.660 0.000 1.131 702 W HN 0.631 nan 8.180 nan 0.000 0.530 703 N N 1.928 119.699 118.700 -1.547 0.000 2.609 703 N HA 0.015 4.753 4.740 -0.004 0.000 0.234 703 N C 1.016 176.250 175.510 -0.461 0.000 1.001 703 N CA -0.047 52.278 53.050 -1.208 0.000 0.926 703 N CB 0.845 38.288 38.487 -1.740 0.000 1.130 703 N HN 0.092 nan 8.380 nan 0.000 0.510 704 E N 3.406 123.412 120.200 -0.322 0.000 2.085 704 E HA -0.253 4.095 4.350 -0.004 0.000 0.194 704 E C 1.673 178.189 176.600 -0.140 0.000 0.994 704 E CA 1.426 57.719 56.400 -0.178 0.000 0.801 704 E CB 0.041 29.644 29.700 -0.163 0.000 0.743 704 E HN 0.768 nan 8.360 nan 0.000 0.453 705 A N 0.530 123.247 122.820 -0.171 0.000 1.873 705 A HA -0.203 4.115 4.320 -0.004 0.000 0.218 705 A C 2.427 179.949 177.584 -0.102 0.000 1.193 705 A CA 1.924 53.885 52.037 -0.126 0.000 0.629 705 A CB -0.900 18.019 19.000 -0.135 0.000 0.826 705 A HN 0.243 nan 8.150 nan 0.000 0.447 706 V N -0.222 119.621 119.914 -0.118 0.000 2.515 706 V HA -0.199 3.919 4.120 -0.004 0.000 0.250 706 V C 3.008 179.060 176.094 -0.071 0.000 1.058 706 V CA 1.727 63.980 62.300 -0.079 0.000 1.064 706 V CB -1.277 30.517 31.823 -0.048 0.000 0.675 706 V HN 0.641 nan 8.190 nan 0.000 0.461 707 A N 0.033 122.853 122.820 -0.000 0.000 1.940 707 A HA -0.293 4.025 4.320 -0.004 0.000 0.219 707 A C 2.347 179.903 177.584 -0.047 0.000 1.176 707 A CA 2.305 54.358 52.037 0.026 0.000 0.631 707 A CB -0.475 18.571 19.000 0.077 0.000 0.814 707 A HN 0.546 nan 8.150 nan 0.000 0.446 708 K N -0.549 119.819 120.400 -0.052 0.000 2.026 708 K HA -0.201 4.117 4.320 -0.004 0.000 0.208 708 K C 2.164 178.752 176.600 -0.020 0.000 1.048 708 K CA 1.561 57.825 56.287 -0.038 0.000 0.929 708 K CB -0.178 32.302 32.500 -0.033 0.000 0.713 708 K HN 0.455 nan 8.250 nan 0.000 0.439 709 E N 1.074 121.251 120.200 -0.037 0.000 2.077 709 E HA -0.177 4.170 4.350 -0.004 0.000 0.193 709 E C 2.017 178.591 176.600 -0.043 0.000 0.989 709 E CA 1.272 57.656 56.400 -0.028 0.000 0.800 709 E CB -0.110 29.567 29.700 -0.037 0.000 0.746 709 E HN 0.418 nan 8.360 nan 0.000 0.452 710 I N 1.202 121.691 120.570 -0.135 0.000 2.163 710 I HA -0.277 3.891 4.170 -0.004 0.000 0.240 710 I C 2.769 178.807 176.117 -0.132 0.000 1.081 710 I CA 1.360 62.513 61.300 -0.245 0.000 1.353 710 I CB -0.467 37.152 38.000 -0.635 0.000 1.054 710 I HN 0.131 nan 8.210 nan 0.000 0.407 711 S N 0.714 116.364 115.700 -0.084 0.000 2.370 711 S HA -0.241 4.227 4.470 -0.004 0.000 0.226 711 S C 1.784 176.695 174.600 0.519 0.000 1.033 711 S CA 1.432 59.711 58.200 0.133 0.000 1.011 711 S CB -0.675 62.397 63.200 -0.215 0.000 0.852 711 S HN 0.497 nan 8.310 nan 0.000 0.457 712 E N 0.852 121.247 120.200 0.325 0.000 2.204 712 E HA -0.065 4.283 4.350 -0.004 0.000 0.194 712 E C 2.344 179.094 176.600 0.250 0.000 0.989 712 E CA 0.665 57.254 56.400 0.315 0.000 0.824 712 E CB -0.155 29.650 29.700 0.175 0.000 0.756 712 E HN 0.564 nan 8.360 nan 0.000 0.477 713 R N 1.209 121.821 120.500 0.186 0.000 2.119 713 R HA -0.041 4.296 4.340 -0.004 0.000 0.222 713 R C 2.321 178.733 176.300 0.186 0.000 1.088 713 R CA 0.888 57.072 56.100 0.139 0.000 0.984 713 R CB 0.025 30.371 30.300 0.077 0.000 0.884 713 R HN 0.279 nan 8.270 nan 0.000 0.447 714 I N -3.147 117.594 120.570 0.285 0.000 3.854 714 I HA 0.050 4.218 4.170 -0.004 0.000 0.312 714 I C 1.733 178.126 176.117 0.460 0.000 1.273 714 I CA -0.039 61.486 61.300 0.374 0.000 1.298 714 I CB -0.357 37.899 38.000 0.427 0.000 1.071 714 I HN -0.022 nan 8.210 nan 0.000 0.428 715 Y N 2.677 123.195 120.300 0.364 0.000 2.040 715 Y HA -0.365 4.183 4.550 -0.004 0.000 0.275 715 Y C 2.690 178.642 175.900 0.086 0.000 1.171 715 Y CA 2.720 60.883 58.100 0.105 0.000 1.123 715 Y CB -0.171 38.115 38.460 -0.291 0.000 0.963 715 Y HN 0.333 nan 8.280 nan 0.000 0.493 716 E N 0.323 120.551 120.200 0.047 0.000 2.051 716 E HA -0.305 4.043 4.350 -0.004 0.000 0.192 716 E C 2.362 178.873 176.600 -0.148 0.000 0.991 716 E CA 1.530 57.886 56.400 -0.073 0.000 0.799 716 E CB -0.331 29.398 29.700 0.048 0.000 0.748 716 E HN 0.522 nan 8.360 nan 0.000 0.449 717 K N -0.309 120.012 120.400 -0.133 0.000 2.077 717 K HA -0.245 4.073 4.320 -0.004 0.000 0.213 717 K C 1.849 178.282 176.600 -0.277 0.000 1.051 717 K CA 2.131 58.257 56.287 -0.269 0.000 0.929 717 K CB -0.365 31.857 32.500 -0.465 0.000 0.715 717 K HN 0.260 nan 8.250 nan 0.000 0.451 718 Y N -0.214 120.098 120.300 0.020 0.000 2.448 718 Y HA 0.084 4.632 4.550 -0.003 0.000 0.289 718 Y C 2.499 178.045 175.900 -0.589 0.000 1.114 718 Y CA 0.375 58.418 58.100 -0.095 0.000 1.235 718 Y CB 0.021 38.545 38.460 0.106 0.000 1.045 718 Y HN 0.046 nan 8.280 nan 0.000 0.554 719 R N 1.134 121.239 120.500 -0.658 0.000 2.152 719 R HA -0.147 4.191 4.340 -0.004 0.000 0.232 719 R C 0.955 176.989 176.300 -0.443 0.000 1.117 719 R CA 1.152 56.716 56.100 -0.892 0.000 0.981 719 R CB -0.309 29.499 30.300 -0.821 0.000 0.870 719 R HN 0.354 nan 8.270 nan 0.000 0.451 720 N N 0.737 119.276 118.700 -0.268 0.000 2.396 720 N HA -0.073 4.664 4.740 -0.004 0.000 0.180 720 N C 1.630 177.057 175.510 -0.138 0.000 1.028 720 N CA 0.682 53.644 53.050 -0.146 0.000 0.893 720 N CB -0.014 38.435 38.487 -0.063 0.000 0.967 720 N HN 0.298 nan 8.380 nan 0.000 0.440 721 L N -0.154 120.967 121.223 -0.171 0.000 2.446 721 L HA 0.066 4.403 4.340 -0.004 0.000 0.219 721 L C 1.911 178.697 176.870 -0.141 0.000 1.116 721 L CA 0.072 54.818 54.840 -0.156 0.000 0.844 721 L CB -0.054 41.913 42.059 -0.153 0.000 0.970 721 L HN -0.099 nan 8.230 nan 0.000 0.457 722 V N 1.164 120.959 119.914 -0.199 0.000 2.282 722 V HA -0.184 3.934 4.120 -0.004 0.000 0.249 722 V C -0.069 176.026 176.094 0.001 0.000 1.057 722 V CA 2.117 64.342 62.300 -0.125 0.000 1.032 722 V CB -1.688 30.024 31.823 -0.186 0.000 0.645 722 V HN 0.404 nan 8.190 nan 0.000 0.447 723 P HA -0.100 nan 4.420 nan 0.000 0.225 723 P C 1.614 178.915 177.300 0.002 0.000 1.148 723 P CA 1.233 64.335 63.100 0.004 0.000 0.779 723 P CB -0.050 31.630 31.700 -0.034 0.000 0.780 724 L N -1.230 119.981 121.223 -0.020 0.000 2.395 724 L HA 0.035 4.373 4.340 -0.004 0.000 0.218 724 L C 1.221 178.104 176.870 0.022 0.000 1.130 724 L CA 0.136 54.959 54.840 -0.028 0.000 0.826 724 L CB -0.756 41.260 42.059 -0.072 0.000 0.941 724 L HN -0.078 nan 8.230 nan 0.000 0.451 725 C N 0.878 120.224 119.300 0.078 0.000 2.585 725 C HA 0.141 4.599 4.460 -0.004 0.000 0.406 725 C C 1.527 176.704 174.990 0.310 0.000 1.312 725 C CA -0.330 58.788 59.018 0.168 0.000 1.924 725 C CB 0.700 28.516 27.740 0.126 0.000 2.578 725 C HN 0.307 nan 8.230 nan 0.000 0.580 726 K N 0.394 120.966 120.400 0.286 0.000 2.435 726 K HA 0.129 4.447 4.320 -0.004 0.000 0.199 726 K C 0.902 177.695 176.600 0.321 0.000 1.153 726 K CA 0.416 56.843 56.287 0.233 0.000 0.974 726 K CB 0.391 32.969 32.500 0.130 0.000 0.997 726 K HN 0.885 nan 8.250 nan 0.000 0.547 727 T N -2.904 111.887 114.554 0.396 0.000 2.916 727 T HA 0.397 4.745 4.350 -0.004 0.000 0.292 727 T C 0.760 175.653 174.700 0.322 0.000 1.064 727 T CA -0.842 61.480 62.100 0.370 0.000 1.011 727 T CB 2.113 71.140 68.868 0.266 0.000 1.152 727 T HN -0.150 nan 8.240 nan 0.000 0.510 728 R N -0.225 120.411 120.500 0.226 0.000 2.120 728 R HA -0.071 4.266 4.340 -0.004 0.000 0.234 728 R C 1.786 178.065 176.300 -0.034 0.000 1.123 728 R CA 1.522 57.536 56.100 -0.144 0.000 0.975 728 R CB -1.416 28.623 30.300 -0.434 0.000 0.866 728 R HN 0.775 nan 8.270 nan 0.000 0.446 729 Y N 1.084 121.486 120.300 0.171 0.000 2.200 729 Y HA -0.158 4.390 4.550 -0.004 0.000 0.290 729 Y C 1.506 177.483 175.900 0.129 0.000 1.137 729 Y CA 1.996 60.279 58.100 0.306 0.000 1.163 729 Y CB -0.290 38.327 38.460 0.262 0.000 0.988 729 Y HN 0.150 nan 8.280 nan 0.000 0.518 730 D N 0.162 120.597 120.400 0.058 0.000 2.104 730 D HA -0.244 4.393 4.640 -0.004 0.000 0.194 730 D C 2.441 178.641 176.300 -0.167 0.000 0.994 730 D CA 1.440 55.408 54.000 -0.052 0.000 0.830 730 D CB -0.668 40.163 40.800 0.052 0.000 0.959 730 D HN 0.381 nan 8.370 nan 0.000 0.452 731 L N 0.550 121.599 121.223 -0.290 0.000 2.079 731 L HA -0.209 4.129 4.340 -0.004 0.000 0.210 731 L C 2.404 179.151 176.870 -0.204 0.000 1.081 731 L CA 1.314 55.915 54.840 -0.398 0.000 0.752 731 L CB -0.274 41.260 42.059 -0.875 0.000 0.896 731 L HN 0.034 nan 8.230 nan 0.000 0.433 732 S N 0.134 115.751 115.700 -0.139 0.000 2.356 732 S HA -0.230 4.237 4.470 -0.004 0.000 0.223 732 S C 1.573 176.110 174.600 -0.105 0.000 1.032 732 S CA 2.001 60.179 58.200 -0.037 0.000 1.005 732 S CB -0.293 62.988 63.200 0.135 0.000 0.867 732 S HN 0.542 nan 8.310 nan 0.000 0.449 733 N N 0.500 119.069 118.700 -0.218 0.000 2.104 733 N HA -0.081 4.656 4.740 -0.004 0.000 0.190 733 N C 1.635 177.107 175.510 -0.063 0.000 1.024 733 N CA 1.580 54.529 53.050 -0.168 0.000 0.853 733 N CB -0.381 37.981 38.487 -0.208 0.000 1.008 733 N HN 0.281 nan 8.380 nan 0.000 0.424 734 V N 0.771 120.654 119.914 -0.053 0.000 2.283 734 V HA -0.126 3.992 4.120 -0.004 0.000 0.243 734 V C 2.076 178.184 176.094 0.023 0.000 1.039 734 V CA 1.238 63.550 62.300 0.020 0.000 1.016 734 V CB -0.449 31.371 31.823 -0.005 0.000 0.650 734 V HN 0.292 nan 8.190 nan 0.000 0.449 735 I N -0.094 120.505 120.570 0.048 0.000 2.208 735 I HA -0.225 3.943 4.170 -0.004 0.000 0.245 735 I C 2.396 178.513 176.117 0.000 0.000 1.097 735 I CA 1.338 62.685 61.300 0.078 0.000 1.363 735 I CB -0.337 37.703 38.000 0.067 0.000 1.051 735 I HN 0.158 nan 8.210 nan 0.000 0.413 736 V N 0.497 120.409 119.914 -0.003 0.000 2.343 736 V HA -0.238 3.879 4.120 -0.004 0.000 0.247 736 V C 2.474 178.550 176.094 -0.030 0.000 1.051 736 V CA 1.680 63.993 62.300 0.021 0.000 1.036 736 V CB -0.615 31.238 31.823 0.049 0.000 0.654 736 V HN 0.402 nan 8.190 nan 0.000 0.451 737 E N 0.139 120.272 120.200 -0.113 0.000 2.077 737 E HA -0.266 4.082 4.350 -0.004 0.000 0.193 737 E C 2.201 178.486 176.600 -0.524 0.000 0.989 737 E CA 1.950 58.217 56.400 -0.223 0.000 0.800 737 E CB -0.375 29.269 29.700 -0.094 0.000 0.746 737 E HN 0.738 nan 8.360 nan 0.000 0.452 738 M N 0.546 119.683 119.600 -0.772 0.000 2.175 738 M HA -0.122 4.356 4.480 -0.004 0.000 0.264 738 M C 1.848 178.070 176.300 -0.130 0.000 1.063 738 M CA 1.673 56.569 55.300 -0.673 0.000 1.119 738 M CB -0.419 32.005 32.600 -0.294 0.000 1.377 738 M HN -0.112 nan 8.290 nan 0.000 0.415 739 Q N 0.402 120.177 119.800 -0.042 0.000 2.124 739 Q HA -0.037 4.301 4.340 -0.004 0.000 0.202 739 Q C 2.162 178.227 176.000 0.108 0.000 0.977 739 Q CA 1.413 57.261 55.803 0.075 0.000 0.850 739 Q CB -0.639 28.130 28.738 0.052 0.000 0.901 739 Q HN 0.817 nan 8.270 nan 0.000 0.429 740 G N 0.767 109.585 108.800 0.030 0.000 2.509 740 G HA2 -0.214 3.744 3.960 -0.004 0.000 0.218 740 G HA3 -0.214 3.744 3.960 -0.004 0.000 0.218 740 G C 1.122 176.024 174.900 0.004 0.000 1.124 740 G CA 0.254 45.370 45.100 0.028 0.000 0.776 740 G HN 0.203 nan 8.290 nan 0.000 0.547 741 E N 0.070 120.246 120.200 -0.039 0.000 2.333 741 E HA -0.101 4.247 4.350 -0.004 0.000 0.198 741 E C 1.497 177.988 176.600 -0.182 0.000 1.007 741 E CA 0.471 56.822 56.400 -0.082 0.000 0.845 741 E CB -0.194 29.466 29.700 -0.067 0.000 0.766 741 E HN 0.662 nan 8.360 nan 0.000 0.507 742 Y N 0.570 120.798 120.300 -0.120 0.000 2.583 742 Y HA 0.026 4.574 4.550 -0.004 0.000 0.293 742 Y C 0.733 176.582 175.900 -0.086 0.000 1.157 742 Y CA 0.404 58.363 58.100 -0.234 0.000 1.315 742 Y CB 0.009 38.252 38.460 -0.362 0.000 1.021 742 Y HN -0.080 nan 8.280 nan 0.000 0.536 743 R N 0.246 120.815 120.500 0.115 0.000 3.502 743 R HA -0.177 4.160 4.340 -0.004 0.000 0.266 743 R C -0.656 175.786 176.300 0.237 0.000 1.077 743 R CA 0.970 57.225 56.100 0.259 0.000 0.718 743 R CB -2.535 27.907 30.300 0.237 0.000 1.120 743 R HN 0.100 nan 8.270 nan 0.000 0.457 744 T N -0.851 113.643 114.554 -0.099 0.000 2.906 744 T HA 0.403 4.751 4.350 -0.004 0.000 0.295 744 T C 0.175 174.231 174.700 -1.073 0.000 1.061 744 T CA -0.375 61.541 62.100 -0.306 0.000 1.000 744 T CB 1.911 70.884 68.868 0.175 0.000 1.103 744 T HN 0.241 nan 8.240 nan 0.000 0.486 745 S N 0.681 115.585 115.700 -1.326 0.000 2.589 745 S HA 0.243 4.711 4.470 -0.004 0.000 0.265 745 S C 0.046 174.363 174.600 -0.472 0.000 1.342 745 S CA 0.012 57.353 58.200 -1.431 0.000 1.005 745 S CB -0.302 62.235 63.200 -1.105 0.000 0.909 745 S HN 0.971 nan 8.310 nan 0.000 0.555 746 H N -1.465 117.334 119.070 -0.450 0.000 2.936 746 H HA -0.118 4.435 4.556 -0.004 0.000 0.276 746 H C -0.456 174.384 175.328 -0.814 0.000 1.216 746 H CA 0.824 56.377 56.048 -0.825 0.000 1.132 746 H CB -2.397 27.101 29.762 -0.440 0.000 1.303 746 H HN 0.505 nan 8.280 nan 0.000 0.370 747 S N 1.090 116.555 115.700 -0.392 0.000 2.695 747 S HA 0.370 4.838 4.470 -0.004 0.000 0.275 747 S C -0.070 174.571 174.600 0.068 0.000 1.203 747 S