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 1eqh_1_B DATA FIRST_RESID 33 DATA SEQUENCE VNPccYYPcQ HQGIcVRFGL DRYQcDcTRT GYSGPNcTIP EIWTWLRTTL DATA SEQUENCE RPSPSFIHFL LTHGRWLWDF VNATFIRDTL MRLVLTVRSN LIPSPPTYNI DATA SEQUENCE AHDYISWESF SNVSYYTRIL PSVPRDcPTP MGTKGKKQLP DAEFLSRRFL DATA SEQUENCE LRRKFIPDPQ GTNLMFAFFA QHFTHQFFKT SGKMGPGFTK ALGHGVDLGH DATA SEQUENCE IYGDNLERQY QLRLFKDGKL KYQMLNGEVY PPSVEEAPVL MHYPRGIPPQ DATA SEQUENCE SQMAVGQEVF GLLPGLMLYA TIWLREHNRV CDLLKAEHPT WGDEQLFQTA DATA SEQUENCE RLILIGETIK IVIEEYVQQL SGYFLQLKFD PELLFGAQFQ YRNRIAMEFN DATA SEQUENCE QLYHWHPLMP DSFRVGPQDY SYEQFLFNTS MLVDYGVEAL VDAFSRQPAG DATA SEQUENCE RIGGGRNIDH HILHVAVDVI KESRVLRLQP FNEYRKRFGM KPYTSFQELT DATA SEQUENCE GEKEMAAELE ELYGDIDALE FYPGLLLEKC HPNSIFGESM IEMGAPFSLK DATA SEQUENCE GLLGNPICSP EYWKASTFGG EVGFNLVKTA TLKKLVcLNT KTcPYVSFHV DATA SEQUENCE P 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 33 V HA 0.000 nan 4.120 nan 0.000 0.244 33 V C 0.000 176.130 176.094 0.061 0.000 1.182 33 V CA 0.000 62.327 62.300 0.046 0.000 1.235 33 V CB 0.000 31.845 31.823 0.037 0.000 1.184 34 N N 5.018 123.721 118.700 0.004 0.000 2.417 34 N HA 0.190 4.930 4.740 -0.000 0.000 0.272 34 N C -0.974 174.550 175.510 0.024 0.000 1.304 34 N CA -0.688 52.362 53.050 0.000 0.000 0.906 34 N CB 1.423 39.879 38.487 -0.052 0.000 1.135 34 N HN 0.725 nan 8.380 nan 0.000 0.483 35 P HA -0.075 nan 4.420 nan 0.000 0.222 35 P C 0.888 178.158 177.300 -0.050 0.000 1.147 35 P CA 0.789 63.972 63.100 0.139 0.000 0.790 35 P CB 0.104 31.924 31.700 0.201 0.000 0.780 36 c N -0.923 117.608 118.600 -0.114 0.000 2.472 36 c HA 0.008 4.578 4.570 -0.000 0.000 0.278 36 c C 2.846 176.743 174.090 -0.320 0.000 1.447 36 c CA 0.185 56.402 56.329 -0.187 0.000 1.773 36 c CB -2.219 40.234 42.510 -0.094 0.000 1.793 36 c HN 0.347 nan 8.230 nan 0.000 0.544 37 c N -0.568 117.801 118.600 -0.385 0.000 2.437 37 c HA -0.077 4.493 4.570 -0.000 0.000 0.283 37 c C 1.895 175.396 174.090 -0.982 0.000 1.424 37 c CA 0.635 56.560 56.329 -0.674 0.000 1.782 37 c CB -1.681 40.481 42.510 -0.580 0.000 1.833 37 c HN 0.704 nan 8.230 nan 0.000 0.532 38 Y N -1.757 118.219 120.300 -0.540 0.000 2.466 38 Y HA 0.169 4.719 4.550 -0.000 0.000 0.272 38 Y C 0.589 176.288 175.900 -0.334 0.000 1.169 38 Y CA -0.242 57.615 58.100 -0.406 0.000 1.285 38 Y CB -0.758 37.559 38.460 -0.238 0.000 1.078 38 Y HN 0.233 nan 8.280 nan 0.000 0.523 39 Y N -1.067 119.210 120.300 -0.038 0.000 3.108 39 Y HA -0.247 4.303 4.550 -0.000 0.000 0.208 39 Y C -1.317 174.527 175.900 -0.094 0.000 1.245 39 Y CA -0.519 57.531 58.100 -0.084 0.000 1.171 39 Y CB -2.011 36.398 38.460 -0.086 0.000 1.331 39 Y HN 0.236 nan 8.280 nan 0.000 0.534 40 P HA -0.164 nan 4.420 nan 0.000 0.215 40 P C 0.518 177.800 177.300 -0.031 0.000 1.157 40 P CA 1.502 64.536 63.100 -0.109 0.000 0.868 40 P CB 0.039 31.495 31.700 -0.407 0.000 0.788 41 c N 2.728 121.318 118.600 -0.016 0.000 2.648 41 c HA 0.231 4.801 4.570 -0.000 0.000 0.415 41 c C 0.921 174.981 174.090 -0.050 0.000 1.366 41 c CA -0.521 55.819 56.329 0.019 0.000 1.756 41 c CB -1.040 41.504 42.510 0.056 0.000 2.549 41 c HN 0.304 nan 8.230 nan 0.000 0.597 42 Q N 0.444 120.187 119.800 -0.095 0.000 2.194 42 Q HA 0.278 4.618 4.340 -0.000 0.000 0.245 42 Q C 0.302 176.133 176.000 -0.281 0.000 0.993 42 Q CA -0.586 55.038 55.803 -0.299 0.000 0.930 42 Q CB 0.275 28.737 28.738 -0.461 0.000 1.238 42 Q HN 0.917 nan 8.270 nan 0.000 0.486 43 H N 0.590 119.506 119.070 -0.256 0.000 2.604 43 H HA -0.222 4.334 4.556 -0.000 0.000 0.321 43 H C -0.245 175.008 175.328 -0.126 0.000 1.132 43 H CA 0.848 56.744 56.048 -0.254 0.000 1.129 43 H CB -1.716 27.725 29.762 -0.534 0.000 1.526 43 H HN 0.632 nan 8.280 nan 0.000 0.415 44 Q N -3.248 116.514 119.800 -0.064 0.000 2.416 44 Q HA -0.171 4.168 4.340 -0.000 0.000 0.235 44 Q C 1.087 177.098 176.000 0.018 0.000 0.773 44 Q CA 0.845 56.627 55.803 -0.035 0.000 1.286 44 Q CB -1.385 27.336 28.738 -0.028 0.000 1.556 44 Q HN 0.813 nan 8.270 nan 0.000 0.650 45 G N 0.638 109.454 108.800 0.027 0.000 2.544 45 G HA2 0.448 4.408 3.960 -0.000 0.000 0.242 45 G HA3 0.448 4.408 3.960 -0.000 0.000 0.242 45 G C -0.089 174.855 174.900 0.074 0.000 1.247 45 G CA -0.398 44.741 45.100 0.065 0.000 0.840 45 G HN 0.204 nan 8.290 nan 0.000 0.578 46 I N 0.923 121.556 120.570 0.104 0.000 2.312 46 I HA 0.158 4.328 4.170 -0.000 0.000 0.290 46 I C 0.374 176.570 176.117 0.132 0.000 1.008 46 I CA -0.558 60.814 61.300 0.120 0.000 1.226 46 I CB 1.544 39.632 38.000 0.148 0.000 1.371 46 I HN 0.363 nan 8.210 nan 0.000 0.468 47 c N 7.983 126.646 118.600 0.105 0.000 2.555 47 c HA 0.441 5.011 4.570 -0.000 0.000 0.385 47 c C 0.267 174.433 174.090 0.126 0.000 1.296 47 c CA -0.125 56.279 56.329 0.125 0.000 1.757 47 c CB -0.845 41.689 42.510 0.039 0.000 2.445 47 c HN 0.561 nan 8.230 nan 0.000 0.571 48 V N 7.587 127.630 119.914 0.215 0.000 2.487 48 V HA 0.437 4.557 4.120 -0.000 0.000 0.298 48 V C 0.104 176.290 176.094 0.154 0.000 1.028 48 V CA -0.712 61.665 62.300 0.128 0.000 0.860 48 V CB 1.651 33.565 31.823 0.150 0.000 0.991 48 V HN 0.814 nan 8.190 nan 0.000 0.427 49 R N 2.946 123.425 120.500 -0.035 0.000 2.442 49 R HA 0.468 4.808 4.340 -0.000 0.000 0.291 49 R C -1.433 174.741 176.300 -0.211 0.000 1.069 49 R CA 0.342 56.435 56.100 -0.011 0.000 1.022 49 R CB 0.260 30.527 30.300 -0.055 0.000 0.976 49 R HN 0.539 nan 8.270 nan 0.000 0.443 50 F N 3.188 123.161 119.950 0.039 0.000 2.547 50 F HA 0.502 5.029 4.527 -0.000 0.000 0.316 50 F C 0.974 176.776 175.800 0.004 0.000 1.121 50 F CA 0.382 58.387 58.000 0.008 0.000 0.911 50 F CB 2.237 41.232 39.000 -0.009 0.000 1.179 50 F HN 0.820 nan 8.300 nan 0.000 0.443 51 G N 2.644 111.538 108.800 0.157 0.000 2.641 51 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.254 51 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.254 51 G C 0.634 175.569 174.900 0.057 0.000 1.315 51 G CA 0.029 45.186 45.100 0.095 0.000 0.907 51 G HN 0.708 nan 8.290 nan 0.000 0.572 52 L N 0.629 121.880 121.223 0.047 0.000 2.179 52 L HA 0.161 4.501 4.340 -0.000 0.000 0.208 52 L C 2.041 178.940 176.870 0.048 0.000 1.096 52 L CA 2.059 56.920 54.840 0.036 0.000 0.779 52 L CB -0.233 41.843 42.059 0.028 0.000 0.922 52 L HN 0.786 nan 8.230 nan 0.000 0.443 53 D N -2.724 117.715 120.400 0.064 0.000 2.530 53 D HA 0.070 4.710 4.640 -0.000 0.000 0.253 53 D C 0.620 176.990 176.300 0.115 0.000 1.338 53 D CA -0.289 53.759 54.000 0.080 0.000 0.806 53 D CB 0.287 41.125 40.800 0.063 0.000 1.160 53 D HN 0.047 nan 8.370 nan 0.000 0.514 54 R N -0.125 120.448 120.500 0.122 0.000 2.608 54 R HA 0.651 4.991 4.340 -0.000 0.000 0.255 54 R C -0.837 175.611 176.300 0.246 0.000 1.086 54 R CA -0.795 55.382 56.100 0.129 0.000 1.125 54 R CB 0.926 31.260 30.300 0.056 0.000 1.193 54 R HN 0.168 nan 8.270 nan 0.000 0.553 55 Y N -2.197 118.186 120.300 0.138 0.000 2.581 55 Y HA 0.431 4.981 4.550 -0.000 0.000 0.337 55 Y C -1.707 174.285 175.900 0.154 0.000 1.108 55 Y CA -1.090 57.122 58.100 0.186 0.000 1.033 55 Y CB 1.509 40.036 38.460 0.112 0.000 1.318 55 Y HN 0.436 nan 8.280 nan 0.000 0.459 56 Q N 1.830 121.807 119.800 0.295 0.000 2.421 56 Q HA 0.695 5.035 4.340 -0.000 0.000 0.280 56 Q C -1.693 174.477 176.000 0.283 0.000 1.085 56 Q CA -1.019 54.828 55.803 0.072 0.000 0.807 56 Q CB 3.062 31.723 28.738 -0.128 0.000 1.405 56 Q HN 0.867 nan 8.270 nan 0.000 0.419 57 c N 1.350 120.067 118.600 0.195 0.000 2.322 57 c HA 0.312 4.882 4.570 -0.000 0.000 0.324 57 c C -0.281 173.888 174.090 0.131 0.000 1.284 57 c CA -0.664 55.784 56.329 0.198 0.000 1.606 57 c CB 0.557 43.185 42.510 0.197 0.000 2.251 57 c HN 0.680 nan 8.230 nan 0.000 0.502 58 D N 1.932 122.413 120.400 0.135 0.000 2.365 58 D HA 0.200 4.840 4.640 -0.000 0.000 0.237 58 D C 0.448 176.808 176.300 0.100 0.000 1.190 58 D CA -0.284 53.782 54.000 0.109 0.000 0.867 58 D CB 0.560 41.431 40.800 0.119 0.000 1.050 58 D HN 0.641 nan 8.370 nan 0.000 0.491 59 c N 2.861 121.516 118.600 0.092 0.000 2.673 59 c HA 0.147 4.717 4.570 -0.000 0.000 0.274 59 c C 0.833 174.979 174.090 0.094 0.000 1.276 59 c CA -0.387 56.005 56.329 0.104 0.000 1.701 59 c CB -1.632 40.950 42.510 0.119 0.000 1.836 59 c HN 0.551 nan 8.230 nan 0.000 0.596 60 T N 2.016 116.615 114.554 0.076 0.000 2.765 60 T HA -0.021 4.329 4.350 -0.000 0.000 0.275 60 T C 0.954 175.691 174.700 0.061 0.000 1.007 60 T CA 0.791 62.927 62.100 0.061 0.000 1.175 60 T CB -0.126 68.772 68.868 0.052 0.000 0.993 60 T HN 0.642 nan 8.240 nan 0.000 0.510 61 R N 0.146 120.680 120.500 0.056 0.000 3.946 61 R HA -0.221 4.119 4.340 -0.000 0.000 0.329 61 R C 1.650 177.995 176.300 0.075 0.000 1.209 61 R CA 1.219 57.350 56.100 0.051 0.000 0.909 61 R CB -2.331 27.989 30.300 0.033 0.000 1.355 61 R HN 0.919 nan 8.270 nan 0.000 0.539 62 T N -4.464 110.159 114.554 0.115 0.000 3.081 62 T HA 0.233 4.583 4.350 -0.000 0.000 0.255 62 T C 1.522 176.377 174.700 0.258 0.000 1.113 62 T CA 0.884 63.094 62.100 0.183 0.000 1.082 62 T CB 0.787 69.786 68.868 0.217 0.000 0.939 62 T HN 0.680 nan 8.240 nan 0.000 0.506 63 G N 0.191 109.073 108.800 0.138 0.000 2.176 63 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.253 63 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.253 63 G C -0.177 174.601 174.900 -0.202 0.000 0.979 63 G CA 0.255 45.343 45.100 -0.021 0.000 0.641 63 G HN 0.628 nan 8.290 nan 0.000 0.530 64 Y N 0.420 120.717 120.300 -0.006 0.000 2.633 64 Y HA 0.755 5.305 4.550 -0.000 0.000 0.339 64 Y C 0.624 176.539 175.900 0.026 0.000 1.045 64 Y CA -0.451 57.646 58.100 -0.006 0.000 1.098 64 Y CB 2.097 40.541 38.460 -0.027 0.000 1.296 64 Y HN 0.580 nan 8.280 nan 0.000 0.494 65 S N -0.632 115.191 115.700 0.205 0.000 2.794 65 S HA 0.951 5.421 4.470 -0.000 0.000 0.299 65 S C -0.303 174.369 174.600 0.120 0.000 1.179 65 S CA -0.466 57.808 58.200 0.124 0.000 0.838 65 S CB 1.641 64.881 63.200 0.067 0.000 1.206 65 S HN 1.850 nan 8.310 nan 0.000 0.523 66 G N 0.429 109.275 108.800 0.076 0.000 2.555 66 G HA2 0.110 4.070 3.960 -0.000 0.000 0.686 66 G HA3 0.110 4.070 3.960 -0.000 0.000 0.686 66 G C -2.543 172.393 174.900 0.059 0.000 1.275 66 G CA -0.288 44.849 45.100 0.063 0.000 0.871 66 G HN 0.634 nan 8.290 nan 0.000 0.603 67 P HA -0.063 nan 4.420 nan 0.000 0.217 67 P C 1.155 178.521 177.300 0.109 0.000 1.148 67 P CA 1.761 64.881 63.100 0.034 0.000 0.828 67 P CB 0.046 31.754 31.700 0.013 0.000 0.783 68 N N -3.310 115.460 118.700 0.117 0.000 2.200 68 N HA 0.102 4.842 4.740 -0.000 0.000 0.224 68 N C -0.686 174.887 175.510 0.104 0.000 1.179 68 N CA -0.010 53.117 53.050 0.129 0.000 0.877 68 N CB -0.261 38.289 38.487 0.105 0.000 1.072 68 N HN -0.059 nan 8.380 nan 0.000 0.519 69 c N 0.241 118.915 118.600 0.124 0.000 4.424 69 c HA -0.132 4.438 4.570 -0.000 0.000 0.304 69 c C 1.689 175.878 174.090 0.164 0.000 1.344 69 c CA 0.988 57.412 56.329 0.158 0.000 2.033 69 c CB -2.991 39.596 42.510 0.128 0.000 1.264 69 c HN 0.641 nan 8.230 nan 0.000 0.750 70 T N -4.011 110.655 114.554 0.188 0.000 2.971 70 T HA 0.349 4.699 4.350 -0.000 0.000 0.252 70 T C 0.308 175.211 174.700 0.339 0.000 1.022 70 T CA 0.101 62.332 62.100 0.219 0.000 0.980 70 T CB 0.182 69.139 68.868 0.148 0.000 1.044 70 T HN 0.616 nan 8.240 nan 0.000 0.501 71 I N 5.079 125.817 120.570 0.280 0.000 2.311 71 I HA 0.267 4.437 4.170 -0.000 0.000 0.297 71 I C -2.229 173.982 176.117 0.157 0.000 1.131 71 I CA -2.423 58.990 61.300 0.188 0.000 1.289 71 I CB 0.517 38.575 38.000 0.096 0.000 1.446 71 I HN 0.065 nan 8.210 nan 0.000 0.524 72 P HA 0.106 nan 4.420 nan 0.000 0.271 72 P C -0.397 176.781 177.300 -0.204 0.000 1.216 72 P CA -0.119 62.783 63.100 -0.329 0.000 0.776 72 P CB 0.918 32.498 31.700 -0.200 0.000 0.881 73 E N 1.003 121.048 120.200 -0.259 0.000 2.369 73 E HA 0.056 4.405 4.350 -0.000 0.000 0.255 73 E C 1.216 177.777 176.600 -0.065 0.000 1.172 73 E CA -0.684 55.650 56.400 -0.111 0.000 0.932 73 E CB 0.454 30.119 29.700 -0.059 0.000 1.040 73 E HN 0.314 nan 8.360 nan 0.000 0.454 74 I N 0.593 121.125 120.570 -0.063 0.000 2.118 74 I HA -0.258 3.912 4.170 -0.000 0.000 0.241 74 I C 1.430 177.500 176.117 -0.078 0.000 1.070 74 I CA 1.694 62.920 61.300 -0.124 0.000 1.327 74 I CB -0.193 37.655 38.000 -0.253 0.000 1.034 74 I HN 0.616 nan 8.210 nan 0.000 0.405 75 W N 0.373 121.684 121.300 0.018 0.000 2.388 75 W HA -0.155 4.505 4.660 -0.000 0.000 0.294 75 W C 2.689 179.205 176.519 -0.005 0.000 1.212 75 W CA 1.710 59.066 57.345 0.019 0.000 1.271 75 W CB -1.113 28.344 29.460 -0.005 0.000 1.126 75 W HN 0.010 nan 8.180 nan 0.000 0.535 76 T N -0.591 114.046 114.554 0.138 0.000 2.720 76 T HA -0.308 4.042 4.350 -0.000 0.000 0.268 76 T C 1.179 175.875 174.700 -0.005 0.000 1.037 76 T CA 1.756 63.833 62.100 -0.038 0.000 1.144 76 T CB -0.806 67.836 68.868 -0.377 0.000 0.864 76 T HN 0.355 nan 8.240 nan 0.000 0.444 77 W N 1.591 122.800 121.300 -0.153 0.000 2.355 77 W HA -0.011 4.649 4.660 -0.000 0.000 0.309 77 W C 1.797 178.280 176.519 -0.060 0.000 1.206 77 W CA 0.795 58.076 57.345 -0.108 0.000 1.284 77 W CB -0.534 28.854 29.460 -0.120 0.000 1.145 77 W HN 0.149 nan 8.180 nan 0.000 0.502 78 L N 0.288 121.559 121.223 0.080 0.000 1.970 78 L HA -0.267 4.073 4.340 -0.000 0.000 0.212 78 L C 2.793 179.570 176.870 -0.154 0.000 1.071 78 L CA 2.080 56.856 54.840 -0.106 0.000 0.751 78 L CB -1.188 40.888 42.059 0.028 0.000 0.889 78 L HN -0.018 nan 8.230 nan 0.000 0.432 79 R N 0.088 120.584 120.500 -0.006 0.000 2.094 79 R HA -0.220 4.120 4.340 -0.000 0.000 0.239 79 R C 2.362 178.617 176.300 -0.075 0.000 1.137 79 R CA 2.483 58.584 56.100 0.002 0.000 0.943 79 R CB -0.454 29.885 30.300 0.065 0.000 0.850 79 R HN 0.549 nan 8.270 nan 0.000 0.433 80 T N -2.723 111.765 114.554 -0.110 0.000 2.962 80 T HA -0.081 4.269 4.350 -0.000 0.000 0.270 80 T C 1.718 176.279 174.700 -0.232 0.000 1.088 80 T CA 1.424 63.453 62.100 -0.118 0.000 1.127 80 T CB -0.296 68.540 68.868 -0.054 0.000 0.883 80 T HN 0.508 nan 8.240 nan 0.000 0.493 81 T N -1.252 113.045 114.554 -0.427 0.000 3.037 81 T HA 0.312 4.662 4.350 -0.000 0.000 0.251 81 T C 1.470 175.974 174.700 -0.327 0.000 1.079 81 T CA -0.210 61.595 62.100 -0.493 0.000 1.067 81 T CB -0.187 68.097 68.868 -0.974 0.000 0.948 81 T HN 0.205 nan 8.240 nan 0.000 0.496 82 L N 0.661 121.736 121.223 -0.247 0.000 2.554 82 L HA 0.429 4.769 4.340 -0.000 0.000 0.225 82 L C 1.210 178.024 176.870 -0.093 0.000 1.104 82 L CA 0.161 54.911 54.840 -0.150 0.000 0.866 82 L CB -0.376 41.625 42.059 -0.097 0.000 1.047 82 L HN 0.234 nan 8.230 nan 0.000 0.468 83 R N 2.492 122.943 120.500 -0.082 0.000 2.296 83 R HA 0.217 4.557 4.340 -0.000 0.000 0.323 83 R C -2.155 174.124 176.300 -0.034 0.000 1.067 83 R CA -1.288 54.794 56.100 -0.028 0.000 0.946 83 R CB 0.475 30.771 30.300 -0.007 0.000 0.991 83 R HN -0.009 nan 8.270 nan 0.000 0.448 84 P HA 0.025 nan 4.420 nan 0.000 0.274 84 P C -0.630 176.715 177.300 0.075 0.000 1.237 84 P CA -0.386 62.705 63.100 -0.016 0.000 0.793 84 P CB 1.011 32.750 31.700 0.065 0.000 0.977 85 S N 0.951 116.700 115.700 0.082 0.000 2.584 85 S HA 0.140 4.610 4.470 -0.000 0.000 0.270 85 S C -1.668 173.039 174.600 0.177 0.000 1.346 85 S CA -0.749 57.517 58.200 0.109 0.000 1.018 85 S CB -0.181 63.073 63.200 0.090 0.000 0.899 85 S HN 0.251 nan 8.310 nan 0.000 0.542 86 P HA -0.057 nan 4.420 nan 0.000 0.216 86 P C 1.435 178.869 177.300 0.223 0.000 1.150 86 P CA 1.328 64.535 63.100 0.178 0.000 0.837 86 P CB -0.115 31.679 31.700 0.156 0.000 0.786 87 S N -1.265 114.575 115.700 0.233 0.000 2.368 87 S HA -0.157 4.313 4.470 -0.000 0.000 0.224 87 S C 1.659 176.389 174.600 0.216 0.000 1.029 87 S CA 0.981 59.318 58.200 0.228 0.000 0.988 87 S CB -1.237 62.090 63.200 0.212 0.000 0.838 87 S HN 0.157 nan 8.310 nan 0.000 0.462 88 F N 2.313 122.321 119.950 0.095 0.000 2.102 88 F HA -0.058 4.469 4.527 -0.000 0.000 0.298 88 F C 1.920 177.811 175.800 0.152 0.000 1.105 88 F CA 1.265 59.322 58.000 0.096 0.000 1.239 88 F CB -0.276 38.748 39.000 0.041 0.000 0.991 88 F HN 0.084 nan 8.300 nan 0.000 0.474 89 I N -0.374 120.284 120.570 0.147 0.000 2.226 89 I HA -0.344 3.826 4.170 -0.000 0.000 0.245 89 I C 2.408 178.450 176.117 -0.125 0.000 1.100 89 I CA 1.816 63.122 61.300 0.010 0.000 1.374 89 I CB -0.856 37.199 38.000 0.091 0.000 1.057 89 I HN 0.239 nan 8.210 nan 0.000 0.413 90 H N 0.831 119.811 119.070 -0.150 0.000 2.319 90 H HA -0.285 4.271 4.556 -0.000 0.000 0.299 90 H C 2.016 177.189 175.328 -0.258 0.000 1.092 90 H CA 2.158 58.041 56.048 -0.275 0.000 1.302 90 H CB -0.323 29.195 29.762 -0.408 0.000 1.373 90 H HN 0.285 nan 8.280 nan 0.000 0.497 91 F N 0.230 120.042 119.950 -0.230 0.000 2.065 91 F HA -0.226 4.301 4.527 -0.000 0.000 0.298 91 F C 1.951 177.641 175.800 -0.183 0.000 1.112 91 F CA 1.396 59.294 58.000 -0.170 0.000 1.212 91 F CB -0.667 38.184 39.000 -0.248 0.000 0.975 91 F HN 0.175 nan 8.300 nan 0.000 0.476 92 L N 0.323 121.379 121.223 -0.278 0.000 2.043 92 L HA -0.240 4.100 4.340 -0.000 0.000 0.212 92 L C 2.348 179.160 176.870 -0.097 0.000 1.075 92 L CA 1.666 56.381 54.840 -0.209 0.000 0.752 92 L CB -1.212 40.755 42.059 -0.154 0.000 0.891 92 L HN 0.223 nan 8.230 nan 0.000 0.432 93 L N -1.045 119.931 121.223 -0.412 0.000 2.465 93 L HA -0.088 4.252 4.340 -0.000 0.000 0.224 93 L C 1.381 177.602 176.870 -1.082 0.000 1.145 93 L CA 1.186 55.516 54.840 -0.850 0.000 0.834 93 L CB -0.613 40.674 42.059 -1.286 0.000 0.944 93 L HN 0.456 nan 8.230 nan 0.000 0.451 94 T N -4.937 109.019 114.554 -0.997 0.000 3.228 94 T HA 0.267 4.617 4.350 -0.000 0.000 0.278 94 T C 0.252 174.026 174.700 -1.542 0.000 1.014 94 T CA -0.434 60.794 62.100 -1.452 0.000 0.904 94 T CB -0.075 68.121 68.868 -1.121 0.000 1.110 94 T HN 0.092 nan 8.240 nan 0.000 0.541 95 H N -0.333 118.371 119.070 -0.610 0.000 3.008 95 H HA 0.506 5.062 4.556 -0.000 0.000 0.354 95 H C 0.694 176.179 175.328 0.261 0.000 1.252 95 H CA -0.370 55.605 56.048 -0.122 0.000 1.117 95 H CB 1.643 31.052 29.762 -0.589 0.000 1.857 95 H HN 0.295 nan 8.280 nan 0.000 0.547 96 G N 2.030 111.037 108.800 0.344 0.000 2.289 96 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.280 96 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.280 96 G C 1.344 176.178 174.900 -0.110 0.000 1.089 96 G CA 0.381 45.482 45.100 0.002 0.000 0.939 96 G HN 0.470 nan 8.290 nan 0.000 0.499 97 R N 0.037 120.525 120.500 -0.020 0.000 2.133 97 R HA -0.182 4.158 4.340 -0.000 0.000 0.245 97 R C 2.723 178.945 176.300 -0.130 0.000 1.137 97 R CA 2.693 58.592 56.100 -0.335 0.000 0.947 97 R CB -0.771 29.227 30.300 -0.504 0.000 0.865 97 R HN 0.943 nan 8.270 nan 0.000 0.437 98 W N 0.526 121.801 121.300 -0.041 0.000 2.318 98 W HA -0.243 4.417 4.660 -0.000 0.000 0.313 98 W C 1.673 178.196 176.519 0.007 0.000 1.221 98 W CA 0.557 57.889 57.345 -0.022 0.000 1.266 98 W CB -1.450 27.989 29.460 -0.035 0.000 1.150 98 W HN 0.068 nan 8.180 nan 0.000 0.496 99 L N 0.298 120.850 121.223 -1.119 0.000 2.056 99 L HA -0.047 4.293 4.340 -0.000 0.000 0.207 99 L C 2.352 178.928 176.870 -0.489 0.000 1.078 99 L CA 1.803 56.026 54.840 -1.028 0.000 0.749 99 L CB -1.275 39.806 42.059 -1.630 0.000 0.901 99 L HN -0.003 nan 8.230 nan 0.000 0.433 100 W N 0.061 121.188 121.300 -0.289 0.000 2.363 100 W HA -0.169 4.491 4.660 -0.000 0.000 0.296 100 W C 2.358 178.825 176.519 -0.086 0.000 1.212 100 W CA 1.002 58.266 57.345 -0.136 0.000 1.260 100 W CB -0.298 29.122 29.460 -0.067 0.000 1.131 100 W HN 0.170 nan 8.180 nan 0.000 0.530 101 D N -0.331 120.142 120.400 0.122 0.000 2.149 101 D HA -0.221 4.419 4.640 -0.000 0.000 0.198 101 D C 1.781 178.134 176.300 0.089 0.000 0.990 101 D CA 1.452 55.505 54.000 0.089 0.000 0.839 101 D CB -0.820 40.023 40.800 0.072 0.000 0.948 101 D HN 0.188 nan 8.370 nan 0.000 0.460 102 F N 1.348 121.277 119.950 -0.035 0.000 2.146 102 F HA -0.186 4.341 4.527 -0.000 0.000 0.298 102 F C 2.145 177.901 175.800 -0.074 0.000 1.096 102 F CA 0.988 58.962 58.000 -0.043 0.000 1.275 102 F CB -0.201 38.771 39.000 -0.047 0.000 1.008 102 F HN -0.237 nan 8.300 nan 0.000 0.480 103 V N 1.365 121.154 119.914 -0.209 0.000 2.295 103 V HA -0.315 3.805 4.120 -0.000 0.000 0.246 103 V C 2.114 178.077 176.094 -0.219 0.000 1.049 103 V CA 2.135 64.245 62.300 -0.316 0.000 1.024 103 V CB -0.911 30.793 31.823 -0.199 0.000 0.648 103 V HN 0.395 nan 8.190 nan 0.000 0.447 104 N N 0.685 119.360 118.700 -0.042 0.000 2.348 104 N HA -0.133 4.607 4.740 -0.000 0.000 0.185 104 N C 1.567 177.029 175.510 -0.081 0.000 1.019 104 N CA 1.554 54.598 53.050 -0.010 0.000 0.880 104 N CB -0.281 38.238 38.487 0.053 0.000 0.965 104 N HN 0.541 nan 8.380 nan 0.000 0.437 105 A N 0.047 122.774 122.820 -0.155 0.000 2.251 105 A HA 0.077 4.397 4.320 -0.000 0.000 0.209 105 A C 1.208 178.673 177.584 -0.199 0.000 1.187 105 A CA 0.414 52.361 52.037 -0.150 0.000 0.823 105 A CB -0.137 18.782 19.000 -0.134 0.000 0.846 105 A HN 0.378 nan 8.150 nan 0.000 0.486 106 T N -4.555 109.822 114.554 -0.294 0.000 2.919 106 T HA 0.471 4.821 4.350 -0.000 0.000 0.282 106 T C 0.804 175.379 174.700 -0.209 0.000 1.020 106 T CA -0.048 61.881 62.100 -0.285 0.000 0.994 106 T CB 0.453 69.007 68.868 -0.523 0.000 1.180 106 T HN 0.582 nan 8.240 nan 0.000 0.566 107 F N -0.358 119.538 119.950 -0.089 0.000 2.451 107 F HA 0.256 4.783 4.527 -0.000 0.000 0.299 107 F C 1.741 177.518 175.800 -0.037 0.000 1.101 107 F CA 0.225 58.194 58.000 -0.051 0.000 1.436 107 F CB -1.086 37.892 39.000 -0.036 0.000 1.074 107 F HN 0.389 nan 8.300 nan 0.000 0.553 108 I N 0.808 120.786 120.570 -0.986 0.000 2.423 108 I HA -0.269 3.901 4.170 -0.000 0.000 0.254 108 I C 2.839 178.831 176.117 -0.208 0.000 1.151 108 I CA 1.382 62.301 61.300 -0.634 0.000 1.421 108 I CB -0.576 37.067 38.000 -0.595 0.000 1.079 108 I HN 0.243 nan 8.210 nan 0.000 0.431 109 R N 1.255 121.665 120.500 -0.150 0.000 2.080 109 R HA -0.213 4.127 4.340 -0.000 0.000 0.236 109 R C 1.876 178.182 176.300 0.009 0.000 1.137 109 R CA 2.205 58.290 56.100 -0.024 0.000 0.943 109 R CB -0.221 30.068 30.300 -0.020 0.000 0.846 109 R HN 0.290 nan 8.270 nan 0.000 0.431 110 D N -0.300 120.109 120.400 0.015 0.000 2.104 110 D HA -0.131 4.509 4.640 -0.000 0.000 0.194 110 D C 1.841 178.171 176.300 0.050 0.000 0.994 110 D CA 1.900 55.922 54.000 0.036 0.000 0.830 110 D CB -0.518 40.319 40.800 0.061 0.000 0.959 110 D HN 0.307 nan 8.370 nan 0.000 0.452 111 T N 1.463 116.064 114.554 0.079 0.000 2.684 111 T HA -0.118 4.232 4.350 -0.000 0.000 0.267 111 T C 2.233 176.970 174.700 0.061 0.000 1.036 111 T CA 0.710 62.864 62.100 0.091 0.000 1.148 111 T CB -0.317 68.628 68.868 0.129 0.000 0.863 111 T HN 0.131 nan 8.240 nan 0.000 0.436 112 L N -0.155 121.099 121.223 0.052 0.000 2.056 112 L HA -0.031 4.309 4.340 -0.000 0.000 0.207 112 L C 2.611 179.521 176.870 0.066 0.000 1.078 112 L CA 0.976 55.859 54.840 0.071 0.000 0.749 112 L CB -0.448 41.677 42.059 0.109 0.000 0.901 112 L HN 0.271 nan 8.230 nan 0.000 0.433 113 M N -0.158 119.475 119.600 0.055 0.000 2.159 113 M HA -0.192 4.288 4.480 -0.000 0.000 0.263 113 M C 2.319 178.636 176.300 0.029 0.000 1.063 113 M CA 1.677 57.005 55.300 0.047 0.000 1.110 113 M CB -0.417 32.204 32.600 0.036 0.000 1.374 113 M HN -0.016 nan 8.290 nan 0.000 0.411 114 R N -0.538 119.973 120.500 0.018 0.000 2.081 114 R HA -0.166 4.174 4.340 -0.000 0.000 0.235 114 R C 2.115 178.424 176.300 0.015 0.000 1.131 114 R CA 1.737 57.836 56.100 -0.001 0.000 0.960 114 R CB -0.586 29.718 30.300 0.006 0.000 0.856 114 R HN 0.435 nan 8.270 nan 0.000 0.436 115 L N 0.526 121.772 121.223 0.037 0.000 1.970 115 L HA -0.187 4.153 4.340 -0.000 0.000 0.212 115 L C 