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_B 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 0.000 176.260 176.300 -0.067 0.000 1.140 39 M CA 0.000 55.263 55.300 -0.061 0.000 0.988 39 M CB 0.000 32.565 32.600 -0.058 0.000 1.302 40 P HA 0.272 nan 4.420 nan 0.000 0.274 40 P C -1.142 176.096 177.300 -0.103 0.000 1.231 40 P CA 0.048 63.087 63.100 -0.101 0.000 0.790 40 P CB 0.731 32.364 31.700 -0.111 0.000 0.951 41 N N 0.238 118.859 118.700 -0.131 0.000 2.476 41 N HA 0.373 5.313 4.740 0.334 0.000 0.275 41 N C -0.581 174.848 175.510 -0.134 0.000 1.190 41 N CA -0.634 52.344 53.050 -0.120 0.000 0.977 41 N CB 0.329 38.722 38.487 -0.157 0.000 1.200 41 N HN 0.331 nan 8.380 nan 0.000 0.515 42 L N 2.042 123.209 121.223 -0.093 0.000 2.283 42 L HA 0.357 4.897 4.340 0.334 0.000 0.287 42 L C -1.268 175.543 176.870 -0.097 0.000 1.073 42 L CA -0.008 54.772 54.840 -0.101 0.000 0.822 42 L CB -0.156 41.865 42.059 -0.063 0.000 1.186 42 L HN 0.359 nan 8.230 nan 0.000 0.436 43 L N 6.437 127.564 121.223 -0.161 0.000 2.312 43 L HA 0.552 5.092 4.340 0.334 0.000 0.281 43 L C -0.523 176.297 176.870 -0.083 0.000 1.070 43 L CA -0.513 54.223 54.840 -0.173 0.000 0.805 43 L CB 1.176 42.967 42.059 -0.447 0.000 1.174 43 L HN 0.568 nan 8.230 nan 0.000 0.434 44 L N 1.512 122.755 121.223 0.032 0.000 2.403 44 L HA 0.396 4.937 4.340 0.334 0.000 0.253 44 L C -0.238 176.668 176.870 0.060 0.000 1.045 44 L CA -0.971 53.895 54.840 0.043 0.000 0.845 44 L CB 1.623 43.715 42.059 0.056 0.000 1.447 44 L HN 0.547 nan 8.230 nan 0.000 0.411 45 N N 1.131 119.788 118.700 -0.071 0.000 2.717 45 N HA -0.162 4.779 4.740 0.334 0.000 0.298 45 N C -2.570 172.949 175.510 0.015 0.000 1.128 45 N CA -0.177 52.619 53.050 -0.425 0.000 0.778 45 N CB -0.876 37.152 38.487 -0.765 0.000 0.972 45 N HN 0.345 nan 8.380 nan 0.000 0.573 46 P HA 0.406 nan 4.420 nan 0.000 0.285 46 P C -0.870 176.695 177.300 0.441 0.000 1.285 46 P CA -0.137 63.182 63.100 0.364 0.000 0.854 46 P CB 1.899 33.776 31.700 0.296 0.000 1.180 47 D N -0.273 120.366 120.400 0.398 0.000 2.581 47 D HA 0.608 5.448 4.640 0.334 0.000 0.232 47 D C -1.394 175.218 176.300 0.521 0.000 1.143 47 D CA -0.676 53.583 54.000 0.431 0.000 0.881 47 D CB 1.798 42.830 40.800 0.386 0.000 1.500 47 D HN 0.291 nan 8.370 nan 0.000 0.458 48 I N 1.281 122.154 120.570 0.505 0.000 2.686 48 I HA 0.481 4.852 4.170 0.334 0.000 0.295 48 I C -1.924 174.310 176.117 0.195 0.000 1.114 48 I CA -0.729 60.804 61.300 0.390 0.000 1.038 48 I CB 1.988 40.130 38.000 0.236 0.000 1.238 48 I HN 0.472 nan 8.210 nan 0.000 0.420 49 H N 5.502 124.452 119.070 -0.200 0.000 3.240 49 H HA 0.545 5.301 4.556 0.334 0.000 0.326 49 H C 0.198 175.374 175.328 -0.253 0.000 1.015 49 H CA 0.584 56.370 56.048 -0.436 0.000 1.504 49 H CB 1.166 30.233 29.762 -1.157 0.000 1.754 49 H HN 0.953 nan 8.280 nan 0.000 0.505 50 G N 4.032 112.595 108.800 -0.395 0.000 2.602 50 G HA2 -0.384 3.777 3.960 0.334 0.000 0.310 50 G HA3 -0.384 3.777 3.960 0.334 0.000 0.310 50 G C 0.627 175.477 174.900 -0.084 0.000 1.183 50 G CA 0.675 45.633 45.100 -0.236 0.000 0.979 50 G HN 0.627 nan 8.290 nan 0.000 0.545 51 D N 2.119 122.495 120.400 -0.040 0.000 2.340 51 D HA 0.163 5.003 4.640 0.334 0.000 0.217 51 D C 1.102 177.440 176.300 0.062 0.000 1.081 51 D CA 0.297 54.305 54.000 0.013 0.000 0.842 51 D CB 0.183 40.986 40.800 0.004 0.000 0.934 51 D HN 0.354 nan 8.370 nan 0.000 0.511 52 R N 0.647 121.194 120.500 0.079 0.000 2.393 52 R HA 0.615 5.155 4.340 0.334 0.000 0.310 52 R C -0.188 176.305 176.300 0.322 0.000 0.968 52 R CA -0.516 55.696 56.100 0.187 0.000 0.867 52 R CB 2.254 32.671 30.300 0.195 0.000 1.124 52 R HN -0.086 nan 8.270 nan 0.000 0.450 53 I N 4.856 125.673 120.570 0.412 0.000 2.498 53 I HA 0.412 4.782 4.170 0.334 0.000 0.290 53 I C 0.087 176.506 176.117 0.504 0.000 1.032 53 I CA -0.949 60.643 61.300 0.486 0.000 1.073 53 I CB 1.961 40.215 38.000 0.422 0.000 1.251 53 I HN 0.525 nan 8.210 nan 0.000 0.426 54 I N 3.862 124.691 120.570 0.432 0.000 2.562 54 I HA 0.802 5.172 4.170 0.334 0.000 0.301 54 I C -1.094 175.192 176.117 0.283 0.000 1.003 54 I CA -0.520 60.884 61.300 0.172 0.000 1.127 54 I CB 1.948 39.874 38.000 -0.123 0.000 1.304 54 I HN 0.544 nan 8.210 nan 0.000 0.446 55 F N 2.240 122.280 119.950 0.150 0.000 2.773 55 F HA 0.765 5.492 4.527 0.334 0.000 0.314 55 F C -1.799 174.095 175.800 0.156 0.000 1.160 55 F CA -1.188 56.882 58.000 0.118 0.000 0.920 55 F CB 0.823 39.862 39.000 0.065 0.000 1.323 55 F HN 0.239 nan 8.300 nan 0.000 0.457 56 V N 1.409 121.533 119.914 0.351 0.000 2.472 56 V HA 0.615 4.935 4.120 0.334 0.000 0.290 56 V C -0.732 175.569 176.094 0.346 0.000 1.037 56 V CA -0.556 61.917 62.300 0.288 0.000 0.908 56 V CB 1.320 33.271 31.823 0.213 0.000 0.985 56 V HN 1.053 nan 8.190 nan 0.000 0.454 57 C N 4.889 124.382 119.300 0.321 0.000 2.716 57 C HA 0.501 5.162 4.460 0.334 0.000 0.366 57 C C 0.567 175.733 174.990 0.293 0.000 1.073 57 C CA -0.541 58.575 59.018 0.164 0.000 1.260 57 C CB -0.365 27.216 27.740 -0.264 0.000 1.755 57 C HN 1.162 nan 8.230 nan 0.000 0.475 58 C N 5.791 125.222 119.300 0.218 0.000 4.350 58 C HA -0.097 4.564 4.460 0.334 0.000 0.302 58 C C 0.678 175.809 174.990 0.234 0.000 1.390 58 C CA 1.478 60.634 59.018 0.230 0.000 2.016 58 C CB -2.683 25.200 27.740 0.239 0.000 1.271 58 C HN 1.145 nan 8.230 nan 0.000 0.760 59 D N -1.928 118.615 120.400 0.239 0.000 2.978 59 D HA -0.136 4.705 4.640 0.334 0.000 0.205 59 D C -0.089 176.274 176.300 0.104 0.000 1.093 59 D CA 2.181 56.277 54.000 0.160 0.000 1.006 59 D CB -0.668 40.202 40.800 0.118 0.000 1.116 59 D HN 0.719 nan 8.370 nan 0.000 0.419 60 D N -0.263 120.236 120.400 0.165 0.000 2.384 60 D HA 0.487 5.328 4.640 0.334 0.000 0.250 60 D C 0.417 176.768 176.300 0.085 0.000 1.029 60 D CA -0.552 53.481 54.000 0.057 0.000 0.990 60 D CB 1.155 41.944 40.800 -0.019 0.000 1.175 60 D HN -0.035 nan 8.370 nan 0.000 0.532 61 L N 1.108 122.253 121.223 -0.129 0.000 2.289 61 L HA 0.367 4.907 4.340 0.334 0.000 0.285 61 L C -1.204 175.463 176.870 -0.339 0.000 1.049 61 L CA -0.516 54.237 54.840 -0.146 0.000 0.804 61 L CB 0.709 42.640 42.059 -0.213 0.000 1.195 61 L HN 0.328 nan 8.230 nan 0.000 0.428 62 W N 3.062 124.058 121.300 -0.508 0.000 2.799 62 W HA 0.528 5.388 4.660 0.334 0.000 0.349 62 W C -0.386 175.758 176.519 -0.624 0.000 1.100 62 W CA -0.475 56.490 57.345 -0.634 0.000 1.174 62 W CB 1.267 30.145 29.460 -0.970 0.000 1.427 62 W HN 0.327 nan 8.180 nan 0.000 0.547 63 E N 1.451 121.603 120.200 -0.081 0.000 2.256 63 E HA 0.196 4.747 4.350 0.334 0.000 0.268 63 E C -1.535 175.219 176.600 0.256 0.000 0.877 63 E CA -0.600 55.843 56.400 0.071 0.000 0.757 63 E CB 1.473 31.228 29.700 0.092 0.000 1.183 63 E HN 0.523 nan 8.360 nan 0.000 0.418 64 H N 3.433 122.665 119.070 0.270 0.000 2.609 64 H HA 0.236 4.992 4.556 0.334 0.000 0.344 64 H C -1.644 173.813 175.328 0.215 0.000 1.040 64 H CA -0.680 55.543 56.048 0.290 0.000 1.216 64 H CB 1.806 31.821 29.762 0.421 0.000 1.529 64 H HN 0.565 nan 8.280 nan 0.000 0.519 65 D N 4.762 124.960 120.400 -0.338 0.000 2.317 65 D HA 0.126 4.966 4.640 0.334 0.000 0.234 65 D C 1.080 177.177 176.300 -0.338 0.000 1.112 65 D CA -0.452 53.425 54.000 -0.205 0.000 0.840 65 D CB 0.912 41.650 40.800 -0.103 0.000 1.078 65 D HN 0.568 nan 8.370 nan 0.000 0.486 66 L N 3.385 124.559 121.223 -0.082 0.000 2.191 66 L HA -0.088 4.452 4.340 0.334 0.000 0.212 66 L C 2.309 179.175 176.870 -0.008 0.000 1.103 66 L CA 0.852 55.706 54.840 0.022 0.000 0.769 66 L CB -0.248 41.862 42.059 0.086 0.000 0.908 66 L HN 0.487 nan 8.230 nan 0.000 0.438 67 K N 0.263 120.647 120.400 -0.026 0.000 2.007 67 K HA -0.141 4.379 4.320 0.334 0.000 0.206 67 K C 2.317 178.903 176.600 -0.023 0.000 1.047 67 K CA 1.651 57.929 56.287 -0.016 0.000 0.937 67 K CB 0.031 32.524 32.500 -0.011 0.000 0.718 67 K HN 0.294 nan 8.250 nan 0.000 0.438 68 S N -1.309 114.364 115.700 -0.044 0.000 2.478 68 S HA 0.131 4.802 4.470 0.334 0.000 0.222 68 S C 1.434 176.008 174.600 -0.043 0.000 1.008 68 S CA 0.579 58.758 58.200 -0.035 0.000 0.928 68 S CB 0.358 63.541 63.200 -0.030 0.000 0.781 68 S HN 0.594 nan 8.310 nan 0.000 0.518 69 G N 1.510 110.246 108.800 -0.108 0.000 2.179 69 G HA2 -0.296 3.864 3.960 0.334 0.000 0.260 69 G HA3 -0.296 3.864 3.960 0.334 0.000 0.260 69 G C 0.208 175.074 174.900 -0.056 0.000 0.977 69 G CA 0.359 45.422 45.100 -0.061 0.000 0.641 69 G HN 1.434 nan 8.290 nan 0.000 0.533 70 S N -0.146 115.492 115.700 -0.104 0.000 2.584 70 S HA 0.697 5.367 4.470 0.334 0.000 0.273 70 S C 0.009 174.642 174.600 0.055 0.000 1.311 70 S CA 0.604 58.808 58.200 0.007 0.000 1.034 70 S CB 2.034 65.244 63.200 0.017 0.000 0.939 70 S HN 0.630 nan 8.310 nan 0.000 0.513 71 T N 2.871 117.560 114.554 0.226 0.000 2.841 71 T HA 0.671 5.221 4.350 0.334 0.000 0.283 71 T C -0.425 174.479 174.700 0.341 0.000 1.000 71 T CA -0.766 61.560 62.100 0.377 0.000 0.977 71 T CB 1.284 70.440 68.868 0.481 0.000 0.979 71 T HN 0.828 nan 8.240 nan 0.000 0.446 72 R N 1.604 122.302 120.500 0.329 0.000 2.668 72 R HA 0.476 5.016 4.340 0.334 0.000 0.272 72 R C -1.464 174.764 176.300 -0.119 0.000 1.019 72 R CA -0.908 55.274 56.100 0.138 0.000 0.894 72 R CB 1.638 31.963 30.300 0.041 0.000 1.228 72 R HN 0.543 nan 8.270 nan 0.000 0.460 73 K N 5.346 125.375 120.400 -0.619 0.000 2.267 73 K HA 0.206 4.727 4.320 0.334 0.000 0.282 73 K C 0.991 177.213 176.600 -0.628 0.000 1.078 73 K CA -0.388 55.200 56.287 -1.165 0.000 0.903 73 K CB 0.587 32.130 32.500 -1.595 0.000 1.111 73 K HN 0.683 nan 8.250 nan 0.000 0.475 74 I N 1.621 121.853 120.570 -0.564 0.000 3.228 74 I HA 0.127 4.497 4.170 0.334 0.000 0.279 74 I C 0.118 175.833 176.117 -0.670 0.000 1.221 74 I CA -0.267 60.715 61.300 -0.529 0.000 1.458 74 I CB 0.711 38.390 38.000 -0.534 0.000 1.105 74 I HN 0.231 nan 8.210 nan 0.000 0.445 75 V N 1.742 121.306 119.914 -0.584 0.000 2.711 75 V HA 0.710 5.031 4.120 0.334 0.000 0.304 75 V C -0.778 175.113 176.094 -0.338 0.000 1.097 75 V CA 0.262 62.294 62.300 -0.448 0.000 0.906 75 V CB 1.988 33.540 31.823 -0.451 0.000 1.015 75 V HN 0.504 nan 8.190 nan 0.000 0.427 76 S N 3.892 119.440 115.700 -0.253 0.000 2.651 76 S HA 0.620 5.291 4.470 0.334 0.000 0.279 76 S C 0.014 174.530 174.600 -0.140 0.000 1.148 76 S CA -0.011 58.074 58.200 -0.192 0.000 0.837 76 S CB 1.539 64.622 63.200 -0.196 0.000 1.138 76 S HN 2.162 nan 8.310 nan 0.000 0.478 77 N N -0.617 118.021 118.700 -0.102 0.000 2.725 77 N HA -0.136 4.804 4.740 0.334 0.000 0.249 77 N C -0.045 175.401 175.510 -0.107 0.000 1.103 77 N CA 1.124 54.124 53.050 -0.084 0.000 0.707 77 N CB -1.735 36.711 38.487 -0.069 0.000 1.043 77 N HN 0.684 nan 8.380 nan 0.000 0.553 78 L N -1.928 119.211 121.223 -0.141 0.000 2.556 78 L HA 0.418 4.959 4.340 0.334 0.000 0.226 78 L C 1.552 178.331 176.870 -0.152 0.000 1.089 78 L CA 0.593 55.314 54.840 -0.198 0.000 0.864 78 L CB -0.053 41.811 42.059 -0.325 0.000 1.067 78 L HN 0.535 nan 8.230 nan 0.000 0.477 79 G N -0.324 108.410 108.800 -0.111 0.000 2.280 79 G HA2 -0.108 4.053 3.960 0.334 0.000 0.277 79 G HA3 -0.108 4.053 3.960 0.334 0.000 0.277 79 G C -1.156 173.701 174.900 -0.072 0.000 1.288 79 G CA -0.661 44.385 45.100 -0.090 0.000 1.075 79 G HN -0.275 nan 8.290 nan 0.000 0.480 80 V N 1.297 121.160 119.914 -0.085 0.000 2.364 80 V HA 0.495 4.815 4.120 0.334 0.000 0.272 80 V C 0.688 176.679 176.094 -0.172 0.000 1.036 80 V CA -0.263 61.945 62.300 -0.153 0.000 0.880 80 V CB 0.864 32.514 31.823 -0.287 0.000 0.991 80 V HN 0.557 nan 8.190 nan 0.000 0.460 81 I N 5.082 125.582 120.570 -0.116 0.000 2.365 81 I HA 0.280 4.651 4.170 0.334 0.000 0.291 81 I C 0.961 177.049 176.117 -0.050 0.000 1.004 81 I CA -0.011 61.254 61.300 -0.059 0.000 1.311 81 I CB 1.146 39.135 38.000 -0.019 0.000 1.401 81 I HN 0.859 nan 8.210 nan 0.000 0.491 82 N N 3.142 121.838 118.700 -0.006 0.000 2.166 82 N HA 0.120 5.060 4.740 0.334 0.000 0.213 82 N C -0.130 175.463 175.510 0.137 0.000 1.222 82 N CA -0.360 52.743 53.050 0.089 0.000 0.900 82 N CB 0.496 39.040 38.487 0.095 0.000 1.055 82 N HN 0.524 nan 8.380 nan 0.000 0.515 83 N N -0.126 118.661 118.700 0.144 0.000 2.367 83 N HA 0.657 5.597 4.740 0.334 0.000 0.278 83 N C -2.217 173.406 175.510 0.188 0.000 1.117 83 N CA -0.453 52.732 53.050 0.226 0.000 0.867 83 N CB 2.312 40.971 38.487 0.286 0.000 1.649 83 N HN 0.295 nan 8.380 nan 0.000 0.479 84 A N 2.302 125.252 122.820 0.216 0.000 2.456 84 A HA 0.701 5.221 4.320 0.334 0.000 0.288 84 A C -1.368 176.313 177.584 0.162 0.000 1.042 84 A CA -0.701 51.424 52.037 0.146 0.000 0.738 84 A CB 1.123 20.154 19.000 0.051 0.000 1.266 84 A HN 0.456 nan 8.150 nan 0.000 0.407 85 R N 1.621 122.232 120.500 0.185 0.000 2.480 85 R HA 0.461 5.001 4.340 0.334 0.000 0.306 85 R C -1.312 175.123 176.300 0.224 0.000 0.958 85 R CA -0.489 55.766 56.100 0.258 0.000 0.861 85 R CB 1.153 31.687 30.300 0.390 0.000 1.171 85 R HN 0.665 nan 8.270 nan 0.000 0.445 86 F N 2.192 122.240 119.950 0.163 0.000 2.471 86 F HA 0.159 4.887 4.527 0.334 0.000 0.353 86 F C 0.998 176.645 175.800 -0.256 0.000 1.113 86 F CA 0.147 58.170 58.000 0.038 0.000 1.262 86 F CB 0.444 39.447 39.000 0.006 0.000 1.146 86 F HN 0.330 nan 8.300 nan 0.000 0.578 87 F N 4.682 124.491 119.950 -0.234 0.000 2.403 87 F HA 0.151 4.878 4.527 0.334 0.000 0.320 87 F C -0.865 174.602 175.800 -0.555 0.000 1.176 87 F CA -1.646 55.926 58.000 -0.713 0.000 1.206 87 F CB -0.005 38.767 39.000 -0.379 0.000 1.235 87 F HN 0.320 nan 8.300 nan 0.000 0.565 88 P HA -0.231 nan 4.420 nan 0.000 0.217 88 P C 0.451 177.720 177.300 -0.050 0.000 1.151 88 P CA 1.966 64.966 63.100 -0.166 0.000 0.849 88 P CB -0.142 31.498 31.700 -0.100 0.000 0.787 89 D N -1.811 118.538 120.400 -0.085 0.000 2.340 89 D HA 0.118 4.958 4.640 0.334 0.000 0.220 89 D C 1.448 177.545 176.300 -0.339 0.000 1.039 89 D CA 0.421 54.365 54.000 -0.093 0.000 0.866 89 D CB -1.143 39.621 40.800 -0.061 0.000 0.913 89 D HN 0.272 nan 8.370 nan 0.000 0.523 90 G N 0.683 109.078 108.800 -0.675 0.000 2.166 90 G HA2 -0.393 3.768 3.960 0.334 0.000 0.260 90 G HA3 -0.393 3.768 3.960 0.334 0.000 0.260 90 G C 1.230 175.960 174.900 -0.284 0.000 0.986 90 G CA 0.608 45.085 45.100 -1.038 0.000 0.683 90 G HN 0.358 nan 8.290 nan 0.000 0.527 91 R N -0.031 120.378 120.500 -0.152 0.000 2.048 91 R HA 0.171 4.712 4.340 0.334 0.000 0.221 91 R C 1.462 177.723 176.300 -0.065 0.000 1.174 91 R CA 0.892 56.935 56.100 -0.096 0.000 0.971 91 R CB -0.188 30.029 30.300 -0.139 0.000 0.863 91 R HN 0.454 nan 8.270 nan 0.000 0.439 92 K N 0.958 121.268 120.400 -0.150 0.000 2.090 92 K HA 0.408 4.928 4.320 0.334 0.000 0.249 92 K C -0.605 176.070 176.600 0.125 0.000 0.995 92 K CA -0.297 55.868 56.287 -0.203 0.000 0.914 92 K CB 0.896 32.961 32.500 -0.725 0.000 1.057 92 K HN -0.033 nan 8.250 nan 0.000 0.462 93 I N 2.096 122.766 120.570 0.167 0.000 2.466 93 I HA 0.285 4.655 4.170 0.334 0.000 0.289 93 I C -0.610 175.728 176.117 0.369 0.000 1.026 93 I CA -0.940 60.517 61.300 0.262 0.000 1.078 93 I CB 2.023 40.102 38.000 0.132 0.000 1.249 93 I HN 0.619 nan 8.210 nan 0.000 0.429 94 A N 7.824 130.901 122.820 0.429 0.000 2.301 94 A HA 0.835 5.355 4.320 0.334 0.000 0.298 94 A C -0.574 177.219 177.584 0.350 0.000 1.185 94 A CA -0.245 52.096 52.037 0.506 0.000 0.830 94 A CB 0.351 19.606 19.000 0.426 0.000 1.112 94 A HN 0.666 nan 8.150 nan 0.000 0.508 95 I N 1.622 122.408 120.570 0.359 0.000 2.545 95 I HA 0.462 4.832 4.170 0.334 0.000 0.292 95 I C 0.228 176.471 176.117 0.209 0.000 1.040 95 I CA -0.558 60.884 61.300 0.237 0.000 1.068 95 I CB 2.142 40.254 38.000 0.187 0.000 1.251 95 I HN 0.753 nan 8.210 nan 0.000 0.424 96 R N 5.222 125.812 120.500 0.150 0.000 2.295 96 R HA 0.721 5.261 4.340 0.334 0.000 0.324 96 R C -1.718 174.634 176.300 0.086 0.000 0.968 96 R CA -0.413 55.754 56.100 0.113 0.000 0.837 96 R CB 1.758 32.119 30.300 0.102 0.000 1.133 96 R HN 0.528 nan 8.270 nan 0.000 0.450 97 V N 6.148 126.126 119.914 0.107 0.000 2.735 97 V HA 0.510 4.830 4.120 0.334 0.000 0.310 97 V C -0.790 175.430 176.094 0.211 0.000 1.061 97 V CA -0.834 61.534 62.300 0.114 0.000 0.913 97 V CB 2.134 34.021 31.823 0.107 0.000 1.005 97 V HN 0.873 nan 8.190 nan 0.000 0.428 98 M N 6.184 125.843 119.600 0.099 0.000 2.472 98 M HA 0.676 5.356 4.480 0.334 0.000 0.331 98 M C -0.237 176.094 176.300 0.051 0.000 1.170 98 M CA -0.450 54.911 55.300 0.101 0.000 1.009 98 M CB 2.083 34.641 32.600 -0.071 0.000 1.672 98 M HN 0.597 nan 8.290 nan 0.000 0.453 99 R N 0.047 120.561 120.500 0.024 0.000 2.831 99 R HA 0.827 5.367 4.340 0.334 0.000 0.266 99 R C -0.930 175.319 176.300 -0.086 0.000 1.051 99 R CA -0.803 55.203 56.100 -0.156 0.000 0.943 99 R CB 2.379 32.344 30.300 -0.558 0.000 1.228 99 R HN 0.948 nan 8.270 nan 0.000 0.467 100 G N 0.161 108.908 108.800 -0.090 0.000 2.907 100 G HA2 -0.236 3.924 3.960 0.334 0.000 0.686 100 G HA3 -0.236 3.924 3.960 0.334 0.000 0.686 100 G C 0.531 175.435 174.900 0.008 0.000 1.115 100 G CA -0.141 44.937 45.100 -0.038 0.000 0.760 100 G HN 0.692 nan 8.290 nan 0.000 0.620 101 S N 0.392 116.115 115.700 0.038 0.000 2.389 101 S HA -0.151 4.519 4.470 0.334 0.000 0.231 101 S C 2.015 176.733 174.600 0.196 0.000 1.052 101 S CA 2.298 60.566 58.200 0.112 0.000 1.053 101 S CB -0.136 63.121 63.200 0.094 0.000 0.886 101 S HN 1.426 nan 8.310 nan 0.000 0.456 102 S N 1.280 117.043 115.700 0.104 0.000 2.614 102 S HA 0.471 5.141 4.470 0.334 0.000 0.230 102 S C 0.305 174.807 174.600 -0.163 0.000 0.952 102 S CA -0.199 58.033 58.200 0.054 0.000 0.949 102 S CB -0.561 62.663 63.200 0.040 0.000 0.786 102 S HN 0.535 nan 8.310 nan 0.000 0.478 103 L N 1.534 122.684 121.223 -0.121 0.000 3.678 103 L HA -0.303 4.237 4.340 0.334 0.000 0.425 103 L C 1.003 177.791 176.870 -0.137 0.000 1.240 103 L CA 0.619 55.359 54.840 -0.166 0.000 0.876 103 L CB -2.217 39.645 42.059 -0.329 0.000 1.766 103 L HN 0.597 nan 8.230 nan 0.000 0.917 104 N N -1.193 117.457 118.700 -0.083 0.000 2.467 104 N HA -0.001 4.940 4.740 0.334 0.000 0.184 104 N C 0.609 176.101 175.510 -0.030 0.000 1.106 104 N CA 0.561 53.567 53.050 -0.073 0.000 0.892 104 N CB 0.244 38.698 38.487 -0.055 0.000 0.969 104 N HN 0.563 nan 8.380 nan 0.000 0.454 105 T N -2.942 111.627 114.554 0.025 0.000 2.924 105 T HA 0.837 5.387 4.350 0.334 0.000 0.291 105 T C -0.789 174.029 174.700 0.198 0.000 1.045 105 T CA -0.853 61.314 62.100 0.112 0.000 1.015 105 T CB 2.229 71.212 68.868 0.190 0.000 1.103 105 T HN 0.186 nan 8.240 nan 0.000 0.496 106 A N 1.145 124.059 122.820 0.156 0.000 2.594 106 A HA 0.799 5.319 4.320 0.334 0.000 0.295 106 A C -1.770 175.636 177.584 -0.297 0.000 1.071 106 A CA -0.729 51.337 52.037 0.049 0.000 0.685 106 A CB 1.737 20.744 19.000 0.012 0.000 1.285 106 A HN 0.839 nan 8.150 nan 0.000 0.405 107 D N -0.275 119.785 120.400 -0.567 0.000 2.622 107 D HA 0.543 5.384 4.640 0.334 0.000 0.255 107 D C -1.200 174.879 176.300 -0.368 0.000 1.246 107 D CA -0.224 53.363 54.000 -0.689 0.000 0.795 107 D CB 1.691 41.697 40.800 -1.323 0.000 1.369 107 D HN 0.488 nan 8.370 nan 0.000 0.425 108 L N 0.852 121.882 121.223 -0.321 0.000 2.334 108 L HA 0.567 5.107 4.340 0.334 0.000 0.272 108 L C -0.880 175.875 176.870 -0.190 0.000 1.020 108 L CA -0.740 54.042 54.840 -0.096 0.000 0.812 108 L CB 0.959 43.002 42.059 -0.027 0.000 1.264 108 L HN 0.300 nan 8.230 nan 0.000 0.439 109 Y N 0.332 120.614 120.300 -0.030 0.000 2.605 109 Y HA 0.536 5.286 4.550 0.334 0.000 0.343 109 Y C -0.615 175.478 175.900 0.322 0.000 1.036 109 Y CA -0.762 57.351 58.100 0.022 0.000 1.065 109 Y CB 2.150 40.649 38.460 0.066 0.000 1.288 109 Y HN 0.261 nan 8.280 nan 0.000 0.481 110 F N 1.564 121.673 119.950 0.266 0.000 2.495 110 F HA 0.347 5.074 4.527 0.334 0.000 0.327 110 F C -1.063 174.880 175.800 0.238 0.000 1.103 110 F CA -1.138 57.001 58.000 0.231 0.000 0.949 110 F CB 1.670 40.741 39.000 0.118 0.000 1.142 110 F HN 0.408 nan 8.300 nan 0.000 0.457 111 Y N 4.106 124.563 120.300 0.263 0.000 2.341 111 Y HA 0.337 5.087 4.550 0.334 0.000 0.338 111 Y C -0.962 174.972 175.900 0.056 0.000 0.965 111 Y CA -1.112 57.065 58.100 0.128 0.000 1.108 111 Y CB 1.106 39.605 38.460 0.065 0.000 1.180 111 Y HN 0.455 nan 8.280 nan 0.000 0.458 112 N N 3.827 122.097 118.700 -0.718 0.000 2.558 112 N HA 0.215 5.155 4.740 0.334 0.000 0.242 112 N C 0.779 175.779 175.510 -0.850 0.000 0.979 112 N CA 0.401 53.103 53.050 -0.581 0.000 0.931 112 N CB 1.565 39.867 38.487 -0.308 0.000 1.122 112 N HN 1.086 nan 8.380 nan 0.000 0.508 113 G N 2.215 110.645 108.800 -0.617 0.000 2.470 113 G HA2 -0.236 3.924 3.960 0.334 0.000 0.220 113 G HA3 -0.236 3.924 3.960 0.334 0.000 0.220 113 G C 1.229 176.029 174.900 -0.166 0.000 1.121 113 G CA 0.534 45.454 45.100 -0.300 0.000 0.766 113 G HN 0.539 nan 8.290 nan 0.000 0.553 114 E N 1.423 121.521 120.200 -0.171 0.000 2.051 114 E HA -0.120 4.430 4.350 0.334 0.000 0.192 114 E C 2.152 178.697 176.600 -0.093 0.000 0.991 114 E CA 1.657 57.994 56.400 -0.105 0.000 0.799 114 E CB -0.016 29.622 29.700 -0.102 0.000 0.748 114 E HN 0.646 nan 8.360 nan 0.000 0.449 115 N N -2.229 116.395 118.700 -0.126 0.000 2.171 115 N HA 0.152 5.093 4.740 0.334 0.000 0.212 115 N C 0.721 176.182 175.510 -0.081 0.000 1.184 115 N CA 0.653 53.653 53.050 -0.084 0.000 0.888 115 N CB 0.689 39.134 38.487 -0.071 0.000 1.038 115 N HN 0.150 nan 8.380 nan 0.000 0.517 116 G N 0.356 109.059 108.800 -0.162 0.000 2.176 116 G HA2 -0.333 3.828 3.960 0.334 0.000 0.252 116 G HA3 -0.333 3.828 3.960 0.334 0.000 0.252 116 G C -0.466 174.417 174.900 -0.030 0.000 1.024 116 G CA 0.292 45.347 45.100 -0.075 0.000 0.755 116 G HN 0.646 nan 8.290 nan 0.000 0.507 117 E N -0.385 119.738 120.200 -0.128 0.000 2.313 117 E HA 0.532 5.083 4.350 0.334 0.000 0.276 117 E C -0.328 176.307 176.600 0.058 0.000 1.031 117 E CA -0.846 55.541 56.400 -0.021 0.000 0.857 117 E CB 0.585 30.264 29.700 -0.034 0.000 1.040 117 E HN 0.339 nan 8.360 nan 0.000 0.408 118 I N 4.141 124.806 120.570 0.158 0.000 2.436 118 I HA 0.367 4.737 4.170 0.334 0.000 0.289 118 I C -1.461 174.807 176.117 0.252 0.000 1.010 118 I CA -0.484 60.974 61.300 0.263 0.000 1.098 118 I CB 1.379 39.524 38.000 0.243 0.000 1.266 118 I HN 0.354 nan 8.210 nan 0.000 0.434 119 K N 6.423 127.002 120.400 0.297 0.000 2.513 119 K HA 0.486 5.006 4.320 0.334 0.000 0.251 119 K C -0.998 175.557 176.600 -0.074 0.000 0.939 119 K CA -0.639 55.737 56.287 0.147 0.000 0.793 119 K CB 1.355 33.897 32.500 0.071 0.000 1.241 119 K HN 0.609 nan 8.250 nan 0.000 0.431 120 R N 5.089 125.337 120.500 -0.421 0.000 2.442 120 R HA 0.185 4.726 4.340 0.334 0.000 0.291 120 R C 0.257 176.130 176.300 -0.713 0.000 1.069 120 R CA -0.156 55.232 56.100 -1.188 0.000 1.022 120 R CB 0.392 29.979 30.300 -1.188 0.000 0.976 120 R HN 0.677 nan 8.270 nan 0.000 0.443 121 I N 2.112 122.221 120.570 -0.768 0.000 3.172 121 I HA 0.000 4.371 4.170 0.334 0.000 0.278 121 I C 0.945 176.813 176.117 -0.415 0.000 1.174 121 I CA 0.775 61.734 61.300 -0.568 0.000 1.445 121 I CB -0.425 37.113 38.000 -0.769 0.000 1.175 121 I HN 0.657 nan 8.210 nan 0.000 0.447 122 T N -1.872 112.305 114.554 -0.629 0.000 2.885 122 T HA 0.529 5.079 4.350 0.334 0.000 0.285 122 T C -0.791 173.332 174.700 -0.962 0.000 1.019 122 T CA -0.326 61.325 62.100 -0.748 0.000 1.010 122 T CB 1.895 70.297 68.868 -0.776 0.000 1.022 122 T HN 0.038 nan 8.240 nan 0.000 0.466 123 Y N 1.306 121.128 120.300 -0.797 0.000 2.578 123 Y HA 0.426 5.176 4.550 0.334 0.000 0.317 123 Y C 0.402 176.094 175.900 -0.346 0.000 0.940 123 Y CA -1.438 56.405 58.100 -0.428 0.000 1.174 123 Y CB -0.190 38.150 38.460 -0.200 0.000 1.198 123 Y HN 0.754 nan 8.280 nan 0.000 0.597 124 F N -1.387 118.453 119.950 -0.184 0.000 2.530 124 F HA 0.010 4.737 4.527 0.334 0.000 0.292 124 F C 1.627 177.350 175.800 -0.129 0.000 1.109 124 F CA 0.334 58.217 58.000 -0.195 0.000 1.450 124 F CB 0.322 39.129 39.000 -0.323 0.000 1.114 124 F HN 0.123 nan 8.300 nan 0.000 0.560 125 S N 1.312 117.026 115.700 0.023 0.000 3.628 125 S HA -0.148 4.522 4.470 0.334 0.000 0.373 125 S C 0.498 175.123 174.600 0.042 0.000 0.968 125 S CA -0.008 58.228 58.200 0.059 0.000 1.215 125 S CB -1.656 61.621 63.200 0.128 0.000 0.912 125 S HN 0.597 nan 8.310 nan 0.000 0.495 126 G N 1.611 110.417 108.800 0.011 0.000 2.484 126 G HA2 0.275 4.435 3.960 0.334 0.000 0.235 126 G HA3 0.275 4.435 3.960 0.334 0.000 0.235 126 G C -0.030 174.862 174.900 -0.015 0.000 1.282 126 G CA -0.360 44.730 45.100 -0.018 0.000 0.857 126 G HN 0.695 nan 8.290 nan 0.000 0.571 127 K N 0.398 120.775 120.400 -0.037 0.000 2.326 127 K HA 0.394 4.914 4.320 0.334 0.000 0.275 127 K C 0.076 176.622 176.600 -0.091 0.000 1.018 127 K CA 0.092 56.343 56.287 -0.059 0.000 0.962 127 K CB 1.146 33.598 32.500 -0.080 0.000 0.953 127 K HN 0.392 nan 8.250 nan 0.000 0.475 128 S N 1.072 116.695 115.700 -0.128 0.000 2.536 128 S HA 0.476 5.147 4.470 0.334 0.000 0.271 128 S C -1.149 173.304 174.600 -0.245 0.000 1.134 128 S CA -0.685 57.398 58.200 -0.195 0.000 0.897 128 S CB 1.493 64.615 63.200 -0.130 0.000 1.094 128 S HN 0.682 nan 8.310 nan 0.000 0.473 129 T N 0.551 114.901 114.554 -0.340 0.000 2.906 129 T HA 0.615 5.165 4.350 0.334 0.000 0.295 129 T C 1.318 175.815 174.700 -0.339 0.000 1.075 129 T CA -0.175 61.723 62.100 -0.337 0.000 1.005 129 T CB 1.024 69.653 68.868 -0.398 0.000 1.136 129 T HN 0.782 nan 8.240 nan 0.000 0.498 130 G N 0.878 109.508 108.800 -0.283 0.000 2.462 130 G HA2 -0.189 3.972 3.960 0.334 0.000 0.220 130 G HA3 -0.189 3.972 3.960 0.334 0.000 0.220 130 G C 1.407 176.149 174.900 -0.263 0.000 1.121 130 G CA 0.819 45.793 45.100 -0.211 0.000 0.758 130 G HN 0.940 nan 8.290 nan 0.000 0.559 131 R N -0.712 119.539 120.500 -0.415 0.000 2.312 131 R HA 0.280 4.820 4.340 0.334 0.000 0.205 131 R C 0.486 176.448 176.300 -0.563 0.000 0.904 131 R CA -0.102 55.712 56.100 -0.477 0.000 1.052 131 R CB 0.315 30.190 30.300 -0.709 0.000 1.014 131 R HN 0.111 nan 8.270 nan 0.000 0.503 132 R N 1.181 121.249 120.500 -0.720 0.000 2.687 132 R HA 0.296 4.837 4.340 0.334 0.000 0.264 132 R C -0.817 174.849 176.300 -1.058 0.000 1.715 132 R CA -0.191 55.144 56.100 -1.275 0.000 1.633 132 R CB 1.223 30.610 30.300 -1.521 0.000 1.353 132 R HN 0.073 nan 8.270 nan 0.000 0.653 133 M N 2.706 121.965 119.600 -0.568 0.000 3.436 133 M HA 0.259 4.939 4.480 0.334 0.000 0.240 133 M C -0.414 175.906 176.300 0.034 0.000 1.469 133 M CA 0.486 55.653 55.300 -0.221 0.000 1.622 133 M CB -0.185 32.372 32.600 -0.072 0.000 1.098 133 M HN 0.275 nan 8.290 nan 0.000 0.568 134 F N 0.383 120.232 119.950 -0.168 0.000 2.378 134 F HA 0.250 4.978 4.527 0.334 0.000 0.319 134 F C 1.176 176.913 175.800 -0.106 0.000 1.155 134 F CA -0.714 57.200 58.000 -0.143 0.000 1.157 134 F CB 1.125 40.023 39.000 -0.170 0.000 1.252 134 F HN 0.349 nan 8.300 nan 0.000 0.550 135 T N 1.589 116.190 114.554 0.079 0.000 2.506 135 T HA -0.142 4.408 4.350 0.334 0.000 0.515 135 T C -1.072 173.644 174.700 0.025 0.000 0.826 135 T CA -0.004 62.098 62.100 0.002 0.000 2.733 135 T CB -0.830 68.035 68.868 -0.004 0.000 1.744 135 T HN 0.722 nan 8.240 nan 0.000 0.548 136 D N 0.355 120.763 120.400 0.014 0.000 2.759 136 D HA 0.563 5.404 4.640 0.334 0.000 0.321 136 D C -0.580 175.728 176.300 0.014 0.000 1.267 136 D CA -0.492 53.529 54.000 0.036 0.000 0.933 136 D CB 1.656 42.490 40.800 0.057 0.000 1.431 136 D HN 0.291 nan 8.370 nan 0.000 0.504 137 V N 1.380 121.307 119.914 0.022 0.000 2.530 137 V HA 0.528 4.849 4.120 0.334 0.000 0.282 137 V C 1.040 177.088 176.094 -0.077 0.000 1.048 137 V CA 0.558 62.831 62.300 -0.045 0.000 0.997 137 V CB 0.916 32.724 31.823 -0.026 0.000 0.987 137 V HN 0.707 nan 8.190 nan 0.000 0.477 138 A N 3.634 126.380 122.820 -0.124 0.000 2.108 138 A HA 0.737 5.257 4.320 0.334 0.000 0.206 138 A C 0.961 178.529 177.584 -0.026 0.000 1.212 138 A CA 0.766 52.751 52.037 -0.087 0.000 0.843 138 A CB 0.285 19.242 19.000 -0.073 0.000 0.902 138 A HN 1.354 nan 8.150 nan 0.000 0.477 139 G N -1.907 106.780 108.800 -0.188 0.000 2.343 139 G HA2 0.421 4.581 3.960 0.334 0.000 0.289 139 G HA3 0.421 4.581 3.960 0.334 0.000 0.289 139 G C -1.686 172.927 174.900 -0.479 0.000 1.295 139 G CA -0.765 44.265 45.100 -0.117 0.000 0.869 139 G HN 0.280 nan 8.290 nan 0.000 0.522 140 F N 1.159 121.174 119.950 0.109 0.000 2.556 140 F HA 0.509 5.236 4.527 0.334 0.000 0.314 140 F C 0.073 175.774 175.800 -0.165 0.000 1.106 140 F CA -0.634 57.351 58.000 -0.025 0.000 0.911 140 F CB 2.297 41.246 39.000 -0.084 0.000 1.190 140 F HN 0.695 nan 8.300 nan 0.000 0.448 141 D N 2.191 122.473 120.400 -0.197 0.000 2.377 141 D HA 0.246 5.086 4.640 0.334 0.000 0.245 141 D C -2.132 173.881 176.300 -0.478 0.000 1.196 141 D CA -1.993 51.520 54.000 -0.812 0.000 0.962 141 D CB 0.295 40.791 40.800 -0.506 0.000 1.127 141 D HN 0.162 nan 8.370 nan 0.000 0.471 142 P HA -0.118 nan 4.420 nan 0.000 0.217 142 P C 0.294 177.547 177.300 -0.078 0.000 1.148 142 P CA 1.157 64.146 63.100 -0.185 0.000 0.828 142 P CB 0.103 31.739 31.700 -0.108 0.000 0.783 143 D N -2.217 118.140 120.400 -0.071 0.000 2.363 143 D HA 0.093 4.933 4.640 0.334 0.000 0.220 143 D C 1.619 177.939 176.300 0.033 0.000 0.994 143 D CA 1.158 55.154 54.000 -0.007 0.000 0.890 143 D CB -0.462 40.341 40.800 0.005 0.000 0.906 143 D HN 0.159 nan 8.370 nan 0.000 0.530 144 G N 0.615 109.442 108.800 0.046 0.000 2.175 144 G HA2 -0.281 3.880 3.960 0.334 0.000 0.244 144 G HA3 -0.281 3.880 3.960 0.334 0.000 0.244 144 G C 0.051 175.118 174.900 0.279 0.000 0.982 144 G CA -0.274 44.906 45.100 0.134 0.000 0.641 144 G HN 0.372 nan 8.290 nan 0.000 0.527 145 N N 0.025 118.849 118.700 0.207 0.000 2.530 145 N HA 0.505 5.446 4.740 0.334 0.000 0.273 145 N C 0.111 175.774 175.510 0.255 0.000 1.173 145 N CA -0.578 52.628 53.050 0.260 0.000 0.967 145 N CB 1.308 39.888 38.487 0.154 0.000 1.109 145 N HN 0.285 nan 8.380 nan 0.000 0.453 146 L N 3.057 124.451 121.223 0.285 0.000 2.410 146 L HA 0.259 4.799 4.340 0.334 0.000 0.273 146 L C -0.968 175.900 176.870 -0.004 0.000 1.152 146 L CA 0.253 55.088 54.840 -0.009 0.000 0.855 146 L CB 0.114 42.279 42.059 0.176 0.000 1.129 146 L HN 0.450 nan 8.230 nan 0.000 0.463 147 I N 6.824 127.299 120.570 -0.158 0.000 2.378 147 I HA 0.366 4.736 4.170 0.334 0.000 0.291 147 I C 0.134 176.231 176.117 -0.034 0.000 0.992 147 I CA -0.450 60.846 61.300 -0.008 0.000 1.154 147 I CB 1.173 39.199 38.000 0.042 0.000 1.315 147 I HN 0.640 nan 8.210 nan 0.000 0.448 148 I N 1.924 122.547 120.570 0.089 0.000 2.750 148 I HA 0.702 5.072 4.170 0.334 0.000 0.308 148 I C -0.020 176.141 176.117 0.073 0.000 1.016 148 I CA -0.620 60.727 61.300 0.077 0.000 1.098 148 I CB 2.181 40.273 38.000 0.153 0.000 1.279 148 I HN 0.482 nan 8.210 nan 0.000 0.454 149 S N 2.539 118.238 115.700 -0.003 0.000 2.478 149 S HA 0.707 5.377 4.470 0.334 0.000 0.312 149 S C -0.593 173.952 174.600 -0.092 0.000 1.094 149 S CA -0.194 57.964 58.200 -0.070 0.000 1.081 149 S CB 1.028 64.138 63.200 -0.148 0.000 1.007 149 S HN 0.952 nan 8.310 nan 0.000 0.475 150 T N 2.141 116.630 114.554 -0.108 0.000 2.957 150 T HA 0.317 4.867 4.350 0.334 0.000 0.336 150 T C -0.829 173.732 174.700 -0.232 0.000 1.462 150 T CA -0.546 61.438 62.100 -0.193 0.000 1.073 150 T CB 1.243 69.946 68.868 -0.274 0.000 1.319 150 T HN 0.739 nan 8.240 nan 0.000 0.485 151 D N 1.968 122.208 120.400 -0.266 0.000 2.369 151 D HA 0.177 5.018 4.640 0.334 0.000 0.211 151 D C 1.811 177.923 176.300 -0.314 0.000 1.077 151 D CA 0.419 54.259 54.000 -0.268 0.000 0.842 151 D CB -0.036 40.642 40.800 -0.205 0.000 0.947 151 D HN 0.548 nan 8.370 nan 0.000 0.509 152 A N 0.938 123.515 122.820 -0.405 0.000 1.971 152 A HA -0.179 4.342 4.320 0.334 0.000 0.222 152 A C 1.885 179.178 177.584 -0.486 0.000 1.182 152 A CA 1.448 53.200 52.037 -0.474 0.000 0.649 152 A CB -0.466 18.076 19.000 -0.764 0.000 0.818 152 A HN 0.235 nan 8.150 nan 0.000 0.458 153 M N -0.172 119.108 119.600 -0.533 0.000 2.771 153 M HA 0.239 4.919 4.480 0.334 0.000 0.341 153 M C -0.468 175.637 176.300 -0.326 0.000 1.226 153 M CA 0.207 55.258 55.300 -0.415 0.000 0.955 153 M CB 0.692 33.042 32.600 -0.417 0.000 1.318 153 M HN 0.241 nan 8.290 nan 0.000 0.514 154 Q N -0.211 119.385 119.800 -0.341 0.000 2.416 154 Q HA 0.517 5.057 4.340 0.334 0.000 0.279 154 Q C -2.016 173.705 176.000 -0.464 0.000 1.101 154 Q CA -1.762 53.826 55.803 -0.359 0.000 0.830 154 Q CB 1.153 29.695 28.738 -0.326 0.000 1.402 154 Q HN -0.043 nan 8.270 nan 0.000 0.445 155 P HA 0.047 nan 4.420 nan 0.000 0.233 155 P C -0.486 176.080 177.300 -1.223 0.000 1.167 155 P CA 0.853 63.412 63.100 -0.903 0.000 0.770 155 P CB 0.324 31.357 31.700 -1.112 0.000 0.837 156 F N -0.445 119.168 119.950 -0.561 0.000 2.569 156 F HA 0.216 4.943 4.527 0.334 0.000 0.312 156 F C 1.791 177.346 175.800 -0.409 0.000 1.109 156 F CA -0.804 56.868 58.000 -0.547 0.000 0.919 156 F CB 1.384 39.823 39.000 -0.936 0.000 1.211 156 F HN -0.347 nan 8.300 nan 0.000 0.446 157 S N -0.315 115.342 115.700 -0.071 0.000 2.400 157 S HA -0.172 4.498 4.470 0.334 0.000 0.232 157 S C 1.661 176.276 174.600 0.025 0.000 1.025 157 S CA 1.749 59.941 58.200 -0.013 0.000 0.993 157 S CB -0.450 62.756 63.200 0.011 0.000 0.808 157 S HN 0.555 nan 8.310 nan 0.000 0.478 158 S N 1.114 116.760 115.700 -0.091 0.000 2.515 158 S HA 0.270 4.940 4.470 0.334 0.000 0.231 158 S C 0.822 175.121 174.600 -0.503 0.000 0.987 158 S CA 0.453 58.457 58.200 -0.326 0.000 0.936 158 S CB -0.432 62.352 63.200 -0.692 0.000 0.766 158 S HN 0.553 nan 8.310 nan 0.000 0.528 159 M N 3.045 122.409 119.600 -0.394 0.000 3.586 159 M HA 0.058 4.738 4.480 0.334 0.000 0.225 159 M C 0.016 176.095 176.300 -0.368 0.000 1.428 159 M CA -0.061 55.014 55.300 -0.375 0.000 1.613 159 M CB -0.319 32.057 32.600 -0.373 0.000 1.063 159 M HN 0.055 nan 8.290 nan 0.000 0.593 160 T N -1.241 113.046 114.554 -0.445 0.000 3.185 160 T HA 0.265 4.815 4.350 0.334 0.000 0.287 160 T C 0.265 174.760 174.700 -0.342 0.000 1.051 160 T CA -0.779 61.055 62.100 -0.444 0.000 1.051 160 T CB -0.705 67.745 68.868 -0.697 0.000 1.034 160 T HN 0.426 nan 8.240 nan 0.000 0.685 161 C N 3.653 122.785 119.300 -0.280 0.000 2.595 161 C HA 0.443 5.103 4.460 0.334 0.000 0.384 161 C C 0.975 175.769 174.990 -0.327 0.000 1.289 161 C CA -1.070 57.737 59.018 -0.352 0.000 2.372 161 C CB -0.276 27.215 27.740 -0.414 0.000 2.593 161 C HN 0.773 nan 8.230 nan 0.000 0.639 162 L N 1.878 122.838 121.223 -0.438 0.000 2.312 162 L HA 0.488 5.029 4.340 0.334 0.000 0.281 162 L C -0.898 175.711 176.870 -0.436 0.000 1.070 162 L CA -0.112 54.557 54.840 -0.286 0.000 0.805 162 L CB 0.300 42.242 42.059 -0.195 0.000 1.174 162 L HN 0.650 nan 8.230 nan 0.000 0.434 163 Y N 1.151 121.460 120.300 0.015 0.000 2.492 163 Y HA 0.451 5.201 4.550 0.334 0.000 0.346 163 Y C -0.210 175.776 175.900 0.145 0.000 0.997 163 Y CA -0.867 57.295 58.100 0.103 0.000 1.025 163 Y CB 1.985 40.548 38.460 0.173 0.000 1.263 163 Y HN 0.470 nan 8.280 nan 0.000 0.454 164 R N 1.909 122.587 120.500 0.297 0.000 2.297 164 R HA 0.654 5.194 4.340 0.334 0.000 0.308 164 R C -1.445 174.985 176.300 0.216 0.000 1.029 164 R CA -0.466 55.762 56.100 0.215 0.000 0.929 164 R CB 0.787 31.181 30.300 0.157 0.000 1.046 164 R HN 0.575 nan 8.270 nan 0.000 0.461 165 V N 4.232 124.251 119.914 0.174 0.000 2.546 165 V HA 0.238 4.558 4.120 0.334 0.000 0.284 165 V C 0.030 176.132 176.094 0.013 0.000 1.050 165 V CA -0.144 62.178 62.300 0.037 0.000 0.981 165 V CB 1.375 33.279 31.823 0.134 0.000 0.990 165 V HN 0.843 nan 8.190 nan 0.000 0.474 166 E N 3.045 123.169 120.200 -0.127 0.000 2.288 166 E HA 0.392 4.943 4.350 0.334 0.000 0.268 166 E C -0.442 176.111 176.600 -0.080 0.000 0.885 166 E CA -0.892 55.479 56.400 -0.049 0.000 0.767 166 E CB 1.314 30.997 29.700 -0.029 0.000 1.220 166 E HN 0.684 nan 8.360 nan 0.000 0.427 167 N N 3.125 121.817 118.700 -0.014 0.000 2.707 167 N HA -0.195 4.745 4.740 0.334 0.000 0.253 167 N C -1.032 174.459 175.510 -0.032 0.000 0.998 167 N CA 1.167 54.207 53.050 -0.016 0.000 0.751 167 