CA -0.615 57.499 58.200 -0.143 0.000 1.061 747 S CB 0.114 63.297 63.200 -0.028 0.000 1.152 747 S HN 0.317 nan 8.310 nan 0.000 0.495 748 Y N 1.217 121.535 120.300 0.031 0.000 2.602 748 Y HA 0.555 5.103 4.550 -0.004 0.000 0.330 748 Y C 0.594 176.489 175.900 -0.008 0.000 1.114 748 Y CA -1.367 56.722 58.100 -0.018 0.000 1.182 748 Y CB 1.188 39.630 38.460 -0.028 0.000 1.305 748 Y HN 0.374 nan 8.280 nan 0.000 0.502 749 E N 2.431 122.728 120.200 0.162 0.000 2.316 749 E HA 0.387 4.735 4.350 -0.004 0.000 0.254 749 E C -1.795 174.850 176.600 0.075 0.000 0.902 749 E CA -0.445 56.021 56.400 0.110 0.000 0.801 749 E CB 0.889 30.651 29.700 0.104 0.000 1.270 749 E HN 0.637 nan 8.360 nan 0.000 0.414 750 M N 2.638 122.291 119.600 0.087 0.000 2.662 750 M HA 0.686 5.164 4.480 -0.004 0.000 0.310 750 M C 0.612 176.975 176.300 0.104 0.000 1.204 750 M CA -0.289 55.042 55.300 0.051 0.000 0.891 750 M CB 1.850 34.465 32.600 0.025 0.000 1.732 750 M HN 0.752 nan 8.290 nan 0.000 0.467 751 G N 0.688 109.544 108.800 0.094 0.000 2.601 751 G HA2 0.222 4.180 3.960 -0.004 0.000 0.252 751 G HA3 0.222 4.180 3.960 -0.004 0.000 0.252 751 G C 0.090 175.164 174.900 0.290 0.000 1.294 751 G CA -0.030 45.157 45.100 0.144 0.000 0.912 751 G HN 1.859 nan 8.290 nan 0.000 0.574 752 G N -3.559 105.394 108.800 0.256 0.000 2.746 752 G HA2 0.414 4.372 3.960 -0.004 0.000 0.685 752 G HA3 0.414 4.372 3.960 -0.004 0.000 0.685 752 G C -0.273 174.819 174.900 0.320 0.000 1.350 752 G CA 0.469 45.727 45.100 0.262 0.000 0.837 752 G HN 2.047 nan 8.290 nan 0.000 0.564 753 T N 1.298 115.956 114.554 0.173 0.000 2.809 753 T HA 0.590 4.938 4.350 -0.004 0.000 0.296 753 T C 0.615 175.336 174.700 0.035 0.000 1.015 753 T CA -0.091 62.141 62.100 0.220 0.000 0.954 753 T CB 0.822 69.874 68.868 0.307 0.000 0.950 753 T HN 0.443 nan 8.240 nan 0.000 0.450 754 F N 1.251 121.263 119.950 0.104 0.000 2.694 754 F HA 0.315 4.840 4.527 -0.004 0.000 0.292 754 F C 1.546 177.389 175.800 0.071 0.000 1.121 754 F CA -0.266 57.794 58.000 0.100 0.000 1.352 754 F CB 0.953 40.008 39.000 0.092 0.000 1.107 754 F HN 0.446 nan 8.300 nan 0.000 0.597 755 T N -0.951 113.733 114.554 0.218 0.000 2.802 755 T HA 0.220 4.567 4.350 -0.004 0.000 0.311 755 T C -1.063 173.681 174.700 0.074 0.000 1.405 755 T CA -0.565 61.602 62.100 0.110 0.000 1.016 755 T CB 1.386 70.289 68.868 0.057 0.000 1.352 755 T HN 0.130 nan 8.240 nan 0.000 0.498 756 D N 0.538 120.960 120.400 0.036 0.000 2.363 756 D HA 0.203 4.840 4.640 -0.004 0.000 0.214 756 D C 0.077 176.366 176.300 -0.018 0.000 1.093 756 D CA -0.242 53.770 54.000 0.020 0.000 0.837 756 D CB 0.220 41.032 40.800 0.021 0.000 0.948 756 D HN 0.137 nan 8.370 nan 0.000 0.507 757 K N 1.790 122.163 120.400 -0.044 0.000 2.339 757 K HA 0.123 4.441 4.320 -0.004 0.000 0.286 757 K C -0.005 176.523 176.600 -0.121 0.000 1.050 757 K CA -0.352 55.874 56.287 -0.101 0.000 0.956 757 K CB 0.773 33.177 32.500 -0.159 0.000 0.990 757 K HN 0.181 nan 8.250 nan 0.000 0.475 758 D N 4.377 124.705 120.400 -0.120 0.000 2.423 758 D HA 0.040 4.678 4.640 -0.004 0.000 0.238 758 D C -1.918 174.276 176.300 -0.177 0.000 1.142 758 D CA -0.822 53.113 54.000 -0.108 0.000 0.884 758 D CB 0.312 41.065 40.800 -0.077 0.000 1.199 758 D HN 0.258 nan 8.370 nan 0.000 0.438 759 P HA -0.002 nan 4.420 nan 0.000 0.268 759 P C -0.147 177.086 177.300 -0.112 0.000 1.208 759 P CA -0.171 62.859 63.100 -0.117 0.000 0.777 759 P CB 0.394 32.076 31.700 -0.029 0.000 0.875 760 F N 1.625 121.574 119.950 -0.001 0.000 2.506 760 F HA 0.133 4.657 4.527 -0.004 0.000 0.351 760 F C 1.774 177.583 175.800 0.015 0.000 1.136 760 F CA 0.680 58.681 58.000 0.002 0.000 1.298 760 F CB 0.270 39.260 39.000 -0.017 0.000 1.145 760 F HN 0.064 nan 8.300 nan 0.000 0.593 761 R N 1.335 121.992 120.500 0.260 0.000 2.664 761 R HA 0.585 4.923 4.340 -0.004 0.000 0.286 761 R C -0.820 175.585 176.300 0.174 0.000 0.967 761 R CA -0.794 55.407 56.100 0.168 0.000 0.933 761 R CB 1.908 32.286 30.300 0.130 0.000 1.146 761 R HN 0.582 nan 8.270 nan 0.000 0.468 762 S N -0.135 115.647 115.700 0.137 0.000 2.541 762 S HA 0.653 5.121 4.470 -0.004 0.000 0.280 762 S C -0.784 173.886 174.600 0.117 0.000 1.112 762 S CA -0.592 57.694 58.200 0.144 0.000 0.925 762 S CB 1.758 65.041 63.200 0.138 0.000 1.067 762 S HN 0.742 nan 8.310 nan 0.000 0.479 763 G N 3.007 111.881 108.800 0.123 0.000 2.368 763 G HA2 0.678 4.636 3.960 -0.004 0.000 0.320 763 G HA3 0.678 4.636 3.960 -0.004 0.000 0.320 763 G C -0.997 173.976 174.900 0.123 0.000 1.158 763 G CA -0.614 44.543 45.100 0.094 0.000 0.912 763 G HN 0.665 nan 8.290 nan 0.000 0.456 764 R N 0.970 121.530 120.500 0.101 0.000 2.725 764 R HA 0.503 4.841 4.340 -0.004 0.000 0.277 764 R C 0.303 176.662 176.300 0.099 0.000 0.987 764 R CA -0.803 55.362 56.100 0.110 0.000 0.901 764 R CB 2.241 32.580 30.300 0.064 0.000 1.207 764 R HN 0.580 nan 8.270 nan 0.000 0.463 765 I N -1.333 119.306 120.570 0.116 0.000 3.597 765 I HA 0.476 4.643 4.170 -0.004 0.000 0.323 765 I C 0.078 176.253 176.117 0.097 0.000 1.535 765 I CA -0.451 60.916 61.300 0.111 0.000 1.028 765 I CB 1.410 39.492 38.000 0.137 0.000 1.354 765 I HN 0.680 nan 8.210 nan 0.000 0.544 766 A N 0.476 123.331 122.820 0.058 0.000 2.610 766 A HA -0.188 4.130 4.320 -0.004 0.000 0.299 766 A C 0.065 177.748 177.584 0.166 0.000 1.487 766 A CA 0.905 52.982 52.037 0.065 0.000 0.743 766 A CB -2.516 16.555 19.000 0.119 0.000 1.070 766 A HN 0.687 nan 8.150 nan 0.000 0.439 767 C N 0.166 119.455 119.300 -0.019 0.000 2.797 767 C HA 0.685 5.142 4.460 -0.004 0.000 0.306 767 C C -0.473 174.207 174.990 -0.517 0.000 1.207 767 C CA -0.882 58.025 59.018 -0.186 0.000 1.507 767 C CB 2.038 29.592 27.740 -0.310 0.000 2.028 767 C HN 0.655 nan 8.230 nan 0.000 0.475 768 D N 1.332 121.527 120.400 -0.342 0.000 2.233 768 D HA 0.584 5.222 4.640 -0.004 0.000 0.240 768 D C -0.799 175.281 176.300 -0.368 0.000 1.074 768 D CA 0.125 53.953 54.000 -0.286 0.000 0.838 768 D CB 0.803 41.622 40.800 0.032 0.000 1.124 768 D HN 0.297 nan 8.370 nan 0.000 0.475 769 F N 0.998 121.067 119.950 0.199 0.000 2.458 769 F HA 0.433 4.957 4.527 -0.004 0.000 0.330 769 F C 0.846 176.833 175.800 0.312 0.000 1.082 769 F CA -0.964 57.147 58.000 0.186 0.000 0.995 769 F CB 1.788 40.773 39.000 -0.026 0.000 1.170 769 F HN -0.107 nan 8.300 nan 0.000 0.478 770 K N 3.473 124.172 120.400 0.499 0.000 2.507 770 K HA 0.318 4.636 4.320 -0.004 0.000 0.252 770 K C -1.534 175.265 176.600 0.332 0.000 0.943 770 K CA -0.760 55.756 56.287 0.383 0.000 0.808 770 K CB 1.556 34.205 32.500 0.247 0.000 1.142 770 K HN 0.659 nan 8.250 nan 0.000 0.426 771 L N 4.866 126.230 121.223 0.234 0.000 2.456 771 L HA 0.194 4.531 4.340 -0.004 0.000 0.277 771 L C -0.827 176.040 176.870 -0.005 0.000 1.124 771 L CA 0.874 55.679 54.840 -0.059 0.000 0.880 771 L CB 0.421 42.369 42.059 -0.186 0.000 1.192 771 L HN 0.800 nan 8.230 nan 0.000 0.463 772 D N 4.723 125.124 120.400 0.001 0.000 2.464 772 D HA 0.464 5.101 4.640 -0.004 0.000 0.243 772 D C 0.647 176.949 176.300 0.004 0.000 1.104 772 D CA 0.791 54.807 54.000 0.027 0.000 0.883 772 D CB 1.182 42.020 40.800 0.063 0.000 1.050 772 D HN 0.882 nan 8.370 nan 0.000 0.524 773 G N 4.908 113.694 108.800 -0.024 0.000 2.536 773 G HA2 -0.285 3.672 3.960 -0.004 0.000 0.277 773 G HA3 -0.285 3.672 3.960 -0.004 0.000 0.277 773 G C 0.519 175.354 174.900 -0.109 0.000 1.155 773 G CA 0.418 45.494 45.100 -0.039 0.000 0.960 773 G HN 0.581 nan 8.290 nan 0.000 0.544 774 D N 0.474 120.781 120.400 -0.153 0.000 2.395 774 D HA 0.167 4.805 4.640 -0.004 0.000 0.213 774 D C 0.258 176.289 176.300 -0.449 0.000 1.110 774 D CA 0.279 54.100 54.000 -0.298 0.000 0.835 774 D CB -0.063 40.538 40.800 -0.330 0.000 0.965 774 D HN 0.594 nan 8.370 nan 0.000 0.505 775 H N -0.130 118.854 119.070 -0.144 0.000 2.622 775 H HA 0.252 4.805 4.556 -0.003 0.000 0.363 775 H C -0.947 174.303 175.328 -0.129 0.000 1.151 775 H CA -0.592 55.386 56.048 -0.116 0.000 1.184 775 H CB 1.309 31.052 29.762 -0.031 0.000 1.643 775 H HN -0.031 nan 8.280 nan 0.000 0.531 776 Y N 0.715 121.087 120.300 0.120 0.000 2.316 776 Y HA 0.221 4.769 4.550 -0.003 0.000 0.331 776 Y C 0.517 176.489 175.900 0.120 0.000 1.083 776 Y CA -0.271 57.877 58.100 0.080 0.000 1.206 776 Y CB 1.439 39.865 38.460 -0.057 0.000 1.195 776 Y HN 0.218 nan 8.280 nan 0.000 0.497 777 V N 4.998 125.103 119.914 0.319 0.000 2.581 777 V HA 0.419 4.537 4.120 -0.004 0.000 0.303 777 V C -0.739 175.535 176.094 0.300 0.000 1.041 777 V CA -0.863 61.581 62.300 0.240 0.000 0.907 777 V CB 1.733 33.648 31.823 0.154 0.000 0.994 777 V HN 0.512 nan 8.190 nan 0.000 0.442 778 V N 8.021 128.091 119.914 0.260 0.000 2.381 778 V HA 0.199 4.317 4.120 -0.004 0.000 0.257 778 V C 1.424 177.585 176.094 0.111 0.000 1.057 778 V CA 0.805 63.233 62.300 0.213 0.000 1.013 778 V CB 0.119 32.045 31.823 0.172 0.000 1.069 778 V HN 1.123 nan 8.190 nan 0.000 0.484 779 A N 5.030 127.905 122.820 0.091 0.000 1.969 779 A HA 0.016 4.334 4.320 -0.004 0.000 0.218 779 A C 1.104 178.681 177.584 -0.011 0.000 1.169 779 A CA 1.128 53.200 52.037 0.058 0.000 0.635 779 A CB 0.093 19.146 19.000 0.088 0.000 0.810 779 A HN 0.671 nan 8.150 nan 0.000 0.445 780 K N -1.762 118.595 120.400 -0.071 0.000 2.557 780 K HA 0.559 4.877 4.320 -0.004 0.000 0.257 780 K C -1.873 174.591 176.600 -0.226 0.000 0.933 780 K CA -0.203 55.971 56.287 -0.188 0.000 0.820 780 K CB 1.681 33.991 32.500 -0.316 0.000 1.330 780 K HN 0.203 nan 8.250 nan 0.000 0.432 781 A N 3.537 126.239 122.820 -0.198 0.000 2.318 781 A HA 0.575 4.893 4.320 -0.004 0.000 0.317 781 A C -1.677 175.886 177.584 -0.035 0.000 1.159 781 A CA -0.534 51.481 52.037 -0.036 0.000 0.799 781 A CB 0.318 19.325 19.000 0.012 0.000 1.194 781 A HN 0.578 nan 8.150 nan 0.000 0.479 782 Y N 1.090 121.465 120.300 0.125 0.000 2.308 782 Y HA 0.553 5.100 4.550 -0.005 0.000 0.329 782 Y C 0.683 176.596 175.900 0.022 0.000 1.111 782 Y CA 0.301 58.429 58.100 0.046 0.000 1.179 782 Y CB 1.740 40.179 38.460 -0.035 0.000 1.201 782 Y HN 0.882 nan 8.280 nan 0.000 0.483 783 A N 1.601 124.393 122.820 -0.046 0.000 2.488 783 A HA 0.660 4.978 4.320 -0.004 0.000 0.295 783 A C 0.078 177.402 177.584 -0.434 0.000 1.045 783 A CA -0.066 51.741 52.037 -0.384 0.000 0.703 783 A CB 0.706 19.168 19.000 -0.896 0.000 1.271 783 A HN 0.850 nan 8.150 nan 0.000 0.400 784 G N 0.150 108.704 108.800 -0.410 0.000 2.992 784 G HA2 0.376 4.334 3.960 -0.004 0.000 0.195 784 G HA3 0.376 4.334 3.960 -0.004 0.000 0.195 784 G C -0.317 174.331 174.900 -0.419 0.000 2.032 784 G CA 0.554 45.442 45.100 -0.354 0.000 0.831 784 G HN 0.679 nan 8.290 nan 0.000 0.647 785 D N -0.510 119.718 120.400 -0.287 0.000 2.347 785 D HA 0.229 4.867 4.640 -0.004 0.000 0.235 785 D C 0.673 176.858 176.300 -0.193 0.000 1.149 785 D CA -0.635 53.245 54.000 -0.199 0.000 0.850 785 D CB 0.843 41.599 40.800 -0.074 0.000 1.061 785 D HN 0.209 nan 8.370 nan 0.000 0.487 786 Y N 1.875 122.105 120.300 -0.115 0.000 2.193 786 Y HA -0.210 4.336 4.550 -0.007 0.000 0.285 786 Y C 2.550 178.407 175.900 -0.072 0.000 1.166 786 Y CA 1.143 59.164 58.100 -0.131 0.000 1.181 786 Y CB -0.200 38.169 38.460 -0.152 0.000 0.976 786 Y HN 0.367 nan 8.280 nan 0.000 0.520 787 S N -0.568 115.193 115.700 0.101 0.000 2.489 787 S HA -0.026 4.442 4.470 -0.004 0.000 0.228 787 S C 0.627 175.250 174.600 0.038 0.000 0.995 787 S CA -0.021 58.215 58.200 0.060 0.000 0.934 787 S CB -0.289 62.940 63.200 0.048 0.000 0.771 787 S HN 0.312 nan 8.310 nan 0.000 0.522 788 N N 2.185 120.901 118.700 0.028 0.000 2.424 788 N HA 0.122 4.860 4.740 -0.004 0.000 0.257 788 N C -0.012 175.522 175.510 0.041 0.000 1.250 788 N CA -0.030 53.041 53.050 0.035 0.000 0.946 788 N CB 0.343 38.857 38.487 0.044 0.000 1.175 788 N HN 0.340 nan 8.380 nan 0.000 0.477 789 E N -0.365 119.862 120.200 0.046 0.000 2.354 789 E HA 0.267 4.615 4.350 -0.004 0.000 0.269 789 E C 0.211 176.857 176.600 0.077 0.000 1.036 789 E CA -0.354 56.070 56.400 0.040 0.000 0.876 789 E CB 0.282 29.988 29.700 0.010 0.000 1.009 789 E HN 0.715 nan 8.360 nan 0.000 0.416 790 G N 3.747 112.590 108.800 0.072 0.000 2.395 790 G HA2 -0.294 3.664 3.960 -0.004 0.000 0.300 790 G HA3 -0.294 3.664 3.960 -0.004 0.000 0.300 790 G C 0.127 175.124 174.900 0.162 0.000 0.998 790 G CA 0.884 46.050 45.100 0.109 0.000 1.046 790 G HN 0.705 nan 8.290 nan 0.000 0.513 791 E N -0.771 119.472 120.200 0.072 0.000 2.887 791 E HA 0.178 4.526 4.350 -0.004 0.000 0.206 791 E C 0.582 177.131 176.600 -0.085 0.000 0.983 791 E CA 0.048 56.432 56.400 -0.025 0.000 1.141 791 E CB 0.445 30.092 29.700 -0.088 0.000 1.061 791 E HN 0.812 nan 8.360 nan 0.000 0.468 792 K N -0.945 119.458 120.400 0.005 0.000 2.597 792 K HA 0.332 4.650 4.320 -0.004 0.000 0.282 792 K C -0.572 176.167 176.600 0.231 0.000 