2.209 179.111 176.870 0.054 0.000 1.071 115 L CA 1.653 56.522 54.840 0.048 0.000 0.751 115 L CB -0.589 41.505 42.059 0.059 0.000 0.889 115 L HN -0.014 nan 8.230 nan 0.000 0.432 116 V N -0.619 119.334 119.914 0.065 0.000 2.282 116 V HA -0.325 3.795 4.120 -0.000 0.000 0.249 116 V C 2.541 178.676 176.094 0.069 0.000 1.057 116 V CA 1.816 64.164 62.300 0.081 0.000 1.032 116 V CB -0.659 31.225 31.823 0.102 0.000 0.645 116 V HN 0.387 nan 8.190 nan 0.000 0.447 117 L N 0.587 121.836 121.223 0.043 0.000 2.012 117 L HA -0.168 4.171 4.340 -0.000 0.000 0.210 117 L C 2.838 179.724 176.870 0.027 0.000 1.073 117 L CA 2.875 57.725 54.840 0.017 0.000 0.748 117 L CB -1.368 40.661 42.059 -0.049 0.000 0.891 117 L HN 0.687 nan 8.230 nan 0.000 0.431 118 T N -4.808 109.760 114.554 0.022 0.000 2.851 118 T HA -0.074 4.276 4.350 -0.000 0.000 0.262 118 T C 1.909 176.652 174.700 0.072 0.000 1.043 118 T CA 1.187 63.320 62.100 0.055 0.000 1.140 118 T CB -0.843 68.049 68.868 0.039 0.000 0.872 118 T HN 0.054 nan 8.240 nan 0.000 0.446 119 V N 1.861 121.812 119.914 0.062 0.000 2.358 119 V HA -0.107 4.013 4.120 -0.000 0.000 0.246 119 V C 3.139 179.274 176.094 0.068 0.000 1.047 119 V CA 1.492 63.829 62.300 0.063 0.000 1.035 119 V CB -0.642 31.220 31.823 0.065 0.000 0.658 119 V HN 0.354 nan 8.190 nan 0.000 0.452 120 R N 0.307 120.851 120.500 0.074 0.000 2.073 120 R HA -0.080 4.260 4.340 -0.000 0.000 0.234 120 R C 2.572 178.909 176.300 0.062 0.000 1.134 120 R CA 1.684 57.826 56.100 0.070 0.000 0.952 120 R CB -1.268 29.075 30.300 0.073 0.000 0.850 120 R HN 0.498 nan 8.270 nan 0.000 0.433 121 S N 1.708 117.462 115.700 0.091 0.000 2.370 121 S HA -0.099 4.371 4.470 -0.000 0.000 0.226 121 S C 1.536 176.172 174.600 0.060 0.000 1.033 121 S CA 1.174 59.443 58.200 0.116 0.000 1.011 121 S CB -0.292 63.079 63.200 0.285 0.000 0.852 121 S HN 0.345 nan 8.310 nan 0.000 0.457 122 N N 1.182 119.917 118.700 0.059 0.000 2.430 122 N HA -0.049 4.691 4.740 -0.000 0.000 0.186 122 N C 1.041 176.540 175.510 -0.018 0.000 1.032 122 N CA 0.558 53.620 53.050 0.019 0.000 0.893 122 N CB -0.334 38.170 38.487 0.028 0.000 0.957 122 N HN 0.225 nan 8.380 nan 0.000 0.442 123 L N 0.442 121.655 121.223 -0.017 0.000 2.552 123 L HA 0.113 4.453 4.340 -0.000 0.000 0.227 123 L C 0.257 177.057 176.870 -0.117 0.000 1.146 123 L CA 0.494 55.292 54.840 -0.071 0.000 0.858 123 L CB -0.059 41.997 42.059 -0.005 0.000 0.969 123 L HN 0.003 nan 8.230 nan 0.000 0.451 124 I N 1.882 122.406 120.570 -0.076 0.000 2.330 124 I HA 0.283 4.453 4.170 -0.000 0.000 0.289 124 I C -2.046 174.024 176.117 -0.079 0.000 1.001 124 I CA -2.449 58.810 61.300 -0.068 0.000 1.193 124 I CB 1.029 39.009 38.000 -0.033 0.000 1.345 124 I HN -0.046 nan 8.210 nan 0.000 0.461 125 P HA 0.103 nan 4.420 nan 0.000 0.267 125 P C -0.366 176.870 177.300 -0.108 0.000 1.205 125 P CA -0.009 63.025 63.100 -0.111 0.000 0.765 125 P CB 1.218 32.828 31.700 -0.150 0.000 0.828 126 S N 3.448 119.076 115.700 -0.119 0.000 2.720 126 S HA 0.436 4.906 4.470 -0.000 0.000 0.278 126 S C -2.607 171.927 174.600 -0.110 0.000 1.172 126 S CA -1.205 56.920 58.200 -0.126 0.000 1.019 126 S CB 0.639 63.723 63.200 -0.193 0.000 1.049 126 S HN 0.293 nan 8.310 nan 0.000 0.483 127 P HA 0.257 nan 4.420 nan 0.000 0.269 127 P C -2.672 174.599 177.300 -0.049 0.000 1.217 127 P CA -0.872 62.218 63.100 -0.017 0.000 0.783 127 P CB -0.561 31.160 31.700 0.037 0.000 0.898 128 P HA -0.032 nan 4.420 nan 0.000 0.270 128 P C 0.615 177.833 177.300 -0.137 0.000 1.223 128 P CA 0.098 63.140 63.100 -0.097 0.000 0.785 128 P CB 0.539 32.176 31.700 -0.105 0.000 0.923 129 T N -0.648 113.750 114.554 -0.260 0.000 3.608 129 T HA 0.154 4.504 4.350 -0.000 0.000 0.213 129 T C 0.669 175.184 174.700 -0.309 0.000 0.897 129 T CA 0.263 62.094 62.100 -0.448 0.000 1.533 129 T CB -0.844 67.383 68.868 -1.069 0.000 1.504 129 T HN 0.380 nan 8.240 nan 0.000 0.446 130 Y N 2.934 123.197 120.300 -0.061 0.000 2.488 130 Y HA 0.666 5.216 4.550 -0.000 0.000 0.325 130 Y C 0.470 176.282 175.900 -0.146 0.000 1.204 130 Y CA -1.341 56.690 58.100 -0.115 0.000 1.229 130 Y CB 0.862 39.268 38.460 -0.089 0.000 1.274 130 Y HN 0.621 nan 8.280 nan 0.000 0.493 131 N N -0.516 118.146 118.700 -0.063 0.000 2.831 131 N HA 0.185 4.925 4.740 -0.000 0.000 0.276 131 N C -0.184 175.221 175.510 -0.175 0.000 1.416 131 N CA -0.788 52.151 53.050 -0.184 0.000 0.799 131 N CB 0.448 38.636 38.487 -0.498 0.000 1.554 131 N HN 0.608 nan 8.380 nan 0.000 0.541 132 I N -0.545 119.945 120.570 -0.132 0.000 2.423 132 I HA -0.056 4.114 4.170 -0.000 0.000 0.254 132 I C 1.621 177.694 176.117 -0.074 0.000 1.151 132 I CA 1.780 63.034 61.300 -0.077 0.000 1.421 132 I CB -0.787 37.160 38.000 -0.088 0.000 1.079 132 I HN 0.726 nan 8.210 nan 0.000 0.431 133 A N -1.605 121.098 122.820 -0.194 0.000 1.997 133 A HA 0.110 4.430 4.320 -0.000 0.000 0.212 133 A C 0.415 177.911 177.584 -0.147 0.000 1.178 133 A CA 0.440 52.369 52.037 -0.180 0.000 0.698 133 A CB -0.283 18.542 19.000 -0.292 0.000 0.842 133 A HN 0.472 nan 8.150 nan 0.000 0.458 134 H N 0.401 119.251 119.070 -0.367 0.000 2.589 134 H HA 0.366 4.922 4.556 -0.000 0.000 0.335 134 H C -1.355 173.612 175.328 -0.601 0.000 1.019 134 H CA -1.353 54.282 56.048 -0.688 0.000 1.213 134 H CB 1.084 30.294 29.762 -0.920 0.000 1.472 134 H HN 0.149 nan 8.280 nan 0.000 0.508 135 D N 4.027 124.153 120.400 -0.456 0.000 3.072 135 D HA 0.100 4.740 4.640 -0.000 0.000 0.250 135 D C -0.406 175.604 176.300 -0.483 0.000 1.304 135 D CA 0.187 53.931 54.000 -0.426 0.000 0.861 135 D CB -0.068 40.605 40.800 -0.212 0.000 1.062 135 D HN 0.503 nan 8.370 nan 0.000 0.481 136 Y N -2.954 117.220 120.300 -0.209 0.000 2.687 136 Y HA 0.350 4.900 4.550 -0.000 0.000 0.338 136 Y C -0.829 175.243 175.900 0.286 0.000 1.189 136 Y CA -1.359 56.734 58.100 -0.011 0.000 1.097 136 Y CB 0.189 38.611 38.460 -0.063 0.000 1.342 136 Y HN -0.265 nan 8.280 nan 0.000 0.461 137 I N 3.341 124.201 120.570 0.482 0.000 2.648 137 I HA 0.407 4.577 4.170 -0.000 0.000 0.284 137 I C 0.253 176.550 176.117 0.301 0.000 1.153 137 I CA 0.659 62.137 61.300 0.296 0.000 1.426 137 I CB 0.883 39.003 38.000 0.199 0.000 1.381 137 I HN 0.779 nan 8.210 nan 0.000 0.571 138 S N 5.667 121.497 115.700 0.217 0.000 2.547 138 S HA 0.161 4.631 4.470 -0.000 0.000 0.270 138 S C 0.133 174.881 174.600 0.248 0.000 1.150 138 S CA -0.967 57.385 58.200 0.253 0.000 0.850 138 S CB 1.128 64.469 63.200 0.235 0.000 1.118 138 S HN 0.848 nan 8.310 nan 0.000 0.461 139 W N 1.656 123.053 121.300 0.162 0.000 2.363 139 W HA -0.113 4.547 4.660 -0.000 0.000 0.296 139 W C 1.537 178.191 176.519 0.225 0.000 1.212 139 W CA 2.380 59.843 57.345 0.197 0.000 1.260 139 W CB -0.160 29.387 29.460 0.146 0.000 1.131 139 W HN 1.056 nan 8.180 nan 0.000 0.530 140 E N 0.346 120.705 120.200 0.266 0.000 2.077 140 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 140 E C 2.283 178.872 176.600 -0.018 0.000 0.989 140 E CA 2.126 58.630 56.400 0.173 0.000 0.800 140 E CB -0.697 29.179 29.700 0.293 0.000 0.746 140 E HN 0.014 nan 8.360 nan 0.000 0.452 141 S N -1.296 114.392 115.700 -0.020 0.000 2.402 141 S HA -0.114 4.356 4.470 -0.000 0.000 0.229 141 S C 1.704 176.199 174.600 -0.176 0.000 1.021 141 S CA 1.020 59.113 58.200 -0.179 0.000 0.974 141 S CB -0.552 62.583 63.200 -0.109 0.000 0.800 141 S HN 0.478 nan 8.310 nan 0.000 0.484 142 F N 2.504 122.262 119.950 -0.322 0.000 2.206 142 F HA 0.046 4.573 4.527 -0.000 0.000 0.298 142 F C 2.372 177.893 175.800 -0.465 0.000 1.090 142 F CA 1.753 59.490 58.000 -0.439 0.000 1.323 142 F CB -0.524 38.088 39.000 -0.646 0.000 1.028 142 F HN 0.364 nan 8.300 nan 0.000 0.492 143 S N -1.129 114.134 115.700 -0.728 0.000 2.486 143 S HA 0.048 4.518 4.470 -0.000 0.000 0.220 143 S C 0.909 175.330 174.600 -0.300 0.000 1.011 143 S CA -0.110 57.716 58.200 -0.622 0.000 0.921 143 S CB -0.646 62.364 63.200 -0.316 0.000 0.785 143 S HN 0.309 nan 8.310 nan 0.000 0.517 144 N N 2.347 120.956 118.700 -0.151 0.000 2.508 144 N HA 0.206 4.946 4.740 -0.000 0.000 0.253 144 N C 0.593 176.135 175.510 0.052 0.000 1.145 144 N CA 0.037 53.110 53.050 0.038 0.000 0.973 144 N CB 0.946 39.594 38.487 0.269 0.000 1.305 144 N HN 0.116 nan 8.380 nan 0.000 0.506 145 V N 2.028 121.924 119.914 -0.030 0.000 3.078 145 V HA -0.123 3.997 4.120 -0.000 0.000 0.265 145 V C 1.787 177.969 176.094 0.147 0.000 1.122 145 V CA 1.255 63.554 62.300 -0.003 0.000 1.141 145 V CB -0.273 31.531 31.823 -0.031 0.000 0.735 145 V HN 0.550 nan 8.190 nan 0.000 0.498 146 S N -1.551 114.202 115.700 0.088 0.000 2.561 146 S HA 0.074 4.544 4.470 -0.000 0.000 0.225 146 S C 0.349 174.974 174.600 0.042 0.000 0.977 146 S CA 0.217 58.438 58.200 0.036 0.000 0.926 146 S CB -0.195 62.992 63.200 -0.022 0.000 0.769 146 S HN 0.574 nan 8.310 nan 0.000 0.533 147 Y N 0.351 120.659 120.300 0.014 0.000 2.310 147 Y HA 0.389 4.939 4.550 -0.000 0.000 0.326 147 Y C 0.060 175.918 175.900 -0.069 0.000 1.151 147 Y CA -1.031 56.973 58.100 -0.159 0.000 1.195 147 Y CB 0.423 38.769 38.460 -0.190 0.000 1.210 147 Y HN 0.037 nan 8.280 nan 0.000 0.483 148 Y N 0.850 121.213 120.300 0.105 0.000 2.301 148 Y HA 0.213 4.763 4.550 -0.000 0.000 0.328 148 Y C 0.903 176.833 175.900 0.051 0.000 1.242 148 Y CA -0.319 57.855 58.100 0.122 0.000 1.323 148 Y CB 1.140 39.629 38.460 0.048 0.000 1.266 148 Y HN 0.546 nan 8.280 nan 0.000 0.527 149 T N 2.536 117.225 114.554 0.226 0.000 2.852 149 T HA 0.741 5.091 4.350 -0.000 0.000 0.281 149 T C -0.875 173.882 174.700 0.095 0.000 0.993 149 T CA -0.741 61.408 62.100 0.082 0.000 0.933 149 T CB 0.487 69.369 68.868 0.023 0.000 1.187 149 T HN 0.746 nan 8.240 nan 0.000 0.559 150 R N 0.907 121.455 120.500 0.079 0.000 2.668 150 R HA 0.491 4.831 4.340 -0.000 0.000 0.272 150 R C 0.241 176.629 176.300 0.147 0.000 1.019 150 R CA -0.878 55.295 56.100 0.122 0.000 0.894 150 R CB 0.572 30.945 30.300 0.122 0.000 1.228 150 R HN 0.331 nan 8.270 nan 0.000 0.460 151 I N 1.149 121.860 120.570 0.235 0.000 2.333 151 I HA 0.088 4.258 4.170 -0.000 0.000 0.246 151 I C 0.828 177.019 176.117 0.123 0.000 1.106 151 I CA 0.761 62.169 61.300 0.181 0.000 1.411 151 I CB -0.702 37.488 38.000 0.316 0.000 1.082 151 I HN 0.533 nan 8.210 nan 0.000 0.420 152 L N 2.618 123.930 121.223 0.148 0.000 2.334 152 L HA 0.370 4.710 4.340 -0.000 0.000 0.276 152 L C -2.175 174.767 176.870 0.121 0.000 1.014 152 L CA -1.748 53.099 54.840 0.011 0.000 0.815 152 L CB 1.938 43.752 42.059 -0.409 0.000 1.268 152 L HN -0.103 nan 8.230 nan 0.000 0.428 153 P HA 0.053 nan 4.420 nan 0.000 0.272 153 P C -0.479 176.810 177.300 -0.017 0.000 1.240 153 P CA -0.371 62.685 63.100 -0.072 0.000 0.791 153 P CB 0.860 32.377 31.700 -0.306 0.000 0.978 154 S N -0.042 115.651 115.700 -0.012 0.000 2.617 154 S HA 0.146 4.616 4.470 -0.000 0.000 0.259 154 S C 0.329 174.968 174.600 0.065 0.000 1.301 154 S CA -0.729 57.490 58.200 0.032 0.000 0.984 154 S CB -0.162 63.054 63.200 0.025 0.000 0.954 154 S HN 0.262 nan 8.310 nan 0.000 0.572 155 V N 3.380 123.353 119.914 0.098 0.000 2.439 155 V HA 0.237 4.357 4.120 -0.000 0.000 0.271 155 V C -2.073 174.058 176.094 0.061 0.000 1.040 155 V CA -1.440 60.943 62.300 0.138 0.000 1.002 155 V CB -0.098 31.812 31.823 0.146 0.000 1.000 155 V HN 0.757 nan 8.190 nan 0.000 0.477 156 P HA 0.015 nan 4.420 nan 0.000 0.261 156 P C 0.765 178.064 177.300 -0.001 0.000 1.165 156 P CA 0.324 63.422 63.100 -0.004 0.000 0.759 156 P CB 0.339 32.014 31.700 -0.041 0.000 0.772 157 R N 2.502 123.008 120.500 0.010 0.000 2.249 157 R HA -0.129 4.211 4.340 -0.000 0.000 0.230 157 R C 0.884 177.185 176.300 0.002 0.000 1.121 157 R CA 1.410 57.518 56.100 0.014 0.000 0.997 157 R CB -0.338 29.976 30.300 0.024 0.000 0.867 157 R HN 0.635 nan 8.270 nan 0.000 0.465 158 D N -0.829 119.564 120.400 -0.012 0.000 