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 2adv_1_C DATA FIRST_RESID 29 DATA SEQUENCE DYFTLYEAHL VTPDFEIYGA TQIGLPVIRF AFNQRMGITN TVNGMVGATN DATA SEQUENCE YRLTLQDGGY LYDGQVRPFE RRQASYRLRQ ADGTTVDKPL EIRSSVHGPV DATA SEQUENCE FERADGTAVA VRVAGLDRPG MLEQYFDMIT ADSFDDYEAA LARMQVPTFN DATA SEQUENCE IVYADREGTI NYSFNGVAPK RAEGDIAFWQ GLVPGDSSRY LWTETHPLDD DATA SEQUENCE LPRVTNPPGG FVQNSNDPPW TPTWPVTYTP KDFPSYLAPQ TPHSLRAQQS DATA SEQUENCE VRLMSENDDL TLERFMALQL SHRAVMADRT LPDLIPAALI DPDPEVQAAA DATA SEQUENCE RLLAAWDREF TSDSRAALLF EEWARLFAGQ NFAGQAGFAT PWSLDKPVST DATA SEQUENCE PYGVRDPKAA VDQLRTAIAN TKRKYGAIDR PFGDASRMIL NDVNVPGAAG DATA SEQUENCE YGNLGSFRVF TWSDPDENGV RTPVHGETWV AMIEFSTPVR AYGLMSYGNS DATA SEQUENCE RQPGTTHYSD QIERVSRADF RELLLRREQV EAAVQERTPF NFKP 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 29 D HA 0.000 nan 4.640 nan 0.000 0.175 29 D C 0.000 176.046 176.300 -0.424 0.000 2.045 29 D CA 0.000 53.696 54.000 -0.506 0.000 0.868 29 D CB 0.000 40.338 40.800 -0.770 0.000 0.688 30 Y N 0.369 120.620 120.300 -0.081 0.000 2.373 30 Y HA 0.226 4.776 4.550 -0.000 0.000 0.293 30 Y C 1.563 177.306 175.900 -0.262 0.000 1.129 30 Y CA 0.545 58.486 58.100 -0.267 0.000 1.226 30 Y CB -0.660 37.492 38.460 -0.512 0.000 1.000 30 Y HN -0.037 nan 8.280 nan 0.000 0.549 31 F N -0.409 119.653 119.950 0.186 0.000 2.765 31 F HA 0.136 4.663 4.527 -0.000 0.000 0.302 31 F C 0.789 176.660 175.800 0.120 0.000 1.111 31 F CA -0.160 57.947 58.000 0.177 0.000 1.359 31 F CB -0.325 38.805 39.000 0.216 0.000 1.097 31 F HN -0.262 nan 8.300 nan 0.000 0.577 32 T N 3.281 117.926 114.554 0.153 0.000 2.870 32 T HA 0.291 4.641 4.350 -0.000 0.000 0.300 32 T C 0.190 174.963 174.700 0.121 0.000 0.989 32 T CA 0.013 62.137 62.100 0.039 0.000 1.139 32 T CB 0.546 69.326 68.868 -0.148 0.000 0.920 32 T HN -0.025 nan 8.240 nan 0.000 0.537 33 L N 2.882 124.262 121.223 0.262 0.000 2.375 33 L HA 0.611 4.951 4.340 -0.000 0.000 0.268 33 L C -0.750 176.285 176.870 0.276 0.000 1.058 33 L CA -1.073 53.913 54.840 0.245 0.000 0.803 33 L CB 0.992 43.180 42.059 0.216 0.000 1.212 33 L HN 0.595 nan 8.230 nan 0.000 0.451 34 Y N 1.211 121.500 120.300 -0.018 0.000 2.457 34 Y HA 0.320 4.870 4.550 -0.000 0.000 0.343 34 Y C -0.655 175.118 175.900 -0.211 0.000 0.994 34 Y CA -0.955 57.104 58.100 -0.068 0.000 1.031 34 Y CB 1.794 40.211 38.460 -0.071 0.000 1.246 34 Y HN 0.554 nan 8.280 nan 0.000 0.449 35 E N 4.047 123.842 120.200 -0.676 0.000 2.191 35 E HA 0.806 5.156 4.350 -0.000 0.000 0.278 35 E C -1.534 174.502 176.600 -0.940 0.000 0.972 35 E CA -0.590 55.337 56.400 -0.789 0.000 0.804 35 E CB 1.198 30.554 29.700 -0.573 0.000 1.110 35 E HN 0.833 nan 8.360 nan 0.000 0.394 36 A N 4.017 126.364 122.820 -0.789 0.000 2.599 36 A HA 0.413 4.733 4.320 -0.000 0.000 0.290 36 A C -1.895 175.316 177.584 -0.621 0.000 1.101 36 A CA -0.614 51.062 52.037 -0.602 0.000 0.674 36 A CB 1.568 20.334 19.000 -0.391 0.000 1.277 36 A HN 0.790 nan 8.150 nan 0.000 0.419 37 H N 0.481 119.273 119.070 -0.463 0.000 2.840 37 H HA 0.609 5.164 4.556 -0.000 0.000 0.340 37 H C -2.121 173.151 175.328 -0.094 0.000 1.004 37 H CA -0.606 55.259 56.048 -0.305 0.000 1.288 37 H CB 0.987 30.663 29.762 -0.144 0.000 1.607 37 H HN 0.457 nan 8.280 nan 0.000 0.522 38 L N 5.586 126.747 121.223 -0.103 0.000 2.341 38 L HA 0.434 4.774 4.340 -0.000 0.000 0.278 38 L C -0.801 175.955 176.870 -0.190 0.000 1.005 38 L CA -0.688 54.098 54.840 -0.091 0.000 0.818 38 L CB 1.905 44.058 42.059 0.156 0.000 1.259 38 L HN 0.379 nan 8.230 nan 0.000 0.418 39 V N 1.363 121.106 119.914 -0.284 0.000 2.623 39 V HA 0.779 4.899 4.120 -0.000 0.000 0.304 39 V C -0.080 175.802 176.094 -0.354 0.000 1.054 39 V CA -0.523 61.591 62.300 -0.311 0.000 0.882 39 V CB 1.989 33.653 31.823 -0.266 0.000 1.002 39 V HN 0.878 nan 8.190 nan 0.000 0.424 40 T N 1.787 116.024 114.554 -0.527 0.000 2.858 40 T HA 0.587 4.937 4.350 -0.000 0.000 0.285 40 T C -2.258 172.287 174.700 -0.259 0.000 1.052 40 T CA -1.931 59.920 62.100 -0.415 0.000 1.009 40 T CB 2.068 70.572 68.868 -0.606 0.000 1.241 40 T HN 0.337 nan 8.240 nan 0.000 0.542 41 P HA 0.084 nan 4.420 nan 0.000 0.222 41 P C 0.401 177.681 177.300 -0.033 0.000 1.147 41 P CA 0.882 63.943 63.100 -0.066 0.000 0.790 41 P CB 0.078 31.760 31.700 -0.029 0.000 0.780 42 D N -2.262 118.116 120.400 -0.036 0.000 2.449 42 D HA 0.164 4.804 4.640 -0.000 0.000 0.210 42 D C 0.422 176.838 176.300 0.193 0.000 1.094 42 D CA 0.299 54.352 54.000 0.087 0.000 0.846 42 D CB 0.453 41.353 40.800 0.168 0.000 1.003 42 D HN 0.251 nan 8.370 nan 0.000 0.504 43 F N -0.275 119.714 119.950 0.065 0.000 2.686 43 F HA 0.637 5.164 4.527 -0.000 0.000 0.311 43 F C -1.484 174.352 175.800 0.060 0.000 1.128 43 F CA -1.252 56.781 58.000 0.056 0.000 0.946 43 F CB 1.707 40.735 39.000 0.046 0.000 1.336 43 F HN -0.315 nan 8.300 nan 0.000 0.457 44 E N 2.567 122.978 120.200 0.352 0.000 2.291 44 E HA 0.643 4.993 4.350 -0.000 0.000 0.276 44 E C -1.850 174.936 176.600 0.310 0.000 0.896 44 E CA -0.854 55.698 56.400 0.252 0.000 0.774 44 E CB 2.421 32.224 29.700 0.171 0.000 1.227 44 E HN 0.863 nan 8.360 nan 0.000 0.413 45 I N 1.340 122.095 120.570 0.308 0.000 2.582 45 I HA 0.599 4.768 4.170 -0.000 0.000 0.292 45 I C -1.744 174.469 176.117 0.160 0.000 1.066 45 I CA -1.038 60.380 61.300 0.196 0.000 1.053 45 I CB 1.714 39.822 38.000 0.180 0.000 1.241 45 I HN 0.564 nan 8.210 nan 0.000 0.421 46 Y N 4.503 124.692 120.300 -0.184 0.000 2.425 46 Y HA 0.855 5.405 4.550 -0.000 0.000 0.344 46 Y C 0.176 175.870 175.900 -0.343 0.000 0.969 46 Y CA 0.524 58.415 58.100 -0.347 0.000 1.052 46 Y CB 2.066 40.047 38.460 -0.797 0.000 1.215 46 Y HN 1.113 nan 8.280 nan 0.000 0.451 47 G N 1.936 110.477 108.800 -0.432 0.000 2.332 47 G HA2 0.437 4.397 3.960 -0.000 0.000 0.265 47 G HA3 0.437 4.397 3.960 -0.000 0.000 0.265 47 G C -1.999 172.542 174.900 -0.598 0.000 1.329 47 G CA -0.379 44.571 45.100 -0.250 0.000 0.949 47 G HN 1.019 nan 8.290 nan 0.000 0.476 48 A N -1.147 121.290 122.820 -0.638 0.000 2.337 48 A HA 0.978 5.297 4.320 -0.000 0.000 0.331 48 A C -0.013 177.514 177.584 -0.095 0.000 1.137 48 A CA 0.316 51.976 52.037 -0.628 0.000 0.807 48 A CB 1.991 20.286 19.000 -1.175 0.000 1.250 48 A HN 1.819 nan 8.150 nan 0.000 0.468 49 T N -0.032 114.503 114.554 -0.031 0.000 2.802 49 T HA 0.420 4.770 4.350 -0.000 0.000 0.311 49 T C -1.269 173.483 174.700 0.088 0.000 1.405 49 T CA -0.425 61.719 62.100 0.074 0.000 1.016 49 T CB 1.272 70.129 68.868 -0.018 0.000 1.352 49 T HN 0.696 nan 8.240 nan 0.000 0.498 50 Q N 2.062 121.915 119.800 0.088 0.000 2.337 50 Q HA 0.373 4.713 4.340 -0.000 0.000 0.270 50 Q C 0.390 176.405 176.000 0.025 0.000 1.002 50 Q CA -0.010 55.839 55.803 0.076 0.000 0.888 50 Q CB 0.037 28.814 28.738 0.064 0.000 1.222 50 Q HN 0.615 nan 8.270 nan 0.000 0.400 51 I N -0.976 119.597 120.570 0.004 0.000 2.815 51 I HA 0.239 4.409 4.170 -0.000 0.000 0.291 51 I C 1.153 177.227 176.117 -0.071 0.000 1.209 51 I CA 0.716 61.977 61.300 -0.065 0.000 1.431 51 I CB 0.040 37.968 38.000 -0.119 0.000 1.351 51 I HN 0.766 nan 8.210 nan 0.000 0.585 52 G N 4.793 113.538 108.800 -0.092 0.000 2.241 52 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.244 52 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.244 52 G C 0.128 174.992 174.900 -0.060 0.000 0.998 52 G CA 0.016 45.069 45.100 -0.078 0.000 0.621 52 G HN 0.642 nan 8.290 nan 0.000 0.519 53 L N 2.148 123.342 121.223 -0.048 0.000 2.331 53 L HA 0.357 4.697 4.340 -0.000 0.000 0.278 53 L C -0.556 176.284 176.870 -0.050 0.000 1.106 53 L CA -1.360 53.453 54.840 -0.045 0.000 0.824 53 L CB 1.166 43.195 42.059 -0.050 0.000 1.142 53 L HN 0.040 nan 8.230 nan 0.000 0.443 54 P HA 0.040 nan 4.420 nan 0.000 0.257 54 P C -0.313 176.955 177.300 -0.053 0.000 1.281 54 P CA 0.307 63.367 63.100 -0.066 0.000 0.826 54 P CB 0.303 31.948 31.700 -0.091 0.000 1.237 55 V N -3.114 116.777 119.914 -0.040 0.000 3.040 55 V HA 0.549 4.669 4.120 -0.000 0.000 0.312 55 V C -0.366 175.688 176.094 -0.067 0.000 1.115 55 V CA -1.491 60.804 62.300 -0.008 0.000 0.998 55 V CB 2.415 34.271 31.823 0.055 0.000 1.042 55 V HN -0.246 nan 8.190 nan 0.000 0.433 56 I N 3.162 123.706 120.570 -0.044 0.000 2.301 56 I HA 0.451 4.621 4.170 -0.000 0.000 0.292 56 I C 1.450 177.466 176.117 -0.168 0.000 1.046 56 I CA -0.342 60.910 61.300 -0.080 0.000 1.282 56 I CB 1.151 39.128 38.000 -0.038 0.000 1.409 56 I HN 0.717 nan 8.210 nan 0.000 0.484 57 R N 4.129 124.432 120.500 -0.329 0.000 2.090 57 R HA 0.008 4.348 4.340 -0.000 0.000 0.228 57 R C -0.038 175.959 176.300 -0.504 0.000 1.110 57 R CA 1.250 56.944 56.100 -0.677 0.000 0.973 57 R CB 0.007 29.760 30.300 -0.913 0.000 0.869 57 R HN 0.382 nan 8.270 nan 0.000 0.440 58 F N 0.992 120.921 119.950 -0.035 0.000 2.359 58 F HA 0.409 4.936 4.527 -0.000 0.000 0.355 58 F C 0.144 176.060 175.800 0.194 0.000 1.132 58 F CA -0.746 57.332 58.000 0.130 0.000 1.246 58 F CB 0.894 40.007 39.000 0.188 0.000 1.569 58 F HN -0.054 nan 8.300 nan 0.000 0.561 59 A N 3.392 126.403 122.820 0.318 0.000 2.355 59 A HA 0.927 5.247 4.320 -0.000 0.000 0.324 59 A C -1.033 176.808 177.584 0.429 0.000 1.117 59 A CA -0.554 51.651 52.037 0.280 0.000 0.785 59 A CB 1.309 20.403 19.000 0.156 0.000 1.254 59 A HN 0.586 nan 8.150 nan 0.000 0.453 60 F N 0.509 120.626 119.950 0.279 0.000 2.715 60 F HA 0.875 5.402 4.527 -0.000 0.000 0.318 60 F C -0.601 175.355 175.800 0.260 0.000 1.141 60 F CA -0.826 57.339 58.000 0.276 0.000 0.950 60 F CB 1.327 40.495 39.000 0.281 0.000 1.374 60 F HN 0.742 nan 8.300 nan 0.000 0.477 61 N N -1.415 117.513 118.700 0.381 0.000 3.526 61 N HA 0.184 4.924 4.740 -0.000 0.000 0.328 61 N C -0.252 175.472 175.510 0.356 0.000 1.601 61 N CA -0.641 52.547 53.050 0.229 0.000 0.834 61 N CB 0.166 38.760 38.487 0.178 0.000 1.983 61 N HN 0.536 nan 8.380 nan 0.000 0.579 62 Q N -0.497 119.448 119.800 0.242 0.000 2.291 62 Q HA 0.024 4.364 4.340 -0.000 0.000 0.205 62 Q C 1.257 177.422 176.000 0.275 0.000 0.970 62 Q CA 1.113 57.050 55.803 0.224 0.000 0.876 62 Q CB 0.052 28.877 28.738 0.144 0.000 0.935 62 Q HN 0.592 nan 8.270 nan 0.000 0.455 63 R N -0.509 120.135 120.500 0.241 0.000 2.123 63 R HA 0.147 4.487 4.340 -0.000 0.000 0.209 63 R C 0.730 177.017 176.300 -0.022 0.000 1.078 63 R CA 0.606 56.788 56.100 0.137 0.000 1.028 63 R CB 0.501 30.856 30.300 0.090 0.000 0.939 63 R HN 0.241 nan 8.270 nan 0.000 0.463 64 M N -3.065 116.544 119.600 0.015 0.000 2.880 64 M HA 0.632 5.111 4.480 -0.000 0.000 0.269 64 M C -0.972 175.324 176.300 -0.006 0.000 1.248 64 M CA -0.978 54.067 55.300 -0.426 0.000 0.821 64 M CB 2.312 34.673 32.600 -0.397 0.000 1.650 64 M HN -0.034 nan 8.290 nan 0.000 0.479 65 G N 0.596 109.268 108.800 -0.213 0.000 2.673 65 G HA2 0.715 4.674 3.960 -0.000 0.000 0.292 65 G HA3 0.715 4.674 3.960 -0.000 0.000 0.292 65 G C -1.903 172.995 174.900 -0.004 0.000 1.450 65 G CA -0.864 44.346 45.100 0.182 0.000 0.837 65 G HN 1.313 nan 8.290 nan 0.000 0.505 66 I N -1.979 118.694 120.570 0.172 0.000 3.042 66 I HA 0.949 5.119 4.170 -0.000 0.000 0.310 66 I C -0.512 175.762 176.117 0.261 0.000 1.117 66 I CA -0.921 60.492 61.300 0.187 0.000 1.003 66 I CB 2.495 40.638 38.000 0.239 0.000 1.228 66 I HN 0.647 nan 8.210 nan 0.000 0.443 67 T N 1.121 115.825 114.554 0.249 0.000 2.812 67 T HA 0.515 4.864 4.350 -0.000 0.000 0.294 67 T C -1.425 173.371 174.700 0.159 0.000 1.159 67 T CA -0.759 61.511 62.100 0.284 0.000 1.008 67 T CB 1.745 70.860 68.868 0.411 0.000 1.289 67 T HN 0.835 nan 8.240 nan 0.000 0.514 68 N N 1.122 119.895 118.700 0.122 0.000 2.229 68 N HA 0.588 5.328 4.740 -0.000 0.000 0.298 68 N C -1.186 174.455 175.510 0.219 0.000 1.114 68 N CA -0.632 52.438 53.050 0.033 0.000 0.776 68 N CB 2.373 40.608 38.487 -0.421 0.000 1.501 68 N HN 0.825 nan 8.380 nan 0.000 0.474 69 T N -2.929 111.748 114.554 0.205 0.000 2.906 69 T HA 0.384 4.733 4.350 -0.000 0.000 0.295 69 T C -0.261 174.610 174.700 0.285 0.000 1.075 69 T CA -0.644 61.593 62.100 0.228 0.000 1.005 69 T CB 1.171 70.161 68.868 0.202 0.000 1.136 69 T HN 0.084 nan 8.240 nan 0.000 0.498 70 V N 3.693 123.776 119.914 0.282 0.000 2.529 70 V HA 0.166 4.286 4.120 -0.000 0.000 0.292 70 V C 1.178 177.361 176.094 0.148 0.000 1.028 70 V CA 0.080 62.550 62.300 0.285 0.000 1.074 70 V CB 0.175 32.140 31.823 0.236 0.000 0.958 70 V HN 1.045 nan 8.190 nan 0.000 0.481 71 N N 3.348 122.075 118.700 0.046 0.000 2.220 71 N HA 0.133 4.873 4.740 -0.000 0.000 0.195 71 N C 1.213 176.702 175.510 -0.035 0.000 1.123 71 N CA 0.566 53.588 53.050 -0.046 0.000 0.874 71 N CB 0.555 38.816 38.487 -0.376 0.000 0.995 71 N HN 0.882 nan 8.380 nan 0.000 0.498 72 G N 1.074 109.846 108.800 -0.047 0.000 2.203 72 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.263 72 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.263 72 G C 0.062 174.939 174.900 -0.038 0.000 1.012 72 G CA 0.490 45.575 45.100 -0.026 0.000 0.749 72 G HN 0.580 nan 8.290 nan 0.000 0.512 73 M N 0.532 120.046 119.600 -0.144 0.000 2.301 73 M HA 0.227 4.707 4.480 -0.000 0.000 0.404 73 M C 0.648 176.911 176.300 -0.062 0.000 1.497 73 M CA 0.464 55.694 55.300 -0.117 0.000 0.867 73 M CB 0.501 32.945 32.600 -0.260 0.000 2.037 73 M HN 0.244 nan 8.290 nan 0.000 0.496 74 V N 7.494 127.411 119.914 0.006 0.000 2.287 74 V HA 0.240 4.360 4.120 -0.000 0.000 0.246 74 V C 1.371 177.409 176.094 -0.095 0.000 1.165 74 V CA 0.581 62.875 62.300 -0.011 0.000 1.088 74 V CB -0.811 31.044 31.823 0.054 0.000 1.242 74 V HN 1.082 nan 8.190 nan 0.000 0.497 75 G N 2.757 111.497 108.800 -0.099 0.000 3.088 75 G HA2 0.499 4.459 3.960 -0.000 0.000 0.217 75 G HA3 0.499 4.459 3.960 -0.000 0.000 0.217 75 G C 0.442 175.304 174.900 -0.063 0.000 1.159 75 G CA 0.712 45.731 45.100 -0.135 0.000 0.760 75 G HN 0.787 nan 8.290 nan 0.000 0.550 76 A N -0.786 122.039 122.820 0.009 0.000 2.469 76 A HA 0.831 5.151 4.320 -0.000 0.000 0.299 76 A C -0.730 176.958 177.584 0.173 0.000 1.098 76 A CA -0.425 51.702 52.037 0.151 0.000 0.737 76 A CB 1.602 20.665 19.000 0.105 0.000 1.312 76 A HN 0.016 nan 8.150 nan 0.000 0.414 77 T N 1.340 116.066 114.554 0.287 0.000 2.861 77 T HA 0.459 4.809 4.350 -0.000 0.000 0.287 77 T C -0.648 174.025 174.700 -0.045 0.000 1.003 77 T CA -0.365 61.805 62.100 0.116 0.000 0.977 77 T CB 0.961 69.954 68.868 0.208 0.000 0.996 77 T HN 0.636 nan 8.240 nan 0.000 0.448 78 N N 1.517 120.110 118.700 -0.179 0.000 2.424 78 N HA 0.448 5.187 4.740 -0.000 0.000 0.271 78 N C -1.471 173.860 175.510 -0.298 0.000 0.985 78 N CA -0.527 52.441 53.050 -0.138 0.000 0.921 78 N CB 1.031 39.459 38.487 -0.097 0.000 1.149 78 N HN 0.496 nan 8.380 nan 0.000 0.492 79 Y N 0.791 121.014 120.300 -0.128 0.000 2.330 79 Y HA 0.308 4.858 4.550 -0.000 0.000 0.336 79 Y C 0.601 176.408 175.900 -0.155 0.000 1.036 79 Y CA -0.871 57.096 58.100 -0.222 0.000 1.125 79 Y CB 1.029 39.178 38.460 -0.518 0.000 1.194 79 Y HN 0.266 nan 8.280 nan 0.000 0.469 80 R N 4.709 125.216 120.500 0.013 0.000 2.296 80 R HA 0.323 4.663 4.340 -0.000 0.000 0.323 80 R C -1.216 175.134 176.300 0.083 0.000 1.067 80 R CA -0.178 55.939 56.100 0.029 0.000 0.946 80 R CB 0.006 30.303 30.300 -0.005 0.000 0.991 80 R HN 0.761 nan 8.270 nan 0.000 0.448 81 L N 3.354 124.637 121.223 0.100 0.000 2.375 81 L HA 0.285 4.625 4.340 -0.000 0.000 0.271 81 L C 0.334 177.303 176.870 0.166 0.000 1.107 81 L CA -0.471 54.465 54.840 0.160 0.000 0.806 81 L CB 1.713 43.873 42.059 0.169 0.000 1.146 81 L HN 0.573 nan 8.230 nan 0.000 0.447 82 T N 3.755 118.430 114.554 0.203 0.000 2.762 82 T HA 0.349 4.699 4.350 -0.000 0.000 0.303 82 T C -0.092 174.726 174.700 0.197 0.000 0.977 82 T CA -0.583 61.618 62.100 0.168 0.000 0.961 82 T CB 0.396 69.350 68.868 0.143 0.000 0.944 82 T HN 0.082 nan 8.240 nan 0.000 0.481 83 L N 3.777 125.109 121.223 0.182 0.000 2.410 83 L HA 0.407 4.746 4.340 -0.000 0.000 0.273 83 L C 0.414 177.361 176.870 0.128 0.000 1.152 83 L CA 0.408 55.366 54.840 0.196 0.000 0.855 83 L CB 0.302 42.474 42.059 0.188 0.000 1.129 83 L HN 0.661 nan 8.230 nan 0.000 0.463 84 Q N 2.320 122.184 119.800 0.105 0.000 2.313 84 Q HA 0.202 4.542 4.340 -0.000 0.000 0.255 84 Q C -1.314 174.709 176.000 0.038 0.000 0.944 84 Q CA -0.560 55.277 55.803 0.058 0.000 0.881 84 Q CB 1.412 30.170 28.738 0.034 0.000 1.375 84 Q HN 0.682 nan 8.270 nan 0.000 0.422 85 D N 2.858 123.281 120.400 0.039 0.000 2.697 85 D HA -0.213 4.427 4.640 -0.000 0.000 0.238 85 D C 0.729 177.052 176.300 0.039 0.000 1.152 85 D CA 1.777 55.794 54.000 0.027 0.000 0.666 85 D CB -1.250 39.552 40.800 0.003 0.000 1.037 85 D HN 1.117 nan 8.370 nan 0.000 0.423 86 G N -1.578 107.271 108.800 0.082 0.000 2.196 86 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.268 86 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.268 86 G C 0.728 175.734 174.900 0.175 0.000 0.975 86 G CA 0.944 46.121 45.100 0.128 0.000 0.648 86 G HN 1.000 nan 8.290 nan 0.000 0.538 87 G N -0.966 107.871 108.800 0.062 0.000 3.212 87 G HA2 0.853 4.813 3.960 -0.000 0.000 0.188 87 G HA3 0.853 4.813 3.960 -0.000 0.000 0.188 87 G C -0.690 174.145 174.900 -0.108 0.000 1.254 87 G CA -0.283 44.724 45.100 -0.156 0.000 0.957 87 G HN 1.269 nan 8.290 nan 0.000 0.596 88 Y N -1.759 118.299 120.300 -0.402 0.000 2.524 88 Y HA 0.754 5.304 4.550 -0.000 0.000 0.347 88 Y C -0.970 174.884 175.900 -0.078 0.000 1.005 88 Y CA -1.799 56.190 58.100 -0.185 