0.975 792 K CA -0.799 55.517 56.287 0.048 0.000 0.867 792 K CB 1.511 33.962 32.500 -0.082 0.000 1.465 792 K HN -0.079 nan 8.250 nan 0.000 0.417 793 S N 1.661 117.611 115.700 0.417 0.000 2.558 793 S HA 0.062 4.530 4.470 -0.004 0.000 0.293 793 S C -1.147 173.648 174.600 0.325 0.000 1.292 793 S CA -0.884 57.519 58.200 0.338 0.000 1.063 793 S CB 0.254 63.619 63.200 0.274 0.000 0.831 793 S HN 0.578 nan 8.310 nan 0.000 0.499 794 P HA -0.057 nan 4.420 nan 0.000 0.231 794 P C 1.217 178.637 177.300 0.201 0.000 1.158 794 P CA 0.852 64.061 63.100 0.182 0.000 0.763 794 P CB -0.029 31.754 31.700 0.138 0.000 0.805 795 I N -1.804 118.847 120.570 0.135 0.000 2.546 795 I HA -0.150 4.018 4.170 -0.004 0.000 0.255 795 I C 2.070 178.230 176.117 0.072 0.000 1.163 795 I CA 0.942 62.281 61.300 0.065 0.000 1.457 795 I CB -0.589 37.328 38.000 -0.139 0.000 1.092 795 I HN -0.186 nan 8.210 nan 0.000 0.434 796 F N 1.234 121.252 119.950 0.113 0.000 2.333 796 F HA -0.180 4.345 4.527 -0.004 0.000 0.300 796 F C 2.282 178.116 175.800 0.057 0.000 1.083 796 F CA 1.103 59.160 58.000 0.096 0.000 1.395 796 F CB -0.313 38.777 39.000 0.150 0.000 1.056 796 F HN 0.096 nan 8.300 nan 0.000 0.529 797 E N -1.310 119.012 120.200 0.203 0.000 2.478 797 E HA -0.171 4.176 4.350 -0.004 0.000 0.198 797 E C 0.755 177.255 176.600 -0.166 0.000 1.046 797 E CA 0.624 57.025 56.400 0.003 0.000 0.870 797 E CB -0.131 29.521 29.700 -0.081 0.000 0.818 797 E HN 0.549 nan 8.360 nan 0.000 0.527 798 Y N -0.466 119.851 120.300 0.029 0.000 2.485 798 Y HA 0.195 4.749 4.550 0.006 0.000 0.260 798 Y C 1.487 177.379 175.900 -0.012 0.000 1.173 798 Y CA 0.278 58.374 58.100 -0.008 0.000 1.252 798 Y CB 1.256 39.690 38.460 -0.043 0.000 1.123 798 Y HN 0.084 nan 8.280 nan 0.000 0.524 799 G N 1.349 110.214 108.800 0.108 0.000 2.141 799 G HA2 -0.265 3.693 3.960 -0.004 0.000 0.242 799 G HA3 -0.265 3.693 3.960 -0.004 0.000 0.242 799 G C 0.041 174.979 174.900 0.063 0.000 0.982 799 G CA 0.306 45.452 45.100 0.075 0.000 0.662 799 G HN 0.447 nan 8.290 nan 0.000 0.527 800 I N -3.398 117.192 120.570 0.033 0.000 2.994 800 I HA 0.767 4.935 4.170 -0.004 0.000 0.306 800 I C -1.437 174.583 176.117 -0.161 0.000 1.195 800 I CA -1.457 59.826 61.300 -0.029 0.000 1.001 800 I CB 2.346 40.281 38.000 -0.108 0.000 1.244 800 I HN -0.077 nan 8.210 nan 0.000 0.437 801 D N 5.704 126.054 120.400 -0.084 0.000 2.317 801 D HA 0.356 4.994 4.640 -0.004 0.000 0.234 801 D C -1.736 174.486 176.300 -0.130 0.000 1.112 801 D CA -2.355 51.517 54.000 -0.213 0.000 0.840 801 D CB 1.970 42.858 40.800 0.147 0.000 1.078 801 D HN 0.417 nan 8.370 nan 0.000 0.486 802 P HA -0.045 nan 4.420 nan 0.000 0.237 802 P C 0.133 177.554 177.300 0.202 0.000 1.178 802 P CA 0.095 63.123 63.100 -0.120 0.000 0.766 802 P CB -0.012 31.552 31.700 -0.227 0.000 0.876 803 T N 0.660 115.284 114.554 0.116 0.000 2.905 803 T HA 0.271 4.618 4.350 -0.004 0.000 0.299 803 T C 1.564 176.333 174.700 0.115 0.000 1.024 803 T CA 1.386 63.546 62.100 0.100 0.000 1.151 803 T CB -0.138 68.766 68.868 0.061 0.000 0.987 803 T HN 0.372 nan 8.240 nan 0.000 0.535 804 G N 2.389 111.232 108.800 0.072 0.000 2.284 804 G HA2 -0.272 3.686 3.960 -0.004 0.000 0.247 804 G HA3 -0.272 3.686 3.960 -0.004 0.000 0.247 804 G C 0.125 175.004 174.900 -0.035 0.000 1.012 804 G CA -0.206 44.891 45.100 -0.004 0.000 0.618 804 G HN 0.710 nan 8.290 nan 0.000 0.521 805 Y N 0.709 121.008 120.300 -0.001 0.000 2.457 805 Y HA 0.511 5.060 4.550 -0.003 0.000 0.341 805 Y C 1.390 177.297 175.900 0.012 0.000 1.240 805 Y CA -0.049 58.046 58.100 -0.009 0.000 1.437 805 Y CB 0.489 38.934 38.460 -0.024 0.000 1.328 805 Y HN 0.169 nan 8.280 nan 0.000 0.588 806 L N 4.484 125.787 121.223 0.133 0.000 2.307 806 L HA 0.391 4.728 4.340 -0.004 0.000 0.282 806 L C -0.464 176.451 176.870 0.075 0.000 1.051 806 L CA -0.541 54.339 54.840 0.065 0.000 0.804 806 L CB 1.052 43.055 42.059 -0.095 0.000 1.197 806 L HN 0.475 nan 8.230 nan 0.000 0.431 807 I N 3.199 123.823 120.570 0.091 0.000 2.312 807 I HA 0.074 4.241 4.170 -0.004 0.000 0.291 807 I C 0.949 177.098 176.117 0.054 0.000 1.031 807 I CA -0.237 61.087 61.300 0.040 0.000 1.293 807 I CB 1.453 39.434 38.000 -0.032 0.000 1.403 807 I HN 0.732 nan 8.210 nan 0.000 0.484 808 E N 4.712 124.923 120.200 0.018 0.000 2.075 808 E HA 0.014 4.362 4.350 -0.004 0.000 0.190 808 E C -0.070 176.551 176.600 0.034 0.000 0.969 808 E CA 0.873 57.299 56.400 0.044 0.000 0.815 808 E CB 0.340 30.044 29.700 0.005 0.000 0.776 808 E HN 0.747 nan 8.360 nan 0.000 0.457 809 D N -0.869 119.521 120.400 -0.016 0.000 2.710 809 D HA 0.309 4.946 4.640 -0.004 0.000 0.276 809 D C -0.677 175.581 176.300 -0.069 0.000 1.267 809 D CA -0.570 53.407 54.000 -0.038 0.000 0.772 809 D CB 1.157 41.941 40.800 -0.027 0.000 1.299 809 D HN -0.129 nan 8.370 nan 0.000 0.421 810 I N 0.473 120.996 120.570 -0.079 0.000 2.478 810 I HA 0.154 4.322 4.170 -0.004 0.000 0.287 810 I C -0.466 175.610 176.117 -0.068 0.000 1.042 810 I CA -0.495 60.753 61.300 -0.087 0.000 1.067 810 I CB 1.687 39.615 38.000 -0.119 0.000 1.233 810 I HN 0.559 nan 8.210 nan 0.000 0.431 811 D N 5.203 125.568 120.400 -0.058 0.000 2.708 811 D HA -0.201 4.437 4.640 -0.004 0.000 0.236 811 D C 1.104 177.380 176.300 -0.040 0.000 1.146 811 D CA 1.717 55.690 54.000 -0.045 0.000 0.662 811 D CB -0.718 40.057 40.800 -0.041 0.000 1.059 811 D HN 1.133 nan 8.370 nan 0.000 0.428 812 G N -0.251 108.525 108.800 -0.040 0.000 2.234 812 G HA2 -0.367 3.590 3.960 -0.004 0.000 0.260 812 G HA3 -0.367 3.590 3.960 -0.004 0.000 0.260 812 G C 0.120 175.000 174.900 -0.033 0.000 0.987 812 G CA 0.605 45.686 45.100 -0.033 0.000 0.625 812 G HN 0.743 nan 8.290 nan 0.000 0.532 813 E N 1.332 121.507 120.200 -0.041 0.000 2.146 813 E HA 0.522 4.870 4.350 -0.004 0.000 0.282 813 E C 0.100 176.674 176.600 -0.043 0.000 0.989 813 E CA -0.304 56.070 56.400 -0.043 0.000 0.799 813 E CB 0.479 30.147 29.700 -0.053 0.000 1.088 813 E HN 0.095 nan 8.360 nan 0.000 0.397 814 T N 3.485 118.020 114.554 -0.031 0.000 2.888 814 T HA 0.216 4.564 4.350 -0.004 0.000 0.301 814 T C -0.238 174.448 174.700 -0.024 0.000 1.001 814 T CA -0.341 61.747 62.100 -0.019 0.000 1.147 814 T CB 0.522 69.380 68.868 -0.016 0.000 0.931 814 T HN 0.380 nan 8.240 nan 0.000 0.541 815 V N 0.855 120.769 119.914 0.000 0.000 2.680 815 V HA 1.071 5.189 4.120 -0.004 0.000 0.309 815 V C 0.308 176.465 176.094 0.105 0.000 1.052 815 V CA -0.222 62.100 62.300 0.036 0.000 0.908 815 V CB 1.382 33.185 31.823 -0.033 0.000 1.001 815 V HN 1.122 nan 8.190 nan 0.000 0.431 816 G N 1.844 110.696 108.800 0.086 0.000 2.455 816 G HA2 0.535 4.493 3.960 -0.004 0.000 0.223 816 G HA3 0.535 4.493 3.960 -0.004 0.000 0.223 816 G C 0.647 175.358 174.900 -0.316 0.000 1.226 816 G CA 0.002 44.970 45.100 -0.221 0.000 0.948 816 G HN 1.542 nan 8.290 nan 0.000 0.478 817 A N -0.658 121.966 122.820 -0.327 0.000 1.971 817 A HA 0.202 4.520 4.320 -0.004 0.000 0.222 817 A C 2.180 179.679 177.584 -0.143 0.000 1.182 817 A CA 3.176 55.071 52.037 -0.238 0.000 0.649 817 A CB -0.773 18.108 19.000 -0.198 0.000 0.818 817 A HN 2.088 nan 8.150 nan 0.000 0.458 818 G N -2.244 106.488 108.800 -0.113 0.000 3.651 818 G HA2 0.413 4.371 3.960 -0.004 0.000 0.279 818 G HA3 0.413 4.371 3.960 -0.004 0.000 0.279 818 G C 0.039 174.911 174.900 -0.047 0.000 1.024 818 G CA 0.810 45.869 45.100 -0.070 0.000 0.813 818 G HN 0.429 nan 8.290 nan 0.000 0.518 819 S N 0.805 116.486 115.700 -0.031 0.000 2.620 819 S HA 0.237 4.704 4.470 -0.004 0.000 0.244 819 S C -0.662 173.968 174.600 0.050 0.000 1.192 819 S CA -0.776 57.417 58.200 -0.011 0.000 1.148 819 S CB 0.334 63.520 63.200 -0.024 0.000 1.106 819 S HN 0.224 nan 8.310 nan 0.000 0.474 820 N N 4.572 123.278 118.700 0.011 0.000 2.394 820 N HA -0.023 4.715 4.740 -0.004 0.000 0.277 820 N C 1.160 176.566 175.510 -0.173 0.000 1.346 820 N CA 0.291 53.347 53.050 0.010 0.000 0.910 820 N CB 0.108 38.562 38.487 -0.056 0.000 1.201 820 N HN 0.821 nan 8.380 nan 0.000 0.488 821 I N 4.578 124.920 120.570 -0.380 0.000 2.394 821 I HA -0.285 3.883 4.170 -0.004 0.000 0.251 821 I C 0.783 176.503 176.117 -0.661 0.000 1.136 821 I CA 1.143 62.002 61.300 -0.735 0.000 1.425 821 I CB 0.035 37.136 38.000 -1.499 0.000 1.079 821 I HN 0.515 nan 8.210 nan 0.000 0.425 822 Y N 0.635 120.748 120.300 -0.312 0.000 2.181 822 Y HA -0.249 4.299 4.550 -0.004 0.000 0.288 822 Y C 2.722 178.387 175.900 -0.392 0.000 1.146 822 Y CA 1.778 59.752 58.100 -0.210 0.000 1.164 822 Y CB -0.805 37.618 38.460 -0.062 0.000 0.982 822 Y HN 0.143 nan 8.280 nan 0.000 0.515 823 R N 0.263 120.387 120.500 -0.627 0.000 2.075 823 R HA -0.118 4.220 4.340 -0.004 0.000 0.232 823 R C 1.986 178.035 176.300 -0.418 0.000 1.126 823 R CA 1.507 56.986 56.100 -1.035 0.000 0.963 823 R CB -0.555 29.000 30.300 -1.240 0.000 0.858 823 R HN 0.198 nan 8.270 nan 0.000 0.435 824 V N 1.535 121.257 119.914 -0.318 0.000 2.332 824 V HA -0.265 3.853 4.120 -0.004 0.000 0.248 824 V C 2.390 178.392 176.094 -0.154 0.000 1.055 824 V CA 1.817 63.992 62.300 -0.208 0.000 1.038 824 V CB -0.397 31.299 31.823 -0.212 0.000 0.651 824 V HN 0.352 nan 8.190 nan 0.000 0.450 825 L N -0.493 120.632 121.223 -0.163 0.000 2.056 825 L HA -0.143 4.195 4.340 -0.004 0.000 0.207 825 L C 2.650 179.511 176.870 -0.016 0.000 1.078 825 L CA 1.576 56.368 54.840 -0.080 0.000 0.749 825 L CB -0.673 41.356 42.059 -0.051 0.000 0.901 825 L HN 0.284 nan 8.230 nan 0.000 0.433 826 S N -0.187 115.512 115.700 -0.002 0.000 2.387 826 S HA -0.231 4.236 4.470 -0.004 0.000 0.230 826 S C 1.747 176.378 174.600 0.051 0.000 1.035 826 S CA 1.472 59.714 58.200 0.071 0.000 1.014 826 S CB -0.249 63.049 63.200 0.163 0.000 0.836 826 S HN 0.462 nan 8.310 nan 0.000 0.466 827 E N 0.142 120.345 120.200 0.005 0.000 2.418 827 E HA -0.010 4.338 4.350 -0.004 0.000 0.197 827 E C 1.314 177.915 176.600 0.003 0.000 1.026 827 E CA 0.542 56.946 56.400 0.007 0.000 0.862 827 E CB 0.198 29.886 29.700 -0.020 0.000 0.799 827 E HN 0.174 nan 8.360 nan 0.000 0.518 828 K N -0.194 120.205 120.400 -0.003 0.000 2.374 828 K HA 0.246 4.564 4.320 -0.004 0.000 0.202 828 K C 0.197 176.805 176.600 0.015 0.000 1.040 828 K CA -0.063 56.223 56.287 -0.001 0.000 1.085 828 K CB 0.785 33.274 32.500 -0.018 0.000 0.873 828 K HN -0.023 nan 8.250 nan 0.000 0.539 829 A N 0.838 123.675 122.820 0.028 0.000 2.567 829 A HA 0.358 4.676 4.320 -0.004 0.000 0.240 829 A C 1.253 178.856 177.584 0.033 0.000 1.053 829 A CA 1.309 53.369 52.037 0.039 0.000 0.755 829 A CB -0.470 18.563 19.000 0.054 0.000 0.978 829 A HN 0.561 nan 8.150 nan 0.000 0.507 830 G N 1.368 110.187 108.800 0.032 0.000 2.157 830 G HA2 -0.054 3.904 3.960 -0.004 0.000 0.248 830 G HA3 -0.054 3.904 3.960 -0.004 0.000 0.248 830 G C 0.443 175.357 174.900 0.023 0.000 0.979 830 G CA 1.089 46.206 45.100 0.028 0.000 0.650 830 G HN 2.540 nan 8.290 nan 0.000 0.529 831 T N -2.802 111.766 114.554 0.023 0.000 2.812 831 T HA 0.740 5.087 4.350 -0.004 0.000 0.294 831 T C -0.362 174.351 174.700 0.022 0.000 1.159 831 T CA 0.197 62.309 62.100 0.019 0.000 1.008 831 T CB 2.025 70.901 68.868 0.013 0.000 1.289 831 T HN 0.572 nan 8.240 nan 0.000 0.514 832 S N 0.636 116.349 115.700 0.021 0.000 2.429 832 S HA 0.759 5.227 4.470 -0.004 0.000 0.302 832 S C -0.146 174.460 174.600 0.010 0.000 1.115 832 S CA -0.673 57.542 58.200 0.026 0.000 1.095 832 S CB 0.658 63.881 63.200 0.038 0.000 0.987 832 S HN 1.077 nan 8.310 nan 0.000 0.474 833 A N 2.889 125.708 122.820 -0.001 0.000 2.380 833 A HA 0.719 5.036 4.320 -0.004 0.000 0.315 833 A C -0.170 177.391 177.584 -0.039 0.000 1.101 833 A CA -0.961 51.063 52.037 -0.021 0.000 0.771 833 A CB 0.894 19.877 19.000 -0.029 0.000 1.287 833 A HN 0.806 nan 8.150 nan 0.000 0.436 834 R N 1.751 122.222 120.500 -0.048 0.000 2.296 834 R HA 0.453 4.791 4.340 -0.004 0.000 0.323 834 R C -1.291 174.959 176.300 -0.082 0.000 1.067 834 R CA 0.088 56.146 56.100 -0.070 0.000 0.946 834 R CB -0.149 30.116 30.300 -0.058 0.000 0.991 834 R HN 0.599 nan 8.270 nan 0.000 0.448 835 I N 4.572 125.077 120.570 -0.109 0.000 2.362 835 I HA 0.315 4.483 4.170 -0.004 0.000 0.289 835 I C -0.075 175.972 176.117 -0.117 0.000 0.994 835 I CA -1.121 60.115 61.300 -0.107 0.000 1.158 835 I CB 1.693 39.628 38.000 -0.108 0.000 1.315 835 I HN 0.498 nan 8.210 nan 0.000 0.451 836 R N 6.740 127.188 120.500 -0.088 0.000 2.312 836 R HA 0.727 5.065 4.340 -0.004 0.000 0.311 836 R C -1.561 174.704 176.300 -0.060 0.000 1.004 836 R CA -0.089 55.966 56.100 -0.074 0.000 0.902 836 R CB 0.718 30.989 30.300 -0.050 0.000 1.073 836 R HN 0.591 nan 8.270 nan 0.000 0.457 837 L N 1.862 123.052 121.223 -0.056 0.000 2.350 837 L HA 0.588 4.926 4.340 -0.004 0.000 0.260 837 L C -0.618 176.300 176.870 0.080 0.000 1.015 837 L CA -0.915 53.925 