N CB -0.918 37.548 38.487 -0.036 0.000 0.920 167 N HN 0.713 nan 8.380 nan 0.000 0.539 168 D N -1.466 118.935 120.400 0.002 0.000 2.708 168 D HA -0.182 4.658 4.640 0.334 0.000 0.236 168 D C 1.188 177.370 176.300 -0.198 0.000 1.146 168 D CA 2.123 56.075 54.000 -0.081 0.000 0.662 168 D CB -1.456 39.319 40.800 -0.041 0.000 1.059 168 D HN 0.887 nan 8.370 nan 0.000 0.428 169 G N -1.199 107.428 108.800 -0.288 0.000 2.176 169 G HA2 -0.319 3.841 3.960 0.334 0.000 0.232 169 G HA3 -0.319 3.841 3.960 0.334 0.000 0.232 169 G C 1.022 175.805 174.900 -0.195 0.000 0.986 169 G CA 0.163 45.031 45.100 -0.386 0.000 0.643 169 G HN 0.419 nan 8.290 nan 0.000 0.522 170 I N 0.434 120.944 120.570 -0.099 0.000 2.394 170 I HA 0.074 4.445 4.170 0.334 0.000 0.251 170 I C 1.083 177.345 176.117 0.242 0.000 1.136 170 I CA 1.554 62.920 61.300 0.110 0.000 1.425 170 I CB -0.628 37.387 38.000 0.025 0.000 1.079 170 I HN 0.432 nan 8.210 nan 0.000 0.425 171 N N -0.475 118.205 118.700 -0.034 0.000 2.367 171 N HA 0.387 5.328 4.740 0.334 0.000 0.278 171 N C -1.655 173.723 175.510 -0.220 0.000 1.117 171 N CA -0.433 52.685 53.050 0.115 0.000 0.867 171 N CB 1.447 40.004 38.487 0.117 0.000 1.649 171 N HN -0.206 nan 8.380 nan 0.000 0.479 172 F N 1.483 121.582 119.950 0.249 0.000 2.493 172 F HA 0.503 5.230 4.527 0.334 0.000 0.329 172 F C -0.327 175.638 175.800 0.274 0.000 1.126 172 F CA -0.860 57.260 58.000 0.200 0.000 0.937 172 F CB 1.858 40.885 39.000 0.045 0.000 1.146 172 F HN 0.056 nan 8.300 nan 0.000 0.442 173 V N 5.258 125.417 119.914 0.409 0.000 2.347 173 V HA 0.371 4.692 4.120 0.334 0.000 0.280 173 V C -2.112 174.164 176.094 0.304 0.000 1.021 173 V CA -1.978 60.510 62.300 0.313 0.000 0.847 173 V CB 1.250 33.189 31.823 0.194 0.000 0.990 173 V HN 0.476 nan 8.190 nan 0.000 0.444 174 P HA 0.210 nan 4.420 nan 0.000 0.275 174 P C 0.470 177.716 177.300 -0.091 0.000 1.227 174 P CA -0.083 62.940 63.100 -0.129 0.000 0.781 174 P CB 1.529 33.144 31.700 -0.142 0.000 0.906 175 L N 1.814 122.933 121.223 -0.173 0.000 2.446 175 L HA 0.048 4.588 4.340 0.334 0.000 0.219 175 L C 0.418 177.231 176.870 -0.095 0.000 1.116 175 L CA 0.310 55.107 54.840 -0.072 0.000 0.844 175 L CB -0.982 41.048 42.059 -0.048 0.000 0.970 175 L HN 0.471 nan 8.230 nan 0.000 0.457 176 N N 0.271 118.864 118.700 -0.179 0.000 2.725 176 N HA -0.211 4.730 4.740 0.334 0.000 0.251 176 N C 0.274 175.701 175.510 -0.139 0.000 1.031 176 N CA 0.064 53.031 53.050 -0.138 0.000 0.720 176 N CB -1.147 37.321 38.487 -0.031 0.000 0.930 176 N HN 0.284 nan 8.380 nan 0.000 0.543 177 L N -0.501 120.559 121.223 -0.272 0.000 2.769 177 L HA 0.347 4.887 4.340 0.334 0.000 0.240 177 L C 1.394 177.903 176.870 -0.602 0.000 1.163 177 L CA 0.282 54.910 54.840 -0.354 0.000 0.962 177 L CB 0.046 41.886 42.059 -0.366 0.000 1.258 177 L HN 0.480 nan 8.230 nan 0.000 0.513 178 G N 1.134 109.409 108.800 -0.875 0.000 2.760 178 G HA2 -0.175 3.985 3.960 0.334 0.000 0.246 178 G HA3 -0.175 3.985 3.960 0.334 0.000 0.246 178 G C -2.801 171.555 174.900 -0.906 0.000 1.359 178 G CA -0.962 43.116 45.100 -1.703 0.000 0.861 178 G HN 0.012 nan 8.290 nan 0.000 0.541 179 P HA 0.509 nan 4.420 nan 0.000 0.271 179 P C -0.118 176.985 177.300 -0.329 0.000 1.216 179 P CA 1.004 63.848 63.100 -0.428 0.000 0.776 179 P CB 1.317 32.849 31.700 -0.280 0.000 0.881 180 A N 2.266 124.921 122.820 -0.276 0.000 2.604 180 A HA 0.568 5.088 4.320 0.334 0.000 0.295 180 A C 0.593 178.076 177.584 -0.169 0.000 1.067 180 A CA -0.341 51.581 52.037 -0.192 0.000 0.683 180 A CB 0.810 19.687 19.000 -0.206 0.000 1.281 180 A HN 0.379 nan 8.150 nan 0.000 0.407 181 T N 0.137 114.629 114.554 -0.104 0.000 3.046 181 T HA 0.232 4.783 4.350 0.334 0.000 0.242 181 T C 0.152 174.644 174.700 -0.347 0.000 1.018 181 T CA 1.400 63.393 62.100 -0.178 0.000 1.131 181 T CB -0.219 68.619 68.868 -0.050 0.000 0.904 181 T HN 0.734 nan 8.240 nan 0.000 0.459 182 H N -0.479 118.601 119.070 0.017 0.000 2.690 182 H HA 0.714 5.471 4.556 0.334 0.000 0.368 182 H C -1.151 174.177 175.328 -0.000 0.000 1.150 182 H CA -0.754 55.310 56.048 0.027 0.000 1.174 182 H CB 2.207 32.002 29.762 0.056 0.000 1.684 182 H HN 0.120 nan 8.280 nan 0.000 0.538 183 I N 3.630 124.281 120.570 0.137 0.000 2.499 183 I HA 0.403 4.773 4.170 0.334 0.000 0.288 183 I C -1.655 174.516 176.117 0.090 0.000 1.048 183 I CA -0.552 60.769 61.300 0.035 0.000 1.062 183 I CB 0.866 38.862 38.000 -0.006 0.000 1.238 183 I HN 0.438 nan 8.210 nan 0.000 0.426 184 L N 6.530 127.741 121.223 -0.019 0.000 2.301 184 L HA 0.620 5.160 4.340 0.334 0.000 0.264 184 L C -1.451 175.349 176.870 -0.118 0.000 1.016 184 L CA -0.803 54.102 54.840 0.108 0.000 0.821 184 L CB 2.036 44.167 42.059 0.121 0.000 1.346 184 L HN 0.440 nan 8.230 nan 0.000 0.429 185 F N 0.738 120.755 119.950 0.112 0.000 2.536 185 F HA 0.698 5.426 4.527 0.334 0.000 0.322 185 F C 0.018 175.857 175.800 0.066 0.000 1.144 185 F CA -0.604 57.454 58.000 0.096 0.000 0.924 185 F CB 2.010 41.071 39.000 0.101 0.000 1.181 185 F HN 0.376 nan 8.300 nan 0.000 0.438 186 A N 2.286 125.205 122.820 0.164 0.000 2.359 186 A HA 0.605 5.126 4.320 0.334 0.000 0.303 186 A C -0.358 177.278 177.584 0.087 0.000 1.066 186 A CA -0.752 51.333 52.037 0.080 0.000 0.730 186 A CB 0.600 19.606 19.000 0.010 0.000 1.211 186 A HN 0.843 nan 8.150 nan 0.000 0.439 187 D N 1.834 122.284 120.400 0.084 0.000 2.737 187 D HA -0.248 4.592 4.640 0.334 0.000 0.233 187 D C 1.180 177.545 176.300 0.107 0.000 1.155 187 D CA 2.459 56.522 54.000 0.104 0.000 0.667 187 D CB -1.264 39.609 40.800 0.122 0.000 1.060 187 D HN 2.008 nan 8.370 nan 0.000 0.427 188 G N -0.093 108.792 108.800 0.140 0.000 2.234 188 G HA2 -0.378 3.783 3.960 0.334 0.000 0.260 188 G HA3 -0.378 3.783 3.960 0.334 0.000 0.260 188 G C 0.354 175.349 174.900 0.159 0.000 0.987 188 G CA 0.624 45.818 45.100 0.156 0.000 0.625 188 G HN 0.724 nan 8.290 nan 0.000 0.532 189 R N 0.215 120.779 120.500 0.106 0.000 2.540 189 R HA 0.752 5.293 4.340 0.334 0.000 0.287 189 R C 0.050 176.336 176.300 -0.023 0.000 0.980 189 R CA -1.032 55.087 56.100 0.033 0.000 0.966 189 R CB 1.293 31.579 30.300 -0.023 0.000 1.106 189 R HN 0.256 nan 8.270 nan 0.000 0.480 190 R N 1.476 121.924 120.500 -0.086 0.000 2.438 190 R HA 0.251 4.791 4.340 0.334 0.000 0.287 190 R C -0.591 175.692 176.300 -0.029 0.000 1.077 190 R CA -0.613 55.349 56.100 -0.231 0.000 1.034 190 R CB 1.164 31.420 30.300 -0.073 0.000 0.993 190 R HN 0.325 nan 8.270 nan 0.000 0.459 191 V N 5.566 125.412 119.914 -0.114 0.000 2.357 191 V HA 0.365 4.686 4.120 0.334 0.000 0.284 191 V C 0.102 176.214 176.094 0.030 0.000 1.018 191 V CA -0.594 61.725 62.300 0.032 0.000 0.841 191 V CB 1.412 33.252 31.823 0.028 0.000 0.991 191 V HN 0.625 nan 8.190 nan 0.000 0.437 192 I N 4.008 124.646 120.570 0.113 0.000 2.362 192 I HA 0.574 4.944 4.170 0.334 0.000 0.289 192 I C 0.791 176.969 176.117 0.102 0.000 0.994 192 I CA -0.273 61.059 61.300 0.052 0.000 1.158 192 I CB 1.802 39.764 38.000 -0.063 0.000 1.315 192 I HN 0.709 nan 8.210 nan 0.000 0.451 193 G N 6.320 115.173 108.800 0.089 0.000 2.347 193 G HA2 0.540 4.700 3.960 0.334 0.000 0.314 193 G HA3 0.540 4.700 3.960 0.334 0.000 0.314 193 G C -0.408 174.540 174.900 0.081 0.000 1.126 193 G CA -0.583 44.583 45.100 0.110 0.000 0.929 193 G HN 0.544 nan 8.290 nan 0.000 0.441 194 R N 1.946 122.487 120.500 0.068 0.000 2.346 194 R HA 0.250 4.790 4.340 0.334 0.000 0.311 194 R C 0.275 176.590 176.300 0.025 0.000 0.983 194 R CA -0.550 55.575 56.100 0.042 0.000 0.880 194 R CB 0.982 31.318 30.300 0.060 0.000 1.100 194 R HN 0.814 nan 8.270 nan 0.000 0.453 195 N N -0.334 118.375 118.700 0.015 0.000 2.714 195 N HA -0.209 4.731 4.740 0.334 0.000 0.250 195 N C 0.006 175.269 175.510 -0.411 0.000 1.117 195 N CA 1.147 54.083 53.050 -0.190 0.000 0.719 195 N CB -0.941 37.550 38.487 0.006 0.000 1.081 195 N HN 0.743 nan 8.380 nan 0.000 0.557 196 T N -2.205 112.259 114.554 -0.149 0.000 3.434 196 T HA 0.220 4.770 4.350 0.334 0.000 0.249 196 T C 0.402 175.225 174.700 0.204 0.000 1.050 196 T CA -0.449 61.639 62.100 -0.019 0.000 0.952 196 T CB -0.829 68.123 68.868 0.141 0.000 1.046 196 T HN 0.361 nan 8.240 nan 0.000 0.590 197 F N 0.259 120.471 119.950 0.437 0.000 2.370 197 F HA 0.718 5.446 4.527 0.334 0.000 0.319 197 F C 0.386 176.477 175.800 0.485 0.000 1.129 197 F CA -1.938 56.318 58.000 0.427 0.000 1.109 197 F CB 0.400 39.611 39.000 0.351 0.000 1.262 197 F HN -0.183 nan 8.300 nan 0.000 0.534 198 E N 0.983 121.586 120.200 0.672 0.000 2.408 198 E HA 0.228 4.778 4.350 0.334 0.000 0.259 198 E C -0.461 176.459 176.600 0.533 0.000 1.110 198 E CA -0.021 56.709 56.400 0.549 0.000 0.929 198 E CB 1.017 30.979 29.700 0.435 0.000 0.971 198 E HN 0.674 nan 8.360 nan 0.000 0.438 199 L N 3.460 124.885 121.223 0.337 0.000 2.678 199 L HA 0.161 4.701 4.340 0.334 0.000 0.250 199 L C -1.550 175.375 176.870 0.091 0.000 1.455 199 L CA -1.202 53.733 54.840 0.159 0.000 0.823 199 L CB 1.193 43.125 42.059 -0.211 0.000 1.107 199 L HN 0.249 nan 8.230 nan 0.000 0.514 200 P HA -0.193 nan 4.420 nan 0.000 0.222 200 P C 0.985 178.341 177.300 0.094 0.000 1.147 200 P CA 1.343 64.514 63.100 0.119 0.000 0.790 200 P CB -0.071 31.720 31.700 0.152 0.000 0.780 201 H N -4.606 114.534 119.070 0.117 0.000 2.539 201 H HA 0.068 4.825 4.556 0.334 0.000 0.267 201 H C -0.140 175.318 175.328 0.216 0.000 0.982 201 H CA -0.100 56.028 56.048 0.132 0.000 1.146 201 H CB -0.389 29.474 29.762 0.168 0.000 1.382 201 H HN 0.165 nan 8.280 nan 0.000 0.577 202 W N 2.584 123.630 121.300 -0.425 0.000 2.258 202 W HA 0.380 5.241 4.660 0.335 0.000 0.287 202 W C -1.141 175.306 176.519 -0.120 0.000 1.024 202 W CA -1.760 55.434 57.345 -0.253 0.000 1.377 202 W CB 0.570 29.812 29.460 -0.365 0.000 1.351 202 W HN -0.185 nan 8.180 nan 0.000 0.334 203 K N 1.064 121.604 120.400 0.232 0.000 2.401 203 K HA 0.448 4.968 4.320 0.334 0.000 0.278 203 K C 1.117 177.876 176.600 0.264 0.000 1.018 203 K CA 1.559 57.933 56.287 0.146 0.000 0.981 203 K CB 0.544 33.051 32.500 0.012 0.000 0.933 203 K HN 0.587 nan 8.250 nan 0.000 0.477 204 G N 2.043 110.963 108.800 0.201 0.000 2.143 204 G HA2 -0.320 3.841 3.960 0.334 0.000 0.248 204 G HA3 -0.320 3.841 3.960 0.334 0.000 0.248 204 G C -0.379 174.530 174.900 0.014 0.000 0.991 204 G CA 0.151 45.339 45.100 0.147 0.000 0.689 204 G HN 0.599 nan 8.290 nan 0.000 0.522 205 Y N 1.055 121.138 120.300 -0.361 0.000 2.717 205 Y HA 0.402 5.153 4.550 0.334 0.000 0.330 205 Y C 1.365 177.010 175.900 -0.425 0.000 1.217 205 Y CA 0.131 57.717 58.100 -0.856 0.000 1.506 205 Y CB 0.406 38.164 38.460 -1.170 0.000 1.268 205 Y HN 0.210 nan 8.280 nan 0.000 0.561 206 R N 3.864 123.797 120.500 -0.945 0.000 2.590 206 R HA 0.238 4.779 4.340 0.334 0.000 0.410 206 R C 0.684 176.468 176.300 -0.861 0.000 1.010 206 R CA 0.113 55.810 56.100 -0.671 0.000 1.155 206 R CB 0.586 30.736 30.300 -0.250 0.000 1.455 206 R HN 0.853 nan 8.270 nan 0.000 0.567 207 G N -0.608 107.172 108.800 -1.701 0.000 2.653 207 G HA2 0.192 4.353 3.960 0.334 0.000 0.265 207 G HA3 0.192 4.353 3.960 0.334 0.000 0.265 207 G C 1.004 175.554 174.900 -0.582 0.000 1.237 207 G CA -0.025 44.471 45.100 -1.007 0.000 0.946 207 G HN 0.182 nan 8.290 nan 0.000 0.522 208 G N -1.565 107.075 108.800 -0.266 0.000 2.509 208 G HA2 -0.044 4.117 3.960 0.334 0.000 0.218 208 G HA3 -0.044 4.117 3.960 0.334 0.000 0.218 208 G C 1.238 176.113 174.900 -0.040 0.000 1.124 208 G CA 1.370 46.372 45.100 -0.163 0.000 0.776 208 G HN 0.597 nan 8.290 nan 0.000 0.547 209 T N 0.916 115.575 114.554 0.176 0.000 3.188 209 T HA 0.160 4.710 4.350 0.334 0.000 0.250 209 T C 0.987 175.882 174.700 0.325 0.000 1.077 209 T CA -0.577 61.672 62.100 0.248 0.000 0.967 209 T CB -0.055 69.105 68.868 0.486 0.000 1.006 209 T HN 0.548 nan 8.240 nan 0.000 0.552 210 R N 1.254 121.889 120.500 0.226 0.000 2.643 210 R HA 0.422 4.962 4.340 0.334 0.000 0.270 210 R C 0.574 176.964 176.300 0.150 0.000 1.061 210 R CA -0.520 55.740 56.100 0.267 0.000 1.107 210 R CB 0.070 30.339 30.300 -0.052 0.000 0.999 210 R HN 0.102 nan 8.270 nan 0.000 0.460 211 G N 2.431 111.321 108.800 0.150 0.000 2.265 211 G HA2 0.060 4.220 3.960 0.334 0.000 0.240 211 G HA3 0.060 4.220 3.960 0.334 0.000 0.240 211 G C -0.669 174.128 174.900 -0.172 0.000 1.270 211 G CA -0.352 44.653 45.100 -0.158 0.000 0.901 211 G HN 0.601 nan 8.290 nan 0.000 0.507 212 K N 1.106 121.453 120.400 -0.088 0.000 2.482 212 K HA 0.585 5.105 4.320 0.334 0.000 0.257 212 K C -0.789 175.809 176.600 -0.003 0.000 0.969 212 K CA -0.809 55.430 56.287 -0.080 0.000 0.842 212 K CB 2.591 35.098 32.500 0.011 0.000 1.359 212 K HN 0.376 nan 8.250 nan 0.000 0.441 213 I N 1.024 121.558 120.570 -0.060 0.000 2.498 213 I HA 0.418 4.788 4.170 0.334 0.000 0.290 213 I C -1.327 174.829 176.117 0.065 0.000 1.032 213 I CA -0.773 60.549 61.300 0.037 0.000 1.073 213 I CB 1.325 39.281 38.000 -0.074 0.000 1.251 213 I HN 0.433 nan 8.210 nan 0.000 0.426 214 W N 6.272 127.574 121.300 0.003 0.000 2.761 214 W HA 0.734 5.594 4.660 0.334 0.000 0.340 214 W C -0.635 175.973 176.519 0.147 0.000 1.072 214 W CA -0.560 56.833 57.345 0.080 0.000 1.215 214 W CB 1.537 31.052 29.460 0.093 0.000 1.420 214 W HN 0.187 nan 8.180 nan 0.000 0.519 215 I N 1.419 122.230 120.570 0.402 0.000 2.647 215 I HA 0.251 4.621 4.170 0.334 0.000 0.295 215 I C -0.313 175.887 176.117 0.138 0.000 1.078 215 I CA -0.952 60.498 61.300 0.250 0.000 1.048 215 I CB 1.708 39.772 38.000 0.107 0.000 1.239 215 I HN 0.413 nan 8.210 nan 0.000 0.421 216 E N 4.726 124.832 120.200 -0.156 0.000 2.360 216 E HA 0.162 4.712 4.350 0.334 0.000 0.269 216 E C 0.220 176.648 176.600 -0.286 0.000 1.022 216 E CA -0.123 55.855 56.400 -0.704 0.000 0.887 216 E CB 1.169 30.376 29.700 -0.822 0.000 0.990 216 E HN 0.534 nan 8.360 nan 0.000 0.426 217 V N 1.172 120.940 119.914 -0.243 0.000 3.013 217 V HA 0.260 4.580 4.120 0.334 0.000 0.238 217 V C 0.397 176.432 176.094 -0.098 0.000 1.161 217 V CA 0.202 62.439 62.300 -0.105 0.000 1.170 217 V CB -0.015 31.781 31.823 -0.045 0.000 0.917 217 V HN 0.567 nan 8.190 nan 0.000 0.478 218 N N 1.415 120.041 118.700 -0.123 0.000 2.284 218 N HA 0.376 5.316 4.740 0.334 0.000 0.300 218 N C -0.168 175.277 175.510 -0.108 0.000 1.047 218 N CA 0.289 53.290 53.050 -0.081 0.000 0.821 218 N CB 2.020 40.475 38.487 -0.053 0.000 1.337 218 N HN 0.498 nan 8.380 nan 0.000 0.482 219 S N 2.315 117.978 115.700 -0.061 0.000 2.998 219 S HA 0.243 4.913 4.470 0.334 0.000 0.348 219 S C 1.322 175.916 174.600 -0.010 0.000 1.210 219 S CA 0.431 58.609 58.200 -0.037 0.000 1.118 219 S CB -0.800 62.407 63.200 0.011 0.000 0.832 219 S HN 1.298 nan 8.310 nan 0.000 0.516 220 G N 1.936 110.733 108.800 -0.004 0.000 2.217 220 G HA2 0.023 4.184 3.960 0.334 0.000 0.246 220 G HA3 0.023 4.184 3.960 0.334 0.000 0.246 220 G C 0.166 175.203 174.900 0.228 0.000 0.990 220 G CA -0.158 45.044 45.100 0.169 0.000 0.627 220 G HN 1.856 nan 8.290 nan 0.000 0.522 221 A N -0.116 122.691 122.820 -0.022 0.000 2.304 221 A HA 0.875 5.396 4.320 0.334 0.000 0.323 221 A C -0.731 176.826 177.584 -0.045 0.000 1.195 221 A CA -0.470 51.592 52.037 0.041 0.000 0.826 221 A CB 0.889 19.848 19.000 -0.069 0.000 1.184 221 A HN 0.631 nan 8.150 nan 0.000 0.496 222 F N 0.825 121.043 119.950 0.446 0.000 2.561 222 F HA 0.657 5.385 4.527 0.334 0.000 0.321 222 F C 0.317 176.435 175.800 0.530 0.000 1.065 222 F CA -0.558 57.714 58.000 0.453 0.000 0.934 222 F CB 2.445 41.703 39.000 0.430 0.000 1.215 222 F HN 0.569 nan 8.300 nan 0.000 0.471 223 K N 1.858 122.586 120.400 0.548 0.000 2.371 223 K HA 0.379 4.899 4.320 0.334 0.000 0.251 223 K C -1.238 175.335 176.600 -0.045 0.000 0.934 223 K CA -0.880 55.547 56.287 0.235 0.000 0.798 223 K CB 1.994 34.544 32.500 0.083 0.000 1.204 223 K HN 0.675 nan 8.250 nan 0.000 0.427 224 K N 5.595 125.583 120.400 -0.688 0.000 2.284 224 K HA 0.168 4.688 4.320 0.334 0.000 0.287 224 K C 0.878 177.171 176.600 -0.512 0.000 1.081 224 K CA -0.203 55.385 56.287 -1.165 0.000 0.910 224 K CB 0.319 31.818 32.500 -1.669 0.000 1.088 224 K HN 0.676 nan 8.250 nan 0.000 0.478 225 I N 0.955 121.327 120.570 -0.330 0.000 3.526 225 I HA 0.136 4.507 4.170 0.334 0.000 0.294 225 I C -0.306 175.699 176.117 -0.186 0.000 1.229 225 I CA -0.380 60.807 61.300 -0.188 0.000 1.408 225 I CB 0.794 38.743 38.000 -0.084 0.000 1.127 225 I HN 0.044 nan 8.210 nan 0.000 0.439 226 V N 3.160 122.933 119.914 -0.234 0.000 2.349 226 V HA 0.443 4.763 4.120 0.334 0.000 0.284 226 V C -1.344 174.585 176.094 -0.274 0.000 1.014 226 V CA -0.296 61.854 62.300 -0.251 0.000 0.826 226 V CB 1.215 32.835 31.823 -0.338 0.000 1.009 226 V HN 0.227 nan 8.190 nan 0.000 0.431 227 D N 5.779 126.038 120.400 -0.235 0.000 2.330 227 D HA 0.449 5.289 4.640 0.334 0.000 0.249 227 D C -0.492 175.704 176.300 -0.174 0.000 1.306 227 D CA -0.224 53.651 54.000 -0.208 0.000 0.956 227 D CB 1.061 41.739 40.800 -0.204 0.000 1.261 227 D HN 0.375 nan 8.370 nan 0.000 0.544 228 M N 0.363 119.851 119.600 -0.187 0.000 2.649 228 M HA 0.224 4.905 4.480 0.334 0.000 0.294 228 M C 1.966 178.183 176.300 -0.139 0.000 1.206 228 M CA -0.729 54.477 55.300 -0.156 0.000 0.928 228 M CB 1.628 34.121 32.600 -0.178 0.000 1.571 228 M HN 0.208 nan 8.290 nan 0.000 0.501 229 S N -0.943 114.691 115.700 -0.111 0.000 2.383 229 S HA -0.059 4.612 4.470 0.334 0.000 0.227 229 S C 0.942 175.462 174.600 -0.133 0.000 1.026 229 S CA 1.155 59.296 58.200 -0.098 0.000 0.981 229 S CB -0.967 62.197 63.200 -0.060 0.000 0.818 229 S HN 0.855 nan 8.310 nan 0.000 0.472 230 T N -0.684 113.797 114.554 -0.122 0.000 2.884 230 T HA 0.435 4.986 4.350 0.334 0.000 0.277 230 T C -0.279 174.370 174.700 -0.084 0.000 0.976 230 T CA -0.702 61.336 62.100 -0.102 0.000 0.956 230 T CB 0.454 69.294 68.868 -0.046 0.000 1.113 230 T HN 0.397 nan 8.240 nan 0.000 0.554 231 H N -0.607 118.400 119.070 -0.105 0.000 2.646 231 H HA 0.513 5.270 4.556 0.334 0.000 0.325 231 H C -0.878 174.425 175.328 -0.042 0.000 1.075 231 H CA -0.349 55.669 56.048 -0.050 0.000 1.421 231 H CB 0.234 30.035 29.762 0.065 0.000 1.461 231 H HN 0.451 nan 8.280 nan 0.000 0.525 232 V N 5.651 125.191 119.914 -0.624 0.000 2.427 232 V HA 0.374 4.695 4.120 0.334 0.000 0.286 232 V C -0.166 175.541 176.094 -0.644 0.000 1.034 232 V CA -0.138 61.846 62.300 -0.527 0.000 0.893 232 V CB 1.182 32.638 31.823 -0.612 0.000 0.982 232 V HN 1.004 nan 8.190 nan 0.000 0.452 233 S N 2.154 117.704 115.700 -0.249 0.000 2.599 233 S HA 0.628 5.299 4.470 0.334 0.000 0.287 233 S C -0.179 174.456 174.600 0.059 0.000 1.105 233 S CA -0.303 57.856 58.200 -0.068 0.000 0.899 233 S CB 1.836 65.127 63.200 0.152 0.000 1.100 233 S HN 1.028 nan 8.310 nan 0.000 0.482 234 S N 1.777 117.496 115.700 0.032 0.000 3.484 234 S HA -0.075 4.596 4.470 0.334 0.000 0.384 234 S C -2.288 172.272 174.600 -0.067 0.000 0.932 234 S CA 0.637 58.793 58.200 -0.073 0.000 1.293 234 S CB -1.772 61.485 63.200 0.096 0.000 0.919 234 S HN 0.813 nan 8.310 nan 0.000 0.540 235 P HA 0.515 nan 4.420 nan 0.000 0.279 235 P C -0.064 177.253 177.300 0.028 0.000 1.239 235 P CA -0.335 62.780 63.100 0.026 0.000 0.789 235 P CB 1.418 33.113 31.700 -0.008 0.000 0.933 236 V N 0.790 120.801 119.914 0.161 0.000 3.159 236 V HA 0.644 4.964 4.120 0.334 0.000 0.308 236 V C -0.655 175.582 176.094 0.238 0.000 1.190 236 V CA -1.163 61.241 62.300 0.172 0.000 1.037 236 V CB 2.250 34.173 31.823 0.166 0.000 1.060 236 V HN 0.330 nan 8.190 nan 0.000 0.437 237 I N 1.651 122.343 120.570 0.203 0.000 2.436 237 I HA 0.656 5.027 4.170 0.334 0.000 0.289 237 I C -1.113 175.107 176.117 0.171 0.000 1.010 237 I CA -0.882 60.544 61.300 0.209 0.000 1.098 237 I CB 2.163 40.245 38.000 0.136 0.000 1.266 237 I HN 0.479 nan 8.210 nan 0.000 0.434 238 V N 5.883 125.932 119.914 0.225 0.000 2.443 238 V HA 0.701 5.021 4.120 0.334 0.000 0.293 238 V C 0.708 176.907 176.094 0.174 0.000 1.021 238 V CA 0.098 62.469 62.300 0.120 0.000 0.848 238 V CB 0.836 32.629 31.823 -0.049 0.000 0.998 238 V HN 1.104 nan 8.190 nan 0.000 0.424 239 G N 4.522 113.389 108.800 0.111 0.000 2.565 239 G HA2 -0.297 3.864 3.960 0.334 0.000 0.295 239 G HA3 -0.297 3.864 3.960 0.334 0.000 0.295 239 G C 0.084 175.044 174.900 0.100 0.000 1.165 239 G CA 0.785 45.989 45.100 0.172 0.000 0.977 239 G HN 0.908 nan 8.290 nan 0.000 0.546 240 H N 1.573 120.714 119.070 0.118 0.000 2.528 240 H HA 0.559 5.315 4.556 0.334 0.000 0.256 240 H C 0.609 175.997 175.328 0.100 0.000 1.204 240 H CA -0.158 55.950 56.048 0.101 0.000 0.955 240 H CB 0.352 30.159 29.762 0.074 0.000 1.817 240 H HN 0.415 nan 8.280 nan 0.000 0.579 241 R N 0.640 121.251 120.500 0.186 0.000 2.673 241 R HA 0.471 5.011 4.340 0.334 0.000 0.281 241 R C -0.910 175.450 176.300 0.099 0.000 0.991 241 R CA -0.874 55.280 56.100 0.090 0.000 0.896 241 R CB 2.710 33.013 30.300 0.004 0.000 1.201 241 R HN 0.150 nan 8.270 nan 0.000 0.457 242 I N 3.144 123.727 120.570 0.021 0.000 2.315 242 I HA 0.271 4.641 4.170 0.334 0.000 0.291 242 I C -0.707 175.420 176.117 0.017 0.000 1.006 242 I CA -0.548 60.834 61.300 0.137 0.000 1.265 242 I CB 0.519 38.636 38.000 0.195 0.000 1.387 242 I HN 0.337 nan 8.210 nan 0.000 0.475 243 Y N 6.870 127.240 120.300 0.117 0.000 2.361 243 Y HA 0.647 5.397 4.550 0.334 0.000 0.332 243 Y C -0.031 175.911 175.900 0.070 0.000 1.101 243 Y CA -0.613 57.468 58.100 -0.031 0.000 1.137 243 Y CB 1.359 39.804 38.460 -0.026 0.000 1.207 243 Y HN 0.467 nan 8.280 nan 0.000 0.463 244 F N -0.557 119.486 119.950 0.156 0.000 2.877 244 F HA 0.778 5.506 4.527 0.334 0.000 0.319 244 F C -1.970 173.893 175.800 0.105 0.000 1.174 244 F CA -1.878 56.171 58.000 0.082 0.000 0.903 244 F CB 0.879 39.884 39.000 0.009 0.000 1.357 244 F HN 0.173 nan 8.300 nan 0.000 0.472 245 I N 0.785 121.593 120.570 0.397 0.000 2.603 245 I HA 0.726 5.096 4.170 0.334 0.000 0.300 245 I C -0.385 175.937 176.117 0.342 0.000 1.017 245 I CA -0.597 60.886 61.300 0.305 0.000 1.098 245 I CB 2.174 40.303 38.000 0.215 0.000 1.279 245 I HN 0.858 nan 8.210 nan 0.000 0.437 246 T N 1.923 116.658 114.554 0.301 0.000 2.827 246 T HA 0.205 4.756 4.350 0.334 0.000 0.328 246 T C -1.708 173.093 174.700 0.169 0.000 1.598 246 T CA -0.654 61.547 62.100 0.167 0.000 1.043 246 T CB 1.262 70.143 68.868 0.022 0.000 1.447 246 T HN 0.753 nan 8.240 nan 0.000 0.491 247 D N 2.236 122.712 120.400 0.127 0.000 2.772 247 D HA 0.168 5.009 4.640 0.334 0.000 0.272 247 D C 1.401 177.757 176.300 0.093 0.000 1.314 247 D CA -0.406 53.670 54.000 0.126 0.000 0.835 247 D CB -0.430 40.470 40.800 0.167 0.000 1.080 247 D HN 0.502 nan 8.370 nan 0.000 0.482 248 I N 0.112 120.685 120.570 0.006 0.000 2.423 248 I HA -0.226 4.144 4.170 0.334 0.000 0.254 248 I C 0.359 176.501 176.117 0.043 0.000 1.151 248 I CA 1.338 62.623 61.300 -0.024 0.000 1.421 248 I CB 0.341 38.255 38.000 -0.143 0.000 1.079 248 I HN -0.120 nan 8.210 nan 0.000 0.431 249 D N 0.292 120.759 120.400 0.112 0.000 2.340 249 D HA 0.206 5.046 4.640 0.334 0.000 0.217 249 D C 1.371 177.747 176.300 0.126 0.000 1.081 249 D CA 0.922 54.994 54.000 0.120 0.000 0.842 249 D CB 0.803 41.697 40.800 0.156 0.000 0.934 249 D HN 0.544 nan 8.370 nan 0.000 0.511 250 G N 0.470 109.357 108.800 0.145 0.000 2.201 250 G HA2 -0.206 3.954 3.960 0.334 0.000 0.212 250 G HA3 -0.206 3.954 3.960 0.334 0.000 0.212 250 G C 0.056 175.118 174.900 0.270 0.000 0.994 250 G CA -0.333 44.876 45.100 0.183 0.000 0.644 250 G HN 0.304 nan 8.290 nan 0.000 0.508 251 F N 0.440 120.388 119.950 -0.003 0.000 2.665 251 F HA 0.558 5.285 4.527 0.334 0.000 0.308 251 F C 0.466 176.046 175.800 -0.366 0.000 1.112 251 F CA -0.075 57.785 58.000 -0.232 0.000 0.972 251 F CB 1.188 40.089 39.000 -0.164 0.000 1.295 251 F HN 0.420 nan 8.300 nan 0.000 0.440 252 G N 4.082 112.165 108.800 -1.194 0.000 2.313 252 G HA2 0.460 4.620 3.960 0.334 0.000 0.250 252 G HA3 0.460 4.620 3.960 0.334 0.000 0.250 252 G C -1.180 173.747 174.900 0.045 0.000 1.281 252 G CA -0.108 44.714 45.100 -0.464 0.000 0.917 252 G HN 0.455 nan 8.290 nan 0.000 0.501 253 Q N 1.201 121.086 119.800 0.142 0.000 2.462 253 Q HA 0.337 4.878 4.340 0.334 0.000 0.285 253 Q C -0.547 175.426 176.000 -0.045 0.000 1.035 253 Q CA -0.783 55.023 55.803 0.005 0.000 0.799 253 Q CB 2.374 30.982 28.738 -0.217 0.000 1.452 253 Q HN 0.538 nan 8.270 nan 0.000 0.404 254 I N 1.832 122.222 120.570 -0.299 0.000 2.371 254 I HA 0.269 4.640 4.170 0.334 0.000 0.290 254 I C -0.675 175.214 176.117 -0.380 0.000 1.028 254 I CA -0.134 60.986 61.300 -0.300 0.000 1.345 254 I CB 0.262 37.940 38.000 -0.537 0.000 1.407 254 I HN 0.438 nan 8.210 nan 0.000 0.501 255 Y N 3.407 123.489 120.300 -0.364 0.000 2.693 255 Y HA 0.656 5.406 4.550 0.334 0.000 0.331 255 Y C 0.255 175.723 175.900 -0.720 0.000 1.092 255 Y CA -0.663 57.166 58.100 -0.452 0.000 1.131 255 Y CB 1.982 40.114 38.460 -0.547 0.000 1.318 255 Y HN 0.579 nan 8.280 nan 0.000 0.510 256 S N -0.774 114.674 115.700 -0.420 0.000 2.587 256 S HA 0.814 5.484 4.470 0.334 0.000 0.269 256 S C -1.060 173.422 174.600 -0.197 0.000 1.154 256 S CA -0.397 57.467 58.200 -0.560 0.000 0.824 256 S CB 1.688 64.327 63.200 -0.936 0.000 1.118 256 S HN 0.997 nan 8.310 nan 0.000 0.462 257 T N -1.520 112.978 114.554 -0.092 0.000 2.787 257 T HA 0.733 5.284 4.350 0.334 0.000 0.297 257 T C -1.211 173.491 174.700 0.003 0.000 1.221 257 T CA -0.556 61.558 62.100 0.022 0.000 1.006 257 T CB 0.812 69.757 68.868 0.128 0.000 1.328 257 T HN 0.832 nan 8.240 nan 0.000 0.509 258 D N 0.202 120.620 120.400 0.030 0.000 2.433 258 D HA 0.276 5.116 4.640 0.334 0.000 0.255 258 D C 1.229 177.566 176.300 0.062 0.000 1.226 258 D CA -1.035 52.996 54.000 0.051 0.000 1.015 258 D CB 0.203 41.035 40.800 0.052 0.000 1.091 258 D HN 0.479 nan 8.370 nan 0.000 0.527 259 L N -0.810 120.462 121.223 0.081 0.000 2.700 259 L HA -0.023 4.517 4.340 0.334 0.000 0.240 259 L C 1.110 178.010 176.870 0.049 0.000 1.162 259 L CA 0.786 55.670 54.840 0.073 0.000 0.874 259 L CB -0.425 41.689 42.059 0.092 0.000 1.001 259 L HN 0.493 nan 8.230 nan 0.000 0.447 260 D N -0.373 120.050 120.400 0.037 0.000 2.433 260 D HA 0.077 4.917 4.640 0.334 0.000 0.211 260 D C 1.471 177.770 176.300 -0.002 0.000 1.114 260 D CA 0.735 54.744 54.000 0.015 0.000 0.837 260 D CB 0.854 41.662 40.800 0.014 0.000 0.984 260 D HN 0.290 nan 8.370 nan 0.000 0.505 261 G N 1.666 110.473 108.800 0.011 0.000 2.162 261 G HA2 -0.247 3.914 3.960 0.334 0.000 0.260 261 G HA3 -0.247 3.914 3.960 0.334 0.000 0.260 261 G C 0.541 175.445 174.900 0.007 0.000 0.976 261 G CA 0.411 45.511 45.100 0.001 0.000 0.655 261 G HN 0.190 nan 8.290 nan 0.000 0.533 262 K N 0.135 120.541 120.400 0.010 0.000 2.240 262 K HA 0.525 5.046 4.320 0.334 0.000 0.237 262 K C 0.591 177.200 176.600 0.015 0.000 1.027 262 K CA -0.217 56.074 56.287 0.007 0.000 0.937 262 K CB 0.346 32.847 32.500 0.002 0.000 1.171 262 K HN 0.147 nan 8.250 nan 0.000 0.479 263 D N 0.637 121.042 120.400 0.008 0.000 2.699 263 D HA -0.177 4.664 4.640 0.334 0.000 0.239 263 D C -0.842 175.461 176.300 0.005 0.000 1.136 263 D CA 0.173 54.177 54.000 0.006 0.000 0.668 263 D CB -0.973 39.833 40.800 0.009 0.000 1.060 263 D HN 0.381 nan 8.370 nan 0.000 0.429 264 L N 0.874 122.107 121.223 0.015 0.000 2.559 264 L HA 0.248 4.788 4.340 0.334 0.000 0.274 264 L C 0.415 177.284 176.870 -0.002 0.000 1.205 264 L CA 0.890 55.749 54.840 0.032 0.000 0.907 264 L CB 0.304 42.396 42.059 0.054 0.000 1.153 264 L HN 0.196 nan 8.230 nan 0.000 0.490 265 R N 4.197 124.668 120.500 -0.048 0.000 2.750 265 R HA 0.470 5.010 4.340 0.334 0.000 0.281 265 R C -1.065 175.013 176.300 -0.370 0.000 0.972 265 R CA -1.025 54.942 56.100 -0.221 0.000 0.912 265 R CB 1.795 31.894 30.300 -0.334 0.000 1.187 265 R HN 0.524 nan 8.270 nan 0.000 0.464 266 K N 1.498 121.591 120.400 -0.512 0.000 2.265 266 K HA 0.232 4.752 4.320 0.334 0.000 0.267 266 K C -0.373 175.774 176.600 -0.754 0.000 0.994 266 K CA -0.380 55.446 56.287 -0.767 0.000 0.860 266 K CB 0.752 32.918 32.500 -0.556 0.000 1.099 266 K HN 0.682 nan 8.250 nan 0.000 0.448 267 H N 0.534 119.301 119.070 -0.504 0.000 2.622 267 H HA 0.083 4.839 4.556 0.334 0.000 0.269 267 H C -0.045 175.001 175.328 -0.469 0.000 0.977 267 H CA 0.309 56.138 56.048 -0.365 0.000 1.179 267 H CB 0.978 30.530 29.762 -0.349 0.000 1.458 267 H HN 0.632 nan 8.280 nan 0.000 0.531 268 T N -2.796 111.428 114.554 -0.550 0.000 2.896 268 T HA 0.564 5.115 4.350 0.334 0.000 0.297 268 T C 0.029 174.330 174.700 -0.664 0.000 1.108 268 T CA -0.989 60.662 62.100 -0.747 0.000 1.004 268 T CB 2.166 70.272 68.868 -1.269 0.000 1.159 268 T HN -0.086 nan 8.240 nan 0.000 0.499 269 S N 0.839 116.131 115.700 -0.680 0.000 2.526 269 S HA 0.380 5.050 4.470 0.334 0.000 0.220 269 S C -0.504 173.888 174.600 -0.347 0.000 1.159 269 S CA -0.776 57.175 58.200 -0.415 0.000 1.196 269 S CB -0.589 62.449 63.200 -0.271 0.000 1.225 269 S HN 0.608 nan 8.310 nan 0.000 0.432 270 F N 1.833 121.678 119.950 -0.175 0.000 2.506 270 F HA 0.212 4.939 4.527 0.334 0.000 0.351 270 F C 1.969 177.429 175.800 -0.566 0.000 1.136 270 F CA 0.162 58.040 58.000 -0.203 0.000 1.298 270 F CB 0.787 39.779 39.000 -0.013 0.000 1.145 270 F HN 0.297 nan 8.300 nan 0.000 0.593 271 T N -4.236 110.079 114.554 -0.399 0.000 3.046 271 T HA 0.031 4.582 4.350 0.334 0.000 0.270 271 T C 0.733 175.084 174.700 -0.582 0.000 0.920 271 T CA 0.167 61.761 62.100 -0.842 0.000 0.874 271 T CB -0.132 68.474 68.868 -0.437 0.000 1.214 271 T HN 0.542 nan 8.240 nan 0.000 0.536 272 D N 1.103 121.364 120.400 -0.232 0.000 2.154 272 D HA 0.099 4.939 4.640 0.334 0.000 0.211 272 D C 0.041 176.173 176.300 -0.280 0.000 0.977 272 D CA 0.831 54.675 54.000 -0.259 0.000 0.869 272 D CB -0.359 40.349 40.800 -0.153 0.000 1.022 272 D HN 0.541 nan 8.370 nan 0.000 0.461 273 Y N -1.892 118.623 120.300 0.357 0.000 2.553 273 Y HA 0.406 5.156 4.550 0.334 0.000 0.347 273 Y C -0.771 175.401 175.900 0.452 0.000 1.019 273 Y CA -1.529 56.815 58.100 0.407 0.000 1.032 273 Y CB 1.203 39.769 38.460 0.178 0.000 1.284 273 Y HN -0.211 nan 8.280 nan 0.000 0.466 274 Y N 3.889 124.330 120.300 0.235 0.000 2.511 274 Y HA 0.155 4.905 4.550 0.334 0.000 0.332 274 Y C -1.986 173.982 175.900 0.114 0.000 1.177 274 Y CA -2.389 55.745 58.100 0.058 0.000 1.422 274 Y CB 0.098 38.529 38.460 -0.049 0.000 1.271 274 Y HN 0.224 nan 8.280 nan 0.000 0.550 275 P HA 0.276 nan 4.420 nan 0.000 0.274 275 P C -0.655 176.795 177.300 0.250 0.000 1.231 275 P CA -0.289 62.878 63.100 0.112 0.000 0.790 275 P CB 1.306 32.939 31.700 -0.111 0.000 0.951 276 R N 0.493 121.196 120.500 0.339 0.000 2.680 276 R HA 0.267 4.808 4.340 0.334 0.000 0.269 276 R C -0.543 176.034 176.300 0.463 0.000 1.026 276 R CA -0.953 55.364 56.100 0.362 0.000 0.889 276 R CB 0.074 30.573 30.300 0.331 0.000 1.241 276 R HN 0.764 nan 8.270 nan 0.000 0.463 277 H N 0.558 119.805 119.070 0.295 0.000 2.765 277 H HA -0.139 4.618 4.556 0.334 0.000 0.332 277 H C -0.764 174.751 175.328 0.311 0.000 1.180 277 H CA 0.241 56.469 56.048 0.300 0.000 1.142 277 H CB -0.921 29.015 29.762 0.290 0.000 1.576 277 H HN 0.385 nan 8.280 nan 0.000 0.420 278 L N 1.678 123.051 121.223 0.251 0.000 2.439 278 L HA 0.238 4.779 4.340 0.334 0.000 0.269 278 L C 0.910 177.884 176.870 0.174 0.000 1.179 278 L CA 0.531 55.522 54.840 0.251 0.000 0.828 278 L CB 0.876 43.046 42.059 0.185 0.000 1.106 278 L HN 0.607 nan 8.230 nan 0.000 0.467 279 N N -0.212 118.628 118.700 0.234 0.000 2.591 279 N HA 0.537 5.478 4.740 0.334 0.000 0.263 279 N C -1.386 174.255 175.510 0.217 0.000 1.308 279 N CA -0.524 52.656 53.050 0.216 0.000 0.837 279 N CB 2.550 41.196 38.487 0.264 0.000 1.548 279 N HN 0.516 nan 8.380 nan 0.000 0.493 280 T N -0.863 113.810 114.554 0.198 0.000 2.868 280 T HA 0.252 4.803 4.350 0.334 0.000 0.306 280 T C -1.369 173.415 174.700 0.140 0.000 1.224 280 T CA -0.540 61.651 62.100 0.151 0.000 1.012 280 T CB 1.073 70.005 68.868 0.107 0.000 1.221 280 T HN 0.664 nan 8.240 nan 0.000 0.499 281 D N 0.199 120.644 120.400 0.075 0.000 2.431 281 D HA 0.324 5.165 4.640 0.334 0.000 0.213 281 D C 1.367 177.663 176.300 -0.006 0.000 1.130 281 D CA 0.657 54.670 54.000 0.022 0.000 0.834 281 D CB 0.047 40.783 40.800 -0.107 0.000 0.985 281 D HN 1.071 nan 8.370 nan 0.000 0.504 282 G N 0.753 109.565 108.800 0.020 0.000 2.232 282 G HA2 -0.336 3.824 3.960 0.334 0.000 0.226 282 G HA3 -0.336 3.824 3.960 0.334 0.000 0.226 282 G C 1.153 176.045 174.900 -0.013 0.000 0.996 282 G CA 0.263 45.372 45.100 0.015 0.000 0.626 282 G HN 0.481 nan 8.290 nan 0.000 0.509 283 R N -0.267 120.210 120.500 -0.039 0.000 2.197 283 R HA 0.400 4.940 4.340 0.334 0.000 0.188 283 R C 0.936 177.184 176.300 -0.087 0.000 1.015 283 R CA 0.259 56.322 56.100 -0.060 0.000 1.132 283 R CB 0.468 30.729 30.300 -0.066 0.000 1.134 283 R HN 0.352 nan 8.270 nan 0.000 0.560 284 R N 0.018 120.481 120.500 -0.062 0.000 2.787 284 R HA 0.495 5.035 4.340 0.334 0.000 0.271 284 R C -0.883 175.427 176.300 0.017 0.000 0.993 284 R CA -0.648 55.419 56.100 -0.055 0.000 0.993 284 R CB 2.133 32.418 30.300 -0.025 0.000 1.155 284 R HN 0.050 nan 8.270 nan 0.000 0.486 285 I N 2.217 122.832 120.570 0.076 0.000 2.404 285 I HA 0.288 4.658 4.170 0.334 0.000 0.293 285 I C -1.046 175.268 176.117 0.327 0.000 0.992 285 I CA -0.975 60.447 61.300 0.202 0.000 1.149 285 I CB 1.753 39.902 38.000 0.248 0.000 1.315 285 I HN 0.235 nan 8.210 nan 0.000 0.446 286 L N 8.357 129.772 121.223 0.321 0.000 2.331 286 L HA 0.738 5.278 4.340 0.334 0.000 0.275 286 L C -0.982 176.154 176.870 0.443 0.000 1.022 286 L CA -0.218 54.809 54.840 0.312 0.000 0.812 286 L CB 1.405 43.617 42.059 0.255 0.000 1.257 286 L HN 0.510 nan 8.230 nan 0.000 0.435 287 F N 0.729 120.831 119.950 0.253 0.000 2.741 287 F HA 0.818 5.545 4.527 0.334 0.000 0.313 287 F C -1.024 174.917 175.800 0.236 0.000 1.153 287 F CA -0.687 57.464 58.000 0.252 0.000 0.931 287 F CB 0.989 40.119 39.000 0.217 0.000 1.335 287 F HN 0.517 nan 8.300 nan 0.000 0.460 288 S N 1.038 116.951 115.700 0.355 0.000 2.537 288 S HA 0.790 5.461 4.470 0.334 0.000 0.301 288 S C -1.208 173.568 174.600 0.292 0.000 1.092 288 S CA -0.773 57.541 58.200 0.190 0.000 1.048 288 S CB 1.993 65.275 63.200 0.137 0.000 1.053 288 S HN 1.016 nan 8.310 nan 0.000 0.501 289 K N 0.643 121.163 120.400 0.199 0.000 2.571 289 K HA 0.478 4.998 4.320 0.334 0.000 0.252 289 K C 0.361 177.001 176.600 0.066 0.000 0.956 289 K CA 0.024 56.407 56.287 0.160 0.000 0.822 289 K CB 0.875 33.385 32.500 0.017 0.000 1.286 289 K HN 1.416 nan 8.250 nan 0.000 0.439 290 G N 2.586 111.325 108.800 -0.102 0.000 2.390 290 G HA2 -0.210 3.950 3.960 0.334 0.000 0.299 290 G HA3 -0.210 3.950 3.960 0.334 0.000 0.299 290 G C 0.805 175.458 174.900 -0.413 0.000 1.002 290 G CA 1.036 45.745 45.100 -0.651 0.000 0.979 290 G HN 1.604 nan 8.290 nan 0.000 0.513 291 G N -2.535 106.131 108.800 -0.222 0.000 2.176 291 G HA2 -0.072 4.088 3.960 0.334 0.000 0.253 291 G HA3 -0.072 4.088 3.960 0.334 0.000 0.253 291 G C 0.448 175.229 174.900 -0.198 0.000 0.979 291 G CA 0.834 45.820 45.100 -0.191 0.000 0.641 291 G HN 1.687 nan 8.290 nan 0.000 0.530 292 S N 0.144 115.746 115.700 -0.164 0.000 2.621 292 S HA 0.789 5.459 4.470 0.334 0.000 0.302 292 S C -0.032 174.383 174.600 -0.308 0.000 1.093 292 S CA -0.720 57.306 58.200 -0.291 0.000 1.017 292 S CB 1.461 64.441 63.200 -0.367 0.000 1.077 292 S HN 0.286 nan 8.310 nan 0.000 0.517 293 I N 2.750 123.022 120.570 -0.498 0.000 2.336 293 I HA 0.407 4.777 4.170 0.334 0.000 0.292 293 I C -0.926 174.844 176.117 -0.578 0.000 0.991 293 I CA -0.405 60.641 61.300 -0.424 0.000 1.227 293 I CB 0.338 38.076 38.000 -0.436 0.000 1.366 293 I HN 0.591 nan 8.210 nan 0.000 0.466 294 Y N 5.562 125.510 120.300 -0.586 0.000 2.562 294 Y HA 0.624 5.374 4.550 0.334 0.000 0.343 294 Y C 0.156 175.786 175.900 -0.450 0.000 1.025 294 Y CA -0.808 56.927 58.100 -0.608 0.000 1.082 294 Y CB 2.147 40.018 38.460 -0.981 0.000 1.264 294 Y HN 0.296 nan 8.280 nan 0.000 0.478 295 I N 2.238 122.841 120.570 0.055 0.000 2.465 295 I HA 0.261 4.631 4.170 0.334 