0.000 1.025 88 Y CB 1.490 39.826 38.460 -0.206 0.000 1.275 88 Y HN 0.470 nan 8.280 nan 0.000 0.460 89 L N 4.022 125.289 121.223 0.073 0.000 2.367 89 L HA 0.434 4.774 4.340 -0.000 0.000 0.275 89 L C -1.466 175.507 176.870 0.171 0.000 1.129 89 L CA -0.115 54.752 54.840 0.044 0.000 0.839 89 L CB 0.164 42.265 42.059 0.071 0.000 1.133 89 L HN 0.752 nan 8.230 nan 0.000 0.453 90 Y N 4.219 124.466 120.300 -0.089 0.000 2.313 90 Y HA 0.238 4.788 4.550 -0.000 0.000 0.320 90 Y C -0.365 175.500 175.900 -0.057 0.000 1.171 90 Y CA -1.056 57.020 58.100 -0.040 0.000 1.093 90 Y CB 0.799 39.191 38.460 -0.113 0.000 1.224 90 Y HN 0.781 nan 8.280 nan 0.000 0.421 91 D N 4.498 124.701 120.400 -0.329 0.000 2.689 91 D HA -0.174 4.465 4.640 -0.000 0.000 0.237 91 D C 1.214 177.453 176.300 -0.102 0.000 1.148 91 D CA 2.365 56.221 54.000 -0.241 0.000 0.656 91 D CB -1.064 39.567 40.800 -0.282 0.000 1.050 91 D HN 1.356 nan 8.370 nan 0.000 0.426 92 G N -1.189 107.571 108.800 -0.065 0.000 2.179 92 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.260 92 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.260 92 G C 0.110 174.989 174.900 -0.036 0.000 0.977 92 G CA 0.535 45.611 45.100 -0.039 0.000 0.641 92 G HN 0.474 nan 8.290 nan 0.000 0.533 93 Q N -0.193 119.581 119.800 -0.042 0.000 2.377 93 Q HA 0.603 4.943 4.340 -0.000 0.000 0.271 93 Q C -0.218 175.722 176.000 -0.100 0.000 1.077 93 Q CA -0.857 54.910 55.803 -0.060 0.000 0.820 93 Q CB 2.820 31.522 28.738 -0.060 0.000 1.347 93 Q HN 0.180 nan 8.270 nan 0.000 0.444 94 V N 2.221 122.065 119.914 -0.116 0.000 2.508 94 V HA 0.195 4.315 4.120 -0.000 0.000 0.281 94 V C 0.262 176.197 176.094 -0.266 0.000 1.041 94 V CA 0.130 62.322 62.300 -0.181 0.000 1.016 94 V CB 0.569 32.320 31.823 -0.120 0.000 0.984 94 V HN 0.557 nan 8.190 nan 0.000 0.478 95 R N 7.189 127.396 120.500 -0.489 0.000 2.480 95 R HA 0.512 4.852 4.340 -0.000 0.000 0.306 95 R C -2.772 173.137 176.300 -0.652 0.000 0.958 95 R CA -1.794 53.946 56.100 -0.600 0.000 0.861 95 R CB 2.335 32.102 30.300 -0.889 0.000 1.171 95 R HN 0.453 nan 8.270 nan 0.000 0.445 96 P HA 0.125 nan 4.420 nan 0.000 0.277 96 P C -0.880 176.344 177.300 -0.127 0.000 1.240 96 P CA -0.105 62.868 63.100 -0.211 0.000 0.798 96 P CB 0.560 32.211 31.700 -0.082 0.000 0.979 97 F N 0.144 120.170 119.950 0.126 0.000 2.429 97 F HA 0.111 4.637 4.527 -0.000 0.000 0.348 97 F C 1.701 177.521 175.800 0.032 0.000 1.109 97 F CA -0.155 57.915 58.000 0.117 0.000 1.232 97 F CB 0.363 39.400 39.000 0.062 0.000 1.157 97 F HN 0.225 nan 8.300 nan 0.000 0.564 98 E N 4.323 124.648 120.200 0.208 0.000 2.415 98 E HA 0.027 4.377 4.350 -0.000 0.000 0.260 98 E C -0.423 176.230 176.600 0.088 0.000 1.016 98 E CA 0.238 56.699 56.400 0.101 0.000 0.924 98 E CB 0.360 30.089 29.700 0.049 0.000 0.961 98 E HN 0.532 nan 8.360 nan 0.000 0.459 99 R N 3.912 124.443 120.500 0.052 0.000 2.561 99 R HA 0.484 4.824 4.340 -0.000 0.000 0.297 99 R C -0.165 176.131 176.300 -0.007 0.000 0.969 99 R CA -0.796 55.309 56.100 0.010 0.000 0.879 99 R CB 2.055 32.367 30.300 0.020 0.000 1.178 99 R HN 0.466 nan 8.270 nan 0.000 0.445 100 R N 0.864 121.348 120.500 -0.026 0.000 2.686 100 R HA 0.326 4.666 4.340 -0.000 0.000 0.283 100 R C -0.904 175.381 176.300 -0.025 0.000 0.978 100 R CA -1.177 54.911 56.100 -0.020 0.000 0.897 100 R CB 1.600 31.890 30.300 -0.017 0.000 1.192 100 R HN 0.265 nan 8.270 nan 0.000 0.457 101 Q N 1.685 121.474 119.800 -0.017 0.000 2.377 101 Q HA 0.426 4.766 4.340 -0.000 0.000 0.249 101 Q C -0.452 175.543 176.000 -0.008 0.000 1.005 101 Q CA -0.240 55.553 55.803 -0.016 0.000 0.912 101 Q CB 1.526 30.255 28.738 -0.015 0.000 1.223 101 Q HN 0.740 nan 8.270 nan 0.000 0.459 102 A N 2.232 125.052 122.820 -0.000 0.000 2.352 102 A HA 0.878 5.198 4.320 -0.000 0.000 0.299 102 A C -0.156 177.442 177.584 0.024 0.000 1.160 102 A CA -0.296 51.752 52.037 0.018 0.000 0.933 102 A CB 1.212 20.231 19.000 0.032 0.000 1.387 102 A HN 0.754 nan 8.150 nan 0.000 0.487 103 S N -1.773 113.954 115.700 0.045 0.000 2.588 103 S HA 0.745 5.215 4.470 -0.000 0.000 0.269 103 S C -1.078 173.590 174.600 0.113 0.000 1.157 103 S CA -0.454 57.757 58.200 0.019 0.000 0.824 103 S CB 0.876 64.042 63.200 -0.056 0.000 1.126 103 S HN 1.769 nan 8.310 nan 0.000 0.464 104 Y N -0.850 119.445 120.300 -0.008 0.000 2.609 104 Y HA 0.884 5.434 4.550 -0.000 0.000 0.342 104 Y C -0.658 175.239 175.900 -0.004 0.000 1.058 104 Y CA -1.445 56.652 58.100 -0.005 0.000 1.055 104 Y CB 0.883 39.342 38.460 -0.002 0.000 1.292 104 Y HN 0.721 nan 8.280 nan 0.000 0.476 105 R N 1.449 122.011 120.500 0.104 0.000 2.404 105 R HA 0.600 4.940 4.340 -0.000 0.000 0.291 105 R C -1.604 174.771 176.300 0.125 0.000 1.025 105 R CA -0.751 55.365 56.100 0.026 0.000 0.991 105 R CB 1.387 31.705 30.300 0.029 0.000 1.053 105 R HN 0.711 nan 8.270 nan 0.000 0.479 106 L N 2.058 123.308 121.223 0.046 0.000 2.349 106 L HA 0.443 4.783 4.340 -0.000 0.000 0.278 106 L C -0.477 176.420 176.870 0.044 0.000 0.996 106 L CA -0.543 54.352 54.840 0.092 0.000 0.825 106 L CB 1.440 43.547 42.059 0.080 0.000 1.243 106 L HN 0.527 nan 8.230 nan 0.000 0.412 107 R N 3.686 124.215 120.500 0.048 0.000 2.489 107 R HA 0.241 4.581 4.340 -0.000 0.000 0.287 107 R C -0.540 175.772 176.300 0.021 0.000 1.053 107 R CA -0.242 55.874 56.100 0.028 0.000 1.036 107 R CB 0.524 30.839 30.300 0.025 0.000 0.966 107 R HN 0.620 nan 8.270 nan 0.000 0.432 108 Q N 2.496 122.303 119.800 0.012 0.000 2.212 108 Q HA 0.188 4.528 4.340 -0.000 0.000 0.238 108 Q C 0.912 176.916 176.000 0.007 0.000 0.955 108 Q CA 0.255 56.063 55.803 0.008 0.000 0.906 108 Q CB 1.439 30.178 28.738 0.002 0.000 1.215 108 Q HN 0.834 nan 8.270 nan 0.000 0.478 109 A N 1.611 124.434 122.820 0.006 0.000 1.986 109 A HA -0.231 4.089 4.320 -0.000 0.000 0.220 109 A C 0.984 178.569 177.584 0.002 0.000 1.171 109 A CA 2.275 54.315 52.037 0.004 0.000 0.640 109 A CB -0.596 18.405 19.000 0.003 0.000 0.811 109 A HN 0.817 nan 8.150 nan 0.000 0.451 110 D N -2.995 117.405 120.400 0.001 0.000 2.325 110 D HA 0.369 5.009 4.640 -0.000 0.000 0.234 110 D C 1.074 177.374 176.300 -0.001 0.000 1.122 110 D CA 0.754 54.753 54.000 -0.001 0.000 0.850 110 D CB -0.321 40.478 40.800 -0.002 0.000 0.921 110 D HN 0.594 nan 8.370 nan 0.000 0.513 111 G N 0.070 108.870 108.800 0.001 0.000 2.245 111 G HA2 -0.346 3.613 3.960 -0.000 0.000 0.264 111 G HA3 -0.346 3.613 3.960 -0.000 0.000 0.264 111 G C 0.708 175.608 174.900 0.001 0.000 0.985 111 G CA 0.772 45.873 45.100 0.001 0.000 0.625 111 G HN 0.775 nan 8.290 nan 0.000 0.536 112 T N -0.985 113.569 114.554 -0.000 0.000 2.788 112 T HA 0.627 4.977 4.350 -0.000 0.000 0.280 112 T C 0.442 175.142 174.700 0.000 0.000 0.984 112 T CA 0.786 62.885 62.100 -0.001 0.000 0.972 112 T CB 1.766 70.631 68.868 -0.004 0.000 1.039 112 T HN 1.462 nan 8.240 nan 0.000 0.530 113 T N -1.714 112.839 114.554 -0.002 0.000 2.907 113 T HA 0.668 5.018 4.350 -0.000 0.000 0.292 113 T C -0.270 174.421 174.700 -0.015 0.000 1.043 113 T CA -0.645 61.453 62.100 -0.003 0.000 1.003 113 T CB 1.298 70.168 68.868 0.004 0.000 1.084 113 T HN 1.234 nan 8.240 nan 0.000 0.483 114 V N -0.619 119.279 119.914 -0.027 0.000 2.815 114 V HA 0.675 4.795 4.120 -0.000 0.000 0.314 114 V C -0.706 175.339 176.094 -0.081 0.000 1.064 114 V CA -1.003 61.269 62.300 -0.047 0.000 0.952 114 V CB 1.736 33.531 31.823 -0.047 0.000 1.020 114 V HN 0.936 nan 8.190 nan 0.000 0.439 115 D N 2.488 122.834 120.400 -0.090 0.000 2.317 115 D HA 0.329 4.969 4.640 -0.000 0.000 0.252 115 D C -0.357 175.828 176.300 -0.191 0.000 1.174 115 D CA 0.136 54.059 54.000 -0.129 0.000 0.866 115 D CB 0.954 41.702 40.800 -0.086 0.000 1.127 115 D HN 0.625 nan 8.370 nan 0.000 0.467 116 K N 4.912 125.104 120.400 -0.347 0.000 2.274 116 K HA 0.371 4.691 4.320 -0.000 0.000 0.262 116 K C -2.298 174.075 176.600 -0.377 0.000 0.961 116 K CA -1.782 54.255 56.287 -0.416 0.000 0.833 116 K CB 2.076 34.180 32.500 -0.661 0.000 1.102 116 K HN 0.312 nan 8.250 nan 0.000 0.436 117 P HA 0.104 nan 4.420 nan 0.000 0.275 117 P C -1.120 176.144 177.300 -0.059 0.000 1.228 117 P CA -0.549 62.485 63.100 -0.110 0.000 0.786 117 P CB 0.790 32.448 31.700 -0.070 0.000 0.927 118 L N 1.498 122.724 121.223 0.006 0.000 2.491 118 L HA 0.393 4.732 4.340 -0.000 0.000 0.267 118 L C -0.381 176.496 176.870 0.012 0.000 0.971 118 L CA -0.696 54.184 54.840 0.067 0.000 0.857 118 L CB 1.620 43.807 42.059 0.212 0.000 1.226 118 L HN 0.328 nan 8.230 nan 0.000 0.408 119 E N 4.691 124.877 120.200 -0.023 0.000 2.289 119 E HA 0.410 4.759 4.350 -0.000 0.000 0.278 119 E C -0.985 175.556 176.600 -0.098 0.000 1.032 119 E CA -0.226 56.139 56.400 -0.058 0.000 0.854 119 E CB 0.784 30.440 29.700 -0.074 0.000 1.046 119 E HN 0.670 nan 8.360 nan 0.000 0.409 120 I N 5.485 125.995 120.570 -0.101 0.000 2.371 120 I HA 0.297 4.467 4.170 -0.000 0.000 0.282 120 I C 0.282 176.307 176.117 -0.153 0.000 1.031 120 I CA -0.427 60.786 61.300 -0.145 0.000 1.180 120 I CB 0.923 38.861 38.000 -0.103 0.000 1.336 120 I HN 0.385 nan 8.210 nan 0.000 0.467 121 R N 3.357 123.717 120.500 -0.234 0.000 2.457 121 R HA 0.664 5.004 4.340 -0.000 0.000 0.284 121 R C -0.477 175.691 176.300 -0.220 0.000 1.024 121 R CA -0.324 55.619 56.100 -0.262 0.000 1.025 121 R CB 1.831 31.823 30.300 -0.513 0.000 1.063 121 R HN 0.475 nan 8.270 nan 0.000 0.493 122 S N 0.339 115.999 115.700 -0.067 0.000 2.546 122 S HA 0.351 4.821 4.470 -0.000 0.000 0.272 122 S C -0.978 173.707 174.600 0.142 0.000 1.140 122 S CA -0.642 57.554 58.200 -0.006 0.000 0.920 122 S CB 1.428 64.612 63.200 -0.026 0.000 1.083 122 S HN 0.676 nan 8.310 nan 0.000 0.476 123 S N 1.767 117.475 115.700 0.012 0.000 2.767 123 S HA 0.519 4.989 4.470 -0.000 0.000 0.300 123 S C 1.626 176.093 174.600 -0.223 0.000 1.123 123 S CA -0.117 57.961 58.200 -0.203 0.000 0.992 123 S CB 0.485 63.318 63.200 -0.612 0.000 1.138 123 S HN 1.228 nan 8.310 nan 0.000 0.550 124 V N -0.849 118.836 119.914 -0.381 0.000 2.568 124 V HA -0.168 3.952 4.120 -0.000 0.000 0.253 124 V C 2.002 177.844 176.094 -0.420 0.000 1.072 124 V CA 2.092 64.137 62.300 -0.426 0.000 1.084 124 V CB -2.061 29.403 31.823 -0.599 0.000 0.676 124 V HN 0.925 nan 8.190 nan 0.000 0.469 125 H N 1.510 120.380 119.070 -0.333 0.000 2.326 125 H HA 0.475 5.030 4.556 -0.000 0.000 0.301 125 H C 1.346 176.566 175.328 -0.181 0.000 1.081 125 H CA 1.233 57.071 56.048 -0.350 0.000 1.334 125 H CB -0.188 29.295 29.762 -0.465 0.000 1.385 125 H HN 0.771 nan 8.280 nan 0.000 0.504 126 G N -1.258 107.550 108.800 0.014 0.000 2.345 126 G HA2 0.115 4.075 3.960 -0.000 0.000 0.285 126 G HA3 0.115 4.075 3.960 -0.000 0.000 0.285 126 G C -2.890 172.018 174.900 0.014 0.000 1.297 126 G CA -1.134 43.979 45.100 0.021 0.000 0.875 126 G HN -0.119 nan 8.290 nan 0.000 0.506 127 P HA 0.401 nan 4.420 nan 0.000 0.266 127 P C -0.205 177.023 177.300 -0.120 0.000 1.195 127 P CA -0.146 62.900 63.100 -0.090 0.000 0.768 127 P CB 1.073 32.718 31.700 -0.090 0.000 0.838 128 V N 4.092 123.825 119.914 -0.300 0.000 2.435 128 V HA 0.432 4.552 4.120 -0.000 0.000 0.290 128 V C -0.096 175.717 176.094 -0.469 0.000 1.030 128 V CA -0.183 61.967 62.300 -0.250 0.000 0.881 128 V CB 0.419 32.066 31.823 -0.294 0.000 0.983 128 V HN 0.342 nan 8.190 nan 0.000 0.445 129 F N 1.660 121.568 119.950 -0.070 0.000 2.546 129 F HA 0.527 5.054 4.527 -0.000 0.000 0.320 129 F C 0.282 176.049 175.800 -0.055 0.000 1.076 129 F CA -0.732 57.232 58.000 -0.060 0.000 0.928 129 F CB 1.846 40.822 39.000 -0.042 0.000 1.189 129 F HN 0.426 nan 8.300 nan 0.000 0.465 130 E N 3.056 123.331 120.200 0.124 0.000 2.113 130 E HA 0.336 4.686 4.350 -0.000 0.000 0.273 130 E C -0.497 176.146 176.600 0.073 0.000 0.924 130 E CA -0.684 55.755 56.400 0.066 0.000 0.764 130 E CB 0.853 30.563 29.700 0.017 0.000 1.104 130 E HN 0.561 nan 8.360 nan 0.000 0.406 131 R N 1.950 122.481 120.500 0.052 0.000 2.774 131 R HA 0.131 4.471 4.340 -0.000 0.000 0.269 131 R C 1.119 177.431 176.300 0.021 0.000 1.068 131 R CA 0.388 56.505 56.100 0.028 0.000 1.180 131 R CB 0.460 30.767 30.300 0.011 0.000 1.077 131 R HN 0.641 nan 8.270 nan 0.000 0.513 132 A N 1.672 124.499 122.820 0.012 0.000 2.024 132 A HA -0.210 4.110 4.320 -0.000 0.000 0.220 132 A C 1.334 178.923 177.584 0.008 0.000 1.164 132 A CA 2.029 54.072 52.037 0.010 0.000 0.643 132 A CB -0.503 18.499 19.000 0.004 0.000 0.806 132 A HN 0.863 nan 8.150 nan 0.000 0.451 133 D N -2.664 117.739 120.400 0.007 0.000 2.340 133 D HA 0.301 4.941 4.640 -0.000 0.000 0.220 133 D C 1.126 177.432 176.300 0.011 0.000 1.039 133 D CA 0.957 54.961 54.000 0.006 0.000 0.866 133 D CB -0.413 40.388 40.800 0.002 0.000 0.913 133 D HN 0.757 nan 8.370 nan 0.000 0.523 134 G N -0.676 108.133 108.800 0.016 0.000 2.194 134 G HA2 -0.250 3.709 3.960 -0.000 0.000 0.236 134 G HA3 -0.250 3.709 3.960 -0.000 0.000 0.236 134 G C 0.378 175.294 174.900 0.027 0.000 0.987 134 G CA 0.139 45.251 45.100 0.021 0.000 0.635 134 G HN 0.428 nan 8.290 nan 0.000 0.520 135 T N 1.861 116.429 114.554 0.024 0.000 2.853 135 T HA 0.522 4.872 4.350 -0.000 0.000 0.298 135 T C 0.647 175.371 174.700 0.040 0.000 0.978 135 T CA 0.711 62.828 62.100 0.029 0.000 1.152 135 T CB 1.453 70.331 68.868 0.016 0.000 0.914 135 T HN 1.344 nan 8.240 nan 0.000 0.539 136 A N 4.023 126.874 122.820 0.052 0.000 2.276 136 A HA 0.588 4.908 4.320 -0.000 0.000 0.300 136 A C -0.174 177.450 177.584 0.066 0.000 1.235 136 A CA -0.564 51.507 52.037 0.057 0.000 0.867 136 A CB 0.328 19.373 19.000 0.076 0.000 1.137 136 A HN 0.689 nan 8.150 nan 0.000 0.527 137 V N 2.267 122.228 119.914 0.078 0.000 2.487 137 V HA 0.651 4.771 4.120 -0.000 0.000 0.298 137 V C 0.367 176.540 176.094 0.132 0.000 1.028 137 V CA -0.373 61.980 62.300 0.088 0.000 0.860 137 V CB 1.585 33.451 31.823 0.071 0.000 0.991 137 V HN 1.123 nan 8.190 nan 0.000 0.427 138 A N 4.291 127.180 122.820 0.115 0.000 2.276 138 A HA 0.775 5.094 4.320 -0.000 0.000 0.316 138 A C -0.605 177.107 177.584 0.214 0.000 1.229 138 A CA -0.517 51.605 52.037 0.142 0.000 0.851 138 A CB 1.496 20.549 19.000 0.088 0.000 1.165 138 A HN 0.871 nan 8.150 nan 0.000 0.513 139 V N 3.805 123.862 119.914 0.238 0.000 2.427 139 V HA 0.643 4.763 4.120 -0.000 0.000 0.286 139 V C 0.036 176.262 176.094 0.220 0.000 1.034 139 V CA -0.692 61.739 62.300 0.218 0.000 0.893 139 V CB 1.280 33.203 31.823 0.167 0.000 0.982 139 V HN 0.913 nan 8.190 nan 0.000 0.452 140 R N 5.274 125.930 120.500 0.260 0.000 2.388 140 R HA 0.668 5.008 4.340 -0.000 0.000 0.314 140 R C -1.915 174.588 176.300 0.339 0.000 0.959 140 R CA -0.453 55.786 56.100 0.232 0.000 0.851 140 R CB 1.782 32.197 30.300 0.193 0.000 1.168 140 R HN 0.599 nan 8.270 nan 0.000 0.472 141 V N 3.925 124.000 119.914 0.268 0.000 2.417 141 V HA 0.534 4.654 4.120 -0.000 0.000 0.291 141 V C 0.402 176.694 176.094 0.330 0.000 1.024 141 V CA -0.807 61.651 62.300 0.264 0.000 0.861 141 V CB 1.401 33.308 31.823 0.139 0.000 0.985 141 V HN 0.931 nan 8.190 nan 0.000 0.436 142 A N 3.344 126.373 122.820 0.349 0.000 2.332 142 A HA 0.651 4.971 4.320 -0.000 0.000 0.258 142 A C 1.368 179.017 177.584 0.109 0.000 1.087 142 A CA 0.406 52.602 52.037 0.265 0.000 0.802 142 A CB 0.115 19.112 19.000 -0.005 0.000 1.042 142 A HN 2.211 nan 8.150 nan 0.000 0.489 143 G N -0.343 108.510 108.800 0.089 0.000 2.143 143 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.248 143 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.248 143 G C 0.558 175.481 174.900 0.037 0.000 0.991 143 G CA 0.484 45.606 45.100 0.036 0.000 0.689 143 G HN 0.796 nan 8.290 nan 0.000 0.522 144 L N 0.603 121.861 121.223 0.058 0.000 2.450 144 L HA 0.058 4.398 4.340 -0.000 0.000 0.224 144 L C 1.936 178.825 176.870 0.030 0.000 1.149 144 L CA 1.447 56.313 54.840 0.043 0.000 0.816 144 L CB -0.185 41.905 42.059 0.051 0.000 0.932 144 L HN 0.487 nan 8.230 nan 0.000 0.449 145 D N -0.746 119.672 120.400 0.030 0.000 2.491 145 D HA -0.011 4.629 4.640 -0.000 0.000 0.228 145 D C 0.366 176.673 176.300 0.012 0.000 1.183 145 D CA -0.200 53.812 54.000 0.020 0.000 0.827 145 D CB 0.217 41.031 40.800 0.023 0.000 0.989 145 D HN 0.051 nan 8.370 nan 0.000 0.494 146 R N 1.696 122.201 120.500 0.009 0.000 2.664 146 R HA 0.249 4.589 4.340 -0.000 0.000 0.281 146 R C -1.881 174.420 176.300 0.002 0.000 1.383 146 R CA -1.352 54.748 56.100 0.000 0.000 1.563 146 R CB 0.907 31.202 30.300 -0.008 0.000 1.131 146 R HN 0.118 nan 8.270 nan 0.000 0.599 147 P HA -0.016 nan 4.420 nan 0.000 0.233 147 P C 0.808 178.113 177.300 0.009 0.000 1.167 147 P CA 0.645 63.749 63.100 0.007 0.000 0.770 147 P CB 0.405 32.108 31.700 0.005 0.000 0.837 148 G N -0.139 108.665 108.800 0.005 0.000 3.518 148 G HA2 0.036 3.996 3.960 -0.000 0.000 0.273 148 G HA3 0.036 3.996 3.960 -0.000 0.000 0.273 148 G C 1.084 175.995 174.900 0.018 0.000 1.199 148 G CA -0.212 44.894 45.100 0.010 0.000 0.899 148 G HN 0.034 nan 8.290 nan 0.000 0.533 149 M N 0.198 119.816 119.600 0.030 0.000 2.065 149 M HA -0.029 4.451 4.480 -0.000 0.000 0.259 149 M C 2.323 178.699 176.300 0.127 0.000 1.069 149 M CA 1.553 56.890 55.300 0.062 0.000 1.110 149 M CB -0.514 32.135 32.600 0.083 0.000 1.328 149 M HN 0.315 nan 8.290 nan 0.000 0.405 150 L N -0.348 120.943 121.223 0.113 0.000 2.046 150 L HA -0.229 4.111 4.340 -0.000 0.000 0.208 150 L C 2.474 179.433 176.870 0.148 0.000 1.077 150 L CA 1.696 56.613 54.840 0.128 0.000 0.747 