54.840 -0.001 0.000 0.821 837 L CB 2.714 44.719 42.059 -0.090 0.000 1.370 837 L HN 0.604 nan 8.230 nan 0.000 0.416 838 S N -0.029 115.766 115.700 0.158 0.000 2.647 838 S HA 0.660 5.128 4.470 -0.004 0.000 0.300 838 S C -0.131 174.526 174.600 0.094 0.000 1.129 838 S CA -0.622 57.645 58.200 0.110 0.000 1.029 838 S CB 1.888 65.068 63.200 -0.034 0.000 1.007 838 S HN 0.783 nan 8.310 nan 0.000 0.484 839 G N 1.232 110.022 108.800 -0.016 0.000 2.462 839 G HA2 0.464 4.422 3.960 -0.004 0.000 0.319 839 G HA3 0.464 4.422 3.960 -0.004 0.000 0.319 839 G C -0.622 174.116 174.900 -0.269 0.000 1.171 839 G CA -0.761 44.042 45.100 -0.495 0.000 0.920 839 G HN 0.602 nan 8.290 nan 0.000 0.499 840 K N 0.875 121.098 120.400 -0.295 0.000 2.245 840 K HA 0.446 4.764 4.320 -0.004 0.000 0.281 840 K C 0.824 177.351 176.600 -0.121 0.000 1.079 840 K CA 0.926 57.113 56.287 -0.166 0.000 1.000 840 K CB -0.485 31.927 32.500 -0.146 0.000 1.038 840 K HN 0.885 nan 8.250 nan 0.000 0.430 841 G N 1.919 110.667 108.800 -0.087 0.000 2.350 841 G HA2 -0.046 3.912 3.960 -0.004 0.000 0.085 841 G HA3 -0.046 3.912 3.960 -0.004 0.000 0.085 841 G C 0.238 175.113 174.900 -0.041 0.000 1.159 841 G CA -0.247 44.820 45.100 -0.056 0.000 1.146 841 G HN 0.467 nan 8.290 nan 0.000 0.449 842 G N -0.087 108.697 108.800 -0.026 0.000 3.377 842 G HA2 0.406 4.364 3.960 -0.004 0.000 0.257 842 G HA3 0.406 4.364 3.960 -0.004 0.000 0.257 842 G C -0.111 174.790 174.900 0.001 0.000 1.038 842 G CA 0.980 46.072 45.100 -0.014 0.000 0.809 842 G HN 0.577 nan 8.290 nan 0.000 0.526 843 D N 1.630 122.035 120.400 0.009 0.000 2.401 843 D HA 0.205 4.843 4.640 -0.004 0.000 0.254 843 D C -0.046 176.304 176.300 0.083 0.000 1.192 843 D CA 0.543 54.577 54.000 0.056 0.000 0.885 843 D CB 0.501 41.360 40.800 0.098 0.000 1.147 843 D HN 0.095 nan 8.370 nan 0.000 0.478 844 K N 4.065 124.502 120.400 0.061 0.000 2.443 844 K HA 0.474 4.792 4.320 -0.004 0.000 0.252 844 K C -0.354 176.252 176.600 0.009 0.000 0.933 844 K CA -0.982 55.329 56.287 0.040 0.000 0.792 844 K CB 2.235 34.741 32.500 0.009 0.000 1.185 844 K HN 0.262 nan 8.250 nan 0.000 0.425 845 R N 1.675 122.160 120.500 -0.026 0.000 2.599 845 R HA 0.309 4.647 4.340 -0.004 0.000 0.295 845 R C -1.101 175.127 176.300 -0.121 0.000 0.963 845 R CA -0.864 55.177 56.100 -0.098 0.000 0.883 845 R CB 1.552 31.739 30.300 -0.188 0.000 1.171 845 R HN 0.593 nan 8.270 nan 0.000 0.450 846 D N 3.729 124.045 120.400 -0.139 0.000 2.420 846 D HA 0.346 4.983 4.640 -0.004 0.000 0.255 846 D C -0.977 175.190 176.300 -0.223 0.000 1.185 846 D CA -0.363 53.552 54.000 -0.143 0.000 0.904 846 D CB 0.451 41.196 40.800 -0.091 0.000 1.102 846 D HN 0.376 nan 8.370 nan 0.000 0.534 847 L N 1.749 122.788 121.223 -0.307 0.000 2.354 847 L HA 0.554 4.891 4.340 -0.004 0.000 0.269 847 L C 0.206 176.869 176.870 -0.345 0.000 1.005 847 L CA -1.028 53.498 54.840 -0.524 0.000 0.819 847 L CB 2.100 43.646 42.059 -0.856 0.000 1.311 847 L HN 0.093 nan 8.230 nan 0.000 0.423 848 M N 4.147 123.583 119.600 -0.274 0.000 2.201 848 M HA 0.374 4.852 4.480 -0.004 0.000 0.345 848 M C -0.593 175.725 176.300 0.029 0.000 1.352 848 M CA -0.249 55.016 55.300 -0.057 0.000 1.218 848 M CB 0.297 32.921 32.600 0.040 0.000 1.512 848 M HN 0.319 nan 8.290 nan 0.000 0.447 849 I N 2.631 123.201 120.570 0.001 0.000 2.392 849 I HA 0.242 4.410 4.170 -0.004 0.000 0.295 849 I C 0.104 176.261 176.117 0.067 0.000 0.985 849 I CA -0.746 60.594 61.300 0.066 0.000 1.221 849 I CB 1.376 39.386 38.000 0.017 0.000 1.366 849 I HN 0.404 nan 8.210 nan 0.000 0.467 850 D N 5.942 126.398 120.400 0.093 0.000 2.358 850 D HA 0.178 4.816 4.640 -0.004 0.000 0.258 850 D C 0.164 176.500 176.300 0.061 0.000 1.223 850 D CA 0.032 54.074 54.000 0.069 0.000 0.886 850 D CB 0.862 41.706 40.800 0.072 0.000 1.120 850 D HN 0.110 nan 8.370 nan 0.000 0.482 851 I N 4.001 124.599 120.570 0.046 0.000 2.301 851 I HA 0.141 4.309 4.170 -0.004 0.000 0.292 851 I C 0.661 176.808 176.117 0.049 0.000 1.046 851 I CA -0.414 60.914 61.300 0.046 0.000 1.282 851 I CB 0.101 38.118 38.000 0.030 0.000 1.409 851 I HN 0.140 nan 8.210 nan 0.000 0.484 852 L N 5.395 126.652 121.223 0.056 0.000 2.439 852 L HA 0.248 4.586 4.340 -0.004 0.000 0.261 852 L C 1.119 178.019 176.870 0.050 0.000 1.153 852 L CA -0.434 54.436 54.840 0.051 0.000 0.808 852 L CB 0.656 42.747 42.059 0.052 0.000 1.126 852 L HN 0.442 nan 8.230 nan 0.000 0.460 853 D N -0.290 120.136 120.400 0.043 0.000 2.333 853 D HA 0.025 4.663 4.640 -0.004 0.000 0.208 853 D C -0.109 176.215 176.300 0.039 0.000 0.984 853 D CA 0.916 54.943 54.000 0.044 0.000 0.873 853 D CB 0.274 41.097 40.800 0.037 0.000 0.935 853 D HN 0.533 nan 8.370 nan 0.000 0.521 854 D N -0.819 119.599 120.400 0.030 0.000 2.663 854 D HA 0.156 4.794 4.640 -0.004 0.000 0.233 854 D C -1.504 174.800 176.300 0.007 0.000 1.240 854 D CA -0.607 53.400 54.000 0.012 0.000 0.774 854 D CB 1.434 42.238 40.800 0.006 0.000 1.443 854 D HN -0.170 nan 8.370 nan 0.000 0.441 855 D N 1.276 121.660 120.400 -0.028 0.000 2.712 855 D HA 0.085 4.723 4.640 -0.004 0.000 0.300 855 D C 1.147 177.388 176.300 -0.098 0.000 1.521 855 D CA -0.317 53.659 54.000 -0.041 0.000 0.790 855 D CB 0.050 40.818 40.800 -0.055 0.000 1.155 855 D HN 0.269 nan 8.370 nan 0.000 0.456 856 R N 0.013 120.463 120.500 -0.082 0.000 2.081 856 R HA -0.031 4.307 4.340 -0.004 0.000 0.235 856 R C 1.509 177.770 176.300 -0.064 0.000 1.131 856 R CA 1.307 57.329 56.100 -0.129 0.000 0.960 856 R CB -0.833 29.399 30.300 -0.114 0.000 0.856 856 R HN 0.177 nan 8.270 nan 0.000 0.436 857 F N 0.525 120.410 119.950 -0.108 0.000 2.186 857 F HA -0.030 4.492 4.527 -0.007 0.000 0.299 857 F C 1.747 177.540 175.800 -0.013 0.000 1.090 857 F CA 1.368 59.346 58.000 -0.036 0.000 1.307 857 F CB -0.183 38.798 39.000 -0.032 0.000 1.019 857 F HN 0.016 nan 8.300 nan 0.000 0.489 858 I N 0.054 120.589 120.570 -0.059 0.000 2.179 858 I HA -0.330 3.838 4.170 -0.004 0.000 0.242 858 I C 2.519 178.497 176.117 -0.232 0.000 1.088 858 I CA 1.489 62.699 61.300 -0.149 0.000 1.357 858 I CB -0.510 37.465 38.000 -0.043 0.000 1.051 858 I HN 0.036 nan 8.210 nan 0.000 0.409 859 R N -0.395 119.924 120.500 -0.301 0.000 2.105 859 R HA -0.234 4.103 4.340 -0.004 0.000 0.239 859 R C 2.379 178.494 176.300 -0.308 0.000 1.135 859 R CA 1.808 57.647 56.100 -0.434 0.000 0.967 859 R CB -0.563 29.387 30.300 -0.583 0.000 0.861 859 R HN 0.380 nan 8.270 nan 0.000 0.442 860 Y N 1.451 121.483 120.300 -0.448 0.000 2.133 860 Y HA -0.159 4.388 4.550 -0.005 0.000 0.287 860 Y C 2.188 177.920 175.900 -0.278 0.000 1.134 860 Y CA 1.378 59.190 58.100 -0.480 0.000 1.133 860 Y CB 0.003 38.156 38.460 -0.512 0.000 0.987 860 Y HN -0.178 nan 8.280 nan 0.000 0.502 861 R N -0.094 120.021 120.500 -0.642 0.000 2.096 861 R HA -0.145 4.192 4.340 -0.004 0.000 0.235 861 R C 2.674 178.748 176.300 -0.377 0.000 1.127 861 R CA 1.252 56.989 56.100 -0.606 0.000 0.968 861 R CB -1.244 28.710 30.300 -0.577 0.000 0.861 861 R HN 0.448 nan 8.270 nan 0.000 0.440 862 S N 0.122 115.672 115.700 -0.251 0.000 2.368 862 S HA -0.191 4.277 4.470 -0.004 0.000 0.225 862 S C 1.765 176.306 174.600 -0.098 0.000 1.030 862 S CA 1.219 59.344 58.200 -0.124 0.000 0.999 862 S CB -0.312 62.943 63.200 0.092 0.000 0.844 862 S HN 0.544 nan 8.310 nan 0.000 0.459 863 W N 1.709 122.839 121.300 -0.284 0.000 2.355 863 W HA -0.108 4.549 4.660 -0.005 0.000 0.309 863 W C 2.084 178.432 176.519 -0.285 0.000 1.206 863 W CA 1.735 58.923 57.345 -0.262 0.000 1.284 863 W CB -0.734 28.537 29.460 -0.315 0.000 1.145 863 W HN 0.127 nan 8.180 nan 0.000 0.502 864 V N 1.151 120.929 119.914 -0.226 0.000 2.287 864 V HA -0.305 3.813 4.120 -0.004 0.000 0.248 864 V C 2.426 178.353 176.094 -0.279 0.000 1.053 864 V CA 2.341 64.480 62.300 -0.269 0.000 1.027 864 V CB -0.926 30.747 31.823 -0.250 0.000 0.646 864 V HN 0.125 nan 8.190 nan 0.000 0.447 865 E N 0.149 120.195 120.200 -0.256 0.000 2.153 865 E HA -0.165 4.183 4.350 -0.004 0.000 0.194 865 E C 2.293 178.733 176.600 -0.266 0.000 0.988 865 E CA 1.427 57.694 56.400 -0.222 0.000 0.811 865 E CB -0.463 29.115 29.700 -0.203 0.000 0.746 865 E HN 0.598 nan 8.360 nan 0.000 0.466 866 A N 1.343 123.976 122.820 -0.312 0.000 1.898 866 A HA -0.170 4.147 4.320 -0.004 0.000 0.216 866 A C 1.995 179.329 177.584 -0.416 0.000 1.181 866 A CA 1.514 53.365 52.037 -0.309 0.000 0.620 866 A CB -0.742 18.082 19.000 -0.293 0.000 0.819 866 A HN 0.271 nan 8.150 nan 0.000 0.442 867 N N -0.991 117.313 118.700 -0.660 0.000 2.120 867 N HA -0.182 4.556 4.740 -0.004 0.000 0.188 867 N C 2.088 177.096 175.510 -0.836 0.000 1.024 867 N CA 1.133 53.662 53.050 -0.869 0.000 0.852 867 N CB -0.164 37.505 38.487 -1.364 0.000 1.003 867 N HN 0.496 nan 8.380 nan 0.000 0.424 868 R N 1.549 121.636 120.500 -0.688 0.000 2.083 868 R HA -0.081 4.257 4.340 -0.004 0.000 0.237 868 R C 2.082 177.990 176.300 -0.654 0.000 1.137 868 R CA 1.366 57.136 56.100 -0.550 0.000 0.951 868 R CB 0.009 30.147 30.300 -0.271 0.000 0.851 868 R HN 0.219 nan 8.270 nan 0.000 0.434 869 R N -0.921 119.345 120.500 -0.390 0.000 2.081 869 R HA -0.187 4.151 4.340 -0.004 0.000 0.235 869 R C 2.279 178.473 176.300 -0.177 0.000 1.131 869 R CA 1.684 57.647 56.100 -0.229 0.000 0.960 869 R CB -0.573 29.663 30.300 -0.107 0.000 0.856 869 R HN 0.320 nan 8.270 nan 0.000 0.436 870 Y N 1.341 121.453 120.300 -0.315 0.000 2.165 870 Y HA -0.255 4.292 4.550 -0.005 0.000 0.286 870 Y C 2.108 177.865 175.900 -0.239 0.000 1.155 870 Y CA 1.395 59.341 58.100 -0.257 0.000 1.164 870 Y CB -0.268 38.011 38.460 -0.302 0.000 0.978 870 Y HN -0.230 nan 8.280 nan 0.000 0.513 871 V N -0.117 119.612 119.914 -0.308 0.000 2.358 871 V HA -0.304 3.814 4.120 -0.004 0.000 0.246 871 V C 2.339 178.317 176.094 -0.194 0.000 1.047 871 V CA 2.181 64.302 62.300 -0.298 0.000 1.035 871 V CB -0.791 30.878 31.823 -0.257 0.000 0.658 871 V HN 0.454 nan 8.190 nan 0.000 0.452 872 H N 0.657 119.601 119.070 -0.210 0.000 2.290 872 H HA -0.134 4.419 4.556 -0.005 0.000 0.298 872 H C 2.370 177.620 175.328 -0.130 0.000 1.087 872 H CA 1.895 57.851 56.048 -0.153 0.000 1.291 872 H CB -0.355 29.353 29.762 -0.090 0.000 1.369 872 H HN 0.559 nan 8.280 nan 0.000 0.492 873 E N 0.329 120.511 120.200 -0.029 0.000 2.031 873 E HA -0.155 4.193 4.350 -0.004 0.000 0.193 873 E C 2.399 178.899 176.600 -0.166 0.000 0.994 873 E CA 0.802 57.147 56.400 -0.092 0.000 0.800 873 E CB -0.039 29.594 29.700 -0.112 0.000 0.752 873 E HN 0.251 nan 8.360 nan 0.000 0.447 874 R N 0.823 121.129 120.500 -0.323 0.000 2.148 874 R HA -0.090 4.248 4.340 -0.004 0.000 0.227 874 R C 2.052 178.239 176.300 -0.189 0.000 1.103 874 R CA 1.535 57.438 56.100 -0.328 0.000 0.983 874 R CB 0.003 29.956 30.300 -0.579 0.000 0.874 874 R HN 0.182 nan 8.270 nan 0.000 0.451 875 S N -0.198 115.416 115.700 -0.142 0.000 2.575 875 S HA 0.108 4.576 4.470 -0.004 0.000 0.215 875 S C 0.046 174.628 174.600 -0.031 0.000 0.966 875 S CA -0.269 57.888 58.200 -0.071 0.000 0.911 875 S CB 0.390 63.564 63.200 -0.043 0.000 0.780 875 S HN 0.164 nan 8.310 nan 0.000 0.514 876 K N 0.849 121.227 120.400 -0.035 0.000 3.162 876 K HA -0.154 4.164 4.320 -0.004 0.000 0.268 876 K C 0.866 177.478 176.600 0.019 0.000 1.062 876 K CA 0.648 56.927 56.287 -0.014 0.000 0.769 876 K CB -2.628 29.860 32.500 -0.020 0.000 1.274 876 K HN 1.225 nan 8.250 nan 0.000 0.478 877 G N -0.497 108.333 108.800 0.051 0.000 2.168 877 G HA2 -0.415 3.543 3.960 -0.004 0.000 0.257 877 G HA3 -0.415 3.543 3.960 -0.004 0.000 0.257 877 G C 0.745 175.772 174.900 0.212 0.000 0.997 877 G CA 1.783 46.951 45.100 0.113 0.000 0.708 877 G HN 0.803 nan 8.290 nan 0.000 0.520 878 T N -2.479 112.173 114.554 0.163 0.000 3.022 878 T HA 0.603 4.951 4.350 -0.004 0.000 0.250 878 T C 0.840 175.673 174.700 0.222 0.000 1.060 878 T CA 0.574 62.780 62.100 0.178 0.000 1.013 878 T CB 0.484 69.397 68.868 0.075 0.000 0.982 878 T HN 0.489 nan 8.240 nan 0.000 0.508 879 I N 1.292 121.930 120.570 0.113 0.000 2.545 879 I HA 0.648 4.816 4.170 -0.004 0.000 0.292 879 I C 0.541 176.464 176.117 -0.324 0.000 1.040 879 I CA -1.405 59.888 61.300 -0.011 0.000 1.068 879 I CB 2.216 40.214 38.000 -0.002 0.000 1.251 879 I HN 0.192 nan 8.210 nan 0.000 0.424 880 G N 3.543 112.136 108.800 -0.346 0.000 2.511 880 G HA2 0.549 4.506 3.960 -0.004 0.000 0.316 880 G HA3 0.549 4.506 3.960 -0.004 0.000 0.316 880 G C -1.998 172.870 174.900 -0.053 0.000 1.210 880 G CA -0.263 44.577 45.100 -0.433 0.000 0.969 880 G HN 0.524 nan 8.290 nan 0.000 0.492 881 Y N -0.707 119.492 120.300 -0.169 0.000 2.504 881 Y HA 0.690 5.237 4.550 -0.005 0.000 0.344 881 Y C -1.075 174.801 175.900 -0.040 0.000 1.023 881 Y CA -1.115 56.923 58.100 -0.103 0.000 1.020 881 Y CB 1.774 40.124 38.460 -0.183 0.000 1.282 881 Y HN 0.444 nan 8.280 nan 