0.000 0.291 295 I C -1.448 174.892 176.117 0.372 0.000 1.014 295 I CA -0.766 60.642 61.300 0.180 0.000 1.093 295 I CB 1.767 39.831 38.000 0.106 0.000 1.267 295 I HN 0.410 nan 8.210 nan 0.000 0.431 296 F N 6.176 126.295 119.950 0.283 0.000 2.426 296 F HA 0.464 5.192 4.527 0.334 0.000 0.348 296 F C -0.659 175.176 175.800 0.059 0.000 1.124 296 F CA -0.845 57.289 58.000 0.223 0.000 1.008 296 F CB 0.965 40.112 39.000 0.246 0.000 1.139 296 F HN 0.352 nan 8.300 nan 0.000 0.452 297 N N 8.631 126.958 118.700 -0.622 0.000 2.500 297 N HA 0.319 5.259 4.740 0.334 0.000 0.236 297 N C -2.261 172.669 175.510 -0.967 0.000 1.022 297 N CA -1.475 51.223 53.050 -0.586 0.000 0.935 297 N CB 1.284 39.603 38.487 -0.280 0.000 1.147 297 N HN 0.341 nan 8.380 nan 0.000 0.512 298 P HA -0.152 nan 4.420 nan 0.000 0.218 298 P C 0.389 177.506 177.300 -0.305 0.000 1.148 298 P CA 1.102 63.792 63.100 -0.683 0.000 0.822 298 P CB 0.370 31.780 31.700 -0.484 0.000 0.784 299 D N -1.395 118.861 120.400 -0.240 0.000 2.084 299 D HA -0.091 4.749 4.640 0.334 0.000 0.194 299 D C 1.689 177.932 176.300 -0.095 0.000 0.990 299 D CA 1.562 55.492 54.000 -0.117 0.000 0.826 299 D CB -0.927 39.816 40.800 -0.095 0.000 0.971 299 D HN 0.150 nan 8.370 nan 0.000 0.453 300 T N -0.647 113.825 114.554 -0.136 0.000 3.037 300 T HA 0.029 4.580 4.350 0.334 0.000 0.251 300 T C 0.832 175.493 174.700 -0.064 0.000 1.079 300 T CA 0.450 62.502 62.100 -0.080 0.000 1.067 300 T CB 0.649 69.476 68.868 -0.067 0.000 0.948 300 T HN 0.281 nan 8.240 nan 0.000 0.496 301 E N 0.495 120.592 120.200 -0.170 0.000 3.628 301 E HA -0.211 4.339 4.350 0.334 0.000 0.309 301 E C 0.189 176.854 176.600 0.108 0.000 0.839 301 E CA 0.539 56.932 56.400 -0.012 0.000 1.123 301 E CB -0.817 28.993 29.700 0.183 0.000 1.568 301 E HN 0.474 nan 8.360 nan 0.000 0.440 302 K N 1.027 121.420 120.400 -0.013 0.000 2.218 302 K HA 0.425 4.945 4.320 0.334 0.000 0.276 302 K C -0.283 176.418 176.600 0.169 0.000 1.022 302 K CA -0.294 56.040 56.287 0.077 0.000 0.946 302 K CB 0.612 33.130 32.500 0.030 0.000 1.000 302 K HN 0.159 nan 8.250 nan 0.000 0.468 303 I N 4.370 125.095 120.570 0.258 0.000 2.389 303 I HA 0.162 4.533 4.170 0.334 0.000 0.288 303 I C -0.465 175.832 176.117 0.299 0.000 0.999 303 I CA -0.613 60.913 61.300 0.377 0.000 1.129 303 I CB 1.719 40.000 38.000 0.468 0.000 1.288 303 I HN 0.699 nan 8.210 nan 0.000 0.444 304 E N 6.374 126.737 120.200 0.271 0.000 2.222 304 E HA 0.435 4.985 4.350 0.334 0.000 0.267 304 E C -1.100 175.585 176.600 0.141 0.000 0.884 304 E CA -1.144 55.365 56.400 0.182 0.000 0.764 304 E CB 2.494 32.250 29.700 0.093 0.000 1.169 304 E HN 0.358 nan 8.360 nan 0.000 0.413 305 K N 3.946 124.363 120.400 0.029 0.000 2.234 305 K HA 0.283 4.804 4.320 0.334 0.000 0.282 305 K C -0.717 175.714 176.600 -0.281 0.000 1.039 305 K CA -0.572 55.510 56.287 -0.343 0.000 0.928 305 K CB 0.679 32.938 32.500 -0.401 0.000 1.039 305 K HN 0.573 nan 8.250 nan 0.000 0.470 306 I N 4.194 124.541 120.570 -0.372 0.000 2.371 306 I HA 0.067 4.437 4.170 0.334 0.000 0.290 306 I C 0.261 176.177 176.117 -0.335 0.000 1.028 306 I CA -0.448 60.682 61.300 -0.283 0.000 1.345 306 I CB 1.149 38.975 38.000 -0.290 0.000 1.407 306 I HN 0.452 nan 8.210 nan 0.000 0.501 307 E N 7.171 127.234 120.200 -0.228 0.000 2.129 307 E HA 0.236 4.786 4.350 0.334 0.000 0.283 307 E C 0.551 177.003 176.600 -0.247 0.000 1.080 307 E CA 0.138 56.417 56.400 -0.202 0.000 0.867 307 E CB 1.511 31.153 29.700 -0.097 0.000 1.056 307 E HN 0.596 nan 8.360 nan 0.000 0.404 308 I N 0.954 121.337 120.570 -0.312 0.000 3.718 308 I HA 0.131 4.501 4.170 0.334 0.000 0.297 308 I C 1.136 177.157 176.117 -0.159 0.000 1.220 308 I CA 0.492 61.606 61.300 -0.311 0.000 1.381 308 I CB 0.267 37.973 38.000 -0.491 0.000 1.238 308 I HN 0.645 nan 8.210 nan 0.000 0.448 309 G N 1.688 110.386 108.800 -0.171 0.000 2.725 309 G HA2 -0.201 3.959 3.960 0.334 0.000 0.220 309 G HA3 -0.201 3.959 3.960 0.334 0.000 0.220 309 G C -0.962 173.862 174.900 -0.127 0.000 1.357 309 G CA -0.722 44.308 45.100 -0.117 0.000 0.866 309 G HN 0.200 nan 8.290 nan 0.000 0.548 310 D N 0.504 120.851 120.400 -0.089 0.000 2.382 310 D HA 0.375 5.215 4.640 0.334 0.000 0.259 310 D C 1.179 177.428 176.300 -0.085 0.000 1.224 310 D CA -0.243 53.706 54.000 -0.086 0.000 0.894 310 D CB 1.282 42.051 40.800 -0.052 0.000 1.127 310 D HN 0.255 nan 8.370 nan 0.000 0.487 311 L N 1.873 123.004 121.223 -0.154 0.000 2.349 311 L HA 0.254 4.795 4.340 0.334 0.000 0.200 311 L C 0.730 177.584 176.870 -0.027 0.000 1.064 311 L CA 0.963 55.672 54.840 -0.218 0.000 0.821 311 L CB -0.348 41.277 42.059 -0.724 0.000 1.027 311 L HN 0.473 nan 8.230 nan 0.000 0.476 312 E N -1.425 118.762 120.200 -0.022 0.000 2.335 312 E HA 0.368 4.918 4.350 0.334 0.000 0.280 312 E C -1.353 175.278 176.600 0.052 0.000 0.918 312 E CA -0.117 56.341 56.400 0.096 0.000 0.765 312 E CB 1.757 31.602 29.700 0.240 0.000 1.218 312 E HN -0.154 nan 8.360 nan 0.000 0.425 313 S N 4.882 120.613 115.700 0.052 0.000 2.539 313 S HA 0.386 5.057 4.470 0.334 0.000 0.235 313 S C -2.336 172.281 174.600 0.029 0.000 1.326 313 S CA -1.009 57.206 58.200 0.026 0.000 1.183 313 S CB 0.746 63.949 63.200 0.005 0.000 1.073 313 S HN 0.452 nan 8.310 nan 0.000 0.480 314 P HA 0.279 nan 4.420 nan 0.000 0.274 314 P C -0.351 176.951 177.300 0.003 0.000 1.246 314 P CA -0.465 62.650 63.100 0.025 0.000 0.795 314 P CB 0.464 32.184 31.700 0.034 0.000 1.006 315 E N 0.480 120.680 120.200 -0.001 0.000 2.558 315 E HA -0.124 4.426 4.350 0.334 0.000 0.255 315 E C 0.631 177.214 176.600 -0.028 0.000 0.968 315 E CA 0.578 56.972 56.400 -0.011 0.000 0.939 315 E CB -0.118 29.576 29.700 -0.010 0.000 0.921 315 E HN 0.409 nan 8.360 nan 0.000 0.477 316 D N 3.546 123.932 120.400 -0.023 0.000 2.162 316 D HA -0.109 4.731 4.640 0.334 0.000 0.203 316 D C 0.418 176.678 176.300 -0.067 0.000 0.967 316 D CA 0.558 54.536 54.000 -0.036 0.000 0.840 316 D CB 0.200 41.030 40.800 0.050 0.000 0.972 316 D HN 0.350 nan 8.370 nan 0.000 0.482 317 R N 0.845 121.319 120.500 -0.044 0.000 2.288 317 R HA 0.263 4.803 4.340 0.334 0.000 0.330 317 R C -0.191 176.077 176.300 -0.055 0.000 1.069 317 R CA -0.197 55.870 56.100 -0.054 0.000 0.941 317 R CB -0.074 30.207 30.300 -0.032 0.000 0.998 317 R HN 0.298 nan 8.270 nan 0.000 0.452 318 I N 1.164 121.691 120.570 -0.072 0.000 2.910 318 I HA 0.546 4.917 4.170 0.334 0.000 0.310 318 I C -0.665 175.425 176.117 -0.044 0.000 1.043 318 I CA -1.255 60.010 61.300 -0.059 0.000 1.053 318 I CB 1.916 39.869 38.000 -0.078 0.000 1.242 318 I HN 0.434 nan 8.210 nan 0.000 0.452 319 I N 2.533 123.088 120.570 -0.024 0.000 2.433 319 I HA 0.418 4.789 4.170 0.334 0.000 0.292 319 I C -0.419 175.707 176.117 0.015 0.000 1.001 319 I CA -0.187 61.110 61.300 -0.006 0.000 1.119 319 I CB 2.093 40.093 38.000 0.001 0.000 1.289 319 I HN 0.677 nan 8.210 nan 0.000 0.438 320 S N 5.934 121.655 115.700 0.035 0.000 2.599 320 S HA 0.609 5.279 4.470 0.334 0.000 0.294 320 S C -0.388 174.299 174.600 0.145 0.000 1.094 320 S CA -0.661 57.607 58.200 0.113 0.000 0.931 320 S CB 2.073 65.316 63.200 0.072 0.000 1.093 320 S HN 0.346 nan 8.310 nan 0.000 0.488 321 I N 3.763 124.454 120.570 0.202 0.000 2.337 321 I HA 0.193 4.564 4.170 0.334 0.000 0.291 321 I C -1.367 174.845 176.117 0.158 0.000 1.046 321 I CA -2.062 59.303 61.300 0.109 0.000 1.324 321 I CB 1.108 39.131 38.000 0.038 0.000 1.409 321 I HN 0.457 nan 8.210 nan 0.000 0.494 322 P HA -0.204 nan 4.420 nan 0.000 0.216 322 P C 1.516 178.871 177.300 0.091 0.000 1.153 322 P CA 1.456 64.646 63.100 0.151 0.000 0.858 322 P CB 0.037 31.791 31.700 0.090 0.000 0.789 323 S N -0.201 115.467 115.700 -0.054 0.000 2.419 323 S HA -0.115 4.555 4.470 0.334 0.000 0.233 323 S C 1.845 176.366 174.600 -0.133 0.000 1.016 323 S CA 0.840 58.970 58.200 -0.117 0.000 0.974 323 S CB -0.913 62.193 63.200 -0.158 0.000 0.786 323 S HN 0.119 nan 8.310 nan 0.000 0.492 324 K N 0.307 120.580 120.400 -0.211 0.000 2.362 324 K HA 0.070 4.590 4.320 0.334 0.000 0.200 324 K C 0.134 176.202 176.600 -0.885 0.000 1.046 324 K CA 0.830 56.781 56.287 -0.559 0.000 0.952 324 K CB -0.213 31.832 32.500 -0.758 0.000 0.753 324 K HN 0.617 nan 8.250 nan 0.000 0.466 325 F N -0.191 119.795 119.950 0.059 0.000 2.817 325 F HA 0.312 5.039 4.527 0.333 0.000 0.319 325 F C 0.531 176.400 175.800 0.115 0.000 1.136 325 F CA -0.819 57.228 58.000 0.077 0.000 1.177 325 F CB 0.118 39.161 39.000 0.072 0.000 1.088 325 F HN -0.239 nan 8.300 nan 0.000 0.520 326 A N 1.077 124.014 122.820 0.194 0.000 2.520 326 A HA 0.439 4.959 4.320 0.334 0.000 0.235 326 A C 0.229 177.949 177.584 0.227 0.000 1.065 326 A CA 0.542 52.726 52.037 0.244 0.000 0.764 326 A CB 0.187 19.264 19.000 0.128 0.000 1.002 326 A HN 0.524 nan 8.150 nan 0.000 0.502 327 E N -0.151 120.216 120.200 0.277 0.000 2.445 327 E HA 0.347 4.897 4.350 0.334 0.000 0.279 327 E C -1.522 175.235 176.600 0.261 0.000 1.018 327 E CA -1.089 55.441 56.400 0.218 0.000 0.816 327 E CB 1.148 30.930 29.700 0.136 0.000 1.356 327 E HN 0.700 nan 8.360 nan 0.000 0.462 328 D N 1.406 121.917 120.400 0.187 0.000 4.755 328 D HA -0.208 4.632 4.640 0.334 0.000 0.197 328 D C -1.423 175.016 176.300 0.231 0.000 1.031 328 D CA 0.948 55.027 54.000 0.132 0.000 1.058 328 D CB -0.522 40.369 40.800 0.152 0.000 0.992 328 D HN 0.351 nan 8.370 nan 0.000 0.549 329 F N 0.863 120.924 119.950 0.185 0.000 2.469 329 F HA 0.766 5.495 4.527 0.336 0.000 0.332 329 F C -0.108 175.785 175.800 0.155 0.000 1.103 329 F CA -1.064 57.053 58.000 0.195 0.000 0.979 329 F CB 2.008 41.083 39.000 0.125 0.000 1.137 329 F HN 0.068 nan 8.300 nan 0.000 0.463 330 S N 3.003 118.869 115.700 0.277 0.000 2.541 330 S HA 0.614 5.284 4.470 0.334 0.000 0.271 330 S C -3.060 171.653 174.600 0.189 0.000 1.133 330 S CA -1.394 56.900 58.200 0.156 0.000 0.876 330 S CB 2.287 65.544 63.200 0.096 0.000 1.105 330 S HN 0.606 nan 8.310 nan 0.000 0.470 331 P HA 0.431 nan 4.420 nan 0.000 0.285 331 P C -1.161 176.206 177.300 0.111 0.000 1.259 331 P CA -0.423 62.751 63.100 0.124 0.000 0.794 331 P CB 0.722 32.477 31.700 0.092 0.000 0.940 332 L N 1.577 122.867 121.223 0.111 0.000 2.279 332 L HA 0.472 5.012 4.340 0.334 0.000 0.262 332 L C 0.527 177.468 176.870 0.118 0.000 1.019 332 L CA -1.209 53.706 54.840 0.126 0.000 0.823 332 L CB 1.028 43.167 42.059 0.133 0.000 1.358 332 L HN 0.208 nan 8.230 nan 0.000 0.432 333 D N 0.445 120.929 120.400 0.139 0.000 2.362 333 D HA 0.247 5.088 4.640 0.334 0.000 0.238 333 D C 1.006 177.375 176.300 0.116 0.000 1.212 333 D CA 1.210 55.278 54.000 0.113 0.000 0.902 333 D CB 0.511 41.374 40.800 0.105 0.000 1.180 333 D HN 0.819 nan 8.370 nan 0.000 0.445 334 G N 1.013 109.863 108.800 0.084 0.000 2.225 334 G HA2 -0.348 3.813 3.960 0.334 0.000 0.267 334 G HA3 -0.348 3.813 3.960 0.334 0.000 0.267 334 G C 0.504 175.442 174.900 0.064 0.000 1.024 334 G CA 0.746 45.889 45.100 0.073 0.000 0.784 334 G HN 0.762 nan 8.290 nan 0.000 0.507 335 D N -2.221 118.216 120.400 0.063 0.000 3.059 335 D HA -0.182 4.659 4.640 0.334 0.000 0.220 335 D C 0.817 177.155 176.300 0.063 0.000 1.169 335 D CA 1.600 55.635 54.000 0.059 0.000 0.902 335 D CB -1.224 39.607 40.800 0.052 0.000 1.116 335 D HN 0.793 nan 8.370 nan 0.000 0.417 336 L N -0.201 121.061 121.223 0.066 0.000 2.431 336 L HA 0.594 5.134 4.340 0.334 0.000 0.260 336 L C 1.029 177.942 176.870 0.072 0.000 1.098 336 L CA -0.820 54.051 54.840 0.052 0.000 0.800 336 L CB 1.026 43.085 42.059 0.000 0.000 1.210 336 L HN -0.062 nan 8.230 nan 0.000 0.465 337 I N 0.143 120.765 120.570 0.085 0.000 2.828 337 I HA 0.626 4.996 4.170 0.334 0.000 0.302 337 I C -0.539 175.684 176.117 0.177 0.000 1.101 337 I CA -0.678 60.709 61.300 0.146 0.000 1.031 337 I CB 2.196 40.300 38.000 0.173 0.000 1.231 337 I HN 0.571 nan 8.210 nan 0.000 0.427 338 A N 4.357 127.313 122.820 0.227 0.000 2.355 338 A HA 0.921 5.441 4.320 0.334 0.000 0.317 338 A C -1.170 176.642 177.584 0.380 0.000 1.094 338 A CA -0.375 51.801 52.037 0.231 0.000 0.764 338 A CB 1.136 20.239 19.000 0.172 0.000 1.230 338 A HN 0.657 nan 8.150 nan 0.000 0.448 339 F N 0.597 120.668 119.950 0.201 0.000 2.641 339 F HA 0.703 5.430 4.527 0.333 0.000 0.308 339 F C -1.609 174.340 175.800 0.248 0.000 1.105 339 F CA -1.054 57.081 58.000 0.225 0.000 0.964 339 F CB 0.992 40.122 39.000 0.217 0.000 1.294 339 F HN 0.365 nan 8.300 nan 0.000 0.442 340 V N 2.459 122.517 119.914 0.240 0.000 2.483 340 V HA 0.764 5.085 4.120 0.334 0.000 0.295 340 V C -0.556 175.703 176.094 0.274 0.000 1.035 340 V CA -0.452 61.910 62.300 0.103 0.000 0.896 340 V CB 1.472 33.334 31.823 0.065 0.000 0.986 340 V HN 0.933 nan 8.190 nan 0.000 0.447 341 S N 4.033 119.871 115.700 0.230 0.000 2.649 341 S HA 0.518 5.189 4.470 0.334 0.000 0.274 341 S C -0.026 174.714 174.600 0.232 0.000 1.176 341 S CA -0.685 57.714 58.200 0.330 0.000 0.988 341 S CB 0.684 64.188 63.200 0.506 0.000 1.071 341 S HN 0.805 nan 8.310 nan 0.000 0.478 342 R N 3.017 123.632 120.500 0.192 0.000 3.525 342 R HA -0.201 4.339 4.340 0.334 0.000 0.276 342 R C 0.942 177.241 176.300 -0.001 0.000 1.116 342 R CA 1.274 57.408 56.100 0.056 0.000 0.745 342 R CB -1.812 28.462 30.300 -0.043 0.000 1.185 342 R HN 1.919 nan 8.270 nan 0.000 0.454 343 G N -1.099 107.698 108.800 -0.005 0.000 2.162 343 G HA2 -0.353 3.807 3.960 0.334 0.000 0.260 343 G HA3 -0.353 3.807 3.960 0.334 0.000 0.260 343 G C -0.069 174.767 174.900 -0.107 0.000 0.976 343 G CA 0.785 45.847 45.100 -0.064 0.000 0.655 343 G HN 0.519 nan 8.290 nan 0.000 0.533 344 Q N -0.450 119.292 119.800 -0.096 0.000 2.348 344 Q HA 0.762 5.302 4.340 0.334 0.000 0.271 344 Q C -0.107 175.655 176.000 -0.397 0.000 1.067 344 Q CA -0.171 55.472 55.803 -0.267 0.000 0.839 344 Q CB 2.202 30.829 28.738 -0.186 0.000 1.354 344 Q HN 0.772 nan 8.270 nan 0.000 0.447 345 A N 1.568 123.932 122.820 -0.760 0.000 2.374 345 A HA 0.873 5.393 4.320 0.334 0.000 0.317 345 A C -1.500 175.408 177.584 -1.127 0.000 1.094 345 A CA -0.421 51.207 52.037 -0.682 0.000 0.765 345 A CB 0.822 19.570 19.000 -0.419 0.000 1.268 345 A HN 0.566 nan 8.150 nan 0.000 0.438 346 F N 0.249 119.908 119.950 -0.484 0.000 2.599 346 F HA 0.683 5.410 4.527 0.333 0.000 0.311 346 F C -0.615 175.075 175.800 -0.183 0.000 1.076 346 F CA -0.702 57.078 58.000 -0.366 0.000 0.937 346 F CB 1.974 40.669 39.000 -0.508 0.000 1.282 346 F HN 0.264 nan 8.300 nan 0.000 0.460 347 I N 2.001 122.626 120.570 0.092 0.000 2.436 347 I HA 0.517 4.887 4.170 0.334 0.000 0.289 347 I C -0.757 175.405 176.117 0.075 0.000 1.010 347 I CA -0.482 60.819 61.300 0.001 0.000 1.098 347 I CB 1.809 39.677 38.000 -0.221 0.000 1.266 347 I HN 0.699 nan 8.210 nan 0.000 0.434 348 Q N 4.605 124.468 119.800 0.104 0.000 2.575 348 Q HA 0.497 5.037 4.340 0.334 0.000 0.290 348 Q C -1.804 174.267 176.000 0.118 0.000 0.963 348 Q CA -1.105 54.784 55.803 0.142 0.000 0.783 348 Q CB 1.987 30.851 28.738 0.210 0.000 1.467 348 Q HN 0.544 nan 8.270 nan 0.000 0.402 349 D N 0.602 121.089 120.400 0.144 0.000 2.377 349 D HA 0.040 4.881 4.640 0.334 0.000 0.245 349 D C 1.406 177.764 176.300 0.097 0.000 1.196 349 D CA 0.060 54.136 54.000 0.128 0.000 0.962 349 D CB 1.370 42.290 40.800 0.200 0.000 1.127 349 D HN 0.622 nan 8.370 nan 0.000 0.471 350 V N -0.702 119.256 119.914 0.074 0.000 2.392 350 V HA -0.243 4.077 4.120 0.334 0.000 0.249 350 V C 2.120 178.219 176.094 0.008 0.000 1.059 350 V CA 2.441 64.763 62.300 0.036 0.000 1.051 350 V CB -1.452 30.394 31.823 0.038 0.000 0.658 350 V HN 0.683 nan 8.190 nan 0.000 0.455 351 S N 0.446 116.164 115.700 0.031 0.000 2.561 351 S HA 0.267 4.937 4.470 0.334 0.000 0.225 351 S C 1.786 176.374 174.600 -0.020 0.000 0.977 351 S CA 0.753 58.954 58.200 0.002 0.000 0.926 351 S CB -0.453 62.760 63.200 0.021 0.000 0.769 351 S HN 2.047 nan 8.310 nan 0.000 0.533 352 G N 0.712 109.515 108.800 0.005 0.000 2.198 352 G HA2 -0.318 3.842 3.960 0.334 0.000 0.260 352 G HA3 -0.318 3.842 3.960 0.334 0.000 0.260 352 G C 0.606 175.483 174.900 -0.039 0.000 1.025 352 G CA 0.836 45.931 45.100 -0.008 0.000 0.769 352 G HN 0.701 nan 8.290 nan 0.000 0.507 353 T N -1.675 112.839 114.554 -0.066 0.000 3.010 353 T HA 0.243 4.793 4.350 0.334 0.000 0.252 353 T C 0.769 175.248 174.700 -0.367 0.000 1.047 353 T CA 0.924 62.878 62.100 -0.244 0.000 1.140 353 T CB 0.087 68.736 68.868 -0.364 0.000 0.885 353 T HN 0.356 nan 8.240 nan 0.000 0.464 354 Y N 1.831 122.150 120.300 0.032 0.000 2.491 354 Y HA 0.594 5.344 4.550 0.334 0.000 0.334 354 Y C -0.567 175.367 175.900 0.057 0.000 0.969 354 Y CA -0.952 57.174 58.100 0.043 0.000 1.241 354 Y CB 1.128 39.613 38.460 0.042 0.000 1.105 354 Y HN -0.114 nan 8.280 nan 0.000 0.503 355 V N 5.497 125.504 119.914 0.154 0.000 2.540 355 V HA 0.476 4.796 4.120 0.334 0.000 0.302 355 V C -0.378 175.822 176.094 0.177 0.000 1.035 355 V CA -1.000 61.397 62.300 0.162 0.000 0.873 355 V CB 2.092 33.987 31.823 0.120 0.000 0.992 355 V HN 0.554 nan 8.190 nan 0.000 0.428 356 L N 4.210 125.546 121.223 0.189 0.000 2.356 356 L HA 0.590 5.131 4.340 0.334 0.000 0.277 356 L C -0.190 176.752 176.870 0.120 0.000 0.996 356 L CA -0.600 54.334 54.840 0.158 0.000 0.822 356 L CB 2.028 44.183 42.059 0.160 0.000 1.256 356 L HN 0.606 nan 8.230 nan 0.000 0.413 357 K N 2.439 122.852 120.400 0.022 0.000 2.172 357 K HA 0.429 4.949 4.320 0.334 0.000 0.276 357 K C -0.719 175.626 176.600 -0.424 0.000 1.013 357 K CA -0.605 55.494 56.287 -0.313 0.000 0.913 357 K CB 1.608 33.949 32.500 -0.265 0.000 1.055 357 K HN 0.343 nan 8.250 nan 0.000 0.461 358 V N 7.029 126.559 119.914 -0.641 0.000 2.485 358 V HA 0.078 4.398 4.120 0.334 0.000 0.287 358 V C -1.649 174.022 176.094 -0.705 0.000 1.022 358 V CA -1.168 60.647 62.300 -0.808 0.000 1.067 358 V CB 0.648 32.008 31.823 -0.771 0.000 0.967 358 V HN 0.837 nan 8.190 nan 0.000 0.479 359 P HA 0.158 nan 4.420 nan 0.000 0.235 359 P C -0.230 176.848 177.300 -0.370 0.000 1.720 359 P CA 0.235 63.091 63.100 -0.407 0.000 1.003 359 P CB 0.211 31.749 31.700 -0.268 0.000 1.968 360 E N 1.993 121.946 120.200 -0.412 0.000 2.314 360 E HA 0.379 4.929 4.350 0.334 0.000 0.272 360 E C -2.161 174.292 176.600 -0.245 0.000 0.884 360 E CA -1.963 54.216 56.400 -0.368 0.000 0.753 360 E CB 2.206 31.578 29.700 -0.547 0.000 1.213 360 E HN 0.218 nan 8.360 nan 0.000 0.432 361 P HA 0.114 nan 4.420 nan 0.000 0.280 361 P C 0.408 177.749 177.300 0.068 0.000 1.278 361 P CA -0.471 62.611 63.100 -0.029 0.000 0.787 361 P CB 0.786 32.493 31.700 0.011 0.000 1.163 362 L N 0.345 121.583 121.223 0.024 0.000 2.573 362 L HA -0.083 4.458 4.340 0.334 0.000 0.290 362 L C 1.298 178.121 176.870 -0.079 0.000 1.247 362 L CA 0.530 55.355 54.840 -0.024 0.000 0.876 362 L CB -0.270 41.766 42.059 -0.040 0.000 1.123 362 L HN 0.526 nan 8.230 nan 0.000 0.505 363 R N 3.077 123.508 120.500 -0.115 0.000 3.055 363 R HA -0.123 4.417 4.340 0.334 0.000 0.265 363 R C -1.007 175.187 176.300 -0.178 0.000 0.947 363 R CA 0.319 56.324 56.100 -0.159 0.000 0.652 363 R CB -1.403 28.800 30.300 -0.161 0.000 1.367 363 R HN 0.512 nan 8.270 nan 0.000 0.441 364 I N 2.356 122.858 120.570 -0.114 0.000 2.396 364 I HA 0.073 4.443 4.170 0.334 0.000 0.289 364 I C 1.895 177.942 176.117 -0.117 0.000 1.056 364 I CA -0.002 61.258 61.300 -0.066 0.000 1.365 364 I CB 0.854 38.750 38.000 -0.173 0.000 1.407 364 I HN 0.230 nan 8.210 nan 0.000 0.509 365 R N 4.783 125.204 120.500 -0.132 0.000 2.105 365 R HA 0.140 4.680 4.340 0.334 0.000 0.214 365 R C -0.543 175.356 176.300 -0.669 0.000 1.091 365 R CA 0.807 56.645 56.100 -0.436 0.000 1.007 365 R CB 0.247 30.233 30.300 -0.524 0.000 0.912 365 R HN 0.460 nan 8.270 nan 0.000 0.450 366 Y N -1.069 119.287 120.300 0.093 0.000 2.562 366 Y HA 0.481 5.234 4.550 0.338 0.000 0.345 366 Y C -0.709 175.291 175.900 0.167 0.000 1.045 366 Y CA -1.216 56.947 58.100 0.106 0.000 1.028 366 Y CB 2.278 40.793 38.460 0.091 0.000 1.297 366 Y HN -0.384 nan 8.280 nan 0.000 0.463 367 V N 2.425 122.525 119.914 0.311 0.000 2.686 367 V HA 0.698 5.018 4.120 0.334 0.000 0.306 367 V C -0.908 175.322 176.094 0.227 0.000 1.065 367 V CA -0.770 61.696 62.300 0.276 0.000 0.894 367 V CB 1.965 33.907 31.823 0.200 0.000 1.004 367 V HN 0.667 nan 8.190 nan 0.000 0.424 368 R N 2.151 122.782 120.500 0.218 0.000 2.725 368 R HA 0.636 5.176 4.340 0.334 0.000 0.277 368 R C -0.574 175.822 176.300 0.160 0.000 0.987 368 R CA -0.995 55.203 56.100 0.162 0.000 0.901 368 R CB 1.479 31.858 30.300 0.132 0.000 1.207 368 R HN 0.818 nan 8.270 nan 0.000 0.463 369 R N 0.951 121.533 120.500 0.137 0.000 2.538 369 R HA 0.214 4.755 4.340 0.334 0.000 0.282 369 R C 0.260 176.619 176.300 0.099 0.000 1.009 369 R CA 1.400 57.581 56.100 0.135 0.000 1.063 369 R CB 0.207 30.573 30.300 0.111 0.000 0.945 369 R HN 0.750 nan 8.270 nan 0.000 0.414 370 G N 1.421 110.279 108.800 0.096 0.000 3.443 370 G HA2 0.454 4.614 3.960 0.334 0.000 0.252 370 G HA3 0.454 4.614 3.960 0.334 0.000 0.252 370 G C 0.076 174.986 174.900 0.016 0.000 1.015 370 G CA 0.206 45.334 45.100 0.048 0.000 0.891 370 G HN 0.980 nan 8.290 nan 0.000 0.510 371 G N -0.229 108.584 108.800 0.022 0.000 2.320 371 G HA2 0.323 4.483 3.960 0.334 0.000 0.296 371 G HA3 0.323 4.483 3.960 0.334 0.000 0.296 371 G C -0.374 174.518 174.900 -0.014 0.000 1.306 371 G CA 0.037 45.130 45.100 -0.012 0.000 0.836 371 G HN -0.169 nan 8.290 nan 0.000 0.517 372 D N -0.044 120.331 120.400 -0.042 0.000 2.126 372 D HA -0.099 4.741 4.640 0.334 0.000 0.190 372 D C 2.210 178.452 176.300 -0.096 0.000 1.001 372 D CA 2.606 56.581 54.000 -0.042 0.000 0.841 372 D CB -0.085 40.681 40.800 -0.057 0.000 0.949 372 D HN 0.728 nan 8.370 nan 0.000 0.446 373 T N -3.020 111.356 114.554 -0.296 0.000 3.442 373 T HA 0.383 4.934 4.350 0.334 0.000 0.295 373 T C 0.145 174.242 174.700 -1.005 0.000 1.007 373 T CA -0.705 60.868 62.100 -0.878 0.000 0.962 373 T CB 0.537 68.943 68.868 -0.770 0.000 1.187 373 T HN -0.143 nan 8.240 nan 0.000 0.490 374 K N 0.314 120.502 120.400 -0.354 0.000 2.340 374 K HA 0.828 5.348 4.320 0.334 0.000 0.244 374 K C -1.635 175.047 176.600 0.137 0.000 0.973 374 K CA -1.060 55.149 56.287 -0.129 0.000 0.828 374 K CB 3.077 35.525 32.500 -0.086 0.000 1.226 374 K HN 0.076 nan 8.250 nan 0.000 0.437 375 V N 0.789 120.838 119.914 0.225 0.000 2.971 375 V HA 0.700 5.021 4.120 0.334 0.000 0.309 375 V C -1.537 174.720 176.094 0.272 0.000 1.130 375 V CA -0.540 61.934 62.300 0.290 0.000 0.964 375 V CB 1.985 34.048 31.823 0.399 0.000 1.029 375 V HN 0.940 nan 8.190 nan 0.000 0.427 376 A N 5.237 128.181 122.820 0.207 0.000 2.312 376 A HA 1.022 5.542 4.320 0.334 0.000 0.328 376 A C -1.001 176.714 177.584 0.218 0.000 1.158 376 A CA -0.392 51.711 52.037 0.111 0.000 0.821 376 A CB 1.047 20.088 19.000 0.068 0.000 1.170 376 A HN 1.494 nan 8.150 nan 0.000 0.490 377 F N -0.042 120.020 119.950 0.187 0.000 2.662 377 F HA 0.760 5.487 4.527 0.334 0.000 0.312 377 F C -1.263 174.663 175.800 0.210 0.000 1.113 377 F CA -1.644 56.466 58.000 0.182 0.000 0.951 377 F CB 1.052 40.134 39.000 0.137 0.000 1.344 377 F HN 0.275 nan 8.300 nan 0.000 0.462 378 I N 2.681 123.558 120.570 0.512 0.000 2.354 378 I HA 0.249 4.620 4.170 0.334 0.000 0.292 378 I C -0.636 175.768 176.117 0.478 0.000 0.989 378 I CA -0.258 61.292 61.300 0.418 0.000 1.188 378 I CB 1.067 39.298 38.000 0.385 0.000 1.342 378 I HN 0.792 nan 8.210 nan 0.000 0.457 379 H N 5.255 124.571 119.070 0.410 0.000 2.511 379 H HA 0.566 5.322 4.556 0.333 0.000 0.328 379 H C -0.525 174.973 175.328 0.284 0.000 1.044 379 H CA -0.395 55.847 56.048 0.325 0.000 1.212 379 H CB 1.843 31.843 29.762 0.396 0.000 1.428 379 H HN 0.769 nan 8.280 nan 0.000 0.483 380 G N 3.169 111.802 108.800 -0.277 0.000 2.379 380 G HA2 0.448 4.609 3.960 0.334 0.000 0.327 380 G HA3 0.448 4.609 3.960 0.334 0.000 0.327 380 G C -0.275 174.485 174.900 -0.233 0.000 1.145 380 G CA -0.322 44.694 45.100 -0.141 0.000 0.905 380 G HN 0.699 nan 8.290 nan 0.000 0.466 381 T N -1.083 113.485 114.554 0.024 0.000 2.693 381 T HA 0.393 4.944 4.350 0.334 0.000 0.278 381 T C 1.235 176.001 174.700 0.111 0.000 0.994 381 T CA -0.786 61.351 62.100 0.062 0.000 1.033 381 T CB 1.778 70.740 68.868 0.157 0.000 1.342 381 T HN 0.384 nan 8.240 nan 0.000 0.538 382 R N 0.008 120.579 120.500 0.117 0.000 2.237 382 R HA -0.000 4.540 4.340 0.334 0.000 0.219 382 R C 1.510 177.899 176.300 0.148 0.000 1.080 382 R CA 1.004 57.182 56.100 0.130 0.000 0.995 382 R CB -0.046 30.317 30.300 0.106 0.000 0.875 382 R HN 0.570 nan 8.270 nan 0.000 0.462 383 E N -0.605 119.709 120.200 0.189 0.000 2.318 383 E HA 0.152 4.703 4.350 0.334 0.000 0.193 383 E C 0.779 177.466 176.600 0.145 0.000 0.998 383 E CA 0.892 57.413 56.400 0.202 0.000 0.859 383 E CB 0.949 30.824 29.700 0.292 0.000 0.812 383 E HN 0.488 nan 8.360 nan 0.000 0.492 384 G N 0.417 109.300 108.800 0.140 0.000 2.350 384 G HA2 0.007 4.167 3.960 0.334 0.000 0.276 384 G HA3 0.007 4.167 3.960 0.334 0.000 0.276 384 G C -1.812 173.010 174.900 -0.129 0.000 1.313 384 G CA -0.812 44.241 45.100 -0.078 0.000 0.903 384 G HN -0.072 nan 8.290 nan 0.000 0.490 385 D N -0.027 120.173 120.400 -0.333 0.000 2.185 385 D HA 0.769 5.609 4.640 0.334 0.000 0.247 385 D C -0.858 175.178 176.300 -0.440 0.000 1.027 385 D CA 0.197 54.090 54.000 -0.178 0.000 0.861 385 D CB 1.605 42.360 40.800 -0.075 0.000 1.202 385 D HN 0.189 nan 8.370 nan 0.000 0.453 386 F N 0.418 120.451 119.950 0.138 0.000 2.603 386 F HA 0.349 5.077 4.527 0.335 0.000 0.317 386 F C -0.107 175.794 175.800 0.168 0.000 1.066 386 F CA -1.120 56.973 58.000 0.156 0.000 0.941 386 F CB 1.463 40.575 39.000 0.186 0.000 1.291 386 F HN -0.008 nan 8.300 nan 0.000 0.472 387 L N 1.715 123.129 121.223 0.319 0.000 2.334 387 L HA 0.852 5.392 4.340 0.334 0.000 0.277 387 L C -0.246 176.728 176.870 0.173 0.000 1.075 387 L CA 0.184 55.138 54.840 0.191 0.000 0.804 387 L CB 0.851 42.977 42.059 0.112 0.000 1.174 387 L HN 0.783 nan 8.230 nan 0.000 0.438 388 G N 4.842 113.440 108.800 -0.336 0.000 2.694 388 G HA2 0.680 4.840 3.960 0.334 0.000 0.290 388 G HA3 0.680 4.840 3.960 0.334 0.000 0.290 388 G C -1.578 172.783 174.900 -0.898 0.000 1.386 388 G CA -0.525 44.101 45.100 -0.789 0.000 0.872 388 G HN 0.536 nan 8.290 nan 0.000 0.475 389 I N 0.049 120.345 120.570 -0.456 0.000 2.686 389 I HA 0.411 4.782 4.170 0.334 0.000 0.295 389 I C -1.748 174.507 176.117 0.230 0.000 1.114 389 I CA -0.903 60.352 61.300 -0.075 0.000 1.038 389 I CB 2.746 40.770 38.000 0.040 0.000 1.238 389 I HN 0.526 nan 8.210 nan 0.000 0.420 390 Y N 5.016 125.444 120.300 0.213 0.000 2.386 390 Y HA 0.390 5.140 4.550 0.333 0.000 0.334 390 Y C -1.234 174.756 175.900 0.151 0.000 1.002 390 Y CA -1.060 57.182 58.100 0.237 0.000 1.068 390 Y CB 1.539 40.212 38.460 0.353 0.000 1.203 390 Y HN 0.465 nan 8.280 nan 0.000 0.443 391 D N 5.417 125.472 120.400 -0.574 0.000 2.412 391 D HA 0.070 4.910 4.640 0.334 0.000 0.224 391 D C 0.265 176.026 176.300 -0.898 0.000 1.093 391 D CA -0.326 53.321 54.000 -0.589 0.000 0.850 391 D CB 0.432 41.030 40.800 -0.338 0.000 1.046 391 D HN 0.698 nan 8.370 nan 0.000 0.507 392 Y N 2.858 122.743 120.300 -0.692 0.000 2.571 392 Y HA 0.104 4.854 4.550 0.333 0.000 0.294 392 Y C 2.133 177.928 175.900 -0.176 0.000 1.141 392 Y CA 0.156 57.998 58.100 -0.430 0.000 1.308 392 Y CB -0.277 38.148 38.460 -0.059 0.000 1.002 392 Y HN 0.257 nan 8.280 nan 0.000 0.551 393 R N 1.206 121.528 120.500 -0.296 0.000 2.055 393 R HA -0.083 4.457 4.340 0.334 0.000 0.226 393 R C 2.286 178.530 176.300 -0.094 0.000 1.135 393 R CA 1.984 57.998 56.100 -0.143 0.000 0.959 393 R CB -0.469 29.706 30.300 -0.208 0.000 0.854 393 R HN 0.494 nan 8.270 nan 0.000 0.431 394 T N -3.705 110.764 114.554 -0.142 0.000 3.035 394 T HA 0.184 4.734 4.350 0.334 0.000 0.259 394 T C 1.400 176.067 174.700 -0.055 0.000 1.078 394 T CA 0.759 62.807 62.100 -0.085 0.000 1.132 394 T CB 0.386 69.200 68.868 -0.091 0.000 0.900 394 T HN 0.475 nan 8.240 nan 0.000 0.480 395 G N 2.194 110.929 108.800 -0.109 0.000 2.157 395 G HA2 -0.249 3.911 3.960 0.334 0.000 0.239 395 G HA3 -0.249 3.911 3.960 0.334 0.000 0.239 395 G C -0.042 174.910 174.900 0.086 0.000 0.982 395 G CA 0.138 45.252 45.100 0.023 0.000 0.650 395 G HN 1.010 nan 8.290 nan 0.000 0.527 396 K N -0.186 120.200 120.400 -0.023 0.000 2.339 396 K HA 0.734 5.254 4.320 0.334 0.000 0.286 396 K C -0.026 176.634 176.600 0.102 0.000 1.050 396 K CA 0.104 56.407 56.287 0.027 0.000 0.956 396 K CB 1.703 34.189 32.500 -0.024 0.000 0.990 396 K HN 0.935 nan 8.250 nan 0.000 0.475 397 A N 3.313 126.241 122.820 0.179 0.000 2.356 397 A HA 0.383 4.903 4.320 0.334 0.000 0.310 397 A C -1.212 176.419 177.584 0.078 0.000 1.075 397 A CA -0.737 51.456 52.037 0.260 0.000 0.746 397 A CB 1.325 20.543 19.000 0.363 0.000 1.221 397 A HN 0.917 nan 8.150 nan 0.000 0.443 398 E N 1.664 121.865 120.200 0.002 0.000 2.317 398 E HA 0.574 5.125 4.350 0.334 0.000 0.270 398 E C -1.288 175.134 176.600 -0.296 0.000 0.885 398 E CA -0.605 55.685 56.400 -0.184 0.000 0.760 398 E CB 1.506 31.025 29.700 -0.301 0.000 1.227 398 E HN 0.547 nan 8.360 nan 0.000 0.434 399 K N 2.846 123.049 120.400 -0.328 0.000 2.378 399 K HA 0.373 4.893 4.320 0.334 0.000 0.252 399 K C -1.250 175.141 176.600 -0.347 0.000 0.931 399 K CA -0.647 55.477 56.287 -0.272 0.000 0.794 399 K CB 1.248 33.685 32.500 -0.105 0.000 1.181 399 K HN 0.293 nan 8.250 nan 0.000 0.425 400 F N 1.853 121.813 119.950 0.015 0.000 2.371 400 F HA 0.103 4.831 4.527 0.335 0.000 0.329 400 F C 1.819 177.686 175.800 0.112 0.000 1.107 400 F CA -0.410 57.620 58.000 0.049 0.000 1.137 400 F CB 0.857 39.887 39.000 0.051 0.000 1.214 400 F HN 0.572 nan 8.300 nan 0.000 0.536 401 E N 0.262 120.631 120.200 0.281 0.000 2.465 401 E HA -0.006 4.544 4.350 0.334 0.000 0.191 401 E C -0.482 176.367 176.600 0.415 0.000 1.053 401 E CA 0.260 56.809 56.400 0.248 0.000 0.869 401 E CB -0.287 29.484 29.700 0.118 0.000 0.977 401 E HN 0.505 nan 8.360 nan 0.000 0.483 402 E N 1.903 122.324 120.200 0.368 0.000 2.257 402 E HA 0.084 4.635 4.350 0.334 0.000 0.278 402 E C -0.551 176.129 176.600 0.134 0.000 1.049 402 E CA -0.188 56.344 56.400 0.219 0.000 0.876 402 E CB 0.471 30.230 29.700 0.099 0.000 1.035 402 E HN 0.263 nan 8.360 nan 0.000 0.419 403 N N 3.701 122.391 118.700 -0.016 0.000 2.405 403 N HA 0.033 4.973 4.740 0.334 0.000 0.260 403 N C 0.605 175.936 175.510 -0.300 0.000 1.152 403 N CA -0.241 52.540 53.050 -0.449 0.000 0.948 403 N CB 0.381 38.724 38.487 -0.239 0.000 1.111 403 N HN 0.343 nan 8.380 nan 0.000 0.485 404 L N 3.226 124.236 121.223 -0.354 0.000 2.592 404 L HA 0.326 4.866 4.340 0.334 0.000 0.227 404 L C 1.428 178.207 176.870 -0.152 0.000 1.127 404 L CA -0.016 54.713 54.840 -0.185 0.000 0.884 404 L CB -1.022 40.960 42.059 -0.128 0.000 1.065 404 L HN 0.848 nan 8.230 nan 0.000 0.457 405 G N 0.945 109.626 108.800 -0.198 0.000 2.499 405 G HA2 -0.248 3.912 3.960 0.334 0.000 0.232 405 G HA3 -0.248 3.912 3.960 0.334 0.000 0.232 405 G C -0.384 174.460 174.900 -0.093 0.000 1.251 405 G CA -0.564 44.464 45.100 -0.120 0.000 0.917 405 G HN 0.254 nan 8.290 nan 0.000 0.580 406 N N 0.779 119.474 118.700 -0.007 0.000 2.527 406 N HA 0.456 5.396 4.740 0.334 0.000 0.236 406 N C 0.038 175.585 175.510 0.061 0.000 0.999 406 N CA -0.154 52.907 53.050 0.019 0.000 0.935 406 N CB 1.617 40.197 38.487 0.156 0.000 1.132 406 N HN 0.557 nan 8.380 nan 0.000 0.511 407 V N 2.578 122.451 119.914 -0.068 0.000 2.583 407 V HA 0.248 4.569 4.120 0.334 0.000 0.287 407 V C 0.528 176.514 176.094 -0.179 0.000 1.051 407 V CA 0.039 62.340 62.300 0.003 0.000 1.010 407 V CB 0.445 32.296 31.823 0.047 0.000 0.988 407 V HN 0.531 nan 8.190 nan 0.000 0.478 408 F N 1.966 121.984 119.950 0.113 0.000 2.746 408 F HA 0.673 5.399 4.527 0.332 0.000 0.320 408 F C 0.704 176.416 175.800 -0.147 0.000 1.097 408 F CA 0.355 58.425 58.000 0.117 0.000 1.195 408 F CB 0.636 39.707 39.000 0.118 0.000 1.056 408 F HN 0.558 nan 8.300 nan 0.000 0.562 409 A N 1.176 123.906 122.820 -0.150 0.000 2.577 409 A HA 0.733 5.253 4.320 0.334 0.000 0.297 409 A C -1.444 176.090 177.584 -0.084 0.000 1.060 409 A CA -0.478 51.411 52.037 -0.247 0.000 0.697 409 A CB 1.867 20.857 19.000 -0.016 0.000 1.281 409 A HN 0.007 nan 8.150 nan 0.000 0.402 410 M N 1.902 121.432 119.600 -0.116 0.000 2.421 410 M HA 0.667 5.348 4.480 0.334 0.000 0.287 410 M C -0.782 175.628 176.300 0.184 0.000 1.183 410 M CA 0.019 55.386 55.300 0.112 0.000 0.916 410 M CB 2.012 34.618 32.600 0.010 0.000 1.701 410 M HN 1.457 nan 8.290 nan 0.000 0.470 411 G N 2.259 111.245 108.800 0.310 0.000 2.690 411 G HA2 0.724 4.885 3.960 0.334 0.000 0.291 411 G HA3 0.724 4.885 3.960 0.334 0.000 0.291 411 G C -2.146 172.847 174.900 0.154 0.000 1.403 411 G CA -0.469 44.791 45.100 0.266 0.000 0.864 411 G HN 0.583 nan 8.290 nan 0.000 0.480 412 V N 1.582 121.541 119.914 0.075 0.000 2.656 412 V HA 0.383 4.704 4.120 0.334 0.000 0.307 412 V C -0.360 175.654 176.094 -0.134 0.000 1.051 412 V CA -1.001 61.273 62.300 -0.043 0.000 0.893 412 V CB 1.826 33.634 31.823 -0.024 0.000 0.999 412 V HN 0.973 nan 8.190 nan 0.000 0.426 413 D N 3.949 124.109 120.400 -0.401 0.000 2.382 413 D HA -0.001 4.839 4.640 0.334 0.000 0.240 413 D C 0.889 177.048 176.300 -0.236 0.000 1.146 413 D CA -0.463 53.274 54.000 -0.438 0.000 0.897 413 D CB 1.427 41.613 40.800 -1.024 0.000 1.197 413 D HN 0.527 nan 8.370 nan 0.000 0.432 414 R N 1.647 122.068 120.500 -0.132 0.000 2.241 414 R HA -0.129 4.412 4.340 0.334 0.000 0.224 414 R C 0.776 177.033 176.300 -0.073 0.000 1.101 414 R CA 1.199 57.260 56.100 -0.066 0.000 0.995 414 R CB -0.131 30.157 30.300 -0.021 0.000 0.870 414 R HN 0.537 nan 8.270 nan 0.000 0.463 415 N N -0.958 117.674 118.700 -0.113 0.000 2.280 415 N HA 0.116 5.056 4.740 0.334 0.000 0.192 415 N C 0.282 175.738 175.510 -0.090 0.000 1.109 415 N CA 0.503 53.505 53.050 -0.080 0.000 0.855 415 N CB 1.206 39.657 38.487 -0.059 0.000 0.974 415 N HN 0.296 nan 8.380 nan 0.000 0.482 416 G N 1.250 109.969 108.800 -0.135 0.000 2.249 416 G HA2 -0.351 3.810 3.960 0.334 0.000 0.273 416 G HA3 -0.351 3.810 3.960 0.334 0.000 0.273 416 G C 0.810 175.657 174.900 -0.088 0.000 1.036 416 G CA 0.607 45.642 45.100 -0.108 0.000 0.824 416 G HN 0.365 nan 8.290 nan 0.000 0.504 417 K N -1.336 118.987 120.400 -0.129 0.000 2.334 417 K HA 0.396 4.917 4.320 0.334 0.000 0.195 417 K C 0.596 177.263 176.600 0.111 0.000 1.045 417 K CA 0.978 57.271 56.287 0.011 0.000 1.004 417 K CB 0.350 32.911 32.500 0.102 0.000 0.837 417 K HN 0.748 nan 8.250 nan 0.000 0.510 418 F N -2.087 117.845 119.950 -0.030 0.000 2.693 418 F HA 0.669 5.392 4.527 0.327 0.000 0.309 418 F C -1.589 174.187 175.800 -0.041 0.000 1.129 418 F CA -1.653 56.314 58.000 -0.055 0.000 0.948 418 F CB 0.843 39.809 39.000 -0.057 0.000 1.315 418 F HN -0.290 nan 8.300 nan 0.000 0.447 419 A N 1.237 124.164 122.820 0.178 0.000 2.354 419 A HA 0.879 5.399 4.320 0.334 0.000 0.321 419 A C -1.584 176.089 177.584 0.147 0.000 1.125 419 A CA -0.987 51.107 52.037 0.094 0.000 0.799 419 A CB 1.729 20.746 19.000 0.028 0.000 1.293 419 A HN 0.878 nan 8.150 nan 0.000 0.452 420 V N 1.156 121.101 119.914 0.053 0.000 2.495 420 V HA 0.588 4.908 4.120 0.334 0.000 0.298 420 V C -0.528 175.439 176.094 -0.211 0.000 1.031 420 V CA -0.382 61.804 62.300 -0.191 0.000 0.871 420 V CB 1.412 32.953 31.823 -0.469 0.000 0.988 420 V HN 0.686 nan 8.190 nan 0.000 0.432 421 V N 3.022 122.792 119.914 -0.240 0.000 2.876 421 V HA 0.914 5.234 4.120 0.334 0.000 0.312 421 V C -0.094 175.953 176.094 -0.079 0.000 1.085 421 V CA -0.577 61.673 62.300 -0.082 0.000 0.945 421 V CB 2.154 33.950 31.823 -0.045 0.000 1.017 421 V HN 1.015 nan 8.190 nan 0.000 0.428 422 A N 3.834 126.702 122.820 0.080 0.000 2.356 422 A HA 0.845 5.365 4.320 0.334 0.000 0.310 422 A C -0.476 177.212 177.584 0.172 0.000 1.075 422 A CA -0.728 51.383 52.037 0.125 0.000 0.746 422 A CB 1.047 20.199 19.000 0.254 0.000 1.221 422 A HN 0.991 nan 8.150 nan 0.000 0.443 423 N N 0.290 119.086 118.700 0.161 0.000 2.890 423 N HA 