150 L CB -0.765 41.323 42.059 0.049 0.000 0.896 150 L HN 0.419 nan 8.230 nan 0.000 0.432 151 E N -0.283 119.977 120.200 0.101 0.000 2.106 151 E HA -0.269 4.081 4.350 -0.000 0.000 0.192 151 E C 2.208 178.895 176.600 0.145 0.000 0.984 151 E CA 0.928 57.409 56.400 0.136 0.000 0.806 151 E CB 0.077 29.826 29.700 0.082 0.000 0.750 151 E HN 0.438 nan 8.360 nan 0.000 0.458 152 Q N -0.414 119.426 119.800 0.067 0.000 2.020 152 Q HA -0.225 4.114 4.340 -0.000 0.000 0.202 152 Q C 1.845 177.849 176.000 0.006 0.000 0.982 152 Q CA 1.679 57.472 55.803 -0.017 0.000 0.838 152 Q CB -0.255 28.421 28.738 -0.104 0.000 0.899 152 Q HN 0.434 nan 8.270 nan 0.000 0.423 153 Y N -0.500 119.823 120.300 0.038 0.000 2.151 153 Y HA -0.297 4.253 4.550 -0.000 0.000 0.284 153 Y C 2.104 178.045 175.900 0.068 0.000 1.166 153 Y CA 1.457 59.586 58.100 0.048 0.000 1.163 153 Y CB -0.234 38.253 38.460 0.046 0.000 0.974 153 Y HN 0.307 nan 8.280 nan 0.000 0.511 154 F N 1.134 121.148 119.950 0.107 0.000 2.134 154 F HA -0.245 4.282 4.527 -0.000 0.000 0.299 154 F C 1.881 177.661 175.800 -0.034 0.000 1.097 154 F CA 1.869 59.860 58.000 -0.014 0.000 1.264 154 F CB -0.452 38.501 39.000 -0.078 0.000 1.001 154 F HN 0.008 nan 8.300 nan 0.000 0.479 155 D N -0.087 120.243 120.400 -0.115 0.000 2.183 155 D HA -0.124 4.516 4.640 -0.000 0.000 0.203 155 D C 2.373 178.610 176.300 -0.106 0.000 0.969 155 D CA 1.215 55.095 54.000 -0.200 0.000 0.842 155 D CB -0.317 40.440 40.800 -0.072 0.000 0.957 155 D HN 0.338 nan 8.370 nan 0.000 0.484 156 M N 0.467 120.056 119.600 -0.018 0.000 2.080 156 M HA -0.122 4.358 4.480 -0.000 0.000 0.260 156 M C 2.257 178.709 176.300 0.254 0.000 1.068 156 M CA 1.343 56.734 55.300 0.151 0.000 1.109 156 M CB -0.326 32.359 32.600 0.142 0.000 1.342 156 M HN 0.083 nan 8.290 nan 0.000 0.405 157 I N -2.482 118.163 120.570 0.126 0.000 3.251 157 I HA -0.020 4.150 4.170 -0.000 0.000 0.277 157 I C 1.441 177.552 176.117 -0.010 0.000 1.268 157 I CA 1.226 62.588 61.300 0.103 0.000 1.449 157 I CB -0.620 37.444 38.000 0.108 0.000 1.083 157 I HN 0.245 nan 8.210 nan 0.000 0.464 158 T N -1.170 113.281 114.554 -0.172 0.000 3.129 158 T HA 0.560 4.910 4.350 -0.000 0.000 0.267 158 T C 0.853 175.508 174.700 -0.075 0.000 1.018 158 T CA 0.011 61.995 62.100 -0.194 0.000 0.903 158 T CB -0.206 68.336 68.868 -0.544 0.000 1.067 158 T HN 0.342 nan 8.240 nan 0.000 0.549 159 A N 1.626 124.456 122.820 0.017 0.000 2.565 159 A HA 0.196 4.515 4.320 -0.000 0.000 0.237 159 A C 1.165 178.805 177.584 0.095 0.000 1.053 159 A CA -0.105 51.980 52.037 0.080 0.000 0.755 159 A CB 0.028 19.150 19.000 0.204 0.000 0.980 159 A HN 0.339 nan 8.150 nan 0.000 0.506 160 D N 0.171 120.616 120.400 0.075 0.000 2.317 160 D HA 0.047 4.687 4.640 -0.000 0.000 0.211 160 D C 0.773 177.134 176.300 0.102 0.000 0.966 160 D CA 1.662 55.710 54.000 0.080 0.000 0.876 160 D CB 0.086 40.923 40.800 0.061 0.000 0.927 160 D HN 0.700 nan 8.370 nan 0.000 0.519 161 S N -1.677 114.100 115.700 0.127 0.000 2.615 161 S HA 0.216 4.686 4.470 -0.000 0.000 0.269 161 S C 0.333 175.068 174.600 0.226 0.000 1.161 161 S CA -0.843 57.453 58.200 0.160 0.000 0.817 161 S CB 0.708 63.973 63.200 0.108 0.000 1.131 161 S HN -0.124 nan 8.310 nan 0.000 0.467 162 F N 1.817 121.816 119.950 0.083 0.000 2.126 162 F HA -0.027 4.500 4.527 -0.000 0.000 0.299 162 F C 1.688 177.482 175.800 -0.010 0.000 1.096 162 F CA 2.118 60.103 58.000 -0.025 0.000 1.255 162 F CB -0.624 38.331 39.000 -0.075 0.000 0.997 162 F HN 0.698 nan 8.300 nan 0.000 0.479 163 D N 0.339 120.682 120.400 -0.096 0.000 2.123 163 D HA -0.187 4.453 4.640 -0.000 0.000 0.196 163 D C 1.907 178.098 176.300 -0.182 0.000 0.992 163 D CA 1.632 55.512 54.000 -0.200 0.000 0.833 163 D CB -0.519 40.243 40.800 -0.063 0.000 0.954 163 D HN 0.332 nan 8.370 nan 0.000 0.455 164 D N -0.419 119.937 120.400 -0.074 0.000 2.117 164 D HA -0.169 4.471 4.640 -0.000 0.000 0.197 164 D C 1.944 178.197 176.300 -0.078 0.000 0.987 164 D CA 0.580 54.547 54.000 -0.055 0.000 0.829 164 D CB -0.473 40.329 40.800 0.005 0.000 0.961 164 D HN 0.308 nan 8.370 nan 0.000 0.460 165 Y N 1.977 122.172 120.300 -0.175 0.000 2.097 165 Y HA -0.199 4.350 4.550 -0.000 0.000 0.282 165 Y C 2.111 177.831 175.900 -0.300 0.000 1.152 165 Y CA 1.776 59.763 58.100 -0.189 0.000 1.136 165 Y CB -0.136 38.214 38.460 -0.182 0.000 0.975 165 Y HN -0.052 nan 8.280 nan 0.000 0.498 166 E N -0.097 119.784 120.200 -0.531 0.000 2.110 166 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 166 E C 2.343 178.701 176.600 -0.403 0.000 0.988 166 E CA 0.899 56.951 56.400 -0.581 0.000 0.804 166 E CB -0.317 29.001 29.700 -0.637 0.000 0.745 166 E HN 0.601 nan 8.360 nan 0.000 0.458 167 A N 1.452 124.092 122.820 -0.299 0.000 1.930 167 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 167 A C 2.364 179.823 177.584 -0.208 0.000 1.175 167 A CA 1.580 53.493 52.037 -0.206 0.000 0.627 167 A CB -0.445 18.470 19.000 -0.142 0.000 0.815 167 A HN 0.286 nan 8.150 nan 0.000 0.443 168 A N -0.446 122.226 122.820 -0.246 0.000 1.873 168 A HA -0.023 4.296 4.320 -0.000 0.000 0.215 168 A C 2.107 179.514 177.584 -0.296 0.000 1.186 168 A CA 1.681 53.577 52.037 -0.235 0.000 0.616 168 A CB -0.649 18.216 19.000 -0.224 0.000 0.823 168 A HN 0.632 nan 8.150 nan 0.000 0.442 169 L N -0.088 120.866 121.223 -0.448 0.000 2.079 169 L HA -0.077 4.262 4.340 -0.000 0.000 0.210 169 L C 2.587 179.291 176.870 -0.276 0.000 1.081 169 L CA 2.127 56.706 54.840 -0.435 0.000 0.752 169 L CB -0.685 41.018 42.059 -0.593 0.000 0.896 169 L HN 0.344 nan 8.230 nan 0.000 0.433 170 A N -0.799 121.876 122.820 -0.242 0.000 2.172 170 A HA -0.167 4.152 4.320 -0.000 0.000 0.216 170 A C 2.263 179.773 177.584 -0.123 0.000 1.154 170 A CA 1.155 53.095 52.037 -0.162 0.000 0.701 170 A CB -0.620 18.292 19.000 -0.147 0.000 0.789 170 A HN 0.524 nan 8.150 nan 0.000 0.465 171 R N -1.479 118.943 120.500 -0.131 0.000 2.241 171 R HA -0.039 4.301 4.340 -0.000 0.000 0.224 171 R C 0.079 176.328 176.300 -0.085 0.000 1.101 171 R CA 0.758 56.801 56.100 -0.095 0.000 0.995 171 R CB -0.288 29.958 30.300 -0.091 0.000 0.870 171 R HN 0.399 nan 8.270 nan 0.000 0.463 172 M N 0.406 119.943 119.600 -0.104 0.000 2.360 172 M HA -0.224 4.256 4.480 -0.000 0.000 0.202 172 M C -0.087 176.165 176.300 -0.080 0.000 0.390 172 M CA 0.935 56.180 55.300 -0.091 0.000 0.470 172 M CB -1.941 30.621 32.600 -0.064 0.000 1.637 172 M HN 0.222 nan 8.290 nan 0.000 0.885 173 Q N -0.888 118.859 119.800 -0.089 0.000 2.384 173 Q HA 0.303 4.643 4.340 -0.000 0.000 0.207 173 Q C 0.721 176.683 176.000 -0.064 0.000 0.904 173 Q CA 0.376 56.141 55.803 -0.063 0.000 0.933 173 Q CB 0.990 29.700 28.738 -0.048 0.000 1.077 173 Q HN 0.526 nan 8.270 nan 0.000 0.522 174 V N 4.987 124.836 119.914 -0.109 0.000 2.318 174 V HA 0.125 4.245 4.120 -0.000 0.000 0.271 174 V C -1.550 174.478 176.094 -0.110 0.000 1.030 174 V CA -1.041 61.203 62.300 -0.093 0.000 0.844 174 V CB 1.507 33.209 31.823 -0.202 0.000 1.015 174 V HN 0.050 nan 8.190 nan 0.000 0.460 175 P HA 0.068 nan 4.420 nan 0.000 0.245 175 P C 0.488 177.633 177.300 -0.258 0.000 1.212 175 P CA 0.735 63.741 63.100 -0.158 0.000 0.774 175 P CB 0.730 32.355 31.700 -0.125 0.000 0.999 176 T N -1.592 112.736 114.554 -0.377 0.000 2.661 176 T HA 0.561 4.911 4.350 -0.000 0.000 0.305 176 T C -1.852 172.537 174.700 -0.519 0.000 1.441 176 T CA -0.414 61.353 62.100 -0.555 0.000 0.999 176 T CB 0.198 68.639 68.868 -0.713 0.000 1.650 176 T HN -0.084 nan 8.240 nan 0.000 0.489 177 F N 0.090 119.935 119.950 -0.175 0.000 2.182 177 F HA -0.091 4.436 4.527 -0.000 0.000 0.335 177 F C 0.130 175.800 175.800 -0.217 0.000 1.297 177 F CA -0.945 56.979 58.000 -0.127 0.000 0.981 177 F CB -0.358 38.632 39.000 -0.016 0.000 4.058 177 F HN 0.529 nan 8.300 nan 0.000 0.226 178 N N 3.425 122.164 118.700 0.064 0.000 2.513 178 N HA 0.604 5.344 4.740 -0.000 0.000 0.268 178 N C -0.521 175.057 175.510 0.113 0.000 1.180 178 N CA 0.109 53.183 53.050 0.039 0.000 0.948 178 N CB 1.008 39.644 38.487 0.248 0.000 1.083 178 N HN 0.456 nan 8.380 nan 0.000 0.455 179 I N 1.541 122.137 120.570 0.042 0.000 2.499 179 I HA 0.302 4.472 4.170 -0.000 0.000 0.288 179 I C -0.516 175.715 176.117 0.190 0.000 1.048 179 I CA -0.891 60.490 61.300 0.135 0.000 1.062 179 I CB 2.017 40.097 38.000 0.134 0.000 1.238 179 I HN -0.043 nan 8.210 nan 0.000 0.426 180 V N 6.180 126.250 119.914 0.260 0.000 2.628 180 V HA 0.476 4.596 4.120 -0.000 0.000 0.306 180 V C -1.256 175.001 176.094 0.271 0.000 1.045 180 V CA -0.733 61.745 62.300 0.297 0.000 0.905 180 V CB 2.365 34.380 31.823 0.319 0.000 0.997 180 V HN 0.617 nan 8.190 nan 0.000 0.436 181 Y N 2.829 123.166 120.300 0.061 0.000 2.492 181 Y HA 0.820 5.370 4.550 -0.000 0.000 0.346 181 Y C -0.412 175.411 175.900 -0.127 0.000 0.997 181 Y CA -0.401 57.636 58.100 -0.106 0.000 1.025 181 Y CB 1.920 40.184 38.460 -0.327 0.000 1.263 181 Y HN 0.830 nan 8.280 nan 0.000 0.454 182 A N 3.923 126.325 122.820 -0.695 0.000 2.587 182 A HA 0.743 5.063 4.320 -0.000 0.000 0.293 182 A C -1.923 174.921 177.584 -1.233 0.000 1.087 182 A CA -0.332 51.317 52.037 -0.647 0.000 0.692 182 A CB 1.705 20.525 19.000 -0.299 0.000 1.291 182 A HN 0.832 nan 8.150 nan 0.000 0.407 183 D N -1.280 118.579 120.400 -0.901 0.000 2.643 183 D HA 0.320 4.960 4.640 -0.000 0.000 0.283 183 D C 0.536 176.517 176.300 -0.532 0.000 1.242 183 D CA -0.479 52.966 54.000 -0.925 0.000 0.863 183 D CB 0.602 41.120 40.800 -0.469 0.000 1.382 183 D HN 0.525 nan 8.370 nan 0.000 0.444 184 R N -0.393 119.925 120.500 -0.304 0.000 2.280 184 R HA 0.055 4.395 4.340 -0.000 0.000 0.207 184 R C 0.283 176.570 176.300 -0.023 0.000 1.043 184 R CA 0.955 57.038 56.100 -0.029 0.000 1.006 184 R CB -0.287 30.064 30.300 0.085 0.000 0.885 184 R HN 0.319 nan 8.270 nan 0.000 0.467 185 E N 0.363 120.537 120.200 -0.043 0.000 2.371 185 E HA 0.093 4.442 4.350 -0.000 0.000 0.194 185 E C 1.001 177.583 176.600 -0.029 0.000 1.012 185 E CA 1.022 57.414 56.400 -0.013 0.000 0.860 185 E CB 0.530 30.238 29.700 0.014 0.000 0.811 185 E HN 0.642 nan 8.360 nan 0.000 0.502 186 G N -0.185 108.577 108.800 -0.063 0.000 2.192 186 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.193 186 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.193 186 G C 0.383 175.230 174.900 -0.089 0.000 0.999 186 G CA -0.013 45.049 45.100 -0.062 0.000 0.659 186 G HN 0.206 nan 8.290 nan 0.000 0.503 187 T N 1.701 116.182 114.554 -0.123 0.000 2.856 187 T HA 0.622 4.972 4.350 -0.000 0.000 0.292 187 T C 0.528 175.130 174.700 -0.163 0.000 0.980 187 T CA 0.488 62.467 62.100 -0.202 0.000 1.091 187 T CB 1.111 69.754 68.868 -0.375 0.000 0.936 187 T HN 0.929 nan 8.240 nan 0.000 0.503 188 I N 1.117 121.597 120.570 -0.150 0.000 2.785 188 I HA 0.745 4.915 4.170 -0.000 0.000 0.302 188 I C -0.776 175.319 176.117 -0.036 0.000 1.069 188 I CA -0.915 60.364 61.300 -0.035 0.000 1.045 188 I CB 2.386 40.394 38.000 0.013 0.000 1.236 188 I HN 0.454 nan 8.210 nan 0.000 0.429 189 N N 3.221 121.985 118.700 0.106 0.000 2.371 189 N HA 0.299 5.039 4.740 -0.000 0.000 0.280 189 N C -2.347 173.336 175.510 0.288 0.000 1.084 189 N CA -0.354 52.797 53.050 0.169 0.000 0.892 189 N CB 2.885 41.481 38.487 0.182 0.000 1.653 189 N HN 0.807 nan 8.380 nan 0.000 0.480 190 Y N 1.845 122.250 120.300 0.174 0.000 2.377 190 Y HA 0.590 5.140 4.550 -0.000 0.000 0.339 190 Y C -1.257 174.764 175.900 0.201 0.000 1.011 190 Y CA -0.245 57.968 58.100 0.189 0.000 1.093 190 Y CB 1.458 40.016 38.460 0.163 0.000 1.201 190 Y HN 0.373 nan 8.280 nan 0.000 0.455 191 S N 6.839 122.172 115.700 -0.611 0.000 2.647 191 S HA 0.279 4.749 4.470 -0.000 0.000 0.300 191 S C -1.323 172.857 174.600 -0.700 0.000 1.129 191 S CA -0.645 57.238 58.200 -0.529 0.000 1.029 191 S CB 0.716 63.824 63.200 -0.153 0.000 1.007 191 S HN 0.667 nan 8.310 nan 0.000 0.484 192 F N 4.362 123.888 119.950 -0.708 0.000 2.600 192 F HA 0.297 4.824 4.527 -0.000 0.000 0.345 192 F C 0.396 176.054 175.800 -0.237 0.000 1.271 192 F CA -0.328 57.446 58.000 -0.376 0.000 1.138 192 F CB -0.387 38.453 39.000 -0.268 0.000 1.449 192 F HN 0.599 nan 8.300 nan 0.000 0.645 193 N N 3.355 121.843 118.700 -0.354 0.000 2.508 193 N HA 0.777 5.517 4.740 -0.000 0.000 0.285 193 N C -0.163 175.164 175.510 -0.304 0.000 1.144 193 N CA 0.465 53.369 53.050 -0.243 0.000 0.978 193 N CB 1.474 39.859 38.487 -0.170 0.000 1.180 193 N HN 0.795 nan 8.380 nan 0.000 0.484 194 G N -0.470 108.211 108.800 -0.199 0.000 2.369 194 G HA2 0.145 4.104 3.960 -0.000 0.000 0.293 194 G HA3 0.145 4.104 3.960 -0.000 0.000 0.293 194 G C -1.932 172.897 174.900 -0.118 0.000 1.301 194 G CA -0.668 44.315 45.100 -0.194 0.000 0.913 194 G HN 0.514 nan 8.290 nan 0.000 0.540 195 V N 1.067 120.908 119.914 -0.121 0.000 2.293 195 V HA 0.683 4.803 4.120 -0.000 0.000 0.275 195 V C 0.614 176.629 176.094 -0.132 0.000 1.021 195 V CA 0.084 62.325 62.300 -0.100 0.000 0.815 195 V CB 0.721 32.489 31.823 -0.093 0.000 1.025 195 V HN 1.631 nan 8.190 nan 0.000 0.448 196 A N 7.684 130.447 122.820 -0.094 0.000 2.271 196 A HA 0.864 5.184 4.320 -0.000 0.000 0.317 196 A C -2.714 174.682 177.584 -0.314 0.000 1.245 196 A CA -1.883 50.083 52.037 -0.119 0.000 0.857 196 A CB 0.918 20.011 19.000 0.156 0.000 1.175 196 A HN 0.574 nan 8.150 nan 0.000 0.512 197 P HA 0.058 nan 4.420 nan 0.000 0.265 197 P C -0.576 176.277 177.300 -0.745 0.000 1.193 197 P CA 0.232 62.763 63.100 -0.950 0.000 0.765 197 P CB 0.393 30.869 31.700 -2.041 0.000 0.823 198 K N 4.140 124.191 120.400 -0.581 0.000 2.349 198 K HA 0.258 4.578 4.320 -0.000 0.000 0.288 198 K C 0.204 176.618 176.600 -0.311 0.000 1.058 198 K CA -0.019 56.011 56.287 -0.430 0.000 0.953 198 K CB 0.486 32.809 32.500 -0.295 0.000 0.997 198 K HN 0.382 nan 8.250 nan 0.000 0.477 199 R N 0.759 121.053 120.500 -0.343 0.000 2.854 199 R HA 0.357 4.697 4.340 -0.000 0.000 0.271 199 R C 0.209 176.606 176.300 0.162 0.000 0.994 199 R CA -0.510 55.466 56.100 -0.206 0.000 0.945 199 R CB 1.355 31.250 30.300 -0.676 0.000 1.194 199 R HN 0.646 nan 8.270 nan 0.000 0.476 200 A N 0.715 123.678 122.820 0.239 0.000 2.220 200 A HA 0.108 4.427 4.320 -0.000 0.000 0.211 200 A C 0.008 177.752 177.584 0.267 0.000 1.176 200 A CA 0.700 52.876 52.037 0.232 0.000 0.834 200 A CB -0.264 18.836 19.000 0.167 0.000 0.868 200 A HN 0.757 nan 8.150 nan 0.000 0.488 201 E N -3.193 117.227 120.200 0.367 0.000 2.456 201 E HA 0.525 4.875 4.350 -0.000 0.000 0.278 201 E C -0.095 176.810 176.600 0.508 0.000 1.034 201 E CA -0.926 55.669 56.400 0.325 0.000 0.846 201 E CB 0.550 30.357 29.700 0.178 0.000 1.460 201 E HN 1.263 nan 8.360 nan 0.000 0.463 202 G N 1.423 110.380 108.800 0.262 0.000 2.862 202 G HA2 0.006 3.966 3.960 -0.000 0.000 0.686 202 G HA3 0.006 3.966 3.960 -0.000 0.000 0.686 202 G C -0.761 174.483 174.900 0.573 0.000 1.134 202 G CA -0.124 45.100 45.100 0.208 0.000 0.791 202 G HN 0.925 nan 8.290 nan 0.000 0.592 203 D N 0.858 121.506 120.400 0.413 0.000 2.506 203 D HA 0.505 5.145 4.640 -0.000 0.000 0.272 203 D C 1.859 178.487 176.300 0.548 0.000 1.214 203 D CA -0.494 53.767 54.000 0.435 0.000 1.067 203 D CB 0.594 41.548 40.800 0.256 0.000 1.117 203 D HN 0.641 nan 8.370 nan 0.000 0.578 204 I N -0.195 120.629 120.570 0.424 0.000 2.208 204 I HA -0.254 3.916 4.170 -0.000 0.000 0.245 204 I C 2.116 178.417 176.117 0.307 0.000 1.097 204 I CA 1.933 63.466 61.300 0.389 0.000 1.363 204 I CB -0.275 37.897 38.000 0.287 0.000 1.051 204 I HN 0.514 nan 8.210 nan 0.000 0.413 205 A N 0.331 123.292 122.820 0.234 0.000 1.933 205 A HA -0.279 4.041 4.320 -0.000 0.000 0.218 205 A C 2.213 179.863 177.584 0.111 0.000 1.175 205 A CA 1.816 53.943 52.037 0.149 0.000 0.628 205 A CB -1.223 17.852 19.000 0.124 0.000 0.814 205 A HN 0.620 nan 8.150 nan 0.000 0.444 206 F N -0.916 119.035 119.950 0.002 0.000 2.095 206 F HA -0.182 4.344 4.527 -0.000 0.000 0.298 206 F C 1.829 177.467 175.800 -0.269 0.000 1.104 206 F CA 1.755 59.644 58.000 -0.186 0.000 1.232 206 F CB -0.418 38.407 39.000 -0.290 0.000 0.987 206 F HN 0.376 nan 8.300 nan 0.000 0.475 207 W N 0.460 121.765 121.300 0.009 0.000 2.905 207 W HA 0.050 4.710 4.660 -0.000 0.000 0.251 207 W C 2.280 178.710 176.519 -0.149 0.000 1.305 207 W CA 0.427 57.702 57.345 -0.118 0.000 1.465 207 W CB -0.310 29.174 29.460 0.040 0.000 1.122 207 W HN 0.083 nan 8.180 nan 0.000 0.659 208 Q N -0.295 119.550 119.800 0.075 0.000 2.269 208 Q HA 0.073 4.412 4.340 -0.000 0.000 0.201 208 Q C 1.667 177.614 176.000 -0.088 0.000 0.946 208 Q CA 0.698 56.509 55.803 0.013 0.000 0.877 208 Q CB -0.154 28.612 28.738 0.046 0.000 0.963 208 Q HN 0.192 nan 8.270 nan 0.000 0.472 209 G N 0.043 108.732 108.800 -0.184 0.000 2.510 209 G HA2 0.374 4.333 3.960 -0.000 0.000 0.280 209 G HA3 0.374 4.333 3.960 -0.000 0.000 0.280 209 G C -0.623 174.091 174.900 -0.310 0.000 1.386 209 G CA -0.731 44.237 45.100 -0.221 0.000 1.047 209 G HN 0.106 nan 8.290 nan 0.000 0.527 210 L N 0.794 121.848 121.223 -0.281 0.000 2.456 210 L HA 0.165 4.505 4.340 -0.000 0.000 0.277 210 L C 0.047 176.639 176.870 -0.464 0.000 1.124 210 L CA -0.415 54.246 54.840 -0.298 0.000 0.880 210 L CB 0.624 42.576 42.059 -0.178 0.000 1.192 210 L HN -0.010 nan 8.230 nan 0.000 0.463 211 V N 5.895 125.443 119.914 -0.609 0.000 2.649 211 V HA 0.202 4.322 4.120 -0.000 0.000 0.292 211 V C -1.902 173.970 176.094 -0.369 0.000 1.055 211 V CA -1.649 60.168 62.300 -0.805 0.000 1.023 211 V CB 1.154 32.398 31.823 -0.965 0.000 0.992 211 V HN 0.593 nan 8.190 nan 0.000 0.480 212 P HA 0.120 nan 4.420 nan 0.000 0.264 212 P C 0.598 178.052 177.300 0.257 0.000 1.193 212 P CA 0.259 63.351 63.100 -0.013 0.000 0.763 212 P CB 0.531 32.246 31.700 0.025 0.000 0.810 213 G N 1.875 110.819 108.800 0.240 0.000 3.523 213 G HA2 0.035 3.994 3.960 -0.000 0.000 0.270 213 G HA3 0.035 3.994 3.960 -0.000 0.000 0.270 213 G C 0.064 175.247 174.900 0.471 0.000 1.134 213 G CA -0.196 45.056 45.100 0.253 0.000 0.825 213 G HN 0.514 nan 8.290 nan 0.000 0.534 214 D N -0.802 119.827 120.400 0.381 0.000 2.538 214 D HA 0.223 4.863 4.640 -0.000 0.000 0.231 214 D C 0.233 176.565 176.300 0.053 0.000 1.229 214 D CA -0.520 53.661 54.000 0.302 0.000 0.828 214 D CB 0.370 41.289 40.800 0.198 0.000 1.035 214 D HN 0.027 nan 8.370 nan 0.000 0.495 215 S N -0.652 115.042 115.700 -0.011 0.000 2.548 215 S HA 0.313 4.783 4.470 -0.000 0.000 0.278 215 S C 0.514 174.961 174.600 -0.254 0.000 1.150 215 S CA -0.080 57.936 58.200 -0.307 0.000 0.907 215 S CB 1.072 64.236 63.200 -0.060 0.000 1.108 215 S HN 0.055 nan 8.310 nan 0.000 0.459 216 S N 3.685 119.115 115.700 -0.449 0.000 2.555 216 S HA -0.034 4.436 4.470 -0.000 0.000 0.230 216 S C 1.694 176.278 174.600 -0.028 0.000 0.978 216 S CA 0.627 58.771 58.200 -0.094 0.000 0.934 216 S CB -0.399 62.762 63.200 -0.065 0.000 0.766 216 S HN 0.761 nan 8.310 nan 0.000 0.533 217 R N 0.616 121.023 120.500 -0.155 0.000 2.103 217 R HA -0.142 4.198 4.340 -0.000 0.000 0.242 217 R C 0.856 177.071 176.300 -0.141 0.000 1.142 217 R CA 1.855 57.788 56.100 -0.279 0.000 0.960 217 R CB -0.300 29.611 30.300 -0.650 0.000 0.858 217 R HN 0.657 nan 8.270 nan 0.000 0.439 218 Y N -0.804 119.698 120.300 0.337 0.000 2.555 218 Y HA 0.186 4.735 4.550 -0.000 0.000 0.259 218 Y C -0.149 176.141 175.900 0.650 0.000 1.179 218 Y CA -0.803 57.654 58.100 0.594 0.000 1.230 218 Y CB 0.637 39.437 38.460 0.567 0.000 1.146 218 Y HN -0.005 nan 8.280 nan 0.000 0.526 219 L N 3.752 125.243 121.223 0.446 0.000 2.356 219 L HA 0.169 4.509 4.340 -0.000 0.000 0.282 219 L C 0.253 177.206 176.870 0.139 0.000 1.132 219 L CA -0.959 54.001 54.840 0.199 0.000 0.923 219 L CB -0.389 41.727 42.059 0.095 0.000 1.278 219 L HN 0.170 nan 8.230 nan 0.000 0.436 220 W N 3.033 124.479 121.300 0.243 0.000 2.150 220 W HA 0.385 5.045 4.660 -0.000 0.000 0.341 220 W C 0.163 176.714 176.519 0.054 0.000 1.276 220 W CA -0.058 57.334 57.345 0.077 0.000 1.238 220 W CB -0.079 29.340 29.460 -0.068 0.000 1.128 220 W HN 0.621 nan 8.180 nan 0.000 0.581 221 T N -2.967 111.790 114.554 0.338 0.000 3.046 221 T HA 0.200 4.550 4.350 -0.000 0.000 0.270 221 T C 0.015 174.845 174.700 0.216 0.000 0.920 221 T CA -0.182 62.046 62.100 0.214 0.000 0.874 221 T CB 0.451 69.374 68.868 0.091 0.000 1.214 221 T HN 0.510 nan 8.240 nan 0.000 0.536 222 E N 1.648 121.957 120.200 0.183 0.000 2.339 222 E HA 0.626 4.976 4.350 -0.000 0.000 0.262 222 E C -0.864 175.704 176.600 -0.053 0.000 0.934 222 E CA -0.948 55.486 56.400 0.057 0.000 0.802 222 E CB 2.230 31.936 29.700 0.011 0.000 1.275 222 E HN 0.406 nan 8.360 nan 0.000 0.427 223 T N -2.062 112.425 114.554 -0.112 0.000 2.883 223 T HA 0.331 4.681 4.350 -0.000 0.000 0.296 223 T C -0.505 174.079 174.700 -0.192 0.000 1.117 223 T CA -0.946 61.026 62.100 -0.213 0.000 1.006 223 T CB 1.155 69.946 68.868 -0.129 0.000 1.191 223 T HN 0.312 nan 8.240 nan 0.000 0.508 224 H N 2.157 121.212 119.070 -0.025 0.000 2.683 224 H HA 0.395 4.951 4.556 -0.000 0.000 0.339 224 H C -1.958 173.366 175.328 -0.008 0.000 1.081 224 H CA -1.182 54.870 56.048 0.006 0.000 1.432 224 H CB 1.004 30.787 29.762 0.036 0.000 1.462 224 H HN 0.522 nan 8.280 nan 0.000 0.557 225 P HA -0.033 nan 4.420 nan 0.000 0.277 225 P C 1.102 178.433 177.300 0.051 0.000 1.271 225 P CA -0.610 62.525 63.100 0.058 0.000 0.795 225 P CB 1.359 33.085 31.700 0.043 0.000 1.101 226 L N 1.433 122.658 121.223 0.003 0.000 2.042 226 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 226 L C 1.268 178.143 176.870 0.008 0.000 1.076 226 L CA 2.332 57.163 54.840 -0.015 0.000 0.749 226 L CB -1.572 40.451 42.059 -0.060 0.000 0.893 226 L HN 0.325 nan 8.230 nan 0.000 0.432 227 D N -2.388 118.022 120.400 0.016 0.000 2.363 227 D HA -0.102 4.538 4.640 -0.000 0.000 0.226 227 D C 1.152 177.483 176.300 0.051 0.000 1.020 227 D CA 0.471 54.490 54.000 0.032 0.000 0.892 227 D CB -0.433 40.380 40.800 0.021 0.000 0.900 227 D HN 0.323 nan 8.370 nan 0.000 0.531 228 D N -0.154 120.274 120.400 0.047 0.000 2.348 228 D HA 0.116 4.756 4.640 -0.000 0.000 0.211 228 D C 0.327 176.669 176.300 0.069 0.000 0.998 228 D CA 0.179 54.191 54.000 0.018 0.000 0.873 228 D CB 0.339 41.102 40.800 -0.062 0.000 0.925 228 D HN 0.289 nan 8.370 nan 0.000 0.524 229 L N 0.869 122.125 121.223 0.054 0.000 2.334 229 L HA 0.390 4.730 4.340 -0.000 0.000 0.275 229 L C -2.227 174.547 176.870 -0.160 0.000 1.036 229 L CA -2.257 52.551 54.840 -0.052 0.000 0.807 229 L CB 1.234 43.300 42.059 0.012 0.000 1.231 229 L HN -0.355 nan 8.230 nan 0.000 0.438 230 P HA 0.089 nan 4.420 nan 0.000 0.261 230 P C -1.109 176.132 177.300 -0.099 0.000 1.183 230 P CA 0.418 63.061 63.100 -0.762 0.000 0.761 230 P CB 0.364 31.416 31.700 -1.081 0.000 0.785 231 R N 1.512 122.093 120.500 0.136 0.000 2.739 231 R HA 0.766 5.106 4.340 -0.000 0.000 0.271 231 R C -1.547 175.024 176.300 0.451 0.000 1.010 231 R CA -1.107 55.151 56.100 0.263 0.000 0.897 231 R CB 1.986 32.378 30.300 0.153 0.000 1.236 231 R HN 0.100 nan 8.270 nan 0.000 0.466 232 V N 0.865 121.024 119.914 0.408 0.000 2.733 232 V HA 0.473 4.593 4.120 -0.000 0.000 0.306 232 V C -0.875 175.350 176.094 0.218 0.000 1.084 232 V CA -0.663 61.828 62.300 0.317 0.000 0.905 232 V CB 2.431 34.420 31.823 0.277 0.000 1.010 232 V HN 0.829 nan 8.190 nan 0.000 0.424 233 T N 3.715 118.356 114.554 0.146 0.000 2.879 233 T HA 0.409 4.759 4.350 -0.000 0.000 0.290 233 T C -0.069 174.642 174.700 0.019 0.000 0.993 233 T CA -0.532 61.612 62.100 0.073 0.000 0.975 233 T CB 0.982 69.917 68.868 0.111 0.000 0.981 233 T HN 0.726 nan 8.240 nan 0.000 0.439 234 N N 2.477 121.161 118.700 -0.028 0.000 2.686 234 N HA -0.111 4.629 4.740 -0.000 0.000 0.261 234 N C -2.339 173.161 175.510 -0.017 0.000 1.001 234 N CA 0.381 53.412 53.050 -0.031 0.000 0.764 234 N CB -0.865 37.596 38.487 -0.042 0.000 0.898 234 N HN 0.486 nan 8.380 nan 0.000 0.544 235 P HA 0.238 nan 4.420 nan 0.000 0.276 235 P C -1.621 175.652 177.300 -0.044 0.000 1.252 235 P CA -1.137 61.936 63.100 -0.045 0.000 0.802 235 P CB 0.642 32.285 31.700 -0.094 0.000 1.035 236 P HA -0.107 nan 4.420 nan 0.000 0.216 236 P C 1.625 178.919 177.300 -0.009 0.000 1.150 236 P CA 1.725 64.807 63.100 -0.031 0.000 0.837 236 P CB -0.478 31.194 31.700 -0.047 0.000 0.786 237 G N -1.005 107.783 108.800 -0.020 0.000 2.509 237 G HA2 0.049 4.008 3.960 -0.000 0.000 0.218 237 G HA3 0.049 4.008 3.960 -0.000 0.000 0.218 237 G C 1.163 176.162 174.900 0.165 0.000 1.124 237 G CA 0.614 45.760 45.100 0.076 0.000 0.776 237 G HN 0.478 nan 8.290 nan 0.000 0.547 238 G N -1.162 107.679 108.800 0.068 0.000 2.160 238 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.244 238 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.244 238 G C 0.104 175.138 174.900 0.224 0.000 1.022 238 G CA 0.522 45.689 45.100 0.111 0.000 0.741 238 G HN 1.612 nan 8.290 nan 0.000 0.508 239 F N -2.208 117.772 119.950 0.051 0.000 2.719 239 F HA 0.761 5.288 4.527 -0.000 0.000 0.309 239 F C -0.576 175.274 175.800 0.083 0.000 1.138 239 F CA -1.109 56.931 58.000 0.067 0.000 0.943 239 F CB 0.997 40.043 39.000 0.077 0.000 1.304 239 F HN 0.760 nan 8.300 nan 0.000 0.445 240 V N 0.573 120.555 119.914 0.114 0.000 3.102 240 V HA 0.991 5.111 4.120 -0.000 0.000 0.312 240 V C -1.394 174.890 176.094 0.317 0.000 1.135 240 V CA -0.675 61.642 62.300 0.029 0.000 1.022 240 V CB 1.493 33.379 31.823 0.105 0.000 1.056 240 V HN 1.459 nan 8.190 nan 0.000 0.436 241 Q N 1.095 121.010 119.800 0.191 0.000 2.527 241 Q HA 0.599 4.939 4.340 -0.000 0.000 0.280 241 Q C -1.691 174.354 176.000 0.076 0.000 0.977 241 Q CA -0.544 55.402 55.803 0.238 0.000 0.837 241 Q CB 1.717 30.669 28.738 0.357 0.000 1.454 241 Q HN 0.976 nan 8.270 nan 0.000 0.387 242 N N 0.543 119.330 118.700 0.145 0.000 2.406 242 N HA 0.387 5.127 4.740 -0.000 0.000 0.283 242 N C -1.451 174.141 175.510 0.136 0.000 1.074 242 N CA -0.357 52.757 53.050 0.106 0.000 0.916 242 N CB 2.146 40.735 38.487 0.169 0.000 1.639 242 N HN 0.607 nan 8.380 nan 0.000 0.485 243 S N 2.291 118.048 115.700 0.095 0.000 2.617 243 S HA 0.242 4.712 4.470 -0.000 0.000 0.237 243 S C 0.180 174.801 174.600 0.034 0.000 1.142 243 S CA -0.413 57.824 58.200 0.061 0.000 1.167 243 S CB -0.510 62.745 63.200 0.092 0.000 1.068 243 S HN 0.819 nan 8.310 nan 0.000 0.470 244 N N 1.609 120.340 118.700 0.052 0.000 2.900 244 N HA -0.167 4.573 4.740 -0.000 0.000 0.240 244 N C -0.604 174.898 175.510 -0.014 0.000 0.953 244 N CA 1.347 54.423 53.050 0.043 0.000 0.950 244 N CB -1.073 37.441 38.487 0.045 0.000 1.102 244 N HN 0.618 nan 8.380 nan 0.000 0.593 245 D N 0.546 120.902 120.400 -0.073 0.000 2.382 245 D HA 0.206 4.846 4.640 -0.000 0.000 0.240 245 D C -2.269 173.880 176.300 -0.250 0.000 1.146 245 D CA -1.163 52.690 54.000 -0.246 0.000 0.897 245 D CB -0.063 40.480 40.800 -0.428 0.000 1.197 245 D HN -0.011 nan 8.370 nan 0.000 0.432 246 P HA 0.046 nan 4.420 nan 0.000 0.267 246 P C -1.908 175.043 177.300 -0.582 0.000 1.201 246 P CA -0.775 62.087 63.100 -0.398 0.000 0.775 246 P CB -0.272 31.276 31.700 -0.254 0.000 0.854 247 P HA 0.046 nan 4.420 nan 0.000 0.253 247 P C -0.067 177.033 177.300 -0.333 0.000 1.508 247 P CA 0.358 63.130 63.100 -0.547 0.000 0.883 247 P CB -0.497 30.913 31.700 -0.483 0.000 1.519 248 W N 0.283 121.720 121.300 0.228 0.000 3.197 248 W HA 0.104 4.764 4.660 -0.000 0.000 0.274 248 W C 0.655 177.320 176.519 0.244 0.000 1.297 248 W CA 0.113 57.638 57.345 0.299 0.000 1.662 248 W CB -0.004 29.676 29.460 0.367 0.000 1.106 248 W HN 0.035 nan 8.180 nan 0.000 0.663 249 T N -2.929 111.875 114.554 0.417 0.000 3.630 249 T HA 0.194 4.543 4.350 -0.000 0.000 0.238 249 T C -1.667 173.103 174.700 0.117 0.000 1.195 249 T CA -1.561 60.724 62.100 0.309 0.000 1.433 249 T CB 0.690 69.795 68.868 0.395 0.000 0.940 249 T HN -0.210 nan 8.240 nan 0.000 0.641 250 P HA 0.114 nan 4.420 nan 0.000 0.233 250 P C 0.506 177.677 177.300 -0.213 0.000 1.167 250 P CA 0.768 63.705 63.100 -0.273 0.000 0.770 250 P CB 0.366 31.753 31.700 -0.522 0.000 0.837 251 T N -2.248 112.201 114.554 -0.175 0.000 2.739 251 T HA 0.445 4.795 4.350 -0.000 0.000 0.303 251 T C -2.706 172.014 174.700 0.033 0.000 1.389 251 T CA -0.700 61.144 62.100 -0.427 0.000 1.001 251 T CB 1.125 69.676 68.868 -0.528 0.000 1.436 251 T HN -0.019 nan 8.240 nan 0.000 0.500 252 W N 4.281 125.437 121.300 -0.240 0.000 3.036 252 W HA 0.418 5.078 4.660 -0.000 0.000 0.337 252 W C -2.749 173.783 176.519 0.023 0.000 1.055 252 W CA -1.832 55.523 57.345 0.016 0.000 1.248 252 W CB 1.775 31.359 29.460 0.207 0.000 1.335 252 W HN 0.607 nan 8.180 nan 0.000 0.446 253 P HA 0.064 nan 4.420 nan 0.000 0.272 253 P C 0.111 177.221 177.300 -0.317 0.000 1.230 253 P CA 0.126 62.849 63.100 -0.628 0.000 0.788 253 P CB 1.203 32.611 31.700 -0.486 0.000 0.949 254 V N -0.720 119.012 119.914 -0.303 0.000 3.096 254 V HA 0.251 4.371 4.120 -0.000 0.000 0.306 254 V C 1.206 177.183 176.094 -0.195 0.000 1.088 254 V CA 0.721 62.909 62.300 -0.187 0.000 1.129 254 V CB -0.105 31.659 31.823 -0.098 0.000 1.014 254 V HN 0.788 nan 8.190 nan 0.000 0.486 255 T N -0.873 113.541 114.554 -0.234 0.000 3.044 255 T HA 0.412 4.762 4.350 -0.000 0.000 0.260 255 T C 0.032 174.767 174.700 0.059 0.000 1.019 255 T CA 0.528 62.574 62.100 -0.090 0.000 0.921 255 T CB -0.499 68.358 68.868 -0.018 0.000 1.053 255 T HN 1.288 nan 8.240 nan 0.000 0.533 256 Y N -0.646 119.740 120.300 0.144 0.000 2.788 256 Y HA 0.732 5.281 4.550 -0.000 0.000 0.335 256 Y C -0.838 175.184 175.900 0.203 0.000 1.287 256 Y CA -1.329 56.879 58.100 0.179 0.000 1.068 256 Y CB 0.636 39.288 38.460 0.320 0.000 1.340 256 Y HN 0.154 nan 8.280 nan 0.000 0.449 257 T N -3.538 111.311 114.554 0.493 0.000 2.841 257 T HA 0.474 4.824 4.350 -0.000 0.000 0.296 257 T C -2.741 172.009 174.700 0.084 0.000 1.166 257 T CA -2.293 59.959 62.100 0.252 0.000 1.007 257 T CB 2.122 71.022 68.868 0.053 0.000 1.253 257 T HN 0.338 nan 8.240 nan 0.000 0.511 258 P HA -0.141 nan 4.420 nan 0.000 0.217 258 P C 1.282 178.392 177.300 -0.316 0.000 1.148 258 P CA 1.282 63.826 63.100 -0.927 0.000 0.828 258 P CB -0.036 31.010 31.700 -1.091 0.000 0.783 259 K N -0.872 119.413 120.400 -0.191 0.000 2.439 259 K HA -0.075 4.245 4.320 -0.000 0.000 0.197 259 K C 0.833 177.344 176.600 -0.150 0.000 1.041 259 K CA 1.156 57.364 56.287 -0.131 0.000 0.970 259 K CB -0.540 31.899 32.500 -0.101 0.000 0.773 259 K HN 0.031 nan 8.250 nan 0.000 0.479 260 D N 0.173 120.457 120.400 -0.194 0.000 2.371 260 D HA 0.037 4.677 4.640 -0.000 0.000 0.221 260 D C -0.381 175.433 176.300 -0.811 0.000 0.986 260 D CA 0.702 54.424 54.000 -0.464 0.000 0.899 260 D CB 0.001 40.467 40.800 -0.556 0.000 0.902 260 D HN 0.160 nan 8.370 nan 0.000 0.530 261 F N -0.520 119.354 119.950 -0.126 0.000 2.613 261 F HA 0.362 4.889 4.527 -0.000 0.000 0.314 261 F C -2.101 173.579 175.800 -0.199 0.000 1.075 261 F CA -2.614 55.290 58.000 -0.160 0.000 0.945 261 F CB 1.135 40.072 39.000 -0.104 0.000 1.310 261 F HN -0.394 nan 8.300 nan 0.000 0.467 262 P HA 0.068 nan 4.420 nan 0.000 0.268 262 P C 0.451 177.558 177.300 -0.322 0.000 1.204 262 P CA -0.012 62.880 63.100 -0.346 0.000 0.768 262 P CB 0.812 32.028 31.700 -0.807 0.000 0.842 263 S N 1.596 117.198 115.700 -0.164 0.000 2.595 263 S HA -0.174 4.296 4.470 -0.000 0.000 0.235 263 S C 1.242 175.914 174.600 0.121 0.000 0.974 263 S CA 0.547 58.756 58.200 0.014 0.000 0.942 263 S CB -1.181 62.069 63.200 0.084 0.000 0.766 263 S HN 0.569 nan 8.310 nan 0.000 0.536 264 Y N -0.397 120.021 120.300 0.196 0.000 2.457 264 Y HA 0.517 5.067 4.550 -0.000 0.000 0.263 264 Y C 1.499 177.484 175.900 0.141 0.000 1.164 264 Y CA -1.008 57.215 58.100 0.205 0.000 1.274 264 Y CB -0.532 38.038 38.460 0.183 0.000 1.097 264 Y HN 0.144 nan 8.280 nan 0.000 0.523 265 L N 0.635 121.916 121.223 0.098 0.000 2.109 265 L HA 0.235 4.575 4.340 -0.000 0.000 0.207 265 L C 0.908 177.847 176.870 0.115 0.000 1.086 265 L CA 0.897 55.804 54.840 0.112 0.000 0.760 265 L CB -0.230 41.758 42.059 -0.118 0.000 0.910 265 L HN 0.396 nan 8.230 nan 0.000 0.437 266 A N -1.386 121.488 122.820 0.089 0.000 2.594 266 A HA 0.627 4.946 4.320 -0.000 0.000 0.296 266 A C -2.679 175.057 177.584 0.253 0.000 1.061 266 A CA -0.997 51.088 52.037 0.081 0.000 0.689 266 A CB 0.866 19.638 19.000 -0.379 0.000 1.280 266 A HN -0.202 nan 8.150 nan 0.000 0.406 267 P HA 0.334 nan 4.420 nan 0.000 0.272 267 P C -0.737 176.815 177.300 0.419 0.000 1.240 267 P CA 0.030 63.283 63.100 0.254 0.000 0.791 267 P CB 0.389 32.185 31.700 0.160 0.000 0.978 268 Q N -0.093 119.909 119.800 0.338 0.000 2.647 268 Q HA 0.212 4.552 4.340 -0.000 0.000 0.400 268 Q C -0.281 175.879 176.000 0.267 0.000 0.959 268 Q CA -0.273 55.747 55.803 0.362 0.000 1.079 268 Q CB 0.162 29.020 28.738 0.200 0.000 1.351 268 Q HN 0.505 nan 8.270 nan 0.000 0.411 269 T N -2.866 111.794 114.554 0.177 0.000 2.944 269 T HA 0.539 4.889 4.350 -0.000 0.000 0.284 269 T C -2.566 171.969 174.700 -0.274 0.000 1.010 269 T CA -2.493 59.620 62.100 0.022 0.000 1.025 269 T CB 1.273 70.148 68.868 0.011 0.000 1.079 269 T HN -0.078 nan 8.240 nan 0.000 0.516 270 P HA 0.088 nan 4.420 nan 0.000 0.264 270 P C -0.122 176.719 177.300 -0.764 0.000 1.193 270 P CA 0.012 62.427 63.100 -1.142 0.000 0.763 270 P CB 0.002 31.402 31.700 -0.500 0.000 0.810 271 H N 0.460 118.808 119.070 -1.203 0.000 2.732 271 H HA 0.147 4.703 4.556 -0.000 0.000 0.351 271 H C 0.973 176.159 175.328 -0.238 0.000 1.090 271 H CA -0.548 55.245 56.048 -0.425 0.000 1.431 271 H CB 0.758 30.451 29.762 -0.115 0.000 1.447 271 H HN 0.478 nan 8.280 nan 0.000 0.582 272 S N 2.842 118.546 115.700 0.006 0.000 2.579 272 S HA 0.002 4.472 4.470 -0.000 0.000 0.275 272 S C 1.485 176.152 174.600 0.113 0.000 1.345 272 S CA -0.759 57.476 58.200 0.057 0.000 1.031 272 S CB 0.633 63.874 63.200 0.069 0.000 0.892 272 S HN 0.578 nan 8.310 nan 0.000 0.529 273 L N 1.022 122.330 121.223 0.143 0.000 2.131 273 L HA -0.107 4.233 4.340 -0.000 0.000 0.210 273 L C 2.982 179.951 176.870 0.165 0.000 1.092 273 L CA 1.748 56.685 54.840 0.161 0.000 0.759 273 L CB -0.635 41.542 42.059 0.197 0.000 0.903 273 L HN 0.832 nan 8.230 nan 0.000 0.435 274 R N 0.691 121.294 120.500 0.172 0.000 2.091 274 R HA -0.189 4.151 4.340 -0.000 0.000 0.238 274 R C 2.317 178.742 176.300 0.208 0.000 1.136 274 R CA 1.601 57.815 56.100 0.190 0.000 0.959 274 R CB -0.230 30.149 30.300 0.131 0.000 0.856 274 R HN 0.325 nan 8.270 nan 0.000 0.437 275 A N 0.474 123.388 122.820 0.158 0.000 1.968 275 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 275 A C 2.025 179.708 177.584 0.166 0.000 1.169 275 A CA 1.146 53.279 52.037 0.160 0.000 0.638 275 A CB -0.318 18.746 19.000 0.106 0.000 0.812 275 A HN 0.508 nan 8.150 nan 0.000 0.446 276 Q N -0.758 119.135 119.800 0.154 0.000 2.050 276 Q HA -0.193 4.147 4.340 -0.000 0.000 0.202 276 Q C 2.251 178.273 176.000 