0.000 0.454 882 I N 5.872 126.024 120.570 -0.697 0.000 2.656 882 I HA 0.276 4.444 4.170 -0.004 0.000 0.292 882 I C -1.460 174.312 176.117 -0.575 0.000 1.144 882 I CA -0.790 60.233 61.300 -0.461 0.000 1.038 882 I CB 2.257 40.154 38.000 -0.172 0.000 1.244 882 I HN 0.654 nan 8.210 nan 0.000 0.420 883 H N 6.916 125.807 119.070 -0.297 0.000 2.538 883 H HA 0.572 5.126 4.556 -0.004 0.000 0.353 883 H C -1.527 173.906 175.328 0.176 0.000 1.109 883 H CA -0.618 55.426 56.048 -0.007 0.000 1.192 883 H CB 2.087 32.045 29.762 0.326 0.000 1.555 883 H HN 0.469 nan 8.280 nan 0.000 0.518 884 I N 8.104 128.333 120.570 -0.567 0.000 2.371 884 I HA 0.192 4.360 4.170 -0.004 0.000 0.282 884 I C -1.690 174.194 176.117 -0.388 0.000 1.031 884 I CA -2.030 59.085 61.300 -0.308 0.000 1.180 884 I CB 2.089 39.888 38.000 -0.336 0.000 1.336 884 I HN 0.454 nan 8.210 nan 0.000 0.467 885 P HA -0.057 nan 4.420 nan 0.000 0.225 885 P C -0.386 176.958 177.300 0.074 0.000 1.156 885 P CA 1.261 64.482 63.100 0.203 0.000 0.787 885 P CB 0.128 31.880 31.700 0.086 0.000 0.802 886 D N -2.755 117.650 120.400 0.009 0.000 2.769 886 D HA 0.118 4.756 4.640 -0.004 0.000 0.309 886 D C -0.247 176.024 176.300 -0.048 0.000 1.315 886 D CA -0.560 53.450 54.000 0.017 0.000 0.780 886 D CB -0.316 40.550 40.800 0.110 0.000 1.312 886 D HN -0.358 nan 8.370 nan 0.000 0.437 887 M N 0.779 120.352 119.600 -0.044 0.000 2.869 887 M HA 0.473 4.950 4.480 -0.004 0.000 0.338 887 M C 0.522 176.688 176.300 -0.225 0.000 1.227 887 M CA -0.226 54.980 55.300 -0.158 0.000 0.946 887 M CB 0.041 32.556 32.600 -0.142 0.000 1.299 887 M HN 0.589 nan 8.290 nan 0.000 0.518 888 G N -0.035 108.691 108.800 -0.124 0.000 3.008 888 G HA2 0.480 4.437 3.960 -0.004 0.000 0.181 888 G HA3 0.480 4.437 3.960 -0.004 0.000 0.181 888 G C 0.872 175.536 174.900 -0.394 0.000 1.309 888 G CA -0.333 44.561 45.100 -0.344 0.000 1.009 888 G HN 0.110 nan 8.290 nan 0.000 0.584 889 M N -0.158 119.111 119.600 -0.552 0.000 2.159 889 M HA 0.020 4.497 4.480 -0.004 0.000 0.263 889 M C 2.415 178.826 176.300 0.185 0.000 1.063 889 M CA 1.175 56.386 55.300 -0.149 0.000 1.110 889 M CB -1.118 31.427 32.600 -0.092 0.000 1.374 889 M HN 0.600 nan 8.290 nan 0.000 0.411 890 M N 0.046 119.855 119.600 0.349 0.000 2.117 890 M HA -0.123 4.355 4.480 -0.004 0.000 0.262 890 M C 2.008 178.426 176.300 0.196 0.000 1.065 890 M CA 2.082 57.560 55.300 0.296 0.000 1.114 890 M CB -0.558 32.110 32.600 0.113 0.000 1.361 890 M HN 0.303 nan 8.290 nan 0.000 0.408 891 G N 0.642 109.507 108.800 0.108 0.000 2.418 891 G HA2 -0.224 3.733 3.960 -0.004 0.000 0.217 891 G HA3 -0.224 3.733 3.960 -0.004 0.000 0.217 891 G C 1.289 176.224 174.900 0.058 0.000 1.158 891 G CA 0.659 45.783 45.100 0.040 0.000 0.771 891 G HN 0.379 nan 8.290 nan 0.000 0.545 892 L N 1.264 122.507 121.223 0.034 0.000 2.017 892 L HA -0.036 4.302 4.340 -0.004 0.000 0.208 892 L C 2.539 179.577 176.870 0.281 0.000 1.073 892 L CA 1.462 56.372 54.840 0.115 0.000 0.745 892 L CB -0.786 41.314 42.059 0.068 0.000 0.894 892 L HN 0.137 nan 8.230 nan 0.000 0.432 893 N N -0.365 118.480 118.700 0.242 0.000 2.043 893 N HA -0.176 4.562 4.740 -0.004 0.000 0.193 893 N C 1.672 177.344 175.510 0.270 0.000 1.037 893 N CA 1.440 54.643 53.050 0.255 0.000 0.851 893 N CB -0.275 38.348 38.487 0.228 0.000 1.027 893 N HN 0.355 nan 8.380 nan 0.000 0.422 894 E N 0.347 120.713 120.200 0.277 0.000 2.106 894 E HA -0.102 4.245 4.350 -0.004 0.000 0.192 894 E C 1.872 178.592 176.600 0.200 0.000 0.984 894 E CA 0.255 56.825 56.400 0.284 0.000 0.806 894 E CB -0.608 29.329 29.700 0.394 0.000 0.750 894 E HN 0.411 nan 8.360 nan 0.000 0.458 895 F N 0.704 120.664 119.950 0.017 0.000 2.075 895 F HA -0.267 4.258 4.527 -0.002 0.000 0.297 895 F C 2.115 177.879 175.800 -0.059 0.000 1.113 895 F CA 1.571 59.498 58.000 -0.122 0.000 1.218 895 F CB -0.377 38.409 39.000 -0.357 0.000 0.984 895 F HN -0.042 nan 8.300 nan 0.000 0.472 896 Y N 0.016 120.332 120.300 0.027 0.000 2.314 896 Y HA -0.124 4.424 4.550 -0.004 0.000 0.293 896 Y C 2.642 178.553 175.900 0.020 0.000 1.129 896 Y CA 1.229 59.323 58.100 -0.011 0.000 1.201 896 Y CB -0.491 38.028 38.460 0.099 0.000 0.999 896 Y HN 0.025 nan 8.280 nan 0.000 0.541 897 R N 0.104 120.722 120.500 0.196 0.000 2.139 897 R HA -0.203 4.135 4.340 -0.004 0.000 0.243 897 R C 1.211 177.564 176.300 0.087 0.000 1.145 897 R CA 1.683 57.868 56.100 0.142 0.000 0.976 897 R CB -0.213 30.180 30.300 0.154 0.000 0.866 897 R HN 0.290 nan 8.270 nan 0.000 0.449 898 L N -1.287 119.958 121.223 0.037 0.000 2.425 898 L HA 0.113 4.450 4.340 -0.004 0.000 0.215 898 L C 1.716 178.567 176.870 -0.032 0.000 1.065 898 L CA 0.616 55.460 54.840 0.007 0.000 0.842 898 L CB -0.571 41.483 42.059 -0.007 0.000 1.033 898 L HN 0.072 nan 8.230 nan 0.000 0.474 899 F N 1.794 121.554 119.950 -0.315 0.000 2.115 899 F HA -0.291 4.233 4.527 -0.005 0.000 0.300 899 F C 2.317 178.059 175.800 -0.096 0.000 1.092 899 F CA 2.224 60.012 58.000 -0.353 0.000 1.245 899 F CB -0.250 38.297 39.000 -0.754 0.000 0.995 899 F HN 0.169 nan 8.300 nan 0.000 0.481 900 I N -1.604 119.002 120.570 0.059 0.000 2.530 900 I HA -0.259 3.909 4.170 -0.004 0.000 0.257 900 I C 1.382 177.455 176.117 -0.073 0.000 1.179 900 I CA 1.750 63.053 61.300 0.005 0.000 1.440 900 I CB -0.661 37.398 38.000 0.099 0.000 1.087 900 I HN 0.215 nan 8.210 nan 0.000 0.440 901 N N 0.546 119.219 118.700 -0.045 0.000 2.407 901 N HA 0.029 4.767 4.740 -0.004 0.000 0.182 901 N C 1.217 176.778 175.510 0.084 0.000 1.079 901 N CA 0.411 53.469 53.050 0.014 0.000 0.882 901 N CB 0.352 38.880 38.487 0.069 0.000 1.106 901 N HN 0.466 nan 8.380 nan 0.000 0.461 902 E N 0.452 120.673 120.200 0.035 0.000 2.489 902 E HA 0.088 4.436 4.350 -0.004 0.000 0.204 902 E C 1.219 177.876 176.600 0.094 0.000 1.006 902 E CA 0.139 56.633 56.400 0.157 0.000 0.936 902 E CB 0.301 30.035 29.700 0.056 0.000 1.002 902 E HN 0.229 nan 8.360 nan 0.000 0.488 903 S N -0.208 115.376 115.700 -0.192 0.000 2.607 903 S HA 0.072 4.540 4.470 -0.004 0.000 0.224 903 S C 1.532 176.086 174.600 -0.077 0.000 0.969 903 S CA 0.130 58.178 58.200 -0.254 0.000 0.927 903 S CB 0.072 62.752 63.200 -0.868 0.000 0.772 903 S HN -0.109 nan 8.310 nan 0.000 0.533 904 S N 0.752 116.442 115.700 -0.018 0.000 2.601 904 S HA 0.424 4.892 4.470 -0.004 0.000 0.244 904 S C -0.617 173.948 174.600 -0.059 0.000 1.001 904 S CA -0.682 57.494 58.200 -0.039 0.000 0.984 904 S CB -0.109 63.032 63.200 -0.098 0.000 0.842 904 S HN 0.513 nan 8.310 nan 0.000 0.474 905 Y N 1.902 122.186 120.300 -0.027 0.000 2.344 905 Y HA 0.230 4.777 4.550 -0.005 0.000 0.330 905 Y C 1.950 177.854 175.900 0.007 0.000 1.330 905 Y CA -0.470 57.621 58.100 -0.014 0.000 1.479 905 Y CB 0.365 38.827 38.460 0.003 0.000 1.428 905 Y HN 0.044 nan 8.280 nan 0.000 0.544 906 Q N 0.154 120.058 119.800 0.174 0.000 2.167 906 Q HA 0.058 4.396 4.340 -0.004 0.000 0.202 906 Q C 0.471 176.541 176.000 0.115 0.000 0.970 906 Q CA 1.073 56.940 55.803 0.107 0.000 0.855 906 Q CB 0.032 28.816 28.738 0.077 0.000 0.911 906 Q HN 0.807 nan 8.270 nan 0.000 0.438 907 G N -0.122 108.762 108.800 0.141 0.000 2.630 907 G HA2 0.588 4.546 3.960 -0.004 0.000 0.296 907 G HA3 0.588 4.546 3.960 -0.004 0.000 0.296 907 G C -1.990 172.984 174.900 0.123 0.000 1.285 907 G CA -0.526 44.642 45.100 0.114 0.000 0.958 907 G HN 0.040 nan 8.290 nan 0.000 0.479 908 L N -0.015 121.278 121.223 0.118 0.000 2.493 908 L HA 0.667 5.005 4.340 -0.004 0.000 0.265 908 L C -1.286 175.659 176.870 0.126 0.000 0.954 908 L CA -0.589 54.321 54.840 0.117 0.000 0.844 908 L CB 1.865 44.012 42.059 0.147 0.000 1.302 908 L HN 0.467 nan 8.230 nan 0.000 0.405 909 I N 5.496 126.129 120.570 0.105 0.000 2.321 909 I HA 0.419 4.586 4.170 -0.004 0.000 0.291 909 I C -0.691 175.443 176.117 0.028 0.000 0.998 909 I CA -0.846 60.521 61.300 0.112 0.000 1.227 909 I CB 1.775 39.900 38.000 0.208 0.000 1.368 909 I HN 0.294 nan 8.210 nan 0.000 0.466 910 V N 5.421 125.354 119.914 0.031 0.000 2.294 910 V HA 0.180 4.298 4.120 -0.004 0.000 0.272 910 V C -0.267 175.796 176.094 -0.051 0.000 1.027 910 V CA -0.476 61.820 62.300 -0.007 0.000 0.823 910 V CB 1.297 33.199 31.823 0.131 0.000 1.030 910 V HN 0.597 nan 8.190 nan 0.000 0.457 911 D N 4.079 124.424 120.400 -0.091 0.000 2.347 911 D HA 0.251 4.889 4.640 -0.004 0.000 0.235 911 D C 0.625 176.917 176.300 -0.014 0.000 1.149 911 D CA -0.181 53.865 54.000 0.077 0.000 0.850 911 D CB 1.885 42.874 40.800 0.314 0.000 1.061 911 D HN 0.407 nan 8.370 nan 0.000 0.487 912 V N 1.820 121.719 119.914 -0.025 0.000 3.214 912 V HA 0.383 4.500 4.120 -0.004 0.000 0.330 912 V C 0.829 176.917 176.094 -0.009 0.000 1.403 912 V CA -0.626 61.592 62.300 -0.138 0.000 1.143 912 V CB -0.679 31.043 31.823 -0.168 0.000 1.098 912 V HN 0.258 nan 8.190 nan 0.000 0.463 913 R N 0.412 120.994 120.500 0.137 0.000 2.585 913 R HA 0.316 4.654 4.340 -0.004 0.000 0.275 913 R C 0.265 176.574 176.300 0.015 0.000 1.018 913 R CA 0.677 56.769 56.100 -0.014 0.000 1.072 913 R CB -0.122 30.189 30.300 0.018 0.000 0.953 913 R HN 0.473 nan 8.270 nan 0.000 0.419 914 F N -1.534 118.370 119.950 -0.076 0.000 2.794 914 F HA -0.341 4.184 4.527 -0.003 0.000 0.335 914 F C 0.740 176.467 175.800 -0.121 0.000 0.653 914 F CA 0.350 58.215 58.000 -0.225 0.000 1.266 914 F CB -1.368 37.068 39.000 -0.941 0.000 1.666 914 F HN 0.628 nan 8.300 nan 0.000 0.314 915 N N 1.880 120.608 118.700 0.046 0.000 2.414 915 N HA 0.080 4.817 4.740 -0.004 0.000 0.268 915 N C 1.226 176.754 175.510 0.030 0.000 1.286 915 N CA 1.108 54.169 53.050 0.017 0.000 0.896 915 N CB 1.094 39.552 38.487 -0.049 0.000 1.093 915 N HN 0.419 nan 8.380 nan 0.000 0.480 916 G N 2.122 110.946 108.800 0.039 0.000 2.848 916 G HA2 0.281 4.239 3.960 -0.004 0.000 0.208 916 G HA3 0.281 4.239 3.960 -0.004 0.000 0.208 916 G C 0.809 175.733 174.900 0.040 0.000 1.152 916 G CA 0.498 45.609 45.100 0.020 0.000 0.789 916 G HN 0.998 nan 8.290 nan 0.000 0.531 917 G N -1.597 107.241 108.800 0.063 0.000 2.660 917 G HA2 0.399 4.356 3.960 -0.004 0.000 0.215 917 G HA3 0.399 4.356 3.960 -0.004 0.000 0.215 917 G C 0.518 175.493 174.900 0.125 0.000 1.345 917 G CA 0.181 45.345 45.100 0.106 0.000 0.877 917 G HN 1.958 nan 8.290 nan 0.000 0.549 918 G N -2.772 106.130 108.800 0.170 0.000 2.113 918 G HA2 0.547 4.505 3.960 -0.004 0.000 0.082 918 G HA3 0.547 4.505 3.960 -0.004 0.000 0.082 918 G C 0.425 175.497 174.900 0.287 0.000 1.155 918 G CA 1.225 46.481 45.100 0.261 0.000 1.241 918 G HN 2.482 nan 8.290 nan 0.000 0.453 919 F N -0.814 119.126 119.950 -0.017 0.000 3.142 919 F HA 0.432 4.957 4.527 -0.004 0.000 0.376 919 F C 1.322 177.077 175.800 -0.075 0.000 1.161 919 F CA 0.907 58.872 58.000 -0.058 0.000 0.988 919 F CB -0.375 38.583 39.000 -0.070 0.000 1.457 919 F HN 0.946 nan 8.300 nan 0.000 0.516 920 V N -0.531 118.974 119.914 -0.681 0.000 3.577 920 V HA 0.149 4.267 4.120 -0.004 0.000 0.294 920 V C 2.151 178.075 176.094 -0.285 0.000 1.317 920 V CA 0.834 62.806 62.300 -0.548 0.000 1.169 920 V CB -0.998 30.450 31.823 -0.626 0.000 1.011 920 V HN 0.460 nan 8.190 nan 0.000 0.426 921 S N 2.321 117.923 115.700 -0.163 0.000 2.372 921 S HA -0.407 4.061 4.470 -0.004 0.000 0.227 921 S C 1.983 176.603 174.600 0.033 0.000 1.044 921 S CA 2.117 60.311 58.200 -0.009 0.000 1.050 921 S CB -0.922 62.357 63.200 0.131 0.000 0.901 921 S HN 0.902 nan 8.310 nan 0.000 0.447 922 Q N 1.381 121.182 119.800 0.002 0.000 2.181 922 Q HA -0.070 4.268 4.340 -0.004 0.000 0.205 922 Q C 2.309 178.290 176.000 -0.032 0.000 0.980 922 Q CA 1.595 57.405 55.803 0.012 0.000 0.862 922 Q CB -0.780 27.974 28.738 0.027 0.000 0.905 922 Q HN 0.616 nan 8.270 nan 0.000 0.429 923 L N 0.218 121.386 121.223 -0.091 0.000 2.109 923 L HA -0.093 4.245 4.340 -0.004 0.000 0.207 923 L C 2.509 179.257 176.870 -0.204 0.000 1.086 923 L CA 0.819 55.594 54.840 -0.108 0.000 0.760 923 L CB -0.373 41.618 42.059 -0.114 0.000 0.910 923 L HN 0.216 nan 8.230 nan 0.000 0.437 924 I N -0.289 120.077 120.570 -0.340 0.000 2.286 924 I HA -0.258 3.910 4.170 -0.004 0.000 0.245 924 I C 2.459 178.416 176.117 -0.267 0.000 1.104 924 I CA 0.930 61.849 61.300 -0.636 0.000 1.397 924 I CB -0.107 37.367 38.000 -0.877 0.000 1.072 924 I HN 0.169 nan 8.210 nan 0.000 0.417 925 I N 0.807 121.366 120.570 -0.019 0.000 2.226 925 I HA -0.293 3.875 4.170 -0.004 0.000 0.245 925 I C 2.537 178.641 176.117 -0.021 0.000 1.100 925 I CA 1.578 62.894 61.300 0.026 0.000 1.374 925 I CB -1.068 36.936 38.000 0.007 0.000 1.057 925 I HN 0.399 nan 8.210 nan 0.000 0.413 926 E N 1.296 121.476 120.200 -0.033 0.000 2.070 926 E HA -0.305 4.043 4.350 -0.004 0.000 0.197 926 E C 2.099 178.692 176.600 -0.012 0.000 1.004 926 E CA 1.833 58.224 56.400 -0.015 0.000 0.805 926 E CB 0.118 29.814 29.700 -0.007 0.000 