0.417 5.358 4.740 0.334 0.000 0.317 423 N C -0.713 174.943 175.510 0.243 0.000 1.355 423 N CA -0.468 52.713 53.050 0.219 0.000 0.803 423 N CB 1.108 39.649 38.487 0.090 0.000 1.465 423 N HN 0.414 nan 8.380 nan 0.000 0.591 424 D N -0.904 119.633 120.400 0.227 0.000 2.324 424 D HA -0.008 4.832 4.640 0.334 0.000 0.235 424 D C 0.974 177.151 176.300 -0.204 0.000 1.095 424 D CA 0.224 54.264 54.000 0.067 0.000 0.871 424 D CB -0.132 40.700 40.800 0.053 0.000 0.906 424 D HN 0.416 nan 8.370 nan 0.000 0.522 425 R N -0.695 119.726 120.500 -0.132 0.000 2.297 425 R HA 0.241 4.781 4.340 0.334 0.000 0.197 425 R C 0.098 176.287 176.300 -0.185 0.000 0.943 425 R CA -0.058 55.888 56.100 -0.256 0.000 1.038 425 R CB -0.203 30.028 30.300 -0.115 0.000 0.957 425 R HN 0.155 nan 8.270 nan 0.000 0.484 426 F N -0.172 119.759 119.950 -0.032 0.000 2.844 426 F HA -0.262 4.467 4.527 0.337 0.000 0.288 426 F C -0.464 175.319 175.800 -0.029 0.000 0.732 426 F CA -0.101 57.873 58.000 -0.044 0.000 1.378 426 F CB -1.420 37.541 39.000 -0.066 0.000 1.597 426 F HN 0.164 nan 8.300 nan 0.000 0.376 427 E N 1.279 121.558 120.200 0.132 0.000 2.214 427 E HA 0.708 5.258 4.350 0.334 0.000 0.274 427 E C -0.324 176.259 176.600 -0.029 0.000 0.977 427 E CA -0.889 55.532 56.400 0.034 0.000 0.827 427 E CB 3.036 32.727 29.700 -0.015 0.000 1.130 427 E HN 0.318 nan 8.360 nan 0.000 0.394 428 I N 3.411 123.899 120.570 -0.137 0.000 2.509 428 I HA 0.469 4.840 4.170 0.334 0.000 0.293 428 I C -0.971 174.955 176.117 -0.317 0.000 1.020 428 I CA -0.614 60.525 61.300 -0.270 0.000 1.088 428 I CB 0.774 38.499 38.000 -0.459 0.000 1.267 428 I HN 0.639 nan 8.210 nan 0.000 0.430 429 M N 4.769 124.177 119.600 -0.320 0.000 2.644 429 M HA 0.539 5.220 4.480 0.334 0.000 0.273 429 M C -1.336 174.798 176.300 -0.277 0.000 1.253 429 M CA -0.603 54.522 55.300 -0.292 0.000 0.852 429 M CB 2.009 34.491 32.600 -0.197 0.000 1.708 429 M HN 0.509 nan 8.290 nan 0.000 0.471 430 T N -0.399 114.004 114.554 -0.252 0.000 2.925 430 T HA 0.792 5.342 4.350 0.334 0.000 0.285 430 T C -0.684 173.935 174.700 -0.134 0.000 1.021 430 T CA -0.717 61.273 62.100 -0.183 0.000 1.042 430 T CB 1.816 70.499 68.868 -0.307 0.000 1.037 430 T HN 0.605 nan 8.240 nan 0.000 0.481 431 V N 2.480 122.355 119.914 -0.066 0.000 2.482 431 V HA 0.325 4.645 4.120 0.334 0.000 0.295 431 V C -0.112 175.920 176.094 -0.103 0.000 1.026 431 V CA -1.056 61.172 62.300 -0.120 0.000 0.856 431 V CB 1.513 33.243 31.823 -0.154 0.000 1.001 431 V HN 1.073 nan 8.190 nan 0.000 0.424 432 D N 3.798 124.116 120.400 -0.136 0.000 2.450 432 D HA 0.070 4.910 4.640 0.334 0.000 0.247 432 D C 0.840 177.004 176.300 -0.226 0.000 1.162 432 D CA 0.110 54.052 54.000 -0.097 0.000 0.879 432 D CB 1.344 42.092 40.800 -0.087 0.000 1.163 432 D HN 0.518 nan 8.370 nan 0.000 0.472 433 L N 3.247 124.412 121.223 -0.096 0.000 2.599 433 L HA 0.020 4.560 4.340 0.334 0.000 0.230 433 L C 1.928 178.850 176.870 0.087 0.000 1.141 433 L CA 0.296 55.088 54.840 -0.080 0.000 0.877 433 L CB -0.036 42.035 42.059 0.019 0.000 1.009 433 L HN 0.526 nan 8.230 nan 0.000 0.447 434 E N -0.412 119.816 120.200 0.047 0.000 2.288 434 E HA -0.079 4.471 4.350 0.334 0.000 0.200 434 E C 1.897 178.619 176.600 0.202 0.000 0.880 434 E CA 0.953 57.440 56.400 0.145 0.000 0.971 434 E CB 0.479 30.225 29.700 0.077 0.000 0.954 434 E HN 0.331 nan 8.360 nan 0.000 0.489 435 T N -3.396 111.200 114.554 0.070 0.000 3.022 435 T HA 0.255 4.805 4.350 0.334 0.000 0.250 435 T C 1.462 176.175 174.700 0.022 0.000 1.060 435 T CA 0.689 62.841 62.100 0.088 0.000 1.013 435 T CB 0.800 69.684 68.868 0.027 0.000 0.982 435 T HN 0.285 nan 8.240 nan 0.000 0.508 436 G N 1.832 110.397 108.800 -0.393 0.000 2.162 436 G HA2 -0.307 3.854 3.960 0.334 0.000 0.260 436 G HA3 -0.307 3.854 3.960 0.334 0.000 0.260 436 G C -0.009 174.715 174.900 -0.292 0.000 0.976 436 G CA 0.386 45.023 45.100 -0.773 0.000 0.655 436 G HN 0.856 nan 8.290 nan 0.000 0.533 437 K N 1.796 122.093 120.400 -0.171 0.000 2.363 437 K HA 0.358 4.878 4.320 0.334 0.000 0.289 437 K C -2.002 174.526 176.600 -0.119 0.000 1.063 437 K CA -1.384 54.843 56.287 -0.100 0.000 0.967 437 K CB 0.903 33.366 32.500 -0.061 0.000 0.987 437 K HN 0.189 nan 8.250 nan 0.000 0.473 438 P HA 0.174 nan 4.420 nan 0.000 0.286 438 P C -1.221 176.016 177.300 -0.105 0.000 1.261 438 P CA -0.503 62.530 63.100 -0.111 0.000 0.821 438 P CB 1.532 33.174 31.700 -0.097 0.000 1.013 439 T N 1.528 116.004 114.554 -0.130 0.000 2.890 439 T HA 0.207 4.758 4.350 0.334 0.000 0.295 439 T C -0.077 174.516 174.700 -0.178 0.000 0.993 439 T CA -0.424 61.597 62.100 -0.132 0.000 0.979 439 T CB 0.888 69.680 68.868 -0.126 0.000 0.967 439 T HN 0.076 nan 8.240 nan 0.000 0.441 440 V N 5.222 125.044 119.914 -0.153 0.000 2.479 440 V HA 0.132 4.452 4.120 0.334 0.000 0.281 440 V C 1.358 177.307 176.094 -0.241 0.000 1.031 440 V CA 0.305 62.499 62.300 -0.176 0.000 1.038 440 V CB 0.063 31.817 31.823 -0.114 0.000 0.981 440 V HN 0.859 nan 8.190 nan 0.000 0.478 441 I N 2.962 123.312 120.570 -0.367 0.000 2.339 441 I HA 0.121 4.491 4.170 0.334 0.000 0.245 441 I C 1.070 177.013 176.117 -0.291 0.000 1.096 441 I CA 1.006 61.981 61.300 -0.541 0.000 1.408 441 I CB 0.274 37.763 38.000 -0.852 0.000 1.092 441 I HN 0.711 nan 8.210 nan 0.000 0.423 442 E N -0.221 119.851 120.200 -0.213 0.000 2.401 442 E HA 0.384 4.935 4.350 0.334 0.000 0.280 442 E C -1.088 175.543 176.600 0.053 0.000 1.039 442 E CA -0.754 55.620 56.400 -0.044 0.000 0.814 442 E CB 1.905 31.618 29.700 0.022 0.000 1.275 442 E HN -0.053 nan 8.360 nan 0.000 0.448 443 R N 1.789 122.397 120.500 0.180 0.000 2.532 443 R HA 0.422 4.963 4.340 0.334 0.000 0.297 443 R C -1.325 175.185 176.300 0.350 0.000 0.984 443 R CA -0.427 55.800 56.100 0.211 0.000 0.884 443 R CB 1.988 32.358 30.300 0.117 0.000 1.182 443 R HN 0.425 nan 8.270 nan 0.000 0.442 444 S N 2.016 117.847 115.700 0.219 0.000 2.616 444 S HA 0.246 4.917 4.470 0.334 0.000 0.277 444 S C 0.811 175.453 174.600 0.070 0.000 1.234 444 S CA -0.742 57.386 58.200 -0.120 0.000 1.028 444 S CB 0.866 63.730 63.200 -0.559 0.000 0.988 444 S HN 0.781 nan 8.310 nan 0.000 0.522 445 R N 1.686 122.185 120.500 -0.002 0.000 2.393 445 R HA 0.349 4.890 4.340 0.334 0.000 0.244 445 R C 0.141 176.482 176.300 0.068 0.000 0.920 445 R CA -0.198 55.985 56.100 0.138 0.000 1.076 445 R CB 0.084 30.433 30.300 0.081 0.000 1.119 445 R HN 0.451 nan 8.270 nan 0.000 0.524 446 E N 1.048 121.098 120.200 -0.250 0.000 2.228 446 E HA 0.316 4.867 4.350 0.334 0.000 0.197 446 E C 0.411 176.516 176.600 -0.825 0.000 0.909 446 E CA 0.787 56.970 56.400 -0.361 0.000 0.911 446 E CB 0.864 30.384 29.700 -0.301 0.000 0.887 446 E HN 0.328 nan 8.360 nan 0.000 0.481 447 A N 0.295 122.365 122.820 -1.250 0.000 2.581 447 A HA 0.626 5.146 4.320 0.334 0.000 0.290 447 A C -0.741 176.182 177.584 -1.101 0.000 1.119 447 A CA -0.716 50.521 52.037 -1.333 0.000 0.670 447 A CB 0.695 19.363 19.000 -0.554 0.000 1.280 447 A HN 0.014 nan 8.150 nan 0.000 0.425 448 M N 0.549 119.833 119.600 -0.528 0.000 2.245 448 M HA 0.242 4.923 4.480 0.334 0.000 0.330 448 M C -0.385 175.869 176.300 -0.076 0.000 1.098 448 M CA 0.768 56.008 55.300 -0.099 0.000 1.172 448 M CB 0.110 32.722 32.600 0.020 0.000 1.467 448 M HN 0.467 nan 8.290 nan 0.000 0.454 449 I N 2.269 122.865 120.570 0.042 0.000 2.325 449 I HA 0.085 4.455 4.170 0.334 0.000 0.285 449 I C 1.010 177.266 176.117 0.232 0.000 1.128 449 I CA -0.151 61.215 61.300 0.111 0.000 1.261 449 I CB -0.176 37.882 38.000 0.097 0.000 1.529 449 I HN 0.798 nan 8.210 nan 0.000 0.557 450 T N -2.165 112.485 114.554 0.159 0.000 3.060 450 T HA 0.054 4.604 4.350 0.334 0.000 0.249 450 T C 0.553 175.217 174.700 -0.060 0.000 1.079 450 T CA -0.089 62.079 62.100 0.115 0.000 1.013 450 T CB 0.059 68.961 68.868 0.056 0.000 0.975 450 T HN 0.246 nan 8.240 nan 0.000 0.518 451 D N 1.525 121.960 120.400 0.059 0.000 2.473 451 D HA 0.434 5.274 4.640 0.334 0.000 0.226 451 D C -0.774 175.627 176.300 0.169 0.000 1.089 451 D CA -1.030 52.977 54.000 0.012 0.000 0.883 451 D CB -0.109 40.747 40.800 0.093 0.000 1.029 451 D HN 0.491 nan 8.370 nan 0.000 0.517 452 F N -0.034 120.001 119.950 0.141 0.000 2.643 452 F HA 0.728 5.450 4.527 0.324 0.000 0.314 452 F C -0.563 175.343 175.800 0.176 0.000 1.096 452 F CA -0.992 57.124 58.000 0.195 0.000 0.953 452 F CB 1.872 40.992 39.000 0.199 0.000 1.345 452 F HN -0.012 nan 8.300 nan 0.000 0.468 453 T N 1.282 116.160 114.554 0.540 0.000 2.864 453 T HA 0.746 5.296 4.350 0.334 0.000 0.299 453 T C -1.659 173.373 174.700 0.553 0.000 1.166 453 T CA -0.679 61.688 62.100 0.445 0.000 1.007 453 T CB 1.598 70.645 68.868 0.298 0.000 1.219 453 T HN 0.668 nan 8.240 nan 0.000 0.506 454 I N 2.894 123.744 120.570 0.466 0.000 2.498 454 I HA 0.375 4.746 4.170 0.334 0.000 0.290 454 I C 0.590 176.877 176.117 0.284 0.000 1.032 454 I CA -1.013 60.520 61.300 0.389 0.000 1.073 454 I CB 2.271 40.431 38.000 0.267 0.000 1.251 454 I HN 0.739 nan 8.210 nan 0.000 0.426 455 S N 2.217 117.929 115.700 0.020 0.000 2.573 455 S HA 0.049 4.720 4.470 0.334 0.000 0.277 455 S C 0.511 175.095 174.600 -0.025 0.000 1.346 455 S CA -0.391 57.665 58.200 -0.239 0.000 1.034 455 S CB 0.964 63.767 63.200 -0.661 0.000 0.879 455 S HN 0.599 nan 8.310 nan 0.000 0.528 456 D N 1.524 121.940 120.400 0.026 0.000 2.221 456 D HA -0.117 4.723 4.640 0.334 0.000 0.204 456 D C 1.400 177.705 176.300 0.008 0.000 0.982 456 D CA 1.577 55.598 54.000 0.036 0.000 0.857 456 D CB -0.390 40.448 40.800 0.063 0.000 0.934 456 D HN 0.842 nan 8.370 nan 0.000 0.475 457 N N -0.749 117.946 118.700 -0.007 0.000 2.370 457 N HA 0.002 4.943 4.740 0.334 0.000 0.198 457 N C -0.117 175.366 175.510 -0.045 0.000 1.156 457 N CA 0.155 53.195 53.050 -0.017 0.000 0.839 457 N CB 0.227 38.714 38.487 0.001 0.000 0.989 457 N HN -0.236 nan 8.380 nan 0.000 0.468 458 S N -1.094 114.590 115.700 -0.026 0.000 3.257 458 S HA -0.281 4.389 4.470 0.334 0.000 0.300 458 S C 1.062 175.680 174.600 0.030 0.000 1.275 458 S CA 1.254 59.495 58.200 0.069 0.000 1.023 458 S CB -1.348 61.918 63.200 0.110 0.000 1.180 458 S HN 0.765 nan 8.310 nan 0.000 0.660 459 R N -0.231 120.121 120.500 -0.246 0.000 2.112 459 R HA 0.248 4.789 4.340 0.334 0.000 0.216 459 R C -0.042 175.807 176.300 -0.752 0.000 1.080 459 R CA 0.962 56.699 56.100 -0.605 0.000 0.996 459 R CB 0.267 29.959 30.300 -1.012 0.000 0.902 459 R HN 0.390 nan 8.270 nan 0.000 0.449 460 F N 0.030 119.858 119.950 -0.204 0.000 2.561 460 F HA 0.504 5.241 4.527 0.351 0.000 0.321 460 F C -0.337 175.524 175.800 0.102 0.000 1.065 460 F CA -1.146 56.781 58.000 -0.123 0.000 0.934 460 F CB 1.739 40.581 39.000 -0.264 0.000 1.215 460 F HN -0.245 nan 8.300 nan 0.000 0.471 461 I N 2.187 123.073 120.570 0.527 0.000 2.439 461 I HA 0.564 4.934 4.170 0.334 0.000 0.283 461 I C -0.672 175.841 176.117 0.660 0.000 1.023 461 I CA -0.688 60.959 61.300 0.578 0.000 1.100 461 I CB 1.598 39.876 38.000 0.465 0.000 1.238 461 I HN 0.725 nan 8.210 nan 0.000 0.445 462 A N 6.820 130.022 122.820 0.637 0.000 2.312 462 A HA 0.886 5.407 4.320 0.334 0.000 0.326 462 A C -1.213 176.611 177.584 0.400 0.000 1.172 462 A CA -0.292 51.951 52.037 0.343 0.000 0.821 462 A CB 0.749 19.773 19.000 0.041 0.000 1.166 462 A HN 0.708 nan 8.150 nan 0.000 0.493 463 Y N -0.984 119.432 120.300 0.192 0.000 2.581 463 Y HA 0.667 5.424 4.550 0.345 0.000 0.337 463 Y C 0.125 176.091 175.900 0.110 0.000 1.108 463 Y CA -0.965 57.254 58.100 0.197 0.000 1.033 463 Y CB 0.733 39.344 38.460 0.251 0.000 1.318 463 Y HN 0.837 nan 8.280 nan 0.000 0.459 464 G N 1.938 110.873 108.800 0.225 0.000 2.349 464 G HA2 0.366 4.526 3.960 0.334 0.000 0.281 464 G HA3 0.366 4.526 3.960 0.334 0.000 0.281 464 G C -1.774 173.219 174.900 0.155 0.000 1.182 464 G CA -0.364 44.781 45.100 0.075 0.000 0.899 464 G HN 0.688 nan 8.290 nan 0.000 0.455 465 F N 6.476 126.321 119.950 -0.175 0.000 2.308 465 F HA 0.421 5.143 4.527 0.326 0.000 0.370 465 F C -1.831 173.858 175.800 -0.184 0.000 1.100 465 F CA -2.876 55.006 58.000 -0.196 0.000 1.108 465 F CB 1.906 40.541 39.000 -0.610 0.000 1.293 465 F HN 0.266 nan 8.300 nan 0.000 0.478 466 P HA 0.211 nan 4.420 nan 0.000 0.271 466 P C -1.439 175.496 177.300 -0.610 0.000 1.220 466 P CA 0.047 62.876 63.100 -0.452 0.000 0.768 466 P CB 1.402 32.870 31.700 -0.386 0.000 0.848 467 L N 0.405 121.450 121.223 -0.296 0.000 2.568 467 L HA 0.754 5.294 4.340 0.334 0.000 0.257 467 L C -1.025 175.814 176.870 -0.052 0.000 1.024 467 L CA -0.793 53.944 54.840 -0.171 0.000 0.854 467 L CB 1.916 43.976 42.059 0.002 0.000 1.460 467 L HN 0.130 nan 8.230 nan 0.000 0.409 468 K N 0.003 120.396 120.400 -0.011 0.000 2.469 468 K HA 0.319 4.840 4.320 0.334 0.000 0.254 468 K C 0.022 176.657 176.600 0.058 0.000 0.939 468 K CA -0.617 55.690 56.287 0.034 0.000 0.812 468 K CB 1.947 34.447 32.500 0.000 0.000 1.301 468 K HN 0.974 nan 8.250 nan 0.000 0.433 469 H N 0.999 120.082 119.070 0.022 0.000 2.363 469 H HA 0.027 4.783 4.556 0.333 0.000 0.301 469 H C 0.179 175.518 175.328 0.019 0.000 1.074 469 H CA 1.246 57.307 56.048 0.022 0.000 1.354 469 H CB 0.490 30.265 29.762 0.021 0.000 1.397 469 H HN 0.591 nan 8.280 nan 0.000 0.516 470 G N -0.142 108.186 108.800 -0.787 0.000 2.533 470 G HA2 0.213 4.373 3.960 0.334 0.000 0.304 470 G HA3 0.213 4.373 3.960 0.334 0.000 0.304 470 G C 0.358 175.119 174.900 -0.231 0.000 1.263 470 G CA -0.050 44.656 45.100 -0.658 0.000 0.964 470 G HN 0.351 nan 8.290 nan 0.000 0.479 471 E N -0.532 119.571 120.200 -0.161 0.000 2.118 471 E HA -0.176 4.374 4.350 0.334 0.000 0.195 471 E C 1.740 178.301 176.600 -0.065 0.000 0.992 471 E CA 1.814 58.161 56.400 -0.089 0.000 0.804 471 E CB 0.020 29.673 29.700 -0.078 0.000 0.741 471 E HN 0.456 nan 8.360 nan 0.000 0.458 472 T N -0.629 113.890 114.554 -0.059 0.000 3.251 472 T HA 0.142 4.692 4.350 0.334 0.000 0.259 472 T C -0.324 174.380 174.700 0.006 0.000 0.998 472 T CA -0.588 61.494 62.100 -0.031 0.000 0.905 472 T CB -0.043 68.808 68.868 -0.029 0.000 1.067 472 T HN -0.087 nan 8.240 nan 0.000 0.569 473 D N 1.536 121.952 120.400 0.026 0.000 2.399 473 D HA 0.354 5.194 4.640 0.334 0.000 0.241 473 D C 1.510 177.828 176.300 0.029 0.000 1.133 473 D CA 0.066 54.120 54.000 0.091 0.000 0.890 473 D CB 1.028 41.922 40.800 0.158 0.000 1.201 473 D HN 0.318 nan 8.370 nan 0.000 0.432 474 G N 0.773 109.591 108.800 0.029 0.000 2.572 474 G HA2 -0.091 4.069 3.960 0.334 0.000 0.216 474 G HA3 -0.091 4.069 3.960 0.334 0.000 0.216 474 G C -0.096 174.578 174.900 -0.377 0.000 1.133 474 G CA 0.504 45.510 45.100 -0.156 0.000 0.791 474 G HN 0.380 nan 8.290 nan 0.000 0.538 475 Y N -0.824 119.486 120.300 0.015 0.000 2.409 475 Y HA 0.528 5.278 4.550 0.333 0.000 0.343 475 Y C -0.355 175.545 175.900 -0.001 0.000 0.973 475 Y CA -1.006 57.095 58.100 0.002 0.000 1.064 475 Y CB 2.502 40.966 38.460 0.007 0.000 1.207 475 Y HN -0.201 nan 8.280 nan 0.000 0.452 476 V N 5.304 125.287 119.914 0.116 0.000 2.383 476 V HA 0.283 4.603 4.120 0.334 0.000 0.275 476 V C 0.088 176.235 176.094 0.089 0.000 1.036 476 V CA -0.703 61.625 62.300 0.047 0.000 0.889 476 V CB 0.691 32.494 31.823 -0.034 0.000 0.985 476 V HN 0.708 nan 8.190 nan 0.000 0.459 477 M N 3.800 123.436 119.600 0.061 0.000 2.369 477 M HA 0.512 5.193 4.480 0.334 0.000 0.291 477 M C -0.274 176.027 176.300 0.001 0.000 1.178 477 M CA -0.235 55.103 55.300 0.064 0.000 0.996 477 M CB 0.896 33.523 32.600 0.046 0.000 1.472 477 M HN 0.714 nan 8.290 nan 0.000 0.496 478 Q N 0.387 120.170 119.800 -0.029 0.000 2.275 478 Q HA 0.664 5.204 4.340 0.334 0.000 0.258 478 Q C -2.038 173.891 176.000 -0.118 0.000 0.960 478 Q CA -0.394 55.330 55.803 -0.131 0.000 0.801 478 Q CB 2.040 30.592 28.738 -0.310 0.000 1.302 478 Q HN 0.857 nan 8.270 nan 0.000 0.433 479 A N 4.283 127.048 122.820 -0.092 0.000 2.340 479 A HA 0.683 5.204 4.320 0.334 0.000 0.331 479 A C -0.695 176.797 177.584 -0.153 0.000 1.140 479 A CA -0.680 51.298 52.037 -0.098 0.000 0.801 479 A CB 0.895 19.886 19.000 -0.015 0.000 1.234 479 A HN 0.699 nan 8.150 nan 0.000 0.469 480 I N 2.602 123.056 120.570 -0.194 0.000 2.416 480 I HA 0.244 4.614 4.170 0.334 0.000 0.288 480 I C -0.190 175.853 176.117 -0.123 0.000 1.051 480 I CA 0.148 61.303 61.300 -0.240 0.000 1.375 480 I CB 0.102 37.859 38.000 -0.405 0.000 1.407 480 I HN 0.527 nan 8.210 nan 0.000 0.516 481 H N 4.603 123.365 119.070 -0.514 0.000 2.529 481 H HA 0.639 5.390 4.556 0.326 0.000 0.348 481 H C -0.637 174.338 175.328 -0.590 0.000 1.152 481 H CA -0.771 54.920 56.048 -0.596 0.000 1.202 481 H CB 2.116 31.366 29.762 -0.852 0.000 1.562 481 H HN 0.196 nan 8.280 nan 0.000 0.515 482 V N 3.377 123.245 119.914 -0.075 0.000 2.487 482 V HA 0.138 4.459 4.120 0.334 0.000 0.298 482 V C -1.022 175.295 176.094 0.372 0.000 1.028 482 V CA -0.928 61.460 62.300 0.147 0.000 0.860 482 V CB 1.520 33.422 31.823 0.132 0.000 0.991 482 V HN 0.644 nan 8.190 nan 0.000 0.427 483 Y N 3.534 124.044 120.300 0.350 0.000 2.335 483 Y HA 0.511 5.257 4.550 0.327 0.000 0.339 483 Y C -0.049 176.029 175.900 0.296 0.000 0.987 483 Y CA -0.902 57.388 58.100 0.316 0.000 1.140 483 Y CB 1.261 39.895 38.460 0.290 0.000 1.173 483 Y HN 0.701 nan 8.280 nan 0.000 0.486 484 D N 6.618 126.913 120.400 -0.175 0.000 2.347 484 D HA 0.096 4.936 4.640 0.334 0.000 0.235 484 D C 0.899 176.809 176.300 -0.650 0.000 1.149 484 D CA -0.150 53.724 54.000 -0.210 0.000 0.850 484 D CB 1.004 41.837 40.800 0.055 0.000 1.061 484 D HN 0.684 nan 8.370 nan 0.000 0.487 485 M N 1.940 121.214 119.600 -0.543 0.000 2.267 485 M HA -0.107 4.573 4.480 0.334 0.000 0.263 485 M C 0.258 176.360 176.300 -0.330 0.000 1.063 485 M CA 1.149 56.178 55.300 -0.452 0.000 1.090 485 M CB -0.365 32.048 32.600 -0.311 0.000 1.392 485 M HN 0.395 nan 8.290 nan 0.000 0.422 486 E N -0.068 119.955 120.200 -0.295 0.000 2.014 486 E HA 0.400 4.950 4.350 0.334 0.000 0.275 486 E C 0.862 177.380 176.600 -0.136 0.000 0.997 486 E CA 0.189 56.479 56.400 -0.183 0.000 0.804 486 E CB 0.394 30.000 29.700 -0.157 0.000 1.090 486 E HN 0.495 nan 8.360 nan 0.000 0.401 487 G N 3.747 112.478 108.800 -0.115 0.000 2.307 487 G HA2 -0.335 3.825 3.960 0.334 0.000 0.210 487 G HA3 -0.335 3.825 3.960 0.334 0.000 0.210 487 G C 0.567 175.406 174.900 -0.101 0.000 1.005 487 G CA -0.232 44.826 45.100 -0.069 0.000 0.634 487 G HN 0.567 nan 8.290 nan 0.000 0.496 488 R N 0.049 120.413 120.500 -0.227 0.000 3.422 488 R HA -0.180 4.360 4.340 0.334 0.000 0.267 488 R C 0.411 176.648 176.300 -0.105 0.000 1.074 488 R CA 1.694 57.632 56.100 -0.269 0.000 0.718 488 R CB -1.724 28.574 30.300 -0.002 0.000 1.157 488 R HN 0.862 nan 8.270 nan 0.000 0.440 489 K N 0.075 120.378 120.400 -0.162 0.000 2.208 489 K HA 0.615 5.135 4.320 0.334 0.000 0.247 489 K C -0.195 176.345 176.600 -0.101 0.000 0.953 489 K CA -0.917 55.288 56.287 -0.137 0.000 0.837 489 K CB 2.023 34.373 32.500 -0.250 0.000 1.131 489 K HN -0.005 nan 8.250 nan 0.000 0.431 490 I N 2.094 122.550 120.570 -0.190 0.000 2.385 490 I HA 0.349 4.719 4.170 0.334 0.000 0.294 490 I C -0.878 174.959 176.117 -0.466 0.000 0.988 490 I CA -0.856 60.386 61.300 -0.097 0.000 1.265 490 I CB 0.641 38.600 38.000 -0.068 0.000 1.388 490 I HN 0.456 nan 8.210 nan 0.000 0.480 491 F N 3.549 123.428 119.950 -0.119 0.000 2.551 491 F HA 0.603 5.329 4.527 0.332 0.000 0.316 491 F C 0.312 175.964 175.800 -0.245 0.000 1.089 491 F CA -0.824 57.087 58.000 -0.149 0.000 0.915 491 F CB 1.767 40.722 39.000 -0.074 0.000 1.186 491 F HN 0.376 nan 8.300 nan 0.000 0.456 492 A N 1.371 124.151 122.820 -0.067 0.000 2.302 492 A HA 0.619 5.139 4.320 0.334 0.000 0.295 492 A C 0.689 178.310 177.584 0.061 0.000 1.235 492 A CA 0.216 52.178 52.037 -0.126 0.000 0.876 492 A CB 0.347 19.233 19.000 -0.191 0.000 1.133 492 A HN 1.004 nan 8.150 nan 0.000 0.533 493 A N 2.329 125.139 122.820 -0.017 0.000 2.030 493 A HA 0.382 4.902 4.320 0.334 0.000 0.215 493 A C 1.217 178.755 177.584 -0.077 0.000 1.164 493 A CA 1.570 53.569 52.037 -0.062 0.000 0.697 493 A CB 0.003 18.876 19.000 -0.213 0.000 0.827 493 A HN 0.849 nan 8.150 nan 0.000 0.457 494 T N -0.958 113.521 114.554 -0.125 0.000 2.896 494 T HA 0.495 5.046 4.350 0.334 0.000 0.297 494 T C 0.051 174.643 174.700 -0.180 0.000 1.108 494 T CA 0.156 62.170 62.100 -0.144 0.000 1.004 494 T CB 1.247 69.952 68.868 -0.271 0.000 1.159 494 T HN 0.413 nan 8.240 nan 0.000 0.499 495 T N 0.752 115.196 114.554 -0.184 0.000 2.766 495 T HA 0.335 4.885 4.350 0.334 0.000 0.295 495 T C 0.594 175.220 174.700 -0.123 0.000 1.024 495 T CA -0.407 61.559 62.100 -0.224 0.000 1.018 495 T CB 0.354 69.128 68.868 -0.157 0.000 1.002 495 T HN 0.691 nan 8.240 nan 0.000 0.532 496 E N 0.272 120.416 120.200 -0.093 0.000 2.370 496 E HA 0.124 4.674 4.350 0.334 0.000 0.194 496 E C 0.515 177.103 176.600 -0.020 0.000 1.057 496 E CA -0.127 56.254 56.400 -0.032 0.000 1.011 496 E CB -0.397 29.305 29.700 0.003 0.000 1.132 496 E HN 0.660 nan 8.360 nan 0.000 0.450 497 N N 0.215 118.894 118.700 -0.035 0.000 2.373 497 N HA -0.048 4.893 4.740 0.334 0.000 0.181 497 N C 0.774 176.273 175.510 -0.019 0.000 1.082 497 N CA 0.359 53.391 53.050 -0.030 0.000 0.885 497 N CB 0.539 39.002 38.487 -0.041 0.000 0.977 497 N HN 0.095 nan 8.380 nan 0.000 0.462 498 S N -1.102 114.600 115.700 0.005 0.000 4.185 498 S HA 0.168 4.838 4.470 0.334 0.000 0.278 498 S C -1.367 173.310 174.600 0.128 0.000 1.080 498 S CA -0.784 57.446 58.200 0.050 0.000 1.356 498 S CB 1.051 64.281 63.200 0.049 0.000 1.483 498 S HN 0.064 nan 8.310 nan 0.000 0.715 499 H N 1.698 120.829 119.070 0.102 0.000 2.860 499 H HA 0.503 5.263 4.556 0.341 0.000 0.312 499 H C -1.737 173.760 175.328 0.281 0.000 0.995 499 H CA -0.303 55.841 56.048 0.160 0.000 1.311 499 H CB 0.699 30.567 29.762 0.176 0.000 1.478 499 H HN 0.548 nan 8.280 nan 0.000 0.508 500 D N 5.591 125.998 120.400 0.011 0.000 2.192 500 D HA 0.236 5.076 4.640 0.334 0.000 0.246 500 D C -0.208 176.172 176.300 0.134 0.000 1.042 500 D CA -0.026 54.052 54.000 0.128 0.000 0.847 500 D CB 1.994 42.764 40.800 -0.052 0.000 1.186 500 D HN 0.595 nan 8.370 nan 0.000 0.461 501 Y N -2.032 118.263 120.300 -0.009 0.000 2.905 501 Y HA 0.542 5.329 4.550 0.396 0.000 0.322 501 Y C -0.072 175.878 175.900 0.083 0.000 1.455 501 Y CA -1.476 56.622 58.100 -0.003 0.000 1.083 501 Y CB 0.507 38.987 38.460 0.033 0.000 1.473 501 Y HN 0.364 nan 8.280 nan 0.000 0.449 502 A N 0.238 123.116 122.820 0.096 0.000 2.640 502 A HA -0.139 4.382 4.320 0.334 0.000 0.300 502 A C -2.560 175.020 177.584 -0.006 0.000 1.499 502 A CA 0.387 52.431 52.037 0.012 0.000 0.759 502 A CB -2.556 16.398 19.000 -0.077 0.000 1.048 502 A HN 0.575 nan 8.150 nan 0.000 0.450 503 P HA 0.444 nan 4.420 nan 0.000 0.269 503 P C -0.236 177.043 177.300 -0.036 0.000 1.209 503 P CA 0.843 63.930 63.100 -0.021 0.000 0.776 503 P CB 1.283 32.934 31.700 -0.082 0.000 0.876 504 A N 3.096 125.871 122.820 -0.075 0.000 2.465 504 A HA 0.599 5.119 4.320 0.334 0.000 0.292 504 A C -1.030 176.545 177.584 -0.015 0.000 1.041 504 A CA -0.566 51.462 52.037 -0.015 0.000 0.718 504 A CB 0.545 19.558 19.000 0.022 0.000 1.266 504 A HN 0.311 nan 8.150 nan 0.000 0.403 505 F N 1.760 121.815 119.950 0.176 0.000 2.371 505 F HA 0.408 5.249 4.527 0.524 0.000 0.329 505 F C 1.017 176.920 175.800 0.173 0.000 1.107 505 F CA 0.035 58.155 58.000 0.200 0.000 1.137 505 F CB 1.119 40.225 39.000 0.178 0.000 1.214 505 F HN 0.727 nan 8.300 nan 0.000 0.536 506 D N 1.053 121.709 120.400 0.426 0.000 2.383 506 D HA 0.277 5.118 4.640 0.334 0.000 0.248 506 D C 0.877 177.310 176.300 0.222 0.000 1.170 506 D CA -0.319 53.833 54.000 0.252 0.000 0.977 506 D CB 0.469 41.447 40.800 0.298 0.000 1.120 506 D HN 0.534 nan 8.370 nan 0.000 0.481 507 A N 0.408 123.313 122.820 0.142 0.000 1.917 507 A HA -0.214 4.306 4.320 0.334 0.000 0.219 507 A C 1.391 179.049 177.584 0.122 0.000 1.182 507 A CA 1.704 53.811 52.037 0.117 0.000 0.633 507 A CB -0.632 18.415 19.000 0.079 0.000 0.819 507 A HN 0.575 nan 8.150 nan 0.000 0.448 508 D N -0.279 120.200 120.400 0.133 0.000 2.336 508 D HA 0.181 5.022 4.640 0.334 0.000 0.229 508 D C 0.412 176.817 176.300 0.175 0.000 1.061 508 D CA 0.831 54.907 54.000 0.127 0.000 0.875 508 D CB -0.090 40.774 40.800 0.106 0.000 0.904 508 D HN 0.253 nan 8.370 nan 0.000 0.525 509 S N -0.447 115.379 115.700 0.210 0.000 3.641 509 S HA -0.230 4.440 4.470 0.334 0.000 0.346 509 S C 1.234 176.039 174.600 0.341 0.000 1.074 509 S CA 0.626 58.976 58.200 0.250 0.000 1.026 509 S CB -1.101 62.228 63.200 0.216 0.000 0.908 509 S HN 0.462 nan 8.310 nan 0.000 0.479 510 K N -0.347 120.228 120.400 0.292 0.000 2.367 510 K HA 0.172 4.692 4.320 0.334 0.000 0.195 510 K C 0.018 176.743 176.600 0.209 0.000 1.060 510 K CA 0.297 56.740 56.287 0.261 0.000 1.022 510 K CB 0.265 32.858 32.500 0.155 0.000 0.894 510 K HN 0.457 nan 8.250 nan 0.000 0.540 511 N N 0.522 119.367 118.700 0.241 0.000 2.235 511 N HA 0.273 5.214 4.740 0.334 0.000 0.293 511 N C -1.979 173.640 175.510 0.182 0.000 1.083 511 N CA -0.658 52.467 53.050 0.126 0.000 0.801 511 N CB 2.170 40.666 38.487 0.015 0.000 1.559 511 N HN -0.135 nan 8.380 nan 0.000 0.472 512 L N 2.635 123.849 121.223 -0.015 0.000 2.280 512 L HA 0.528 5.068 4.340 0.334 0.000 0.287 512 L C -1.603 175.218 176.870 -0.081 0.000 1.023 512 L CA -0.416 54.345 54.840 -0.131 0.000 0.819 512 L CB -0.118 41.778 42.059 -0.272 0.000 1.212 512 L HN 0.492 nan 8.230 nan 0.000 0.420 513 Y N 5.245 125.514 120.300 -0.052 0.000 2.419 513 Y HA 0.659 5.345 4.550 0.226 0.000 0.328 513 Y C -0.315 175.620 175.900 0.058 0.000 1.162 513 Y CA -0.131 57.958 58.100 -0.018 0.000 1.174 513 Y CB 1.437 39.855 38.460 -0.069 0.000 1.228 513 Y HN 0.625 nan 8.280 nan 0.000 0.473 514 Y N -1.452 118.864 120.300 0.025 0.000 2.741 514 Y HA 0.710 5.195 4.550 -0.108 0.000 0.339 514 Y C -2.460 173.378 175.900 -0.103 0.000 1.226 514 Y CA -1.884 56.163 58.100 -0.088 0.000 1.072 514 Y CB 0.726 39.111 38.460 -0.125 0.000 1.331 514 Y HN 0.410 nan 8.280 nan 0.000 0.453 515 L N 1.882 122.966 121.223 -0.232 0.000 2.333 515 L HA 0.884 5.424 4.340 0.334 0.000 0.269 515 L C -0.551 176.139 176.870 -0.300 0.000 1.010 515 L CA -0.906 53.677 54.840 -0.428 0.000 0.818 515 L CB 2.220 43.775 42.059 -0.840 0.000 1.306 515 L HN 0.814 nan 8.230 nan 0.000 0.430 516 S N -0.572 115.126 115.700 -0.003 0.000 2.579 516 S HA 0.476 5.146 4.470 0.334 0.000 0.272 516 S C -1.235 173.500 174.600 0.225 0.000 1.141 516 S CA -0.503 57.834 58.200 0.228 0.000 0.843 516 S CB 1.524 64.802 63.200 0.130 0.000 1.122 516 S HN 0.343 nan 8.310 nan 0.000 0.468 517 Y N 1.171 121.696 120.300 0.374 0.000 2.813 517 Y HA 0.353 5.117 4.550 0.356 0.000 0.378 517 Y C 1.410 177.364 175.900 0.090 0.000 1.023 517 Y CA -0.371 57.857 58.100 0.212 0.000 1.567 517 Y CB -0.056 38.482 38.460 0.130 0.000 1.492 517 Y HN 0.522 nan 8.280 nan 0.000 0.533 518 R N -1.098 119.538 120.500 0.226 0.000 2.308 518 R HA 0.154 4.694 4.340 0.334 0.000 0.202 518 R C 0.563 176.922 176.300 0.099 0.000 0.898 518 R CA 0.196 56.367 56.100 0.120 0.000 1.046 518 R CB 0.452 30.804 30.300 0.087 0.000 1.026 518 R HN 0.043 nan 8.270 nan 0.000 0.512 519 S N 2.138 117.923 115.700 0.142 0.000 4.120 519 S HA 0.205 4.875 4.470 0.334 0.000 0.196 519 S C 0.112 174.742 174.600 0.051 0.000 1.447 519 S CA -0.186 58.077 58.200 0.105 0.000 0.939 519 S CB -0.226 63.045 63.200 0.119 0.000 1.496 519 S HN 0.196 nan 8.310 nan 0.000 0.460 520 L N 2.671 123.865 121.223 -0.048 0.000 2.584 520 L HA 0.181 4.722 4.340 0.334 0.000 0.272 520 L C 0.275 177.202 176.870 0.095 0.000 1.195 520 L CA 0.231 54.986 54.840 -0.142 0.000 0.920 520 L CB -0.007 41.835 42.059 -0.361 0.000 1.173 520 L HN 0.329 nan 8.230 nan 0.000 0.489 521 D N 5.166 125.729 120.400 0.273 0.000 2.591 521 D HA 0.288 5.129 4.640 0.334 0.000 0.222 521 D C -2.667 173.829 176.300 0.327 0.000 1.360 521 D CA -1.135 53.010 54.000 0.242 0.000 0.967 521 D CB 2.271 43.162 40.800 0.151 0.000 1.456 521 D HN 0.095 nan 8.370 nan 0.000 0.588 522 P HA 0.312 nan 4.420 nan 0.000 0.274 522 P C -0.584 176.808 177.300 0.152 0.000 1.231 522 P CA -0.436 62.717 63.100 0.088 0.000 0.790 522 P CB 1.093 32.745 31.700 -0.079 0.000 0.951 523 S N 2.456 118.234 115.700 0.129 0.000 2.472 523 S HA 0.544 5.214 4.470 0.334 0.000 0.303 523 S C -2.423 172.224 174.600 0.079 0.000 1.099 523 S CA -1.262 57.005 58.200 0.112 0.000 1.077 523 S CB 1.439 64.661 63.200 0.036 0.000 1.031 523 S HN 0.439 nan 8.310 nan 0.000 0.487 524 P HA 0.189 nan 4.420 nan 0.000 0.284 524 P C -0.998 176.067 177.300 -0.391 0.000 1.253 524 P CA -0.480 62.331 63.100 -0.482 0.000 0.800 524 P CB 0.711 32.216 31.700 -0.324 0.000 0.961 525 D N 2.640 122.725 120.400 -0.525 0.000 2.382 525 D HA 0.022 4.863 4.640 0.334 0.000 0.245 525 D C 0.834 176.971 176.300 -0.271 0.000 1.120 525 D CA -0.141 53.657 54.000 -0.336 0.000 0.890 525 D CB 0.854 41.441 40.800 -0.355 0.000 1.201 525 D HN 0.140 nan 8.370 nan 0.000 0.433 526 R N 2.668 123.061 120.500 -0.178 0.000 2.317 526 R HA 0.089 4.630 4.340 0.334 0.000 0.208 526 R C 0.972 177.210 176.300 -0.103 0.000 0.914 526 R CA 0.144 56.170 56.100 -0.124 0.000 1.060 526 R CB 0.233 30.484 30.300 -0.081 0.000 1.015 526 R HN 0.322 nan 8.270 nan 0.000 0.498 527 V N -0.741 119.098 119.914 -0.126 0.000 3.058 527 V HA 0.157 4.477 4.120 0.334 0.000 0.233 527 V C 0.703 176.736 176.094 -0.102 0.000 1.255 527 V CA 0.351 62.596 62.300 -0.091 0.000 1.267 527 V CB 0.783 32.561 31.823 -0.075 0.000 1.049 527 V HN -0.220 nan 8.190 nan 0.000 0.486 528 V N 1.207 121.012 119.914 -0.181 0.000 2.850 528 V HA 0.451 4.771 4.120 0.334 0.000 0.315 528 V C -0.310 175.678 176.094 -0.177 0.000 1.064 528 V CA -0.683 61.512 62.300 -0.175 0.000 0.979 528 V CB 2.141 33.738 31.823 -0.377 0.000 1.039 528 V HN 0.285 nan 8.190 nan 0.000 0.452 529 L N 4.473 125.640 121.223 -0.093 0.000 2.433 529 L HA 0.402 4.942 4.340 0.334 0.000 0.284 529 L C -0.055 176.748 176.870 -0.112 0.000 1.120 529 L CA 1.058 55.848 54.840 -0.084 0.000 0.879 529 L CB -1.118 40.952 42.059 0.018 0.000 1.232 529 L HN 0.876 nan 8.230 nan 0.000 0.454 530 N N 3.237 121.764 118.700 -0.288 0.000 3.043 530 N HA 0.404 5.345 4.740 0.334 0.000 0.243 530 N C -1.821 173.368 175.510 -0.534 0.000 1.347 530 N CA -0.546 52.370 53.050 -0.223 0.000 0.896 530 N CB 0.938 39.295 38.487 -0.217 0.000 1.501 530 N HN 0.244 nan 8.380 nan 0.000 0.504 531 F N 0.512 120.374 119.950 -0.147 0.000 2.613 531 F HA 0.619 5.346 4.527 0.333 0.000 0.314 531 F C 0.011 175.632 175.800 -0.299 0.000 1.075 531 F CA -0.267 57.614 58.000 -0.199 0.000 0.945 531 F CB 2.191 41.071 39.000 -0.202 0.000 1.310 531 F HN 0.535 nan 8.300 nan 0.000 0.467 532 S N 0.033 115.623 115.700 -0.184 0.000 2.565 532 S HA 0.637 5.307 4.470 0.334 0.000 0.269 532 S C -1.501 172.889 174.600 -0.351 0.000 1.153 532 S CA -0.943 57.051 58.200 -0.343 0.000 0.835 532 S CB 0.907 64.007 63.200 -0.166 0.000 1.122 532 S HN 0.365 nan 8.310 nan 0.000 0.462 533 F N 2.235 122.194 119.950 0.015 0.000 2.423 533 F HA 0.391 5.121 4.527 0.338 0.000 0.356 533 F C 1.582 177.371 175.800 -0.019 0.000 1.170 533 F CA -0.449 57.555 58.000 0.007 0.000 1.163 533 F CB 0.647 39.641 39.000 -0.009 0.000 1.318 533 F HN 0.643 nan 8.300 nan 0.000 0.569 534 E N 1.756 122.035 120.200 0.131 0.000 2.162 534 E HA 0.041 4.592 4.350 0.334 0.000 0.193 534 E C 0.699 177.347 176.600 0.080 0.000 0.953 534 E CA 0.697 57.135 56.400 0.063 0.000 0.849 534 E CB 0.467 30.181 29.700 0.024 0.000 0.810 534 E HN 0.359 nan 8.360 nan 0.000 0.470 535 V N 0.523 120.499 119.914 0.103 0.000 2.271 535 V HA 0.324 4.644 4.120 0.334 0.000 0.259 535 V C 0.437 176.596 176.094 0.108 0.000 1.030 535 V CA -0.541 61.802 62.300 0.072 0.000 0.957 535 V CB 0.548 32.398 31.823 0.046 0.000 1.186 535 V HN 0.015 nan 8.190 nan 0.000 0.471 536 V N -0.699 119.313 119.914 0.164 0.000 3.166 536 V HA 0.485 4.805 4.120 0.334 0.000 0.332 536 V C 0.540 176.772 176.094 0.230 0.000 1.434 536 V CA 0.499 62.910 62.300 0.186 0.000 1.121 536 V CB 0.244 32.174 31.823 0.178 0.000 1.062 536 V HN 0.586 nan 8.190 nan 0.000 0.489 537 S N 1.843 117.634 115.700 0.152 0.000 2.513 537 S HA 0.714 5.384 4.470 0.334 0.000 0.276 537 S C -0.444 174.222 174.600 0.110 0.000 1.254 537 S CA -0.325 57.905 58.200 0.050 0.000 1.053 537 S CB 1.111 64.242 63.200 -0.116 0.000 0.958 537 S HN 0.707 nan 8.310 nan 0.000 0.491 538 K N 5.169 125.670 120.400 0.168 0.000 2.501 538 K HA 0.623 5.143 4.320 0.334 0.000 0.252 538 K C -2.982 173.602 176.600 -0.025 0.000 0.934 538 K CA -1.925 54.417 56.287 0.093 0.000 0.797 538 K CB 2.016 34.520 32.500 0.008 0.000 1.270 538 K HN 0.315 nan 8.250 nan 0.000 0.431 539 P HA 0.352 nan 4.420 nan 0.000 0.286 539 P C -1.075 175.897 177.300 -0.547 0.000 1.261 539 P CA -0.300 62.629 63.100 -0.285 0.000 0.821 539 P CB 0.709 32.232 31.700 -0.296 0.000 1.013 540 F N 0.526 120.122 119.950 -0.592 0.000 2.631 540 F HA 0.632 5.330 4.527 0.285 0.000 0.328 540 F C 0.111 175.540 175.800 -0.618 0.000 1.067 540 F CA -0.927 56.687 58.000 -0.644 0.000 0.969 540 F CB 1.909 40.366 39.000 -0.906 0.000 1.332 540 F HN 0.069 nan 8.300 nan 0.000 0.490 541 V N 2.268 122.045 119.914 -0.228 0.000 3.012 541 V HA 0.655 4.975 4.120 0.334 0.000 0.307 541 V C -1.613 174.409 176.094 -0.120 0.000 1.166 541 V CA -0.647 61.447 62.300 -0.343 0.000 0.974 541 V CB 2.334 33.755 31.823 -0.669 0.000 1.040 541 V HN 0.594 nan 8.190 nan 0.000 0.428 542 I N 7.297 127.795 120.570 -0.120 0.000 2.476 542 I HA 0.403 4.773 4.170 0.334 0.000 0.281 542 I C -2.535 173.529 176.117 -0.088 0.000 1.040 542 I CA -1.770 59.501 61.300 -0.048 0.000 1.094 542 I CB 2.647 40.655 38.000 0.013 0.000 1.219 542 I HN 0.483 nan 8.210 nan 0.000 0.450 543 P HA 0.108 nan 4.420 nan 0.000 0.271 543 P C 0.552 177.835 177.300 -0.029 0.000 1.226 543 P CA -0.050 63.024 63.100 -0.043 0.000 0.765 543 P CB 1.205 32.883 31.700 -0.037 0.000 0.835 544 L N 2.872 124.101 121.223 0.010 0.000 2.465 544 L HA 0.088 4.628 4.340 0.334 0.000 0.224 544 L C 1.126 178.043 176.870 0.080 0.000 1.145 544 L CA 0.731 55.571 54.840 -0.000 0.000 0.834 544 L CB -0.296 41.761 42.059 -0.003 0.000 0.944 544 L HN 0.349 nan 8.230 nan 0.000 0.451 545 I N 0.608 121.213 120.570 0.058 0.000 2.354 545 I HA 0.274 4.644 4.170 0.334 0.000 0.286 545 I C -2.258 173.850 176.117 -0.014 0.000 1.007 545 I CA -2.127 59.184 61.300 0.019 0.000 1.167 545 I CB 1.474 39.459 38.000 -0.026 0.000 1.320 545 I HN -0.270 nan 8.210 nan 0.000 0.458 546 P HA 0.105 nan 4.420 nan 0.000 0.265 546 P C 0.896 178.179 177.300 -0.030 0.000 1.193 546 P CA 0.626 63.705 63.100 -0.035 0.000 0.765 546 P CB 0.725 32.402 31.700 -0.039 0.000 0.823 547 G N 1.523 110.305 108.800 -0.029 0.000 2.254 547 G HA2 -0.238 3.923 3.960 0.334 0.000 0.225 547 G HA3 -0.238 3.923 3.960 0.334 0.000 0.225 547 G C 0.487 175.374 174.900 -0.021 0.000 1.003 547 G CA 0.138 45.224 45.100 -0.024 0.000 0.622 547 G HN 0.754 nan 8.290 nan 0.000 0.507 548 S N 3.191 118.878 115.700 -0.021 0.000 2.523 548 S HA 0.615 5.285 4.470 0.334 0.000 0.275 548 S C -1.493 173.097 174.600 -0.017 0.000 1.281 548 S CA -0.476 57.714 58.200 -0.016 0.000 1.050 548 S CB 1.272 64.464 63.200 -0.013 0.000 0.937 548 S HN 0.448 nan 8.310 nan 0.000 0.492 549 P HA 0.174 nan 4.420 nan 0.000 0.278 549 P C -0.736 176.552 177.300 -0.019 0.000 1.258 549 P CA -0.833 62.258 63.100 -0.015 0.000 0.811 549 P CB 0.422 32.117 31.700 -0.008 0.000 1.063 550 N N 2.373 121.056 118.700 -0.027 0.000 2.315 550 N HA -0.060 4.881 4.740 0.334 0.000 0.270 550 N C -1.120 174.382 175.510 -0.013 0.000 1.329 550 N CA -0.954 52.070 53.050 -0.044 0.000 0.860 550 N CB 0.083 38.543 38.487 -0.044 0.000 1.095 550 N HN 0.248 nan 8.380 nan 0.000 0.487 551 P HA -0.130 nan 4.420 nan 0.000 0.220 551 P C 0.958 178.304 177.300 0.076 0.000 1.148 551 P CA 1.389 64.521 63.100 0.053 0.000 0.803 551 P CB -0.117 31.643 31.700 0.101 0.000 0.782 552 T N -3.141 111.463 114.554 0.084 0.000 3.072 552 T HA 0.029 4.579 4.350 