2.525 158 D HA 0.024 4.664 4.640 -0.000 0.000 0.229 158 D C -0.230 176.043 176.300 -0.044 0.000 1.202 158 D CA -0.347 53.641 54.000 -0.020 0.000 0.828 158 D CB -0.421 40.370 40.800 -0.014 0.000 1.008 158 D HN -0.030 nan 8.370 nan 0.000 0.493 159 c N 2.029 120.594 118.600 -0.059 0.000 2.459 159 c HA 0.263 4.833 4.570 -0.000 0.000 0.374 159 c C -0.198 173.844 174.090 -0.080 0.000 1.241 159 c CA -1.076 55.190 56.329 -0.106 0.000 2.352 159 c CB 1.621 44.049 42.510 -0.137 0.000 2.490 159 c HN 0.259 nan 8.230 nan 0.000 0.583 160 P HA -0.081 nan 4.420 nan 0.000 0.218 160 P C 0.454 177.732 177.300 -0.038 0.000 1.148 160 P CA 1.682 64.743 63.100 -0.064 0.000 0.822 160 P CB -0.122 31.531 31.700 -0.079 0.000 0.784 161 T N -6.047 108.482 114.554 -0.042 0.000 2.930 161 T HA 0.468 4.818 4.350 -0.000 0.000 0.290 161 T C -2.382 172.329 174.700 0.019 0.000 1.052 161 T CA -2.203 59.898 62.100 0.001 0.000 1.017 161 T CB 2.033 70.913 68.868 0.019 0.000 1.137 161 T HN -0.313 nan 8.240 nan 0.000 0.511 162 P HA 0.003 nan 4.420 nan 0.000 0.218 162 P C 1.268 178.628 177.300 0.100 0.000 1.148 162 P CA 1.039 64.181 63.100 0.069 0.000 0.822 162 P CB 0.032 31.780 31.700 0.081 0.000 0.784 163 M N -2.589 117.084 119.600 0.121 0.000 2.428 163 M HA 0.303 4.783 4.480 -0.000 0.000 0.239 163 M C 1.343 177.758 176.300 0.192 0.000 1.121 163 M CA 0.645 56.049 55.300 0.173 0.000 1.019 163 M CB -0.454 32.263 32.600 0.195 0.000 1.485 163 M HN 0.095 nan 8.290 nan 0.000 0.484 164 G N -0.005 108.833 108.800 0.063 0.000 2.261 164 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.228 164 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.228 164 G C 0.866 175.645 174.900 -0.203 0.000 2.090 164 G CA 0.284 45.323 45.100 -0.102 0.000 1.588 164 G HN 0.206 nan 8.290 nan 0.000 0.520 165 T N 1.572 116.020 114.554 -0.176 0.000 2.964 165 T HA 0.313 4.663 4.350 -0.000 0.000 0.250 165 T C 0.707 175.387 174.700 -0.033 0.000 0.982 165 T CA 0.748 62.733 62.100 -0.191 0.000 0.959 165 T CB 0.261 68.933 68.868 -0.326 0.000 1.141 165 T HN 0.283 nan 8.240 nan 0.000 0.494 166 K N 1.306 121.727 120.400 0.036 0.000 2.132 166 K HA 0.660 4.980 4.320 -0.000 0.000 0.241 166 K C 0.775 177.439 176.600 0.106 0.000 1.000 166 K CA 0.009 56.345 56.287 0.082 0.000 0.911 166 K CB 0.703 33.268 32.500 0.108 0.000 1.093 166 K HN 0.388 nan 8.250 nan 0.000 0.460 167 G N 0.793 109.670 108.800 0.128 0.000 2.728 167 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.294 167 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.294 167 G C -0.972 173.991 174.900 0.105 0.000 1.342 167 G CA -0.627 44.565 45.100 0.154 0.000 0.866 167 G HN 0.445 nan 8.290 nan 0.000 0.534 168 K N 0.037 120.495 120.400 0.096 0.000 2.090 168 K HA 0.424 4.744 4.320 -0.000 0.000 0.249 168 K C 1.141 177.768 176.600 0.045 0.000 0.995 168 K CA -0.875 55.446 56.287 0.056 0.000 0.914 168 K CB 0.920 33.441 32.500 0.034 0.000 1.057 168 K HN 0.303 nan 8.250 nan 0.000 0.462 169 K N 0.940 121.357 120.400 0.028 0.000 2.209 169 K HA -0.143 4.177 4.320 -0.000 0.000 0.204 169 K C 0.417 177.029 176.600 0.021 0.000 1.048 169 K CA 1.334 57.634 56.287 0.022 0.000 0.940 169 K CB 0.080 32.588 32.500 0.013 0.000 0.729 169 K HN 0.519 nan 8.250 nan 0.000 0.451 170 Q N 0.599 120.408 119.800 0.014 0.000 2.337 170 Q HA 0.224 4.564 4.340 -0.000 0.000 0.270 170 Q C -1.234 174.763 176.000 -0.005 0.000 1.043 170 Q CA -0.726 55.081 55.803 0.006 0.000 0.794 170 Q CB 1.314 30.048 28.738 -0.006 0.000 1.281 170 Q HN -0.140 nan 8.270 nan 0.000 0.446 171 L N 4.349 125.573 121.223 0.002 0.000 2.453 171 L HA 0.397 4.737 4.340 -0.000 0.000 0.261 171 L C -1.990 174.828 176.870 -0.086 0.000 1.179 171 L CA -1.595 53.224 54.840 -0.034 0.000 0.813 171 L CB -0.252 41.827 42.059 0.032 0.000 1.110 171 L HN 0.615 nan 8.230 nan 0.000 0.466 172 P HA 0.004 nan 4.420 nan 0.000 0.267 172 P C -0.937 176.355 177.300 -0.014 0.000 1.200 172 P CA -0.318 62.700 63.100 -0.137 0.000 0.772 172 P CB 0.274 31.811 31.700 -0.273 0.000 0.855 173 D N 1.653 122.077 120.400 0.040 0.000 2.487 173 D HA 0.097 4.737 4.640 -0.000 0.000 0.243 173 D C 1.243 177.622 176.300 0.132 0.000 1.154 173 D CA 0.307 54.353 54.000 0.077 0.000 0.876 173 D CB 0.620 41.465 40.800 0.076 0.000 1.161 173 D HN 0.323 nan 8.370 nan 0.000 0.478 174 A N 4.017 126.896 122.820 0.097 0.000 1.873 174 A HA -0.259 4.061 4.320 -0.000 0.000 0.218 174 A C 1.965 179.618 177.584 0.116 0.000 1.193 174 A CA 2.048 54.147 52.037 0.103 0.000 0.629 174 A CB -0.842 18.204 19.000 0.076 0.000 0.826 174 A HN 0.773 nan 8.150 nan 0.000 0.447 175 E N -0.782 119.486 120.200 0.112 0.000 2.033 175 E HA -0.231 4.119 4.350 -0.000 0.000 0.199 175 E C 1.716 178.391 176.600 0.125 0.000 1.011 175 E CA 1.873 58.337 56.400 0.107 0.000 0.815 175 E CB -0.573 29.187 29.700 0.100 0.000 0.755 175 E HN 0.521 nan 8.360 nan 0.000 0.451 176 F N 0.238 120.199 119.950 0.018 0.000 2.095 176 F HA -0.182 4.345 4.527 -0.000 0.000 0.298 176 F C 2.010 177.832 175.800 0.036 0.000 1.104 176 F CA 1.502 59.505 58.000 0.005 0.000 1.232 176 F CB -0.625 38.373 39.000 -0.004 0.000 0.987 176 F HN 0.210 nan 8.300 nan 0.000 0.475 177 L N -0.053 121.239 121.223 0.113 0.000 2.042 177 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 177 L C 2.517 179.454 176.870 0.113 0.000 1.076 177 L CA 2.136 57.067 54.840 0.153 0.000 0.749 177 L CB -1.201 40.978 42.059 0.201 0.000 0.893 177 L HN 0.157 nan 8.230 nan 0.000 0.432 178 S N -1.037 114.701 115.700 0.062 0.000 2.357 178 S HA -0.090 4.380 4.470 -0.000 0.000 0.221 178 S C 1.997 176.574 174.600 -0.038 0.000 1.031 178 S CA 0.655 58.885 58.200 0.050 0.000 0.982 178 S CB -0.203 63.036 63.200 0.066 0.000 0.853 178 S HN 0.365 nan 8.310 nan 0.000 0.458 179 R N 1.179 121.615 120.500 -0.107 0.000 2.096 179 R HA 0.110 4.450 4.340 -0.000 0.000 0.235 179 R C 2.326 178.438 176.300 -0.315 0.000 1.127 179 R CA 0.832 56.835 56.100 -0.162 0.000 0.968 179 R CB -0.372 29.845 30.300 -0.138 0.000 0.861 179 R HN 0.301 nan 8.270 nan 0.000 0.440 180 R N -0.527 119.630 120.500 -0.572 0.000 2.073 180 R HA -0.014 4.326 4.340 -0.000 0.000 0.229 180 R C 1.485 177.220 176.300 -0.942 0.000 1.120 180 R CA 1.185 56.714 56.100 -0.953 0.000 0.967 180 R CB -0.019 29.313 30.300 -1.613 0.000 0.862 180 R HN 0.229 nan 8.270 nan 0.000 0.436 181 F N -1.402 118.437 119.950 -0.184 0.000 2.746 181 F HA 0.263 4.790 4.527 -0.000 0.000 0.320 181 F C 1.604 177.347 175.800 -0.095 0.000 1.097 181 F CA -0.084 57.840 58.000 -0.126 0.000 1.195 181 F CB 0.416 39.349 39.000 -0.113 0.000 1.056 181 F HN -0.183 nan 8.300 nan 0.000 0.562 182 L N -0.711 120.547 121.223 0.059 0.000 2.803 182 L HA 0.291 4.631 4.340 -0.000 0.000 0.246 182 L C 0.577 177.462 176.870 0.026 0.000 1.100 182 L CA 0.067 54.932 54.840 0.042 0.000 0.919 182 L CB 0.826 42.923 42.059 0.063 0.000 1.285 182 L HN 0.002 nan 8.230 nan 0.000 0.522 183 L N 2.563 123.785 121.223 -0.002 0.000 2.499 183 L HA 0.046 4.386 4.340 -0.000 0.000 0.273 183 L C 0.718 177.598 176.870 0.016 0.000 1.195 183 L CA 0.258 55.104 54.840 0.010 0.000 0.882 183 L CB 0.648 42.694 42.059 -0.022 0.000 1.133 183 L HN 0.258 nan 8.230 nan 0.000 0.483 184 R N 4.555 125.087 120.500 0.053 0.000 2.438 184 R HA 0.188 4.528 4.340 -0.000 0.000 0.287 184 R C 0.316 176.652 176.300 0.059 0.000 1.077 184 R CA -0.063 56.073 56.100 0.061 0.000 1.034 184 R CB 0.861 31.228 30.300 0.111 0.000 0.993 184 R HN 0.763 nan 8.270 nan 0.000 0.459 185 R N 2.005 122.527 120.500 0.037 0.000 2.107 185 R HA 0.135 4.475 4.340 -0.000 0.000 0.195 185 R C -0.146 176.187 176.300 0.055 0.000 1.214 185 R CA 0.100 56.218 56.100 0.030 0.000 1.129 185 R CB 0.058 30.355 30.300 -0.003 0.000 1.045 185 R HN 0.229 nan 8.270 nan 0.000 0.489 186 K N 1.063 121.490 120.400 0.046 0.000 2.323 186 K HA 0.182 4.502 4.320 -0.000 0.000 0.259 186 K C -1.318 175.335 176.600 0.088 0.000 0.947 186 K CA -0.743 55.585 56.287 0.070 0.000 0.819 186 K CB 0.838 33.358 32.500 0.034 0.000 1.109 186 K HN -0.066 nan 8.250 nan 0.000 0.429 187 F N 5.847 125.797 119.950 0.001 0.000 2.590 187 F HA 0.183 4.710 4.527 -0.000 0.000 0.389 187 F C -0.383 175.402 175.800 -0.024 0.000 1.049 187 F CA 0.306 58.300 58.000 -0.010 0.000 1.199 187 F CB 0.180 39.170 39.000 -0.016 0.000 1.058 187 F HN 0.432 nan 8.300 nan 0.000 0.556 188 I N 9.547 129.632 120.570 -0.808 0.000 2.330 188 I HA 0.258 4.428 4.170 -0.000 0.000 0.286 188 I C -2.041 173.431 176.117 -1.076 0.000 1.025 188 I CA -2.145 58.737 61.300 -0.696 0.000 1.197 188 I CB 0.887 38.665 38.000 -0.371 0.000 1.358 188 I HN 0.448 nan 8.210 nan 0.000 0.467 189 P HA 0.029 nan 4.420 nan 0.000 0.274 189 P C -0.792 176.306 177.300 -0.336 0.000 1.237 189 P CA -0.262 62.500 63.100 -0.563 0.000 0.793 189 P CB 0.957 32.591 31.700 -0.111 0.000 0.977 190 D N 2.718 122.968 120.400 -0.251 0.000 2.371 190 D HA 0.049 4.689 4.640 -0.000 0.000 0.256 190 D C -1.050 175.116 176.300 -0.223 0.000 1.193 190 D CA -1.982 51.859 54.000 -0.264 0.000 0.881 190 D CB 0.353 40.968 40.800 -0.308 0.000 1.143 190 D HN 0.169 nan 8.370 nan 0.000 0.473 191 P HA -0.194 nan 4.420 nan 0.000 0.219 191 P C 0.609 177.814 177.300 -0.159 0.000 1.146 191 P CA 1.133 64.145 63.100 -0.148 0.000 0.808 191 P CB 0.218 31.846 31.700 -0.120 0.000 0.779 192 Q N -0.894 118.765 119.800 -0.236 0.000 2.482 192 Q HA 0.172 4.512 4.340 -0.000 0.000 0.209 192 Q C 1.242 176.997 176.000 -0.408 0.000 0.961 192 Q CA 0.567 56.212 55.803 -0.263 0.000 0.945 192 Q CB -0.392 28.146 28.738 -0.333 0.000 1.012 192 Q HN 0.300 nan 8.270 nan 0.000 0.515 193 G N 1.287 109.853 108.800 -0.391 0.000 2.143 193 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.248 193 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.248 193 G C 0.143 174.698 174.900 -0.575 0.000 0.991 193 G CA 0.260 45.044 45.100 -0.527 0.000 0.689 193 G HN 0.307 nan 8.290 nan 0.000 0.522 194 T N 1.413 115.684 114.554 -0.472 0.000 2.928 194 T HA 0.419 4.769 4.350 -0.000 0.000 0.305 194 T C 0.806 175.416 174.700 -0.150 0.000 1.035 194 T CA 0.735 62.590 62.100 -0.409 0.000 1.145 194 T CB 0.827 69.323 68.868 -0.620 0.000 0.963 194 T HN 0.844 nan 8.240 nan 0.000 0.545 195 N N 2.192 120.906 118.700 0.023 0.000 2.563 195 N HA 0.342 5.082 4.740 -0.000 0.000 0.288 195 N C 0.802 176.425 175.510 0.188 0.000 1.246 195 N CA -1.138 51.995 53.050 0.138 0.000 0.946 195 N CB 0.376 39.004 38.487 0.235 0.000 1.213 195 N HN 0.377 nan 8.380 nan 0.000 0.578 196 L N -1.200 120.115 121.223 0.153 0.000 2.291 196 L HA 0.001 4.341 4.340 -0.000 0.000 0.214 196 L C 2.015 178.994 176.870 0.182 0.000 1.120 196 L CA 0.781 55.616 54.840 -0.008 0.000 0.799 196 L CB -0.409 41.589 42.059 -0.102 0.000 0.925 196 L HN 0.582 nan 8.230 nan 0.000 0.446 197 M N 0.029 119.902 119.600 0.455 0.000 2.159 197 M HA -0.245 4.235 4.480 -0.000 0.000 0.263 197 M C 2.021 178.777 176.300 0.760 0.000 1.063 197 M CA 1.892 57.584 55.300 0.654 0.000 1.110 197 M CB -0.513 32.416 32.600 0.550 0.000 1.374 197 M HN 0.185 nan 8.290 nan 0.000 0.411 198 F N 0.269 120.502 119.950 0.472 0.000 2.128 198 F HA 0.013 4.540 4.527 -0.000 0.000 0.295 198 F C 2.085 178.011 175.800 0.210 0.000 1.100 198 F CA 1.661 59.795 58.000 0.223 0.000 1.260 198 F CB -0.776 38.218 39.000 -0.010 0.000 1.009 198 F HN 0.172 nan 8.300 nan 0.000 0.476 199 A N 0.302 123.325 122.820 0.338 0.000 1.917 199 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 199 A C 2.013 179.598 177.584 0.001 0.000 1.182 199 A CA 2.012 54.124 52.037 0.125 0.000 0.633 199 A CB -1.505 17.443 19.000 -0.087 0.000 0.819 199 A HN 0.466 nan 8.150 nan 0.000 0.448 200 F N -1.814 118.244 119.950 0.179 0.000 2.259 200 F HA 0.043 4.570 4.527 -0.000 0.000 0.298 200 F C 1.924 177.722 175.800 -0.005 0.000 1.088 200 F CA 0.325 58.395 58.000 