0.744 926 E HN 0.177 nan 8.360 nan 0.000 0.451 927 K N 0.348 120.719 120.400 -0.048 0.000 2.025 927 K HA -0.023 4.295 4.320 -0.004 0.000 0.207 927 K C 2.064 178.700 176.600 0.060 0.000 1.049 927 K CA 1.046 57.315 56.287 -0.030 0.000 0.933 927 K CB -0.280 32.110 32.500 -0.183 0.000 0.714 927 K HN 0.181 nan 8.250 nan 0.000 0.438 928 L N 0.119 121.385 121.223 0.072 0.000 2.265 928 L HA -0.130 4.207 4.340 -0.004 0.000 0.215 928 L C 2.109 179.031 176.870 0.085 0.000 1.117 928 L CA 0.689 55.628 54.840 0.165 0.000 0.782 928 L CB -0.342 41.843 42.059 0.210 0.000 0.914 928 L HN 0.262 nan 8.230 nan 0.000 0.441 929 M N -0.720 118.897 119.600 0.029 0.000 2.419 929 M HA -0.043 4.434 4.480 -0.004 0.000 0.264 929 M C 0.421 176.729 176.300 0.014 0.000 1.082 929 M CA 0.494 55.791 55.300 -0.004 0.000 1.119 929 M CB -1.001 31.588 32.600 -0.019 0.000 1.398 929 M HN 0.253 nan 8.290 nan 0.000 0.453 930 N N 2.118 120.841 118.700 0.038 0.000 2.357 930 N HA -0.056 4.681 4.740 -0.004 0.000 0.257 930 N C -0.018 175.506 175.510 0.023 0.000 1.250 930 N CA 0.541 53.607 53.050 0.027 0.000 0.862 930 N CB 0.473 38.987 38.487 0.045 0.000 1.066 930 N HN 0.113 nan 8.380 nan 0.000 0.468 931 K N 2.536 122.937 120.400 0.003 0.000 2.240 931 K HA 0.195 4.513 4.320 -0.004 0.000 0.271 931 K C -0.483 176.110 176.600 -0.012 0.000 1.018 931 K CA -0.748 55.542 56.287 0.005 0.000 0.874 931 K CB 0.863 33.368 32.500 0.009 0.000 1.098 931 K HN 0.430 nan 8.250 nan 0.000 0.458 932 R N 5.589 126.078 120.500 -0.018 0.000 2.343 932 R HA 0.086 4.424 4.340 -0.004 0.000 0.326 932 R C 0.766 177.039 176.300 -0.044 0.000 1.055 932 R CA 0.192 56.252 56.100 -0.068 0.000 0.961 932 R CB 0.045 30.291 30.300 -0.089 0.000 0.978 932 R HN 0.776 nan 8.270 nan 0.000 0.443 933 I N 0.738 121.301 120.570 -0.010 0.000 4.240 933 I HA 0.504 4.671 4.170 -0.004 0.000 0.331 933 I C 0.361 176.498 176.117 0.033 0.000 1.381 933 I CA -0.387 60.936 61.300 0.038 0.000 1.136 933 I CB 1.082 39.134 38.000 0.087 0.000 1.137 933 I HN 0.606 nan 8.210 nan 0.000 0.411 934 G N 0.286 109.053 108.800 -0.056 0.000 2.488 934 G HA2 0.595 4.553 3.960 -0.004 0.000 0.301 934 G HA3 0.595 4.553 3.960 -0.004 0.000 0.301 934 G C -2.292 172.456 174.900 -0.255 0.000 1.339 934 G CA -0.548 44.529 45.100 -0.039 0.000 0.803 934 G HN 0.077 nan 8.290 nan 0.000 0.482 935 Y N -0.709 119.635 120.300 0.074 0.000 2.581 935 Y HA 0.459 5.006 4.550 -0.005 0.000 0.337 935 Y C -0.962 174.960 175.900 0.036 0.000 1.108 935 Y CA -0.921 57.220 58.100 0.069 0.000 1.033 935 Y CB 2.500 40.985 38.460 0.042 0.000 1.318 935 Y HN 0.383 nan 8.280 nan 0.000 0.459 936 D N 1.422 121.949 120.400 0.212 0.000 2.175 936 D HA 0.281 4.919 4.640 -0.004 0.000 0.248 936 D C -1.098 175.267 176.300 0.108 0.000 1.047 936 D CA -0.322 53.748 54.000 0.118 0.000 0.883 936 D CB 1.206 42.064 40.800 0.096 0.000 1.180 936 D HN 0.502 nan 8.370 nan 0.000 0.438 937 N N 2.373 121.111 118.700 0.063 0.000 2.564 937 N HA 0.336 5.074 4.740 -0.004 0.000 0.248 937 N C -2.280 173.244 175.510 0.024 0.000 0.986 937 N CA -0.999 52.072 53.050 0.035 0.000 0.921 937 N CB 1.554 40.053 38.487 0.020 0.000 1.136 937 N HN 0.178 nan 8.380 nan 0.000 0.509 938 P HA 0.324 nan 4.420 nan 0.000 0.282 938 P C 0.503 177.807 177.300 0.007 0.000 1.259 938 P CA -0.573 62.537 63.100 0.016 0.000 0.826 938 P CB 1.910 33.622 31.700 0.020 0.000 1.064 939 R N 1.771 122.274 120.500 0.006 0.000 2.073 939 R HA -0.085 4.253 4.340 -0.004 0.000 0.234 939 R C 0.925 177.225 176.300 0.000 0.000 1.134 939 R CA 1.566 57.667 56.100 0.002 0.000 0.952 939 R CB -0.230 30.072 30.300 0.003 0.000 0.850 939 R HN 0.666 nan 8.270 nan 0.000 0.433 940 R N -1.367 119.134 120.500 0.002 0.000 2.750 940 R HA 0.634 4.972 4.340 -0.004 0.000 0.281 940 R C -0.314 175.987 176.300 0.002 0.000 0.972 940 R CA -0.510 55.590 56.100 0.000 0.000 0.912 940 R CB 1.636 31.936 30.300 0.001 0.000 1.187 940 R HN 0.246 nan 8.270 nan 0.000 0.464 941 G N 0.849 109.648 108.800 -0.002 0.000 2.582 941 G HA2 -0.134 3.824 3.960 -0.004 0.000 0.222 941 G HA3 -0.134 3.824 3.960 -0.004 0.000 0.222 941 G C -0.523 174.374 174.900 -0.004 0.000 1.311 941 G CA -0.355 44.744 45.100 -0.001 0.000 0.915 941 G HN 1.071 nan 8.290 nan 0.000 0.528 942 T N -1.626 112.927 114.554 -0.001 0.000 2.938 942 T HA 0.743 5.091 4.350 -0.004 0.000 0.285 942 T C 0.788 175.496 174.700 0.014 0.000 1.028 942 T CA -0.629 61.467 62.100 -0.006 0.000 1.005 942 T CB 1.401 70.260 68.868 -0.015 0.000 1.157 942 T HN 0.977 nan 8.240 nan 0.000 0.550 943 L N 1.741 122.966 121.223 0.004 0.000 2.485 943 L HA 0.268 4.606 4.340 -0.004 0.000 0.275 943 L C 0.396 177.350 176.870 0.139 0.000 1.207 943 L CA -0.157 54.715 54.840 0.054 0.000 0.855 943 L CB 0.509 42.540 42.059 -0.048 0.000 1.114 943 L HN 0.718 nan 8.230 nan 0.000 0.485 944 S N 3.871 119.687 115.700 0.193 0.000 2.456 944 S HA 0.412 4.880 4.470 -0.004 0.000 0.316 944 S C -2.253 172.487 174.600 0.233 0.000 1.089 944 S CA -1.134 57.170 58.200 0.174 0.000 1.101 944 S CB 1.606 64.880 63.200 0.124 0.000 0.995 944 S HN 0.426 nan 8.310 nan 0.000 0.468 945 P HA 0.189 nan 4.420 nan 0.000 0.274 945 P C -1.390 175.882 177.300 -0.046 0.000 1.231 945 P CA -0.332 62.713 63.100 -0.092 0.000 0.790 945 P CB 0.534 32.191 31.700 -0.072 0.000 0.951 946 Y N 2.901 123.045 120.300 -0.260 0.000 2.346 946 Y HA 0.451 4.998 4.550 -0.004 0.000 0.332 946 Y C -2.678 173.147 175.900 -0.125 0.000 0.985 946 Y CA -2.635 55.389 58.100 -0.127 0.000 1.112 946 Y CB 1.850 40.256 38.460 -0.090 0.000 1.170 946 Y HN 0.260 nan 8.280 nan 0.000 0.447 947 P HA 0.163 nan 4.420 nan 0.000 0.272 947 P C 0.443 177.605 177.300 -0.229 0.000 1.240 947 P CA 0.073 62.785 63.100 -0.646 0.000 0.791 947 P CB 1.036 32.467 31.700 -0.449 0.000 0.978 948 T N -0.526 113.949 114.554 -0.131 0.000 2.746 948 T HA -0.128 4.220 4.350 -0.004 0.000 0.267 948 T C 0.726 175.462 174.700 0.060 0.000 1.039 948 T CA 1.553 63.650 62.100 -0.006 0.000 1.142 948 T CB -0.937 67.952 68.868 0.035 0.000 0.866 948 T HN 0.491 nan 8.240 nan 0.000 0.444 949 N N 1.961 120.726 118.700 0.108 0.000 2.802 949 N HA 0.166 4.904 4.740 -0.004 0.000 0.288 949 N C -0.573 175.129 175.510 0.319 0.000 1.268 949 N CA -0.444 52.796 53.050 0.316 0.000 1.035 949 N CB 0.266 38.928 38.487 0.292 0.000 1.353 949 N HN 0.299 nan 8.380 nan 0.000 0.522 950 S N -1.282 114.517 115.700 0.166 0.000 2.501 950 S HA 0.462 4.929 4.470 -0.004 0.000 0.301 950 S C -0.020 174.653 174.600 0.121 0.000 1.096 950 S CA -0.877 57.401 58.200 0.130 0.000 1.063 950 S CB 1.797 64.999 63.200 0.004 0.000 1.042 950 S HN -0.136 nan 8.310 nan 0.000 0.494 951 V N 4.118 124.128 119.914 0.160 0.000 2.555 951 V HA 0.281 4.399 4.120 -0.004 0.000 0.286 951 V C 1.901 178.039 176.094 0.072 0.000 1.044 951 V CA -0.404 61.968 62.300 0.121 0.000 1.026 951 V CB 0.718 32.653 31.823 0.186 0.000 0.981 951 V HN 1.065 nan 8.190 nan 0.000 0.480 952 R N 3.042 123.574 120.500 0.054 0.000 2.096 952 R HA -0.013 4.325 4.340 -0.004 0.000 0.235 952 R C 1.064 177.408 176.300 0.073 0.000 1.127 952 R CA 1.557 57.694 56.100 0.061 0.000 0.968 952 R CB 0.020 30.356 30.300 0.060 0.000 0.861 952 R HN 0.898 nan 8.270 nan 0.000 0.440 953 G N -0.456 108.393 108.800 0.082 0.000 3.253 953 G HA2 0.242 4.200 3.960 -0.004 0.000 0.175 953 G HA3 0.242 4.200 3.960 -0.004 0.000 0.175 953 G C -1.201 173.747 174.900 0.081 0.000 1.098 953 G CA -0.656 44.491 45.100 0.077 0.000 0.790 953 G HN -0.052 nan 8.290 nan 0.000 0.648 954 K N 0.549 120.996 120.400 0.079 0.000 2.326 954 K HA 0.438 4.756 4.320 -0.004 0.000 0.275 954 K C -0.353 176.317 176.600 0.118 0.000 1.018 954 K CA 0.149 56.485 56.287 0.082 0.000 0.962 954 K CB 1.223 33.763 32.500 0.067 0.000 0.953 954 K HN 0.315 nan 8.250 nan 0.000 0.475 955 I N 2.585 123.243 120.570 0.147 0.000 2.693 955 I HA 0.497 4.665 4.170 -0.004 0.000 0.303 955 I C -0.185 176.113 176.117 0.301 0.000 1.025 955 I CA -1.120 60.324 61.300 0.240 0.000 1.086 955 I CB 1.790 39.982 38.000 0.320 0.000 1.268 955 I HN 0.429 nan 8.210 nan 0.000 0.440 956 I N 3.155 123.897 120.570 0.287 0.000 2.656 956 I HA 0.697 4.865 4.170 -0.004 0.000 0.292 956 I C -1.042 175.100 176.117 0.043 0.000 1.144 956 I CA -0.283 61.149 61.300 0.219 0.000 1.038 956 I CB 1.810 39.895 38.000 0.141 0.000 1.244 956 I HN 0.714 nan 8.210 nan 0.000 0.420 957 A N 7.722 130.426 122.820 -0.194 0.000 2.340 957 A HA 0.855 5.173 4.320 -0.004 0.000 0.331 957 A C -1.059 176.444 177.584 -0.135 0.000 1.140 957 A CA -0.559 51.237 52.037 -0.402 0.000 0.801 957 A CB 1.001 19.286 19.000 -1.193 0.000 1.234 957 A HN 0.607 nan 8.150 nan 0.000 0.469 958 I N 1.294 121.836 120.570 -0.047 0.000 2.436 958 I HA 0.501 4.669 4.170 -0.004 0.000 0.289 958 I C 0.061 176.198 176.117 0.032 0.000 1.010 958 I CA -0.254 61.069 61.300 0.038 0.000 1.098 958 I CB 2.160 40.239 38.000 0.132 0.000 1.266 958 I HN 0.628 nan 8.210 nan 0.000 0.434 959 T N 4.494 119.058 114.554 0.017 0.000 2.896 959 T HA 0.631 4.979 4.350 -0.004 0.000 0.297 959 T C -1.035 173.645 174.700 -0.032 0.000 1.108 959 T CA -0.559 61.542 62.100 0.003 0.000 1.004 959 T CB 1.740 70.621 68.868 0.023 0.000 1.159 959 T HN 0.846 nan 8.240 nan 0.000 0.499 960 N N 0.508 119.153 118.700 -0.091 0.000 3.278 960 N HA 0.292 5.030 4.740 -0.004 0.000 0.307 960 N C 0.618 176.017 175.510 -0.186 0.000 1.551 960 N CA -0.692 52.265 53.050 -0.155 0.000 0.794 960 N CB 0.300 38.639 38.487 -0.246 0.000 1.770 960 N HN 0.567 nan 8.380 nan 0.000 0.612 961 E N -0.604 119.404 120.200 -0.319 0.000 2.418 961 E HA -0.146 4.202 4.350 -0.004 0.000 0.197 961 E C 0.068 176.461 176.600 -0.344 0.000 1.026 961 E CA 1.027 57.230 56.400 -0.328 0.000 0.862 961 E CB -0.513 28.935 29.700 -0.420 0.000 0.799 961 E HN 0.738 nan 8.360 nan 0.000 0.518 962 Y N 0.990 121.219 120.300 -0.118 0.000 2.468 962 Y HA 0.389 4.937 4.550 -0.004 0.000 0.268 962 Y C 1.068 176.906 175.900 -0.103 0.000 1.177 962 Y CA -0.167 57.862 58.100 -0.117 0.000 1.265 962 Y CB 0.640 38.980 38.460 -0.199 0.000 1.103 962 Y HN 0.045 nan 8.280 nan 0.000 0.522 963 A N 0.660 123.499 122.820 0.032 0.000 2.292 963 A HA 0.787 5.105 4.320 -0.004 0.000 0.319 963 A C 0.372 178.066 177.584 0.182 0.000 1.206 963 A CA 0.127 52.204 52.037 0.065 0.000 0.835 963 A CB 0.409 19.433 19.000 0.040 0.000 1.164 963 A HN 0.308 nan 8.150 nan 0.000 0.505 964 G N -0.326 108.595 108.800 0.202 0.000 2.608 964 G HA2 0.614 4.571 3.960 -0.004 0.000 0.291 964 G HA3 0.614 4.571 3.960 -0.004 0.000 0.291 964 G C 0.028 175.181 174.900 0.422 0.000 1.425 964 G CA 0.665 46.032 45.100 0.445 0.000 0.787 964 G HN 1.864 nan 8.290 nan 0.000 0.484 965 S N -1.141 114.950 115.700 0.652 0.000 4.140 965 S HA -0.336 4.132 4.470 -0.004 0.000 0.618 965 S C 1.440 176.194 174.600 0.257 0.000 1.896 965 S CA 2.199 60.711 58.200 0.520 0.000 4.240 965 S CB -1.517 62.013 63.200 0.550 0.000 0.208 965 S HN 1.238 nan 8.310 nan 0.000 0.487 966 D N 0.978 121.483 120.400 0.174 0.000 2.351 966 D HA 0.124 4.762 4.640 -0.004 0.000 0.216 966 D C 1.624 177.995 176.300 0.118 0.000 0.968 966 D CA 1.712 55.759 54.000 0.078 0.000 0.899 966 D CB -0.805 40.027 40.800 0.053 0.000 0.907 966 D HN 0.518 nan 8.370 nan 0.000 0.514 967 G N -0.555 108.338 108.800 0.156 0.000 2.494 967 G HA2 -0.141 3.817 3.960 -0.004 0.000 0.216 967 G HA3 -0.141 3.817 3.960 -0.004 0.000 0.216 967 G C 1.427 176.474 174.900 0.245 0.000 1.140 967 G CA 0.148 45.346 45.100 0.163 0.000 0.801 967 G HN 0.192 nan 8.290 nan 0.000 0.536 968 D N 0.857 121.415 120.400 0.264 0.000 2.103 968 D HA -0.031 4.607 4.640 -0.004 0.000 0.199 968 D C 2.581 179.065 176.300 0.307 0.000 0.978 968 D CA 0.441 54.612 54.000 0.286 0.000 0.829 968 D CB 0.083 41.063 40.800 0.300 0.000 0.981 968 D HN 0.306 nan 8.370 nan 0.000 0.464 969 I N 0.492 121.200 120.570 0.230 0.000 2.226 969 I HA -0.260 3.908 4.170 -0.004 0.000 0.245 969 I C 2.367 178.681 176.117 0.329 0.000 1.100 969 I CA 0.794 62.231 61.300 0.227 0.000 1.374 969 I CB -0.262 37.633 38.000 -0.176 0.000 1.057 969 I HN -0.080 nan 8.210 nan 0.000 0.413 970 F N 1.527 121.553 119.950 0.127 0.000 2.113 970 F HA -0.207 4.318 4.527 -0.003 0.000 0.297 970 F C 2.682 178.579 175.800 0.162 0.000 1.103 970 F CA 1.740 59.808 58.000 0.114 0.000 1.248 970 F CB -0.209 38.809 39.000 0.029 0.000 0.999 970 F HN -0.092 nan 8.300 nan 0.000 0.475 971 S N 0.337 116.213 115.700 0.294 0.000 2.368 971 S HA -0.213 4.254 4.470 -0.004 0.000 0.225 971 S C 1.827 176.486 174.600 0.099 0.000 1.030 971 S CA 1.493 59.793 58.200 0.167 0.000 0.999 971 S CB -0.860 62.453 63.200 0.188 0.000 0.844 971 S HN 0.503 nan 8.310 nan 0.000 0.459 972 F N 2.454 122.404 119.950 0.001 0.000 2.113 972 F HA -0.134 4.390 4.527 -0.004 0.000 0.297 972 F C 2.511 178.182 175.800 -0.214 