0.334 0.000 0.266 552 T C 1.687 176.434 174.700 0.079 0.000 1.127 552 T CA 0.609 62.778 62.100 0.115 0.000 1.107 552 T CB -0.615 68.334 68.868 0.134 0.000 0.910 552 T HN 0.144 nan 8.240 nan 0.000 0.513 553 K N 0.782 121.206 120.400 0.041 0.000 2.432 553 K HA 0.277 4.798 4.320 0.334 0.000 0.196 553 K C 0.571 177.188 176.600 0.027 0.000 1.038 553 K CA 0.142 56.446 56.287 0.028 0.000 0.986 553 K CB -0.394 32.111 32.500 0.010 0.000 0.782 553 K HN 0.361 nan 8.250 nan 0.000 0.485 554 L N 0.562 121.805 121.223 0.032 0.000 3.843 554 L HA -0.208 4.332 4.340 0.334 0.000 0.411 554 L C -0.327 176.552 176.870 0.016 0.000 1.205 554 L CA -0.284 54.571 54.840 0.025 0.000 0.945 554 L CB -2.051 40.020 42.059 0.021 0.000 1.929 554 L HN -0.087 nan 8.230 nan 0.000 0.934 555 V N 0.729 120.651 119.914 0.014 0.000 2.540 555 V HA 0.058 4.378 4.120 0.334 0.000 0.297 555 V C -1.198 174.901 176.094 0.008 0.000 1.024 555 V CA -0.583 61.722 62.300 0.008 0.000 1.105 555 V CB 0.377 32.203 31.823 0.005 0.000 0.938 555 V HN 0.092 nan 8.190 nan 0.000 0.482 556 P HA 0.063 nan 4.420 nan 0.000 0.264 556 P C 0.675 177.977 177.300 0.004 0.000 1.193 556 P CA -0.188 62.915 63.100 0.005 0.000 0.763 556 P CB 0.477 32.178 31.700 0.003 0.000 0.810 557 R N 3.494 123.997 120.500 0.005 0.000 2.091 557 R HA -0.185 4.356 4.340 0.334 0.000 0.238 557 R C 1.717 178.018 176.300 0.001 0.000 1.136 557 R CA 2.594 58.697 56.100 0.004 0.000 0.959 557 R CB -1.464 28.839 30.300 0.005 0.000 0.856 557 R HN 0.443 nan 8.270 nan 0.000 0.437 558 S N -0.619 115.081 115.700 0.001 0.000 2.507 558 S HA -0.059 4.611 4.470 0.334 0.000 0.235 558 S C 1.600 176.200 174.600 -0.001 0.000 0.988 558 S CA 1.157 59.356 58.200 -0.000 0.000 0.944 558 S CB -0.183 63.017 63.200 -0.000 0.000 0.762 558 S HN 0.481 nan 8.310 nan 0.000 0.526 559 M N 1.449 121.049 119.600 -0.001 0.000 2.404 559 M HA 0.237 4.917 4.480 0.334 0.000 0.271 559 M C -0.636 175.663 176.300 -0.002 0.000 1.128 559 M CA 0.079 55.378 55.300 -0.001 0.000 0.982 559 M CB 0.814 33.414 32.600 -0.000 0.000 1.445 559 M HN 0.106 nan 8.290 nan 0.000 0.495 560 T N 0.394 114.946 114.554 -0.003 0.000 2.848 560 T HA 0.296 4.846 4.350 0.334 0.000 0.285 560 T C 0.051 174.747 174.700 -0.006 0.000 0.995 560 T CA -0.749 61.349 62.100 -0.004 0.000 0.970 560 T CB 1.691 70.557 68.868 -0.003 0.000 0.976 560 T HN 0.215 nan 8.240 nan 0.000 0.441 561 S N 2.741 118.436 115.700 -0.008 0.000 2.485 561 S HA 0.360 5.030 4.470 0.334 0.000 0.312 561 S C 0.314 174.906 174.600 -0.013 0.000 1.102 561 S CA -0.777 57.417 58.200 -0.010 0.000 1.066 561 S CB 0.245 63.438 63.200 -0.011 0.000 1.102 561 S HN 0.556 nan 8.310 nan 0.000 0.519 562 E N 2.654 122.846 120.200 -0.013 0.000 4.395 562 E HA 0.638 5.188 4.350 0.334 0.000 0.464 562 E C 1.147 177.733 176.600 -0.024 0.000 1.522 562 E CA 0.809 57.199 56.400 -0.017 0.000 2.845 562 E CB -0.405 29.286 29.700 -0.015 0.000 1.408 562 E HN 1.211 nan 8.360 nan 0.000 0.692 563 A N -1.675 121.127 122.820 -0.031 0.000 6.215 563 A HA 0.303 4.823 4.320 0.334 0.000 0.239 563 A C 0.656 178.211 177.584 -0.048 0.000 2.274 563 A CA 0.704 52.717 52.037 -0.040 0.000 0.700 563 A CB -1.993 16.988 19.000 -0.031 0.000 0.946 563 A HN 1.792 nan 8.150 nan 0.000 0.354 564 G N -1.625 107.144 108.800 -0.051 0.000 2.712 564 G HA2 0.482 4.642 3.960 0.334 0.000 0.686 564 G HA3 0.482 4.642 3.960 0.334 0.000 0.686 564 G C -0.651 174.199 174.900 -0.082 0.000 1.181 564 G CA 0.997 46.066 45.100 -0.052 0.000 0.762 564 G HN 1.970 nan 8.290 nan 0.000 0.641 565 E N 0.185 120.346 120.200 -0.065 0.000 2.232 565 E HA 0.579 5.129 4.350 0.334 0.000 0.265 565 E C -0.055 176.527 176.600 -0.030 0.000 1.001 565 E CA -0.990 55.363 56.400 -0.079 0.000 0.870 565 E CB 0.950 30.634 29.700 -0.026 0.000 1.175 565 E HN 0.507 nan 8.360 nan 0.000 0.407 566 Y N 1.210 121.509 120.300 -0.003 0.000 2.805 566 Y HA -0.014 4.737 4.550 0.334 0.000 0.337 566 Y C 0.352 176.212 175.900 -0.065 0.000 1.252 566 Y CA 0.495 58.583 58.100 -0.019 0.000 1.515 566 Y CB 0.567 39.066 38.460 0.065 0.000 1.305 566 Y HN 0.436 nan 8.280 nan 0.000 0.600 567 D N 3.394 123.831 120.400 0.061 0.000 2.354 567 D HA 0.139 4.979 4.640 0.334 0.000 0.230 567 D C -0.537 175.646 176.300 -0.194 0.000 1.361 567 D CA -0.316 53.645 54.000 -0.066 0.000 0.992 567 D CB 0.546 41.326 40.800 -0.033 0.000 1.409 567 D HN 0.495 nan 8.370 nan 0.000 0.573 568 L N 2.026 122.982 121.223 -0.444 0.000 2.591 568 L HA 0.233 4.773 4.340 0.334 0.000 0.228 568 L C 0.433 177.101 176.870 -0.336 0.000 1.133 568 L CA -0.041 54.435 54.840 -0.606 0.000 0.880 568 L CB -0.505 40.816 42.059 -1.230 0.000 1.033 568 L HN 0.160 nan 8.230 nan 0.000 0.450 569 N N 0.707 119.328 118.700 -0.132 0.000 2.518 569 N HA -0.001 4.939 4.740 0.334 0.000 0.266 569 N C 0.032 175.522 175.510 -0.032 0.000 1.196 569 N CA -0.084 53.015 53.050 0.082 0.000 0.947 569 N CB 0.302 38.848 38.487 0.099 0.000 1.098 569 N HN 0.049 nan 8.380 nan 0.000 0.450 570 D N 0.973 121.351 120.400 -0.037 0.000 2.737 570 D HA -0.226 4.615 4.640 0.334 0.000 0.233 570 D C 1.094 177.131 176.300 -0.438 0.000 1.155 570 D CA 0.647 54.432 54.000 -0.358 0.000 0.667 570 D CB -0.843 39.772 40.800 -0.308 0.000 1.060 570 D HN 0.683 nan 8.370 nan 0.000 0.427 571 M N -2.080 117.398 119.600 -0.204 0.000 2.374 571 M HA -0.160 4.521 4.480 0.334 0.000 0.264 571 M C 2.141 178.363 176.300 -0.130 0.000 1.067 571 M CA 1.076 56.284 55.300 -0.152 0.000 1.103 571 M CB -0.759 31.784 32.600 -0.095 0.000 1.402 571 M HN 0.181 nan 8.290 nan 0.000 0.444 572 Y N 0.947 121.221 120.300 -0.043 0.000 2.293 572 Y HA 0.095 4.838 4.550 0.322 0.000 0.291 572 Y C 1.847 177.735 175.900 -0.019 0.000 1.137 572 Y CA 0.847 58.921 58.100 -0.043 0.000 1.202 572 Y CB -1.112 37.316 38.460 -0.054 0.000 0.990 572 Y HN 0.161 nan 8.280 nan 0.000 0.537 573 K N 0.574 120.691 120.400 -0.472 0.000 2.209 573 K HA -0.048 4.473 4.320 0.334 0.000 0.204 573 K C 1.876 178.406 176.600 -0.118 0.000 1.048 573 K CA 1.246 57.379 56.287 -0.258 0.000 0.940 573 K CB -0.151 32.134 32.500 -0.358 0.000 0.729 573 K HN 0.397 nan 8.250 nan 0.000 0.451 574 R N 1.114 121.543 120.500 -0.118 0.000 2.276 574 R HA 0.033 4.573 4.340 0.334 0.000 0.196 574 R C 0.676 176.972 176.300 -0.006 0.000 0.961 574 R CA 0.093 56.157 56.100 -0.060 0.000 1.024 574 R CB 0.182 30.437 30.300 -0.074 0.000 0.940 574 R HN 0.119 nan 8.270 nan 0.000 0.480 575 S N 0.600 116.320 115.700 0.035 0.000 2.558 575 S HA 0.062 4.732 4.470 0.334 0.000 0.287 575 S C 0.123 174.799 174.600 0.127 0.000 1.321 575 S CA -0.411 57.855 58.200 0.111 0.000 1.048 575 S CB 1.481 64.784 63.200 0.171 0.000 0.844 575 S HN 0.073 nan 8.310 nan 0.000 0.512 576 S N 2.876 118.662 115.700 0.142 0.000 2.548 576 S HA 0.668 5.338 4.470 0.334 0.000 0.276 576 S C -3.029 171.592 174.600 0.034 0.000 1.129 576 S CA -1.522 56.732 58.200 0.090 0.000 0.931 576 S CB 1.701 64.900 63.200 -0.002 0.000 1.068 576 S HN 0.730 nan 8.310 nan 0.000 0.480 577 P HA 0.380 nan 4.420 nan 0.000 0.279 577 P C -0.757 176.302 177.300 -0.401 0.000 1.252 577 P CA -0.650 62.070 63.100 -0.633 0.000 0.811 577 P CB 0.825 32.101 31.700 -0.706 0.000 1.035 578 I N 0.943 121.233 120.570 -0.467 0.000 2.392 578 I HA 0.265 4.636 4.170 0.334 0.000 0.295 578 I C 0.704 176.639 176.117 -0.303 0.000 0.985 578 I CA -0.838 60.271 61.300 -0.319 0.000 1.221 578 I CB 0.813 38.611 38.000 -0.337 0.000 1.366 578 I HN 0.156 nan 8.210 nan 0.000 0.467 579 N N 5.921 124.524 118.700 -0.162 0.000 2.947 579 N HA 0.019 4.960 4.740 0.334 0.000 0.289 579 N C -0.860 174.633 175.510 -0.029 0.000 1.364 579 N CA 0.248 53.267 53.050 -0.053 0.000 1.062 579 N CB -0.335 38.197 38.487 0.076 0.000 1.388 579 N HN 0.322 nan 8.380 nan 0.000 0.560 580 V N 0.793 120.596 119.914 -0.185 0.000 2.435 580 V HA 0.128 4.448 4.120 0.334 0.000 0.290 580 V C 0.246 176.337 176.094 -0.005 0.000 1.030 580 V CA -1.073 61.149 62.300 -0.129 0.000 0.881 580 V CB 1.981 33.590 31.823 -0.356 0.000 0.983 580 V HN 0.129 nan 8.190 nan 0.000 0.445 581 D N 5.349 125.797 120.400 0.080 0.000 2.472 581 D HA 0.172 5.013 4.640 0.334 0.000 0.237 581 D C -2.246 174.161 176.300 0.178 0.000 1.141 581 D CA -0.730 53.334 54.000 0.106 0.000 0.875 581 D CB 0.745 41.612 40.800 0.112 0.000 1.192 581 D HN 0.327 nan 8.370 nan 0.000 0.450 582 P HA 0.279 nan 4.420 nan 0.000 0.269 582 P C 0.103 177.408 177.300 0.009 0.000 1.215 582 P CA -0.065 63.096 63.100 0.102 0.000 0.780 582 P CB 0.914 32.657 31.700 0.073 0.000 0.898 583 G N 0.424 109.057 108.800 -0.278 0.000 2.635 583 G HA2 0.355 4.515 3.960 0.334 0.000 0.194 583 G HA3 0.355 4.515 3.960 0.334 0.000 0.194 583 G C -1.682 172.894 174.900 -0.539 0.000 1.198 583 G CA -0.195 44.641 45.100 -0.440 0.000 0.972 583 G HN 0.431 nan 8.290 nan 0.000 0.520 584 D N 0.067 120.114 120.400 -0.587 0.000 2.408 584 D HA 0.499 5.340 4.640 0.334 0.000 0.261 584 D C -1.291 174.932 176.300 -0.130 0.000 1.190 584 D CA -0.407 53.482 54.000 -0.186 0.000 0.910 584 D CB 0.136 40.978 40.800 0.070 0.000 1.097 584 D HN 0.292 nan 8.370 nan 0.000 0.522 585 Y N 1.560 121.987 120.300 0.212 0.000 2.352 585 Y HA 0.476 5.224 4.550 0.330 0.000 0.326 585 Y C 1.661 177.743 175.900 0.303 0.000 1.166 585 Y CA -1.038 57.182 58.100 0.201 0.000 1.182 585 Y CB 1.575 40.083 38.460 0.080 0.000 1.216 585 Y HN 0.073 nan 8.280 nan 0.000 0.474 586 R N 1.143 121.944 120.500 0.502 0.000 2.453 586 R HA 0.301 4.842 4.340 0.334 0.000 0.233 586 R C -0.523 175.941 176.300 0.273 0.000 0.895 586 R CA 0.191 56.547 56.100 0.427 0.000 1.028 586 R CB 0.946 31.442 30.300 0.327 0.000 1.255 586 R HN 0.782 nan 8.270 nan 0.000 0.571 587 M N 0.367 120.107 119.600 0.234 0.000 2.465 587 M HA 0.483 5.164 4.480 0.334 0.000 0.284 587 M C -1.969 174.370 176.300 0.065 0.000 1.212 587 M CA -0.749 54.619 55.300 0.114 0.000 0.910 587 M CB 2.968 35.621 32.600 0.089 0.000 1.725 587 M HN -0.005 nan 8.290 nan 0.000 0.477 588 I N 4.592 125.159 120.570 -0.005 0.000 2.569 588 I HA 0.546 4.917 4.170 0.334 0.000 0.290 588 I C -1.889 174.186 176.117 -0.069 0.000 1.088 588 I CA -0.676 60.585 61.300 -0.065 0.000 1.047 588 I CB 1.652 39.589 38.000 -0.105 0.000 1.237 588 I HN 0.737 nan 8.210 nan 0.000 0.421 589 I N 9.621 130.138 120.570 -0.089 0.000 2.466 589 I HA 0.365 4.735 4.170 0.334 0.000 0.279 589 I C -2.412 173.601 176.117 -0.174 0.000 1.033 589 I CA -1.776 59.470 61.300 -0.091 0.000 1.123 589 I CB 1.832 39.818 38.000 -0.023 0.000 1.237 589 I HN 0.334 nan 8.210 nan 0.000 0.460 590 P HA 0.295 nan 4.420 nan 0.000 0.282 590 P C -0.824 176.356 177.300 -0.201 0.000 1.262 590 P CA 0.026 62.854 63.100 -0.454 0.000 0.773 590 P CB 1.420 32.496 31.700 -1.039 0.000 0.879 591 L N 1.776 122.927 121.223 -0.121 0.000 2.260 591 L HA 0.354 4.895 4.340 0.334 0.000 0.265 591 L C 2.251 179.113 176.870 -0.012 0.000 1.015 591 L CA -0.841 53.975 54.840 -0.040 0.000 0.826 591 L CB 0.761 42.812 42.059 -0.014 0.000 1.373 591 L HN 0.320 nan 8.230 nan 0.000 0.450 592 E N 0.527 120.734 120.200 0.011 0.000 2.035 592 E HA -0.251 4.299 4.350 0.334 0.000 0.204 592 E C 1.073 177.690 176.600 0.028 0.000 1.025 592 E CA 2.387 58.802 56.400 0.025 0.000 0.835 592 E CB 0.101 29.816 29.700 0.025 0.000 0.764 592 E HN 0.647 nan 8.360 nan 0.000 0.457 593 S N -0.945 114.767 115.700 0.021 0.000 2.749 593 S HA 0.250 4.920 4.470 0.334 0.000 0.246 593 S C -0.170 174.441 174.600 0.018 0.000 1.023 593 S CA -0.136 58.076 58.200 0.020 0.000 1.012 593 S CB 0.753 63.959 63.200 0.010 0.000 0.942 593 S HN 0.273 nan 8.310 nan 0.000 0.531 594 S N 0.600 116.315 115.700 0.025 0.000 2.625 594 S HA 0.776 5.446 4.470 0.334 0.000 0.271 594 S C -1.371 173.251 174.600 0.037 0.000 1.161 594 S CA -1.019 57.207 58.200 0.043 0.000 0.820 594 S CB 0.854 64.067 63.200 0.022 0.000 1.137 594 S HN 0.281 nan 8.310 nan 0.000 0.470 595 I N 1.751 122.370 120.570 0.082 0.000 2.478 595 I HA 0.347 4.717 4.170 0.334 0.000 0.287 595 I C -0.961 175.154 176.117 -0.003 0.000 1.042 595 I CA -0.872 60.420 61.300 -0.014 0.000 1.067 595 I CB 1.698 39.658 38.000 -0.067 0.000 1.233 595 I HN 0.464 nan 8.210 nan 0.000 0.431 596 L N 6.777 127.984 121.223 -0.028 0.000 2.375 596 L HA 0.566 5.107 4.340 0.334 0.000 0.271 596 L C -0.181 176.671 176.870 -0.030 0.000 1.107 596 L CA -0.306 54.536 54.840 0.003 0.000 0.806 596 L CB 1.427 43.510 42.059 0.040 0.000 1.146 596 L HN 0.509 nan 8.230 nan 0.000 0.447 597 I N 2.516 123.073 120.570 -0.023 0.000 2.569 597 I HA 0.209 4.579 4.170 0.334 0.000 0.290 597 I C -1.125 175.033 176.117 0.069 0.000 1.088 597 I CA -0.699 60.567 61.300 -0.056 0.000 1.047 597 I CB 2.565 40.389 38.000 -0.294 0.000 1.237 597 I HN 0.385 nan 8.210 nan 0.000 0.421 598 Y N 5.707 126.040 120.300 0.055 0.000 2.383 598 Y HA 0.420 5.168 4.550 0.330 0.000 0.344 598 Y C 0.242 176.279 175.900 0.228 0.000 0.986 598 Y CA 0.288 58.465 58.100 0.128 0.000 1.175 598 Y CB 1.166 39.705 38.460 0.132 0.000 1.152 598 Y HN 0.535 nan 8.280 nan 0.000 0.511 599 S N 4.991 120.704 115.700 0.022 0.000 2.472 599 S HA 0.708 5.378 4.470 0.334 0.000 0.303 599 S C -1.588 173.042 174.600 0.049 0.000 1.099 599 S CA -0.640 57.688 58.200 0.215 0.000 1.077 599 S CB 0.953 64.310 63.200 0.262 0.000 1.031 599 S HN 0.464 nan 8.310 nan 0.000 0.487 600 V N 6.774 126.786 119.914 0.164 0.000 2.350 600 V HA 0.421 4.741 4.120 0.334 0.000 0.285 600 V C -2.300 173.887 176.094 0.156 0.000 1.014 600 V CA -1.823 60.573 62.300 0.160 0.000 0.831 600 V CB 1.228 33.210 31.823 0.265 0.000 1.000 600 V HN 0.757 nan 8.190 nan 0.000 0.433 601 P HA 0.115 nan 4.420 nan 0.000 0.268 601 P C -0.142 177.295 177.300 0.228 0.000 1.205 601 P CA -0.063 63.117 63.100 0.132 0.000 0.771 601 P CB 0.544 32.299 31.700 0.091 0.000 0.858 602 V N 5.249 125.244 119.914 0.135 0.000 2.617 602 V HA 0.056 4.376 4.120 0.334 0.000 0.304 602 V C 0.757 176.924 176.094 0.121 0.000 1.040 602 V CA 0.900 63.244 62.300 0.073 0.000 1.149 602 V CB -0.821 31.011 31.823 0.015 0.000 0.914 602 V HN 0.765 nan 8.190 nan 0.000 0.487 603 H N 2.297 121.392 119.070 0.041 0.000 2.990 603 H HA 0.578 5.333 4.556 0.332 0.000 0.336 603 H C -0.122 175.238 175.328 0.053 0.000 1.306 603 H CA -0.581 55.494 56.048 0.046 0.000 1.118 603 H CB 1.691 31.487 29.762 0.057 0.000 1.856 603 H HN 0.680 nan 8.280 nan 0.000 0.538 604 G N -0.170 108.706 108.800 0.126 0.000 2.503 604 G HA2 0.194 4.354 3.960 0.334 0.000 0.257 604 G HA3 0.194 4.354 3.960 0.334 0.000 0.257 604 G C 0.337 175.356 174.900 0.197 0.000 1.214 604 G CA -0.416 44.744 45.100 0.100 0.000 0.839 604 G HN 0.651 nan 8.290 nan 0.000 0.559 605 E N 1.250 121.540 120.200 0.150 0.000 2.472 605 E HA 0.005 4.556 4.350 0.334 0.000 0.196 605 E C 1.510 178.249 176.600 0.232 0.000 1.033 605 E CA -0.341 56.165 56.400 0.178 0.000 0.886 605 E CB 0.146 29.892 29.700 0.077 0.000 0.944 605 E HN 0.562 nan 8.360 nan 0.000 0.492 606 F N 2.540 122.580 119.950 0.150 0.000 2.043 606 F HA -0.309 4.418 4.527 0.333 0.000 0.297 606 F C 2.319 178.293 175.800 0.289 0.000 1.121 606 F CA 2.095 60.243 58.000 0.247 0.000 1.199 606 F CB -0.250 38.858 39.000 0.180 0.000 0.968 606 F HN 0.033 nan 8.300 nan 0.000 0.478 607 A N -0.005 123.100 122.820 0.474 0.000 1.902 607 A HA -0.081 4.440 4.320 0.334 0.000 0.217 607 A C 2.346 180.031 177.584 0.169 0.000 1.181 607 A CA 1.887 54.117 52.037 0.320 0.000 0.623 607 A CB -1.571 17.578 19.000 0.248 0.000 0.818 607 A HN 0.534 nan 8.150 nan 0.000 0.443 608 A N -1.852 121.063 122.820 0.158 0.000 1.930 608 A HA -0.073 4.447 4.320 0.334 0.000 0.217 608 A C 2.144 179.744 177.584 0.026 0.000 1.175 608 A CA 1.583 53.679 52.037 0.098 0.000 0.627 608 A CB -0.713 18.369 19.000 0.137 0.000 0.815 608 A HN 0.679 nan 8.150 nan 0.000 0.443 609 Y N -1.414 118.791 120.300 -0.159 0.000 2.263 609 Y HA -0.157 4.593 4.550 0.333 0.000 0.292 609 Y C 1.904 177.471 175.900 -0.555 0.000 1.130 609 Y CA 1.929 59.794 58.100 -0.391 0.000 1.179 609 Y CB -0.118 38.002 38.460 -0.566 0.000 0.998 609 Y HN 0.400 nan 8.280 nan 0.000 0.532 610 Y N -1.331 118.866 120.300 -0.173 0.000 2.500 610 Y HA 0.085 4.836 4.550 0.335 0.000 0.284 610 Y C 1.624 177.440 175.900 -0.140 0.000 1.118 610 Y CA 0.358 58.310 58.100 -0.246 0.000 1.241 610 Y CB 0.170 38.394 38.460 -0.393 0.000 1.171 610 Y HN -0.018 nan 8.280 nan 0.000 0.540 611 Q N -0.200 119.648 119.800 0.080 0.000 2.188 611 Q HA 0.260 4.800 4.340 0.334 0.000 0.212 611 Q C 1.318 177.337 176.000 0.032 0.000 0.846 611 Q CA 0.375 56.218 55.803 0.067 0.000 0.989 611 Q CB 0.969 29.774 28.738 0.111 0.000 1.114 611 Q HN 0.505 nan 8.270 nan 0.000 0.488 612 G N 1.378 110.177 108.800 -0.002 0.000 2.200 612 G HA2 -0.390 3.770 3.960 0.334 0.000 0.267 612 G HA3 -0.390 3.770 3.960 0.334 0.000 0.267 612 G C 0.450 175.365 174.900 0.026 0.000 0.993 612 G CA 0.215 45.313 45.100 -0.002 0.000 0.701 612 G HN 0.629 nan 8.290 nan 0.000 0.524 613 A N 0.932 123.781 122.820 0.047 0.000 2.565 613 A HA 0.497 5.017 4.320 0.334 0.000 0.237 613 A C -0.558 177.055 177.584 0.048 0.000 1.053 613 A CA 0.246 52.315 52.037 0.055 0.000 0.755 613 A CB 0.231 19.277 19.000 0.078 0.000 0.980 613 A HN 0.429 nan 8.150 nan 0.000 0.506 614 P HA 0.188 nan 4.420 nan 0.000 0.278 614 P C -0.505 176.804 177.300 0.016 0.000 1.238 614 P CA -0.425 62.701 63.100 0.044 0.000 0.794 614 P CB 0.806 32.540 31.700 0.057 0.000 0.955 615 E N 2.024 122.236 120.200 0.020 0.000 2.257 615 E HA 0.079 4.629 4.350 0.334 0.000 0.278 615 E C -0.315 176.273 176.600 -0.020 0.000 1.049 615 E CA -0.318 56.047 56.400 -0.058 0.000 0.876 615 E CB 0.388 30.113 29.700 0.041 0.000 1.035 615 E HN 0.238 nan 8.360 nan 0.000 0.419 616 K N 2.293 122.626 120.400 -0.112 0.000 2.174 616 K HA 0.465 4.986 4.320 0.334 0.000 0.275 616 K C -0.041 176.560 176.600 0.002 0.000 1.015 616 K CA -0.426 55.845 56.287 -0.026 0.000 0.933 616 K CB 1.723 34.192 32.500 -0.052 0.000 1.025 616 K HN 0.577 nan 8.250 nan 0.000 0.463 617 G N 0.307 109.116 108.800 0.015 0.000 2.766 617 G HA2 0.604 4.764 3.960 0.334 0.000 0.288 617 G HA3 0.604 4.764 3.960 0.334 0.000 0.288 617 G C -1.750 172.968 174.900 -0.305 0.000 1.408 617 G CA -0.487 44.516 45.100 -0.161 0.000 0.852 617 G HN 0.423 nan 8.290 nan 0.000 0.487 618 V N -0.476 119.154 119.914 -0.472 0.000 3.049 618 V HA 0.745 5.065 4.120 0.334 0.000 0.309 618 V C -1.529 174.353 176.094 -0.353 0.000 1.148 618 V CA -0.931 61.186 62.300 -0.305 0.000 0.990 618 V CB 2.018 33.759 31.823 -0.136 0.000 1.039 618 V HN 0.834 nan 8.190 nan 0.000 0.430 619 L N 6.321 127.445 121.223 -0.164 0.000 2.257 619 L HA 0.614 5.154 4.340 0.334 0.000 0.290 619 L C -0.773 176.087 176.870 -0.016 0.000 1.044 619 L CA 0.294 55.109 54.840 -0.042 0.000 0.810 619 L CB 0.772 42.886 42.059 0.091 0.000 1.193 619 L HN 0.640 nan 8.230 nan 0.000 0.425 620 L N 4.729 125.949 121.223 -0.005 0.000 2.334 620 L HA 0.570 5.111 4.340 0.334 0.000 0.272 620 L C -0.208 176.673 176.870 0.019 0.000 1.020 620 L CA -0.790 54.053 54.840 0.004 0.000 0.812 620 L CB 1.612 43.672 42.059 0.001 0.000 1.264 620 L HN 0.552 nan 8.230 nan 0.000 0.439 621 K N 1.976 122.394 120.400 0.029 0.000 2.413 621 K HA 0.291 4.812 4.320 0.334 0.000 0.257 621 K C -1.749 174.894 176.600 0.071 0.000 0.946 621 K CA -0.581 55.732 56.287 0.044 0.000 0.823 621 K CB 1.415 33.932 32.500 0.028 0.000 1.109 621 K HN 0.472 nan 8.250 nan 0.000 0.427 622 Y N 4.082 124.348 120.300 -0.058 0.000 2.353 622 Y HA 0.188 4.948 4.550 0.350 0.000 0.340 622 Y C -0.568 175.307 175.900 -0.043 0.000 0.972 622 Y CA -0.636 57.429 58.100 -0.058 0.000 1.157 622 Y CB 1.032 39.441 38.460 -0.086 0.000 1.157 622 Y HN 0.595 nan 8.280 nan 0.000 0.495 623 D N 6.316 126.474 120.400 -0.404 0.000 2.316 623 D HA 0.061 4.901 4.640 0.334 0.000 0.245 623 D C 1.276 177.255 176.300 -0.534 0.000 1.171 623 D CA 0.044 53.852 54.000 -0.320 0.000 0.856 623 D CB 1.558 42.225 40.800 -0.221 0.000 1.090 623 D HN 0.692 nan 8.370 nan 0.000 0.476 624 V N 3.317 123.099 119.914 -0.219 0.000 2.343 624 V HA -0.173 4.147 4.120 0.334 0.000 0.247 624 V C 2.234 178.263 176.094 -0.108 0.000 1.051 624 V CA 0.938 63.194 62.300 -0.072 0.000 1.036 624 V CB -0.508 31.374 31.823 0.098 0.000 0.654 624 V HN 0.374 nan 8.190 nan 0.000 0.451 625 K N 1.350 121.691 120.400 -0.097 0.000 1.985 625 K HA -0.131 4.389 4.320 0.334 0.000 0.210 625 K C 2.382 178.923 176.600 -0.099 0.000 1.047 625 K CA 2.523 58.767 56.287 -0.072 0.000 0.932 625 K CB -0.856 31.612 32.500 -0.054 0.000 0.716 625 K HN 0.807 nan 8.250 nan 0.000 0.439 626 T N -2.756 111.710 114.554 -0.146 0.000 3.060 626 T HA 0.175 4.725 4.350 0.334 0.000 0.249 626 T C 0.678 175.261 174.700 -0.196 0.000 1.079 626 T CA -0.010 62.007 62.100 -0.138 0.000 1.013 626 T CB 0.207 69.007 68.868 -0.114 0.000 0.975 626 T HN 0.290 nan 8.240 nan 0.000 0.518 627 R N 0.132 120.409 120.500 -0.372 0.000 3.994 627 R HA -0.130 4.411 4.340 0.334 0.000 0.403 627 R C 0.138 176.197 176.300 -0.403 0.000 1.126 627 R CA 1.113 56.894 56.100 -0.531 0.000 1.143 627 R CB -1.626 28.579 30.300 -0.158 0.000 1.695 627 R HN 0.552 nan 8.270 nan 0.000 0.555 628 K N 1.788 122.005 120.400 -0.306 0.000 2.298 628 K HA 0.269 4.790 4.320 0.334 0.000 0.280 628 K C -0.334 176.178 176.600 -0.148 0.000 1.032 628 K CA -0.035 56.153 56.287 -0.164 0.000 0.958 628 K CB 0.972 33.402 32.500 -0.116 0.000 0.978 628 K HN -0.068 nan 8.250 nan 0.000 0.472 629 V N 4.077 123.966 119.914 -0.042 0.000 2.417 629 V HA 0.304 4.625 4.120 0.334 0.000 0.291 629 V C -0.051 176.046 176.094 0.005 0.000 1.024 629 V CA -0.655 61.654 62.300 0.015 0.000 0.861 629 V CB 1.465 33.336 31.823 0.080 0.000 0.985 629 V HN 1.039 nan 8.190 nan 0.000 0.436 630 T N 0.747 115.302 114.554 0.003 0.000 2.916 630 T HA 0.622 5.173 4.350 0.334 0.000 0.292 630 T C -0.686 174.012 174.700 -0.002 0.000 1.064 630 T CA -0.812 61.285 62.100 -0.005 0.000 1.011 630 T CB 2.265 71.123 68.868 -0.015 0.000 1.152 630 T HN 0.632 nan 8.240 nan 0.000 0.510 631 E N 0.564 120.757 120.200 -0.012 0.000 2.167 631 E HA 0.434 4.984 4.350 0.334 0.000 0.284 631 E C 0.123 176.701 176.600 -0.036 0.000 1.016 631 E CA -0.682 55.705 56.400 -0.023 0.000 0.817 631 E CB 1.109 30.791 29.700 -0.029 0.000 1.080 631 E HN 0.491 nan 8.360 nan 0.000 0.397 632 V N 3.935 123.828 119.914 -0.035 0.000 2.685 632 V HA 0.124 4.444 4.120 0.334 0.000 0.244 632 V C 0.341 176.361 176.094 -0.124 0.000 1.054 632 V CA 0.709 62.977 62.300 -0.052 0.000 1.076 632 V CB 0.072 31.900 31.823 0.008 0.000 0.725 632 V HN 0.542 nan 8.190 nan 0.000 0.467 633 K N 0.786 121.122 120.400 -0.107 0.000 2.578 633 K HA 0.416 4.937 4.320 0.334 0.000 0.269 633 K C -1.395 175.141 176.600 -0.106 0.000 0.941 633 K CA -0.419 55.776 56.287 -0.153 0.000 0.847 633 K CB 1.623 34.003 32.500 -0.199 0.000 1.397 633 K HN 0.281 nan 8.250 nan 0.000 0.422 634 N N 0.785 119.419 118.700 -0.111 0.000 2.966 634 N HA 0.457 5.397 4.740 0.334 0.000 0.314 634 N C -0.964 174.502 175.510 -0.074 0.000 1.397 634 N CA -0.563 52.434 53.050 -0.088 0.000 0.776 634 N CB 0.393 38.836 38.487 -0.072 0.000 1.576 634 N HN 0.698 nan 8.380 nan 0.000 0.592 635 N N -1.886 116.783 118.700 -0.051 0.000 2.747 635 N HA -0.161 4.779 4.740 0.334 0.000 0.249 635 N C -1.093 174.424 175.510 0.012 0.000 1.107 635 N CA 0.264 53.299 53.050 -0.025 0.000 0.707 635 N CB -1.281 37.182 38.487 -0.039 0.000 1.054 635 N HN 0.410 nan 8.380 nan 0.000 0.555 636 L N -0.394 120.851 121.223 0.037 0.000 2.399 636 L HA 0.417 4.957 4.340 0.334 0.000 0.265 636 L C 1.743 178.740 176.870 0.211 0.000 1.089 636 L CA 0.073 55.000 54.840 0.145 0.000 0.802 636 L CB 1.175 43.361 42.059 0.212 0.000 1.180 636 L HN 0.247 nan 8.230 nan 0.000 0.454 637 T N -4.649 110.063 114.554 0.263 0.000 3.009 637 T HA 0.244 4.795 4.350 0.334 0.000 0.267 637 T C -0.156 174.693 174.700 0.248 0.000 0.942 637 T CA -0.229 62.014 62.100 0.239 0.000 0.883 637 T CB 0.492 69.456 68.868 0.159 0.000 1.192 637 T HN 0.514 nan 8.240 nan 0.000 0.524 638 D N -0.263 120.310 120.400 0.288 0.000 2.663 638 D HA 0.573 5.413 4.640 0.334 0.000 0.233 638 D C -2.110 174.364 176.300 0.290 0.000 1.240 638 D CA -0.517 53.612 54.000 0.216 0.000 0.774 638 D CB 2.209 43.192 40.800 0.306 0.000 1.443 638 D HN 0.293 nan 8.370 nan 0.000 0.441 639 L N 1.802 123.109 121.223 0.140 0.000 2.493 639 L HA 0.655 5.195 4.340 0.334 0.000 0.265 639 L C -1.526 175.387 176.870 0.072 0.000 0.954 639 L CA -0.587 54.367 54.840 0.190 0.000 0.844 639 L CB 1.461 43.653 42.059 0.222 0.000 1.302 639 L HN 0.266 nan 8.230 nan 0.000 0.405 640 R N 4.638 125.204 120.500 0.110 0.000 2.637 640 R HA 0.627 5.167 4.340 0.334 0.000 0.291 640 R C -1.458 174.860 176.300 0.030 0.000 0.963 640 R CA -0.669 55.440 56.100 0.015 0.000 0.901 640 R CB 2.364 32.645 30.300 -0.032 0.000 1.160 640 R HN 0.658 nan 8.270 nan 0.000 0.457 641 L N 0.860 122.088 121.223 0.009 0.000 2.346 641 L HA 0.376 4.917 4.340 0.334 0.000 0.274 641 L C 0.305 177.183 176.870 0.013 0.000 1.007 641 L CA -0.499 54.343 54.840 0.004 0.000 0.818 641 L CB 2.201 44.267 42.059 0.011 0.000 1.284 641 L HN 0.648 nan 8.230 nan 0.000 0.424 642 S N 2.369 118.073 115.700 0.008 0.000 2.573 642 S HA 0.178 4.848 4.470 0.334 0.000 0.277 642 S C 1.232 175.850 174.600 0.030 0.000 1.346 642 S CA 0.370 58.583 58.200 0.023 0.000 1.034 642 S CB 1.567 64.777 63.200 0.015 0.000 0.879 642 S HN 0.775 nan 8.310 nan 0.000 0.528 643 A N 2.757 125.600 122.820 0.038 0.000 1.933 643 A HA -0.097 4.423 4.320 0.334 0.000 0.218 643 A C 1.533 179.140 177.584 0.038 0.000 1.175 643 A CA 1.844 53.905 52.037 0.040 0.000 0.628 643 A CB -0.729 18.294 19.000 0.038 0.000 0.814 643 A HN 0.962 nan 8.150 nan 0.000 0.444 644 D N -2.020 118.400 120.400 0.034 0.000 2.328 644 D HA 0.029 4.869 4.640 0.334 0.000 0.221 644 D C 0.718 177.035 176.300 0.029 0.000 1.072 644 D CA 0.035 54.054 54.000 0.032 0.000 0.850 644 D CB -0.495 40.323 40.800 0.030 0.000 0.922 644 D HN 0.471 nan 8.370 nan 0.000 0.516 645 R N -0.703 119.812 120.500 0.026 0.000 3.953 645 R HA -0.217 4.323 4.340 0.334 0.000 0.340 645 R C 0.850 177.156 176.300 0.011 0.000 1.195 645 R CA 1.318 57.429 56.100 0.019 0.000 0.929 645 R CB -1.848 28.466 30.300 0.024 0.000 1.402 645 R HN 0.313 nan 8.270 nan 0.000 0.540 646 K N -0.147 120.259 120.400 0.011 0.000 2.242 646 K HA 0.067 4.588 4.320 0.334 0.000 0.200 646 K C 0.523 177.114 176.600 -0.015 0.000 1.050 646 K CA 0.999 57.291 56.287 0.009 0.000 0.981 646 K CB 0.490 33.002 32.500 0.020 0.000 0.795 646 K HN 0.049 nan 8.250 nan 0.000 0.477 647 T N 1.359 115.895 114.554 -0.031 0.000 2.823 647 T HA 0.400 4.951 4.350 0.334 0.000 0.279 647 T C -0.689 173.918 174.700 -0.155 0.000 0.998 647 T CA -0.634 61.417 62.100 -0.082 0.000 0.994 647 T CB 2.383 71.233 68.868 -0.030 0.000 0.960 647 T HN -0.268 nan 8.240 nan 0.000 0.448 648 V N 4.163 123.857 119.914 -0.366 0.000 2.495 648 V HA 0.537 4.857 4.120 0.334 0.000 0.298 648 V C -0.318 175.540 176.094 -0.394 0.000 1.031 648 V CA -0.771 61.250 62.300 -0.464 0.000 0.871 648 V CB 1.708 32.993 31.823 -0.897 0.000 0.988 648 V HN 0.841 nan 8.190 nan 0.000 0.432 649 M N 5.351 124.916 119.600 -0.059 0.000 2.383 649 M HA 0.754 5.434 4.480 0.334 0.000 0.325 649 M C -0.880 175.610 176.300 0.316 0.000 1.092 649 M CA -0.780 54.612 55.300 0.154 0.000 0.961 649 M CB 2.130 34.937 32.600 0.344 0.000 1.672 649 M HN 0.612 nan 8.290 nan 0.000 0.438 650 V N 0.684 120.775 119.914 0.294 0.000 3.078 650 V HA 0.829 5.149 4.120 0.334 0.000 0.311 650 V C -1.264 174.924 176.094 0.156 0.000 1.138 650 V CA -1.021 61.482 62.300 0.339 0.000 1.007 650 V CB 2.193 34.247 31.823 0.385 0.000 1.045 650 V HN 0.954 nan 8.190 nan 0.000 0.432 651 R N 1.758 122.381 120.500 0.206 0.000 2.445 651 R HA 0.671 5.212 4.340 0.334 0.000 0.308 651 R C -0.555 175.854 176.300 0.182 0.000 0.961 651 R CA -0.331 55.825 56.100 0.094 0.000 0.862 651 R CB 1.655 32.050 30.300 0.159 0.000 1.144 651 R HN 0.920 nan 8.270 nan 0.000 0.447 652 K N 1.776 122.285 120.400 0.182 0.000 2.211 652 K HA 0.155 4.675 4.320 0.334 0.000 0.237 652 K C 0.211 176.874 176.600 0.105 0.000 1.002 652 K CA -0.571 55.797 56.287 0.136 0.000 0.885 652 K CB 1.111 33.669 32.500 0.098 0.000 1.136 652 K HN 0.824 nan 8.250 nan 0.000 0.448 653 D N 0.710 121.152 120.400 0.071 0.000 2.265 653 D HA -0.205 4.635 4.640 0.334 0.000 0.208 653 D C 0.699 177.029 176.300 0.050 0.000 0.977 653 D CA 1.252 55.284 54.000 0.054 0.000 0.871 653 D CB -0.158 40.661 40.800 0.032 0.000 0.925 653 D HN 0.608 nan 8.370 nan 0.000 0.485 654 D N -0.671 119.768 120.400 0.065 0.000 2.363 654 D HA 0.096 4.936 4.640 0.334 0.000 0.226 654 D C 1.755 178.080 176.300 0.042 0.000 1.020 654 D CA 0.769 54.803 54.000 0.058 0.000 0.892 654 D CB -0.403 40.447 40.800 0.084 0.000 0.900 654 D HN 0.368 nan 8.370 nan 0.000 0.531 655 G N -0.077 108.750 108.800 0.044 0.000 2.212 655 G HA2 -0.338 3.822 3.960 0.334 0.000 0.266 655 G HA3 -0.338 3.822 3.960 0.334 0.000 0.266 655 G C 0.235 175.112 174.900 -0.038 0.000 0.978 655 G CA 0.426 45.531 45.100 0.007 0.000 0.632 655 G HN 0.507 nan 8.290 nan 0.000 0.537 656 K N -0.017 120.372 120.400 -0.019 0.000 2.098 656 K HA 0.671 5.191 4.320 0.334 0.000 0.261 656 K C 0.369 176.833 176.600 -0.227 0.000 0.987 656 K CA -0.675 55.506 56.287 -0.177 0.000 0.916 656 K CB 1.399 33.735 32.500 -0.273 0.000 1.039 656 K HN 0.227 nan 8.250 nan 0.000 0.455 657 I N 2.696 123.003 120.570 -0.438 0.000 2.385 657 I HA 0.245 4.615 4.170 0.334 0.000 0.294 657 I C -0.735 175.113 176.117 -0.448 0.000 0.988 657 I CA -0.568 60.460 61.300 -0.453 0.000 1.265 657 I CB 0.473 38.110 38.000 -0.604 0.000 1.388 657 I HN 0.439 nan 8.210 nan 0.000 0.480 658 Y N 2.699 122.926 120.300 -0.122 0.000 2.605 658 Y HA 0.570 5.320 4.550 0.333 0.000 0.343 658 Y C 0.181 176.128 175.900 0.077 0.000 1.036 658 Y CA -0.861 57.248 58.100 0.015 0.000 1.065 658 Y CB 2.237 40.754 38.460 0.096 0.000 1.288 658 Y HN 0.356 nan 8.280 nan 0.000 0.481 659 T N 2.605 117.343 114.554 0.307 0.000 2.916 659 T HA 0.751 5.301 4.350 0.334 0.000 0.298 659 T C -1.829 173.047 174.700 0.292 0.000 1.031 659 T CA -0.566 61.643 62.100 0.181 0.000 0.993 659 T CB 0.325 69.248 68.868 0.092 0.000 1.045 659 T HN 0.502 nan 8.240 nan 0.000 0.454 660 F N 2.113 122.121 119.950 0.097 0.000 2.641 660 F HA 0.787 5.513 4.527 0.333 0.000 0.308 660 F C -3.298 172.541 175.800 0.066 0.000 1.105 660 F CA -2.761 55.282 58.000 0.073 0.000 0.964 660 F CB 0.481 39.515 39.000 0.057 0.000 1.294 660 F HN 0.259 nan 8.300 nan 0.000 0.442 661 P HA 0.195 nan 4.420 nan 0.000 0.276 661 P C 0.848 178.250 177.300 0.169 0.000 1.235 661 P CA -0.259 62.903 63.100 0.103 0.000 0.772 661 P CB 1.298 33.063 31.700 0.108 0.000 0.871 662 L N 3.136 124.398 121.223 0.064 0.000 2.261 662 L HA -0.208 4.332 4.340 0.334 0.000 0.216 662 L C 1.905 178.857 176.870 0.137 0.000 1.114 662 L CA 1.520 56.429 54.840 0.114 0.000 0.777 662 L CB -0.195 41.889 42.059 0.043 0.000 0.910 662 L HN 0.393 nan 8.230 nan 0.000 0.440 663 E N 0.137 120.401 120.200 0.106 0.000 2.170 663 E HA -0.206 4.345 4.350 0.334 0.000 0.191 663 E C 0.835 177.488 176.600 0.090 0.000 0.981 663 E CA 0.695 57.144 56.400 0.083 0.000 0.830 663 E CB -0.065 29.671 29.700 0.060 0.000 0.775 663 E HN 0.344 nan 8.360 nan 0.000 0.470 664 K N 1.786 122.257 120.400 0.119 0.000 2.920 664 K HA 0.199 4.720 4.320 0.334 0.000 0.175 664 K C -2.148 174.531 176.600 0.131 0.000 1.099 664 K CA -1.748 54.597 56.287 0.096 0.000 0.939 664 K CB 1.406 33.948 32.500 0.071 0.000 1.148 664 K HN -0.234 nan 8.250 nan 0.000 0.613 665 P HA -0.221 nan 4.420 nan 0.000 0.227 665 P C 0.621 177.822 177.300 -0.165 0.000 1.145 665 P CA 1.060 64.143 63.100 -0.028 0.000 0.769 665 P CB 0.377 31.965 31.700 -0.187 0.000 0.769 666 E N 0.383 120.551 120.200 -0.054 0.000 2.158 666 E HA -0.090 4.461 4.350 0.334 0.000 0.191 666 E C 0.293 176.887 176.600 -0.009 0.000 0.982 666 E CA 0.373 56.739 56.400 -0.056 0.000 0.823 666 E CB -0.139 29.544 29.700 -0.029 0.000 0.766 666 E HN 0.135 nan 8.360 nan 0.000 0.468 667 D N 2.321 122.749 120.400 0.048 0.000 2.608 667 D HA 0.006 4.846 4.640 0.334 0.000 0.224 667 D C -0.584 175.797 176.300 0.136 0.000 1.123 667 D CA 0.294 54.342 54.000 0.080 0.000 1.030 667 D CB 0.089 40.941 40.800 0.087 0.000 1.093 667 D HN 0.294 nan 8.370 nan 0.000 0.497 668 E N 1.504 121.770 120.200 0.108 0.000 2.216 668 E HA 0.378 4.928 4.350 0.334 0.000 0.279 668 E C -0.550 176.164 176.600 0.191 0.000 0.997 668 E CA -0.693 55.815 56.400 0.180 0.000 0.817 668 E CB 1.031 30.759 29.700 0.046 0.000 1.096 668 E HN 0.070 nan 8.360 nan 0.000 0.393 669 R N 1.811 122.454 120.500 0.238 0.000 2.750 669 R HA 0.364 4.904 4.340 0.334 0.000 0.281 669 R C -1.003 175.390 176.300 0.154 0.000 0.972 669 R CA -0.694 55.507 56.100 0.169 0.000 0.912 669 R CB 2.254 32.617 30.300 0.105 0.000 1.187 669 R HN 0.424 nan 8.270 nan 0.000 0.464 670 T N 1.675 116.239 114.554 0.018 0.000 2.817 670 T HA 0.221 4.771 4.350 0.334 0.000 0.293 670 T C -0.025 174.549 174.700 -0.210 0.000 0.964 670 T CA -0.549 61.392 62.100 -0.265 0.000 1.085 670 T CB 1.056 69.743 68.868 -0.302 0.000 0.921 670 T HN 0.124 nan 8.240 nan 0.000 0.502 671 V N 4.468 124.213 119.914 -0.282 0.000 2.432 671 V HA 0.224 4.544 4.120 0.334 0.000 0.271 671 V C 0.365 176.311 176.094 -0.247 0.000 1.046 671 V CA -0.480 61.694 62.300 -0.210 0.000 0.945 671 V CB 0.805 32.498 31.823 -0.216 0.000 0.992 671 V HN 0.755 nan 8.190 nan 0.000 0.471 672 E N 3.108 123.197 120.200 -0.185 0.000 2.151 672 E HA 0.373 4.923 4.350 0.334 0.000 0.275 672 E C 0.656 177.131 176.600 -0.208 0.000 0.936 672 E CA -0.100 56.187 56.400 -0.188 0.000 0.777 672 E CB 1.961 31.584 29.700 -0.130 0.000 1.108 672 E HN 0.846 nan 8.360 nan 0.000 0.401 673 T N -1.798 112.593 114.554 -0.272 0.000 3.004 673 T HA 0.119 4.670 4.350 0.334 0.000 0.266 673 T C 0.203 174.782 174.700 -0.203 0.000 0.986 673 T CA -0.282 61.620 62.100 -0.329 0.000 0.902 673 T CB 0.191 68.633 68.868 -0.709 0.000 1.118 673 T HN 0.062 nan 8.240 nan 0.000 0.522 674 D N 1.123 121.428 120.400 -0.159 0.000 2.388 674 D HA 0.234 5.074 4.640 0.334 0.000 0.221 674 D C 1.431 177.682 176.300 -0.082 0.000 1.133 674 D CA -0.040 53.895 54.000 -0.108 0.000 0.831 674 D CB 0.511 41.253 40.800 -0.097 0.000 0.962 674 D HN 0.391 nan 8.370 nan 0.000 0.502 675 K N 0.579 120.928 120.400 -0.084 0.000 2.155 675 K HA -0.019 4.502 4.320 0.334 0.000 0.203 675 K C 0.931 177.495 176.600 -0.060 0.000 1.052 675 K CA 0.475 56.720 56.287 -0.070 0.000 0.948 675 K CB 0.534 32.990 32.500 -0.074 0.000 0.728 675 K HN -0.041 nan 8.250 nan 0.000 0.448 676 R N 1.500 121.961 120.500 -0.065 0.000 2.343 676 R HA 0.265 4.806 4.340 0.334 0.000 0.320 676 R C -2.752 173.512 176.300 -0.061 0.000 0.956 676 R CA -2.080 53.986 56.100 -0.056 0.000 0.836 676 R CB 1.355 31.622 30.300 -0.055 0.000 1.151 676 R HN -0.126 nan 8.270 nan 0.000 0.450 677 P HA 0.055 nan 4.420 nan 0.000 0.272 677 P C -0.972 176.320 177.300 -0.012 0.000 1.230 677 P CA -0.549 62.541 63.100 -0.017 0.000 0.788 677 P CB 0.543 32.240 31.700 -0.005 0.000 0.949 678 L N 2.481 123.711 121.223 0.012 0.000 2.326 678 L HA 0.276 4.816 4.340 0.334 0.000 0.278 678 L C -0.463 176.427 176.870 0.034 0.000 1.092 678 L CA -0.026 54.841 54.840 0.046 0.000 0.810 678 L CB 1.021 43.127 42.059 0.078 0.000 1.153 678 L HN 0.083 nan 8.230 nan 0.000 0.439 679 V N 3.522 123.464 119.914 0.046 0.000 2.495 679 V HA 0.837 5.157 4.120 0.334 0.000 0.298 679 V C -0.227 175.853 176.094 -0.022 0.000 1.031 679 V CA -0.335 61.968 62.300 0.005 0.000 0.871 679 V CB 1.641 33.469 31.823 0.009 0.000 0.988 679 V HN 0.943 nan 8.190 nan 0.000 0.432 680 S N 2.413 118.077 115.700 -0.060 0.000 2.688 680 S HA 0.711 5.382 4.470 0.334 0.000 0.275 680 S C -0.739 173.782 174.600 -0.132 0.000 1.175 680 S CA -0.694 57.447 58.200 -0.098 0.000 0.818 680 S CB 1.913 65.044 63.200 -0.115 0.000 1.157 680 S HN 0.825 nan 8.310 nan 0.000 0.482 681 S N -0.167 115.421 115.700 -0.187 0.000 2.449 