0.036 0.000 0.980 276 Q CA 1.389 57.252 55.803 0.101 0.000 0.840 276 Q CB -0.212 28.591 28.738 0.110 0.000 0.898 276 Q HN 0.600 nan 8.270 nan 0.000 0.424 277 Q N 0.089 119.927 119.800 0.065 0.000 2.124 277 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 277 Q C 2.218 178.175 176.000 -0.072 0.000 0.977 277 Q CA 1.264 57.069 55.803 0.004 0.000 0.850 277 Q CB -0.370 28.408 28.738 0.067 0.000 0.901 277 Q HN 0.250 nan 8.270 nan 0.000 0.429 278 S N -0.028 115.704 115.700 0.052 0.000 2.359 278 S HA -0.132 4.338 4.470 -0.000 0.000 0.224 278 S C 2.071 176.611 174.600 -0.099 0.000 1.035 278 S CA 1.448 59.645 58.200 -0.004 0.000 1.018 278 S CB -0.129 63.246 63.200 0.291 0.000 0.876 278 S HN 0.202 nan 8.310 nan 0.000 0.448 279 V N 1.993 121.895 119.914 -0.020 0.000 2.343 279 V HA -0.140 3.980 4.120 -0.000 0.000 0.247 279 V C 2.702 178.674 176.094 -0.204 0.000 1.051 279 V CA 2.085 64.363 62.300 -0.037 0.000 1.036 279 V CB -0.729 31.073 31.823 -0.035 0.000 0.654 279 V HN 0.432 nan 8.190 nan 0.000 0.451 280 R N -0.455 119.923 120.500 -0.204 0.000 2.081 280 R HA -0.074 4.266 4.340 -0.000 0.000 0.235 280 R C 2.299 178.452 176.300 -0.245 0.000 1.131 280 R CA 1.341 57.312 56.100 -0.214 0.000 0.960 280 R CB -0.410 29.787 30.300 -0.170 0.000 0.856 280 R HN 0.412 nan 8.270 nan 0.000 0.436 281 L N -0.098 120.949 121.223 -0.295 0.000 2.083 281 L HA -0.179 4.161 4.340 -0.000 0.000 0.209 281 L C 2.494 179.149 176.870 -0.357 0.000 1.083 281 L CA 0.939 55.578 54.840 -0.336 0.000 0.752 281 L CB -0.245 41.535 42.059 -0.466 0.000 0.899 281 L HN 0.211 nan 8.230 nan 0.000 0.433 282 M N -0.566 118.744 119.600 -0.485 0.000 2.134 282 M HA -0.096 4.384 4.480 -0.000 0.000 0.262 282 M C 2.758 178.691 176.300 -0.612 0.000 1.076 282 M CA 1.948 56.837 55.300 -0.684 0.000 1.143 282 M CB -1.109 30.704 32.600 -1.312 0.000 1.346 282 M HN 0.366 nan 8.290 nan 0.000 0.421 283 S N 0.194 115.574 115.700 -0.533 0.000 2.382 283 S HA -0.137 4.333 4.470 -0.000 0.000 0.228 283 S C 1.589 176.162 174.600 -0.044 0.000 1.027 283 S CA 1.271 59.404 58.200 -0.112 0.000 0.991 283 S CB -0.626 62.642 63.200 0.112 0.000 0.823 283 S HN 0.561 nan 8.310 nan 0.000 0.469 284 E N 1.300 121.437 120.200 -0.104 0.000 2.481 284 E HA 0.173 4.523 4.350 -0.000 0.000 0.195 284 E C -0.110 176.446 176.600 -0.072 0.000 1.047 284 E CA -0.009 56.350 56.400 -0.068 0.000 0.867 284 E CB 0.055 29.701 29.700 -0.089 0.000 0.858 284 E HN 0.530 nan 8.360 nan 0.000 0.513 285 N N 1.033 119.674 118.700 -0.098 0.000 2.370 285 N HA 0.260 5.000 4.740 -0.000 0.000 0.303 285 N C -1.142 174.336 175.510 -0.052 0.000 1.103 285 N CA -0.296 52.706 53.050 -0.080 0.000 0.848 285 N CB 2.015 40.441 38.487 -0.101 0.000 1.235 285 N HN -0.075 nan 8.380 nan 0.000 0.496 286 D N -1.070 119.309 120.400 -0.036 0.000 2.579 286 D HA 0.202 4.841 4.640 -0.000 0.000 0.257 286 D C -1.131 175.155 176.300 -0.024 0.000 1.176 286 D CA -0.224 53.764 54.000 -0.019 0.000 0.914 286 D CB 1.345 42.139 40.800 -0.009 0.000 1.431 286 D HN 0.495 nan 8.370 nan 0.000 0.454 287 D N 0.485 120.873 120.400 -0.020 0.000 2.708 287 D HA -0.176 4.464 4.640 -0.000 0.000 0.236 287 D C -0.918 175.363 176.300 -0.033 0.000 1.146 287 D CA 0.490 54.475 54.000 -0.025 0.000 0.662 287 D CB -0.940 39.846 40.800 -0.023 0.000 1.059 287 D HN 0.322 nan 8.370 nan 0.000 0.428 288 L N 0.598 121.800 121.223 -0.036 0.000 2.455 288 L HA 0.253 4.592 4.340 -0.000 0.000 0.272 288 L C 1.506 178.342 176.870 -0.057 0.000 1.174 288 L CA 0.451 55.267 54.840 -0.039 0.000 0.869 288 L CB 0.721 42.761 42.059 -0.033 0.000 1.130 288 L HN 0.258 nan 8.230 nan 0.000 0.474 289 T N -0.257 114.270 114.554 -0.046 0.000 2.927 289 T HA 0.244 4.594 4.350 -0.000 0.000 0.281 289 T C 0.826 175.495 174.700 -0.052 0.000 0.998 289 T CA -0.907 61.159 62.100 -0.057 0.000 1.019 289 T CB 1.586 70.425 68.868 -0.049 0.000 1.061 289 T HN 0.432 nan 8.240 nan 0.000 0.518 290 L N 0.789 121.969 121.223 -0.072 0.000 2.042 290 L HA -0.000 4.340 4.340 -0.000 0.000 0.210 290 L C 2.394 179.243 176.870 -0.034 0.000 1.076 290 L CA 1.951 56.759 54.840 -0.053 0.000 0.749 290 L CB -1.232 40.790 42.059 -0.062 0.000 0.893 290 L HN 0.830 nan 8.230 nan 0.000 0.432 291 E N -0.535 119.616 120.200 -0.082 0.000 2.058 291 E HA -0.266 4.083 4.350 -0.000 0.000 0.194 291 E C 2.340 178.885 176.600 -0.092 0.000 0.997 291 E CA 1.593 57.922 56.400 -0.119 0.000 0.801 291 E CB -0.283 29.354 29.700 -0.106 0.000 0.746 291 E HN 0.303 nan 8.360 nan 0.000 0.450 292 R N -0.125 120.344 120.500 -0.052 0.000 2.075 292 R HA -0.087 4.253 4.340 -0.000 0.000 0.232 292 R C 1.979 178.263 176.300 -0.027 0.000 1.126 292 R CA 1.092 57.162 56.100 -0.049 0.000 0.963 292 R CB -0.863 29.413 30.300 -0.039 0.000 0.858 292 R HN 0.222 nan 8.270 nan 0.000 0.435 293 F N 0.549 120.402 119.950 -0.161 0.000 2.069 293 F HA -0.212 4.315 4.527 -0.000 0.000 0.298 293 F C 1.979 177.657 175.800 -0.202 0.000 1.113 293 F CA 2.092 59.989 58.000 -0.172 0.000 1.214 293 F CB -0.320 38.588 39.000 -0.153 0.000 0.978 293 F HN 0.023 nan 8.300 nan 0.000 0.474 294 M N -0.276 119.237 119.600 -0.145 0.000 2.108 294 M HA -0.237 4.243 4.480 -0.000 0.000 0.261 294 M C 2.416 178.546 176.300 -0.283 0.000 1.066 294 M CA 1.916 57.016 55.300 -0.333 0.000 1.107 294 M CB -0.807 31.560 32.600 -0.389 0.000 1.356 294 M HN 0.287 nan 8.290 nan 0.000 0.406 295 A N 0.271 122.972 122.820 -0.199 0.000 1.930 295 A HA -0.099 4.220 4.320 -0.000 0.000 0.217 295 A C 2.086 179.556 177.584 -0.190 0.000 1.175 295 A CA 1.285 53.227 52.037 -0.157 0.000 0.627 295 A CB -0.880 18.046 19.000 -0.123 0.000 0.815 295 A HN 0.455 nan 8.150 nan 0.000 0.443 296 L N -0.710 120.370 121.223 -0.239 0.000 2.131 296 L HA -0.211 4.128 4.340 -0.000 0.000 0.210 296 L C 2.853 179.509 176.870 -0.358 0.000 1.092 296 L CA 1.386 56.041 54.840 -0.307 0.000 0.759 296 L CB -0.424 41.429 42.059 -0.344 0.000 0.903 296 L HN 0.485 nan 8.230 nan 0.000 0.435 297 Q N 0.739 120.337 119.800 -0.336 0.000 2.170 297 Q HA -0.178 4.162 4.340 -0.000 0.000 0.203 297 Q C 2.078 178.115 176.000 0.063 0.000 0.976 297 Q CA 1.378 57.101 55.803 -0.132 0.000 0.858 297 Q CB -0.096 28.519 28.738 -0.205 0.000 0.907 297 Q HN 0.556 nan 8.270 nan 0.000 0.433 298 L N 1.048 122.255 121.223 -0.026 0.000 2.622 298 L HA 0.011 4.350 4.340 -0.000 0.000 0.233 298 L C 0.814 177.655 176.870 -0.048 0.000 1.156 298 L CA -0.262 54.600 54.840 0.036 0.000 0.866 298 L CB -0.189 41.888 42.059 0.030 0.000 0.980 298 L HN -0.107 nan 8.230 nan 0.000 0.448 299 S N 0.645 116.295 115.700 -0.083 0.000 2.575 299 S HA -0.014 4.456 4.470 -0.000 0.000 0.295 299 S C 0.397 175.012 174.600 0.026 0.000 1.267 299 S CA 0.030 58.135 58.200 -0.158 0.000 1.074 299 S CB -0.082 63.034 63.200 -0.140 0.000 0.829 299 S HN 0.459 nan 8.310 nan 0.000 0.497 300 H N 0.362 119.513 119.070 0.135 0.000 2.779 300 H HA 0.525 5.081 4.556 -0.000 0.000 0.230 300 H C -0.457 174.980 175.328 0.182 0.000 1.365 300 H CA -0.832 55.357 56.048 0.235 0.000 1.086 300 H CB -0.408 29.517 29.762 0.272 0.000 2.038 300 H HN 0.334 nan 8.280 nan 0.000 0.558 301 R N 1.299 121.926 120.500 0.210 0.000 2.438 301 R HA 0.592 4.932 4.340 -0.000 0.000 0.287 301 R C 0.075 176.366 176.300 -0.016 0.000 1.077 301 R CA 0.033 56.132 56.100 -0.002 0.000 1.034 301 R CB 0.537 30.803 30.300 -0.058 0.000 0.993 301 R HN 0.537 nan 8.270 nan 0.000 0.459 302 A N 5.024 127.599 122.820 -0.409 0.000 3.037 302 A HA 0.162 4.482 4.320 -0.000 0.000 0.272 302 A C 0.980 178.455 177.584 -0.182 0.000 1.723 302 A CA -0.489 51.348 52.037 -0.334 0.000 1.413 302 A CB -0.435 18.056 19.000 -0.848 0.000 1.112 302 A HN 0.713 nan 8.150 nan 0.000 0.606 303 V N 1.614 121.540 119.914 0.020 0.000 2.469 303 V HA -0.326 3.794 4.120 -0.000 0.000 0.251 303 V C 2.435 178.607 176.094 0.130 0.000 1.064 303 V CA 2.436 64.764 62.300 0.046 0.000 1.066 303 V CB -0.801 31.085 31.823 0.104 0.000 0.667 303 V HN 0.932 nan 8.190 nan 0.000 0.461 304 M N -0.251 119.511 119.600 0.270 0.000 2.229 304 M HA -0.136 4.344 4.480 -0.000 0.000 0.264 304 M C 2.179 178.733 176.300 0.424 0.000 1.063 304 M CA 1.841 57.419 55.300 0.464 0.000 1.114 304 M CB -0.242 32.766 32.600 0.680 0.000 1.387 304 M HN 0.395 nan 8.290 nan 0.000 0.420 305 A N 0.378 123.219 122.820 0.036 0.000 1.933 305 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 305 A C 1.635 179.142 177.584 -0.129 0.000 1.175 305 A CA 2.021 53.865 52.037 -0.321 0.000 0.628 305 A CB -0.845 17.562 19.000 -0.988 0.000 0.814 305 A HN 0.516 nan 8.150 nan 0.000 0.444 306 D N -0.508 119.829 120.400 -0.106 0.000 2.182 306 D HA -0.124 4.515 4.640 -0.000 0.000 0.201 306 D C 1.930 178.306 176.300 0.127 0.000 0.986 306 D CA 0.888 54.876 54.000 -0.021 0.000 0.847 306 D CB -0.204 40.582 40.800 -0.023 0.000 0.942 306 D HN 0.295 nan 8.370 nan 0.000 0.467 307 R N -0.043 120.571 120.500 0.190 0.000 2.200 307 R HA 0.035 4.375 4.340 -0.000 0.000 0.208 307 R C 1.997 178.316 176.300 0.032 0.000 1.033 307 R CA 0.900 57.141 56.100 0.235 0.000 1.000 307 R CB -0.296 30.211 30.300 0.344 0.000 0.906 307 R HN 0.351 nan 8.270 nan 0.000 0.462 308 T N -3.115 111.496 114.554 0.095 0.000 2.987 308 T HA 0.221 4.571 4.350 -0.000 0.000 0.248 308 T C 1.996 176.629 174.700 -0.111 0.000 0.997 308 T CA -0.291 61.800 62.100 -0.014 0.000 1.013 308 T CB -0.165 68.745 68.868 0.069 0.000 1.077 308 T HN -0.047 nan 8.240 nan 0.000 0.483 309 L N 1.268 122.446 121.223 -0.076 0.000 2.131 309 L HA 0.064 4.404 4.340 -0.000 0.000 0.210 309 L C -0.619 176.198 176.870 -0.089 0.000 1.092 309 L CA 1.254 56.022 54.840 -0.120 0.000 0.759 309 L CB -1.572 40.426 42.059 -0.103 0.000 0.903 309 L HN 0.240 nan 8.230 nan 0.000 0.435 310 P HA -0.160 nan 4.420 nan 0.000 0.216 310 P C 0.813 178.104 177.300 -0.015 0.000 1.153 310 P CA 1.424 64.524 63.100 0.000 0.000 0.858 310 P CB 0.047 31.799 31.700 0.088 0.000 0.789 311 D N -1.661 118.711 120.400 -0.045 0.000 2.240 311 D HA -0.031 4.609 4.640 -0.000 0.000 0.206 311 D C 1.805 178.062 176.300 -0.071 0.000 0.963 311 D CA 0.492 54.468 54.000 -0.040 0.000 0.863 311 D CB -0.758 40.019 40.800 -0.038 0.000 0.973 311 D HN 0.042 nan 8.370 nan 0.000 0.501 312 L N 0.790 121.928 121.223 -0.142 0.000 2.072 312 L HA -0.082 4.258 4.340 -0.000 0.000 0.205 312 L C 1.853 178.624 176.870 -0.165 0.000 1.079 312 L CA 1.160 55.873 54.840 -0.211 0.000 0.752 312 L CB -0.309 41.470 42.059 -0.466 0.000 0.906 312 L HN -0.110 nan 8.230 nan 0.000 0.436 313 I N 0.901 121.389 120.570 -0.137 0.000 2.113 313 I HA -0.157 4.013 4.170 -0.000 0.000 0.238 313 I C -0.159 175.921 176.117 -0.062 0.000 1.070 313 I CA 1.606 62.847 61.300 -0.097 0.000 1.332 313 I CB -2.952 35.005 38.000 -0.073 0.000 1.044 313 I HN 0.252 nan 8.210 nan 0.000 0.402 314 P HA -0.120 nan 4.420 nan 0.000 0.217 314 P C 1.607 178.894 177.300 -0.021 0.000 1.150 314 P CA 2.078 65.163 63.100 -0.025 0.000 0.832 314 P CB -0.027 31.665 31.700 -0.013 0.000 0.787 315 A N 0.576 123.381 122.820 -0.025 0.000 1.902 315 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 315 A C 2.482 180.055 177.584 -0.018 0.000 1.181 315 A CA 2.289 54.318 52.037 -0.014 0.000 0.623 315 A CB -1.527 17.468 19.000 -0.008 0.000 0.818 315 A HN 0.242 nan 8.150 nan 0.000 0.443 316 A N -0.558 122.238 122.820 -0.040 0.000 1.968 316 A HA 0.088 4.408 4.320 -0.000 0.000 0.217 316 A C 2.058 179.627 177.584 -0.024 0.000 1.169 316 A CA 1.224 53.239 52.037 -0.038 0.000 0.638 316 A CB -0.494 18.463 19.000 -0.072 0.000 0.812 316 A HN 0.455 nan 8.150 nan 0.000 0.446 317 L N -0.520 120.688 121.223 -0.025 0.000 2.275 317 L HA -0.055 4.285 4.340 -0.000 0.000 0.215 317 L C 2.104 178.969 176.870 -0.008 0.000 1.119 317 L CA 0.573 55.403 54.840 -0.017 0.000 0.790 317 L CB -0.305 41.744 42.059 -0.017 0.000 0.919 317 L HN 0.371 nan 8.230 nan 0.000 0.443 318 I N -0.575 119.992 120.570 -0.006 0.000 2.676 318 I HA -0.168 4.002 4.170 -0.000 0.000 0.259 318 I C 0.698 176.817 176.117 0.003 0.000 1.194 318 I CA 0.381 61.681 61.300 0.000 0.000 1.473 318 I CB -0.105 37.898 38.000 0.004 0.000 1.096 318 I HN 0.212 nan 8.210 nan 0.000 0.443 319 D N 1.162 121.563 120.400 0.003 0.000 2.424 319 D HA 0.012 4.652 4.640 -0.000 0.000 0.244 319 D C -1.344 174.959 176.300 0.005 0.000 1.134 319 D CA -1.305 52.699 54.000 0.007 0.000 0.881 319 D CB 1.078 41.883 40.800 0.008 0.000 1.191 319 D HN -0.029 nan 8.370 nan 0.000 0.445 320 P HA -0.066 nan 4.420 nan 0.000 0.223 320 P C -0.077 177.227 177.300 0.006 0.000 1.151 320 P CA 0.359 63.463 63.100 0.006 0.000 0.787 320 P CB 0.133 31.837 31.700 0.008 0.000 0.788 321 D N 1.101 121.505 120.400 0.008 0.000 2.382 321 D HA 0.030 4.669 4.640 -0.000 0.000 0.259 321 D C -1.481 174.822 176.300 0.005 0.000 1.224 321 D CA -1.934 52.071 54.000 0.008 0.000 0.894 321 D CB 1.003 41.810 40.800 0.012 0.000 1.127 321 D HN 0.015 nan 8.370 nan 0.000 0.487 322 P HA -0.067 nan 4.420 nan 0.000 0.222 322 P C 1.017 178.318 177.300 0.002 0.000 1.147 322 P CA 0.679 63.780 63.100 0.002 0.000 0.790 322 P CB 0.420 32.121 31.700 0.002 0.000 0.780 323 E N -0.465 119.738 120.200 0.005 0.000 2.107 323 E HA -0.077 4.273 4.350 -0.000 0.000 0.191 323 E C 1.837 178.440 176.600 0.005 0.000 0.982 323 E CA 0.781 57.184 56.400 0.006 0.000 0.809 323 E CB -0.179 29.527 29.700 0.011 0.000 0.756 323 E HN -0.002 nan 8.360 nan 0.000 0.459 324 V N 1.296 121.214 119.914 0.006 0.000 2.427 324 V HA -0.273 3.846 4.120 -0.000 0.000 0.248 324 V C 2.223 178.311 176.094 -0.009 0.000 1.051 324 V CA 1.693 63.994 62.300 0.002 0.000 1.048 324 V CB -0.436 31.391 31.823 0.006 0.000 0.666 324 V HN 0.269 nan 8.190 nan 0.000 0.456 325 Q N -0.068 119.728 119.800 -0.007 0.000 2.084 325 Q HA -0.161 4.179 4.340 -0.000 0.000 0.202 325 Q C 2.421 178.414 176.000 -0.013 0.000 0.978 325 Q CA 1.823 57.619 55.803 -0.011 0.000 0.844 325 Q CB -0.418 28.315 28.738 -0.007 0.000 0.898 325 Q HN 0.669 nan 8.270 nan 0.000 0.426 326 A N 0.930 123.745 122.820 -0.009 0.000 1.930 326 A HA -0.061 4.259 4.320 -0.000 0.000 0.217 326 A C 2.264 179.841 177.584 -0.013 0.000 1.175 326 A CA 1.412 53.444 52.037 -0.009 0.000 0.627 326 A CB -0.664 18.332 19.000 -0.006 0.000 0.815 326 A HN 0.388 nan 8.150 nan 0.000 0.443 327 A N -0.007 122.806 122.820 -0.013 0.000 1.902 327 A HA 0.177 4.497 4.320 -0.000 0.000 0.217 327 A C 2.495 180.062 177.584 -0.029 0.000 1.181 327 A CA 1.975 54.002 52.037 -0.017 0.000 0.623 327 A CB -0.987 18.007 19.000 -0.009 0.000 0.818 327 A HN 1.014 nan 8.150 nan 0.000 0.443 328 A N -0.178 122.621 122.820 -0.035 0.000 1.902 328 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 328 A C 2.253 179.820 177.584 -0.029 0.000 1.181 328 A CA 1.502 53.511 52.037 -0.047 0.000 0.623 328 A CB -0.446 18.524 19.000 -0.049 0.000 0.818 328 A HN 0.548 nan 8.150 nan 0.000 0.443 329 R N -1.268 119.221 120.500 -0.020 0.000 2.115 329 R HA -0.028 4.311 4.340 -0.000 0.000 0.226 329 R C 2.082 178.380 176.300 -0.004 0.000 1.100 329 R CA 1.183 57.276 56.100 -0.012 0.000 0.980 329 R CB -0.495 29.799 30.300 -0.011 0.000 0.875 329 R HN 0.496 nan 8.270 nan 0.000 0.445 330 L N 1.167 122.385 121.223 -0.010 0.000 2.017 330 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 330 L C 1.955 178.831 176.870 0.011 0.000 1.073 330 L CA 1.626 56.459 54.840 -0.012 0.000 0.745 330 L CB -0.289 41.750 42.059 -0.034 0.000 0.894 330 L HN 0.090 nan 8.230 nan 0.000 0.432 331 L N -0.647 120.585 121.223 0.015 0.000 2.141 331 L HA -0.133 4.207 4.340 -0.000 0.000 0.209 331 L C 2.621 179.560 176.870 0.114 0.000 1.094 331 L CA 1.040 55.930 54.840 0.084 0.000 0.763 331 L CB -0.868 41.223 42.059 0.053 0.000 0.908 331 L HN 0.368 nan 8.230 nan 0.000 0.437 332 A N -0.145 122.699 122.820 0.040 0.000 1.968 332 A HA -0.017 4.303 4.320 -0.000 0.000 0.217 332 A C 2.386 179.983 177.584 0.023 0.000 1.169 332 A CA 1.431 53.476 52.037 0.013 0.000 0.638 332 A CB -0.459 18.535 19.000 -0.010 0.000 0.812 332 A HN 0.370 nan 8.150 nan 0.000 0.446 333 A N -2.024 120.824 122.820 0.047 0.000 2.178 333 A HA 0.185 4.505 4.320 -0.000 0.000 0.211 333 A C 0.674 178.316 177.584 0.096 0.000 1.157 333 A CA -0.139 51.924 52.037 0.044 0.000 0.780 333 A CB -0.389 18.629 19.000 0.030 0.000 0.828 333 A HN 0.645 nan 8.150 nan 0.000 0.476 334 W N 2.710 123.948 121.300 -0.103 0.000 2.216 334 W HA 0.301 4.961 4.660 -0.000 0.000 0.326 334 W C 0.318 176.744 176.519 -0.154 0.000 1.319 334 W CA -0.454 56.811 57.345 -0.133 0.000 1.213 334 W CB 0.647 30.011 29.460 -0.160 0.000 1.171 334 W HN 0.403 nan 8.180 nan 0.000 0.557 335 D N 3.767 124.004 120.400 -0.272 0.000 2.363 335 D HA -0.125 4.515 4.640 -0.000 0.000 0.226 335 D C 0.640 176.443 176.300 -0.828 0.000 1.020 335 D CA 0.309 54.054 54.000 -0.425 0.000 0.892 335 D CB -0.227 40.441 40.800 -0.221 0.000 0.900 335 D HN 0.662 nan 8.370 nan 0.000 0.531 336 R N -0.794 118.606 120.500 -1.833 0.000 3.776 336 R HA -0.108 4.232 4.340 -0.000 0.000 0.312 336 R C -0.849 174.635 176.300 -1.360 0.000 1.181 336 R CA 0.803 55.571 56.100 -2.219 0.000 0.836 336 R CB -1.759 27.783 30.300 -1.262 0.000 1.324 336 R HN 0.318 nan 8.270 nan 0.000 0.501 337 E N 0.309 119.970 120.200 -0.899 0.000 2.183 337 E HA 0.193 4.543 4.350 -0.000 0.000 0.271 337 E C -0.253 176.164 176.600 -0.306 0.000 0.919 337 E CA -0.725 55.439 56.400 -0.392 0.000 0.781 337 E CB 0.613 30.259 29.700 -0.090 0.000 1.140 337 E HN 0.074 