0.000 1.103 972 F CA 1.440 59.341 58.000 -0.164 0.000 1.248 972 F CB -0.560 38.218 39.000 -0.369 0.000 0.999 972 F HN 0.084 nan 8.300 nan 0.000 0.475 973 S N 0.380 116.124 115.700 0.074 0.000 2.370 973 S HA -0.241 4.227 4.470 -0.004 0.000 0.226 973 S C 1.853 176.345 174.600 -0.179 0.000 1.033 973 S CA 1.459 59.652 58.200 -0.012 0.000 1.011 973 S CB -0.967 62.279 63.200 0.077 0.000 0.852 973 S HN 0.476 nan 8.310 nan 0.000 0.457 974 F N 2.384 122.095 119.950 -0.398 0.000 2.091 974 F HA -0.210 4.314 4.527 -0.004 0.000 0.299 974 F C 2.139 177.779 175.800 -0.267 0.000 1.103 974 F CA 1.616 59.385 58.000 -0.386 0.000 1.228 974 F CB -0.168 38.577 39.000 -0.426 0.000 0.984 974 F HN 0.082 nan 8.300 nan 0.000 0.477 975 K N -0.206 120.138 120.400 -0.092 0.000 2.001 975 K HA -0.207 4.111 4.320 -0.004 0.000 0.208 975 K C 2.068 178.482 176.600 -0.311 0.000 1.048 975 K CA 1.555 57.729 56.287 -0.188 0.000 0.932 975 K CB -0.339 32.008 32.500 -0.255 0.000 0.715 975 K HN 0.004 nan 8.250 nan 0.000 0.437 976 K N 1.610 121.741 120.400 -0.448 0.000 2.059 976 K HA -0.134 4.183 4.320 -0.004 0.000 0.212 976 K C 1.646 178.106 176.600 -0.233 0.000 1.050 976 K CA 1.452 57.505 56.287 -0.390 0.000 0.927 976 K CB -0.251 31.997 32.500 -0.419 0.000 0.714 976 K HN 0.068 nan 8.250 nan 0.000 0.447 977 L N -0.659 120.430 121.223 -0.224 0.000 2.599 977 L HA 0.176 4.514 4.340 -0.004 0.000 0.230 977 L C 1.034 177.771 176.870 -0.222 0.000 1.141 977 L CA 0.344 55.072 54.840 -0.188 0.000 0.877 977 L CB -0.261 41.690 42.059 -0.179 0.000 1.009 977 L HN 0.572 nan 8.230 nan 0.000 0.447 978 G N 0.113 108.757 108.800 -0.260 0.000 2.198 978 G HA2 -0.295 3.663 3.960 -0.004 0.000 0.260 978 G HA3 -0.295 3.663 3.960 -0.004 0.000 0.260 978 G C 0.626 175.334 174.900 -0.321 0.000 1.025 978 G CA 0.192 45.150 45.100 -0.237 0.000 0.769 978 G HN 0.225 nan 8.290 nan 0.000 0.507 979 L N -0.387 120.483 121.223 -0.588 0.000 2.191 979 L HA 0.412 4.750 4.340 -0.004 0.000 0.212 979 L C 1.933 178.456 176.870 -0.579 0.000 1.103 979 L CA 2.580 56.962 54.840 -0.764 0.000 0.769 979 L CB -0.578 40.608 42.059 -1.454 0.000 0.908 979 L HN 1.166 nan 8.230 nan 0.000 0.438 980 G N -2.536 105.998 108.800 -0.442 0.000 2.333 980 G HA2 0.142 4.100 3.960 -0.004 0.000 0.288 980 G HA3 0.142 4.100 3.960 -0.004 0.000 0.288 980 G C -1.348 173.704 174.900 0.253 0.000 1.286 980 G CA -0.941 44.189 45.100 0.051 0.000 0.865 980 G HN -0.259 nan 8.290 nan 0.000 0.506 981 K N -0.267 120.298 120.400 0.275 0.000 2.185 981 K HA 0.588 4.906 4.320 -0.004 0.000 0.271 981 K C -0.702 176.038 176.600 0.233 0.000 1.013 981 K CA -0.617 55.799 56.287 0.215 0.000 0.943 981 K CB 1.966 34.561 32.500 0.159 0.000 0.998 981 K HN 0.425 nan 8.250 nan 0.000 0.468 982 L N 3.405 124.714 121.223 0.144 0.000 2.296 982 L HA 0.430 4.768 4.340 -0.004 0.000 0.286 982 L C -1.065 175.832 176.870 0.044 0.000 1.023 982 L CA -0.472 54.398 54.840 0.050 0.000 0.812 982 L CB 0.811 42.893 42.059 0.038 0.000 1.223 982 L HN 0.430 nan 8.230 nan 0.000 0.421 983 I N 4.434 125.026 120.570 0.036 0.000 2.646 983 I HA 0.938 5.105 4.170 -0.004 0.000 0.299 983 I C 0.572 176.696 176.117 0.012 0.000 1.036 983 I CA 0.343 61.666 61.300 0.038 0.000 1.074 983 I CB 1.774 39.854 38.000 0.134 0.000 1.258 983 I HN 0.788 nan 8.210 nan 0.000 0.430 984 G N 3.073 111.859 108.800 -0.022 0.000 2.217 984 G HA2 0.213 4.171 3.960 -0.004 0.000 0.173 984 G HA3 0.213 4.171 3.960 -0.004 0.000 0.173 984 G C -0.702 174.180 174.900 -0.030 0.000 1.324 984 G CA -0.182 44.909 45.100 -0.015 0.000 1.225 984 G HN 0.861 nan 8.290 nan 0.000 0.494 985 T N -1.980 112.554 114.554 -0.034 0.000 2.907 985 T HA 0.702 5.050 4.350 -0.004 0.000 0.292 985 T C 0.073 174.735 174.700 -0.064 0.000 1.043 985 T CA -0.085 61.987 62.100 -0.048 0.000 1.003 985 T CB 2.327 71.166 68.868 -0.047 0.000 1.084 985 T HN 0.978 nan 8.240 nan 0.000 0.483 986 R N 2.012 122.462 120.500 -0.083 0.000 2.494 986 R HA 0.166 4.504 4.340 -0.004 0.000 0.291 986 R C 0.910 177.156 176.300 -0.090 0.000 0.953 986 R CA 0.430 56.462 56.100 -0.113 0.000 1.098 986 R CB -0.237 29.933 30.300 -0.216 0.000 0.911 986 R HN 0.935 nan 8.270 nan 0.000 0.407 987 T N 1.565 116.103 114.554 -0.026 0.000 2.667 987 T HA -0.082 4.265 4.350 -0.004 0.000 0.305 987 T C 0.962 175.750 174.700 0.147 0.000 1.022 987 T CA -0.158 61.983 62.100 0.068 0.000 0.995 987 T CB 0.392 69.345 68.868 0.142 0.000 1.026 987 T HN 0.841 nan 8.240 nan 0.000 0.527 988 W N 1.751 123.088 121.300 0.062 0.000 2.318 988 W HA 0.061 4.719 4.660 -0.003 0.000 0.313 988 W C 1.717 178.396 176.519 0.266 0.000 1.221 988 W CA 2.091 59.539 57.345 0.172 0.000 1.266 988 W CB -1.011 28.576 29.460 0.211 0.000 1.150 988 W HN 1.395 nan 8.180 nan 0.000 0.496 989 G N -0.097 108.838 108.800 0.224 0.000 2.303 989 G HA2 -0.019 3.938 3.960 -0.004 0.000 0.260 989 G HA3 -0.019 3.938 3.960 -0.004 0.000 0.260 989 G C 0.072 174.979 174.900 0.012 0.000 1.106 989 G CA -0.027 45.130 45.100 0.094 0.000 0.900 989 G HN 1.014 nan 8.290 nan 0.000 0.495 990 G N -0.897 107.869 108.800 -0.057 0.000 2.938 990 G HA2 0.661 4.619 3.960 -0.004 0.000 0.308 990 G HA3 0.661 4.619 3.960 -0.004 0.000 0.308 990 G C 0.344 175.425 174.900 0.301 0.000 1.422 990 G CA 0.211 45.185 45.100 -0.211 0.000 1.071 990 G HN 1.612 nan 8.290 nan 0.000 0.530 991 V N 0.333 120.355 119.914 0.179 0.000 2.854 991 V HA 0.414 4.531 4.120 -0.004 0.000 0.366 991 V C -0.311 175.781 176.094 -0.004 0.000 1.322 991 V CA -0.638 61.741 62.300 0.131 0.000 1.243 991 V CB 0.446 32.345 31.823 0.127 0.000 1.337 991 V HN 0.228 nan 8.190 nan 0.000 0.585 992 V N 2.273 122.131 119.914 -0.094 0.000 2.293 992 V HA 0.752 4.870 4.120 -0.004 0.000 0.275 992 V C 1.310 177.186 176.094 -0.363 0.000 1.021 992 V CA 0.199 62.359 62.300 -0.234 0.000 0.815 992 V CB 0.792 32.440 31.823 -0.293 0.000 1.025 992 V HN 0.606 nan 8.190 nan 0.000 0.448 993 G N 4.791 113.439 108.800 -0.253 0.000 2.684 993 G HA2 0.552 4.510 3.960 -0.004 0.000 0.255 993 G HA3 0.552 4.510 3.960 -0.004 0.000 0.255 993 G C -0.324 174.584 174.900 0.015 0.000 1.219 993 G CA -0.206 44.743 45.100 -0.251 0.000 0.901 993 G HN 0.883 nan 8.290 nan 0.000 0.548 994 I N -4.120 116.454 120.570 0.006 0.000 2.969 994 I HA 0.777 4.945 4.170 -0.004 0.000 0.307 994 I C -0.882 175.303 176.117 0.113 0.000 1.149 994 I CA -0.958 60.419 61.300 0.129 0.000 1.008 994 I CB 2.698 40.704 38.000 0.011 0.000 1.232 994 I HN 0.343 nan 8.210 nan 0.000 0.435 995 T N 3.261 117.938 114.554 0.204 0.000 3.365 995 T HA 0.309 4.657 4.350 -0.004 0.000 0.290 995 T C -2.599 172.150 174.700 0.083 0.000 0.941 995 T CA -0.478 61.676 62.100 0.091 0.000 1.522 995 T CB 0.511 69.434 68.868 0.091 0.000 0.865 995 T HN 0.589 nan 8.240 nan 0.000 0.572 996 P HA 0.265 nan 4.420 nan 0.000 0.269 996 P C -0.042 177.289 177.300 0.053 0.000 1.209 996 P CA -0.275 62.855 63.100 0.049 0.000 0.776 996 P CB 1.020 32.748 31.700 0.047 0.000 0.876 997 K N 0.949 121.400 120.400 0.085 0.000 2.562 997 K HA 0.341 4.659 4.320 -0.004 0.000 0.201 997 K C 0.441 177.204 176.600 0.272 0.000 1.131 997 K CA -0.527 55.837 56.287 0.128 0.000 1.059 997 K CB 0.986 33.488 32.500 0.002 0.000 0.913 997 K HN 0.224 nan 8.250 nan 0.000 0.563 998 R N 1.140 121.761 120.500 0.201 0.000 2.604 998 R HA 0.417 4.755 4.340 -0.004 0.000 0.281 998 R C -1.114 175.249 176.300 0.104 0.000 1.020 998 R CA -0.717 55.488 56.100 0.176 0.000 0.899 998 R CB 2.253 32.662 30.300 0.181 0.000 1.205 998 R HN 0.042 nan 8.270 nan 0.000 0.450 999 R N 2.156 122.707 120.500 0.084 0.000 2.787 999 R HA 0.510 4.848 4.340 -0.004 0.000 0.271 999 R C -0.056 176.277 176.300 0.055 0.000 0.993 999 R CA -0.885 55.259 56.100 0.074 0.000 0.993 999 R CB 1.341 31.692 30.300 0.085 0.000 1.155 999 R HN 0.296 nan 8.270 nan 0.000 0.486 1000 L N 2.319 123.575 121.223 0.055 0.000 2.479 1000 L HA 0.206 4.544 4.340 -0.004 0.000 0.248 1000 L C 2.144 179.037 176.870 0.039 0.000 1.205 1000 L CA -0.153 54.708 54.840 0.036 0.000 0.817 1000 L CB 0.367 42.445 42.059 0.031 0.000 1.162 1000 L HN 0.744 nan 8.230 nan 0.000 0.486 1001 I N -1.493 119.085 120.570 0.013 0.000 2.530 1001 I HA -0.204 3.964 4.170 -0.004 0.000 0.257 1001 I C 1.244 177.363 176.117 0.004 0.000 1.179 1001 I CA 1.330 62.632 61.300 0.002 0.000 1.440 1001 I CB -0.495 37.482 38.000 -0.039 0.000 1.087 1001 I HN 0.746 nan 8.210 nan 0.000 0.440 1002 D N 0.822 121.222 120.400 0.000 0.000 2.342 1002 D HA 0.163 4.801 4.640 -0.004 0.000 0.221 1002 D C 1.544 178.015 176.300 0.285 0.000 1.101 1002 D CA 0.432 54.438 54.000 0.010 0.000 0.837 1002 D CB 0.376 41.118 40.800 -0.096 0.000 0.938 1002 D HN 0.522 nan 8.370 nan 0.000 0.508 1003 G N 0.089 109.026 108.800 0.229 0.000 2.195 1003 G HA2 -0.271 3.687 3.960 -0.004 0.000 0.246 1003 G HA3 -0.271 3.687 3.960 -0.004 0.000 0.246 1003 G C 0.477 175.463 174.900 0.144 0.000 0.984 1003 G CA 0.224 45.445 45.100 0.202 0.000 0.633 1003 G HN 0.431 nan 8.290 nan 0.000 0.525 1004 T N 1.260 115.889 114.554 0.125 0.000 2.871 1004 T HA 0.388 4.736 4.350 -0.004 0.000 0.296 1004 T C 0.500 175.259 174.700 0.099 0.000 0.998 1004 T CA 0.370 62.541 62.100 0.119 0.000 1.162 1004 T CB 1.974 70.898 68.868 0.093 0.000 0.947 1004 T HN 0.503 nan 8.240 nan 0.000 0.536 1005 V N 6.191 126.165 119.914 0.099 0.000 2.318 1005 V HA 0.325 4.442 4.120 -0.004 0.000 0.271 1005 V C 0.265 176.410 176.094 0.085 0.000 1.030 1005 V CA -0.584 61.765 62.300 0.082 0.000 0.844 1005 V CB 0.522 32.387 31.823 0.070 0.000 1.015 1005 V HN 0.693 nan 8.190 nan 0.000 0.460 1006 L N 4.729 125.994 121.223 0.071 0.000 2.360 1006 L HA 0.730 5.067 4.340 -0.004 0.000 0.271 1006 L C 0.539 177.437 176.870 0.047 0.000 1.057 1006 L CA -0.260 54.617 54.840 0.062 0.000 0.803 1006 L CB 2.062 44.142 42.059 0.035 0.000 1.207 1006 L HN 0.734 nan 8.230 nan 0.000 0.445 1007 T N -0.695 113.879 114.554 0.034 0.000 2.893 1007 T HA 0.685 5.033 4.350 -0.004 0.000 0.291 1007 T C -0.717 173.939 174.700 -0.073 0.000 1.028 1007 T CA -0.943 61.153 62.100 -0.007 0.000 0.995 1007 T CB 2.106 70.971 68.868 -0.006 0.000 1.051 1007 T HN 0.431 nan 8.240 nan 0.000 0.470 1008 Q N 2.283 122.033 119.800 -0.082 0.000 2.337 1008 Q HA 0.469 4.807 4.340 -0.004 0.000 0.270 1008 Q C -2.730 173.208 176.000 -0.103 0.000 1.043 1008 Q CA -2.204 53.526 55.803 -0.122 0.000 0.794 1008 Q CB 2.344 30.992 28.738 -0.150 0.000 1.281 1008 Q HN 0.481 nan 8.270 nan 0.000 0.446 1009 P HA -0.028 nan 4.420 nan 0.000 0.266 1009 P C -0.418 176.793 177.300 -0.148 0.000 1.419 1009 P CA 0.382 63.433 63.100 -0.082 0.000 1.112 1009 P CB 0.622 32.317 31.700 -0.008 0.000 1.438 1010 E N 1.942 122.008 120.200 -0.223 0.000 2.364 1010 E HA 0.060 4.408 4.350 -0.004 0.000 0.196 1010 E C -0.444 175.712 176.600 -0.740 0.000 0.990 1010 E CA 0.267 56.354 56.400 -0.521 0.000 0.886 1010 E CB 0.179 29.429 29.700 -0.750 0.000 0.866 1010 E HN 0.308 nan 8.360 nan 0.000 0.493 1011 F N 0.655 120.520 119.950 -0.142 0.000 2.513 1011 F HA 0.469 4.994 4.527 -0.003 0.000 0.358 1011 F C -0.164 175.479 175.800 -0.262 0.000 1.118 1011 F CA -1.016 56.898 58.000 -0.144 0.000 1.037 1011 F CB 1.366 40.301 39.000 -0.108 0.000 1.276 1011 F HN -0.142 nan 8.300 nan 0.000 0.446 1012 A N 3.298 125.917 122.820 -0.336 0.000 2.362 1012 A HA 0.483 4.800 4.320 -0.004 0.000 0.276 1012 A C -0.909 176.616 177.584 -0.098 0.000 1.153 1012 A CA -0.279 51.412 52.037 -0.578 0.000 0.813 1012 A CB 0.087 18.017 19.000 -1.783 0.000 1.081 1012 A HN 0.620 nan 8.150 nan 0.000 0.507 1013 F N 2.601 122.467 119.950 -0.140 0.000 2.410 1013 F HA 0.499 5.024 4.527 -0.003 0.000 0.348 1013 F C -0.336 175.431 175.800 -0.055 0.000 1.106 1013 F CA -0.363 57.566 58.000 -0.118 0.000 1.163 1013 F CB 0.706 39.567 39.000 -0.231 0.000 1.129 1013 F HN 0.657 nan 8.300 nan 0.000 0.516 1014 W N 8.187 128.828 121.300 -1.099 0.000 2.600 1014 W HA 0.509 5.166 4.660 -0.004 0.000 0.325 1014 W C -1.959 173.946 176.519 -1.024 0.000 1.034 1014 W CA -1.047 55.710 57.345 -0.980 0.000 1.226 1014 W CB 0.983 29.850 29.460 -0.989 0.000 1.379 1014 W HN 0.374 nan 8.180 nan 0.000 0.466 1015 F N 5.390 124.716 119.950 -1.039 0.000 2.404 1015 F HA 0.412 4.936 4.527 -0.004 0.000 0.339 1015 F C 1.062 176.085 175.800 -1.295 0.000 1.105 1015 F CA -1.069 56.426 58.000 -0.843 0.000 1.087 1015 F CB 1.162 39.748 39.000 -0.691 0.000 1.143 1015 F HN 0.207 nan 8.300 nan 0.000 0.491 1016 R N 2.653 122.847 120.500 -0.510 0.000 2.522 1016 R HA 0.039 4.377 4.340 -0.004 0.000 0.284 1016 R C -0.083 176.025 176.300 -0.320 0.000 1.032 1016 R CA 0.981 56.785 56.100 -0.493 0.000 1.049 1016 R CB 0.047 30.338 30.300 -0.015 0.000 0.956 1016 R HN 0.940 nan 8.270 nan 0.000 0.422 1017 D N 1.453 121.659 120.400 -0.324 0.000 2.332 1017 D HA -0.298 4.340 4.640 -0.004 