681 S HA 0.528 5.199 4.470 0.334 0.000 0.310 681 S C 0.942 175.346 174.600 -0.327 0.000 1.096 681 S CA -1.010 57.037 58.200 -0.255 0.000 1.095 681 S CB 0.004 62.985 63.200 -0.366 0.000 1.007 681 S HN 0.648 nan 8.310 nan 0.000 0.474 682 I N 4.337 124.709 120.570 -0.330 0.000 2.127 682 I HA -0.224 4.146 4.170 0.334 0.000 0.241 682 I C 2.600 178.382 176.117 -0.558 0.000 1.075 682 I CA 1.733 62.710 61.300 -0.539 0.000 1.334 682 I CB -0.540 37.103 38.000 -0.595 0.000 1.040 682 I HN 0.866 nan 8.210 nan 0.000 0.405 683 H N 1.578 120.457 119.070 -0.317 0.000 2.421 683 H HA -0.181 4.576 4.556 0.334 0.000 0.298 683 H C 1.814 177.112 175.328 -0.049 0.000 1.087 683 H CA 1.657 57.610 56.048 -0.157 0.000 1.330 683 H CB -0.491 29.217 29.762 -0.090 0.000 1.388 683 H HN 0.623 nan 8.280 nan 0.000 0.526 684 E N 1.355 121.225 120.200 -0.550 0.000 2.046 684 E HA -0.135 4.415 4.350 0.334 0.000 0.190 684 E C 1.956 178.503 176.600 -0.089 0.000 0.982 684 E CA 0.814 57.044 56.400 -0.283 0.000 0.800 684 E CB -0.214 29.287 29.700 -0.333 0.000 0.756 684 E HN 0.568 nan 8.360 nan 0.000 0.449 685 E N -0.027 120.106 120.200 -0.111 0.000 2.077 685 E HA -0.140 4.410 4.350 0.334 0.000 0.193 685 E C 1.848 178.577 176.600 0.214 0.000 0.989 685 E CA 1.003 57.410 56.400 0.010 0.000 0.800 685 E CB -0.171 29.506 29.700 -0.039 0.000 0.746 685 E HN 0.261 nan 8.360 nan 0.000 0.452 686 F N 0.884 120.821 119.950 -0.023 0.000 2.171 686 F HA -0.144 4.583 4.527 0.334 0.000 0.300 686 F C 2.229 178.074 175.800 0.074 0.000 1.090 686 F CA 0.726 58.739 58.000 0.021 0.000 1.293 686 F CB -0.828 38.184 39.000 0.021 0.000 1.013 686 F HN 0.056 nan 8.300 nan 0.000 0.486 687 L N -0.341 121.041 121.223 0.267 0.000 2.027 687 L HA -0.208 4.332 4.340 0.334 0.000 0.206 687 L C 2.674 179.668 176.870 0.208 0.000 1.074 687 L CA 1.387 56.357 54.840 0.216 0.000 0.745 687 L CB -0.453 41.704 42.059 0.163 0.000 0.898 687 L HN 0.143 nan 8.230 nan 0.000 0.433 688 Q N -0.011 119.877 119.800 0.146 0.000 2.124 688 Q HA -0.241 4.300 4.340 0.334 0.000 0.202 688 Q C 2.104 178.174 176.000 0.116 0.000 0.977 688 Q CA 1.881 57.750 55.803 0.109 0.000 0.850 688 Q CB -0.088 28.682 28.738 0.053 0.000 0.901 688 Q HN 0.550 nan 8.270 nan 0.000 0.429 689 M N -0.955 118.723 119.600 0.130 0.000 2.200 689 M HA -0.164 4.516 4.480 0.334 0.000 0.265 689 M C 1.990 178.360 176.300 0.116 0.000 1.066 689 M CA 1.356 56.715 55.300 0.098 0.000 1.127 689 M CB -0.452 32.192 32.600 0.073 0.000 1.379 689 M HN 0.178 nan 8.290 nan 0.000 0.420 690 Y N 1.530 121.871 120.300 0.068 0.000 2.114 690 Y HA -0.272 4.479 4.550 0.335 0.000 0.284 690 Y C 1.885 177.902 175.900 0.195 0.000 1.143 690 Y CA 1.873 60.026 58.100 0.089 0.000 1.135 690 Y CB -0.432 38.056 38.460 0.046 0.000 0.980 690 Y HN 0.195 nan 8.280 nan 0.000 0.499 691 D N 0.248 120.719 120.400 0.119 0.000 2.116 691 D HA -0.228 4.612 4.640 0.334 0.000 0.193 691 D C 2.106 178.509 176.300 0.172 0.000 0.998 691 D CA 1.893 55.990 54.000 0.162 0.000 0.836 691 D CB -0.394 40.535 40.800 0.216 0.000 0.951 691 D HN 0.623 nan 8.370 nan 0.000 0.449 692 E N 0.059 120.323 120.200 0.107 0.000 2.106 692 E HA -0.122 4.429 4.350 0.334 0.000 0.192 692 E C 1.960 178.587 176.600 0.044 0.000 0.984 692 E CA 1.031 57.477 56.400 0.078 0.000 0.806 692 E CB -0.012 29.715 29.700 0.045 0.000 0.750 692 E HN 0.195 nan 8.360 nan 0.000 0.458 693 A N 0.360 123.188 122.820 0.013 0.000 1.933 693 A HA -0.183 4.337 4.320 0.334 0.000 0.218 693 A C 1.886 179.450 177.584 -0.034 0.000 1.175 693 A CA 1.341 53.367 52.037 -0.018 0.000 0.628 693 A CB -1.077 17.912 19.000 -0.018 0.000 0.814 693 A HN 0.688 nan 8.150 nan 0.000 0.444 694 W N 0.786 121.928 121.300 -0.262 0.000 2.381 694 W HA -0.122 4.738 4.660 0.334 0.000 0.301 694 W C 2.139 178.623 176.519 -0.059 0.000 1.205 694 W CA 1.913 59.143 57.345 -0.192 0.000 1.285 694 W CB -0.002 29.278 29.460 -0.300 0.000 1.133 694 W HN 0.256 nan 8.180 nan 0.000 0.521 695 K N 0.181 120.624 120.400 0.071 0.000 2.057 695 K HA -0.169 4.351 4.320 0.334 0.000 0.206 695 K C 2.051 178.530 176.600 -0.201 0.000 1.050 695 K CA 1.750 57.958 56.287 -0.132 0.000 0.935 695 K CB -0.486 32.083 32.500 0.115 0.000 0.715 695 K HN 0.266 nan 8.250 nan 0.000 0.439 696 L N 0.600 121.753 121.223 -0.118 0.000 2.017 696 L HA -0.155 4.385 4.340 0.334 0.000 0.208 696 L C 2.626 179.370 176.870 -0.210 0.000 1.073 696 L CA 1.298 56.069 54.840 -0.114 0.000 0.745 696 L CB -0.555 41.471 42.059 -0.055 0.000 0.894 696 L HN 0.289 nan 8.230 nan 0.000 0.432 697 A N -0.064 122.590 122.820 -0.277 0.000 1.917 697 A HA -0.283 4.237 4.320 0.334 0.000 0.219 697 A C 2.457 179.702 177.584 -0.565 0.000 1.182 697 A CA 2.137 53.900 52.037 -0.457 0.000 0.633 697 A CB -0.621 18.126 19.000 -0.422 0.000 0.819 697 A HN 0.379 nan 8.150 nan 0.000 0.448 698 R N -0.689 119.530 120.500 -0.468 0.000 2.062 698 R HA -0.125 4.415 4.340 0.334 0.000 0.229 698 R C 1.384 177.538 176.300 -0.243 0.000 1.128 698 R CA 1.619 57.503 56.100 -0.360 0.000 0.960 698 R CB -0.362 29.597 30.300 -0.568 0.000 0.855 698 R HN 0.413 nan 8.270 nan 0.000 0.432 699 D N 0.417 120.677 120.400 -0.233 0.000 2.218 699 D HA -0.114 4.727 4.640 0.334 0.000 0.204 699 D C 0.934 177.142 176.300 -0.153 0.000 0.976 699 D CA 1.021 54.924 54.000 -0.161 0.000 0.853 699 D CB -0.136 40.594 40.800 -0.116 0.000 0.939 699 D HN 0.269 nan 8.370 nan 0.000 0.481 700 N N -0.729 117.872 118.700 -0.166 0.000 2.254 700 N HA -0.057 4.883 4.740 0.334 0.000 0.190 700 N C 0.104 175.501 175.510 -0.188 0.000 1.107 700 N CA -0.255 52.689 53.050 -0.178 0.000 0.869 700 N CB 0.105 38.499 38.487 -0.155 0.000 0.983 700 N HN 0.185 nan 8.380 nan 0.000 0.487 701 Y N 2.651 122.766 120.300 -0.309 0.000 2.805 701 Y HA -0.155 4.595 4.550 0.334 0.000 0.337 701 Y C 1.769 177.547 175.900 -0.202 0.000 1.252 701 Y CA -0.496 57.435 58.100 -0.281 0.000 1.515 701 Y CB 0.433 38.701 38.460 -0.320 0.000 1.305 701 Y HN 0.212 nan 8.280 nan 0.000 0.600 702 W N 4.949 125.680 121.300 -0.948 0.000 2.350 702 W HA -0.200 4.660 4.660 0.333 0.000 0.289 702 W C -0.612 175.589 176.519 -0.531 0.000 1.215 702 W CA 1.098 58.022 57.345 -0.702 0.000 1.236 702 W CB -0.498 28.566 29.460 -0.661 0.000 1.130 702 W HN 0.626 nan 8.180 nan 0.000 0.541 703 N N 1.845 119.657 118.700 -1.480 0.000 2.546 703 N HA 0.019 4.959 4.740 0.334 0.000 0.238 703 N C 0.988 176.241 175.510 -0.428 0.000 0.984 703 N CA -0.068 52.296 53.050 -1.144 0.000 0.935 703 N CB 0.985 38.512 38.487 -1.601 0.000 1.122 703 N HN 0.075 nan 8.380 nan 0.000 0.510 704 E N 3.449 123.464 120.200 -0.308 0.000 2.077 704 E HA -0.235 4.315 4.350 0.334 0.000 0.193 704 E C 1.703 178.221 176.600 -0.137 0.000 0.989 704 E CA 1.376 57.672 56.400 -0.174 0.000 0.800 704 E CB 0.029 29.633 29.700 -0.160 0.000 0.746 704 E HN 0.770 nan 8.360 nan 0.000 0.452 705 A N 0.548 123.269 122.820 -0.164 0.000 1.873 705 A HA -0.203 4.317 4.320 0.334 0.000 0.218 705 A C 2.424 179.948 177.584 -0.101 0.000 1.193 705 A CA 1.884 53.847 52.037 -0.123 0.000 0.629 705 A CB -0.871 18.050 19.000 -0.132 0.000 0.826 705 A HN 0.250 nan 8.150 nan 0.000 0.447 706 V N -0.348 119.496 119.914 -0.117 0.000 2.427 706 V HA -0.187 4.133 4.120 0.334 0.000 0.248 706 V C 3.024 179.077 176.094 -0.070 0.000 1.051 706 V CA 1.724 63.976 62.300 -0.081 0.000 1.048 706 V CB -1.185 30.605 31.823 -0.055 0.000 0.666 706 V HN 0.641 nan 8.190 nan 0.000 0.456 707 A N -0.027 122.792 122.820 -0.002 0.000 1.940 707 A HA -0.296 4.224 4.320 0.334 0.000 0.219 707 A C 2.336 179.895 177.584 -0.042 0.000 1.176 707 A CA 2.316 54.368 52.037 0.025 0.000 0.631 707 A CB -0.484 18.556 19.000 0.067 0.000 0.814 707 A HN 0.544 nan 8.150 nan 0.000 0.446 708 K N -0.553 119.817 120.400 -0.050 0.000 2.026 708 K HA -0.206 4.314 4.320 0.334 0.000 0.208 708 K C 2.160 178.751 176.600 -0.015 0.000 1.048 708 K CA 1.580 57.846 56.287 -0.034 0.000 0.929 708 K CB -0.175 32.306 32.500 -0.031 0.000 0.713 708 K HN 0.453 nan 8.250 nan 0.000 0.439 709 E N 1.081 121.260 120.200 -0.034 0.000 2.077 709 E HA -0.178 4.373 4.350 0.334 0.000 0.193 709 E C 2.023 178.598 176.600 -0.041 0.000 0.989 709 E CA 1.310 57.694 56.400 -0.026 0.000 0.800 709 E CB -0.123 29.555 29.700 -0.037 0.000 0.746 709 E HN 0.418 nan 8.360 nan 0.000 0.452 710 I N 1.217 121.709 120.570 -0.130 0.000 2.163 710 I HA -0.283 4.087 4.170 0.334 0.000 0.240 710 I C 2.756 178.791 176.117 -0.137 0.000 1.081 710 I CA 1.336 62.490 61.300 -0.243 0.000 1.353 710 I CB -0.493 37.135 38.000 -0.621 0.000 1.054 710 I HN 0.126 nan 8.210 nan 0.000 0.407 711 S N 0.861 116.509 115.700 -0.087 0.000 2.359 711 S HA -0.267 4.403 4.470 0.334 0.000 0.223 711 S C 1.790 176.692 174.600 0.503 0.000 1.039 711 S CA 1.585 59.859 58.200 0.123 0.000 1.042 711 S CB -0.783 62.316 63.200 -0.168 0.000 0.915 711 S HN 0.503 nan 8.310 nan 0.000 0.439 712 E N 0.817 121.211 120.200 0.324 0.000 2.204 712 E HA -0.058 4.493 4.350 0.334 0.000 0.194 712 E C 2.332 179.078 176.600 0.242 0.000 0.989 712 E CA 0.611 57.197 56.400 0.310 0.000 0.824 712 E CB -0.151 29.655 29.700 0.176 0.000 0.756 712 E HN 0.550 nan 8.360 nan 0.000 0.477 713 R N 1.143 121.752 120.500 0.181 0.000 2.153 713 R HA -0.033 4.508 4.340 0.334 0.000 0.218 713 R C 2.279 178.688 176.300 0.182 0.000 1.072 713 R CA 0.868 57.049 56.100 0.135 0.000 0.990 713 R CB 0.056 30.400 30.300 0.074 0.000 0.889 713 R HN 0.280 nan 8.270 nan 0.000 0.452 714 I N -3.311 117.429 120.570 0.283 0.000 3.941 714 I HA 0.051 4.422 4.170 0.334 0.000 0.321 714 I C 1.670 178.067 176.117 0.467 0.000 1.284 714 I CA -0.077 61.448 61.300 0.375 0.000 1.226 714 I CB -0.372 37.885 38.000 0.428 0.000 1.045 714 I HN -0.013 nan 8.210 nan 0.000 0.420 715 Y N 2.694 123.204 120.300 0.350 0.000 2.014 715 Y HA -0.369 4.382 4.550 0.334 0.000 0.272 715 Y C 2.705 178.664 175.900 0.099 0.000 1.164 715 Y CA 2.737 60.898 58.100 0.101 0.000 1.114 715 Y CB -0.118 38.165 38.460 -0.295 0.000 0.961 715 Y HN 0.308 nan 8.280 nan 0.000 0.489 716 E N 0.406 120.605 120.200 -0.002 0.000 2.031 716 E HA -0.298 4.252 4.350 0.334 0.000 0.193 716 E C 2.311 178.813 176.600 -0.163 0.000 0.994 716 E CA 1.772 58.103 56.400 -0.116 0.000 0.800 716 E CB -0.317 29.392 29.700 0.015 0.000 0.752 716 E HN 0.606 nan 8.360 nan 0.000 0.447 717 K N -0.320 119.991 120.400 -0.149 0.000 2.074 717 K HA -0.225 4.295 4.320 0.334 0.000 0.209 717 K C 1.767 178.215 176.600 -0.253 0.000 1.048 717 K CA 1.877 58.010 56.287 -0.255 0.000 0.926 717 K CB -0.485 31.715 32.500 -0.499 0.000 0.713 717 K HN 0.277 nan 8.250 nan 0.000 0.444 718 Y N 0.496 120.813 120.300 0.029 0.000 2.365 718 Y HA 0.075 4.826 4.550 0.334 0.000 0.293 718 Y C 2.705 178.269 175.900 -0.561 0.000 1.119 718 Y CA 0.445 58.499 58.100 -0.076 0.000 1.203 718 Y CB -0.009 38.534 38.460 0.138 0.000 1.026 718 Y HN 0.024 nan 8.280 nan 0.000 0.549 719 R N 1.160 121.283 120.500 -0.628 0.000 2.120 719 R HA -0.153 4.387 4.340 0.334 0.000 0.234 719 R C 0.979 177.018 176.300 -0.434 0.000 1.123 719 R CA 1.222 56.808 56.100 -0.857 0.000 0.975 719 R CB -0.411 29.409 30.300 -0.801 0.000 0.866 719 R HN 0.355 nan 8.270 nan 0.000 0.446 720 N N 0.736 119.276 118.700 -0.266 0.000 2.459 720 N HA -0.074 4.866 4.740 0.334 0.000 0.181 720 N C 1.590 177.017 175.510 -0.138 0.000 1.046 720 N CA 0.663 53.624 53.050 -0.148 0.000 0.904 720 N CB 0.017 38.463 38.487 -0.069 0.000 0.964 720 N HN 0.315 nan 8.380 nan 0.000 0.444 721 L N -0.396 120.723 121.223 -0.174 0.000 2.416 721 L HA 0.087 4.627 4.340 0.334 0.000 0.216 721 L C 1.929 178.713 176.870 -0.143 0.000 1.098 721 L CA 0.100 54.844 54.840 -0.160 0.000 0.840 721 L CB -0.075 41.888 42.059 -0.161 0.000 0.981 721 L HN -0.114 nan 8.230 nan 0.000 0.462 722 V N 1.261 121.054 119.914 -0.201 0.000 2.324 722 V HA -0.192 4.128 4.120 0.334 0.000 0.250 722 V C -0.151 175.942 176.094 -0.002 0.000 1.060 722 V CA 2.144 64.368 62.300 -0.126 0.000 1.042 722 V CB -1.690 30.023 31.823 -0.184 0.000 0.650 722 V HN 0.399 nan 8.190 nan 0.000 0.450 723 P HA -0.084 nan 4.420 nan 0.000 0.230 723 P C 1.489 178.787 177.300 -0.004 0.000 1.158 723 P CA 1.183 64.282 63.100 -0.002 0.000 0.769 723 P CB -0.042 31.635 31.700 -0.039 0.000 0.807 724 L N -1.433 119.777 121.223 -0.023 0.000 2.446 724 L HA 0.088 4.628 4.340 0.334 0.000 0.219 724 L C 1.158 178.038 176.870 0.017 0.000 1.116 724 L CA 0.028 54.849 54.840 -0.032 0.000 0.844 724 L CB -0.627 41.386 42.059 -0.077 0.000 0.970 724 L HN -0.108 nan 8.230 nan 0.000 0.457 725 C N 0.993 120.338 119.300 0.075 0.000 2.585 725 C HA 0.146 4.806 4.460 0.334 0.000 0.406 725 C C 1.529 176.700 174.990 0.301 0.000 1.312 725 C CA -0.338 58.780 59.018 0.167 0.000 1.924 725 C CB 0.632 28.453 27.740 0.134 0.000 2.578 725 C HN 0.307 nan 8.230 nan 0.000 0.580 726 K N 0.488 121.047 120.400 0.265 0.000 2.435 726 K HA 0.123 4.643 4.320 0.334 0.000 0.199 726 K C 0.981 177.745 176.600 0.273 0.000 1.153 726 K CA 0.435 56.841 56.287 0.198 0.000 0.974 726 K CB 0.344 32.911 32.500 0.111 0.000 0.997 726 K HN 0.886 nan 8.250 nan 0.000 0.547 727 T N -2.909 111.872 114.554 0.378 0.000 2.926 727 T HA 0.394 4.944 4.350 0.334 0.000 0.289 727 T C 0.791 175.726 174.700 0.392 0.000 1.054 727 T CA -0.840 61.480 62.100 0.367 0.000 1.015 727 T CB 2.063 71.093 68.868 0.270 0.000 1.167 727 T HN -0.166 nan 8.240 nan 0.000 0.526 728 R N -0.351 120.315 120.500 0.277 0.000 2.120 728 R HA -0.064 4.477 4.340 0.334 0.000 0.234 728 R C 1.822 178.117 176.300 -0.008 0.000 1.123 728 R CA 1.500 57.550 56.100 -0.083 0.000 0.975 728 R CB -1.462 28.588 30.300 -0.416 0.000 0.866 728 R HN 0.771 nan 8.270 nan 0.000 0.446 729 Y N 1.175 121.586 120.300 0.184 0.000 2.181 729 Y HA -0.168 4.582 4.550 0.334 0.000 0.288 729 Y C 1.518 177.500 175.900 0.135 0.000 1.146 729 Y CA 1.997 60.279 58.100 0.304 0.000 1.164 729 Y CB -0.328 38.289 38.460 0.262 0.000 0.982 729 Y HN 0.151 nan 8.280 nan 0.000 0.515 730 D N 0.171 120.611 120.400 0.066 0.000 2.106 730 D HA -0.254 4.586 4.640 0.334 0.000 0.191 730 D C 2.464 178.668 176.300 -0.161 0.000 0.997 730 D CA 1.521 55.495 54.000 -0.044 0.000 0.834 730 D CB -0.728 40.113 40.800 0.068 0.000 0.956 730 D HN 0.376 nan 8.370 nan 0.000 0.448 731 L N 0.535 121.588 121.223 -0.284 0.000 2.042 731 L HA -0.224 4.316 4.340 0.334 0.000 0.210 731 L C 2.452 179.197 176.870 -0.209 0.000 1.076 731 L CA 1.341 55.934 54.840 -0.412 0.000 0.749 731 L CB -0.314 41.197 42.059 -0.915 0.000 0.893 731 L HN 0.035 nan 8.230 nan 0.000 0.432 732 S N 0.177 115.795 115.700 -0.137 0.000 2.359 732 S HA -0.257 4.414 4.470 0.334 0.000 0.224 732 S C 1.575 176.113 174.600 -0.103 0.000 1.035 732 S CA 2.182 60.365 58.200 -0.029 0.000 1.018 732 S CB -0.311 62.977 63.200 0.147 0.000 0.876 732 S HN 0.550 nan 8.310 nan 0.000 0.448 733 N N 0.348 118.916 118.700 -0.221 0.000 2.094 733 N HA -0.098 4.843 4.740 0.334 0.000 0.191 733 N C 1.652 177.124 175.510 -0.063 0.000 1.023 733 N CA 1.674 54.620 53.050 -0.173 0.000 0.857 733 N CB -0.399 37.957 38.487 -0.218 0.000 1.013 733 N HN 0.273 nan 8.380 nan 0.000 0.426 734 V N 0.753 120.636 119.914 -0.051 0.000 2.323 734 V HA -0.124 4.196 4.120 0.334 0.000 0.244 734 V C 2.050 178.162 176.094 0.031 0.000 1.041 734 V CA 1.248 63.563 62.300 0.026 0.000 1.025 734 V CB -0.445 31.376 31.823 -0.004 0.000 0.656 734 V HN 0.301 nan 8.190 nan 0.000 0.451 735 I N -0.190 120.409 120.570 0.047 0.000 2.226 735 I HA -0.206 4.165 4.170 0.334 0.000 0.245 735 I C 2.366 178.487 176.117 0.006 0.000 1.100 735 I CA 1.225 62.575 61.300 0.082 0.000 1.374 735 I CB -0.302 37.742 38.000 0.073 0.000 1.057 735 I HN 0.153 nan 8.210 nan 0.000 0.413 736 V N 0.462 120.376 119.914 0.000 0.000 2.427 736 V HA -0.221 4.100 4.120 0.334 0.000 0.248 736 V C 2.458 178.537 176.094 -0.025 0.000 1.051 736 V CA 1.623 63.937 62.300 0.023 0.000 1.048 736 V CB -0.580 31.270 31.823 0.047 0.000 0.666 736 V HN 0.394 nan 8.190 nan 0.000 0.456 737 E N 0.218 120.356 120.200 -0.103 0.000 2.077 737 E HA -0.255 4.295 4.350 0.334 0.000 0.193 737 E C 2.194 178.485 176.600 -0.515 0.000 0.989 737 E CA 1.904 58.179 56.400 -0.208 0.000 0.800 737 E CB -0.338 29.322 29.700 -0.066 0.000 0.746 737 E HN 0.747 nan 8.360 nan 0.000 0.452 738 M N 0.271 119.417 119.600 -0.757 0.000 2.254 738 M HA -0.085 4.596 4.480 0.334 0.000 0.265 738 M C 1.798 178.012 176.300 -0.143 0.000 1.066 738 M CA 1.571 56.449 55.300 -0.703 0.000 1.123 738 M CB -0.283 32.094 32.600 -0.371 0.000 1.388 738 M HN -0.122 nan 8.290 nan 0.000 0.425 739 Q N 0.572 120.344 119.800 -0.048 0.000 2.124 739 Q HA -0.016 4.524 4.340 0.334 0.000 0.202 739 Q C 2.177 178.242 176.000 0.108 0.000 0.977 739 Q CA 1.424 57.273 55.803 0.078 0.000 0.850 739 Q CB -0.626 28.146 28.738 0.057 0.000 0.901 739 Q HN 0.806 nan 8.270 nan 0.000 0.429 740 G N 0.862 109.678 108.800 0.027 0.000 2.509 740 G HA2 -0.215 3.945 3.960 0.334 0.000 0.218 740 G HA3 -0.215 3.945 3.960 0.334 0.000 0.218 740 G C 1.117 176.012 174.900 -0.009 0.000 1.124 740 G CA 0.276 45.389 45.100 0.021 0.000 0.776 740 G HN 0.208 nan 8.290 nan 0.000 0.547 741 E N 0.021 120.186 120.200 -0.057 0.000 2.333 741 E HA -0.090 4.460 4.350 0.334 0.000 0.198 741 E C 1.438 177.912 176.600 -0.212 0.000 1.007 741 E CA 0.438 56.775 56.400 -0.105 0.000 0.845 741 E CB -0.177 29.468 29.700 -0.091 0.000 0.766 741 E HN 0.667 nan 8.360 nan 0.000 0.507 742 Y N 0.607 120.830 120.300 -0.128 0.000 2.583 742 Y HA 0.037 4.787 4.550 0.335 0.000 0.293 742 Y C 0.651 176.494 175.900 -0.096 0.000 1.157 742 Y CA 0.316 58.270 58.100 -0.245 0.000 1.315 742 Y CB -0.011 38.224 38.460 -0.376 0.000 1.021 742 Y HN -0.092 nan 8.280 nan 0.000 0.536 743 R N 0.429 120.993 120.500 0.106 0.000 3.405 743 R HA -0.176 4.364 4.340 0.334 0.000 0.258 743 R C -0.724 175.708 176.300 0.221 0.000 1.030 743 R CA 0.960 57.211 56.100 0.252 0.000 0.691 743 R CB -2.501 27.941 30.300 0.237 0.000 1.093 743 R HN 0.093 nan 8.270 nan 0.000 0.448 744 T N -0.973 113.498 114.554 -0.138 0.000 2.903 744 T HA 0.400 4.950 4.350 0.334 0.000 0.299 744 T C 0.144 174.162 174.700 -1.136 0.000 1.093 744 T CA -0.394 61.500 62.100 -0.344 0.000 1.002 744 T CB 1.910 70.882 68.868 0.173 0.000 1.127 744 T HN 0.246 nan 8.240 nan 0.000 0.488 745 S N 0.700 115.553 115.700 -1.411 0.000 2.596 745 S HA 0.263 4.933 4.470 0.334 0.000 0.260 745 S C 0.065 174.395 174.600 -0.449 0.000 1.336 745 S CA 0.017 57.343 58.200 -1.456 0.000 0.993 745 S CB -0.295 62.221 63.200 -1.141 0.000 0.923 745 S HN 0.972 nan 8.310 nan 0.000 0.567 746 H N -1.431 117.390 119.070 -0.414 0.000 2.903 746 H HA -0.118 4.638 4.556 0.334 0.000 0.285 746 H C -0.469 174.374 175.328 -0.807 0.000 1.231 746 H CA 0.819 56.377 56.048 -0.817 0.000 1.135 746 H CB -2.434 27.063 29.762 -0.441 0.000 1.328 746 H HN 0.512 nan 8.280 nan 0.000 0.388 747 S N 1.063 116.541 115.700 -0.370 0.000 2.543 747 S HA 0.375 5.045 4.470 0.334 0.000 0.299 747 S C -0.039 174.609 174.600 0.079 0.000 1.125 747 S CA -0.631 57.490 58.200 -0.130 0.000 1.098 747 S CB 0.150 63.338 63.200 -0.020 0.000 1.063 747 S HN 0.318 nan 8.310 nan 0.000 0.493 748 Y N 1.177 121.498 120.300 0.036 0.000 2.602 748 Y HA 0.550 5.300 4.550 0.334 0.000 0.330 748 Y C 0.623 176.518 175.900 -0.008 0.000 1.114 748 Y CA -1.347 56.745 58.100 -0.014 0.000 1.182 748 Y CB 1.198 39.643 38.460 -0.024 0.000 1.305 748 Y HN 0.366 nan 8.280 nan 0.000 0.502 749 E N 2.395 122.690 120.200 0.159 0.000 2.316 749 E HA 0.363 4.913 4.350 0.334 0.000 0.254 749 E C -1.760 174.879 176.600 0.065 0.000 0.902 749 E CA -0.410 56.053 56.400 0.106 0.000 0.801 749 E CB 0.838 30.597 29.700 0.097 0.000 1.270 749 E HN 0.606 nan 8.360 nan 0.000 0.414 750 M N 2.542 122.190 119.600 0.080 0.000 2.664 750 M HA 0.677 5.358 4.480 0.334 0.000 0.314 750 M C 0.622 176.981 176.300 0.098 0.000 1.200 750 M CA -0.327 54.998 55.300 0.043 0.000 0.916 750 M CB 1.846 34.457 32.600 0.019 0.000 1.717 750 M HN 0.719 nan 8.290 nan 0.000 0.470 751 G N 0.791 109.644 108.800 0.088 0.000 2.601 751 G HA2 0.227 4.387 3.960 0.334 0.000 0.252 751 G HA3 0.227 4.387 3.960 0.334 0.000 0.252 751 G C 0.071 175.148 174.900 0.296 0.000 1.294 751 G CA -0.048 45.138 45.100 0.143 0.000 0.912 751 G HN 1.846 nan 8.290 nan 0.000 0.574 752 G N -3.535 105.424 108.800 0.265 0.000 2.746 752 G HA2 0.417 4.577 3.960 0.334 0.000 0.685 752 G HA3 0.417 4.577 3.960 0.334 0.000 0.685 752 G C -0.275 174.829 174.900 0.341 0.000 1.350 752 G CA 0.467 45.736 45.100 0.281 0.000 0.837 752 G HN 2.048 nan 8.290 nan 0.000 0.564 753 T N 1.210 115.880 114.554 0.193 0.000 2.772 753 T HA 0.592 5.142 4.350 0.334 0.000 0.288 753 T C 0.557 175.283 174.700 0.042 0.000 0.994 753 T CA -0.075 62.165 62.100 0.233 0.000 0.951 753 T CB 0.846 69.904 68.868 0.316 0.000 0.933 753 T HN 0.446 nan 8.240 nan 0.000 0.447 754 F N 1.303 121.321 119.950 0.114 0.000 2.717 754 F HA 0.331 5.058 4.527 0.333 0.000 0.297 754 F C 1.496 177.345 175.800 0.082 0.000 1.113 754 F CA -0.282 57.785 58.000 0.111 0.000 1.319 754 F CB 1.037 40.098 39.000 0.102 0.000 1.097 754 F HN 0.467 nan 8.300 nan 0.000 0.595 755 T N -1.015 113.674 114.554 0.224 0.000 2.749 755 T HA 0.204 4.754 4.350 0.334 0.000 0.310 755 T C -1.094 173.656 174.700 0.082 0.000 1.496 755 T CA -0.489 61.683 62.100 0.120 0.000 1.006 755 T CB 1.270 70.181 68.868 0.073 0.000 1.457 755 T HN 0.133 nan 8.240 nan 0.000 0.497 756 D N 0.217 120.642 120.400 0.042 0.000 2.398 756 D HA 0.218 5.059 4.640 0.334 0.000 0.210 756 D C 0.092 176.385 176.300 -0.012 0.000 1.094 756 D CA -0.214 53.802 54.000 0.025 0.000 0.839 756 D CB 0.248 41.062 40.800 0.024 0.000 0.963 756 D HN 0.129 nan 8.370 nan 0.000 0.506 757 K N 1.933 122.311 120.400 -0.037 0.000 2.379 757 K HA 0.114 4.634 4.320 0.334 0.000 0.284 757 K C -0.010 176.525 176.600 -0.110 0.000 1.044 757 K CA -0.284 55.948 56.287 -0.092 0.000 0.974 757 K CB 0.685 33.095 32.500 -0.149 0.000 0.962 757 K HN 0.205 nan 8.250 nan 0.000 0.474 758 D N 4.171 124.504 120.400 -0.111 0.000 2.400 758 D HA 0.046 4.886 4.640 0.334 0.000 0.238 758 D C -1.940 174.262 176.300 -0.163 0.000 1.157 758 D CA -0.862 53.078 54.000 -0.099 0.000 0.889 758 D CB 0.215 40.972 40.800 -0.072 0.000 1.199 758 D HN 0.266 nan 8.370 nan 0.000 0.436 759 P HA 0.027 nan 4.420 nan 0.000 0.269 759 P C -0.189 177.056 177.300 -0.091 0.000 1.215 759 P CA -0.209 62.833 63.100 -0.097 0.000 0.780 759 P CB 0.381 32.072 31.700 -0.015 0.000 0.898 760 F N 1.754 121.708 119.950 0.006 0.000 2.553 760 F HA 0.121 4.848 4.527 0.334 0.000 0.356 760 F C 1.792 177.604 175.800 0.021 0.000 1.142 760 F CA 0.705 58.712 58.000 0.010 0.000 1.322 760 F CB 0.275 39.270 39.000 -0.009 0.000 1.126 760 F HN 0.062 nan 8.300 nan 0.000 0.599 761 R N 1.326 121.980 120.500 0.256 0.000 2.664 761 R HA 0.591 5.131 4.340 0.334 0.000 0.286 761 R C -0.801 175.606 176.300 0.179 0.000 0.967 761 R CA -0.806 55.396 56.100 0.170 0.000 0.933 761 R CB 1.913 32.290 30.300 0.128 0.000 1.146 761 R HN 0.590 nan 8.270 nan 0.000 0.468 762 S N -0.075 115.709 115.700 0.140 0.000 2.541 762 S HA 0.648 5.318 4.470 0.334 0.000 0.280 762 S C -0.778 173.894 174.600 0.119 0.000 1.112 762 S CA -0.599 57.689 58.200 0.147 0.000 0.925 762 S CB 1.769 65.055 63.200 0.144 0.000 1.067 762 S HN 0.741 nan 8.310 nan 0.000 0.479 763 G N 3.080 111.954 108.800 0.123 0.000 2.368 763 G HA2 0.671 4.832 3.960 0.334 0.000 0.320 763 G HA3 0.671 4.832 3.960 0.334 0.000 0.320 763 G C -0.981 173.995 174.900 0.126 0.000 1.158 763 G CA -0.639 44.518 45.100 0.095 0.000 0.912 763 G HN 0.684 nan 8.290 nan 0.000 0.456 764 R N 1.042 121.605 120.500 0.105 0.000 2.744 764 R HA 0.501 5.041 4.340 0.334 0.000 0.279 764 R C 0.340 176.702 176.300 0.105 0.000 0.977 764 R CA -0.810 55.359 56.100 0.116 0.000 0.906 764 R CB 2.241 32.585 30.300 0.074 0.000 1.197 764 R HN 0.580 nan 8.270 nan 0.000 0.463 765 I N -1.323 119.321 120.570 0.124 0.000 3.817 765 I HA 0.468 4.838 4.170 0.334 0.000 0.322 765 I C 0.093 176.279 176.117 0.114 0.000 1.512 765 I CA -0.463 60.910 61.300 0.121 0.000 1.066 765 I CB 1.384 39.470 38.000 0.143 0.000 1.336 765 I HN 0.680 nan 8.210 nan 0.000 0.539 766 A N 0.552 123.420 122.820 0.081 0.000 2.610 766 A HA -0.191 4.329 4.320 0.334 0.000 0.299 766 A C 0.065 177.767 177.584 0.196 0.000 1.487 766 A CA 0.905 52.997 52.037 0.091 0.000 0.743 766 A CB -2.519 16.558 19.000 0.128 0.000 1.070 766 A HN 0.685 nan 8.150 nan 0.000 0.439 767 C N 0.328 119.635 119.300 0.012 0.000 2.797 767 C HA 0.682 5.342 4.460 0.334 0.000 0.306 767 C C -0.415 174.263 174.990 -0.520 0.000 1.207 767 C CA -0.906 58.009 59.018 -0.172 0.000 1.507 767 C CB 1.999 29.576 27.740 -0.272 0.000 2.028 767 C HN 0.663 nan 8.230 nan 0.000 0.475 768 D N 1.302 121.484 120.400 -0.363 0.000 2.193 768 D HA 0.585 5.425 4.640 0.334 0.000 0.244 768 D C -0.788 175.267 176.300 -0.409 0.000 1.064 768 D CA 0.135 53.953 54.000 -0.302 0.000 0.845 768 D CB 0.876 41.682 40.800 0.011 0.000 1.148 768 D HN 0.307 nan 8.370 nan 0.000 0.464 769 F N 0.892 120.968 119.950 0.211 0.000 2.458 769 F HA 0.430 5.157 4.527 0.334 0.000 0.330 769 F C 0.820 176.807 175.800 0.311 0.000 1.082 769 F CA -0.986 57.132 58.000 0.196 0.000 0.995 769 F CB 1.881 40.886 39.000 0.007 0.000 1.170 769 F HN -0.105 nan 8.300 nan 0.000 0.478 770 K N 3.312 124.005 120.400 0.487 0.000 2.507 770 K HA 0.325 4.845 4.320 0.334 0.000 0.252 770 K C -1.577 175.210 176.600 0.313 0.000 0.943 770 K CA -0.766 55.740 56.287 0.364 0.000 0.808 770 K CB 1.563 34.205 32.500 0.236 0.000 1.142 770 K HN 0.651 nan 8.250 nan 0.000 0.426 771 L N 4.965 126.317 121.223 0.215 0.000 2.407 771 L HA 0.210 4.750 4.340 0.334 0.000 0.282 771 L C -0.840 176.023 176.870 -0.011 0.000 1.110 771 L CA 0.813 55.618 54.840 -0.059 0.000 0.863 771 L CB 0.408 42.360 42.059 -0.178 0.000 1.207 771 L HN 0.799 nan 8.230 nan 0.000 0.454 772 D N 4.711 125.110 120.400 -0.002 0.000 2.472 772 D HA 0.458 5.298 4.640 0.334 0.000 0.234 772 D C 0.712 177.012 176.300 -0.000 0.000 1.088 772 D CA 0.797 54.811 54.000 0.023 0.000 0.882 772 D CB 1.172 42.008 40.800 0.060 0.000 1.037 772 D HN 0.881 nan 8.370 nan 0.000 0.520 773 G N 5.009 113.794 108.800 -0.026 0.000 2.559 773 G HA2 -0.297 3.864 3.960 0.334 0.000 0.282 773 G HA3 -0.297 3.864 3.960 0.334 0.000 0.282 773 G C 0.529 175.364 174.900 -0.109 0.000 1.177 773 G CA 0.479 45.554 45.100 -0.041 0.000 0.960 773 G HN 0.594 nan 8.290 nan 0.000 0.540 774 D N 0.428 120.740 120.400 -0.147 0.000 2.395 774 D HA 0.176 5.017 4.640 0.334 0.000 0.213 774 D C 0.250 176.276 176.300 -0.457 0.000 1.110 774 D CA 0.237 54.062 54.000 -0.292 0.000 0.835 774 D CB -0.024 40.590 40.800 -0.309 0.000 0.965 774 D HN 0.601 nan 8.370 nan 0.000 0.505 775 H N -0.095 118.889 119.070 -0.143 0.000 2.690 775 H HA 0.252 5.008 4.556 0.334 0.000 0.368 775 H C -0.939 174.313 175.328 -0.126 0.000 1.150 775 H CA -0.586 55.394 56.048 -0.113 0.000 1.174 775 H CB 1.348 31.091 29.762 -0.031 0.000 1.684 775 H HN -0.036 nan 8.280 nan 0.000 0.538 776 Y N 0.757 121.123 120.300 0.110 0.000 2.316 776 Y HA 0.225 4.975 4.550 0.334 0.000 0.331 776 Y C 0.516 176.485 175.900 0.115 0.000 1.083 776 Y CA -0.235 57.907 58.100 0.070 0.000 1.206 776 Y CB 1.425 39.838 38.460 -0.078 0.000 1.195 776 Y HN 0.222 nan 8.280 nan 0.000 0.497 777 V N 4.875 124.980 119.914 0.318 0.000 2.628 777 V HA 0.449 4.770 4.120 0.334 0.000 0.306 777 V C -0.842 175.434 176.094 0.303 0.000 1.045 777 V CA -0.879 61.566 62.300 0.241 0.000 0.905 777 V CB 1.789 33.703 31.823 0.151 0.000 0.997 777 V HN 0.506 nan 8.190 nan 0.000 0.436 778 V N 7.820 127.892 119.914 0.263 0.000 2.381 778 V HA 0.233 4.554 4.120 0.334 0.000 0.257 778 V C 1.395 177.555 176.094 0.110 0.000 1.057 778 V CA 0.776 63.206 62.300 0.215 0.000 1.013 778 V CB 0.200 32.129 31.823 0.177 0.000 1.069 778 V HN 1.119 nan 8.190 nan 0.000 0.484 779 A N 5.000 127.872 122.820 0.086 0.000 2.014 779 A HA 0.071 4.591 4.320 0.334 0.000 0.218 779 A C 1.056 178.629 177.584 -0.019 0.000 1.163 779 A CA 0.971 53.039 52.037 0.052 0.000 0.652 779 A CB 0.107 19.155 19.000 0.081 0.000 0.808 779 A HN 0.668 nan 8.150 nan 0.000 0.449 780 K N -1.528 118.823 120.400 -0.081 0.000 2.569 780 K HA 0.541 5.062 4.320 0.334 0.000 0.259 780 K C -1.901 174.552 176.600 -0.245 0.000 0.932 780 K CA -0.196 55.970 56.287 -0.203 0.000 0.833 780 K CB 1.641 33.941 32.500 -0.333 0.000 1.340 780 K HN 0.186 nan 8.250 nan 0.000 0.429 781 A N 3.693 126.397 122.820 -0.194 0.000 2.304 781 A HA 0.574 5.094 4.320 0.334 0.000 0.314 781 A C -1.614 175.969 177.584 -0.002 0.000 1.187 781 A CA -0.521 51.501 52.037 -0.024 0.000 0.810 781 A CB 0.281 19.297 19.000 0.027 0.000 1.183 781 A HN 0.575 nan 8.150 nan 0.000 0.487 782 Y N 1.110 121.496 120.300 0.143 0.000 2.299 782 Y HA 0.546 5.296 4.550 0.334 0.000 0.326 782 Y C 0.707 176.615 175.900 0.012 0.000 1.164 782 Y CA 0.372 58.504 58.100 0.054 0.000 1.234 782 Y CB 1.680 40.124 38.460 -0.027 0.000 1.219 782 Y HN 0.883 nan 8.280 nan 0.000 0.497 783 A N 1.439 124.227 122.820 -0.054 0.000 2.488 783 A HA 0.669 5.190 4.320 0.334 0.000 0.295 783 A C 0.014 177.335 177.584 -0.438 0.000 1.045 783 A CA -0.051 51.736 52.037 -0.415 0.000 0.703 783 A CB 0.762 19.190 19.000 -0.953 0.000 1.271 783 A HN 0.850 nan 8.150 nan 0.000 0.400 784 G N 0.092 108.634 108.800 -0.429 0.000 2.992 784 G HA2 0.405 4.565 3.960 0.334 0.000 0.195 784 G HA3 0.405 4.565 3.960 0.334 0.000 0.195 784 G C -0.392 174.258 174.900 -0.415 0.000 2.032 784 G CA 0.539 45.427 45.100 -0.355 0.000 0.831 784 G HN 0.687 nan 8.290 nan 0.000 0.647 785 D N -0.546 119.684 120.400 -0.284 0.000 2.313 785 D HA 0.239 5.079 4.640 0.334 0.000 0.239 785 D C 0.568 176.752 176.300 -0.193 0.000 1.142 785 D CA -0.634 53.250 54.000 -0.192 0.000 0.847 785 D CB 1.008 41.765 40.800 -0.072 0.000 1.082 785 D HN 0.212 nan 8.370 nan 0.000 0.480 786 Y N 1.826 122.059 120.300 -0.112 0.000 2.256 786 Y HA -0.169 4.581 4.550 0.334 0.000 0.288 786 Y C 2.518 178.376 175.900 -0.069 0.000 1.155 786 Y CA 0.987 59.009 58.100 -0.129 0.000 1.203 786 Y CB -0.063 38.309 38.460 -0.147 0.000 0.980 786 Y HN 0.360 nan 8.280 nan 0.000 0.530 787 S N -0.575 115.186 115.700 0.101 0.000 2.527 787 S HA -0.012 4.658 4.470 0.334 0.000 0.222 787 S C 0.612 175.235 174.600 0.039 0.000 0.985 787 S CA -0.062 58.175 58.200 0.061 0.000 0.921 787 S CB -0.268 62.962 63.200 0.050 0.000 0.772 787 S HN 0.304 nan 8.310 nan 0.000 0.529 788 N N 2.186 120.903 118.700 0.028 0.000 2.381 788 N HA 0.136 5.076 4.740 0.334 0.000 0.254 788 N C -0.003 175.531 175.510 0.040 0.000 1.264 788 N CA -0.067 53.004 53.050 0.035 0.000 0.942 788 N CB 0.332 38.845 38.487 0.042 0.000 1.190 788 N HN 0.339 nan 8.380 nan 0.000 0.495 789 E N -0.522 119.705 120.200 0.047 0.000 2.331 789 E HA 0.316 4.866 4.350 0.334 0.000 0.272 789 E C 0.161 176.806 176.600 0.076 0.000 1.036 789 E CA -0.447 55.978 56.400 0.041 0.000 0.864 789 E CB 0.294 30.000 29.700 0.011 0.000 1.035 789 E HN 0.706 nan 8.360 nan 0.000 0.408 790 G N 3.700 112.542 108.800 0.070 0.000 2.366 790 G HA2 -0.294 3.866 3.960 0.334 0.000 0.299 790 G HA3 -0.294 3.866 3.960 0.334 0.000 0.299 790 G C 0.154 175.147 174.900 0.155 0.000 1.020 790 G CA 0.848 46.012 45.100 0.106 0.000 1.026 790 G HN 0.712 nan 8.290 nan 0.000 0.512 791 E N -0.834 119.405 120.200 0.067 0.000 2.812 791 E HA 0.163 4.713 4.350 0.334 0.000 0.211 791 E C 0.722 177.266 176.600 -0.093 0.000 0.986 791 E CA 0.109 56.493 56.400 -0.027 0.000 1.119 791 E CB 0.435 30.084 29.700 -0.086 0.000 1.046 791 E HN 0.813 nan 8.360 nan 0.000 0.474 792 K N -0.951 119.444 120.400 -0.008 0.000 2.579 792 K HA 0.367 4.888 4.320 0.334 0.000 0.284 792 K C -0.558 176.180 176.600 0.229 0.000 0.990 792 K CA -0.824 55.475 56.287 0.020 0.000 0.880 792 K CB 1.487 33.898 32.500 -0.148 0.000 1.488 792 K HN -0.089 nan 8.250 nan 0.000 0.425 793 S N 1.358 117.330 115.700 0.453 0.000 2.552 793 S HA 0.091 4.762 4.470 0.334 0.000 0.289 793 S C -1.234 173.584 174.600 0.364 0.000 1.304 793 S CA -1.060 57.369 58.200 0.381 0.000 1.063 793 S CB 0.262 63.653 63.200 0.319 0.000 0.848 793 S HN 0.551 nan 8.310 nan 0.000 0.499 794 P HA -0.072 nan 4.420 nan 0.000 0.228 794 P C 1.200 178.624 177.300 0.208 0.000 1.151 794 P CA 0.917 64.132 63.100 0.192 0.000 0.770 794 P CB -0.052 31.734 31.700 0.144 0.000 0.786 795 I N -1.866 118.789 120.570 0.142 0.000 2.546 795 I HA -0.161 4.209 4.170 0.334 0.000 0.255 795 I C 2.120 178.283 176.117 0.077 0.000 1.163 795 I CA 0.968 62.312 61.300 0.073 0.000 1.457 795 I CB -0.663 37.254 38.000 -0.138 0.000 1.092 795 I HN -0.188 nan 8.210 nan 0.000 0.434 796 F N 1.349 121.369 119.950 0.115 0.000 2.250 796 F HA -0.203 4.524 4.527 0.334 0.000 0.301 796 F C 2.328 178.159 175.800 0.052 0.000 1.077 796 F CA 1.220 59.278 58.000 0.096 0.000 1.348 796 F CB -0.416 38.676 39.000 0.153 0.000 1.040 796 F HN 0.098 nan 8.300 nan 0.000 0.509 797 E N -1.301 119.016 120.200 0.195 0.000 2.409 797 E HA -0.189 4.362 4.350 0.334 0.000 0.198 797 E C 0.838 177.330 176.600 -0.181 0.000 1.024 797 E CA 0.677 57.070 56.400 -0.012 0.000 0.861 797 E CB -0.177 29.463 29.700 -0.100 0.000 0.788 797 E HN 0.552 nan 8.360 nan 0.000 0.521 798 Y N -0.503 119.814 120.300 0.029 0.000 2.468 798 Y HA 0.177 4.928 4.550 0.334 0.000 0.268 798 Y C 1.534 177.425 175.900 -0.014 0.000 1.177 798 Y CA 0.280 58.374 58.100 -0.009 0.000 1.265 798 Y CB 1.148 39.580 38.460 -0.046 0.000 1.103 798 Y HN 0.092 nan 8.280 nan 0.000 0.522 799 G N 1.277 110.137 108.800 0.100 0.000 2.157 799 G HA2 -0.281 3.879 3.960 0.334 0.000 0.248 799 G HA3 -0.281 3.879 3.960 0.334 0.000 0.248 799 G C 0.108 175.043 174.900 0.058 0.000 0.979 799 G CA 0.355 45.497 45.100 0.070 0.000 0.650 799 G HN 0.456 nan 8.290 nan 0.000 0.529 800 I N -3.154 117.433 120.570 0.027 0.000 2.969 800 I HA 0.807 5.178 4.170 0.334 0.000 0.307 800 I C -1.395 174.627 176.117 -0.159 0.000 1.149 800 I CA -1.461 59.821 61.300 -0.031 0.000 1.008 800 I CB 2.360 40.296 38.000 -0.106 0.000 1.232 800 I HN -0.076 nan 8.210 nan 0.000 0.435 801 D N 5.100 125.442 120.400 -0.096 0.000 2.329 801 D HA 0.381 5.221 4.640 0.334 0.000 0.232 801 D C -1.781 174.440 176.300 -0.131 0.000 1.088 801 D CA -2.463 51.396 54.000 -0.236 0.000 0.835 801 D CB 2.031 42.904 40.800 0.122 0.000 1.078 801 D HN 0.403 nan 8.370 nan 0.000 0.495 802 P HA -0.053 nan 4.420 nan 0.000 0.230 802 P C 0.147 177.575 177.300 0.214 0.000 1.158 802 P CA 0.145 63.184 63.100 -0.101 0.000 0.769 802 P CB -0.049 31.529 31.700 -0.205 0.000 0.807 803 T N 0.715 115.340 114.554 0.117 0.000 2.866 803 T HA 0.259 4.810 4.350 0.334 0.000 0.293 803 T C 1.561 176.327 174.700 0.109 0.000 1.005 803 T CA 1.426 63.586 62.100 0.099 0.000 1.162 803 T CB -0.208 68.698 68.868 0.062 0.000 0.968 803 T HN 0.390 nan 8.240 nan 0.000 0.530 804 G N 2.720 111.563 108.800 0.071 0.000 2.299 804 G HA2 -0.267 3.893 3.960 0.334 0.000 0.237 804 G HA3 -0.267 3.893 3.960 0.334 0.000 0.237 804 G C 0.142 175.024 174.900 -0.030 0.000 1.027 804 G CA -0.306 44.789 45.100 -0.007 0.000 0.619 804 G HN 0.705 nan 8.290 nan 0.000 0.513 805 Y N 0.869 121.168 120.300 -0.001 0.000 2.578 805 Y HA 0.454 5.204 4.550 0.334 0.000 0.339 805 Y C 1.414 177.322 175.900 0.013 0.000 1.231 805 Y CA 0.155 58.250 58.100 -0.009 0.000 1.461 805 Y CB 0.411 38.857 38.460 -0.023 0.000 1.323 805 Y HN 0.200 nan 8.280 nan 0.000 0.590 806 L N 4.648 125.952 121.223 0.135 0.000 2.289 806 L HA 0.378 4.919 4.340 0.334 0.000 0.285 806 L C -0.474 176.444 176.870 0.079 0.000 1.049 806 L CA -0.484 54.397 54.840 0.068 0.000 0.804 806 L CB 0.933 42.939 42.059 -0.088 0.000 1.195 806 L HN 0.471 nan 8.230 nan 0.000 0.428 807 I N 3.397 124.025 120.570 0.096 0.000 2.337 807 I HA 0.072 4.442 4.170 0.334 0.000 0.291 807 I C 0.982 177.135 176.117 0.061 0.000 1.046 807 I CA -0.218 61.106 61.300 0.041 0.000 1.324 807 I CB 1.280 39.256 38.000 -0.041 0.000 1.409 807 I HN 0.726 nan 8.210 nan 0.000 0.494 808 E N 4.614 124.829 120.200 0.025 0.000 2.075 808 E HA 0.003 4.553 4.350 