nan 8.360 nan 0.000 0.402 338 F N 1.985 121.815 119.950 -0.200 0.000 2.678 338 F HA 0.035 4.562 4.527 -0.000 0.000 0.358 338 F C 1.223 176.545 175.800 -0.797 0.000 1.256 338 F CA -0.317 57.323 58.000 -0.601 0.000 1.278 338 F CB -0.215 38.486 39.000 -0.499 0.000 1.681 338 F HN 0.121 nan 8.300 nan 0.000 0.661 339 T N -3.129 111.182 114.554 -0.405 0.000 2.918 339 T HA 0.183 4.533 4.350 -0.000 0.000 0.283 339 T C 1.350 176.011 174.700 -0.064 0.000 1.001 339 T CA -0.826 61.127 62.100 -0.246 0.000 1.041 339 T CB 1.749 70.556 68.868 -0.102 0.000 1.028 339 T HN 0.261 nan 8.240 nan 0.000 0.511 340 S N 1.289 117.014 115.700 0.042 0.000 2.387 340 S HA -0.151 4.318 4.470 -0.000 0.000 0.230 340 S C 1.548 176.189 174.600 0.068 0.000 1.035 340 S CA 1.676 59.938 58.200 0.103 0.000 1.014 340 S CB -0.520 62.705 63.200 0.041 0.000 0.836 340 S HN 0.993 nan 8.310 nan 0.000 0.466 341 D N 0.605 121.022 120.400 0.029 0.000 2.328 341 D HA 0.129 4.769 4.640 -0.000 0.000 0.221 341 D C 0.292 176.595 176.300 0.006 0.000 1.072 341 D CA -0.049 53.959 54.000 0.013 0.000 0.850 341 D CB -0.305 40.499 40.800 0.007 0.000 0.922 341 D HN 0.130 nan 8.370 nan 0.000 0.516 342 S N 0.179 115.883 115.700 0.006 0.000 2.510 342 S HA 0.167 4.636 4.470 -0.000 0.000 0.279 342 S C 1.072 175.606 174.600 -0.110 0.000 1.284 342 S CA -0.568 57.602 58.200 -0.051 0.000 1.059 342 S CB 0.641 63.784 63.200 -0.095 0.000 0.901 342 S HN 0.158 nan 8.310 nan 0.000 0.491 343 R N 3.360 123.767 120.500 -0.156 0.000 2.254 343 R HA 0.145 4.484 4.340 -0.000 0.000 0.195 343 R C 1.752 177.905 176.300 -0.246 0.000 0.957 343 R CA 0.833 56.842 56.100 -0.152 0.000 1.024 343 R CB -0.035 30.207 30.300 -0.095 0.000 0.952 343 R HN 0.670 nan 8.270 nan 0.000 0.484 344 A N 0.635 123.171 122.820 -0.473 0.000 2.169 344 A HA 0.270 4.590 4.320 -0.000 0.000 0.210 344 A C 2.100 179.212 177.584 -0.787 0.000 1.168 344 A CA 0.659 52.327 52.037 -0.614 0.000 0.813 344 A CB 0.102 18.679 19.000 -0.705 0.000 0.861 344 A HN 0.241 nan 8.150 nan 0.000 0.481 345 A N 0.339 122.651 122.820 -0.848 0.000 1.930 345 A HA -0.007 4.313 4.320 -0.000 0.000 0.217 345 A C 2.055 179.667 177.584 0.047 0.000 1.175 345 A CA 1.361 53.074 52.037 -0.540 0.000 0.627 345 A CB -0.547 18.344 19.000 -0.181 0.000 0.815 345 A HN 0.450 nan 8.150 nan 0.000 0.443 346 L N -1.023 120.212 121.223 0.020 0.000 2.017 346 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 346 L C 2.564 179.474 176.870 0.066 0.000 1.073 346 L CA 1.310 56.132 54.840 -0.031 0.000 0.745 346 L CB -0.611 41.201 42.059 -0.413 0.000 0.894 346 L HN 0.487 nan 8.230 nan 0.000 0.432 347 L N -0.448 120.786 121.223 0.017 0.000 2.042 347 L HA -0.261 4.079 4.340 -0.000 0.000 0.210 347 L C 2.375 179.346 176.870 0.168 0.000 1.076 347 L CA 1.772 56.662 54.840 0.083 0.000 0.749 347 L CB -0.732 41.340 42.059 0.022 0.000 0.893 347 L HN 0.129 nan 8.230 nan 0.000 0.432 348 F N 0.637 120.596 119.950 0.015 0.000 2.134 348 F HA -0.195 4.331 4.527 -0.000 0.000 0.299 348 F C 2.292 178.296 175.800 0.341 0.000 1.097 348 F CA 1.989 60.092 58.000 0.172 0.000 1.264 348 F CB -0.283 38.782 39.000 0.109 0.000 1.001 348 F HN 0.255 nan 8.300 nan 0.000 0.479 349 E N -0.102 120.281 120.200 0.305 0.000 2.058 349 E HA -0.236 4.114 4.350 -0.000 0.000 0.194 349 E C 2.083 178.821 176.600 0.229 0.000 0.997 349 E CA 1.485 58.035 56.400 0.251 0.000 0.801 349 E CB -0.255 29.687 29.700 0.403 0.000 0.746 349 E HN 0.424 nan 8.360 nan 0.000 0.450 350 E N -0.037 120.303 120.200 0.234 0.000 2.153 350 E HA -0.191 4.159 4.350 -0.000 0.000 0.194 350 E C 1.618 178.306 176.600 0.147 0.000 0.988 350 E CA 0.708 57.229 56.400 0.203 0.000 0.811 350 E CB -0.289 29.534 29.700 0.205 0.000 0.746 350 E HN 0.438 nan 8.360 nan 0.000 0.466 351 W N 1.587 122.862 121.300 -0.042 0.000 2.409 351 W HA -0.058 4.602 4.660 -0.000 0.000 0.299 351 W C 2.333 178.811 176.519 -0.069 0.000 1.203 351 W CA 2.062 59.356 57.345 -0.085 0.000 1.298 351 W CB -0.325 29.040 29.460 -0.159 0.000 1.127 351 W HN 0.022 nan 8.180 nan 0.000 0.528 352 A N 0.827 123.494 122.820 -0.255 0.000 1.969 352 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 352 A C 2.002 179.618 177.584 0.053 0.000 1.169 352 A CA 1.594 53.489 52.037 -0.237 0.000 0.635 352 A CB -0.737 18.181 19.000 -0.136 0.000 0.810 352 A HN 0.389 nan 8.150 nan 0.000 0.445 353 R N -0.603 120.000 120.500 0.172 0.000 2.117 353 R HA -0.128 4.212 4.340 -0.000 0.000 0.243 353 R C 1.881 178.080 176.300 -0.168 0.000 1.143 353 R CA 1.658 57.732 56.100 -0.044 0.000 0.968 353 R CB -0.469 29.806 30.300 -0.042 0.000 0.863 353 R HN 0.540 nan 8.270 nan 0.000 0.444 354 L N -1.321 119.780 121.223 -0.204 0.000 2.127 354 L HA -0.043 4.297 4.340 -0.000 0.000 0.203 354 L C 2.208 178.897 176.870 -0.302 0.000 1.080 354 L CA 0.566 55.269 54.840 -0.228 0.000 0.768 354 L CB -0.355 41.587 42.059 -0.193 0.000 0.924 354 L HN 0.087 nan 8.230 nan 0.000 0.444 355 F N 1.036 120.580 119.950 -0.677 0.000 2.234 355 F HA -0.022 4.505 4.527 -0.000 0.000 0.299 355 F C 1.734 177.257 175.800 -0.463 0.000 1.087 355 F CA 1.100 58.660 58.000 -0.732 0.000 1.340 355 F CB 0.098 38.217 39.000 -1.469 0.000 1.031 355 F HN -0.043 nan 8.300 nan 0.000 0.500 356 A N -0.067 122.527 122.820 -0.377 0.000 2.605 356 A HA 0.599 4.919 4.320 -0.000 0.000 0.292 356 A C 0.744 178.230 177.584 -0.164 0.000 1.055 356 A CA 0.265 52.141 52.037 -0.270 0.000 0.969 356 A CB -0.847 18.161 19.000 0.014 0.000 1.236 356 A HN 0.915 nan 8.150 nan 0.000 0.534 357 G N -0.609 108.060 108.800 -0.218 0.000 2.781 357 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.683 357 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.683 357 G C 0.275 174.959 174.900 -0.360 0.000 1.390 357 G CA -0.092 44.870 45.100 -0.231 0.000 0.850 357 G HN 0.156 nan 8.290 nan 0.000 0.557 358 Q N 0.438 120.018 119.800 -0.368 0.000 2.291 358 Q HA -0.108 4.232 4.340 -0.000 0.000 0.206 358 Q C 2.264 177.804 176.000 -0.767 0.000 0.976 358 Q CA 1.884 57.377 55.803 -0.518 0.000 0.875 358 Q CB -0.201 28.348 28.738 -0.316 0.000 0.927 358 Q HN 0.826 nan 8.270 nan 0.000 0.450 359 N N -0.487 117.895 118.700 -0.530 0.000 2.336 359 N HA -0.088 4.652 4.740 -0.000 0.000 0.189 359 N C 0.025 175.381 175.510 -0.255 0.000 1.113 359 N CA -0.034 52.772 53.050 -0.406 0.000 0.858 359 N CB -0.515 37.870 38.487 -0.170 0.000 0.970 359 N HN 0.176 nan 8.380 nan 0.000 0.471 360 F N -1.550 118.358 119.950 -0.069 0.000 3.034 360 F HA -0.298 4.229 4.527 -0.000 0.000 0.286 360 F C 1.192 177.025 175.800 0.055 0.000 0.804 360 F CA 0.368 58.365 58.000 -0.004 0.000 1.161 360 F CB -1.757 37.268 39.000 0.042 0.000 1.317 360 F HN 0.326 nan 8.300 nan 0.000 0.453 361 A N 0.023 122.919 122.820 0.126 0.000 2.288 361 A HA 0.546 4.866 4.320 -0.000 0.000 0.216 361 A C 1.552 179.189 177.584 0.087 0.000 1.199 361 A CA 0.504 52.610 52.037 0.114 0.000 0.891 361 A CB -0.273 18.760 19.000 0.055 0.000 0.923 361 A HN 0.500 nan 8.150 nan 0.000 0.500 362 G N -0.596 108.221 108.800 0.029 0.000 2.432 362 G HA2 0.362 4.322 3.960 -0.000 0.000 0.239 362 G HA3 0.362 4.322 3.960 -0.000 0.000 0.239 362 G C 0.342 175.270 174.900 0.047 0.000 1.291 362 G CA -0.135 44.952 45.100 -0.021 0.000 0.863 362 G HN 0.217 nan 8.290 nan 0.000 0.560 363 Q N 1.244 121.088 119.800 0.073 0.000 2.280 363 Q HA 0.145 4.485 4.340 -0.000 0.000 0.228 363 Q C 2.316 178.405 176.000 0.149 0.000 0.857 363 Q CA 0.528 56.481 55.803 0.251 0.000 0.939 363 Q CB 0.831 29.695 28.738 0.211 0.000 1.114 363 Q HN 0.649 nan 8.270 nan 0.000 0.514 364 A N 0.648 123.437 122.820 -0.052 0.000 2.066 364 A HA 0.061 4.381 4.320 -0.000 0.000 0.218 364 A C 2.076 179.568 177.584 -0.154 0.000 1.157 364 A CA 1.398 53.396 52.037 -0.065 0.000 0.670 364 A CB -0.547 18.401 19.000 -0.086 0.000 0.804 364 A HN 0.356 nan 8.150 nan 0.000 0.453 365 G N -1.053 107.467 108.800 -0.467 0.000 2.484 365 G HA2 0.147 4.107 3.960 -0.000 0.000 0.218 365 G HA3 0.147 4.107 3.960 -0.000 0.000 0.218 365 G C 0.446 175.230 174.900 -0.194 0.000 1.130 365 G CA -0.061 44.647 45.100 -0.653 0.000 0.784 365 G HN 0.373 nan 8.290 nan 0.000 0.543 366 F N -0.335 119.672 119.950 0.094 0.000 2.382 366 F HA 0.493 5.020 4.527 -0.000 0.000 0.331 366 F C 1.489 177.387 175.800 0.162 0.000 1.121 366 F CA -0.258 57.882 58.000 0.234 0.000 1.183 366 F CB 1.584 40.714 39.000 0.217 0.000 1.207 366 F HN 0.033 nan 8.300 nan 0.000 0.555 367 A N 0.832 123.871 122.820 0.366 0.000 1.911 367 A HA 0.091 4.411 4.320 -0.000 0.000 0.212 367 A C 0.836 178.563 177.584 0.238 0.000 1.189 367 A CA 0.773 52.956 52.037 0.243 0.000 0.639 367 A CB -0.353 18.766 19.000 0.198 0.000 0.839 367 A HN 0.619 nan 8.150 nan 0.000 0.449 368 T N 2.787 117.510 114.554 0.281 0.000 2.772 368 T HA 0.500 4.850 4.350 -0.000 0.000 0.288 368 T C -2.808 172.013 174.700 0.201 0.000 0.994 368 T CA -1.248 60.987 62.100 0.224 0.000 0.951 368 T CB 1.831 70.847 68.868 0.247 0.000 0.933 368 T HN 0.167 nan 8.240 nan 0.000 0.447 369 P HA 0.135 nan 4.420 nan 0.000 0.274 369 P C -0.420 176.970 177.300 0.150 0.000 1.246 369 P CA -0.764 62.440 63.100 0.174 0.000 0.795 369 P CB 0.782 32.578 31.700 0.160 0.000 1.006 370 W N 1.839 123.143 121.300 0.006 0.000 2.193 370 W HA 0.269 4.929 4.660 -0.000 0.000 0.338 370 W C -0.031 176.493 176.519 0.009 0.000 1.310 370 W CA 1.250 58.588 57.345 -0.011 0.000 1.243 370 W CB 0.409 29.866 29.460 -0.004 0.000 1.165 370 W HN 0.281 nan 8.180 nan 0.000 0.566 371 S N 5.468 120.594 115.700 -0.957 0.000 2.548 371 S HA 0.211 4.681 4.470 -0.000 0.000 0.276 371 S C -0.009 173.671 174.600 -1.532 0.000 1.129 371 S CA -0.866 56.780 58.200 -0.923 0.000 0.931 371 S CB 1.126 64.069 63.200 -0.428 0.000 1.068 371 S HN 0.617 nan 8.310 nan 0.000 0.480 372 L N 3.541 124.034 121.223 -1.215 0.000 2.265 372 L HA 0.116 4.456 4.340 -0.000 0.000 0.215 372 L C 1.397 178.066 176.870 -0.336 0.000 1.117 372 L CA 1.961 56.370 54.840 -0.719 0.000 0.782 372 L CB -0.525 41.407 42.059 -0.211 0.000 0.914 372 L HN 0.726 nan 8.230 nan 0.000 0.441 373 D N -0.087 120.134 120.400 -0.298 0.000 2.312 373 D HA -0.073 4.567 4.640 -0.000 0.000 0.211 373 D C 0.681 176.913 176.300 -0.112 0.000 0.964 373 D CA 0.918 54.834 54.000 -0.140 0.000 0.877 373 D CB 0.158 40.888 40.800 -0.117 0.000 0.924 373 D HN 0.359 nan 8.370 nan 0.000 0.515 374 K N 0.578 120.830 120.400 -0.247 0.000 3.146 374 K HA 0.150 4.470 4.320 -0.000 0.000 0.168 374 K C -2.080 174.339 176.600 -0.301 0.000 1.075 374 K CA -0.947 55.223 56.287 -0.196 0.000 0.843 374 K CB 2.289 34.686 32.500 -0.171 0.000 1.002 374 K HN -0.081 nan 8.250 nan 0.000 0.597 375 P HA -0.084 nan 4.420 nan 0.000 0.233 375 P C 0.893 178.182 177.300 -0.019 0.000 1.167 375 P CA 0.834 63.804 63.100 -0.216 0.000 0.770 375 P CB 0.178 31.798 31.700 -0.133 0.000 0.837 376 V N -3.310 116.516 119.914 -0.146 0.000 3.427 376 V HA 0.317 4.437 4.120 -0.000 0.000 0.305 376 V C 1.242 177.304 176.094 -0.054 0.000 1.412 376 V CA 0.709 62.951 62.300 -0.096 0.000 1.086 376 V CB -0.619 31.064 31.823 -0.233 0.000 0.964 376 V HN 0.167 nan 8.190 nan 0.000 0.439 377 S N -0.504 115.164 115.700 -0.052 0.000 2.847 377 S HA 0.309 4.778 4.470 -0.000 0.000 0.254 377 S C 0.599 175.198 174.600 -0.002 0.000 1.039 377 S CA 0.410 58.589 58.200 -0.035 0.000 1.113 377 S CB 0.215 63.369 63.200 -0.077 0.000 1.092 377 S HN 0.839 nan 8.310 nan 0.000 0.620 378 T N 0.054 114.616 114.554 0.013 0.000 2.916 378 T HA 0.745 5.094 4.350 -0.000 0.000 0.292 378 T C -3.364 171.448 174.700 0.187 0.000 1.064 378 T CA -2.185 59.944 62.100 0.050 0.000 1.011 378 T CB 1.956 70.784 68.868 -0.066 0.000 1.152 378 T HN -0.033 nan 8.240 nan 0.000 0.510 379 P HA 0.366 nan 4.420 nan 0.000 0.279 379 P C -1.507 175.719 177.300 -0.122 0.000 1.282 379 P CA -0.343 62.671 63.100 -0.143 0.000 0.788 379 P CB 0.419 31.829 31.700 -0.484 0.000 1.139 380 Y N -1.605 118.666 120.300 -0.048 0.000 2.558 380 Y HA 0.471 5.021 4.550 -0.000 0.000 0.333 380 Y C -0.290 175.827 175.900 0.361 0.000 1.125 380 Y CA 0.603 58.798 58.100 0.158 0.000 1.039 380 Y CB 1.344 39.856 38.460 0.086 0.000 1.331 380 Y HN 1.003 nan 8.280 nan 0.000 0.456 381 G N 1.471 109.791 108.800 -0.800 0.000 2.730 381 G HA2 0.010 3.970 3.960 -0.000 0.000 0.686 381 G HA3 0.010 3.970 3.960 -0.000 0.000 0.686 381 G C -2.124 172.798 174.900 0.037 0.000 1.343 381 G CA -0.607 44.159 45.100 -0.556 0.000 0.826 381 G HN 1.138 nan 8.290 nan 0.000 0.582 382 V N 2.248 122.177 119.914 0.024 0.000 2.347 382 V HA 0.410 4.530 4.120 -0.000 0.000 0.280 382 V C 1.757 177.943 176.094 0.153 0.000 1.021 382 V CA 0.267 62.648 62.300 0.135 0.000 0.847 382 V CB 1.219 33.078 31.823 0.060 0.000 0.990 382 V HN 0.945 nan 8.190 nan 0.000 0.444 383 R N 2.596 123.212 120.500 0.193 0.000 2.091 383 R HA -0.111 4.229 4.340 -0.000 0.000 0.238 383 R C 0.512 176.882 176.300 0.117 0.000 1.136 383 R CA 1.639 57.826 56.100 0.145 0.000 0.959 383 R CB 0.289 30.667 30.300 0.129 0.000 0.856 383 R HN 0.763 nan 8.270 nan 0.000 0.437 384 D N -1.157 119.321 120.400 0.131 0.000 2.400 384 D HA 0.187 4.827 4.640 -0.000 0.000 0.272 384 D C -2.122 174.249 176.300 0.118 0.000 1.220 384 D CA -2.126 51.938 54.000 0.106 0.000 0.897 384 D CB 1.548 42.402 40.800 0.090 0.000 1.134 384 D HN -0.057 nan 8.370 nan 0.000 0.507 385 P HA -0.152 nan 4.420 nan 0.000 0.216 385 P C 1.455 178.805 177.300 0.083 0.000 1.153 385 P CA 0.953 64.102 63.100 0.082 0.000 0.858 385 P CB 0.480 32.210 31.700 0.050 0.000 0.789 386 K N -0.324 120.118 120.400 0.070 0.000 2.032 386 K HA -0.154 4.166 4.320 -0.000 0.000 0.209 386 K C 2.004 178.651 176.600 0.079 0.000 1.048 386 K CA 1.680 58.005 56.287 0.063 0.000 0.927 386 K CB -0.643 31.886 32.500 0.049 0.000 0.712 386 K HN -0.013 nan 8.250 nan 0.000 0.441 387 A N 0.942 123.816 122.820 0.089 0.000 1.933 387 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 387 A C 2.263 179.937 177.584 0.151 0.000 1.175 387 A CA 1.912 54.008 52.037 0.097 0.000 0.628 387 A CB -0.600 18.449 19.000 0.081 0.000 0.814 387 A HN 0.466 nan 8.150 nan 0.000 0.444 388 A N -0.665 122.279 122.820 0.208 0.000 1.969 388 A HA 0.054 4.374 4.320 -0.000 0.000 0.218 388 A C 2.180 179.970 177.584 0.343 0.000 1.169 388 A CA 1.611 53.863 52.037 0.359 0.000 0.635 388 A CB -0.751 18.483 19.000 0.389 0.000 0.810 388 A HN 0.364 nan 8.150 nan 0.000 0.445 389 V N 0.491 120.507 119.914 0.170 0.000 2.427 389 V HA -0.221 3.899 4.120 -0.000 0.000 0.248 389 V C 2.144 178.312 176.094 0.123 0.000 1.051 389 V CA 2.199 64.561 62.300 0.104 0.000 1.048 389 V CB -0.726 31.127 31.823 0.050 0.000 0.666 389 V HN 0.476 nan 8.190 nan 0.000 0.456 390 D N -0.235 120.236 120.400 0.117 0.000 2.117 390 D HA -0.189 4.451 4.640 -0.000 0.000 0.197 390 D C 2.352 178.727 176.300 0.124 0.000 0.987 390 D CA 1.284 55.342 54.000 0.097 0.000 0.829 390 D CB -0.191 40.653 40.800 0.073 0.000 0.961 390 D HN 0.523 nan 8.370 nan 0.000 0.460 391 Q N -0.229 119.675 119.800 0.173 0.000 2.135 391 Q HA -0.149 4.191 4.340 -0.000 0.000 0.204 391 Q C 2.159 178.342 176.000 0.304 0.000 0.981 391 Q CA 0.653 56.565 55.803 0.181 0.000 0.856 391 Q CB -0.113 28.700 28.738 0.124 0.000 0.902 391 Q HN 0.178 nan 8.270 nan 0.000 0.425 392 L N 0.942 122.410 121.223 0.408 0.000 2.083 392 L HA -0.169 4.170 4.340 -0.000 0.000 0.209 392 L C 2.287 179.255 176.870 0.164 0.000 1.083 392 L CA 1.723 56.752 54.840 0.315 0.000 0.752 392 L CB -0.470 41.637 42.059 0.080 0.000 0.899 392 L HN 0.073 nan 8.230 nan 0.000 0.433 393 R N -1.167 119.406 120.500 0.120 0.000 2.080 393 R HA -0.176 4.163 4.340 -0.000 0.000 0.236 393 R C 2.027 178.372 176.300 0.076 0.000 1.137 393 R CA 2.250 58.397 56.100 0.078 0.000 0.943 393 R CB -0.509 29.828 30.300 0.062 0.000 0.846 393 R HN 0.417 nan 8.270 nan 0.000 0.431 394 T N 0.643 115.246 114.554 0.081 0.000 2.746 394 T HA -0.130 4.220 4.350 -0.000 0.000 0.267 394 T C 1.818 176.563 174.700 0.075 0.000 1.039 394 T CA 1.391 63.529 62.100 0.062 0.000 1.142 394 T CB -0.327 68.570 68.868 0.048 0.000 0.866 394 T HN 0.468 nan 8.240 nan 0.000 0.444 395 A N 0.874 123.762 122.820 0.114 0.000 1.972 395 A HA -0.017 4.303 4.320 -0.000 0.000 0.219 395 A C 2.258 179.911 177.584 0.116 0.000 1.169 395 A CA 1.114 53.230 52.037 0.132 0.000 0.635 395 A CB -0.777 18.354 19.000 0.219 0.000 0.810 395 A HN 0.531 nan 8.150 nan 0.000 0.446 396 I N -0.352 120.277 120.570 0.098 0.000 2.179 396 I HA -0.273 3.897 4.170 -0.000 0.000 0.242 396 I C 2.969 179.123 176.117 0.062 0.000 1.088 396 I CA 1.084 62.428 61.300 0.074 0.000 1.357 396 I CB -0.290 37.743 38.000 0.055 0.000 1.051 396 I HN 0.347 nan 8.210 nan 0.000 0.409 397 A N 0.904 123.755 122.820 0.052 0.000 1.877 397 A HA -0.219 4.101 4.320 -0.000 0.000 0.216 397 A C 2.062 179.666 177.584 0.034 0.000 1.186 397 A CA 1.991 54.050 52.037 0.037 0.000 0.620 397 A CB -0.708 18.309 19.000 0.028 0.000 0.822 397 A HN 0.408 nan 8.150 nan 0.000 0.443 398 N N -0.227 118.499 118.700 0.043 0.000 2.166 398 N HA -0.100 4.640 4.740 -0.000 0.000 0.186 398 N C 1.702 177.241 175.510 0.049 0.000 1.019 398 N CA 1.899 54.969 53.050 0.034 0.000 0.856 398 N CB -0.795 37.719 38.487 0.045 0.000 0.993 398 N HN 0.512 nan 8.380 nan 0.000 0.426 399 T N 1.274 115.890 114.554 0.103 0.000 2.770 399 T HA -0.010 4.340 4.350 -0.000 0.000 0.263 399 T C 1.829 176.619 174.700 0.150 0.000 1.039 399 T CA 0.932 63.144 62.100 0.186 