0.117 0.000 1.358 200 F CB -0.914 38.197 39.000 0.186 0.000 1.040 200 F HN 0.345 nan 8.300 nan 0.000 0.505 201 F N 0.745 120.681 119.950 -0.023 0.000 2.075 201 F HA -0.163 4.364 4.527 -0.000 0.000 0.297 201 F C 2.427 178.059 175.800 -0.280 0.000 1.113 201 F CA 1.550 59.246 58.000 -0.507 0.000 1.218 201 F CB -0.586 38.231 39.000 -0.304 0.000 0.984 201 F HN -0.073 nan 8.300 nan 0.000 0.472 202 A N -0.034 122.836 122.820 0.083 0.000 1.884 202 A HA -0.352 3.968 4.320 -0.000 0.000 0.219 202 A C 2.210 179.742 177.584 -0.086 0.000 1.197 202 A CA 2.218 54.318 52.037 0.103 0.000 0.637 202 A CB -1.303 17.834 19.000 0.228 0.000 0.827 202 A HN 0.634 nan 8.150 nan 0.000 0.450 203 Q N -1.600 118.147 119.800 -0.088 0.000 2.020 203 Q HA -0.290 4.050 4.340 -0.000 0.000 0.202 203 Q C 2.068 177.851 176.000 -0.361 0.000 0.982 203 Q CA 2.196 57.859 55.803 -0.234 0.000 0.838 203 Q CB -0.302 28.329 28.738 -0.177 0.000 0.899 203 Q HN 0.886 nan 8.270 nan 0.000 0.423 204 H N -0.489 118.329 119.070 -0.419 0.000 2.290 204 H HA -0.207 4.349 4.556 -0.000 0.000 0.298 204 H C 1.701 176.819 175.328 -0.349 0.000 1.087 204 H CA 2.307 58.078 56.048 -0.462 0.000 1.291 204 H CB -0.623 28.807 29.762 -0.553 0.000 1.369 204 H HN 0.375 nan 8.280 nan 0.000 0.492 205 F N 1.220 120.768 119.950 -0.671 0.000 2.095 205 F HA -0.233 4.294 4.527 -0.000 0.000 0.298 205 F C 2.682 177.865 175.800 -1.028 0.000 1.104 205 F CA 2.459 59.970 58.000 -0.815 0.000 1.232 205 F CB -1.050 37.520 39.000 -0.716 0.000 0.987 205 F HN 0.405 nan 8.300 nan 0.000 0.475 206 T N -2.894 110.979 114.554 -1.136 0.000 2.867 206 T HA -0.198 4.152 4.350 -0.000 0.000 0.268 206 T C 1.574 175.379 174.700 -1.493 0.000 1.057 206 T CA 1.626 62.652 62.100 -1.789 0.000 1.136 206 T CB -0.955 67.266 68.868 -1.077 0.000 0.874 206 T HN 0.374 nan 8.240 nan 0.000 0.466 207 H N 1.722 120.244 119.070 -0.914 0.000 2.567 207 H HA 0.097 4.653 4.556 -0.000 0.000 0.276 207 H C 2.349 177.263 175.328 -0.689 0.000 1.016 207 H CA 1.033 56.739 56.048 -0.571 0.000 1.186 207 H CB -0.322 29.344 29.762 -0.160 0.000 1.351 207 H HN 0.766 nan 8.280 nan 0.000 0.605 208 Q N 0.009 119.211 119.800 -0.998 0.000 2.302 208 Q HA -0.045 4.295 4.340 -0.000 0.000 0.202 208 Q C 0.750 176.380 176.000 -0.617 0.000 0.936 208 Q CA 0.887 56.177 55.803 -0.854 0.000 0.886 208 Q CB 0.009 27.986 28.738 -1.267 0.000 0.986 208 Q HN 0.565 nan 8.270 nan 0.000 0.487 209 F N -2.935 116.590 119.950 -0.709 0.000 2.706 209 F HA 0.512 5.038 4.527 -0.000 0.000 0.313 209 F C -0.449 174.984 175.800 -0.611 0.000 1.096 209 F CA -1.127 56.474 58.000 -0.664 0.000 1.219 209 F CB 0.612 39.177 39.000 -0.725 0.000 1.051 209 F HN -0.207 nan 8.300 nan 0.000 0.568 210 F N 3.240 122.934 119.950 -0.427 0.000 2.359 210 F HA 0.511 5.038 4.527 -0.000 0.000 0.369 210 F C -0.216 175.373 175.800 -0.352 0.000 1.084 210 F CA -1.553 56.263 58.000 -0.307 0.000 1.096 210 F CB 1.268 39.942 39.000 -0.543 0.000 1.335 210 F HN -0.073 nan 8.300 nan 0.000 0.457 211 K N 2.077 122.476 120.400 -0.003 0.000 2.895 211 K HA 0.222 4.542 4.320 -0.000 0.000 0.191 211 K C -0.475 176.108 176.600 -0.027 0.000 1.117 211 K CA -0.328 55.903 56.287 -0.093 0.000 0.988 211 K CB 1.284 33.686 32.500 -0.163 0.000 1.181 211 K HN 0.326 nan 8.250 nan 0.000 0.598 212 T N 1.294 115.888 114.554 0.066 0.000 2.902 212 T HA -0.029 4.321 4.350 -0.000 0.000 0.301 212 T C 0.459 175.175 174.700 0.027 0.000 1.012 212 T CA 0.462 62.628 62.100 0.110 0.000 1.151 212 T CB 0.873 69.845 68.868 0.174 0.000 0.946 212 T HN 0.271 nan 8.240 nan 0.000 0.542 213 S N 2.353 118.061 115.700 0.012 0.000 2.505 213 S HA 0.353 4.823 4.470 -0.000 0.000 0.276 213 S C 1.563 176.166 174.600 0.005 0.000 1.274 213 S CA -0.445 57.747 58.200 -0.013 0.000 1.053 213 S CB 0.505 63.677 63.200 -0.046 0.000 0.919 213 S HN 0.839 nan 8.310 nan 0.000 0.490 214 G N 4.885 113.677 108.800 -0.014 0.000 2.408 214 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.215 214 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.215 214 G C 1.535 176.416 174.900 -0.031 0.000 1.156 214 G CA 0.428 45.520 45.100 -0.013 0.000 0.793 214 G HN 0.780 nan 8.290 nan 0.000 0.535 215 K N 0.227 120.593 120.400 -0.055 0.000 2.097 215 K HA 0.067 4.387 4.320 -0.000 0.000 0.205 215 K C 2.152 178.677 176.600 -0.126 0.000 1.050 215 K CA 0.960 57.199 56.287 -0.080 0.000 0.938 215 K CB -0.427 32.021 32.500 -0.087 0.000 0.718 215 K HN 0.350 nan 8.250 nan 0.000 0.442 216 M N 0.614 120.110 119.600 -0.173 0.000 2.476 216 M HA 0.125 4.605 4.480 -0.000 0.000 0.262 216 M C 0.588 176.802 176.300 -0.145 0.000 1.111 216 M CA 0.698 55.792 55.300 -0.344 0.000 1.127 216 M CB 0.278 32.482 32.600 -0.660 0.000 1.376 216 M HN 0.478 nan 8.290 nan 0.000 0.465 217 G N 1.305 110.125 108.800 0.032 0.000 2.655 217 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.680 217 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.680 217 G C -3.055 171.992 174.900 0.245 0.000 1.302 217 G CA -1.257 43.926 45.100 0.139 0.000 0.872 217 G HN 0.092 nan 8.290 nan 0.000 0.540 218 P HA 0.378 nan 4.420 nan 0.000 0.269 218 P C 1.126 178.508 177.300 0.137 0.000 1.215 218 P CA 1.869 65.059 63.100 0.149 0.000 0.780 218 P CB 0.800 32.547 31.700 0.078 0.000 0.898 219 G N 0.325 109.206 108.800 0.136 0.000 2.176 219 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.253 219 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.253 219 G C -0.282 174.447 174.900 -0.286 0.000 0.979 219 G CA -0.325 44.773 45.100 -0.003 0.000 0.641 219 G HN 0.451 nan 8.290 nan 0.000 0.530 220 F N 0.461 120.421 119.950 0.017 0.000 2.532 220 F HA 0.733 5.260 4.527 -0.000 0.000 0.321 220 F C 0.449 176.001 175.800 -0.414 0.000 1.089 220 F CA -0.163 57.693 58.000 -0.240 0.000 0.926 220 F CB 2.563 41.423 39.000 -0.233 0.000 1.168 220 F HN 0.067 nan 8.300 nan 0.000 0.459 221 T N 1.002 115.310 114.554 -0.411 0.000 2.916 221 T HA 0.383 4.733 4.350 -0.000 0.000 0.292 221 T C 0.238 174.776 174.700 -0.270 0.000 1.055 221 T CA -0.634 61.166 62.100 -0.500 0.000 1.009 221 T CB 1.599 69.866 68.868 -1.001 0.000 1.118 221 T HN 0.734 nan 8.240 nan 0.000 0.497 222 K N 1.421 121.691 120.400 -0.217 0.000 2.353 222 K HA 0.347 4.667 4.320 -0.000 0.000 0.195 222 K C 0.889 177.378 176.600 -0.186 0.000 1.031 222 K CA -0.032 56.156 56.287 -0.165 0.000 1.079 222 K CB 0.581 33.005 32.500 -0.125 0.000 0.857 222 K HN 0.530 nan 8.250 nan 0.000 0.535 223 A N 2.521 125.191 122.820 -0.249 0.000 3.077 223 A HA 0.201 4.521 4.320 -0.000 0.000 0.255 223 A C 0.272 177.667 177.584 -0.314 0.000 1.728 223 A CA -0.266 51.615 52.037 -0.260 0.000 1.383 223 A CB -0.878 17.960 19.000 -0.270 0.000 1.097 223 A HN 0.161 nan 8.150 nan 0.000 0.634 224 L N -0.329 120.779 121.223 -0.191 0.000 2.492 224 L HA 0.316 4.656 4.340 -0.000 0.000 0.280 224 L C 1.638 178.481 176.870 -0.045 0.000 1.240 224 L CA 1.028 55.826 54.840 -0.070 0.000 0.831 224 L CB 0.068 42.112 42.059 -0.025 0.000 1.100 224 L HN 0.728 nan 8.230 nan 0.000 0.505 225 G N -0.745 108.106 108.800 0.084 0.000 2.376 225 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.208 225 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.208 225 G C 0.401 175.359 174.900 0.096 0.000 1.032 225 G CA -0.003 45.127 45.100 0.050 0.000 0.641 225 G HN 0.847 nan 8.290 nan 0.000 0.503 226 H N 1.227 120.264 119.070 -0.054 0.000 2.557 226 H HA -0.103 4.453 4.556 -0.000 0.000 0.319 226 H C 1.196 176.453 175.328 -0.119 0.000 1.102 226 H CA 2.039 58.050 56.048 -0.061 0.000 1.126 226 H CB -1.413 28.318 29.762 -0.051 0.000 1.498 226 H HN 1.966 nan 8.280 nan 0.000 0.411 227 G N -1.635 107.119 108.800 -0.077 0.000 2.392 227 G HA2 0.216 4.176 3.960 -0.000 0.000 0.260 227 G HA3 0.216 4.176 3.960 -0.000 0.000 0.260 227 G C -0.799 174.062 174.900 -0.064 0.000 1.226 227 G CA -0.271 44.719 45.100 -0.183 0.000 0.913 227 G HN 0.144 nan 8.290 nan 0.000 0.483 228 V N 2.636 122.532 119.914 -0.030 0.000 2.229 228 V HA 0.268 4.388 4.120 -0.000 0.000 0.245 228 V C 0.404 176.547 176.094 0.080 0.000 1.243 228 V CA 0.868 63.197 62.300 0.049 0.000 1.176 228 V CB 0.273 32.185 31.823 0.149 0.000 1.323 228 V HN 0.771 nan 8.190 nan 0.000 0.499 229 D N 3.338 123.772 120.400 0.056 0.000 2.469 229 D HA 0.037 4.677 4.640 -0.000 0.000 0.213 229 D C 0.823 177.211 176.300 0.147 0.000 1.135 229 D CA -0.479 53.577 54.000 0.092 0.000 0.834 229 D CB 0.483 41.320 40.800 0.061 0.000 1.009 229 D HN 0.261 nan 8.370 nan 0.000 0.507 230 L N 0.730 122.038 121.223 0.141 0.000 3.865 230 L HA -0.157 4.183 4.340 -0.000 0.000 0.408 230 L C 1.713 178.742 176.870 0.265 0.000 1.209 230 L CA 0.660 55.642 54.840 0.237 0.000 0.940 230 L CB -2.021 40.178 42.059 0.234 0.000 1.971 230 L HN 0.326 nan 8.230 nan 0.000 0.899 231 G N -0.682 108.222 108.800 0.172 0.000 2.498 231 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.219 231 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.219 231 G C 1.173 176.086 174.900 0.022 0.000 1.119 231 G CA 0.766 45.919 45.100 0.088 0.000 0.766 231 G HN 0.814 nan 8.290 nan 0.000 0.552 232 H N -0.479 118.433 119.070 -0.263 0.000 2.547 232 H HA 0.258 4.814 4.556 -0.000 0.000 0.266 232 H C 1.805 176.993 175.328 -0.233 0.000 0.988 232 H CA -0.019 55.819 56.048 -0.350 0.000 1.147 232 H CB -0.228 29.294 29.762 -0.401 0.000 1.365 232 H HN 0.446 nan 8.280 nan 0.000 0.589 233 I N -0.992 119.315 120.570 -0.439 0.000 3.718 233 I HA -0.026 4.144 4.170 -0.000 0.000 0.297 233 I C 0.948 176.751 176.117 -0.524 0.000 1.220 233 I CA 0.142 61.095 61.300 -0.579 0.000 1.381 233 I CB 0.236 37.682 38.000 -0.923 0.000 1.238 233 I HN -0.017 nan 8.210 nan 0.000 0.448 234 Y N 1.402 121.675 120.300 -0.045 0.000 2.449 234 Y HA 0.496 5.046 4.550 -0.000 0.000 0.254 234 Y C 1.116 177.016 175.900 -0.001 0.000 1.140 234 Y CA -0.005 58.109 58.100 0.024 0.000 1.272 234 Y CB 0.228 38.753 38.460 0.108 0.000 1.114 234 Y HN 0.124 nan 8.280 nan 0.000 0.525 235 G N 1.170 110.001 108.800 0.053 0.000 2.675 235 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.686 235 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.686 235 G C -0.429 174.465 174.900 -0.010 0.000 1.215 235 G CA -0.332 44.762 45.100 -0.010 0.000 0.777 235 G HN 0.313 nan 8.290 nan 0.000 0.638 236 D N -0.376 119.987 120.400 -0.061 0.000 2.328 236 D HA 0.128 4.768 4.640 -0.000 0.000 0.221 236 D C 0.763 177.027 176.300 -0.061 0.000 1.072 236 D CA 0.613 54.573 54.000 -0.067 0.000 0.850 236 D CB -0.049 40.688 40.800 -0.105 0.000 0.922 236 D HN 0.823 nan 8.370 nan 0.000 0.516 237 N N -0.363 118.301 118.700 -0.060 0.000 2.484 237 N HA 0.069 4.809 4.740 -0.000 0.000 0.269 237 N C 0.245 175.692 175.510 -0.105 0.000 1.237 237 N CA -0.760 52.244 53.050 -0.077 0.000 0.838 237 N CB 1.413 39.853 38.487 -0.079 0.000 1.593 237 N HN -0.115 nan 8.380 nan 0.000 0.485 238 L N 0.947 122.069 121.223 -0.168 0.000 1.989 238 L HA -0.197 4.143 4.340 -0.000 0.000 0.211 238 L C 2.187 178.844 176.870 -0.355 0.000 1.071 238 L CA 2.003 56.640 54.840 -0.338 0.000 0.749 238 L CB -0.346 41.444 42.059 -0.448 0.000 0.890 238 L HN 0.692 nan 8.230 nan 0.000 0.431 239 E N -0.652 119.420 120.200 -0.213 0.000 2.086 239 E HA -0.322 4.028 4.350 -0.000 0.000 0.200 239 E C 2.242 178.836 176.600 -0.010 0.000 1.012 239 E CA 1.589 57.939 56.400 -0.083 0.000 0.812 239 E CB -0.198 29.475 29.700 -0.046 0.000 0.743 239 E HN 0.350 nan 8.360 nan 0.000 0.453 240 R N 0.913 121.392 120.500 -0.035 0.000 2.075 240 R HA -0.191 4.149 4.340 -0.000 0.000 0.232 240 R C 2.460 178.773 176.300 0.021 0.000 1.126 240 R CA 1.615 57.709 56.100 -0.010 0.000 0.963 240 R CB -0.076 30.201 30.300 -0.039 0.000 0.858 240 R HN 0.215 nan 8.270 nan 0.000 0.435 241 Q N -0.221 119.584 119.800 0.008 0.000 2.002 241 Q HA -0.237 4.103 4.340 -0.000 