0.334 0.000 0.190 808 E C -0.292 176.330 176.600 0.036 0.000 0.969 808 E CA 0.905 57.338 56.400 0.055 0.000 0.815 808 E CB 0.197 29.904 29.700 0.013 0.000 0.776 808 E HN 0.854 nan 8.360 nan 0.000 0.457 809 D N -1.334 119.056 120.400 -0.017 0.000 2.653 809 D HA 0.456 5.297 4.640 0.334 0.000 0.258 809 D C -0.950 175.307 176.300 -0.071 0.000 1.252 809 D CA -0.613 53.363 54.000 -0.040 0.000 0.777 809 D CB 1.052 41.835 40.800 -0.028 0.000 1.339 809 D HN -0.128 nan 8.370 nan 0.000 0.422 810 I N 0.545 121.066 120.570 -0.081 0.000 2.478 810 I HA 0.312 4.682 4.170 0.334 0.000 0.287 810 I C -0.648 175.427 176.117 -0.070 0.000 1.042 810 I CA -0.669 60.578 61.300 -0.089 0.000 1.067 810 I CB 1.885 39.813 38.000 -0.121 0.000 1.233 810 I HN 0.704 nan 8.210 nan 0.000 0.431 811 D N 5.081 125.445 120.400 -0.059 0.000 2.811 811 D HA -0.210 4.630 4.640 0.334 0.000 0.231 811 D C 1.056 177.332 176.300 -0.041 0.000 1.157 811 D CA 1.781 55.753 54.000 -0.046 0.000 0.716 811 D CB -0.741 40.033 40.800 -0.043 0.000 1.077 811 D HN 1.139 nan 8.370 nan 0.000 0.428 812 G N -0.454 108.321 108.800 -0.042 0.000 2.225 812 G HA2 -0.351 3.809 3.960 0.334 0.000 0.254 812 G HA3 -0.351 3.809 3.960 0.334 0.000 0.254 812 G C 0.086 174.965 174.900 -0.035 0.000 0.988 812 G CA 0.476 45.556 45.100 -0.034 0.000 0.625 812 G HN 0.722 nan 8.290 nan 0.000 0.527 813 E N 1.504 121.678 120.200 -0.044 0.000 2.146 813 E HA 0.520 5.070 4.350 0.334 0.000 0.282 813 E C 0.131 176.704 176.600 -0.046 0.000 0.989 813 E CA -0.277 56.096 56.400 -0.046 0.000 0.799 813 E CB 0.432 30.099 29.700 -0.056 0.000 1.088 813 E HN 0.106 nan 8.360 nan 0.000 0.397 814 T N 3.510 118.044 114.554 -0.033 0.000 2.888 814 T HA 0.200 4.751 4.350 0.334 0.000 0.301 814 T C -0.164 174.521 174.700 -0.026 0.000 1.001 814 T CA -0.327 61.761 62.100 -0.021 0.000 1.147 814 T CB 0.502 69.359 68.868 -0.018 0.000 0.931 814 T HN 0.379 nan 8.240 nan 0.000 0.541 815 V N 0.834 120.747 119.914 -0.002 0.000 2.715 815 V HA 1.075 5.395 4.120 0.334 0.000 0.310 815 V C 0.323 176.482 176.094 0.107 0.000 1.054 815 V CA -0.146 62.175 62.300 0.036 0.000 0.928 815 V CB 1.411 33.212 31.823 -0.037 0.000 1.007 815 V HN 1.128 nan 8.190 nan 0.000 0.437 816 G N 1.640 110.499 108.800 0.099 0.000 2.441 816 G HA2 0.529 4.689 3.960 0.334 0.000 0.222 816 G HA3 0.529 4.689 3.960 0.334 0.000 0.222 816 G C 0.657 175.364 174.900 -0.322 0.000 1.254 816 G CA 0.011 44.973 45.100 -0.231 0.000 0.959 816 G HN 1.599 nan 8.290 nan 0.000 0.474 817 A N -0.606 122.015 122.820 -0.333 0.000 1.929 817 A HA 0.143 4.663 4.320 0.334 0.000 0.221 817 A C 2.304 179.800 177.584 -0.147 0.000 1.211 817 A CA 3.352 55.245 52.037 -0.241 0.000 0.657 817 A CB -0.952 17.928 19.000 -0.200 0.000 0.827 817 A HN 2.122 nan 8.150 nan 0.000 0.462 818 G N -2.297 106.434 108.800 -0.116 0.000 3.453 818 G HA2 0.401 4.561 3.960 0.334 0.000 0.263 818 G HA3 0.401 4.561 3.960 0.334 0.000 0.263 818 G C 0.149 175.020 174.900 -0.049 0.000 1.060 818 G CA 0.859 45.915 45.100 -0.072 0.000 0.793 818 G HN 0.506 nan 8.290 nan 0.000 0.532 819 S N 0.834 116.514 115.700 -0.034 0.000 2.652 819 S HA 0.243 4.913 4.470 0.334 0.000 0.252 819 S C -0.595 174.039 174.600 0.057 0.000 1.219 819 S CA -0.798 57.396 58.200 -0.011 0.000 1.151 819 S CB 0.289 63.474 63.200 -0.025 0.000 1.080 819 S HN 0.225 nan 8.310 nan 0.000 0.481 820 N N 4.649 123.361 118.700 0.020 0.000 2.394 820 N HA -0.029 4.911 4.740 0.334 0.000 0.277 820 N C 1.106 176.513 175.510 -0.171 0.000 1.346 820 N CA 0.296 53.360 53.050 0.022 0.000 0.910 820 N CB 0.139 38.603 38.487 -0.037 0.000 1.201 820 N HN 0.828 nan 8.380 nan 0.000 0.488 821 I N 4.501 124.827 120.570 -0.405 0.000 2.493 821 I HA -0.253 4.117 4.170 0.334 0.000 0.254 821 I C 0.700 176.418 176.117 -0.665 0.000 1.160 821 I CA 1.001 61.846 61.300 -0.758 0.000 1.445 821 I CB 0.043 37.114 38.000 -1.548 0.000 1.086 821 I HN 0.509 nan 8.210 nan 0.000 0.433 822 Y N 0.619 120.730 120.300 -0.315 0.000 2.242 822 Y HA -0.206 4.545 4.550 0.334 0.000 0.291 822 Y C 2.702 178.361 175.900 -0.402 0.000 1.137 822 Y CA 1.578 59.551 58.100 -0.212 0.000 1.181 822 Y CB -0.717 37.703 38.460 -0.067 0.000 0.989 822 Y HN 0.134 nan 8.280 nan 0.000 0.527 823 R N 0.237 120.371 120.500 -0.610 0.000 2.075 823 R HA -0.109 4.431 4.340 0.334 0.000 0.232 823 R C 1.969 178.007 176.300 -0.436 0.000 1.126 823 R CA 1.493 56.968 56.100 -1.042 0.000 0.963 823 R CB -0.548 29.032 30.300 -1.201 0.000 0.858 823 R HN 0.178 nan 8.270 nan 0.000 0.435 824 V N 1.610 121.331 119.914 -0.323 0.000 2.332 824 V HA -0.267 4.053 4.120 0.334 0.000 0.248 824 V C 2.400 178.400 176.094 -0.158 0.000 1.055 824 V CA 1.797 63.970 62.300 -0.212 0.000 1.038 824 V CB -0.427 31.271 31.823 -0.209 0.000 0.651 824 V HN 0.354 nan 8.190 nan 0.000 0.450 825 L N -0.451 120.672 121.223 -0.166 0.000 2.046 825 L HA -0.150 4.390 4.340 0.334 0.000 0.208 825 L C 2.664 179.521 176.870 -0.021 0.000 1.077 825 L CA 1.585 56.377 54.840 -0.081 0.000 0.747 825 L CB -0.681 41.349 42.059 -0.048 0.000 0.896 825 L HN 0.296 nan 8.230 nan 0.000 0.432 826 S N -0.096 115.596 115.700 -0.014 0.000 2.374 826 S HA -0.233 4.438 4.470 0.334 0.000 0.227 826 S C 1.715 176.341 174.600 0.043 0.000 1.037 826 S CA 1.526 59.761 58.200 0.059 0.000 1.024 826 S CB -0.254 63.029 63.200 0.139 0.000 0.861 826 S HN 0.473 nan 8.310 nan 0.000 0.456 827 E N 0.148 120.346 120.200 -0.002 0.000 2.478 827 E HA -0.010 4.541 4.350 0.334 0.000 0.198 827 E C 1.386 177.985 176.600 -0.001 0.000 1.046 827 E CA 0.514 56.916 56.400 0.002 0.000 0.870 827 E CB 0.191 29.877 29.700 -0.024 0.000 0.818 827 E HN 0.172 nan 8.360 nan 0.000 0.527 828 K N -0.180 120.217 120.400 -0.005 0.000 2.380 828 K HA 0.237 4.757 4.320 0.334 0.000 0.198 828 K C 0.315 176.923 176.600 0.013 0.000 1.070 828 K CA -0.007 56.278 56.287 -0.003 0.000 1.040 828 K CB 0.612 33.100 32.500 -0.020 0.000 0.903 828 K HN -0.006 nan 8.250 nan 0.000 0.549 829 A N 1.007 123.843 122.820 0.027 0.000 2.598 829 A HA 0.312 4.833 4.320 0.334 0.000 0.239 829 A C 1.254 178.858 177.584 0.032 0.000 1.032 829 A CA 1.419 53.479 52.037 0.038 0.000 0.760 829 A CB -0.609 18.423 19.000 0.054 0.000 0.946 829 A HN 0.578 nan 8.150 nan 0.000 0.512 830 G N 1.616 110.436 108.800 0.033 0.000 2.159 830 G HA2 -0.074 4.087 3.960 0.334 0.000 0.256 830 G HA3 -0.074 4.087 3.960 0.334 0.000 0.256 830 G C 0.452 175.366 174.900 0.024 0.000 0.977 830 G CA 1.124 46.241 45.100 0.028 0.000 0.652 830 G HN 2.488 nan 8.290 nan 0.000 0.531 831 T N -2.707 111.860 114.554 0.023 0.000 2.864 831 T HA 0.752 5.303 4.350 0.334 0.000 0.289 831 T C -0.316 174.397 174.700 0.022 0.000 1.082 831 T CA 0.127 62.239 62.100 0.019 0.000 1.009 831 T CB 2.117 70.992 68.868 0.012 0.000 1.234 831 T HN 0.536 nan 8.240 nan 0.000 0.526 832 S N 0.606 116.319 115.700 0.021 0.000 2.429 832 S HA 0.750 5.421 4.470 0.334 0.000 0.302 832 S C -0.238 174.368 174.600 0.010 0.000 1.115 832 S CA -0.717 57.499 58.200 0.026 0.000 1.095 832 S CB 0.661 63.884 63.200 0.038 0.000 0.987 832 S HN 1.072 nan 8.310 nan 0.000 0.474 833 A N 2.950 125.769 122.820 -0.001 0.000 2.374 833 A HA 0.693 5.214 4.320 0.334 0.000 0.317 833 A C -0.121 177.440 177.584 -0.039 0.000 1.094 833 A CA -0.939 51.086 52.037 -0.021 0.000 0.765 833 A CB 0.848 19.831 19.000 -0.029 0.000 1.268 833 A HN 0.812 nan 8.150 nan 0.000 0.438 834 R N 2.128 122.599 120.500 -0.048 0.000 2.351 834 R HA 0.396 4.936 4.340 0.334 0.000 0.318 834 R C -1.196 175.055 176.300 -0.082 0.000 1.055 834 R CA 0.195 56.253 56.100 -0.070 0.000 0.968 834 R CB -0.192 30.073 30.300 -0.059 0.000 0.974 834 R HN 0.609 nan 8.270 nan 0.000 0.439 835 I N 4.559 125.064 120.570 -0.108 0.000 2.378 835 I HA 0.311 4.681 4.170 0.334 0.000 0.291 835 I C -0.105 175.941 176.117 -0.118 0.000 0.992 835 I CA -1.117 60.118 61.300 -0.108 0.000 1.154 835 I CB 1.743 39.677 38.000 -0.109 0.000 1.315 835 I HN 0.490 nan 8.210 nan 0.000 0.448 836 R N 6.871 127.318 120.500 -0.090 0.000 2.294 836 R HA 0.700 5.240 4.340 0.334 0.000 0.319 836 R C -1.590 174.673 176.300 -0.061 0.000 0.984 836 R CA -0.152 55.902 56.100 -0.076 0.000 0.861 836 R CB 0.696 30.965 30.300 -0.051 0.000 1.104 836 R HN 0.584 nan 8.270 nan 0.000 0.451 837 L N 2.026 123.212 121.223 -0.061 0.000 2.323 837 L HA 0.618 5.158 4.340 0.334 0.000 0.265 837 L C -0.505 176.412 176.870 0.078 0.000 1.012 837 L CA -0.980 53.856 54.840 -0.006 0.000 0.820 837 L CB 2.595 44.593 42.059 -0.102 0.000 1.334 837 L HN 0.603 nan 8.230 nan 0.000 0.427 838 S N -0.059 115.740 115.700 0.165 0.000 2.647 838 S HA 0.646 5.316 4.470 0.334 0.000 0.300 838 S C -0.081 174.587 174.600 0.113 0.000 1.129 838 S CA -0.624 57.648 58.200 0.121 0.000 1.029 838 S CB 1.901 65.084 63.200 -0.028 0.000 1.007 838 S HN 0.796 nan 8.310 nan 0.000 0.484 839 G N 1.122 109.921 108.800 -0.002 0.000 2.488 839 G HA2 0.472 4.632 3.960 0.334 0.000 0.318 839 G HA3 0.472 4.632 3.960 0.334 0.000 0.318 839 G C -0.608 174.127 174.900 -0.275 0.000 1.188 839 G CA -0.770 44.026 45.100 -0.507 0.000 0.944 839 G HN 0.592 nan 8.290 nan 0.000 0.495 840 K N 0.647 120.866 120.400 -0.302 0.000 2.166 840 K HA 0.466 4.987 4.320 0.334 0.000 0.273 840 K C 0.741 177.268 176.600 -0.120 0.000 1.095 840 K CA 0.735 56.920 56.287 -0.169 0.000 0.985 840 K CB -0.560 31.851 32.500 -0.149 0.000 1.172 840 K HN 0.846 nan 8.250 nan 0.000 0.401 841 G N 1.615 110.362 108.800 -0.088 0.000 2.451 841 G HA2 -0.028 4.133 3.960 0.334 0.000 0.083 841 G HA3 -0.028 4.133 3.960 0.334 0.000 0.083 841 G C 0.245 175.120 174.900 -0.041 0.000 1.107 841 G CA -0.211 44.855 45.100 -0.056 0.000 1.117 841 G HN 0.422 nan 8.290 nan 0.000 0.454 842 G N -0.121 108.663 108.800 -0.026 0.000 3.377 842 G HA2 0.395 4.556 3.960 0.334 0.000 0.257 842 G HA3 0.395 4.556 3.960 0.334 0.000 0.257 842 G C -0.152 174.750 174.900 0.002 0.000 1.038 842 G CA 0.928 46.019 45.100 -0.014 0.000 0.809 842 G HN 0.545 nan 8.290 nan 0.000 0.526 843 D N 1.727 122.134 120.400 0.011 0.000 2.382 843 D HA 0.177 5.017 4.640 0.334 0.000 0.259 843 D C 0.002 176.357 176.300 0.092 0.000 1.224 843 D CA 0.542 54.579 54.000 0.062 0.000 0.894 843 D CB 0.416 41.278 40.800 0.105 0.000 1.127 843 D HN 0.107 nan 8.370 nan 0.000 0.487 844 K N 4.261 124.697 120.400 0.061 0.000 2.397 844 K HA 0.481 5.001 4.320 0.334 0.000 0.253 844 K C -0.235 176.369 176.600 0.006 0.000 0.932 844 K CA -0.979 55.332 56.287 0.039 0.000 0.795 844 K CB 2.198 34.703 32.500 0.008 0.000 1.159 844 K HN 0.253 nan 8.250 nan 0.000 0.424 845 R N 1.690 122.172 120.500 -0.030 0.000 2.670 845 R HA 0.303 4.843 4.340 0.334 0.000 0.289 845 R C -1.078 175.146 176.300 -0.126 0.000 0.965 845 R CA -0.866 55.172 56.100 -0.104 0.000 0.899 845 R CB 1.553 31.734 30.300 -0.197 0.000 1.173 845 R HN 0.588 nan 8.270 nan 0.000 0.456 846 D N 3.643 123.956 120.400 -0.146 0.000 2.389 846 D HA 0.335 5.176 4.640 0.334 0.000 0.256 846 D C -0.962 175.199 176.300 -0.230 0.000 1.239 846 D CA -0.353 53.557 54.000 -0.149 0.000 0.925 846 D CB 0.427 41.170 40.800 -0.096 0.000 1.145 846 D HN 0.375 nan 8.370 nan 0.000 0.542 847 L N 1.658 122.693 121.223 -0.315 0.000 2.342 847 L HA 0.564 5.104 4.340 0.334 0.000 0.271 847 L C 0.220 176.885 176.870 -0.341 0.000 1.008 847 L CA -1.044 53.478 54.840 -0.530 0.000 0.818 847 L CB 2.040 43.583 42.059 -0.860 0.000 1.296 847 L HN 0.091 nan 8.230 nan 0.000 0.427 848 M N 4.081 123.519 119.600 -0.271 0.000 2.094 848 M HA 0.388 5.068 4.480 0.334 0.000 0.348 848 M C -0.601 175.721 176.300 0.037 0.000 1.267 848 M CA -0.285 54.983 55.300 -0.054 0.000 1.125 848 M CB 0.439 33.063 32.600 0.040 0.000 1.527 848 M HN 0.318 nan 8.290 nan 0.000 0.447 849 I N 2.664 123.240 120.570 0.010 0.000 2.412 849 I HA 0.264 4.635 4.170 0.334 0.000 0.296 849 I C 0.068 176.227 176.117 0.071 0.000 0.987 849 I CA -0.749 60.595 61.300 0.074 0.000 1.180 849 I CB 1.481 39.495 38.000 0.023 0.000 1.340 849 I HN 0.408 nan 8.210 nan 0.000 0.455 850 D N 5.921 126.378 120.400 0.095 0.000 2.339 850 D HA 0.207 5.047 4.640 0.334 0.000 0.256 850 D C 0.169 176.506 176.300 0.063 0.000 1.214 850 D CA -0.021 54.021 54.000 0.071 0.000 0.877 850 D CB 0.999 41.843 40.800 0.072 0.000 1.111 850 D HN 0.118 nan 8.370 nan 0.000 0.478 851 I N 3.965 124.564 120.570 0.048 0.000 2.301 851 I HA 0.143 4.513 4.170 0.334 0.000 0.292 851 I C 0.707 176.854 176.117 0.050 0.000 1.046 851 I CA -0.402 60.927 61.300 0.048 0.000 1.282 851 I CB 0.132 38.151 38.000 0.031 0.000 1.409 851 I HN 0.135 nan 8.210 nan 0.000 0.484 852 L N 5.407 126.665 121.223 0.058 0.000 2.466 852 L HA 0.249 4.789 4.340 0.334 0.000 0.257 852 L C 1.126 178.027 176.870 0.052 0.000 1.189 852 L CA -0.423 54.448 54.840 0.052 0.000 0.813 852 L CB 0.657 42.749 42.059 0.055 0.000 1.118 852 L HN 0.452 nan 8.230 nan 0.000 0.471 853 D N -0.378 120.049 120.400 0.044 0.000 2.333 853 D HA 0.047 4.887 4.640 0.334 0.000 0.208 853 D C -0.180 176.145 176.300 0.041 0.000 0.984 853 D CA 0.839 54.866 54.000 0.046 0.000 0.873 853 D CB 0.347 41.170 40.800 0.038 0.000 0.935 853 D HN 0.512 nan 8.370 nan 0.000 0.521 854 D N -0.584 119.835 120.400 0.032 0.000 2.663 854 D HA 0.131 4.971 4.640 0.334 0.000 0.233 854 D C -1.521 174.785 176.300 0.009 0.000 1.240 854 D CA -0.585 53.423 54.000 0.014 0.000 0.774 854 D CB 1.439 42.243 40.800 0.006 0.000 1.443 854 D HN -0.174 nan 8.370 nan 0.000 0.441 855 D N 1.265 121.650 120.400 -0.024 0.000 2.712 855 D HA 0.100 4.941 4.640 0.334 0.000 0.300 855 D C 1.180 177.422 176.300 -0.097 0.000 1.521 855 D CA -0.324 53.653 54.000 -0.038 0.000 0.790 855 D CB 0.108 40.878 40.800 -0.050 0.000 1.155 855 D HN 0.256 nan 8.370 nan 0.000 0.456 856 R N 0.006 120.456 120.500 -0.083 0.000 2.081 856 R HA -0.031 4.509 4.340 0.334 0.000 0.235 856 R C 1.460 177.719 176.300 -0.067 0.000 1.131 856 R CA 1.281 57.301 56.100 -0.133 0.000 0.960 856 R CB -0.811 29.417 30.300 -0.120 0.000 0.856 856 R HN 0.189 nan 8.270 nan 0.000 0.436 857 F N 0.439 120.320 119.950 -0.115 0.000 2.186 857 F HA -0.002 4.725 4.527 0.335 0.000 0.299 857 F C 1.698 177.485 175.800 -0.020 0.000 1.090 857 F CA 1.257 59.231 58.000 -0.042 0.000 1.307 857 F CB -0.089 38.888 39.000 -0.039 0.000 1.019 857 F HN 0.014 nan 8.300 nan 0.000 0.489 858 I N -0.053 120.488 120.570 -0.048 0.000 2.179 858 I HA -0.304 4.067 4.170 0.334 0.000 0.242 858 I C 2.497 178.469 176.117 -0.241 0.000 1.088 858 I CA 1.361 62.577 61.300 -0.141 0.000 1.357 858 I CB -0.505 37.469 38.000 -0.043 0.000 1.051 858 I HN 0.012 nan 8.210 nan 0.000 0.409 859 R N -0.290 120.012 120.500 -0.329 0.000 2.091 859 R HA -0.237 4.303 4.340 0.334 0.000 0.238 859 R C 2.398 178.498 176.300 -0.335 0.000 1.136 859 R CA 1.881 57.689 56.100 -0.487 0.000 0.959 859 R CB -0.621 29.308 30.300 -0.618 0.000 0.856 859 R HN 0.361 nan 8.270 nan 0.000 0.437 860 Y N 1.561 121.582 120.300 -0.465 0.000 2.114 860 Y HA -0.201 4.549 4.550 0.334 0.000 0.284 860 Y C 2.172 177.899 175.900 -0.288 0.000 1.143 860 Y CA 1.477 59.277 58.100 -0.500 0.000 1.135 860 Y CB -0.031 38.112 38.460 -0.529 0.000 0.980 860 Y HN -0.166 nan 8.280 nan 0.000 0.499 861 R N -0.170 119.933 120.500 -0.662 0.000 2.115 861 R HA -0.128 4.413 4.340 0.334 0.000 0.230 861 R C 2.656 178.731 176.300 -0.375 0.000 1.111 861 R CA 1.143 56.869 56.100 -0.623 0.000 0.976 861 R CB -1.125 28.828 30.300 -0.579 0.000 0.870 861 R HN 0.420 nan 8.270 nan 0.000 0.445 862 S N 0.190 115.740 115.700 -0.251 0.000 2.356 862 S HA -0.185 4.485 4.470 0.334 0.000 0.223 862 S C 1.715 176.267 174.600 -0.080 0.000 1.032 862 S CA 1.186 59.319 58.200 -0.111 0.000 1.005 862 S CB -0.292 62.977 63.200 0.116 0.000 0.867 862 S HN 0.548 nan 8.310 nan 0.000 0.449 863 W N 1.764 122.898 121.300 -0.277 0.000 2.335 863 W HA -0.129 4.731 4.660 0.334 0.000 0.311 863 W C 2.029 178.390 176.519 -0.263 0.000 1.213 863 W CA 1.746 58.942 57.345 -0.248 0.000 1.274 863 W CB -0.723 28.558 29.460 -0.298 0.000 1.148 863 W HN 0.120 nan 8.180 nan 0.000 0.498 864 V N 1.135 120.931 119.914 -0.196 0.000 2.295 864 V HA -0.300 4.020 4.120 0.334 0.000 0.246 864 V C 2.400 178.348 176.094 -0.244 0.000 1.049 864 V CA 2.330 64.483 62.300 -0.245 0.000 1.024 864 V CB -0.902 30.778 31.823 -0.239 0.000 0.648 864 V HN 0.126 nan 8.190 nan 0.000 0.447 865 E N 0.121 120.180 120.200 -0.235 0.000 2.204 865 E HA -0.135 4.415 4.350 0.334 0.000 0.194 865 E C 2.280 178.734 176.600 -0.244 0.000 0.989 865 E CA 1.343 57.621 56.400 -0.204 0.000 0.824 865 E CB -0.422 29.163 29.700 -0.191 0.000 0.756 865 E HN 0.597 nan 8.360 nan 0.000 0.477 866 A N 1.397 124.045 122.820 -0.288 0.000 1.872 866 A HA -0.165 4.356 4.320 0.334 0.000 0.214 866 A C 1.991 179.344 177.584 -0.385 0.000 1.187 866 A CA 1.465 53.331 52.037 -0.286 0.000 0.614 866 A CB -0.712 18.124 19.000 -0.273 0.000 0.826 866 A HN 0.264 nan 8.150 nan 0.000 0.442 867 N N -0.983 117.349 118.700 -0.614 0.000 2.120 867 N HA -0.178 4.762 4.740 0.334 0.000 0.188 867 N C 2.092 177.135 175.510 -0.779 0.000 1.024 867 N CA 1.115 53.673 53.050 -0.820 0.000 0.852 867 N CB -0.166 37.533 38.487 -1.314 0.000 1.003 867 N HN 0.487 nan 8.380 nan 0.000 0.424 868 R N 1.572 121.703 120.500 -0.615 0.000 2.083 868 R HA -0.080 4.460 4.340 0.334 0.000 0.237 868 R C 2.084 177.994 176.300 -0.650 0.000 1.137 868 R CA 1.346 57.143 56.100 -0.505 0.000 0.951 868 R CB 0.026 30.181 30.300 -0.241 0.000 0.851 868 R HN 0.224 nan 8.270 nan 0.000 0.434 869 R N -0.959 119.313 120.500 -0.380 0.000 2.075 869 R HA -0.180 4.361 4.340 0.334 0.000 0.232 869 R C 2.269 178.463 176.300 -0.177 0.000 1.126 869 R CA 1.650 57.614 56.100 -0.227 0.000 0.963 869 R CB -0.560 29.675 30.300 -0.108 0.000 0.858 869 R HN 0.312 nan 8.270 nan 0.000 0.435 870 Y N 1.399 121.513 120.300 -0.310 0.000 2.128 870 Y HA -0.251 4.500 4.550 0.334 0.000 0.284 870 Y C 2.128 177.883 175.900 -0.242 0.000 1.154 870 Y CA 1.388 59.335 58.100 -0.255 0.000 1.149 870 Y CB -0.319 37.962 38.460 -0.298 0.000 0.976 870 Y HN -0.238 nan 8.280 nan 0.000 0.505 871 V N 0.020 119.745 119.914 -0.314 0.000 2.343 871 V HA -0.324 3.996 4.120 0.334 0.000 0.247 871 V C 2.354 178.325 176.094 -0.205 0.000 1.051 871 V CA 2.284 64.398 62.300 -0.310 0.000 1.036 871 V CB -0.821 30.835 31.823 -0.278 0.000 0.654 871 V HN 0.469 nan 8.190 nan 0.000 0.451 872 H N 0.478 119.417 119.070 -0.219 0.000 2.353 872 H HA -0.121 4.635 4.556 0.334 0.000 0.300 872 H C 2.358 177.601 175.328 -0.142 0.000 1.090 872 H CA 1.762 57.708 56.048 -0.170 0.000 1.327 872 H CB -0.259 29.440 29.762 -0.106 0.000 1.383 872 H HN 0.578 nan 8.280 nan 0.000 0.508 873 E N 0.340 120.506 120.200 -0.056 0.000 2.028 873 E HA -0.113 4.438 4.350 0.334 0.000 0.191 873 E C 2.329 178.824 176.600 -0.176 0.000 0.988 873 E CA 0.543 56.879 56.400 -0.106 0.000 0.799 873 E CB -0.000 29.624 29.700 -0.126 0.000 0.755 873 E HN 0.232 nan 8.360 nan 0.000 0.447 874 R N 0.896 121.196 120.500 -0.333 0.000 2.237 874 R HA -0.074 4.466 4.340 0.334 0.000 0.219 874 R C 1.904 178.087 176.300 -0.194 0.000 1.080 874 R CA 1.443 57.345 56.100 -0.331 0.000 0.995 874 R CB 0.062 30.015 30.300 -0.578 0.000 0.875 874 R HN 0.175 nan 8.270 nan 0.000 0.462 875 S N -0.475 115.138 115.700 -0.145 0.000 2.535 875 S HA 0.128 4.799 4.470 0.334 0.000 0.214 875 S C 0.107 174.685 174.600 -0.036 0.000 0.980 875 S CA -0.326 57.828 58.200 -0.076 0.000 0.907 875 S CB 0.478 63.648 63.200 -0.049 0.000 0.790 875 S HN 0.139 nan 8.310 nan 0.000 0.510 876 K N 0.874 121.250 120.400 -0.040 0.000 3.162 876 K HA -0.144 4.376 4.320 0.334 0.000 0.268 876 K C 0.841 177.451 176.600 0.016 0.000 1.062 876 K CA 0.644 56.921 56.287 -0.017 0.000 0.769 876 K CB -2.579 29.908 32.500 -0.021 0.000 1.274 876 K HN 1.246 nan 8.250 nan 0.000 0.478 877 G N -0.529 108.297 108.800 0.042 0.000 2.168 877 G HA2 -0.409 3.751 3.960 0.334 0.000 0.257 877 G HA3 -0.409 3.751 3.960 0.334 0.000 0.257 877 G C 0.722 175.742 174.900 0.200 0.000 0.997 877 G CA 1.821 46.983 45.100 0.103 0.000 0.708 877 G HN 0.816 nan 8.290 nan 0.000 0.520 878 T N -2.503 112.138 114.554 0.145 0.000 3.014 878 T HA 0.605 5.156 4.350 0.334 0.000 0.250 878 T C 0.851 175.670 174.700 0.198 0.000 1.060 878 T CA 0.571 62.771 62.100 0.166 0.000 1.040 878 T CB 0.457 69.366 68.868 0.070 0.000 0.971 878 T HN 0.501 nan 8.240 nan 0.000 0.497 879 I N 1.303 121.921 120.570 0.079 0.000 2.545 879 I HA 0.658 5.028 4.170 0.334 0.000 0.292 879 I C 0.535 176.464 176.117 -0.312 0.000 1.040 879 I CA -1.429 59.857 61.300 -0.022 0.000 1.068 879 I CB 2.212 40.208 38.000 -0.008 0.000 1.251 879 I HN 0.198 nan 8.210 nan 0.000 0.424 880 G N 3.464 112.075 108.800 -0.315 0.000 2.521 880 G HA2 0.562 4.722 3.960 0.334 0.000 0.323 880 G HA3 0.562 4.722 3.960 0.334 0.000 0.323 880 G C -2.030 172.859 174.900 -0.017 0.000 1.211 880 G CA -0.288 44.584 45.100 -0.380 0.000 0.979 880 G HN 0.522 nan 8.290 nan 0.000 0.490 881 Y N -0.607 119.609 120.300 -0.140 0.000 2.470 881 Y HA 0.683 5.433 4.550 0.334 0.000 0.341 881 Y C -1.090 174.789 175.900 -0.035 0.000 1.021 881 Y CA -1.119 56.927 58.100 -0.091 0.000 1.025 881 Y CB 1.715 40.072 38.460 -0.172 0.000 1.266 881 Y HN 0.445 nan 8.280 nan 0.000 0.448 882 I N 5.998 126.160 120.570 -0.680 0.000 2.619 882 I HA 0.288 4.658 4.170 0.334 0.000 0.292 882 I C -1.365 174.383 176.117 -0.616 0.000 1.100 882 I CA -0.820 60.191 61.300 -0.482 0.000 1.043 882 I CB 2.210 40.096 38.000 -0.190 0.000 1.239 882 I HN 0.651 nan 8.210 nan 0.000 0.420 883 H N 6.872 125.724 119.070 -0.365 0.000 2.495 883 H HA 0.583 5.339 4.556 0.334 0.000 0.348 883 H C -1.532 173.880 175.328 0.140 0.000 1.113 883 H CA -0.632 55.382 56.048 -0.056 0.000 1.195 883 H CB 2.087 32.017 29.762 0.281 0.000 1.521 883 H HN 0.484 nan 8.280 nan 0.000 0.509 884 I N 8.201 128.408 120.570 -0.605 0.000 2.405 884 I HA 0.189 4.559 4.170 0.334 0.000 0.280 884 I C -1.654 174.230 176.117 -0.387 0.000 1.027 884 I CA -2.014 59.095 61.300 -0.317 0.000 1.161 884 I CB 2.136 39.938 38.000 -0.331 0.000 1.300 884 I HN 0.461 nan 8.210 nan 0.000 0.463 885 P HA -0.082 nan 4.420 nan 0.000 0.221 885 P C -0.352 176.998 177.300 0.084 0.000 1.150 885 P CA 1.365 64.594 63.100 0.215 0.000 0.800 885 P CB 0.112 31.877 31.700 0.108 0.000 0.787 886 D N -2.890 117.522 120.400 0.020 0.000 2.738 886 D HA 0.144 4.984 4.640 0.334 0.000 0.308 886 D C -0.169 176.111 176.300 -0.033 0.000 1.311 886 D CA -0.597 53.421 54.000 0.030 0.000 0.799 886 D CB -0.275 40.597 40.800 0.119 0.000 1.332 886 D HN -0.356 nan 8.370 nan 0.000 0.441 887 M N 0.770 120.355 119.600 -0.024 0.000 2.756 887 M HA 0.460 5.140 4.480 0.334 0.000 0.320 887 M C 0.528 176.713 176.300 -0.191 0.000 1.245 887 M CA -0.232 54.989 55.300 -0.132 0.000 0.972 887 M CB 0.021 32.557 32.600 -0.107 0.000 1.327 887 M HN 0.591 nan 8.290 nan 0.000 0.505 888 G N -0.032 108.711 108.800 -0.094 0.000 2.890 888 G HA2 0.466 4.626 3.960 0.334 0.000 0.189 888 G HA3 0.466 4.626 3.960 0.334 0.000 0.189 888 G C 0.873 175.543 174.900 -0.383 0.000 1.342 888 G CA -0.326 44.595 45.100 -0.298 0.000 1.026 888 G HN 0.114 nan 8.290 nan 0.000 0.579 889 M N -0.158 119.118 119.600 -0.539 0.000 2.175 889 M HA 0.047 4.727 4.480 0.334 0.000 0.264 889 M C 2.407 178.818 176.300 0.186 0.000 1.063 889 M CA 1.110 56.316 55.300 -0.156 0.000 1.119 889 M CB -1.085 31.448 32.600 -0.112 0.000 1.377 889 M HN 0.592 nan 8.290 nan 0.000 0.415 890 M N 0.032 119.842 119.600 0.350 0.000 2.117 890 M HA -0.116 4.565 4.480 0.334 0.000 0.262 890 M C 1.988 178.409 176.300 0.202 0.000 1.065 890 M CA 2.012 57.501 55.300 0.315 0.000 1.114 890 M CB -0.534 32.149 32.600 0.138 0.000 1.361 890 M HN 0.301 nan 8.290 nan 0.000 0.408 891 G N 0.700 109.566 108.800 0.109 0.000 2.418 891 G HA2 -0.226 3.934 3.960 0.334 0.000 0.217 891 G HA3 -0.226 3.934 3.960 0.334 0.000 0.217 891 G C 1.282 176.208 174.900 0.044 0.000 1.158 891 G CA 0.651 45.772 45.100 0.035 0.000 0.771 891 G HN 0.375 nan 8.290 nan 0.000 0.545 892 L N 1.235 122.469 121.223 0.018 0.000 2.017 892 L HA -0.024 4.517 4.340 0.334 0.000 0.208 892 L C 2.532 179.551 176.870 0.248 0.000 1.073 892 L CA 1.447 56.335 54.840 0.081 0.000 0.745 892 L CB -0.802 41.285 42.059 0.047 0.000 0.894 892 L HN 0.134 nan 8.230 nan 0.000 0.432 893 N N -0.392 118.449 118.700 0.235 0.000 2.058 893 N HA -0.168 4.772 4.740 0.334 0.000 0.191 893 N C 1.669 177.336 175.510 0.261 0.000 1.037 893 N CA 1.339 54.542 53.050 0.255 0.000 0.848 893 N CB -0.235 38.395 38.487 0.238 0.000 1.021 893 N HN 0.347 nan 8.380 nan 0.000 0.422 894 E N 0.229 120.587 120.200 0.263 0.000 2.152 894 E HA -0.087 4.463 4.350 0.334 0.000 0.192 894 E C 1.826 178.527 176.600 0.169 0.000 0.983 894 E CA 0.209 56.767 56.400 0.263 0.000 0.818 894 E CB -0.533 29.391 29.700 0.373 0.000 0.758 894 E HN 0.413 nan 8.360 nan 0.000 0.467 895 F N 0.621 120.566 119.950 -0.009 0.000 2.075 895 F HA -0.239 4.488 4.527 0.334 0.000 0.297 895 F C 2.128 177.884 175.800 -0.073 0.000 1.113 895 F CA 1.496 59.409 58.000 -0.145 0.000 1.218 895 F CB -0.429 38.336 39.000 -0.392 0.000 0.984 895 F HN -0.054 nan 8.300 nan 0.000 0.472 896 Y N 0.159 120.476 120.300 0.028 0.000 2.293 896 Y HA -0.179 4.571 4.550 0.334 0.000 0.291 896 Y C 2.700 178.609 175.900 0.015 0.000 1.137 896 Y CA 1.318 59.418 58.100 -0.001 0.000 1.202 896 Y CB -0.478 38.048 38.460 0.111 0.000 0.990 896 Y HN 0.038 nan 8.280 nan 0.000 0.537 897 R N 0.145 120.755 120.500 0.184 0.000 2.117 897 R HA -0.210 4.331 4.340 0.334 0.000 0.243 897 R C 1.307 177.653 176.300 0.078 0.000 1.143 897 R CA 1.740 57.921 56.100 0.134 0.000 0.968 897 R CB -0.245 30.142 30.300 0.145 0.000 0.863 897 R HN 0.292 nan 8.270 nan 0.000 0.444 898 L N -1.200 120.037 121.223 0.024 0.000 2.470 898 L HA 0.113 4.653 4.340 0.334 0.000 0.219 898 L C 1.630 178.475 176.870 -0.041 0.000 1.071 898 L CA 0.481 55.318 54.840 -0.004 0.000 0.850 898 L CB -0.376 41.669 42.059 -0.024 0.000 1.040 898 L HN 0.088 nan 8.230 nan 0.000 0.475 899 F N 1.670 121.430 119.950 -0.316 0.000 2.120 899 F HA -0.260 4.468 4.527 0.335 0.000 0.300 899 F C 2.281 178.026 175.800 -0.092 0.000 1.095 899 F CA 2.097 59.884 58.000 -0.355 0.000 1.249 899 F CB -0.191 38.369 39.000 -0.732 0.000 0.995 899 F HN 0.160 nan 8.300 nan 0.000 0.480 900 I N -1.696 118.896 120.570 0.037 0.000 2.700 900 I HA -0.222 4.148 4.170 0.334 0.000 0.261 900 I C 1.233 177.306 176.117 -0.074 0.000 1.219 900 I CA 1.602 62.894 61.300 -0.014 0.000 1.463 900 I CB -0.632 37.419 38.000 0.085 0.000 1.092 900 I HN 0.185 nan 8.210 nan 0.000 0.452 901 N N 0.584 119.259 118.700 -0.043 0.000 2.332 901 N HA 0.036 4.976 4.740 0.334 0.000 0.190 901 N C 1.172 176.736 175.510 0.090 0.000 1.117 901 N CA 0.360 53.420 53.050 0.016 0.000 0.883 901 N CB 0.388 38.916 38.487 0.068 0.000 1.089 901 N HN 0.455 nan 8.380 nan 0.000 0.480 902 E N 0.375 120.603 120.200 0.046 0.000 2.489 902 E HA 0.096 4.646 4.350 0.334 0.000 0.204 902 E C 1.127 177.795 176.600 0.114 0.000 1.006 902 E CA 0.167 56.670 56.400 0.172 0.000 0.936 902 E CB 0.317 30.061 29.700 0.073 0.000 1.002 902 E HN 0.224 nan 8.360 nan 0.000 0.488 903 S N -0.306 115.294 115.700 -0.167 0.000 2.603 903 S HA 0.107 4.777 4.470 0.334 0.000 0.220 903 S C 1.402 175.960 174.600 -0.070 0.000 0.967 903 S CA -0.053 58.014 58.200 -0.221 0.000 0.920 903 S CB 0.111 62.837 63.200 -0.790 0.000 0.773 903 S HN -0.123 nan 8.310 nan 0.000 0.529 904 S N 0.888 116.574 115.700 -0.023 0.000 2.588 904 S HA 0.435 5.105 4.470 0.334 0.000 0.245 904 S C -0.761 173.789 174.600 -0.084 0.000 1.021 904 S CA -0.679 57.491 58.200 -0.050 0.000 1.006 904 S CB -0.106 63.033 63.200 -0.102 0.000 0.830 904 S HN 0.514 nan 8.310 nan 0.000 0.468 905 Y N 1.732 122.015 120.300 -0.029 0.000 2.408 905 Y HA 0.256 5.006 4.550 0.334 0.000 0.324 905 Y C 1.894 177.797 175.900 0.005 0.000 1.302 905 Y CA -0.506 57.582 58.100 -0.019 0.000 1.384 905 Y CB 0.474 38.929 38.460 -0.007 0.000 1.367 905 Y HN 0.054 nan 8.280 nan 0.000 0.525 906 Q N 0.365 120.266 119.800 0.168 0.000 2.119 906 Q HA 0.028 4.568 4.340 0.334 0.000 0.201 906 Q C 0.504 176.573 176.000 0.114 0.000 0.972 906 Q CA 1.145 57.011 55.803 0.106 0.000 0.847 906 Q CB 0.001 28.785 28.738 0.076 0.000 0.903 906 Q HN 0.820 nan 8.270 nan 0.000 0.433 907 G N -0.253 108.630 108.800 0.138 0.000 2.630 907 G HA2 0.592 4.752 3.960 0.334 0.000 0.296 907 G HA3 0.592 4.752 3.960 0.334 0.000 0.296 907 G C -1.930 173.045 174.900 0.125 0.000 1.285 907 G CA -0.518 44.650 45.100 0.113 0.000 0.958 907 G HN 0.048 nan 8.290 nan 0.000 0.479 908 L N -0.156 121.140 121.223 0.122 0.000 2.493 908 L HA 0.657 5.198 4.340 0.334 0.000 0.265 908 L C -1.352 175.599 176.870 0.135 0.000 0.954 908 L CA -0.572 54.343 54.840 0.125 0.000 0.844 908 L CB 1.876 44.029 42.059 0.156 0.000 1.302 908 L HN 0.469 nan 8.230 nan 0.000 0.405 909 I N 5.459 126.101 120.570 0.120 0.000 2.339 909 I HA 0.437 4.808 4.170 0.334 0.000 0.290 909 I C -0.718 175.429 176.117 0.051 0.000 0.994 909 I CA -0.901 60.477 61.300 0.129 0.000 1.191 909 I CB 1.829 39.964 38.000 0.225 0.000 1.343 909 I HN 0.296 nan 8.210 nan 0.000 0.458 910 V N 5.294 125.234 119.914 0.043 0.000 2.311 910 V HA 0.195 4.515 4.120 0.334 0.000 0.275 910 V C -0.286 175.777 176.094 -0.052 0.000 1.022 910 V CA -0.463 61.835 62.300 -0.003 0.000 0.830 910 V CB 1.329 33.226 31.823 0.124 0.000 1.012 910 V HN 0.596 nan 8.190 nan 0.000 0.452 911 D N 4.105 124.452 120.400 -0.089 0.000 2.359 911 D HA 0.263 5.103 4.640 0.334 0.000 0.230 911 D C 0.578 176.856 176.300 -0.036 0.000 1.118 911 D CA -0.214 53.830 54.000 0.072 0.000 0.844 911 D CB 1.913 42.911 40.800 0.331 0.000 1.059 911 D HN 0.416 nan 8.370 nan 0.000 0.493 912 V N 1.910 121.794 119.914 -0.049 0.000 3.214 912 V HA 0.390 4.711 4.120 0.334 0.000 0.330 912 V C 0.730 176.812 176.094 -0.021 0.000 1.403 912 V CA -0.607 61.600 62.300 -0.156 0.000 1.143 912 V CB -0.659 31.035 31.823 -0.216 0.000 1.098 912 V HN 0.251 nan 8.190 nan 0.000 0.463 913 R N 0.456 121.025 120.500 0.115 0.000 2.570 913 R HA 0.347 4.888 4.340 0.334 0.000 0.277 913 R C 0.193 176.498 176.300 0.007 0.000 1.039 913 R CA 0.607 56.687 56.100 -0.033 0.000 1.065 913 R CB -0.127 30.162 30.300 -0.019 0.000 0.964 913 R HN 0.488 nan 8.270 nan 0.000 0.428 914 F N -1.400 118.508 119.950 -0.069 0.000 2.794 914 F HA -0.332 4.395 4.527 0.334 0.000 0.335 914 F C 0.716 176.453 175.800 -0.106 0.000 0.653 914 F CA 0.282 58.159 58.000 -0.206 0.000 1.266 914 F CB -1.320 37.143 39.000 -0.894 0.000 1.666 914 F HN 0.633 nan 8.300 nan 0.000 0.314 915 N N 1.961 120.699 118.700 0.063 0.000 2.417 915 N HA 0.072 5.012 4.740 0.334 0.000 0.272 915 N C 1.234 176.770 175.510 0.045 0.000 1.304 915 N CA 1.085 54.154 53.050 0.031 0.000 0.906 915 N CB 1.067 39.531 38.487 -0.038 0.000 1.135 915 N HN 0.427 nan 8.380 nan 0.000 0.483 916 G N 2.234 111.066 108.800 0.053 0.000 2.776 916 G HA2 0.253 4.414 3.960 0.334 0.000 0.209 916 G HA3 0.253 4.414 3.960 0.334 0.000 0.209 916 G C 0.828 175.756 174.900 0.047 0.000 1.145 916 G CA 0.484 45.602 45.100 0.031 0.000 0.791 916 G HN 0.998 nan 8.290 nan 0.000 0.530 917 G N -1.668 107.175 108.800 0.071 0.000 2.681 917 G HA2 0.395 4.555 3.960 0.334 0.000 0.220 917 G HA3 0.395 4.555 3.960 0.334 0.000 0.220 917 G C 0.518 175.501 174.900 0.138 0.000 1.353 917 G CA 0.173 45.341 45.100 0.114 0.000 0.872 917 G HN 1.941 nan 8.290 nan 0.000 0.557 918 G N -2.821 106.089 108.800 0.182 0.000 2.113 918 G HA2 0.554 4.714 3.960 0.334 0.000 0.082 918 G HA3 0.554 4.714 3.960 0.334 0.000 0.082 918 G C 0.444 175.532 174.900 0.314 0.000 1.155 918 G CA 1.241 46.508 45.100 0.278 0.000 1.241 918 G HN 2.477 nan 8.290 nan 0.000 0.453 919 F N -0.875 119.068 119.950 -0.012 0.000 3.142 919 F HA 0.401 5.129 4.527 0.335 0.000 0.376 919 F C 1.375 177.132 175.800 -0.072 0.000 1.161 919 F CA 0.962 58.929 58.000 -0.055 0.000 0.988 919 F CB -0.411 38.548 39.000 -0.068 0.000 1.457 919 F HN 0.942 nan 8.300 nan 0.000 0.516 920 V N -0.313 119.192 119.914 -0.680 0.000 3.620 920 V HA 0.130 4.451 4.120 0.334 0.000 0.286 920 V C 2.197 178.125 176.094 -0.277 0.000 1.288 920 V CA 0.898 62.869 62.300 -0.549 0.000 1.178 920 V CB -1.075 30.369 31.823 -0.632 0.000 0.986 920 V HN 0.481 nan 8.190 nan 0.000 0.431 921 S N 2.353 117.963 115.700 -0.149 0.000 2.372 921 S HA -0.413 4.257 4.470 0.334 0.000 0.227 921 S C 1.983 176.606 174.600 0.038 0.000 1.044 921 S CA 2.158 60.366 58.200 0.015 0.000 1.050 921 S CB -0.911 62.370 63.200 0.136 0.000 0.901 921 S HN 0.907 nan 8.310 nan 0.000 0.447 922 Q N 1.320 121.116 119.800 -0.006 0.000 2.170 922 Q HA -0.048 4.492 4.340 0.334 0.000 0.203 922 Q C 2.328 178.301 176.000 -0.045 0.000 0.976 922 Q CA 1.546 57.349 55.803 -0.001 0.000 0.858 922 Q CB -0.745 28.002 28.738 0.014 0.000 0.907 922 Q HN 0.608 nan 8.270 nan 0.000 0.433 923 L N 0.259 121.421 121.223 -0.102 0.000 2.093 923 L HA -0.090 4.450 4.340 0.334 0.000 0.208 923 L C 2.505 179.241 176.870 -0.224 0.000 1.085 923 L CA 0.843 55.609 54.840 -0.124 0.000 0.755 923 L CB -0.371 41.608 42.059 -0.134 0.000 0.904 923 L HN 0.218 nan 8.230 nan 0.000 0.435 924 I N -0.329 120.029 120.570 -0.354 0.000 2.439 924 I HA -0.250 4.121 4.170 0.334 0.000 0.251 924 I C 2.425 178.371 176.117 -0.285 0.000 1.139 924 I CA 0.848 61.756 61.300 -0.652 0.000 1.438 924 I CB -0.063 37.418 38.000 -0.866 0.000 1.085 924 I HN 0.184 nan 8.210 nan 0.000 0.427 925 I N 0.761 121.304 120.570 -0.045 0.000 2.252 925 I HA -0.268 4.103 4.170 0.334 0.000 0.245 925 I C 2.535 178.630 176.117 -0.037 0.000 1.102 925 I CA 1.488 62.788 61.300 0.001 0.000 1.385 925 I CB -1.027 36.960 38.000 -0.022 0.000 1.064 925 I HN 0.380 nan 8.210 nan 0.000 0.414 926 E N 1.354 121.526 120.200 -0.047 0.000 2.070 926 E HA -0.307 4.243 4.350 0.334 0.000 0.197 926 E C 2.097 178.685 176.600 -0.020 0.000 1.004 926 E CA 1.833 58.218 56.400 -0.026 0.000 0.805 926 E CB 0.117 29.806 29.700 -0.018 0.000 0.744 926 E HN 0.150 nan 8.360 nan 0.000 0.451 927 K N 0.395 120.761 120.400 -0.058 0.000 2.026 927 K HA -0.039 4.481 4.320 0.334 0.000 0.208 927 K C 2.074 178.711 176.600 0.063 0.000 1.048 927 K CA 1.150 57.417 56.287 -0.034 0.000 0.929 927 K CB -0.328 32.054 32.500 -0.197 0.000 0.713 927 K HN 0.190 nan 8.250 nan 0.000 0.439 928 L N 0.075 121.339 121.223 0.068 0.000 2.265 928 L HA -0.113 4.427 4.340 0.334 0.000 0.215 928 L C 2.112 179.029 176.870 0.079 0.000 1.117 928 L CA 0.634 55.570 54.840 0.160 0.000 0.782 928 L CB -0.304 41.877 42.059 0.204 0.000 0.914 928 L HN 0.256 nan 8.230 nan 0.000 0.441 929 M N -0.708 118.905 119.600 0.022 0.000 2.492 929 M HA -0.037 4.643 4.480 0.334 0.000 0.262 929 M C 0.411 176.717 176.300 0.010 0.000 1.090 929 M CA 0.512 55.806 55.300 -0.010 0.000 1.110 929 M CB -0.968 31.616 32.600 -0.025 0.000 1.407 929 M HN 0.259 nan 8.290 nan 0.000 0.470 930 N N 2.022 120.744 118.700 0.037 0.000 2.412 930 N HA -0.042 4.899 4.740 0.334 0.000 0.258 930 N C -0.026 175.497 175.510 0.022 0.000 1.236 930 N CA 0.448 53.513 53.050 0.026 0.000 0.882 930 N CB 0.534 39.049 38.487 0.046 0.000 1.066 930 N HN 0.105 nan 8.380 nan 0.000 0.465 931 K N 2.586 122.986 120.400 0.001 0.000 2.240 931 K HA 0.191 4.711 4.320 0.334 0.000 0.271 931 K C -0.482 176.109 176.600 -0.014 0.000 1.018 931 K CA -0.737 55.552 56.287 0.003 0.000 0.874 931 K CB 0.898 33.402 32.500 0.007 0.000 1.098 931 K HN 0.434 nan 8.250 nan 0.000 0.458 932 R N 5.498 125.986 120.500 -0.021 0.000 2.351 932 R HA 0.097 4.637 4.340 0.334 0.000 0.318 932 R C 0.765 177.039 176.300 -0.043 0.000 1.055 932 R CA 0.193 56.251 56.100 -0.071 0.000 0.968 932 R CB 0.125 30.365 30.300 -0.099 0.000 0.974 932 R HN 0.795 nan 8.270 nan 0.000 0.439 933 I N 0.638 121.202 120.570 -0.010 0.000 4.240 933 I HA 0.501 4.871 4.170 0.334 0.000 0.331 933 I C 0.348 176.486 176.117 0.036 0.000 1.381 933 I CA -0.406 60.917 61.300 0.039 0.000 1.136 933 I CB 1.144 39.196 38.000 0.088 0.000 1.137 933 I HN 0.604 nan 8.210 nan 0.000 0.411 934 G N 0.320 109.095 108.800 -0.041 0.000 2.548 934 G HA2 