0.000 1.142 399 T CB 0.039 69.013 68.868 0.175 0.000 0.868 399 T HN 0.269 nan 8.240 nan 0.000 0.435 400 K N 0.750 121.200 120.400 0.083 0.000 2.097 400 K HA -0.035 4.285 4.320 -0.000 0.000 0.206 400 K C 2.548 179.159 176.600 0.019 0.000 1.049 400 K CA 0.855 57.175 56.287 0.055 0.000 0.933 400 K CB -0.111 32.410 32.500 0.035 0.000 0.717 400 K HN 0.169 nan 8.250 nan 0.000 0.442 401 R N 1.662 122.158 120.500 -0.007 0.000 2.075 401 R HA -0.102 4.238 4.340 -0.000 0.000 0.232 401 R C 1.887 178.123 176.300 -0.108 0.000 1.126 401 R CA 1.461 57.535 56.100 -0.043 0.000 0.963 401 R CB 0.113 30.390 30.300 -0.039 0.000 0.858 401 R HN 0.059 nan 8.270 nan 0.000 0.435 402 K N -0.960 119.324 120.400 -0.193 0.000 2.062 402 K HA -0.134 4.185 4.320 -0.000 0.000 0.205 402 K C 1.215 177.494 176.600 -0.535 0.000 1.051 402 K CA 1.519 57.520 56.287 -0.476 0.000 0.941 402 K CB 0.104 32.112 32.500 -0.819 0.000 0.719 402 K HN 0.318 nan 8.250 nan 0.000 0.440 403 Y N -1.716 118.574 120.300 -0.017 0.000 2.527 403 Y HA 0.209 4.759 4.550 -0.000 0.000 0.247 403 Y C 1.254 177.135 175.900 -0.031 0.000 1.138 403 Y CA 0.004 58.084 58.100 -0.033 0.000 1.228 403 Y CB 1.721 40.156 38.460 -0.043 0.000 1.252 403 Y HN 0.231 nan 8.280 nan 0.000 0.531 404 G N 0.639 109.488 108.800 0.082 0.000 2.217 404 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.246 404 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.246 404 G C 0.142 175.070 174.900 0.046 0.000 0.990 404 G CA -0.000 45.128 45.100 0.046 0.000 0.627 404 G HN 0.833 nan 8.290 nan 0.000 0.522 405 A N -1.165 121.697 122.820 0.069 0.000 2.586 405 A HA 0.709 5.029 4.320 -0.000 0.000 0.291 405 A C 0.726 178.342 177.584 0.053 0.000 1.062 405 A CA 0.030 52.093 52.037 0.044 0.000 0.666 405 A CB -0.164 18.849 19.000 0.021 0.000 1.281 405 A HN 1.434 nan 8.150 nan 0.000 0.421 406 I N -2.067 118.520 120.570 0.029 0.000 3.251 406 I HA 0.190 4.360 4.170 -0.000 0.000 0.277 406 I C 0.552 176.659 176.117 -0.017 0.000 1.268 406 I CA 1.360 62.673 61.300 0.021 0.000 1.449 406 I CB 0.007 38.017 38.000 0.016 0.000 1.083 406 I HN 0.466 nan 8.210 nan 0.000 0.464 407 D N 1.196 121.580 120.400 -0.027 0.000 2.740 407 D HA 0.087 4.727 4.640 -0.000 0.000 0.301 407 D C 0.402 176.666 176.300 -0.060 0.000 1.408 407 D CA -0.454 53.513 54.000 -0.055 0.000 0.808 407 D CB -0.252 40.521 40.800 -0.044 0.000 1.128 407 D HN 0.295 nan 8.370 nan 0.000 0.465 408 R N 1.400 121.862 120.500 -0.063 0.000 2.489 408 R HA 0.237 4.577 4.340 -0.000 0.000 0.287 408 R C -2.243 173.991 176.300 -0.109 0.000 1.053 408 R CA -0.942 55.112 56.100 -0.077 0.000 1.036 408 R CB 0.291 30.548 30.300 -0.071 0.000 0.966 408 R HN -0.106 nan 8.270 nan 0.000 0.432 409 P HA -0.106 nan 4.420 nan 0.000 0.262 409 P C -0.205 177.039 177.300 -0.094 0.000 1.182 409 P CA 0.281 63.341 63.100 -0.066 0.000 0.761 409 P CB 0.263 31.932 31.700 -0.052 0.000 0.795 410 F N 3.896 123.713 119.950 -0.221 0.000 2.095 410 F HA -0.114 4.413 4.527 -0.000 0.000 0.298 410 F C 2.070 177.669 175.800 -0.335 0.000 1.104 410 F CA 2.427 60.254 58.000 -0.288 0.000 1.232 410 F CB -0.618 38.265 39.000 -0.195 0.000 0.987 410 F HN 0.381 nan 8.300 nan 0.000 0.475 411 G N -1.409 107.341 108.800 -0.082 0.000 2.920 411 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.208 411 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.208 411 G C 0.983 175.764 174.900 -0.199 0.000 1.159 411 G CA 0.684 45.677 45.100 -0.178 0.000 0.784 411 G HN 0.484 nan 8.290 nan 0.000 0.535 412 D N 0.099 120.388 120.400 -0.186 0.000 2.216 412 D HA 0.177 4.817 4.640 -0.000 0.000 0.208 412 D C 2.538 178.724 176.300 -0.189 0.000 0.960 412 D CA 1.001 54.912 54.000 -0.149 0.000 0.861 412 D CB 0.035 40.774 40.800 -0.102 0.000 0.985 412 D HN 0.139 nan 8.370 nan 0.000 0.493 413 A N -0.339 122.310 122.820 -0.286 0.000 1.935 413 A HA 0.161 4.481 4.320 -0.000 0.000 0.214 413 A C 1.149 178.476 177.584 -0.429 0.000 1.178 413 A CA 0.349 52.213 52.037 -0.288 0.000 0.640 413 A CB 0.035 18.813 19.000 -0.370 0.000 0.825 413 A HN 0.193 nan 8.150 nan 0.000 0.447 414 S N 1.761 117.003 115.700 -0.764 0.000 2.410 414 S HA 0.583 5.053 4.470 -0.000 0.000 0.304 414 S C -0.303 173.897 174.600 -0.667 0.000 1.095 414 S CA -0.667 56.823 58.200 -1.182 0.000 1.089 414 S CB 0.519 62.261 63.200 -2.430 0.000 0.968 414 S HN 0.382 nan 8.310 nan 0.000 0.480 415 R N 2.087 122.437 120.500 -0.250 0.000 2.807 415 R HA 0.533 4.873 4.340 -0.000 0.000 0.276 415 R C -0.817 175.565 176.300 0.136 0.000 0.979 415 R CA -0.712 55.359 56.100 -0.048 0.000 0.928 415 R CB 1.314 31.586 30.300 -0.047 0.000 1.191 415 R HN 0.549 nan 8.270 nan 0.000 0.471 416 M N 3.056 122.695 119.600 0.065 0.000 2.072 416 M HA 0.503 4.983 4.480 -0.000 0.000 0.331 416 M C -0.528 175.780 176.300 0.013 0.000 1.004 416 M CA -0.260 55.066 55.300 0.044 0.000 0.952 416 M CB 1.200 33.783 32.600 -0.028 0.000 1.511 416 M HN 0.328 nan 8.290 nan 0.000 0.422 417 I N 5.506 126.092 120.570 0.027 0.000 2.439 417 I HA 0.477 4.646 4.170 -0.000 0.000 0.283 417 I C -1.067 175.059 176.117 0.015 0.000 1.023 417 I CA -0.454 60.858 61.300 0.020 0.000 1.100 417 I CB 1.353 39.376 38.000 0.037 0.000 1.238 417 I HN 0.603 nan 8.210 nan 0.000 0.445 418 L N 6.593 127.801 121.223 -0.025 0.000 2.381 418 L HA 0.569 4.908 4.340 -0.000 0.000 0.274 418 L C 0.294 177.175 176.870 0.020 0.000 0.988 418 L CA -0.670 54.137 54.840 -0.055 0.000 0.824 418 L CB 1.482 43.339 42.059 -0.338 0.000 1.263 418 L HN 0.637 nan 8.230 nan 0.000 0.410 419 N N 2.404 121.185 118.700 0.135 0.000 1.194 419 N HA -0.302 4.438 4.740 -0.000 0.000 0.131 419 N C 0.472 176.019 175.510 0.061 0.000 0.688 419 N CA 2.219 55.340 53.050 0.119 0.000 0.927 419 N CB -0.610 37.957 38.487 0.133 0.000 1.224 419 N HN 1.030 nan 8.380 nan 0.000 0.529 420 D N 1.046 121.473 120.400 0.044 0.000 2.388 420 D HA 0.272 4.912 4.640 -0.000 0.000 0.221 420 D C -0.196 176.113 176.300 0.015 0.000 1.133 420 D CA -0.050 53.966 54.000 0.027 0.000 0.831 420 D CB -0.189 40.625 40.800 0.024 0.000 0.962 420 D HN 0.242 nan 8.370 nan 0.000 0.502 421 V N 1.294 121.213 119.914 0.008 0.000 2.394 421 V HA 0.369 4.488 4.120 -0.000 0.000 0.282 421 V C -0.215 175.875 176.094 -0.008 0.000 1.031 421 V CA -0.825 61.472 62.300 -0.005 0.000 0.881 421 V CB 1.243 33.056 31.823 -0.018 0.000 0.982 421 V HN 0.211 nan 8.190 nan 0.000 0.451 422 N N 4.376 123.071 118.700 -0.008 0.000 2.549 422 N HA 0.510 5.249 4.740 -0.000 0.000 0.281 422 N C -1.106 174.394 175.510 -0.018 0.000 1.084 422 N CA -0.175 52.869 53.050 -0.010 0.000 0.862 422 N CB 2.026 40.510 38.487 -0.005 0.000 1.333 422 N HN 0.553 nan 8.380 nan 0.000 0.523 423 V N 1.401 121.301 119.914 -0.024 0.000 2.914 423 V HA 0.808 4.928 4.120 -0.000 0.000 0.314 423 V C -2.599 173.470 176.094 -0.040 0.000 1.084 423 V CA -2.279 60.002 62.300 -0.031 0.000 0.963 423 V CB 1.921 33.724 31.823 -0.034 0.000 1.025 423 V HN 0.375 nan 8.190 nan 0.000 0.432 424 P HA 0.308 nan 4.420 nan 0.000 0.271 424 P C 0.180 177.448 177.300 -0.054 0.000 1.216 424 P CA 0.603 63.668 63.100 -0.059 0.000 0.771 424 P CB 0.949 32.624 31.700 -0.040 0.000 0.864 425 G N 1.299 110.047 108.800 -0.087 0.000 2.451 425 G HA2 0.622 4.582 3.960 -0.000 0.000 0.303 425 G HA3 0.622 4.582 3.960 -0.000 0.000 0.303 425 G C -1.048 173.903 174.900 0.085 0.000 1.166 425 G CA -0.408 44.683 45.100 -0.014 0.000 0.884 425 G HN 0.710 nan 8.290 nan 0.000 0.514 426 A N -0.617 122.326 122.820 0.205 0.000 2.610 426 A HA 1.015 5.335 4.320 -0.000 0.000 0.291 426 A C 0.196 178.037 177.584 0.428 0.000 1.086 426 A CA 0.423 52.640 52.037 0.299 0.000 0.677 426 A CB 0.848 19.926 19.000 0.131 0.000 1.278 426 A HN 2.834 nan 8.150 nan 0.000 0.414 427 A N -1.306 121.744 122.820 0.382 0.000 6.702 427 A HA 0.466 4.785 4.320 -0.000 0.000 0.279 427 A C 1.172 179.108 177.584 0.587 0.000 2.141 427 A CA 1.319 53.664 52.037 0.513 0.000 0.658 427 A CB -1.891 17.495 19.000 0.643 0.000 1.332 427 A HN 3.194 nan 8.150 nan 0.000 0.388 428 G N -2.342 106.643 108.800 0.309 0.000 2.565 428 G HA2 0.578 4.538 3.960 -0.000 0.000 0.142 428 G HA3 0.578 4.538 3.960 -0.000 0.000 0.142 428 G C -0.737 174.093 174.900 -0.116 0.000 1.181 428 G CA -0.010 45.122 45.100 0.053 0.000 1.066 428 G HN 1.452 nan 8.290 nan 0.000 0.530 429 Y N 1.828 122.112 120.300 -0.027 0.000 2.402 429 Y HA 0.360 4.910 4.550 -0.000 0.000 0.333 429 Y C 1.820 177.768 175.900 0.080 0.000 1.076 429 Y CA 0.437 58.574 58.100 0.062 0.000 1.299 429 Y CB 1.647 40.157 38.460 0.084 0.000 1.197 429 Y HN 0.583 nan 8.280 nan 0.000 0.517 430 G N 2.489 111.442 108.800 0.255 0.000 2.418 430 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.217 430 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.217 430 G C 1.360 176.394 174.900 0.222 0.000 1.158 430 G CA 0.769 45.979 45.100 0.183 0.000 0.771 430 G HN 0.565 nan 8.290 nan 0.000 0.545 431 N N 0.311 119.171 118.700 0.266 0.000 2.520 431 N HA 0.027 4.766 4.740 -0.000 0.000 0.185 431 N C 1.935 177.612 175.510 0.278 0.000 1.068 431 N CA 0.333 53.545 53.050 0.270 0.000 0.911 431 N CB -0.089 38.587 38.487 0.315 0.000 0.961 431 N HN 0.321 nan 8.380 nan 0.000 0.446 432 L N -1.303 120.068 121.223 0.247 0.000 2.558 432 L HA 0.189 4.528 4.340 -0.000 0.000 0.225 432 L C 1.298 178.395 176.870 0.378 0.000 1.128 432 L CA 0.413 55.443 54.840 0.315 0.000 0.868 432 L CB -0.018 42.244 42.059 0.339 0.000 1.006 432 L HN 0.231 nan 8.230 nan 0.000 0.454 433 G N -0.894 108.096 108.800 0.316 0.000 2.192 433 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.193 433 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.193 433 G C 0.365 175.439 174.900 0.290 0.000 0.999 433 G CA 0.089 45.351 45.100 0.271 0.000 0.659 433 G HN 0.188 nan 8.290 nan 0.000 0.503 434 S N 0.103 116.014 115.700 0.351 0.000 2.498 434 S HA 0.477 4.946 4.470 -0.000 0.000 0.281 434 S C 1.135 175.879 174.600 0.239 0.000 1.265 434 S CA 0.169 58.576 58.200 0.346 0.000 1.071 434 S CB 0.222 63.621 63.200 0.333 0.000 0.894 434 S HN 0.586 nan 8.310 nan 0.000 0.491 435 F N 5.547 125.549 119.950 0.087 0.000 2.098 435 F HA 0.200 4.727 4.527 -0.000 0.000 0.294 435 F C 1.464 177.250 175.800 -0.024 0.000 1.107 435 F CA 0.934 58.942 58.000 0.013 0.000 1.234 435 F CB -0.048 38.931 39.000 -0.036 0.000 1.002 435 F HN 0.517 nan 8.300 nan 0.000 0.472 436 R N 1.454 122.001 120.500 0.078 0.000 2.401 436 R HA 0.334 4.674 4.340 -0.000 0.000 0.299 436 R C -1.525 174.690 176.300 -0.142 0.000 1.064 436 R CA -0.087 55.965 56.100 -0.080 0.000 1.000 436 R CB 0.452 30.820 30.300 0.113 0.000 0.973 436 R HN 0.048 nan 8.270 nan 0.000 0.438 437 V N 6.406 126.071 119.914 -0.416 0.000 2.495 437 V HA 0.456 4.575 4.120 -0.000 0.000 0.298 437 V C -0.855 174.747 176.094 -0.820 0.000 1.031 437 V CA -0.545 61.511 62.300 -0.406 0.000 0.871 437 V CB 1.570 33.220 31.823 -0.288 0.000 0.988 437 V HN 0.625 nan 8.190 nan 0.000 0.432 438 F N 1.433 121.157 119.950 -0.377 0.000 2.716 438 F HA 0.313 4.840 4.527 -0.000 0.000 0.354 438 F C 0.654 175.898 175.800 -0.927 0.000 1.168 438 F CA -0.522 57.031 58.000 -0.745 0.000 1.045 438 F CB 1.822 40.139 39.000 -1.139 0.000 1.311 438 F HN 0.329 nan 8.300 nan 0.000 0.477 439 T N 2.456 116.789 114.554 -0.368 0.000 2.978 439 T HA 0.006 4.356 4.350 -0.000 0.000 0.278 439 T C -0.200 174.411 174.700 -0.148 0.000 0.945 439 T CA -0.223 61.809 62.100 -0.113 0.000 1.070 439 T CB -0.557 68.412 68.868 0.169 0.000 0.948 439 T HN 0.310 nan 8.240 nan 0.000 0.617 440 W N 3.044 124.267 121.300 -0.127 0.000 2.210 440 W HA 0.267 4.927 4.660 -0.000 0.000 0.330 440 W C 1.264 177.893 176.519 0.184 0.000 1.334 440 W CA -0.797 56.540 57.345 -0.014 0.000 1.227 440 W CB 0.230 29.601 29.460 -0.149 0.000 1.178 440 W HN 0.545 nan 8.180 nan 0.000 0.560 441 S N 1.745 117.661 115.700 0.360 0.000 2.596 441 S HA 0.079 4.549 4.470 -0.000 0.000 0.260 441 S C 0.034 174.791 174.600 0.262 0.000 1.336 441 S CA -0.975 57.380 58.200 0.259 0.000 0.993 441 S CB 0.612 63.923 63.200 0.186 0.000 0.923 441 S HN 0.419 nan 8.310 nan 0.000 0.567 442 D N 2.878 123.381 120.400 0.173 0.000 2.449 442 D HA 0.226 4.866 4.640 -0.000 0.000 0.236 442 D C -1.931 174.418 176.300 0.082 0.000 1.149 442 D CA -0.687 53.380 54.000 0.112 0.000 0.878 442 D CB 0.053 40.883 40.800 0.050 0.000 1.198 442 D HN 0.444 nan 8.370 nan 0.000 0.446 443 P HA 0.063 nan 4.420 nan 0.000 0.274 443 P C -0.267 177.016 177.300 -0.028 0.000 1.231 443 P CA -0.474 62.620 63.100 -0.010 0.000 0.790 443 P CB 0.768 32.375 31.700 -0.154 0.000 0.951 444 D N 0.917 121.313 120.400 -0.007 0.000 2.398 444 D HA -0.056 4.584 4.640 -0.000 0.000 0.264 444 D C 1.313 177.592 176.300 -0.035 0.000 1.263 444 D CA -0.206 53.787 54.000 -0.012 0.000 1.037 444 D CB -0.005 40.798 40.800 0.005 0.000 1.101 444 D HN 0.429 nan 8.370 nan 0.000 0.551 445 E N -0.239 119.946 120.200 -0.025 0.000 2.204 445 E HA -0.209 4.141 4.350 -0.000 0.000 0.195 445 E C 0.426 177.009 176.600 -0.029 0.000 0.990 445 E CA 0.852 57.234 56.400 -0.031 0.000 0.821 445 E CB -0.576 29.112 29.700 -0.020 0.000 0.750 445 E HN 0.384 nan 8.360 nan 0.000 0.477 446 N N 0.694 119.383 118.700 -0.018 0.000 2.322 446 N HA 0.086 4.826 4.740 -0.000 0.000 0.194 446 N C 1.005 176.514 175.510 -0.001 0.000 1.126 446 N CA 0.896 53.940 53.050 -0.010 0.000 0.845 446 N CB 0.810 39.295 38.487 -0.005 0.000 0.976 446 N HN 0.457 nan 8.380 nan 0.000 0.475 447 G N -0.154 108.636 108.800 -0.017 0.000 2.162 447 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.260 447 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.260 447 G C -0.027 174.926 174.900 0.089 0.000 0.976 447 G CA 0.221 45.334 45.100 0.022 0.000 0.655 447 G HN 0.210 nan 8.290 nan 0.000 0.533 448 V N 2.109 122.041 119.914 0.029 0.000 2.530 448 V HA 0.630 4.750 4.120 -0.000 0.000 0.282 448 V C 0.859 176.974 176.094 0.036 0.000 1.048 448 V CA 0.310 62.617 62.300 0.011 0.000 0.997 448 V CB 1.108 32.931 31.823 -0.001 0.000 0.987 448 V HN 0.722 nan 8.190 nan 0.000 0.477 449 R N 2.477 122.993 120.500 0.028 0.000 2.837 449 R HA 0.886 5.225 4.340 -0.000 0.000 0.271 449 R C -0.782 175.637 176.300 0.198 0.000 0.993 449 R CA -0.671 55.497 56.100 0.114 0.000 0.931 449 R CB 2.248 32.642 30.300 0.157 0.000 1.206 449 R HN 0.647 nan 8.270 nan 0.000 0.474 450 T N -1.933 112.801 114.554 0.301 0.000 2.883 450 T HA 0.544 4.894 4.350 -0.000 0.000 0.296 450 T C -2.924 171.938 174.700 0.270 0.000 1.117 450 T CA -2.484 59.829 62.100 0.356 0.000 1.006 450 T CB 2.038 71.016 68.868 0.184 0.000 1.191 450 T HN 0.390 nan 8.240 nan 0.000 0.508 451 P HA 0.208 nan 4.420 nan 0.000 0.271 451 P C 1.152 178.466 177.300 0.023 0.000 1.226 451 P CA -0.503 62.508 63.100 -0.148 0.000 0.765 451 P CB 0.733 32.313 31.700 -0.201 0.000 0.835 452 V N 0.501 120.448 119.914 0.055 0.000 3.506 452 V HA 0.188 4.308 4.120 -0.000 0.000 0.263 452 V C 0.501 176.689 176.094 0.156 0.000 1.203 452 V CA 0.935 63.298 62.300 0.105 0.000 1.133 452 V CB -0.873 31.013 31.823 0.105 0.000 0.802 452 V HN 0.607 nan 8.190 nan 0.000 0.459 453 H N -1.602 117.444 119.070 -0.039 0.000 3.081 453 H HA 0.532 5.088 4.556 -0.000 0.000 0.322 453 H C -0.162 175.077 175.328 -0.150 0.000 1.266 453 H CA 0.222 56.231 56.048 -0.065 0.000 1.279 453 H CB 1.718 31.446 29.762 -0.057 0.000 1.954 453 H HN 0.461 nan 8.280 nan 0.000 0.530 454 G N 2.674 111.151 108.800 -0.538 0.000 2.292 454 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.194 454 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.194 454 G C -1.179 173.386 174.900 -0.558 0.000 1.329 454 G CA -0.670 44.098 45.100 -0.554 0.000 1.100 454 G HN 0.484 nan 8.290 nan 0.000 0.470 455 E N 1.598 121.372 120.200 -0.710 0.000 2.558 455 E HA 0.256 4.606 4.350 -0.000 0.000 0.255 455 E C 1.145 177.500 176.600 -0.408 0.000 0.968 455 E CA 1.168 57.233 56.400 -0.559 0.000 0.939 455 E CB 1.006 30.326 29.700 -0.633 0.000 0.921 455 E HN 0.811 nan 8.360 nan 0.000 0.477 456 T N -0.326 114.014 114.554 -0.357 0.000 3.409 456 T HA 0.067 4.417 4.350 -0.000 0.000 0.188 456 T C 0.364 174.927 174.700 -0.228 0.000 0.929 456 T CA -0.629 61.220 62.100 -0.418 0.000 1.184 456 T CB 0.015 68.665 68.868 -0.364 0.000 1.570 456 T HN 0.589 nan 8.240 nan 0.000 0.367 457 W N 3.313 124.424 121.300 -0.316 0.000 2.335 457 W HA 0.583 5.243 4.660 -0.000 0.000 0.306 457 W C -1.911 174.516 176.519 -0.153 0.000 1.216 457 W CA -0.728 56.495 57.345 -0.203 0.000 1.237 457 W CB 0.978 30.309 29.460 -0.215 0.000 1.243 457 W HN 0.244 nan 8.180 nan 0.000 0.493 458 V N 6.273 125.755 119.914 -0.719 0.000 2.482 458 V HA 0.700 4.820 4.120 -0.000 0.000 0.295 458 V C -0.137 175.515 176.094 -0.736 0.000 1.026 458 V CA -0.740 61.238 62.300 -0.538 0.000 0.856 458 V CB 0.717 32.465 31.823 -0.125 0.000 1.001 458 V HN 0.657 nan 8.190 nan 0.000 0.424 459 A N 5.540 127.969 122.820 -0.652 0.000 2.515 459 A HA 1.013 5.333 4.320 -0.000 0.000 0.298 459 A C -1.111 176.323 177.584 -0.251 0.000 1.059 459 A CA -0.644 51.105 52.037 -0.480 0.000 0.698 459 A CB 2.031 20.768 19.000 -0.438 0.000 1.289 459 A HN 0.759 nan 8.150 nan 0.000 0.404 460 M N 1.732 121.195 119.600 -0.227 0.000 2.263 460 M HA 0.567 5.047 4.480 -0.000 0.000 0.295 460 M C -1.410 174.762 176.300 -0.214 0.000 1.028 460 M CA 0.168 55.409 55.300 -0.097 0.000 0.921 460 M CB 1.934 34.502 32.600 -0.053 0.000 1.601 460 M HN 0.536 nan 8.290 