0.000 0.166 1017 D C 0.443 176.634 176.300 -0.182 0.000 1.574 1017 D CA 1.780 55.684 54.000 -0.160 0.000 1.598 1017 D CB -0.974 39.793 40.800 -0.056 0.000 1.354 1017 D HN 0.602 nan 8.370 nan 0.000 0.481 1018 A N 0.370 123.028 122.820 -0.270 0.000 2.252 1018 A HA 0.615 4.933 4.320 -0.004 0.000 0.213 1018 A C 1.734 179.090 177.584 -0.379 0.000 1.188 1018 A CA 1.643 53.544 52.037 -0.226 0.000 0.863 1018 A CB -0.124 18.762 19.000 -0.190 0.000 0.893 1018 A HN 1.033 nan 8.150 nan 0.000 0.495 1019 G N -0.228 108.086 108.800 -0.809 0.000 2.582 1019 G HA2 -0.345 3.613 3.960 -0.004 0.000 0.288 1019 G HA3 -0.345 3.613 3.960 -0.004 0.000 0.288 1019 G C 0.456 174.925 174.900 -0.718 0.000 1.247 1019 G CA 0.622 45.102 45.100 -1.034 0.000 0.972 1019 G HN 0.539 nan 8.290 nan 0.000 0.557 1020 F N 2.514 122.430 119.950 -0.056 0.000 2.797 1020 F HA 0.278 4.802 4.527 -0.004 0.000 0.302 1020 F C 2.700 178.500 175.800 0.002 0.000 1.130 1020 F CA 0.686 58.684 58.000 -0.003 0.000 1.387 1020 F CB 0.052 39.099 39.000 0.078 0.000 1.107 1020 F HN 0.569 nan 8.300 nan 0.000 0.577 1021 G N 0.323 109.190 108.800 0.112 0.000 2.532 1021 G HA2 -0.235 3.723 3.960 -0.004 0.000 0.222 1021 G HA3 -0.235 3.723 3.960 -0.004 0.000 0.222 1021 G C 1.675 176.649 174.900 0.124 0.000 1.102 1021 G CA 1.229 46.378 45.100 0.082 0.000 0.742 1021 G HN 0.281 nan 8.290 nan 0.000 0.577 1022 V N 0.519 120.512 119.914 0.132 0.000 2.427 1022 V HA -0.032 4.086 4.120 -0.004 0.000 0.248 1022 V C 1.406 177.640 176.094 0.232 0.000 1.051 1022 V CA 1.173 63.594 62.300 0.203 0.000 1.048 1022 V CB -0.423 31.515 31.823 0.193 0.000 0.666 1022 V HN 0.507 nan 8.190 nan 0.000 0.456 1023 E N 1.357 121.679 120.200 0.205 0.000 2.529 1023 E HA -0.116 4.231 4.350 -0.004 0.000 0.259 1023 E C 0.752 177.509 176.600 0.263 0.000 0.966 1023 E CA 0.809 57.333 56.400 0.207 0.000 0.937 1023 E CB -0.757 29.031 29.700 0.146 0.000 0.923 1023 E HN 0.421 nan 8.360 nan 0.000 0.468 1024 N N 2.446 121.353 118.700 0.344 0.000 2.741 1024 N HA -0.330 4.408 4.740 -0.004 0.000 0.251 1024 N C -0.725 174.856 175.510 0.118 0.000 1.112 1024 N CA 0.878 54.106 53.050 0.297 0.000 0.750 1024 N CB -0.557 38.131 38.487 0.336 0.000 1.119 1024 N HN 0.673 nan 8.380 nan 0.000 0.561 1025 Y N -1.215 119.076 120.300 -0.015 0.000 3.260 1025 Y HA 0.388 4.936 4.550 -0.004 0.000 0.202 1025 Y C 1.034 176.922 175.900 -0.020 0.000 0.962 1025 Y CA 1.989 60.056 58.100 -0.056 0.000 1.582 1025 Y CB 0.482 38.942 38.460 -0.001 0.000 1.478 1025 Y HN 0.222 nan 8.280 nan 0.000 0.384 1026 G N 0.713 109.540 108.800 0.045 0.000 2.447 1026 G HA2 0.069 4.026 3.960 -0.004 0.000 0.220 1026 G HA3 0.069 4.026 3.960 -0.004 0.000 0.220 1026 G C -1.879 173.086 174.900 0.109 0.000 1.261 1026 G CA -0.546 44.562 45.100 0.012 0.000 1.000 1026 G HN 0.630 nan 8.290 nan 0.000 0.515 1027 V N 1.165 121.130 119.914 0.085 0.000 2.531 1027 V HA 0.520 4.638 4.120 -0.004 0.000 0.301 1027 V C -0.807 175.325 176.094 0.063 0.000 1.034 1027 V CA -0.927 61.474 62.300 0.167 0.000 0.865 1027 V CB 1.780 33.736 31.823 0.221 0.000 0.995 1027 V HN 0.686 nan 8.190 nan 0.000 0.424 1028 D N 6.298 126.755 120.400 0.095 0.000 2.304 1028 D HA 0.334 4.972 4.640 -0.004 0.000 0.250 1028 D C -2.201 174.112 176.300 0.022 0.000 1.107 1028 D CA -0.972 53.054 54.000 0.043 0.000 0.885 1028 D CB 1.957 42.813 40.800 0.092 0.000 1.192 1028 D HN 0.326 nan 8.370 nan 0.000 0.436 1029 P HA 0.127 nan 4.420 nan 0.000 0.276 1029 P C 0.182 177.480 177.300 -0.004 0.000 1.252 1029 P CA -0.383 62.716 63.100 -0.002 0.000 0.802 1029 P CB 1.521 33.212 31.700 -0.015 0.000 1.035 1030 D N -0.291 120.113 120.400 0.007 0.000 2.144 1030 D HA -0.024 4.614 4.640 -0.004 0.000 0.200 1030 D C 0.343 176.642 176.300 -0.001 0.000 0.978 1030 D CA 1.533 55.539 54.000 0.010 0.000 0.833 1030 D CB 0.178 40.999 40.800 0.035 0.000 0.961 1030 D HN 0.099 nan 8.370 nan 0.000 0.470 1031 V N 1.346 121.249 119.914 -0.018 0.000 2.443 1031 V HA 0.120 4.238 4.120 -0.004 0.000 0.293 1031 V C -0.075 175.934 176.094 -0.142 0.000 1.021 1031 V CA -0.844 61.400 62.300 -0.093 0.000 0.848 1031 V CB 2.233 33.968 31.823 -0.146 0.000 0.998 1031 V HN -0.051 nan 8.190 nan 0.000 0.424 1032 E N 4.576 124.702 120.200 -0.123 0.000 2.223 1032 E HA 0.445 4.793 4.350 -0.004 0.000 0.282 1032 E C -1.352 175.159 176.600 -0.149 0.000 1.046 1032 E CA -0.440 55.898 56.400 -0.104 0.000 0.857 1032 E CB 0.837 30.501 29.700 -0.061 0.000 1.055 1032 E HN 0.570 nan 8.360 nan 0.000 0.409 1033 I N 5.285 125.777 120.570 -0.130 0.000 2.493 1033 I HA 0.122 4.290 4.170 -0.004 0.000 0.279 1033 I C -0.125 175.970 176.117 -0.037 0.000 1.045 1033 I CA -0.538 60.684 61.300 -0.130 0.000 1.106 1033 I CB 1.440 39.324 38.000 -0.194 0.000 1.216 1033 I HN 0.421 nan 8.210 nan 0.000 0.459 1034 E N 3.485 123.698 120.200 0.021 0.000 2.408 1034 E HA 0.038 4.386 4.350 -0.004 0.000 0.259 1034 E C -1.019 175.631 176.600 0.082 0.000 1.110 1034 E CA 0.000 56.465 56.400 0.109 0.000 0.929 1034 E CB 0.940 30.777 29.700 0.229 0.000 0.971 1034 E HN 0.345 nan 8.360 nan 0.000 0.438 1035 Y N 0.681 120.952 120.300 -0.048 0.000 2.863 1035 Y HA 0.385 4.933 4.550 -0.004 0.000 0.348 1035 Y C -0.223 175.514 175.900 -0.271 0.000 1.028 1035 Y CA -1.076 56.917 58.100 -0.178 0.000 1.213 1035 Y CB 0.193 38.563 38.460 -0.150 0.000 1.120 1035 Y HN 0.494 nan 8.280 nan 0.000 0.598 1036 A N 5.714 128.438 122.820 -0.160 0.000 2.346 1036 A HA 0.353 4.670 4.320 -0.004 0.000 0.252 1036 A C -1.581 175.650 177.584 -0.588 0.000 1.089 1036 A CA -1.106 50.530 52.037 -0.668 0.000 0.797 1036 A CB 0.229 18.760 19.000 -0.781 0.000 1.047 1036 A HN 0.554 nan 8.150 nan 0.000 0.494 1037 P HA -0.191 nan 4.420 nan 0.000 0.215 1037 P C 0.728 177.833 177.300 -0.325 0.000 1.153 1037 P CA 2.119 64.835 63.100 -0.640 0.000 0.853 1037 P CB -0.216 30.692 31.700 -1.319 0.000 0.788 1038 H N -2.314 116.725 119.070 -0.051 0.000 2.521 1038 H HA -0.020 4.534 4.556 -0.004 0.000 0.286 1038 H C 1.348 176.728 175.328 0.085 0.000 1.034 1038 H CA 1.033 57.161 56.048 0.133 0.000 1.278 1038 H CB -1.340 28.585 29.762 0.272 0.000 1.386 1038 H HN 0.118 nan 8.280 nan 0.000 0.567 1039 D N 0.564 120.940 120.400 -0.041 0.000 2.123 1039 D HA -0.133 4.505 4.640 -0.004 0.000 0.200 1039 D C 1.553 177.865 176.300 0.020 0.000 0.976 1039 D CA 1.102 55.089 54.000 -0.021 0.000 0.831 1039 D CB -0.332 40.353 40.800 -0.191 0.000 0.974 1039 D HN 0.462 nan 8.370 nan 0.000 0.469 1040 Y N 1.111 121.468 120.300 0.095 0.000 2.242 1040 Y HA -0.066 4.482 4.550 -0.004 0.000 0.291 1040 Y C 2.548 178.456 175.900 0.013 0.000 1.137 1040 Y CA 0.483 58.616 58.100 0.055 0.000 1.181 1040 Y CB -0.289 38.099 38.460 -0.121 0.000 0.989 1040 Y HN -0.082 nan 8.280 nan 0.000 0.527 1041 L N -0.498 120.821 121.223 0.160 0.000 2.046 1041 L HA -0.235 4.103 4.340 -0.004 0.000 0.208 1041 L C 2.386 179.323 176.870 0.112 0.000 1.077 1041 L CA 1.833 56.748 54.840 0.124 0.000 0.747 1041 L CB -0.607 41.545 42.059 0.155 0.000 0.896 1041 L HN 0.304 nan 8.230 nan 0.000 0.432 1042 S N -0.914 114.853 115.700 0.112 0.000 2.603 1042 S HA 0.082 4.549 4.470 -0.004 0.000 0.220 1042 S C 1.471 176.102 174.600 0.052 0.000 0.967 1042 S CA 0.368 58.617 58.200 0.082 0.000 0.920 1042 S CB 0.211 63.461 63.200 0.084 0.000 0.773 1042 S HN 0.558 nan 8.310 nan 0.000 0.529 1043 G N 1.146 109.981 108.800 0.058 0.000 2.160 1043 G HA2 -0.308 3.650 3.960 -0.004 0.000 0.251 1043 G HA3 -0.308 3.650 3.960 -0.004 0.000 0.251 1043 G C -0.158 174.731 174.900 -0.020 0.000 1.008 1043 G CA 0.541 45.662 45.100 0.034 0.000 0.724 1043 G HN 0.780 nan 8.290 nan 0.000 0.514 1044 K N 0.375 120.749 120.400 -0.043 0.000 2.182 1044 K HA 0.459 4.776 4.320 -0.004 0.000 0.262 1044 K C -1.214 175.233 176.600 -0.255 0.000 0.957 1044 K CA -0.855 55.362 56.287 -0.118 0.000 0.842 1044 K CB 0.952 33.403 32.500 -0.082 0.000 1.099 1044 K HN -0.012 nan 8.250 nan 0.000 0.438 1045 D N 6.306 126.527 120.400 -0.298 0.000 2.485 1045 D HA 0.147 4.785 4.640 -0.004 0.000 0.221 1045 D C -1.560 174.483 176.300 -0.428 0.000 1.112 1045 D CA -2.371 51.346 54.000 -0.471 0.000 0.911 1045 D CB 1.465 42.141 40.800 -0.206 0.000 1.019 1045 D HN 0.363 nan 8.370 nan 0.000 0.516 1046 P HA -0.173 nan 4.420 nan 0.000 0.220 1046 P C 1.090 178.298 177.300 -0.154 0.000 1.148 1046 P CA 1.040 63.962 63.100 -0.297 0.000 0.803 1046 P CB 0.666 32.172 31.700 -0.324 0.000 0.782 1047 Q N -0.471 119.201 119.800 -0.213 0.000 2.049 1047 Q HA -0.042 4.296 4.340 -0.004 0.000 0.198 1047 Q C 2.451 178.496 176.000 0.075 0.000 0.971 1047 Q CA 0.899 56.689 55.803 -0.022 0.000 0.833 1047 Q CB -0.470 28.280 28.738 0.019 0.000 0.896 1047 Q HN 0.227 nan 8.270 nan 0.000 0.434 1048 I N 0.824 121.424 120.570 0.050 0.000 2.315 1048 I HA -0.257 3.911 4.170 -0.004 0.000 0.248 1048 I C 1.225 177.408 176.117 0.110 0.000 1.117 1048 I CA 1.058 62.416 61.300 0.096 0.000 1.404 1048 I CB 0.088 38.119 38.000 0.051 0.000 1.071 1048 I HN 0.165 nan 8.210 nan 0.000 0.419 1049 D N -0.056 120.402 120.400 0.096 0.000 2.097 1049 D HA -0.260 4.378 4.640 -0.004 0.000 0.195 1049 D C 1.854 178.196 176.300 0.071 0.000 0.989 1049 D CA 1.426 55.485 54.000 0.099 0.000 0.827 1049 D CB -0.401 40.445 40.800 0.077 0.000 0.966 1049 D HN 0.418 nan 8.370 nan 0.000 0.456 1050 Y N 1.483 121.781 120.300 -0.003 0.000 2.181 1050 Y HA -0.195 4.353 4.550 -0.004 0.000 0.288 1050 Y C 2.253 178.163 175.900 0.017 0.000 1.146 1050 Y CA 1.820 59.921 58.100 0.002 0.000 1.164 1050 Y CB -0.329 38.128 38.460 -0.005 0.000 0.982 1050 Y HN -0.048 nan 8.280 nan 0.000 0.515 1051 A N 0.304 123.205 122.820 0.134 0.000 1.908 1051 A HA -0.190 4.128 4.320 -0.004 0.000 0.218 1051 A C 2.287 179.862 177.584 -0.014 0.000 1.181 1051 A CA 2.037 54.122 52.037 0.081 0.000 0.627 1051 A CB -1.116 17.967 19.000 0.138 0.000 0.818 1051 A HN 0.579 nan 8.150 nan 0.000 0.445 1052 I N -0.161 120.401 120.570 -0.013 0.000 2.179 1052 I HA -0.232 3.936 4.170 -0.004 0.000 0.242 1052 I C 1.876 177.936 176.117 -0.095 0.000 1.088 1052 I CA 1.557 62.830 61.300 -0.045 0.000 1.357 1052 I CB -0.471 37.493 38.000 -0.060 0.000 1.051 1052 I HN 0.248 nan 8.210 nan 0.000 0.409 1053 D N 1.079 121.394 120.400 -0.142 0.000 2.144 1053 D HA -0.143 4.495 4.640 -0.004 0.000 0.199 1053 D C 2.231 178.393 176.300 -0.230 0.000 0.984 1053 D CA 1.511 55.404 54.000 -0.178 0.000 0.834 1053 D CB -0.209 40.474 40.800 -0.194 0.000 0.955 1053 D HN 0.353 nan 8.370 nan 0.000 0.465 1054 A N 0.681 123.291 122.820 -0.351 0.000 1.902 1054 A HA -0.109 4.209 4.320 -0.004 0.000 0.217 1054 A C 2.377 179.886 177.584 -0.124 0.000 1.181 1054 A CA 0.850 52.702 52.037 -0.308 0.000 0.623 1054 A CB -0.733 18.049 19.000 -0.363 0.000 0.818 1054 A HN 0.196 nan 8.150 nan 0.000 0.443 1055 L N -0.593 120.584 121.223 -0.078 0.000 2.056 1055 L HA -0.130 4.208 4.340 -0.004 0.000 0.207 1055 L C 2.461 179.317 176.870 -0.025 0.000 1.078 1055 L CA 1.023 55.850 54.840 -0.021 0.000 0.749 1055 L CB -0.422 41.644 42.059 0.011 0.000 0.901 1055 L HN 0.391 nan 8.230 nan 0.000 0.433 1056 I N -0.129 120.414 120.570 -0.045 0.000 2.208 1056 I HA -0.316 3.852 4.170 -0.004 0.000 0.245 1056 I C 2.571 178.667 176.117 -0.035 0.000 1.097 1056 I CA 1.302 62.580 61.300 -0.037 0.000 1.363 1056 I CB -0.187 37.782 38.000 -0.053 0.000 1.051 1056 I HN 0.307 nan 8.210 nan 0.000 0.413 1057 E N 1.567 121.736 120.200 -0.052 0.000 2.028 1057 E HA -0.234 4.113 4.350 -0.004 0.000 0.191 1057 E C 1.973 178.560 176.600 -0.022 0.000 0.988 1057 E CA 1.646 58.021 56.400 -0.041 0.000 0.799 1057 E CB -0.153 29.512 29.700 -0.059 0.000 0.755 1057 E HN 0.402 nan 8.360 nan 0.000 0.447 1058 E N -0.488 119.701 120.200 -0.019 0.000 2.118 1058 E HA -0.178 4.170 4.350 -0.004 0.000 0.195 1058 E C 1.633 178.236 176.600 0.006 0.000 0.992 1058 E CA 0.908 57.307 56.400 -0.001 0.000 0.804 1058 E CB -0.108 29.598 29.700 0.009 0.000 0.741 1058 E HN 0.207 nan 8.360 nan 0.000 0.458 1059 L N 0.628 121.854 121.223 0.005 0.000 2.610 1059 L HA -0.038 4.299 4.340 -0.004 0.000 0.232 1059 L C 1.900 178.773 176.870 0.006 0.000 1.149 1059 L CA 0.992 55.839 54.840 0.012 0.000 0.872 1059 L CB -0.309 41.760 42.059 0.017 0.000 0.992 1059 L HN -0.007 nan 8.230 nan 0.000 0.447 1060 R N -0.815 119.684 120.500 -0.001 0.000 2.090 1060 R HA 0.015 4.353 4.340 -0.004 0.000 0.228 1060 R C 0.303 176.604 176.300 0.001 0.000 1.110 1060 R CA 0.715 56.813 56.100 -0.002 0.000 0.973 1060 R CB 0.079 30.375 30.300 -0.006 0.000 0.869 1060 R HN 0.395 nan 8.270 nan 0.000 0.440 1061 N N 0.000 118.702 118.700 0.004 0.000 1.763 1061 N HA 0.000 4.738 4.740 -0.004 0.000 0.220 1061 N CA 0.000 53.053 53.050 0.006 0.000 0.885 1061 N CB 0.000 38.489 38.487 0.004 0.000 1.341 1061 N HN 0.000 nan 8.380 nan 0.000 0.667