0.000 0.204 241 Q C 1.811 177.874 176.000 0.105 0.000 0.988 241 Q CA 1.919 57.755 55.803 0.054 0.000 0.843 241 Q CB -0.380 28.375 28.738 0.028 0.000 0.908 241 Q HN 0.567 nan 8.270 nan 0.000 0.420 242 Y N -0.106 120.184 120.300 -0.017 0.000 2.193 242 Y HA -0.296 4.254 4.550 -0.000 0.000 0.285 242 Y C 2.584 178.561 175.900 0.128 0.000 1.166 242 Y CA 0.845 59.011 58.100 0.109 0.000 1.181 242 Y CB 0.100 38.711 38.460 0.251 0.000 0.976 242 Y HN 0.348 nan 8.280 nan 0.000 0.520 243 Q N -0.033 119.904 119.800 0.228 0.000 2.230 243 Q HA -0.112 4.228 4.340 -0.000 0.000 0.202 243 Q C 1.754 177.798 176.000 0.073 0.000 0.963 243 Q CA 0.912 56.800 55.803 0.141 0.000 0.866 243 Q CB -0.112 28.680 28.738 0.090 0.000 0.931 243 Q HN 0.306 nan 8.270 nan 0.000 0.452 244 L N -0.401 120.845 121.223 0.038 0.000 2.341 244 L HA 0.137 4.477 4.340 -0.000 0.000 0.214 244 L C 0.375 177.217 176.870 -0.046 0.000 1.115 244 L CA 0.936 55.782 54.840 0.009 0.000 0.820 244 L CB -0.114 41.958 42.059 0.022 0.000 0.944 244 L HN 0.001 nan 8.230 nan 0.000 0.452 245 R N -1.007 119.379 120.500 -0.191 0.000 2.531 245 R HA 0.153 4.493 4.340 -0.000 0.000 0.273 245 R C 1.113 177.217 176.300 -0.328 0.000 1.070 245 R CA -0.322 55.529 56.100 -0.416 0.000 1.112 245 R CB 0.986 30.649 30.300 -1.062 0.000 1.049 245 R HN 0.054 nan 8.270 nan 0.000 0.508 246 L N 1.689 122.791 121.223 -0.202 0.000 2.209 246 L HA 0.064 4.404 4.340 -0.000 0.000 0.207 246 L C -0.020 176.886 176.870 0.059 0.000 1.094 246 L CA 0.840 55.667 54.840 -0.022 0.000 0.790 246 L CB 0.161 42.261 42.059 0.068 0.000 0.932 246 L HN 0.775 nan 8.230 nan 0.000 0.447 247 F N 0.301 120.237 119.950 -0.023 0.000 3.058 247 F HA -0.278 4.248 4.527 -0.000 0.000 0.295 247 F C 0.408 176.206 175.800 -0.004 0.000 0.875 247 F CA 0.704 58.666 58.000 -0.062 0.000 1.150 247 F CB -1.109 37.816 39.000 -0.125 0.000 1.175 247 F HN 0.159 nan 8.300 nan 0.000 0.599 248 K N 0.478 120.965 120.400 0.146 0.000 2.588 248 K HA 0.381 4.701 4.320 -0.000 0.000 0.250 248 K C -0.153 176.535 176.600 0.147 0.000 0.972 248 K CA -0.364 56.005 56.287 0.138 0.000 0.821 248 K CB 1.242 33.813 32.500 0.120 0.000 1.249 248 K HN -0.018 nan 8.250 nan 0.000 0.442 249 D N 3.064 123.553 120.400 0.148 0.000 3.059 249 D HA -0.189 4.451 4.640 -0.000 0.000 0.220 249 D C 0.693 177.108 176.300 0.192 0.000 1.169 249 D CA 2.035 56.128 54.000 0.156 0.000 0.902 249 D CB -1.296 39.586 40.800 0.135 0.000 1.116 249 D HN 1.140 nan 8.370 nan 0.000 0.417 250 G N -0.527 108.405 108.800 0.219 0.000 2.166 250 G HA2 -0.409 3.551 3.960 -0.000 0.000 0.260 250 G HA3 -0.409 3.551 3.960 -0.000 0.000 0.260 250 G C 0.407 175.581 174.900 0.456 0.000 0.986 250 G CA 1.104 46.396 45.100 0.321 0.000 0.683 250 G HN 0.526 nan 8.290 nan 0.000 0.527 251 K N -1.021 119.580 120.400 0.336 0.000 2.098 251 K HA 0.663 4.983 4.320 -0.000 0.000 0.244 251 K C 0.069 176.866 176.600 0.327 0.000 1.014 251 K CA -0.925 55.605 56.287 0.406 0.000 0.917 251 K CB 0.786 33.468 32.500 0.303 0.000 1.072 251 K HN 0.022 nan 8.250 nan 0.000 0.477 252 L N 1.687 123.109 121.223 0.331 0.000 2.343 252 L HA 0.260 4.599 4.340 -0.000 0.000 0.275 252 L C 0.134 177.145 176.870 0.236 0.000 1.056 252 L CA -0.100 54.851 54.840 0.185 0.000 0.804 252 L CB 1.166 43.296 42.059 0.119 0.000 1.203 252 L HN 0.429 nan 8.230 nan 0.000 0.440 253 K N 2.142 122.619 120.400 0.128 0.000 2.336 253 K HA 0.339 4.659 4.320 -0.000 0.000 0.262 253 K C -1.192 175.525 176.600 0.195 0.000 0.992 253 K CA 0.310 56.647 56.287 0.085 0.000 0.927 253 K CB 0.533 33.041 32.500 0.013 0.000 0.956 253 K HN 0.583 nan 8.250 nan 0.000 0.495 254 Y N -2.494 117.838 120.300 0.053 0.000 2.788 254 Y HA 0.266 4.816 4.550 -0.000 0.000 0.335 254 Y C -1.662 174.275 175.900 0.062 0.000 1.287 254 Y CA -1.366 56.770 58.100 0.060 0.000 1.068 254 Y CB 0.948 39.440 38.460 0.053 0.000 1.340 254 Y HN 0.632 nan 8.280 nan 0.000 0.449 255 Q N 1.316 121.266 119.800 0.250 0.000 2.501 255 Q HA 0.709 5.049 4.340 -0.000 0.000 0.288 255 Q C -1.747 174.427 176.000 0.290 0.000 1.051 255 Q CA -1.297 54.595 55.803 0.148 0.000 0.788 255 Q CB 2.847 31.645 28.738 0.100 0.000 1.469 255 Q HN 0.630 nan 8.270 nan 0.000 0.416 256 M N 2.265 121.989 119.600 0.207 0.000 2.268 256 M HA 0.550 5.030 4.480 -0.000 0.000 0.344 256 M C -1.212 175.200 176.300 0.187 0.000 1.106 256 M CA -0.445 54.983 55.300 0.212 0.000 1.010 256 M CB 1.047 33.743 32.600 0.159 0.000 1.649 256 M HN 0.683 nan 8.290 nan 0.000 0.443 257 L N 3.952 125.328 121.223 0.255 0.000 2.476 257 L HA 0.396 4.736 4.340 -0.000 0.000 0.269 257 L C -0.119 176.862 176.870 0.185 0.000 0.965 257 L CA -0.637 54.305 54.840 0.171 0.000 0.845 257 L CB 1.845 43.949 42.059 0.074 0.000 1.259 257 L HN 0.755 nan 8.230 nan 0.000 0.403 258 N N 2.364 121.120 118.700 0.093 0.000 2.725 258 N HA -0.206 4.534 4.740 -0.000 0.000 0.249 258 N C 0.951 176.510 175.510 0.082 0.000 1.103 258 N CA 1.298 54.392 53.050 0.073 0.000 0.707 258 N CB -0.955 37.572 38.487 0.067 0.000 1.043 258 N HN 1.161 nan 8.380 nan 0.000 0.553 259 G N -1.499 107.350 108.800 0.081 0.000 2.155 259 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.257 259 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.257 259 G C -0.172 174.756 174.900 0.046 0.000 0.983 259 G CA 0.874 46.008 45.100 0.058 0.000 0.676 259 G HN 0.491 nan 8.290 nan 0.000 0.528 260 E N -0.728 119.523 120.200 0.085 0.000 2.263 260 E HA 0.605 4.955 4.350 -0.000 0.000 0.264 260 E C 0.078 176.601 176.600 -0.128 0.000 0.923 260 E CA -0.817 55.558 56.400 -0.043 0.000 0.802 260 E CB 2.213 31.888 29.700 -0.042 0.000 1.228 260 E HN 0.122 nan 8.360 nan 0.000 0.417 261 V N 2.722 122.429 119.914 -0.346 0.000 2.465 261 V HA 0.295 4.415 4.120 -0.000 0.000 0.279 261 V C -0.767 174.983 176.094 -0.573 0.000 1.045 261 V CA -0.126 62.005 62.300 -0.282 0.000 0.938 261 V CB -0.118 31.528 31.823 -0.294 0.000 0.986 261 V HN 0.509 nan 8.190 nan 0.000 0.467 262 Y N 3.883 124.239 120.300 0.093 0.000 2.609 262 Y HA 0.491 5.041 4.550 -0.000 0.000 0.342 262 Y C -2.453 173.518 175.900 0.118 0.000 1.058 262 Y CA -2.714 55.431 58.100 0.074 0.000 1.055 262 Y CB 2.059 40.549 38.460 0.050 0.000 1.292 262 Y HN 0.415 nan 8.280 nan 0.000 0.476 263 P HA 0.023 nan 4.420 nan 0.000 0.268 263 P C -2.483 174.922 177.300 0.176 0.000 1.208 263 P CA -0.690 62.526 63.100 0.192 0.000 0.777 263 P CB 0.059 31.855 31.700 0.159 0.000 0.875 264 P HA 0.014 nan 4.420 nan 0.000 0.274 264 P C -0.389 176.949 177.300 0.062 0.000 1.260 264 P CA -0.035 63.114 63.100 0.081 0.000 0.793 264 P CB 0.453 32.180 31.700 0.045 0.000 1.048 265 S N -0.912 114.807 115.700 0.032 0.000 2.652 265 S HA 0.141 4.611 4.470 -0.000 0.000 0.270 265 S C 1.338 175.949 174.600 0.018 0.000 1.243 265 S CA -0.693 57.515 58.200 0.014 0.000 0.999 265 S CB 0.323 63.515 63.200 -0.013 0.000 0.973 265 S HN 0.199 nan 8.310 nan 0.000 0.544 266 V N 1.397 121.321 119.914 0.016 0.000 3.026 266 V HA -0.115 4.005 4.120 -0.000 0.000 0.265 266 V C 2.569 178.669 176.094 0.011 0.000 1.121 266 V CA 2.154 64.469 62.300 0.025 0.000 1.142 266 V CB -1.317 30.527 31.823 0.035 0.000 0.730 266 V HN 1.022 nan 8.190 nan 0.000 0.503 267 E N -0.208 119.991 120.200 -0.001 0.000 2.107 267 E HA -0.169 4.181 4.350 -0.000 0.000 0.191 267 E C 2.069 178.669 176.600 -0.001 0.000 0.982 267 E CA 0.842 57.239 56.400 -0.004 0.000 0.809 267 E CB 0.181 29.873 29.700 -0.013 0.000 0.756 267 E HN 0.538 nan 8.360 nan 0.000 0.459 268 E N -0.537 119.663 120.200 0.000 0.000 2.340 268 E HA 0.080 4.430 4.350 -0.000 0.000 0.194 268 E C -0.103 176.503 176.600 0.011 0.000 0.996 268 E CA 0.390 56.789 56.400 -0.001 0.000 0.869 268 E CB 1.124 30.815 29.700 -0.014 0.000 0.835 268 E HN 0.133 nan 8.360 nan 0.000 0.493 269 A N 2.356 125.187 122.820 0.018 0.000 2.842 269 A HA 0.418 4.738 4.320 -0.000 0.000 0.339 269 A C -2.532 175.068 177.584 0.027 0.000 1.177 269 A CA -1.472 50.582 52.037 0.028 0.000 0.797 269 A CB 0.428 19.447 19.000 0.032 0.000 1.094 269 A HN -0.197 nan 8.150 nan 0.000 0.474 270 P HA 0.154 nan 4.420 nan 0.000 0.254 270 P C -0.487 176.824 177.300 0.019 0.000 1.467 270 P CA 0.737 63.850 63.100 0.021 0.000 1.281 270 P CB 0.232 31.943 31.700 0.020 0.000 1.754 271 V N 4.140 124.064 119.914 0.016 0.000 2.789 271 V HA 0.235 4.355 4.120 -0.000 0.000 0.311 271 V C -0.151 175.935 176.094 -0.013 0.000 1.073 271 V CA -1.194 61.105 62.300 -0.001 0.000 0.921 271 V CB 2.808 34.628 31.823 -0.005 0.000 1.009 271 V HN 0.249 nan 8.190 nan 0.000 0.426 272 L N 6.209 127.406 121.223 -0.042 0.000 2.534 272 L HA 0.313 4.653 4.340 -0.000 0.000 0.271 272 L C -0.725 176.054 176.870 -0.152 0.000 1.178 272 L CA 0.918 55.716 54.840 -0.070 0.000 0.907 272 L CB 0.668 42.679 42.059 -0.080 0.000 1.164 272 L HN 0.594 nan 8.230 nan 0.000 0.482 273 M N 5.006 124.546 119.600 -0.100 0.000 2.530 273 M HA 0.310 4.790 4.480 -0.000 0.000 0.307 273 M C -0.683 175.539 176.300 -0.130 0.000 1.161 273 M CA -0.645 54.558 55.300 -0.161 0.000 0.903 273 M CB 1.786 34.432 32.600 0.077 0.000 1.711 273 M HN 0.402 nan 8.290 nan 0.000 0.451 274 H N 2.822 121.815 119.070 -0.129 0.000 2.908 274 H HA 0.376 4.932 4.556 -0.000 0.000 0.269 274 H C -1.217 174.028 175.328 -0.138 0.000 1.303 274 H CA 0.069 56.071 56.048 -0.076 0.000 1.341 274 H CB -0.463 29.269 29.762 -0.051 0.000 1.519 274 H HN 0.372 nan 8.280 nan 0.000 0.505 275 Y N 2.700 123.116 120.300 0.193 0.000 2.509 275 Y HA 0.288 4.838 4.550 -0.000 0.000 0.341 275 Y C -1.733 174.229 175.900 0.103 0.000 1.038 275 Y CA -2.513 55.686 58.100 0.165 0.000 1.089 275 Y CB 1.257 39.778 38.460 0.102 0.000 1.241 275 Y HN 0.427 nan 8.280 nan 0.000 0.468 276 P HA 0.146 nan 4.420 nan 0.000 0.271 276 P C -0.497 176.832 177.300 0.049 0.000 1.216 276 P CA -0.411 62.706 63.100 0.029 0.000 0.776 276 P CB 0.743 32.338 31.700 -0.176 0.000 0.881 277 R N 1.481 121.994 120.500 0.022 0.000 2.537 277 R HA 0.229 4.568 4.340 -0.000 0.000 0.281 277 R C 1.517 177.817 176.300 -0.001 0.000 0.988 277 R CA 1.412 57.523 56.100 0.018 0.000 1.077 277 R CB -0.743 29.560 30.300 0.006 0.000 0.932 277 R HN 0.948 nan 8.270 nan 0.000 0.409 278 G N 2.208 111.008 108.800 -0.000 0.000 2.284 278 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.201 278 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.201 278 G C 0.193 175.081 174.900 -0.020 0.000 0.998 278 G CA -0.532 44.561 45.100 -0.012 0.000 0.651 278 G HN 0.486 nan 8.290 nan 0.000 0.489 279 I N 4.035 124.592 120.570 -0.021 0.000 2.325 279 I HA 0.313 4.483 4.170 -0.000 0.000 0.291 279 I C -1.609 174.459 176.117 -0.081 0.000 1.019 279 I CA -2.024 59.239 61.300 -0.062 0.000 1.302 279 I CB 1.407 39.353 38.000 -0.091 0.000 1.401 279 I HN -0.026 nan 8.210 nan 0.000 0.485 280 P HA 0.181 nan 4.420 nan 0.000 0.271 280 P C -2.379 174.857 177.300 -0.107 0.000 1.216 280 P CA -1.420 61.635 63.100 -0.076 0.000 0.776 280 P CB 0.473 32.136 31.700 -0.062 0.000 0.881 281 P HA -0.208 nan 4.420 nan 0.000 0.217 281 P C 1.395 178.643 177.300 -0.087 0.000 1.151 281 P CA 1.752 64.808 63.100 -0.073 0.000 0.849 281 P CB -0.069 31.611 31.700 -0.034 0.000 0.787 282 Q N -1.347 118.407 119.800 -0.075 0.000 2.291 282 Q HA -0.029 4.311 4.340 -0.000 0.000 0.206 282 Q C 1.758 177.699 176.000 -0.097 0.000 0.976 282 Q CA 1.302 57.064 55.803 -0.069 0.000 0.875 282 Q CB -0.742 27.963 28.738 -0.054 0.000 0.927 282 Q HN 0.190 nan 8.270 nan 0.000 0.450 283 S N -0.263 115.350 115.700 -0.144 0.000 2.540 283 S HA 0.121 4.591 4.470 -0.000 0.000 0.218 283 S C -0.028 174.385 174.600 -0.312 0.000 0.977 283 S CA -0.129 57.959 58.200 -0.186 0.000 0.918 283 S CB 0.293 63.387 63.200 -0.177 0.000 0.806 283 S HN 0.324 nan 8.310 nan 0.000 0.496 284 Q N 1.067 120.663 119.800 -0.341 0.000 2.257 284 Q HA 0.464 4.804 4.340 -0.000 0.000 0.255 284 Q C -0.719 175.232 176.000 -0.082 0.000 0.920 284 Q CA 0.100 55.607 55.803 -0.494 0.000 0.927 284 Q CB 1.316 29.810 28.738 -0.407 0.000 1.229 284 Q HN 0.307 nan 8.270 nan 0.000 0.433 285 M N 1.472 121.139 119.600 0.111 0.000 2.318 285 M HA 0.491 4.971 4.480 -0.000 0.000 0.347 285 M C -0.534 175.880 176.300 0.191 0.000 1.175 285 M CA -0.619 54.768 55.300 0.145 0.000 1.075 285 M CB 1.601 34.291 32.600 0.151 0.000 1.614 285 M HN 0.639 nan 8.290 nan 0.000 0.456 286 A N 2.762 125.653 122.820 0.119 0.000 2.249 286 A HA 0.551 4.871 4.320 -0.000 0.000 0.314 286 A C 0.477 178.103 177.584 0.069 0.000 1.290 286 A CA -0.665 51.422 52.037 0.084 0.000 0.893 286 A CB 0.124 19.158 19.000 0.056 0.000 1.165 286 A HN 0.851 nan 8.150 nan 0.000 0.530 287 V N 0.003 119.944 119.914 0.045 0.000 3.473 287 V HA 0.636 4.756 4.120 -0.000 0.000 0.253 287 V C 1.081 177.151 176.094 -0.040 0.000 1.340 287 V CA 0.987 63.311 62.300 0.040 0.000 1.103 287 V CB -0.250 31.657 31.823 0.141 0.000 0.881 287 V HN 1.808 nan 8.190 nan 0.000 0.451 288 G N -0.424 108.313 108.800 -0.105 0.000 3.465 288 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.196 288 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.196 288 G C 0.124 174.866 174.900 -0.264 0.000 1.170 288 G CA 0.195 45.205 45.100 -0.151 0.000 0.887 288 G HN 0.427 nan 8.290 nan 0.000 0.444 289 Q N 1.372 120.896 119.800 -0.461 0.000 2.400 289 Q HA 0.470 4.810 4.340 -0.000 0.000 0.255 289 Q C 1.058 176.694 176.000 -0.606 0.000 1.008 289 Q CA -0.199 55.152 55.803 -0.754 0.000 0.841 289 Q CB 1.578 29.273 28.738 -1.738 0.000 1.220 289 Q HN 0.531 nan 8.270 nan 0.000 0.474 290 E N 1.661 121.605 120.200 -0.427 0.000 2.208 290 E HA -0.196 4.154 4.350 -0.000 0.000 0.202 290 E C 1.363 177.754 176.600 -0.348 0.000 1.014 290 E CA 1.266 57.404 56.400 -0.436 0.000 0.819 290 E CB -0.020 29.279 29.700 -0.667 0.000 0.735 290 E HN 0.326 nan 8.360 nan 0.000 0.469 291 V N 0.084 119.873 119.914 -0.208 0.000 3.623 291 V HA -0.037 4.083 4.120 -0.000 0.000 0.271 291 V C 0.678 176.825 176.094 0.088 0.000 1.248 291 V CA 0.395 62.696 62.300 0.000 0.000 1.156 291 V CB -0.396 31.505 31.823 0.130 0.000 0.870 291 V HN 0.168 nan 8.190 nan 0.000 0.453 292 F N 1.206 121.074 119.950 -0.138 0.000 2.451 292 F HA 0.141 4.668 4.527 -0.000 0.000 0.299 292 F C 2.300 177.986 175.800 -0.191 0.000 1.101 292 F CA 0.681 58.600 58.000 -0.135 0.000 1.436 292 F CB -1.361 37.605 39.000 -0.057 0.000 1.074 292 F HN 0.331 nan 8.300 nan 0.000 0.553 293 G N -0.349 108.374 108.800 -0.127 0.000 2.848 293 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.208 293 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.208 293 G C 1.349 176.120 174.900 -0.215 0.000 1.152 293 G CA 0.004 44.968 45.100 -0.227 0.000 0.789 293 G HN 0.343 nan 8.290 nan 0.000 0.531 294 L N -0.310 120.754 121.223 -0.265 0.000 2.653 294 L HA 0.477 4.817 4.340 -0.000 0.000 0.231 294 L C -0.037 176.504 176.870 -0.549 0.000 1.153 294 L CA 0.202 54.764 54.840 -0.465 0.000 0.933 294 L CB 0.026 41.821 42.059 -0.440 0.000 1.175 294 L HN 0.057 nan 8.230 nan 0.000 0.473 295 L N -1.068 119.879 121.223 -0.460 0.000 2.641 295 L HA 0.231 4.571 4.340 -0.000 0.000 0.261 295 L C -2.087 174.384 176.870 -0.665 0.000 0.926 295 L CA -1.175 53.269 54.840 -0.660 0.000 0.917 295 L CB 2.649 44.399 42.059 -0.515 0.000 1.361 295 L HN -0.292 nan 8.230 nan 0.000 0.417 296 P HA -0.145 nan 4.420 nan 0.000 0.216 296 P C 1.465 178.489 177.300 -0.459 0.000 1.153 296 P CA 1.619 64.398 63.100 -0.536 0.000 0.858 296 P CB 0.335 31.737 31.700 -0.496 0.000 0.789 297 G N -0.361 107.929 108.800 -0.851 0.000 2.469 297 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.219 297 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.219 297 G C 1.339 175.866 174.900 -0.620 0.000 1.150 297 G CA 0.742 45.058 45.100 -1.307 0.000 0.763 297 G HN 0.139 nan 8.290 nan 0.000 0.561 298 L N -0.424 120.466 121.223 -0.555 0.000 2.023 298 L HA 0.168 4.508 4.340 -0.000 0.000 0.205 298 L C 2.738 179.396 176.870 -0.353 0.000 1.073 298 L CA 1.520 56.068 54.840 -0.486 0.000 0.745 298 L CB -0.963 40.729 42.059 -0.612 0.000 0.900 298 L HN 0.224 nan 8.230 nan 0.000 0.435 299 M N -1.208 118.251 119.600 -0.235 0.000 2.279 299 M HA -0.166 4.314 4.480 -0.000 0.000 0.264 299 M C 2.022 178.285 176.300 -0.062 0.000 1.062 299 M CA 1.355 56.608 55.300 -0.077 0.000 1.099 299 M CB -0.453 32.123 32.600 -0.040 0.000 1.394 299 M HN 0.184 nan 8.290 nan 0.000 0.426 300 L N -1.174 119.974 121.223 -0.125 0.000 1.970 300 L HA -0.276 4.064 4.340 -0.000 0.000 0.212 300 L C 2.023 178.779 176.870 -0.190 0.000 1.071 300 L CA 1.975 56.738 54.840 -0.128 0.000 0.751 300 L CB -0.680 41.297 42.059 -0.137 0.000 0.889 300 L HN 0.261 nan 8.230 nan 0.000 0.432 301 Y N 0.037 120.203 120.300 -0.224 0.000 2.274 301 Y HA -0.204 4.346 4.550 -0.000 0.000 0.290 301 Y C 2.629 178.392 175.900 -0.228 0.000 1.145 301 Y CA 1.315 59.215 58.100 -0.332 0.000 1.203 301 Y CB -0.696 37.318 38.460 -0.743 0.000 0.984 301 Y HN 0.312 nan 8.280 nan 0.000 0.533 302 A N -0.798 122.004 122.820 -0.030 0.000 1.933 302 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 302 A C 2.298 179.952 177.584 0.116 0.000 1.175 302 A CA 2.271 54.398 52.037 0.149 0.000 0.628 302 A CB -1.120 18.005 19.000 0.209 0.000 0.814 302 A HN 0.403 nan 8.150 nan 0.000 0.444 303 T N 0.231 114.817 114.554 0.054 0.000 2.737 303 T HA -0.048 4.302 4.350 -0.000 0.000 0.265 303 T C 1.820 176.497 174.700 -0.039 0.000 1.038 303 T CA 1.385 63.499 62.100 0.024 0.000 1.144 303 T CB -0.386 68.500 68.868 0.029 0.000 0.866 303 T HN 0.413 nan 8.240 nan 0.000 0.434 304 I N -0.518 119.996 120.570 -0.094 0.000 2.099 304 I HA -0.220 3.950 4.170 -0.000 0.000 0.239 304 I C 2.279 178.309 176.117 -0.145 0.000 1.066 304 I CA 1.637 62.825 61.300 -0.186 0.000 1.324 304 I CB -0.369 37.444 38.000 -0.311 0.000 1.037 304 I HN 0.339 nan 8.210 nan 0.000 0.401 305 W N 0.623 121.920 121.300 -0.005 0.000 2.363 305 W HA -0.174 4.486 4.660 -0.000 0.000 0.296 305 W C 2.489 179.015 176.519 0.011 0.000 1.212 305 W CA 0.785 58.142 57.345 0.019 0.000 1.260 305 W CB -0.298 29.162 29.460 -0.001 0.000 1.131 305 W HN 0.161 nan 8.180 nan 0.000 0.530 306 L N 0.519 121.854 121.223 0.188 0.000 2.027 306 L HA -0.171 4.169 4.340 -0.000 0.000 0.206 306 L C 2.571 179.507 176.870 0.108 0.000 1.074 306 L CA 1.650 56.565 54.840 0.125 0.000 0.745 306 L CB -0.374 41.732 42.059 0.079 0.000 0.898 306 L HN -0.125 nan 8.230 nan 0.000 0.433 307 R N -0.154 120.355 120.500 0.015 0.000 2.091 307 R HA -0.253 4.087 4.340 -0.000 0.000 0.238 307 R C 2.221 178.518 176.300 -0.004 0.000 1.136 307 R CA 1.846 57.913 56.100 -0.054 0.000 0.959 307 R CB -0.280 29.944 30.300 -0.127 0.000 0.856 307 R HN 0.418 nan 8.270 nan 0.000 0.437 308 E N -0.493 119.723 120.200 0.027 0.000 2.110 308 E HA -0.235 4.115 4.350 -0.000 0.000 0.193 308 E C 1.700 178.391 176.600 0.150 0.000 0.988 308 E CA 1.784 58.216 56.400 0.054 0.000 0.804 308 E CB -0.157 29.557 29.700 0.023 0.000 0.745 308 E HN 0.505 nan 8.360 nan 0.000 0.458 309 H N -0.182 118.981 119.070 0.153 0.000 2.293 309 H HA -0.043 4.513 4.556 -0.000 0.000 0.300 309 H C 1.677 177.086 175.328 0.134 0.000 1.082 309 H CA 2.225 58.386 56.048 0.188 0.000 1.308 309 H CB -0.163 29.740 29.762 0.234 0.000 1.375 309 H HN 0.132 nan 8.280 nan 0.000 0.495 310 N N 0.265 119.085 118.700 0.200 0.000 2.223 310 N HA -0.150 4.590 4.740 -0.000 0.000 0.185 310 N C 2.015 177.525 175.510 0.000 0.000 1.016 310 N CA 1.162 54.273 53.050 0.101 0.000 0.863 310 N CB -0.379 38.140 38.487 0.053 0.000 0.983 310 N HN 0.451 nan 8.380 nan 0.000 0.429 311 R N 0.708 121.203 120.500 -0.008 0.000 2.073 311 R HA -0.037 4.303 4.340 -0.000 0.000 0.234 311 R C 1.657 177.947 176.300 -0.018 0.000 1.134 311 R CA 1.098 57.185 56.100 -0.023 0.000 0.952 311 R CB -0.265 30.020 30.300 -0.026 0.000 0.850 311 R HN -0.023 nan 8.270 nan 0.000 0.433 312 V N 0.511 120.413 119.914 -0.019 0.000 2.407 312 V HA -0.308 3.812 4.120 -0.000 0.000 0.248 312 V C 2.551 178.629 176.094 -0.026 0.000 1.055 312 V CA 1.697 63.990 62.300 -0.012 0.000 1.049 312 V CB -0.470 31.356 31.823 0.005 0.000 0.662 312 V HN 0.551 nan 8.190 nan 0.000 0.455 313 C N -0.035 119.221 119.300 -0.074 0.000 2.413 313 C HA -0.169 4.291 4.460 -0.000 0.000 0.276 313 C C 2.512 177.515 174.990 0.022 0.000 1.248 313 C CA 0.944 59.951 59.018 -0.018 0.000 1.742 313 C CB -1.051 26.687 27.740 -0.003 0.000 2.017 313 C HN 0.602 nan 8.230 nan 0.000 0.481 314 D N 0.848 121.252 120.400 0.007 0.000 2.092 314 D HA -0.099 4.541 4.640 -0.000 0.000 0.193 314 D C 2.091 178.384 176.300 -0.011 0.000 0.994 314 D CA 1.129 55.131 54.000 0.004 0.000 0.828 314 D CB -0.551 40.245 40.800 -0.007 0.000 0.963 314 D HN 0.423 nan 8.370 nan 0.000 0.450 315 L N 0.062 121.277 121.223 -0.014 0.000 2.042 315 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 315 L C 2.384 179.228 176.870 -0.042 0.000 1.076 315 L CA 0.472 55.297 54.840 -0.026 0.000 0.749 315 L CB -0.297 41.756 42.059 -0.010 0.000 0.893 315 L HN 0.086 nan 8.230 nan 0.000 0.432 316 L N 0.073 121.291 121.223 -0.008 0.000 2.017 316 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 316 L C 2.552 179.374 176.870 -0.080 0.000 1.073 316 L CA 1.707 56.544 54.840 -0.006 0.000 0.745 316 L CB -0.889 41.229 42.059 0.098 0.000 0.894 316 L HN 0.201 nan 8.230 nan 0.000 0.432 317 K N -0.753 119.631 120.400 -0.028 0.000 2.103 317 K HA -0.172 4.148 4.320 -0.000 0.000 0.207 317 K C 1.987 178.525 176.600 -0.104 0.000 1.048 317 K CA 1.272 57.538 56.287 -0.036 0.000 0.930 317 K CB -0.042 32.471 32.500 0.022 0.000 0.716 317 K HN 0.300 nan 8.250 nan 0.000 0.444 318 A N 0.660 123.416 122.820 -0.107 0.000 1.972 318 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 318 A C 1.908 179.362 177.584 -0.216 0.000 1.169 318 A CA 1.791 53.753 52.037 -0.124 0.000 0.635 318 A CB -0.358 18.585 19.000 -0.094 0.000 0.810 318 A HN 0.403 nan 8.150 nan 0.000 0.446 319 E N -0.642 119.356 120.200 -0.337 0.000 2.122 319 E HA -0.018 4.332 4.350 -0.000 0.000 0.190 319 E C -0.224 175.812 176.600 -0.940 0.000 0.977 319 E CA 0.780 56.806 56.400 -0.622 0.000 0.820 319 E CB 0.023 29.277 29.700 -0.742 0.000 0.770 319 E HN 0.776 nan 8.360 nan 0.000 0.462 320 H N -0.633 118.134 119.070 -0.506 0.000 2.423 320 H HA 0.198 4.754 4.556 -0.000 0.000 0.237 320 H C -1.965 173.148 175.328 -0.358 0.000 1.391 320 H CA -1.702 53.947 56.048 -0.665 0.000 1.453 320 H CB 1.201 29.888 29.762 -1.791 0.000 1.484 320 H HN 0.089 nan 8.280 nan 0.000 0.505 321 P HA -0.179 nan 4.420 nan 0.000 0.222 321 P C 1.346 178.683 177.300 0.060 0.000 1.147 321 P CA 1.266 64.355 63.100 -0.019 0.000 0.790 321 P CB 0.299 31.981 31.700 -0.029 0.000 0.780 322 T N -6.726 107.885 114.554 0.096 0.000 3.067 322 T HA -0.024 4.326 4.350 -0.000 0.000 0.261 322 T C 0.557 175.443 174.700 0.310 0.000 1.110 322 T CA -0.324 61.882 62.100 0.176 0.000 1.113 322 T CB -0.655 68.321 68.868 0.180 0.000 0.917 322 T HN -0.126 nan 8.240 nan 0.000 0.499 323 W N 2.435 123.778 121.300 0.072 0.000 2.158 323 W HA 0.628 5.288 4.660 -0.000 0.000 0.339 323 W C 1.130 177.678 176.519 0.048 0.000 1.294 323 W CA -0.825 56.548 57.345 0.047 0.000 1.231 323 W CB -0.041 29.445 29.460 0.044 0.000 1.143 323 W HN 0.272 nan 8.180 nan 0.000 0.571 324 G N 0.967 109.904 108.800 0.228 0.000 2.537 324 G HA2 0.111 4.071 3.960 -0.000 0.000 0.297 324 G HA3 0.111 4.071 3.960 -0.000 0.000 0.297 324 G C 0.310 175.308 174.900 0.164 0.000 1.310 324 G CA -0.132 45.056 45.100 0.148 0.000 1.027 324 G HN 0.453 nan 8.290 nan 0.000 0.505 325 D N -1.026 119.459 120.400 0.143 0.000 2.097 325 D HA -0.143 4.497 4.640 -0.000 0.000 0.195 325 D C 2.090 178.496 176.300 0.177 0.000 