0.632 4.793 3.960 0.334 0.000 0.301 934 G HA3 0.632 4.793 3.960 0.334 0.000 0.301 934 G C -2.308 172.458 174.900 -0.224 0.000 1.349 934 G CA -0.541 44.542 45.100 -0.029 0.000 0.792 934 G HN 0.079 nan 8.290 nan 0.000 0.481 935 Y N -0.627 119.717 120.300 0.072 0.000 2.552 935 Y HA 0.416 5.166 4.550 0.334 0.000 0.337 935 Y C -0.788 175.132 175.900 0.033 0.000 1.094 935 Y CA -0.947 57.193 58.100 0.066 0.000 1.028 935 Y CB 2.469 40.954 38.460 0.041 0.000 1.321 935 Y HN 0.385 nan 8.280 nan 0.000 0.456 936 D N 1.448 121.975 120.400 0.213 0.000 2.225 936 D HA 0.268 5.108 4.640 0.334 0.000 0.249 936 D C -1.073 175.290 176.300 0.105 0.000 1.052 936 D CA -0.241 53.829 54.000 0.116 0.000 0.909 936 D CB 1.288 42.144 40.800 0.093 0.000 1.186 936 D HN 0.538 nan 8.370 nan 0.000 0.431 937 N N 2.093 120.828 118.700 0.059 0.000 2.569 937 N HA 0.318 5.259 4.740 0.334 0.000 0.254 937 N C -2.279 173.244 175.510 0.022 0.000 1.004 937 N CA -0.971 52.098 53.050 0.031 0.000 0.904 937 N CB 1.633 40.130 38.487 0.017 0.000 1.165 937 N HN 0.176 nan 8.380 nan 0.000 0.513 938 P HA 0.312 nan 4.420 nan 0.000 0.282 938 P C 0.502 177.806 177.300 0.006 0.000 1.259 938 P CA -0.562 62.547 63.100 0.015 0.000 0.826 938 P CB 1.849 33.560 31.700 0.019 0.000 1.064 939 R N 1.547 122.051 120.500 0.006 0.000 2.096 939 R HA -0.070 4.470 4.340 0.334 0.000 0.235 939 R C 0.902 177.202 176.300 -0.000 0.000 1.127 939 R CA 1.465 57.566 56.100 0.002 0.000 0.968 939 R CB -0.182 30.120 30.300 0.003 0.000 0.861 939 R HN 0.661 nan 8.270 nan 0.000 0.440 940 R N -1.512 118.989 120.500 0.002 0.000 2.744 940 R HA 0.633 5.174 4.340 0.334 0.000 0.279 940 R C -0.393 175.907 176.300 0.001 0.000 0.977 940 R CA -0.535 55.565 56.100 -0.000 0.000 0.906 940 R CB 1.611 31.911 30.300 0.000 0.000 1.197 940 R HN 0.210 nan 8.270 nan 0.000 0.463 941 G N 0.855 109.654 108.800 -0.003 0.000 2.526 941 G HA2 -0.122 4.038 3.960 0.334 0.000 0.250 941 G HA3 -0.122 4.038 3.960 0.334 0.000 0.250 941 G C -0.514 174.383 174.900 -0.005 0.000 1.289 941 G CA -0.363 44.736 45.100 -0.002 0.000 0.947 941 G HN 1.078 nan 8.290 nan 0.000 0.517 942 T N -1.621 112.932 114.554 -0.003 0.000 2.937 942 T HA 0.745 5.296 4.350 0.334 0.000 0.283 942 T C 0.829 175.535 174.700 0.010 0.000 1.012 942 T CA -0.596 61.498 62.100 -0.009 0.000 0.997 942 T CB 1.361 70.218 68.868 -0.017 0.000 1.136 942 T HN 0.969 nan 8.240 nan 0.000 0.551 943 L N 1.633 122.855 121.223 -0.001 0.000 2.485 943 L HA 0.280 4.820 4.340 0.334 0.000 0.275 943 L C 0.336 177.286 176.870 0.133 0.000 1.207 943 L CA -0.171 54.696 54.840 0.046 0.000 0.855 943 L CB 0.530 42.552 42.059 -0.063 0.000 1.114 943 L HN 0.723 nan 8.230 nan 0.000 0.485 944 S N 3.599 119.416 115.700 0.194 0.000 2.566 944 S HA 0.380 5.051 4.470 0.334 0.000 0.324 944 S C -2.269 172.474 174.600 0.237 0.000 1.081 944 S CA -1.146 57.159 58.200 0.176 0.000 1.105 944 S CB 1.481 64.755 63.200 0.123 0.000 0.981 944 S HN 0.420 nan 8.310 nan 0.000 0.464 945 P HA 0.124 nan 4.420 nan 0.000 0.272 945 P C -1.275 175.993 177.300 -0.053 0.000 1.223 945 P CA -0.246 62.789 63.100 -0.108 0.000 0.784 945 P CB 0.478 32.125 31.700 -0.088 0.000 0.923 946 Y N 2.479 122.614 120.300 -0.275 0.000 2.354 946 Y HA 0.446 5.196 4.550 0.334 0.000 0.330 946 Y C -2.723 173.099 175.900 -0.131 0.000 1.011 946 Y CA -2.650 55.370 58.100 -0.133 0.000 1.099 946 Y CB 1.917 40.323 38.460 -0.090 0.000 1.179 946 Y HN 0.253 nan 8.280 nan 0.000 0.442 947 P HA 0.148 nan 4.420 nan 0.000 0.272 947 P C 0.472 177.632 177.300 -0.233 0.000 1.230 947 P CA 0.148 62.871 63.100 -0.629 0.000 0.788 947 P CB 1.076 32.514 31.700 -0.436 0.000 0.949 948 T N -0.088 114.381 114.554 -0.142 0.000 2.759 948 T HA -0.149 4.401 4.350 0.334 0.000 0.269 948 T C 0.736 175.463 174.700 0.045 0.000 1.042 948 T CA 1.605 63.696 62.100 -0.016 0.000 1.140 948 T CB -0.919 67.964 68.868 0.025 0.000 0.864 948 T HN 0.503 nan 8.240 nan 0.000 0.455 949 N N 1.790 120.546 118.700 0.093 0.000 2.597 949 N HA 0.167 5.107 4.740 0.334 0.000 0.269 949 N C -0.550 175.143 175.510 0.306 0.000 1.204 949 N CA -0.438 52.791 53.050 0.299 0.000 0.947 949 N CB 0.310 38.972 38.487 0.293 0.000 1.258 949 N HN 0.292 nan 8.380 nan 0.000 0.508 950 S N -1.232 114.557 115.700 0.148 0.000 2.501 950 S HA 0.468 5.139 4.470 0.334 0.000 0.301 950 S C 0.032 174.701 174.600 0.115 0.000 1.096 950 S CA -0.861 57.413 58.200 0.124 0.000 1.063 950 S CB 1.737 64.937 63.200 0.001 0.000 1.042 950 S HN -0.140 nan 8.310 nan 0.000 0.494 951 V N 4.028 124.039 119.914 0.161 0.000 2.614 951 V HA 0.274 4.594 4.120 0.334 0.000 0.291 951 V C 1.917 178.054 176.094 0.070 0.000 1.049 951 V CA -0.384 61.988 62.300 0.119 0.000 1.038 951 V CB 0.763 32.698 31.823 0.187 0.000 0.980 951 V HN 1.068 nan 8.190 nan 0.000 0.481 952 R N 2.710 123.242 120.500 0.053 0.000 2.066 952 R HA 0.006 4.546 4.340 0.334 0.000 0.232 952 R C 1.162 177.505 176.300 0.072 0.000 1.131 952 R CA 1.608 57.744 56.100 0.060 0.000 0.955 952 R CB -0.102 30.233 30.300 0.059 0.000 0.851 952 R HN 0.905 nan 8.270 nan 0.000 0.432 953 G N -0.269 108.580 108.800 0.082 0.000 3.377 953 G HA2 0.241 4.401 3.960 0.334 0.000 0.182 953 G HA3 0.241 4.401 3.960 0.334 0.000 0.182 953 G C -1.096 173.853 174.900 0.081 0.000 1.166 953 G CA -0.598 44.548 45.100 0.077 0.000 0.771 953 G HN -0.032 nan 8.290 nan 0.000 0.701 954 K N 0.528 120.976 120.400 0.080 0.000 2.237 954 K HA 0.490 5.010 4.320 0.334 0.000 0.270 954 K C -0.395 176.278 176.600 0.123 0.000 1.015 954 K CA 0.097 56.435 56.287 0.085 0.000 0.949 954 K CB 1.296 33.837 32.500 0.069 0.000 0.976 954 K HN 0.323 nan 8.250 nan 0.000 0.472 955 I N 2.298 122.961 120.570 0.154 0.000 2.740 955 I HA 0.499 4.869 4.170 0.334 0.000 0.303 955 I C -0.312 175.989 176.117 0.307 0.000 1.044 955 I CA -1.127 60.322 61.300 0.248 0.000 1.064 955 I CB 1.917 40.116 38.000 0.333 0.000 1.249 955 I HN 0.428 nan 8.210 nan 0.000 0.433 956 I N 3.132 123.874 120.570 0.287 0.000 2.722 956 I HA 0.725 5.095 4.170 0.334 0.000 0.295 956 I C -1.099 175.038 176.117 0.032 0.000 1.161 956 I CA -0.274 61.155 61.300 0.214 0.000 1.032 956 I CB 1.875 39.957 38.000 0.136 0.000 1.244 956 I HN 0.722 nan 8.210 nan 0.000 0.421 957 A N 7.637 130.331 122.820 -0.209 0.000 2.355 957 A HA 0.858 5.378 4.320 0.334 0.000 0.324 957 A C -1.105 176.399 177.584 -0.135 0.000 1.117 957 A CA -0.565 51.233 52.037 -0.397 0.000 0.785 957 A CB 1.052 19.354 19.000 -1.164 0.000 1.254 957 A HN 0.601 nan 8.150 nan 0.000 0.453 958 I N 1.166 121.710 120.570 -0.044 0.000 2.406 958 I HA 0.543 4.913 4.170 0.334 0.000 0.290 958 I C 0.129 176.262 176.117 0.027 0.000 0.999 958 I CA -0.277 61.044 61.300 0.035 0.000 1.124 958 I CB 2.208 40.281 38.000 0.122 0.000 1.289 958 I HN 0.635 nan 8.210 nan 0.000 0.441 959 T N 4.322 118.885 114.554 0.014 0.000 2.883 959 T HA 0.623 5.173 4.350 0.334 0.000 0.296 959 T C -1.129 173.550 174.700 -0.036 0.000 1.117 959 T CA -0.556 61.545 62.100 0.000 0.000 1.006 959 T CB 1.750 70.634 68.868 0.026 0.000 1.191 959 T HN 0.859 nan 8.240 nan 0.000 0.508 960 N N 0.288 118.933 118.700 -0.092 0.000 3.418 960 N HA 0.280 5.220 4.740 0.334 0.000 0.316 960 N C 0.594 175.995 175.510 -0.180 0.000 1.601 960 N CA -0.639 52.317 53.050 -0.156 0.000 0.805 960 N CB 0.227 38.563 38.487 -0.251 0.000 1.873 960 N HN 0.571 nan 8.380 nan 0.000 0.615 961 E N -0.537 119.474 120.200 -0.315 0.000 2.418 961 E HA -0.133 4.417 4.350 0.334 0.000 0.197 961 E C 0.154 176.574 176.600 -0.300 0.000 1.026 961 E CA 1.026 57.239 56.400 -0.312 0.000 0.862 961 E CB -0.506 28.953 29.700 -0.401 0.000 0.799 961 E HN 0.731 nan 8.360 nan 0.000 0.518 962 Y N 1.078 121.323 120.300 -0.093 0.000 2.461 962 Y HA 0.385 5.135 4.550 0.334 0.000 0.277 962 Y C 1.093 176.949 175.900 -0.072 0.000 1.182 962 Y CA -0.166 57.887 58.100 -0.079 0.000 1.276 962 Y CB 0.589 38.977 38.460 -0.121 0.000 1.087 962 Y HN 0.042 nan 8.280 nan 0.000 0.519 963 A N 0.612 123.463 122.820 0.052 0.000 2.301 963 A HA 0.792 5.312 4.320 0.334 0.000 0.312 963 A C 0.402 178.102 177.584 0.195 0.000 1.182 963 A CA 0.180 52.264 52.037 0.079 0.000 0.826 963 A CB 0.455 19.483 19.000 0.048 0.000 1.134 963 A HN 0.314 nan 8.150 nan 0.000 0.501 964 G N -0.455 108.474 108.800 0.214 0.000 2.550 964 G HA2 0.602 4.762 3.960 0.334 0.000 0.293 964 G HA3 0.602 4.762 3.960 0.334 0.000 0.293 964 G C 0.079 175.232 174.900 0.420 0.000 1.402 964 G CA 0.713 46.085 45.100 0.453 0.000 0.784 964 G HN 1.878 nan 8.290 nan 0.000 0.482 965 S N -1.202 114.892 115.700 0.657 0.000 4.139 965 S HA -0.347 4.323 4.470 0.334 0.000 0.603 965 S C 1.473 176.230 174.600 0.262 0.000 1.897 965 S CA 2.313 60.827 58.200 0.523 0.000 4.241 965 S CB -1.498 62.026 63.200 0.540 0.000 0.221 965 S HN 1.244 nan 8.310 nan 0.000 0.488 966 D N 0.947 121.455 120.400 0.179 0.000 2.351 966 D HA 0.112 4.953 4.640 0.334 0.000 0.216 966 D C 1.659 178.036 176.300 0.128 0.000 0.968 966 D CA 1.731 55.782 54.000 0.085 0.000 0.899 966 D CB -0.841 39.998 40.800 0.065 0.000 0.907 966 D HN 0.512 nan 8.370 nan 0.000 0.514 967 G N -0.448 108.450 108.800 0.164 0.000 2.494 967 G HA2 -0.154 4.007 3.960 0.334 0.000 0.216 967 G HA3 -0.154 4.007 3.960 0.334 0.000 0.216 967 G C 1.437 176.488 174.900 0.251 0.000 1.140 967 G CA 0.214 45.418 45.100 0.173 0.000 0.801 967 G HN 0.203 nan 8.290 nan 0.000 0.536 968 D N 0.904 121.466 120.400 0.270 0.000 2.097 968 D HA -0.064 4.776 4.640 0.334 0.000 0.197 968 D C 2.593 179.078 176.300 0.308 0.000 0.984 968 D CA 0.560 54.733 54.000 0.290 0.000 0.826 968 D CB 0.036 41.016 40.800 0.301 0.000 0.973 968 D HN 0.307 nan 8.370 nan 0.000 0.460 969 I N 0.567 121.274 120.570 0.228 0.000 2.163 969 I HA -0.283 4.088 4.170 0.334 0.000 0.243 969 I C 2.427 178.735 176.117 0.318 0.000 1.085 969 I CA 0.958 62.382 61.300 0.205 0.000 1.347 969 I CB -0.324 37.571 38.000 -0.175 0.000 1.044 969 I HN -0.068 nan 8.210 nan 0.000 0.408 970 F N 1.515 121.540 119.950 0.125 0.000 2.102 970 F HA -0.226 4.501 4.527 0.333 0.000 0.298 970 F C 2.698 178.601 175.800 0.171 0.000 1.105 970 F CA 1.849 59.920 58.000 0.117 0.000 1.239 970 F CB -0.220 38.802 39.000 0.036 0.000 0.991 970 F HN -0.087 nan 8.300 nan 0.000 0.474 971 S N 0.248 116.151 115.700 0.337 0.000 2.368 971 S HA -0.217 4.453 4.470 0.334 0.000 0.225 971 S C 1.813 176.487 174.600 0.124 0.000 1.030 971 S CA 1.506 59.831 58.200 0.209 0.000 0.999 971 S CB -0.822 62.506 63.200 0.214 0.000 0.844 971 S HN 0.517 nan 8.310 nan 0.000 0.459 972 F N 2.315 122.276 119.950 0.019 0.000 2.146 972 F HA -0.093 4.635 4.527 0.334 0.000 0.298 972 F C 2.457 178.135 175.800 -0.204 0.000 1.096 972 F CA 1.251 59.164 58.000 -0.146 0.000 1.275 972 F CB -0.417 38.388 39.000 -0.325 0.000 1.008 972 F HN 0.080 nan 8.300 nan 0.000 0.480 973 S N 0.306 116.060 115.700 0.089 0.000 2.382 973 S HA -0.208 4.462 4.470 0.334 0.000 0.228 973 S C 1.832 176.321 174.600 -0.184 0.000 1.027 973 S CA 1.287 59.483 58.200 -0.006 0.000 0.991 973 S CB -0.876 62.366 63.200 0.070 0.000 0.823 973 S HN 0.471 nan 8.310 nan 0.000 0.469 974 F N 2.445 122.155 119.950 -0.401 0.000 2.095 974 F HA -0.187 4.540 4.527 0.334 0.000 0.298 974 F C 2.117 177.761 175.800 -0.261 0.000 1.104 974 F CA 1.563 59.331 58.000 -0.388 0.000 1.232 974 F CB -0.156 38.597 39.000 -0.411 0.000 0.987 974 F HN 0.071 nan 8.300 nan 0.000 0.475 975 K N -0.189 120.158 120.400 -0.088 0.000 2.001 975 K HA -0.205 4.315 4.320 0.334 0.000 0.208 975 K C 2.065 178.483 176.600 -0.302 0.000 1.048 975 K CA 1.532 57.710 56.287 -0.182 0.000 0.932 975 K CB -0.346 32.006 32.500 -0.246 0.000 0.715 975 K HN -0.016 nan 8.250 nan 0.000 0.437 976 K N 1.624 121.763 120.400 -0.434 0.000 2.089 976 K HA -0.133 4.387 4.320 0.334 0.000 0.210 976 K C 1.630 178.093 176.600 -0.229 0.000 1.048 976 K CA 1.460 57.521 56.287 -0.378 0.000 0.926 976 K CB -0.259 31.997 32.500 -0.408 0.000 0.714 976 K HN 0.083 nan 8.250 nan 0.000 0.448 977 L N -0.758 120.329 121.223 -0.225 0.000 2.599 977 L HA 0.182 4.722 4.340 0.334 0.000 0.230 977 L C 1.003 177.739 176.870 -0.224 0.000 1.141 977 L CA 0.315 55.040 54.840 -0.192 0.000 0.877 977 L CB -0.280 41.665 42.059 -0.191 0.000 1.009 977 L HN 0.548 nan 8.230 nan 0.000 0.447 978 G N 0.302 108.948 108.800 -0.257 0.000 2.221 978 G HA2 -0.288 3.873 3.960 0.334 0.000 0.265 978 G HA3 -0.288 3.873 3.960 0.334 0.000 0.265 978 G C 0.581 175.297 174.900 -0.308 0.000 1.041 978 G CA 0.145 45.106 45.100 -0.230 0.000 0.807 978 G HN 0.217 nan 8.290 nan 0.000 0.502 979 L N -0.427 120.452 121.223 -0.572 0.000 2.201 979 L HA 0.439 4.979 4.340 0.334 0.000 0.212 979 L C 1.919 178.469 176.870 -0.533 0.000 1.105 979 L CA 2.398 56.794 54.840 -0.740 0.000 0.775 979 L CB -0.610 40.574 42.059 -1.459 0.000 0.913 979 L HN 1.163 nan 8.230 nan 0.000 0.440 980 G N -2.372 106.206 108.800 -0.370 0.000 2.333 980 G HA2 0.127 4.288 3.960 0.334 0.000 0.288 980 G HA3 0.127 4.288 3.960 0.334 0.000 0.288 980 G C -1.334 173.725 174.900 0.266 0.000 1.286 980 G CA -0.940 44.213 45.100 0.088 0.000 0.865 980 G HN -0.254 nan 8.290 nan 0.000 0.506 981 K N -0.196 120.373 120.400 0.281 0.000 2.144 981 K HA 0.593 5.113 4.320 0.334 0.000 0.270 981 K C -0.733 176.003 176.600 0.226 0.000 1.005 981 K CA -0.631 55.784 56.287 0.214 0.000 0.932 981 K CB 2.014 34.609 32.500 0.158 0.000 1.021 981 K HN 0.431 nan 8.250 nan 0.000 0.462 982 L N 3.581 124.891 121.223 0.145 0.000 2.296 982 L HA 0.426 4.967 4.340 0.334 0.000 0.286 982 L C -1.047 175.852 176.870 0.048 0.000 1.023 982 L CA -0.486 54.387 54.840 0.055 0.000 0.812 982 L CB 0.767 42.855 42.059 0.049 0.000 1.223 982 L HN 0.428 nan 8.230 nan 0.000 0.421 983 I N 4.342 124.936 120.570 0.039 0.000 2.646 983 I HA 0.937 5.307 4.170 0.334 0.000 0.299 983 I C 0.607 176.732 176.117 0.013 0.000 1.036 983 I CA 0.377 61.703 61.300 0.043 0.000 1.074 983 I CB 1.764 39.847 38.000 0.138 0.000 1.258 983 I HN 0.785 nan 8.210 nan 0.000 0.430 984 G N 3.026 111.812 108.800 -0.023 0.000 2.204 984 G HA2 0.187 4.348 3.960 0.334 0.000 0.153 984 G HA3 0.187 4.348 3.960 0.334 0.000 0.153 984 G C -0.613 174.266 174.900 -0.034 0.000 1.295 984 G CA -0.127 44.961 45.100 -0.020 0.000 1.257 984 G HN 0.895 nan 8.290 nan 0.000 0.495 985 T N -1.924 112.609 114.554 -0.036 0.000 2.906 985 T HA 0.707 5.257 4.350 0.334 0.000 0.295 985 T C 0.001 174.664 174.700 -0.061 0.000 1.075 985 T CA -0.047 62.025 62.100 -0.048 0.000 1.005 985 T CB 2.404 71.242 68.868 -0.050 0.000 1.136 985 T HN 0.950 nan 8.240 nan 0.000 0.498 986 R N 1.777 122.228 120.500 -0.082 0.000 2.537 986 R HA 0.226 4.766 4.340 0.334 0.000 0.281 986 R C 0.908 177.156 176.300 -0.086 0.000 0.988 986 R CA 0.340 56.373 56.100 -0.111 0.000 1.077 986 R CB -0.108 30.061 30.300 -0.217 0.000 0.932 986 R HN 0.938 nan 8.270 nan 0.000 0.409 987 T N 1.449 115.990 114.554 -0.022 0.000 2.701 987 T HA -0.071 4.479 4.350 0.334 0.000 0.303 987 T C 0.954 175.740 174.700 0.144 0.000 1.030 987 T CA -0.212 61.932 62.100 0.073 0.000 1.010 987 T CB 0.432 69.389 68.868 0.149 0.000 1.007 987 T HN 0.847 nan 8.240 nan 0.000 0.532 988 W N 1.786 123.127 121.300 0.068 0.000 2.321 988 W HA 0.069 4.929 4.660 0.333 0.000 0.306 988 W C 1.681 178.358 176.519 0.263 0.000 1.217 988 W CA 2.029 59.481 57.345 0.178 0.000 1.257 988 W CB -0.999 28.591 29.460 0.216 0.000 1.145 988 W HN 1.397 nan 8.180 nan 0.000 0.509 989 G N 0.055 108.977 108.800 0.203 0.000 2.291 989 G HA2 -0.011 4.150 3.960 0.334 0.000 0.271 989 G HA3 -0.011 4.150 3.960 0.334 0.000 0.271 989 G C 0.058 174.950 174.900 -0.013 0.000 1.099 989 G CA -0.004 45.142 45.100 0.078 0.000 0.919 989 G HN 1.026 nan 8.290 nan 0.000 0.496 990 G N -0.942 107.812 108.800 -0.077 0.000 2.990 990 G HA2 0.659 4.820 3.960 0.334 0.000 0.300 990 G HA3 0.659 4.820 3.960 0.334 0.000 0.300 990 G C 0.320 175.414 174.900 0.324 0.000 1.498 990 G CA 0.221 45.196 45.100 -0.208 0.000 1.074 990 G HN 1.639 nan 8.290 nan 0.000 0.542 991 V N 0.326 120.359 119.914 0.198 0.000 2.854 991 V HA 0.433 4.753 4.120 0.334 0.000 0.366 991 V C -0.353 175.747 176.094 0.009 0.000 1.322 991 V CA -0.661 61.727 62.300 0.147 0.000 1.243 991 V CB 0.458 32.359 31.823 0.130 0.000 1.337 991 V HN 0.224 nan 8.190 nan 0.000 0.585 992 V N 2.213 122.079 119.914 -0.081 0.000 2.304 992 V HA 0.755 5.075 4.120 0.334 0.000 0.278 992 V C 1.276 177.154 176.094 -0.359 0.000 1.018 992 V CA 0.182 62.343 62.300 -0.233 0.000 0.814 992 V CB 0.869 32.511 31.823 -0.302 0.000 1.021 992 V HN 0.618 nan 8.190 nan 0.000 0.440 993 G N 4.755 113.404 108.800 -0.251 0.000 2.667 993 G HA2 0.562 4.723 3.960 0.334 0.000 0.250 993 G HA3 0.562 4.723 3.960 0.334 0.000 0.250 993 G C -0.324 174.578 174.900 0.002 0.000 1.212 993 G CA -0.268 44.674 45.100 -0.262 0.000 0.874 993 G HN 0.873 nan 8.290 nan 0.000 0.561 994 I N -3.643 116.912 120.570 -0.024 0.000 2.934 994 I HA 0.781 5.151 4.170 0.334 0.000 0.306 994 I C -0.787 175.391 176.117 0.102 0.000 1.110 994 I CA -0.930 60.431 61.300 0.103 0.000 1.019 994 I CB 2.778 40.776 38.000 -0.003 0.000 1.227 994 I HN 0.321 nan 8.210 nan 0.000 0.434 995 T N 3.480 118.154 114.554 0.199 0.000 3.477 995 T HA 0.307 4.857 4.350 0.334 0.000 0.277 995 T C -2.571 172.177 174.700 0.081 0.000 1.090 995 T CA -0.506 61.651 62.100 0.094 0.000 1.635 995 T CB 0.390 69.327 68.868 0.114 0.000 0.817 995 T HN 0.587 nan 8.240 nan 0.000 0.609 996 P HA 0.220 nan 4.420 nan 0.000 0.268 996 P C -0.023 177.312 177.300 0.058 0.000 1.204 996 P CA -0.200 62.931 63.100 0.051 0.000 0.768 996 P CB 0.943 32.671 31.700 0.047 0.000 0.842 997 K N 1.526 121.982 120.400 0.093 0.000 2.562 997 K HA 0.336 4.857 4.320 0.334 0.000 0.201 997 K C 0.409 177.176 176.600 0.278 0.000 1.131 997 K CA -0.551 55.823 56.287 0.146 0.000 1.059 997 K CB 0.979 33.508 32.500 0.047 0.000 0.913 997 K HN 0.242 nan 8.250 nan 0.000 0.563 998 R N 1.148 121.767 120.500 0.198 0.000 2.584 998 R HA 0.406 4.946 4.340 0.334 0.000 0.276 998 R C -1.102 175.256 176.300 0.098 0.000 1.046 998 R CA -0.708 55.490 56.100 0.164 0.000 0.906 998 R CB 2.292 32.691 30.300 0.165 0.000 1.215 998 R HN 0.051 nan 8.270 nan 0.000 0.449 999 R N 2.096 122.642 120.500 0.077 0.000 2.787 999 R HA 0.522 5.062 4.340 0.334 0.000 0.271 999 R C 0.034 176.366 176.300 0.052 0.000 0.993 999 R CA -0.869 55.273 56.100 0.071 0.000 0.993 999 R CB 1.332 31.682 30.300 0.083 0.000 1.155 999 R HN 0.298 nan 8.270 nan 0.000 0.486 1000 L N 2.156 123.413 121.223 0.056 0.000 2.479 1000 L HA 0.220 4.760 4.340 0.334 0.000 0.248 1000 L C 2.117 179.013 176.870 0.044 0.000 1.205 1000 L CA -0.173 54.690 54.840 0.039 0.000 0.817 1000 L CB 0.343 42.423 42.059 0.036 0.000 1.162 1000 L HN 0.737 nan 8.230 nan 0.000 0.486 1001 I N -1.596 118.985 120.570 0.018 0.000 2.567 1001 I HA -0.190 4.180 4.170 0.334 0.000 0.257 1001 I C 1.322 177.450 176.117 0.019 0.000 1.184 1001 I CA 1.266 62.572 61.300 0.009 0.000 1.451 1001 I CB -0.492 37.486 38.000 -0.036 0.000 1.089 1001 I HN 0.738 nan 8.210 nan 0.000 0.441 1002 D N 0.875 121.287 120.400 0.019 0.000 2.342 1002 D HA 0.151 4.992 4.640 0.334 0.000 0.221 1002 D C 1.577 178.069 176.300 0.321 0.000 1.101 1002 D CA 0.521 54.550 54.000 0.050 0.000 0.837 1002 D CB 0.397 41.163 40.800 -0.056 0.000 0.938 1002 D HN 0.529 nan 8.370 nan 0.000 0.508 1003 G N -0.021 108.924 108.800 0.241 0.000 2.194 1003 G HA2 -0.262 3.898 3.960 0.334 0.000 0.236 1003 G HA3 -0.262 3.898 3.960 0.334 0.000 0.236 1003 G C 0.462 175.451 174.900 0.148 0.000 0.987 1003 G CA 0.170 45.393 45.100 0.205 0.000 0.635 1003 G HN 0.428 nan 8.290 nan 0.000 0.520 1004 T N 1.270 115.905 114.554 0.135 0.000 2.908 1004 T HA 0.390 4.941 4.350 0.334 0.000 0.301 1004 T C 0.492 175.253 174.700 0.102 0.000 1.019 1004 T CA 0.397 62.573 62.100 0.128 0.000 1.152 1004 T CB 2.040 70.974 68.868 0.109 0.000 0.966 1004 T HN 0.538 nan 8.240 nan 0.000 0.540 1005 V N 6.024 125.998 119.914 0.100 0.000 2.318 1005 V HA 0.316 4.637 4.120 0.334 0.000 0.271 1005 V C 0.295 176.441 176.094 0.085 0.000 1.030 1005 V CA -0.583 61.767 62.300 0.083 0.000 0.844 1005 V CB 0.447 32.312 31.823 0.069 0.000 1.015 1005 V HN 0.702 nan 8.190 nan 0.000 0.460 1006 L N 4.582 125.848 121.223 0.072 0.000 2.399 1006 L HA 0.729 5.269 4.340 0.334 0.000 0.265 1006 L C 0.557 177.457 176.870 0.050 0.000 1.089 1006 L CA -0.236 54.643 54.840 0.064 0.000 0.802 1006 L CB 2.064 44.146 42.059 0.038 0.000 1.180 1006 L HN 0.738 nan 8.230 nan 0.000 0.454 1007 T N -0.821 113.755 114.554 0.036 0.000 2.893 1007 T HA 0.667 5.217 4.350 0.334 0.000 0.291 1007 T C -0.761 173.896 174.700 -0.071 0.000 1.028 1007 T CA -0.975 61.122 62.100 -0.005 0.000 0.995 1007 T CB 2.131 70.999 68.868 0.001 0.000 1.051 1007 T HN 0.408 nan 8.240 nan 0.000 0.470 1008 Q N 2.226 121.975 119.800 -0.084 0.000 2.353 1008 Q HA 0.496 5.037 4.340 0.334 0.000 0.268 1008 Q C -2.735 173.200 176.000 -0.108 0.000 1.045 1008 Q CA -2.220 53.509 55.803 -0.125 0.000 0.811 1008 Q CB 2.296 30.943 28.738 -0.151 0.000 1.305 1008 Q HN 0.482 nan 8.270 nan 0.000 0.447 1009 P HA 0.001 nan 4.420 nan 0.000 0.271 1009 P C -0.492 176.716 177.300 -0.153 0.000 1.380 1009 P CA 0.326 63.372 63.100 -0.090 0.000 0.992 1009 P CB 0.824 32.513 31.700 -0.019 0.000 1.230 1010 E N 2.214 122.285 120.200 -0.214 0.000 2.389 1010 E HA 0.089 4.640 4.350 0.334 0.000 0.199 1010 E C -0.468 175.725 176.600 -0.677 0.000 0.978 1010 E CA 0.173 56.284 56.400 -0.481 0.000 0.912 1010 E CB 0.239 29.514 29.700 -0.707 0.000 0.907 1010 E HN 0.315 nan 8.360 nan 0.000 0.494 1011 F N 0.815 120.671 119.950 -0.157 0.000 2.430 1011 F HA 0.475 5.201 4.527 0.333 0.000 0.362 1011 F C -0.146 175.489 175.800 -0.276 0.000 1.103 1011 F CA -0.993 56.914 58.000 -0.155 0.000 1.045 1011 F CB 1.435 40.365 39.000 -0.115 0.000 1.276 1011 F HN -0.131 nan 8.300 nan 0.000 0.444 1012 A N 3.534 126.140 122.820 -0.358 0.000 2.354 1012 A HA 0.443 4.963 4.320 0.334 0.000 0.281 1012 A C -0.839 176.680 177.584 -0.108 0.000 1.174 1012 A CA -0.293 51.373 52.037 -0.619 0.000 0.828 1012 A CB -0.042 17.808 19.000 -1.917 0.000 1.099 1012 A HN 0.621 nan 8.150 nan 0.000 0.516 1013 F N 2.859 122.722 119.950 -0.145 0.000 2.427 1013 F HA 0.473 5.200 4.527 0.333 0.000 0.352 1013 F C -0.268 175.509 175.800 -0.038 0.000 1.100 1013 F CA -0.230 57.700 58.000 -0.116 0.000 1.191 1013 F CB 0.597 39.459 39.000 -0.231 0.000 1.128 1013 F HN 0.657 nan 8.300 nan 0.000 0.533 1014 W N 8.256 128.919 121.300 -1.060 0.000 2.600 1014 W HA 0.509 5.369 4.660 0.334 0.000 0.325 1014 W C -1.963 173.929 176.519 -1.046 0.000 1.034 1014 W CA -1.066 55.691 57.345 -0.980 0.000 1.226 1014 W CB 0.961 29.797 29.460 -1.041 0.000 1.379 1014 W HN 0.372 nan 8.180 nan 0.000 0.466 1015 F N 5.266 124.551 119.950 -1.108 0.000 2.404 1015 F HA 0.418 5.146 4.527 0.335 0.000 0.339 1015 F C 1.031 176.013 175.800 -1.363 0.000 1.105 1015 F CA -1.092 56.374 58.000 -0.889 0.000 1.087 1015 F CB 1.212 39.810 39.000 -0.669 0.000 1.143 1015 F HN 0.210 nan 8.300 nan 0.000 0.491 1016 R N 2.631 122.780 120.500 -0.586 0.000 2.522 1016 R HA 0.060 4.600 4.340 0.334 0.000 0.284 1016 R C -0.148 175.946 176.300 -0.344 0.000 1.032 1016 R CA 0.961 56.730 56.100 -0.551 0.000 1.049 1016 R CB 0.049 30.312 30.300 -0.061 0.000 0.956 1016 R HN 0.942 nan 8.270 nan 0.000 0.422 1017 D N 1.626 121.826 120.400 -0.334 0.000 2.734 1017 D HA -0.298 4.543 4.640 0.334 0.000 0.194 1017 D C 0.528 176.721 176.300 -0.179 0.000 1.459 1017 D CA 1.849 55.751 54.000 -0.163 0.000 1.925 1017 D CB -1.090 39.671 40.800 -0.065 0.000 1.370 1017 D HN 0.597 nan 8.370 nan 0.000 0.511 1018 A N 0.664 123.338 122.820 -0.243 0.000 2.267 1018 A HA 0.593 5.113 4.320 0.334 0.000 0.213 1018 A C 1.744 179.124 177.584 -0.339 0.000 1.192 1018 A CA 1.765 53.684 52.037 -0.196 0.000 0.851 1018 A CB -0.302 18.613 19.000 -0.142 0.000 0.881 1018 A HN 1.088 nan 8.150 nan 0.000 0.494 1019 G N -0.334 108.027 108.800 -0.731 0.000 2.566 1019 G HA2 -0.342 3.819 3.960 0.334 0.000 0.280 1019 G HA3 -0.342 3.819 3.960 0.334 0.000 0.280 1019 G C 0.421 174.921 174.900 -0.667 0.000 1.225 1019 G CA 0.614 45.170 45.100 -0.907 0.000 0.966 1019 G HN 0.548 nan 8.290 nan 0.000 0.560 1020 F N 2.508 122.450 119.950 -0.013 0.000 2.765 1020 F HA 0.306 5.033 4.527 0.333 0.000 0.302 1020 F C 2.660 178.473 175.800 0.022 0.000 1.111 1020 F CA 0.676 58.691 58.000 0.025 0.000 1.359 1020 F CB 0.132 39.192 39.000 0.101 0.000 1.097 1020 F HN 0.578 nan 8.300 nan 0.000 0.577 1021 G N 0.419 109.301 108.800 0.136 0.000 2.517 1021 G HA2 -0.244 3.916 3.960 0.334 0.000 0.222 1021 G HA3 -0.244 3.916 3.960 0.334 0.000 0.222 1021 G C 1.720 176.700 174.900 0.133 0.000 1.109 1021 G CA 1.280 46.439 45.100 0.098 0.000 0.746 1021 G HN 0.268 nan 8.290 nan 0.000 0.576 1022 V N 0.745 120.739 119.914 0.134 0.000 2.407 1022 V HA -0.069 4.251 4.120 0.334 0.000 0.248 1022 V C 1.448 177.682 176.094 0.234 0.000 1.055 1022 V CA 1.350 63.770 62.300 0.200 0.000 1.049 1022 V CB -0.497 31.431 31.823 0.175 0.000 0.662 1022 V HN 0.546 nan 8.190 nan 0.000 0.455 1023 E N 1.366 121.692 120.200 0.210 0.000 2.465 1023 E HA -0.115 4.435 4.350 0.334 0.000 0.260 1023 E C 0.751 177.513 176.600 0.270 0.000 0.980 1023 E CA 0.835 57.363 56.400 0.213 0.000 0.927 1023 E CB -0.766 29.028 29.700 0.156 0.000 0.934 1023 E HN 0.431 nan 8.360 nan 0.000 0.459 1024 N N 2.606 121.515 118.700 0.348 0.000 2.741 1024 N HA -0.326 4.615 4.740 0.334 0.000 0.250 1024 N C -0.788 174.791 175.510 0.115 0.000 1.115 1024 N CA 0.873 54.106 53.050 0.305 0.000 0.724 1024 N CB -0.611 38.095 38.487 0.366 0.000 1.090 1024 N HN 0.683 nan 8.380 nan 0.000 0.558 1025 Y N -1.272 119.015 120.300 -0.022 0.000 3.189 1025 Y HA 0.380 5.130 4.550 0.334 0.000 0.213 1025 Y C 1.054 176.938 175.900 -0.026 0.000 1.032 1025 Y CA 2.028 60.091 58.100 -0.061 0.000 1.482 1025 Y CB 0.422 38.880 38.460 -0.002 0.000 1.460 1025 Y HN 0.246 nan 8.280 nan 0.000 0.398 1026 G N 0.744 109.576 108.800 0.053 0.000 2.416 1026 G HA2 0.060 4.220 3.960 0.334 0.000 0.203 1026 G HA3 0.060 4.220 3.960 0.334 0.000 0.203 1026 G C -1.833 173.146 174.900 0.133 0.000 1.227 1026 G CA -0.516 44.598 45.100 0.024 0.000 1.041 1026 G HN 0.656 nan 8.290 nan 0.000 0.546 1027 V N 1.379 121.349 119.914 0.094 0.000 2.483 1027 V HA 0.488 4.808 4.120 0.334 0.000 0.297 1027 V C -0.804 175.333 176.094 0.072 0.000 1.027 1027 V CA -0.932 61.475 62.300 0.179 0.000 0.855 1027 V CB 1.736 33.699 31.823 0.234 0.000 0.995 1027 V HN 0.694 nan 8.190 nan 0.000 0.424 1028 D N 6.477 126.938 120.400 0.102 0.000 2.350 1028 D HA 0.304 5.144 4.640 0.334 0.000 0.249 1028 D C -2.197 174.118 176.300 0.025 0.000 1.119 1028 D CA -0.802 53.226 54.000 0.047 0.000 0.886 1028 D CB 1.985 42.841 40.800 0.094 0.000 1.195 1028 D HN 0.319 nan 8.370 nan 0.000 0.437 1029 P HA 0.142 nan 4.420 nan 0.000 0.278 1029 P C 0.154 177.454 177.300 -0.000 0.000 1.258 1029 P CA -0.417 62.684 63.100 0.001 0.000 0.811 1029 P CB 1.466 33.159 31.700 -0.012 0.000 1.063 1030 D N -0.368 120.039 120.400 0.011 0.000 2.144 1030 D HA -0.021 4.820 4.640 0.334 0.000 0.200 1030 D C 0.345 176.648 176.300 0.004 0.000 0.978 1030 D CA 1.537 55.546 54.000 0.014 0.000 0.833 1030 D CB 0.166 40.990 40.800 0.040 0.000 0.961 1030 D HN 0.097 nan 8.370 nan 0.000 0.470 1031 V N 1.228 121.135 119.914 -0.012 0.000 2.482 1031 V HA 0.119 4.439 4.120 0.334 0.000 0.295 1031 V C -0.102 175.911 176.094 -0.135 0.000 1.026 1031 V CA -0.904 61.345 62.300 -0.085 0.000 0.856 1031 V CB 2.324 34.070 31.823 -0.129 0.000 1.001 1031 V HN -0.063 nan 8.190 nan 0.000 0.424 1032 E N 4.632 124.760 120.200 -0.120 0.000 2.223 1032 E HA 0.439 4.990 4.350 0.334 0.000 0.282 1032 E C -1.326 175.184 176.600 -0.150 0.000 1.046 1032 E CA -0.418 55.921 56.400 -0.103 0.000 0.857 1032 E CB 0.799 30.462 29.700 -0.061 0.000 1.055 1032 E HN 0.585 nan 8.360 nan 0.000 0.409 1033 I N 5.375 125.864 120.570 -0.135 0.000 2.495 1033 I HA 0.121 4.491 4.170 0.334 0.000 0.277 1033 I C -0.128 175.960 176.117 -0.049 0.000 1.045 1033 I CA -0.519 60.697 61.300 -0.140 0.000 1.135 1033 I CB 1.376 39.251 38.000 -0.209 0.000 1.241 1033 I HN 0.418 nan 8.210 nan 0.000 0.469 1034 E N 3.397 123.603 120.200 0.010 0.000 2.408 1034 E HA 0.034 4.585 4.350 0.334 0.000 0.259 1034 E C -0.996 175.642 176.600 0.064 0.000 1.110 1034 E CA -0.018 56.439 56.400 0.095 0.000 0.929 1034 E CB 0.990 30.822 29.700 0.221 0.000 0.971 1034 E HN 0.334 nan 8.360 nan 0.000 0.438 1035 Y N 0.739 121.002 120.300 -0.060 0.000 2.863 1035 Y HA 0.378 5.129 4.550 0.334 0.000 0.348 1035 Y C -0.221 175.517 175.900 -0.271 0.000 1.028 1035 Y CA -1.104 56.887 58.100 -0.181 0.000 1.213 1035 Y CB 0.178 38.552 38.460 -0.144 0.000 1.120 1035 Y HN 0.490 nan 8.280 nan 0.000 0.598 1036 A N 5.801 128.519 122.820 -0.170 0.000 2.366 1036 A HA 0.347 4.867 4.320 0.334 0.000 0.249 1036 A C -1.566 175.665 177.584 -0.587 0.000 1.084 1036 A CA -1.130 50.505 52.037 -0.671 0.000 0.794 1036 A CB 0.259 18.780 19.000 -0.798 0.000 1.034 1036 A HN 0.559 nan 8.150 nan 0.000 0.491 1037 P HA -0.207 nan 4.420 nan 0.000 0.216 1037 P C 0.730 177.827 177.300 -0.339 0.000 1.153 1037 P CA 2.166 64.870 63.100 -0.660 0.000 0.858 1037 P CB -0.194 30.716 31.700 -1.318 0.000 0.789 1038 H N -2.511 116.535 119.070 -0.040 0.000 2.521 1038 H HA -0.005 4.752 4.556 0.334 0.000 0.286 1038 H C 1.355 176.735 175.328 0.087 0.000 1.034 1038 H CA 0.982 57.116 56.048 0.143 0.000 1.278 1038 H CB -1.317 28.612 29.762 0.278 0.000 1.386 1038 H HN 0.111 nan 8.280 nan 0.000 0.567 1039 D N 0.574 120.958 120.400 -0.027 0.000 2.123 1039 D HA -0.133 4.707 4.640 0.334 0.000 0.200 1039 D C 1.505 177.820 176.300 0.024 0.000 0.976 1039 D CA 1.092 55.087 54.000 -0.008 0.000 0.831 1039 D CB -0.322 40.372 40.800 -0.176 0.000 0.974 1039 D HN 0.462 nan 8.370 nan 0.000 0.469 1040 Y N 1.031 121.383 120.300 0.086 0.000 2.242 1040 Y HA -0.051 4.699 4.550 0.334 0.000 0.291 1040 Y C 2.516 178.422 175.900 0.011 0.000 1.137 1040 Y CA 0.458 58.586 58.100 0.046 0.000 1.181 1040 Y CB -0.280 38.105 38.460 -0.126 0.000 0.989 1040 Y HN -0.079 nan 8.280 nan 0.000 0.527 1041 L N -0.534 120.783 121.223 0.157 0.000 2.083 1041 L HA -0.220 4.321 4.340 0.334 0.000 0.209 1041 L C 2.350 179.286 176.870 0.110 0.000 1.083 1041 L CA 1.763 56.676 54.840 0.122 0.000 0.752 1041 L CB -0.542 41.609 42.059 0.155 0.000 0.899 1041 L HN 0.296 nan 8.230 nan 0.000 0.433 1042 S N -1.095 114.671 115.700 0.110 0.000 2.593 1042 S HA 0.110 4.780 4.470 0.334 0.000 0.217 1042 S C 1.467 176.098 174.600 0.052 0.000 0.966 1042 S CA 0.342 58.590 58.200 0.080 0.000 0.914 1042 S CB 0.361 63.610 63.200 0.082 0.000 0.776 1042 S HN 0.527 nan 8.310 nan 0.000 0.523 1043 G N 1.231 110.065 108.800 0.057 0.000 2.160 1043 G HA2 -0.299 3.862 3.960 0.334 0.000 0.251 1043 G HA3 -0.299 3.862 3.960 0.334 0.000 0.251 1043 G C -0.173 174.716 174.900 -0.019 0.000 1.008 1043 G CA 0.481 45.601 45.100 0.033 0.000 0.724 1043 G HN 0.768 nan 8.290 nan 0.000 0.514 1044 K N 0.458 120.833 120.400 -0.041 0.000 2.206 1044 K HA 0.439 4.959 4.320 0.334 0.000 0.264 1044 K C -1.171 175.280 176.600 -0.248 0.000 0.967 1044 K CA -0.857 55.362 56.287 -0.114 0.000 0.844 1044 K CB 0.918 33.371 32.500 -0.079 0.000 1.099 1044 K HN -0.013 nan 8.250 nan 0.000 0.441 1045 D N 6.692 126.920 120.400 -0.287 0.000 2.479 1045 D HA 0.125 4.966 4.640 0.334 0.000 0.218 1045 D C -1.513 174.524 176.300 -0.437 0.000 1.131 1045 D CA -2.377 51.349 54.000 -0.456 0.000 0.916 1045 D CB 1.420 42.096 40.800 -0.207 0.000 1.022 1045 D HN 0.373 nan 8.370 nan 0.000 0.515 1046 P HA -0.175 nan 4.420 nan 0.000 0.220 1046 P C 1.090 178.283 177.300 -0.177 0.000 1.148 1046 P CA 1.062 63.972 63.100 -0.316 0.000 0.803 1046 P CB 0.632 32.129 31.700 -0.339 0.000 0.782 1047 Q N -0.455 119.200 119.800 -0.241 0.000 2.049 1047 Q HA -0.039 4.502 4.340 0.334 0.000 0.198 1047 Q C 2.453 178.486 176.000 0.056 0.000 0.971 1047 Q CA 0.910 56.688 55.803 -0.043 0.000 0.833 1047 Q CB -0.481 28.255 28.738 -0.003 0.000 0.896 1047 Q HN 0.225 nan 8.270 nan 0.000 0.434 1048 I N 0.829 121.417 120.570 0.029 0.000 2.394 1048 I HA -0.253 4.118 4.170 0.334 0.000 0.251 1048 I C 1.179 177.352 176.117 0.092 0.000 1.136 1048 I CA 1.006 62.350 61.300 0.074 0.000 1.425 1048 I CB 0.097 38.112 38.000 0.025 0.000 1.079 1048 I HN 0.172 nan 8.210 nan 0.000 0.425 1049 D N -0.100 120.347 120.400 0.079 0.000 2.117 1049 D HA -0.250 4.590 4.640 0.334 0.000 0.197 1049 D C 1.829 178.171 176.300 0.070 0.000 0.987 1049 D CA 1.341 55.395 54.000 0.089 0.000 0.829 1049 D CB -0.311 40.529 40.800 0.066 0.000 0.961 1049 D HN 0.415 nan 8.370 nan 0.000 0.460 1050 Y N 1.352 121.644 120.300 -0.013 0.000 2.200 1050 Y HA -0.141 4.609 4.550 0.334 0.000 0.290 1050 Y C 2.213 178.119 175.900 0.010 0.000 1.137 1050 Y CA 1.669 59.765 58.100 -0.005 0.000 1.163 1050 Y CB -0.285 38.168 38.460 -0.013 0.000 0.988 1050 Y HN -0.053 nan 8.280 nan 0.000 0.518 1051 A N 0.436 123.329 122.820 0.121 0.000 1.877 1051 A HA -0.188 4.333 4.320 0.334 0.000 0.216 1051 A C 2.280 179.849 177.584 -0.026 0.000 1.186 1051 A CA 2.056 54.133 52.037 0.066 0.000 0.620 1051 A CB -1.122 17.954 19.000 0.125 0.000 0.822 1051 A HN 0.566 nan 8.150 nan 0.000 0.443 1052 I N -0.124 120.434 120.570 -0.021 0.000 2.142 1052 I HA -0.242 4.129 4.170 0.334 0.000 0.240 1052 I C 1.885 177.943 176.117 -0.098 0.000 1.078 1052 I CA 1.611 62.880 61.300 -0.052 0.000 1.343 1052 I CB -0.532 37.427 38.000 -0.068 0.000 1.046 1052 I HN 0.248 nan 8.210 nan 0.000 0.405 1053 D N 1.101 121.417 120.400 -0.141 0.000 2.144 1053 D HA -0.139 4.701 4.640 0.334 0.000 0.199 1053 D C 2.228 178.389 176.300 -0.231 0.000 0.984 1053 D CA 1.505 55.400 54.000 -0.174 0.000 0.834 1053 D CB -0.213 40.479 40.800 -0.180 0.000 0.955 1053 D HN 0.354 nan 8.370 nan 0.000 0.465 1054 A N 0.598 123.203 122.820 -0.358 0.000 1.902 1054 A HA -0.103 4.418 4.320 0.334 0.000 0.217 1054 A C 2.359 179.864 177.584 -0.133 0.000 1.181 1054 A CA 0.818 52.661 52.037 -0.322 0.000 0.623 1054 A CB -0.713 18.045 19.000 -0.403 0.000 0.818 1054 A HN 0.199 nan 8.150 nan 0.000 0.443 1055 L N -0.627 120.546 121.223 -0.084 0.000 2.056 1055 L HA -0.137 4.403 4.340 0.334 0.000 0.207 1055 L C 2.463 179.317 176.870 -0.027 0.000 1.078 1055 L CA 1.047 55.873 54.840 -0.024 0.000 0.749 1055 L CB -0.420 41.643 42.059 0.007 0.000 0.901 1055 L HN 0.391 nan 8.230 nan 0.000 0.433 1056 I N -0.092 120.450 120.570 -0.047 0.000 2.208 1056 I HA -0.327 4.044 4.170 0.334 0.000 0.245 1056 I C 2.579 178.675 176.117 -0.036 0.000 1.097 1056 I CA 1.391 62.668 61.300 -0.039 0.000 1.363 1056 I CB -0.191 37.776 38.000 -0.054 0.000 1.051 1056 I HN 0.296 nan 8.210 nan 0.000 0.413 1057 E N 1.439 121.608 120.200 -0.052 0.000 2.051 1057 E HA -0.236 4.315 4.350 0.334 0.000 0.192 1057 E C 1.965 178.551 176.600 -0.023 0.000 0.991 1057 E CA 1.601 57.976 56.400 -0.042 0.000 0.799 1057 E CB -0.102 29.562 29.700 -0.059 0.000 0.748 1057 E HN 0.431 nan 8.360 nan 0.000 0.449 1058 E N -0.627 119.561 120.200 -0.019 0.000 2.150 1058 E HA -0.135 4.416 4.350 0.334 0.000 0.193 1058 E C 1.424 178.027 176.600 0.005 0.000 0.985 1058 E CA 0.671 57.070 56.400 -0.002 0.000 0.814 1058 E CB -0.018 29.687 29.700 0.009 0.000 0.752 1058 E HN 0.203 nan 8.360 nan 0.000 0.466 1059 L N 0.640 121.866 121.223 0.004 0.000 2.610 1059 L HA -0.012 4.528 4.340 0.334 0.000 0.232 1059 L C 1.844 178.717 176.870 0.005 0.000 1.149 1059 L CA 0.933 55.780 54.840 0.011 0.000 0.872 1059 L CB -0.279 41.789 42.059 0.016 0.000 0.992 1059 L HN -0.013 nan 8.230 nan 0.000 0.447 1060 R N -0.816 119.683 120.500 -0.001 0.000 2.073 1060 R HA 0.026 4.567 4.340 0.334 0.000 0.229 1060 R C 0.315 176.616 176.300 0.001 0.000 1.120 1060 R CA 0.731 56.829 56.100 -0.003 0.000 0.967 1060 R CB 0.094 30.390 30.300 -0.007 0.000 0.862 1060 R HN 0.387 nan 8.270 nan 0.000 0.436 1061 N N 0.000 118.702 118.700 0.003 0.000 1.763 1061 N HA 0.000 4.940 4.740 0.334 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