nan 0.000 0.440 461 I N 1.589 121.974 120.570 -0.309 0.000 2.498 461 I HA 0.415 4.585 4.170 -0.000 0.000 0.290 461 I C -0.496 175.291 176.117 -0.550 0.000 1.032 461 I CA -0.444 60.490 61.300 -0.611 0.000 1.073 461 I CB 2.097 39.479 38.000 -1.030 0.000 1.251 461 I HN 0.607 nan 8.210 nan 0.000 0.426 462 E N 5.095 124.990 120.200 -0.509 0.000 2.166 462 E HA 0.380 4.730 4.350 -0.000 0.000 0.275 462 E C -0.998 175.331 176.600 -0.452 0.000 0.941 462 E CA -0.544 55.628 56.400 -0.379 0.000 0.784 462 E CB 0.875 30.442 29.700 -0.221 0.000 1.115 462 E HN 0.491 nan 8.360 nan 0.000 0.399 463 F N 3.444 123.318 119.950 -0.126 0.000 2.954 463 F HA 0.095 4.622 4.527 -0.000 0.000 0.300 463 F C 0.949 176.713 175.800 -0.060 0.000 1.206 463 F CA -0.444 57.506 58.000 -0.083 0.000 1.345 463 F CB 0.007 38.954 39.000 -0.088 0.000 1.206 463 F HN 0.294 nan 8.300 nan 0.000 0.537 464 S N -1.259 114.445 115.700 0.006 0.000 2.633 464 S HA 0.330 4.800 4.470 -0.000 0.000 0.257 464 S C 0.305 174.919 174.600 0.023 0.000 1.265 464 S CA -0.614 57.589 58.200 0.004 0.000 0.980 464 S CB 0.825 64.004 63.200 -0.035 0.000 1.017 464 S HN 0.151 nan 8.310 nan 0.000 0.577 465 T N 2.733 117.297 114.554 0.017 0.000 2.934 465 T HA 0.500 4.849 4.350 -0.000 0.000 0.328 465 T C -2.122 172.583 174.700 0.009 0.000 1.068 465 T CA -0.836 61.279 62.100 0.024 0.000 1.018 465 T CB 0.829 69.716 68.868 0.031 0.000 1.009 465 T HN 0.669 nan 8.240 nan 0.000 0.471 466 P HA 0.394 nan 4.420 nan 0.000 0.275 466 P C 0.096 177.381 177.300 -0.025 0.000 1.266 466 P CA -0.609 62.492 63.100 0.001 0.000 0.793 466 P CB 0.435 32.130 31.700 -0.007 0.000 1.074 467 V N -1.631 118.264 119.914 -0.032 0.000 3.051 467 V HA 0.377 4.496 4.120 -0.000 0.000 0.306 467 V C 0.337 176.334 176.094 -0.161 0.000 1.083 467 V CA -0.512 61.716 62.300 -0.120 0.000 1.104 467 V CB 0.160 31.888 31.823 -0.159 0.000 1.027 467 V HN 0.648 nan 8.190 nan 0.000 0.483 468 R N 2.168 122.528 120.500 -0.234 0.000 2.513 468 R HA 0.775 5.115 4.340 -0.000 0.000 0.301 468 R C -0.797 175.300 176.300 -0.337 0.000 0.968 468 R CA 0.056 56.013 56.100 -0.238 0.000 0.872 468 R CB 1.706 31.932 30.300 -0.124 0.000 1.177 468 R HN 1.267 nan 8.270 nan 0.000 0.444 469 A N 3.613 126.168 122.820 -0.442 0.000 2.549 469 A HA 0.655 4.975 4.320 -0.000 0.000 0.297 469 A C -1.989 175.270 177.584 -0.542 0.000 1.061 469 A CA -0.532 51.228 52.037 -0.461 0.000 0.690 469 A CB 1.175 19.823 19.000 -0.588 0.000 1.287 469 A HN 0.657 nan 8.150 nan 0.000 0.402 470 Y N -0.065 120.112 120.300 -0.206 0.000 2.512 470 Y HA 0.742 5.292 4.550 -0.000 0.000 0.348 470 Y C 0.706 176.548 175.900 -0.097 0.000 0.990 470 Y CA 0.083 58.122 58.100 -0.101 0.000 1.033 470 Y CB 2.956 41.350 38.460 -0.109 0.000 1.259 470 Y HN 1.179 nan 8.280 nan 0.000 0.461 471 G N 1.393 110.315 108.800 0.203 0.000 2.608 471 G HA2 0.737 4.697 3.960 -0.000 0.000 0.291 471 G HA3 0.737 4.697 3.960 -0.000 0.000 0.291 471 G C -2.345 172.615 174.900 0.101 0.000 1.425 471 G CA -0.865 44.264 45.100 0.048 0.000 0.787 471 G HN 0.525 nan 8.290 nan 0.000 0.484 472 L N -0.500 120.652 121.223 -0.119 0.000 2.465 472 L HA 0.663 5.003 4.340 -0.000 0.000 0.257 472 L C -1.071 175.784 176.870 -0.026 0.000 0.988 472 L CA -0.852 53.925 54.840 -0.104 0.000 0.827 472 L CB 2.691 44.547 42.059 -0.338 0.000 1.397 472 L HN 0.585 nan 8.230 nan 0.000 0.410 473 M N 0.458 120.117 119.600 0.098 0.000 2.125 473 M HA 0.358 4.838 4.480 -0.000 0.000 0.321 473 M C 0.607 176.859 176.300 -0.080 0.000 0.983 473 M CA 0.136 55.490 55.300 0.090 0.000 0.934 473 M CB 1.661 34.408 32.600 0.245 0.000 1.542 473 M HN 0.560 nan 8.290 nan 0.000 0.424 474 S N 3.547 119.097 115.700 -0.251 0.000 2.372 474 S HA -0.182 4.288 4.470 -0.000 0.000 0.227 474 S C 0.770 175.299 174.600 -0.118 0.000 1.044 474 S CA 2.080 60.152 58.200 -0.214 0.000 1.050 474 S CB -0.542 62.501 63.200 -0.261 0.000 0.901 474 S HN 0.820 nan 8.310 nan 0.000 0.447 475 Y N 0.796 121.101 120.300 0.008 0.000 2.625 475 Y HA 0.600 5.150 4.550 -0.000 0.000 0.285 475 Y C 0.932 176.864 175.900 0.054 0.000 1.168 475 Y CA -1.406 56.673 58.100 -0.035 0.000 1.250 475 Y CB -1.140 37.373 38.460 0.088 0.000 1.130 475 Y HN 0.234 nan 8.280 nan 0.000 0.526 476 G N 1.524 110.491 108.800 0.278 0.000 2.796 476 G HA2 -0.359 3.600 3.960 -0.000 0.000 0.226 476 G HA3 -0.359 3.600 3.960 -0.000 0.000 0.226 476 G C 0.058 175.166 174.900 0.346 0.000 1.381 476 G CA 0.109 45.370 45.100 0.269 0.000 0.867 476 G HN 0.403 nan 8.290 nan 0.000 0.552 477 N N -0.491 118.377 118.700 0.280 0.000 2.236 477 N HA 0.370 5.110 4.740 -0.000 0.000 0.196 477 N C 0.330 176.054 175.510 0.357 0.000 1.114 477 N CA 1.186 54.404 53.050 0.279 0.000 0.859 477 N CB 0.436 38.992 38.487 0.114 0.000 0.982 477 N HN 0.854 nan 8.380 nan 0.000 0.493 478 S N -0.957 114.928 115.700 0.308 0.000 2.541 478 S HA 0.490 4.959 4.470 -0.000 0.000 0.271 478 S C -0.278 174.404 174.600 0.136 0.000 1.133 478 S CA -0.649 57.674 58.200 0.205 0.000 0.876 478 S CB 1.279 64.603 63.200 0.207 0.000 1.105 478 S HN 0.152 nan 8.310 nan 0.000 0.470 479 R N 1.199 121.689 120.500 -0.018 0.000 2.596 479 R HA 0.257 4.596 4.340 -0.000 0.000 0.369 479 R C -0.340 175.852 176.300 -0.179 0.000 1.042 479 R CA -0.259 55.731 56.100 -0.182 0.000 1.120 479 R CB 0.462 30.623 30.300 -0.233 0.000 1.353 479 R HN 0.583 nan 8.270 nan 0.000 0.564 480 Q N 1.306 121.048 119.800 -0.098 0.000 2.314 480 Q HA 0.209 4.549 4.340 -0.000 0.000 0.258 480 Q C -2.328 173.621 176.000 -0.085 0.000 0.954 480 Q CA -2.033 53.717 55.803 -0.087 0.000 0.890 480 Q CB 0.846 29.552 28.738 -0.053 0.000 1.210 480 Q HN -0.007 nan 8.270 nan 0.000 0.410 481 P HA -0.050 nan 4.420 nan 0.000 0.261 481 P C 0.649 177.921 177.300 -0.046 0.000 1.173 481 P CA 1.077 64.133 63.100 -0.073 0.000 0.760 481 P CB 0.297 31.960 31.700 -0.062 0.000 0.783 482 G N 1.482 110.261 108.800 -0.035 0.000 2.184 482 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.264 482 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.264 482 G C 0.542 175.428 174.900 -0.024 0.000 0.975 482 G CA 0.364 45.452 45.100 -0.021 0.000 0.642 482 G HN 0.799 nan 8.290 nan 0.000 0.536 483 T N 0.857 115.399 114.554 -0.020 0.000 2.930 483 T HA 0.429 4.779 4.350 -0.000 0.000 0.306 483 T C 1.936 176.609 174.700 -0.046 0.000 1.045 483 T CA 1.382 63.464 62.100 -0.030 0.000 1.134 483 T CB 0.627 69.512 68.868 0.027 0.000 0.961 483 T HN 0.922 nan 8.240 nan 0.000 0.545 484 T N 1.404 115.839 114.554 -0.199 0.000 3.169 484 T HA 0.138 4.488 4.350 -0.000 0.000 0.250 484 T C 0.658 175.250 174.700 -0.180 0.000 1.111 484 T CA 0.426 62.396 62.100 -0.216 0.000 1.010 484 T CB -0.520 68.160 68.868 -0.314 0.000 0.984 484 T HN 0.848 nan 8.240 nan 0.000 0.537 485 H N -0.882 118.263 119.070 0.126 0.000 2.492 485 H HA 0.326 4.882 4.556 -0.000 0.000 0.264 485 H C 0.308 175.763 175.328 0.213 0.000 1.150 485 H CA -0.623 55.509 56.048 0.140 0.000 0.962 485 H CB 0.338 30.175 29.762 0.126 0.000 1.766 485 H HN 0.287 nan 8.280 nan 0.000 0.589 486 Y N 1.094 121.484 120.300 0.150 0.000 2.382 486 Y HA 0.016 4.566 4.550 -0.000 0.000 0.292 486 Y C 2.090 178.067 175.900 0.128 0.000 1.151 486 Y CA 1.113 59.291 58.100 0.130 0.000 1.198 486 Y CB 0.319 38.825 38.460 0.077 0.000 1.195 486 Y HN 0.155 nan 8.280 nan 0.000 0.530 487 S N -0.419 115.256 115.700 -0.041 0.000 2.556 487 S HA 0.026 4.496 4.470 -0.000 0.000 0.216 487 S C 0.859 175.442 174.600 -0.029 0.000 0.970 487 S CA 0.255 58.372 58.200 -0.139 0.000 0.912 487 S CB -0.458 62.702 63.200 -0.067 0.000 0.790 487 S HN 0.588 nan 8.310 nan 0.000 0.504 488 D N 1.197 121.625 120.400 0.047 0.000 2.336 488 D HA -0.023 4.617 4.640 -0.000 0.000 0.229 488 D C 1.240 177.566 176.300 0.043 0.000 1.061 488 D CA 0.299 54.340 54.000 0.068 0.000 0.875 488 D CB -0.210 40.679 40.800 0.148 0.000 0.904 488 D HN 0.560 nan 8.370 nan 0.000 0.525 489 Q N -0.869 118.938 119.800 0.012 0.000 2.211 489 Q HA 0.215 4.555 4.340 -0.000 0.000 0.242 489 Q C 1.493 177.460 176.000 -0.055 0.000 0.825 489 Q CA -0.314 55.481 55.803 -0.014 0.000 0.951 489 Q CB 0.559 29.298 28.738 0.002 0.000 1.130 489 Q HN 0.113 nan 8.270 nan 0.000 0.496 490 I N 1.726 122.259 120.570 -0.060 0.000 2.493 490 I HA -0.197 3.973 4.170 -0.000 0.000 0.254 490 I C 2.247 178.325 176.117 -0.065 0.000 1.160 490 I CA 1.333 62.590 61.300 -0.072 0.000 1.445 490 I CB 0.093 38.044 38.000 -0.081 0.000 1.086 490 I HN 0.148 nan 8.210 nan 0.000 0.433 491 E N 0.827 120.996 120.200 -0.051 0.000 2.072 491 E HA -0.218 4.132 4.350 -0.000 0.000 0.191 491 E C 2.340 178.906 176.600 -0.055 0.000 0.985 491 E CA 1.059 57.433 56.400 -0.043 0.000 0.801 491 E CB -0.050 29.634 29.700 -0.026 0.000 0.750 491 E HN 0.479 nan 8.360 nan 0.000 0.452 492 R N 0.023 120.483 120.500 -0.067 0.000 2.096 492 R HA -0.098 4.242 4.340 -0.000 0.000 0.235 492 R C 2.527 178.728 176.300 -0.165 0.000 1.127 492 R CA 1.247 57.287 56.100 -0.100 0.000 0.968 492 R CB -0.254 29.986 30.300 -0.100 0.000 0.861 492 R HN 0.071 nan 8.270 nan 0.000 0.440 493 V N 1.118 120.933 119.914 -0.166 0.000 2.343 493 V HA -0.268 3.852 4.120 -0.000 0.000 0.247 493 V C 2.440 178.479 176.094 -0.093 0.000 1.051 493 V CA 2.187 64.382 62.300 -0.175 0.000 1.036 493 V CB -0.549 31.210 31.823 -0.107 0.000 0.654 493 V HN 0.484 nan 8.190 nan 0.000 0.451 494 S N 0.414 116.071 115.700 -0.072 0.000 2.442 494 S HA -0.180 4.290 4.470 -0.000 0.000 0.236 494 S C 1.784 176.373 174.600 -0.019 0.000 1.007 494 S CA 1.239 59.410 58.200 -0.048 0.000 0.965 494 S CB -0.367 62.805 63.200 -0.047 0.000 0.773 494 S HN 0.663 nan 8.310 nan 0.000 0.504 495 R N 0.547 121.029 120.500 -0.030 0.000 2.472 495 R HA 0.517 4.856 4.340 -0.000 0.000 0.279 495 R C 0.773 177.075 176.300 0.003 0.000 0.953 495 R CA 0.351 56.447 56.100 -0.006 0.000 1.088 495 R CB 0.170 30.463 30.300 -0.012 0.000 1.197 495 R HN 0.426 nan 8.270 nan 0.000 0.536 496 A N 2.199 125.002 122.820 -0.027 0.000 2.704 496 A HA -0.210 4.110 4.320 -0.000 0.000 0.299 496 A C -0.186 177.412 177.584 0.023 0.000 1.507 496 A CA 1.187 53.223 52.037 -0.002 0.000 0.776 496 A CB -1.537 17.585 19.000 0.203 0.000 1.027 496 A HN 0.399 nan 8.150 nan 0.000 0.475 497 D N -0.198 120.135 120.400 -0.111 0.000 2.500 497 D HA 0.520 5.160 4.640 -0.000 0.000 0.219 497 D C -0.211 176.050 176.300 -0.064 0.000 1.137 497 D CA -0.239 53.746 54.000 -0.024 0.000 0.946 497 D CB -0.414 40.371 40.800 -0.025 0.000 1.022 497 D HN 0.239 nan 8.370 nan 0.000 0.518 498 F N 1.847 121.788 119.950 -0.014 0.000 2.429 498 F HA 0.298 4.825 4.527 -0.000 0.000 0.348 498 F C 1.705 177.581 175.800 0.127 0.000 1.109 498 F CA -0.310 57.707 58.000 0.028 0.000 1.232 498 F CB 0.743 39.743 39.000 0.001 0.000 1.157 498 F HN -0.049 nan 8.300 nan 0.000 0.564 499 R N 1.808 122.458 120.500 0.250 0.000 2.491 499 R HA 0.066 4.406 4.340 -0.000 0.000 0.283 499 R C -0.008 176.426 176.300 0.223 0.000 1.072 499 R CA -0.373 55.848 56.100 0.202 0.000 1.048 499 R CB 0.451 30.831 30.300 0.133 0.000 0.983 499 R HN 0.639 nan 8.270 nan 0.000 0.450 500 E N 3.797 124.057 120.200 0.100 0.000 2.324 500 E HA 0.017 4.367 4.350 -0.000 0.000 0.271 500 E C -0.608 175.875 176.600 -0.196 0.000 1.028 500 E CA -0.248 55.982 56.400 -0.283 0.000 0.890 500 E CB 0.567 30.112 29.700 -0.257 0.000 1.004 500 E HN 0.352 nan 8.360 nan 0.000 0.431 501 L N 5.825 126.878 121.223 -0.283 0.000 2.331 501 L HA 0.230 4.570 4.340 -0.000 0.000 0.278 501 L C -0.147 176.532 176.870 -0.319 0.000 1.106 501 L CA -0.432 54.263 54.840 -0.242 0.000 0.824 501 L CB 0.476 42.380 42.059 -0.258 0.000 1.142 501 L HN 0.481 nan 8.230 nan 0.000 0.443 502 L N 5.147 126.211 121.223 -0.265 0.000 2.283 502 L HA 0.221 4.561 4.340 -0.000 0.000 0.281 502 L C 0.304 177.020 176.870 -0.257 0.000 1.033 502 L CA -0.317 54.414 54.840 -0.181 0.000 0.848 502 L CB 1.362 43.391 42.059 -0.050 0.000 1.226 502 L HN 0.616 nan 8.230 nan 0.000 0.429 503 L N 2.004 123.068 121.223 -0.264 0.000 2.537 503 L HA 0.257 4.597 4.340 -0.000 0.000 0.224 503 L C 1.138 178.023 176.870 0.026 0.000 1.065 503 L CA 0.487 55.168 54.840 -0.265 0.000 0.860 503 L CB -0.027 41.904 42.059 -0.213 0.000 1.086 503 L HN 0.436 nan 8.230 nan 0.000 0.482 504 R N -0.027 120.478 120.500 0.008 0.000 2.390 504 R HA 0.125 4.465 4.340 -0.000 0.000 0.291 504 R C 0.987 177.327 176.300 0.067 0.000 1.070 504 R CA -0.432 55.695 56.100 0.045 0.000 1.014 504 R CB 0.988 31.296 30.300 0.014 0.000 1.007 504 R HN -0.114 nan 8.270 nan 0.000 0.466 505 R N 2.845 123.389 120.500 0.073 0.000 2.103 505 R HA -0.209 4.131 4.340 -0.000 0.000 0.242 505 R C 1.853 178.182 176.300 0.048 0.000 1.142 505 R CA 2.271 58.410 56.100 0.066 0.000 0.960 505 R CB -0.137 30.189 30.300 0.044 0.000 0.858 505 R HN 0.765 nan 8.270 nan 0.000 0.439 506 E N 0.265 120.485 120.200 0.034 0.000 2.150 506 E HA -0.229 4.121 4.350 -0.000 0.000 0.193 506 E C 1.679 178.293 176.600 0.024 0.000 0.985 506 E CA 1.275 57.690 56.400 0.025 0.000 0.814 506 E CB -0.389 29.321 29.700 0.018 0.000 0.752 506 E HN 0.584 nan 8.360 nan 0.000 0.466 507 Q N 0.830 120.642 119.800 0.020 0.000 2.079 507 Q HA -0.069 4.271 4.340 -0.000 0.000 0.200 507 Q C 2.545 178.562 176.000 0.028 0.000 0.974 507 Q CA 1.687 57.498 55.803 0.013 0.000 0.840 507 Q CB -0.075 28.658 28.738 -0.009 0.000 0.898 507 Q HN 0.161 nan 8.270 nan 0.000 0.430 508 V N 1.341 121.284 119.914 0.049 0.000 2.343 508 V HA -0.247 3.873 4.120 -0.000 0.000 0.247 508 V C 1.876 178.004 176.094 0.056 0.000 1.051 508 V CA 1.899 64.242 62.300 0.071 0.000 1.036 508 V CB -0.491 31.402 31.823 0.116 0.000 0.654 508 V HN 0.346 nan 8.190 nan 0.000 0.451 509 E N 0.178 120.405 120.200 0.046 0.000 2.150 509 E HA -0.136 4.214 4.350 -0.000 0.000 0.193 509 E C 2.279 178.898 176.600 0.032 0.000 0.985 509 E CA 1.136 57.558 56.400 0.036 0.000 0.814 509 E CB -0.258 29.460 29.700 0.029 0.000 0.752 509 E HN 0.613 nan 8.360 nan 0.000 0.466 510 A N 0.920 123.758 122.820 0.029 0.000 2.014 510 A HA 0.045 4.365 4.320 -0.000 0.000 0.218 510 A C 2.178 179.780 177.584 0.030 0.000 1.163 510 A CA 1.372 53.425 52.037 0.026 0.000 0.652 510 A CB -0.101 18.912 19.000 0.021 0.000 0.808 510 A HN 0.255 nan 8.150 nan 0.000 0.449 511 A N -0.997 121.844 122.820 0.035 0.000 2.267 511 A HA 0.438 4.758 4.320 -0.000 0.000 0.213 511 A C 0.944 178.553 177.584 0.042 0.000 1.192 511 A CA 0.323 52.382 52.037 0.037 0.000 0.851 511 A CB -0.450 18.573 19.000 0.038 0.000 0.881 511 A HN 0.550 nan 8.150 nan 0.000 0.494 512 V N 0.777 120.717 119.914 0.044 0.000 2.673 512 V HA 0.044 4.164 4.120 -0.000 0.000 0.303 512 V C 0.627 176.750 176.094 0.047 0.000 1.046 512 V CA 0.554 62.883 62.300 0.047 0.000 1.126 512 V CB 0.944 32.796 31.823 0.047 0.000 0.934 512 V HN 0.592 nan 8.190 nan 0.000 0.487 513 Q N 4.209 124.041 119.800 0.054 0.000 2.245 513 Q HA 0.334 4.674 4.340 -0.000 0.000 0.236 513 Q C 0.163 176.201 176.000 0.064 0.000 0.842 513 Q CA 0.204 56.044 55.803 0.061 0.000 0.945 513 Q CB 1.243 30.027 28.738 0.076 0.000 1.122 513 Q HN 0.918 nan 8.270 nan 0.000 0.506 514 E N 0.349 120.587 120.200 0.064 0.000 2.335 514 E HA 0.386 4.736 4.350 -0.000 0.000 0.280 514 E C -1.339 175.298 176.600 0.063 0.000 0.918 514 E CA -0.370 56.069 56.400 0.065 0.000 0.765 514 E CB 1.515 31.262 29.700 0.078 0.000 1.218 514 E HN -0.093 nan 8.360 nan 0.000 0.425 515 R N 2.259 122.794 120.500 0.059 0.000 2.439 515 R HA 0.434 4.774 4.340 -0.000 0.000 0.310 515 R C -1.149 175.194 176.300 0.072 0.000 0.955 515 R CA -0.735 55.402 56.100 0.061 0.000 0.853 515 R CB 2.098 32.426 30.300 0.046 0.000 1.171 515 R HN 0.310 nan 8.270 nan 0.000 0.449 516 T N 4.860 119.473 114.554 0.099 0.000 2.947 516 T HA 0.261 4.611 4.350 -0.000 0.000 0.337 516 T C -1.904 172.903 174.700 0.178 0.000 1.139 516 T CA -1.375 60.800 62.100 0.126 0.000 0.992 516 T CB 0.775 69.722 68.868 0.133 0.000 1.043 516 T HN 0.392 nan 8.240 nan 0.000 0.498 517 P HA 0.475 nan 4.420 nan 0.000 0.271 517 P C -0.799 176.596 177.300 0.158 0.000 1.218 517 P CA -0.442 62.688 63.100 0.049 0.000 0.780 517 P CB 0.510 32.208 31.700 -0.002 0.000 0.901 518 F N -0.634 119.330 119.950 0.023 0.000 2.685 518 F HA 0.684 5.211 4.527 -0.000 0.000 0.315 518 F C -1.251 174.578 175.800 0.048 0.000 1.126 518 F CA -1.291 56.730 58.000 0.035 0.000 0.950 518 F CB 1.561 40.581 39.000 0.033 0.000 1.360 518 F HN 0.449 nan 8.300 nan 0.000 0.469 519 N N 0.237 119.081 118.700 0.239 0.000 2.324 519 N HA 0.488 5.228 4.740 -0.000 0.000 0.285 519 N C -2.371 173.335 175.510 0.328 0.000 1.076 519 N CA -0.763 52.382 53.050 0.159 0.000 0.864 519 N CB 2.488 40.995 38.487 0.033 0.000 1.632 519 N HN 0.904 nan 8.380 nan 0.000 0.478 520 F N 1.589 121.630 119.950 0.151 0.000 2.449 520 F HA 0.552 5.079 4.527 -0.000 0.000 0.342 520 F C -0.994 174.846 175.800 0.065 0.000 1.127 520 F CA -0.733 57.342 58.000 0.126 0.000 0.975 520 F CB 1.232 40.327 39.000 0.157 0.000 1.146 520 F HN 0.428 nan 8.300 nan 0.000 0.444 521 K N 7.456 127.554 120.400 -0.503 0.000 2.449 521 K HA 0.401 4.721 4.320 -0.000 0.000 0.257 521 K C -2.195 173.971 176.600 -0.723 0.000 0.989 521 K CA -1.597 54.374 56.287 -0.527 0.000 0.916 521 K CB 1.004 33.376 32.500 -0.213 0.000 1.136 521 K HN 0.426 nan 8.250 nan 0.000 0.439 522 P HA 0.000 nan 4.420 nan 0.000 0.216 522 P CA 0.000 62.815 63.100 -0.475 0.000 0.800 522 P CB 0.000 31.537 31.700 -0.271 0.000 0.726