0.989 325 D CA 1.468 55.569 54.000 0.168 0.000 0.827 325 D CB 0.122 41.023 40.800 0.168 0.000 0.966 325 D HN 0.304 nan 8.370 nan 0.000 0.456 326 E N 0.210 120.487 120.200 0.129 0.000 2.033 326 E HA -0.273 4.077 4.350 -0.000 0.000 0.199 326 E C 2.078 178.738 176.600 0.099 0.000 1.011 326 E CA 1.176 57.652 56.400 0.127 0.000 0.815 326 E CB -0.561 29.177 29.700 0.064 0.000 0.755 326 E HN 0.537 nan 8.360 nan 0.000 0.451 327 Q N 0.283 120.052 119.800 -0.051 0.000 2.096 327 Q HA -0.147 4.193 4.340 -0.000 0.000 0.204 327 Q C 2.491 178.441 176.000 -0.082 0.000 0.982 327 Q CA 1.198 56.842 55.803 -0.265 0.000 0.850 327 Q CB -0.129 28.187 28.738 -0.704 0.000 0.901 327 Q HN 0.228 nan 8.270 nan 0.000 0.422 328 L N -0.304 121.027 121.223 0.180 0.000 2.017 328 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 328 L C 2.330 179.324 176.870 0.206 0.000 1.073 328 L CA 1.329 56.360 54.840 0.319 0.000 0.745 328 L CB -0.520 41.729 42.059 0.318 0.000 0.894 328 L HN 0.331 nan 8.230 nan 0.000 0.432 329 F N 0.505 120.514 119.950 0.100 0.000 2.075 329 F HA -0.252 4.275 4.527 -0.000 0.000 0.297 329 F C 2.736 178.576 175.800 0.066 0.000 1.113 329 F CA 1.553 59.630 58.000 0.128 0.000 1.218 329 F CB -0.244 38.802 39.000 0.077 0.000 0.984 329 F HN 0.032 nan 8.300 nan 0.000 0.472 330 Q N 0.103 119.884 119.800 -0.032 0.000 2.061 330 Q HA -0.166 4.174 4.340 -0.000 0.000 0.204 330 Q C 2.272 178.147 176.000 -0.209 0.000 0.984 330 Q CA 2.400 58.096 55.803 -0.178 0.000 0.846 330 Q CB -1.394 27.302 28.738 -0.070 0.000 0.902 330 Q HN 0.418 nan 8.270 nan 0.000 0.421 331 T N 1.458 115.939 114.554 -0.121 0.000 2.788 331 T HA -0.079 4.271 4.350 -0.000 0.000 0.268 331 T C 1.867 176.583 174.700 0.026 0.000 1.044 331 T CA 1.356 63.433 62.100 -0.038 0.000 1.139 331 T CB -0.236 68.697 68.868 0.108 0.000 0.867 331 T HN 0.421 nan 8.240 nan 0.000 0.454 332 A N 1.682 124.482 122.820 -0.033 0.000 1.930 332 A HA -0.070 4.250 4.320 -0.000 0.000 0.217 332 A C 2.289 179.883 177.584 0.017 0.000 1.175 332 A CA 1.692 53.695 52.037 -0.056 0.000 0.627 332 A CB -0.571 18.223 19.000 -0.344 0.000 0.815 332 A HN 0.434 nan 8.150 nan 0.000 0.443 333 R N -0.225 120.182 120.500 -0.154 0.000 2.081 333 R HA -0.084 4.256 4.340 -0.000 0.000 0.235 333 R C 1.913 178.240 176.300 0.046 0.000 1.131 333 R CA 1.604 57.597 56.100 -0.180 0.000 0.960 333 R CB -0.435 29.413 30.300 -0.752 0.000 0.856 333 R HN 0.512 nan 8.270 nan 0.000 0.436 334 L N 0.349 121.599 121.223 0.045 0.000 2.046 334 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 334 L C 2.473 179.627 176.870 0.473 0.000 1.077 334 L CA 1.291 56.251 54.840 0.200 0.000 0.747 334 L CB -0.381 41.682 42.059 0.006 0.000 0.896 334 L HN 0.267 nan 8.230 nan 0.000 0.432 335 I N -0.600 120.239 120.570 0.449 0.000 2.208 335 I HA -0.314 3.856 4.170 -0.000 0.000 0.245 335 I C 2.349 178.676 176.117 0.352 0.000 1.097 335 I CA 1.191 62.742 61.300 0.419 0.000 1.363 335 I CB -0.163 38.017 38.000 0.300 0.000 1.051 335 I HN 0.192 nan 8.210 nan 0.000 0.413 336 L N 0.183 121.615 121.223 0.349 0.000 2.141 336 L HA -0.158 4.182 4.340 -0.000 0.000 0.209 336 L C 2.276 179.333 176.870 0.313 0.000 1.094 336 L CA 1.683 56.764 54.840 0.402 0.000 0.763 336 L CB -0.471 41.855 42.059 0.445 0.000 0.908 336 L HN 0.163 nan 8.230 nan 0.000 0.437 337 I N -1.088 119.659 120.570 0.296 0.000 2.226 337 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 337 I C 2.482 178.781 176.117 0.303 0.000 1.100 337 I CA 1.397 62.855 61.300 0.263 0.000 1.374 337 I CB -0.887 37.281 38.000 0.280 0.000 1.057 337 I HN 0.340 nan 8.210 nan 0.000 0.413 338 G N 0.230 109.271 108.800 0.402 0.000 2.421 338 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.216 338 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.216 338 G C 1.515 176.613 174.900 0.331 0.000 1.171 338 G CA 0.577 45.937 45.100 0.434 0.000 0.775 338 G HN 0.392 nan 8.290 nan 0.000 0.543 339 E N -0.187 120.216 120.200 0.339 0.000 2.085 339 E HA -0.118 4.232 4.350 -0.000 0.000 0.194 339 E C 2.782 179.620 176.600 0.396 0.000 0.994 339 E CA 1.489 58.108 56.400 0.365 0.000 0.801 339 E CB -0.188 29.779 29.700 0.444 0.000 0.743 339 E HN 0.354 nan 8.360 nan 0.000 0.453 340 T N 1.226 116.012 114.554 0.387 0.000 2.708 340 T HA -0.125 4.225 4.350 -0.000 0.000 0.266 340 T C 1.973 176.758 174.700 0.142 0.000 1.037 340 T CA 0.933 63.227 62.100 0.324 0.000 1.146 340 T CB -0.160 68.778 68.868 0.117 0.000 0.865 340 T HN 0.117 nan 8.240 nan 0.000 0.435 341 I N 0.812 121.385 120.570 0.006 0.000 2.252 341 I HA -0.159 4.011 4.170 -0.000 0.000 0.245 341 I C 2.561 178.389 176.117 -0.482 0.000 1.102 341 I CA 1.118 62.246 61.300 -0.288 0.000 1.385 341 I CB -0.305 37.381 38.000 -0.523 0.000 1.064 341 I HN 0.140 nan 8.210 nan 0.000 0.414 342 K N 1.967 122.150 120.400 -0.361 0.000 2.009 342 K HA -0.174 4.146 4.320 -0.000 0.000 0.210 342 K C 1.858 178.501 176.600 0.072 0.000 1.049 342 K CA 1.923 58.204 56.287 -0.010 0.000 0.929 342 K CB -0.509 32.172 32.500 0.302 0.000 0.714 342 K HN 0.253 nan 8.250 nan 0.000 0.440 343 I N 0.052 120.694 120.570 0.121 0.000 2.226 343 I HA -0.242 3.928 4.170 -0.000 0.000 0.245 343 I C 2.115 178.283 176.117 0.085 0.000 1.100 343 I CA 0.902 62.287 61.300 0.141 0.000 1.374 343 I CB -0.213 37.925 38.000 0.230 0.000 1.057 343 I HN -0.019 nan 8.210 nan 0.000 0.413 344 V N 1.109 121.011 119.914 -0.020 0.000 2.343 344 V HA -0.282 3.838 4.120 -0.000 0.000 0.247 344 V C 2.258 178.391 176.094 0.065 0.000 1.051 344 V CA 1.909 64.125 62.300 -0.141 0.000 1.036 344 V CB -0.347 31.238 31.823 -0.398 0.000 0.654 344 V HN 0.340 nan 8.190 nan 0.000 0.451 345 I N -0.558 120.035 120.570 0.038 0.000 2.277 345 I HA -0.149 4.021 4.170 -0.000 0.000 0.243 345 I C 2.415 178.608 176.117 0.127 0.000 1.094 345 I CA 1.414 62.772 61.300 0.097 0.000 1.393 345 I CB -0.266 37.784 38.000 0.084 0.000 1.078 345 I HN 0.328 nan 8.210 nan 0.000 0.417 346 E N 0.121 120.400 120.200 0.133 0.000 2.371 346 E HA -0.099 4.251 4.350 -0.000 0.000 0.194 346 E C 1.458 178.140 176.600 0.136 0.000 1.012 346 E CA 0.663 57.141 56.400 0.130 0.000 0.860 346 E CB 0.323 30.103 29.700 0.134 0.000 0.811 346 E HN 0.534 nan 8.360 nan 0.000 0.502 347 E N -1.038 119.277 120.200 0.192 0.000 2.564 347 E HA -0.010 4.340 4.350 -0.000 0.000 0.203 347 E C 1.329 178.192 176.600 0.438 0.000 0.867 347 E CA -0.143 56.426 56.400 0.281 0.000 1.250 347 E CB -0.026 29.816 29.700 0.236 0.000 1.215 347 E HN 0.077 nan 8.360 nan 0.000 0.566 348 Y N 2.090 122.500 120.300 0.183 0.000 2.070 348 Y HA -0.227 4.323 4.550 -0.000 0.000 0.279 348 Y C 2.158 178.119 175.900 0.101 0.000 1.134 348 Y CA 1.631 59.667 58.100 -0.107 0.000 1.113 348 Y CB -0.280 37.936 38.460 -0.407 0.000 0.981 348 Y HN -0.202 nan 8.280 nan 0.000 0.487 349 V N 0.554 120.611 119.914 0.239 0.000 2.515 349 V HA -0.282 3.838 4.120 -0.000 0.000 0.250 349 V C 2.262 178.338 176.094 -0.031 0.000 1.058 349 V CA 1.990 64.356 62.300 0.110 0.000 1.064 349 V CB -0.808 31.112 31.823 0.163 0.000 0.675 349 V HN 0.403 nan 8.190 nan 0.000 0.461 350 Q N 0.473 120.286 119.800 0.021 0.000 2.030 350 Q HA -0.274 4.066 4.340 -0.000 0.000 0.204 350 Q C 2.248 178.208 176.000 -0.066 0.000 0.986 350 Q CA 2.426 58.217 55.803 -0.021 0.000 0.843 350 Q CB -0.433 28.337 28.738 0.054 0.000 0.904 350 Q HN 0.656 nan 8.270 nan 0.000 0.420 351 Q N -0.254 119.530 119.800 -0.025 0.000 2.020 351 Q HA -0.139 4.201 4.340 -0.000 0.000 0.202 351 Q C 1.926 177.736 176.000 -0.317 0.000 0.982 351 Q CA 1.668 57.404 55.803 -0.112 0.000 0.838 351 Q CB -0.756 27.944 28.738 -0.063 0.000 0.899 351 Q HN 0.519 nan 8.270 nan 0.000 0.423 352 L N 0.322 121.320 121.223 -0.375 0.000 2.012 352 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 352 L C 2.287 178.942 176.870 -0.359 0.000 1.073 352 L CA 2.507 57.075 54.840 -0.453 0.000 0.748 352 L CB -1.125 40.793 42.059 -0.236 0.000 0.891 352 L HN 0.577 nan 8.230 nan 0.000 0.431 353 S N -0.912 114.597 115.700 -0.318 0.000 2.387 353 S HA -0.046 4.424 4.470 -0.000 0.000 0.226 353 S C 1.666 176.077 174.600 -0.315 0.000 1.026 353 S CA 1.070 58.984 58.200 -0.476 0.000 0.972 353 S CB -0.326 62.225 63.200 -1.081 0.000 0.814 353 S HN 0.702 nan 8.310 nan 0.000 0.477 354 G N -0.000 108.657 108.800 -0.239 0.000 2.162 354 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.260 354 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.260 354 G C 0.079 174.897 174.900 -0.137 0.000 0.976 354 G CA 0.351 45.360 45.100 -0.152 0.000 0.655 354 G HN 0.680 nan 8.290 nan 0.000 0.533 355 Y N -0.729 119.371 120.300 -0.333 0.000 2.497 355 Y HA 0.295 4.845 4.550 -0.000 0.000 0.334 355 Y C 1.502 177.181 175.900 -0.367 0.000 1.199 355 Y CA -0.895 56.913 58.100 -0.487 0.000 1.425 355 Y CB 0.283 38.504 38.460 -0.399 0.000 1.291 355 Y HN 0.003 nan 8.280 nan 0.000 0.562 356 F N 1.297 120.903 119.950 -0.573 0.000 2.743 356 F HA 0.020 4.547 4.527 -0.000 0.000 0.297 356 F C 0.646 176.105 175.800 -0.567 0.000 1.131 356 F CA -0.298 57.371 58.000 -0.552 0.000 1.426 356 F CB -0.463 38.148 39.000 -0.650 0.000 1.116 356 F HN 0.269 nan 8.300 nan 0.000 0.583 357 L N 1.427 122.253 121.223 -0.662 0.000 2.410 357 L HA 0.191 4.531 4.340 -0.000 0.000 0.273 357 L C 0.311 177.133 176.870 -0.079 0.000 1.144 357 L CA -0.338 54.259 54.840 -0.405 0.000 0.863 357 L CB 0.344 42.086 42.059 -0.529 0.000 1.140 357 L HN -0.012 nan 8.230 nan 0.000 0.463 358 Q N 4.650 124.461 119.800 0.018 0.000 2.381 358 Q HA 0.313 4.652 4.340 -0.000 0.000 0.243 358 Q C -0.737 175.290 176.000 0.045 0.000 1.154 358 Q CA 0.263 56.087 55.803 0.035 0.000 0.899 358 Q CB -0.207 28.555 28.738 0.041 0.000 1.396 358 Q HN 0.750 nan 8.270 nan 0.000 0.485 359 L N 2.813 124.066 121.223 0.050 0.000 2.516 359 L HA 0.056 4.396 4.340 -0.000 0.000 0.288 359 L C 0.489 177.406 176.870 0.079 0.000 1.246 359 L CA 0.629 55.510 54.840 0.068 0.000 0.844 359 L CB 0.263 42.363 42.059 0.069 0.000 1.106 359 L HN 0.520 nan 8.230 nan 0.000 0.509 360 K N 2.062 122.516 120.400 0.089 0.000 2.513 360 K HA 0.307 4.627 4.320 -0.000 0.000 0.251 360 K C -1.518 175.169 176.600 0.145 0.000 0.939 360 K CA -0.703 55.641 56.287 0.095 0.000 0.793 360 K CB 1.563 34.088 32.500 0.042 0.000 1.241 360 K HN 0.291 nan 8.250 nan 0.000 0.431 361 F N 4.748 124.699 119.950 0.002 0.000 2.335 361 F HA 0.387 4.914 4.527 -0.000 0.000 0.365 361 F C -1.083 174.677 175.800 -0.067 0.000 1.122 361 F CA -0.806 57.181 58.000 -0.022 0.000 1.151 361 F CB 0.619 39.633 39.000 0.024 0.000 1.282 361 F HN 0.500 nan 8.300 nan 0.000 0.513 362 D N 8.242 128.348 120.400 -0.490 0.000 2.375 362 D HA 0.327 4.967 4.640 -0.000 0.000 0.241 362 D C -2.334 173.548 176.300 -0.697 0.000 1.361 362 D CA -1.962 51.650 54.000 -0.647 0.000 0.995 362 D CB 2.133 42.741 40.800 -0.321 0.000 1.312 362 D HN 0.168 nan 8.370 nan 0.000 0.576 363 P HA -0.127 nan 4.420 nan 0.000 0.217 363 P C 0.805 177.470 177.300 -1.057 0.000 1.148 363 P CA 1.057 63.605 63.100 -0.921 0.000 0.828 363 P CB 0.372 31.227 31.700 -1.407 0.000 0.783 364 E N -0.662 118.826 120.200 -1.186 0.000 2.265 364 E HA -0.124 4.226 4.350 -0.000 0.000 0.196 364 E C 1.766 177.974 176.600 -0.654 0.000 0.996 364 E CA 0.595 56.170 56.400 -1.374 0.000 0.832 364 E CB -0.600 28.712 29.700 -0.647 0.000 0.756 364 E HN 0.315 nan 8.360 nan 0.000 0.491 365 L N 0.370 121.338 121.223 -0.425 0.000 2.349 365 L HA -0.166 4.174 4.340 -0.000 0.000 0.220 365 L C 1.881 178.661 176.870 -0.149 0.000 1.130 365 L CA 0.813 55.524 54.840 -0.215 0.000 0.791 365 L CB -0.113 41.844 42.059 -0.171 0.000 0.918 365 L HN 0.188 nan 8.230 nan 0.000 0.444 366 L N -2.575 118.549 121.223 -0.164 0.000 2.766 366 L HA 0.102 4.442 4.340 -0.000 0.000 0.242 366 L C 1.807 178.831 176.870 0.257 0.000 1.136 366 L CA -0.154 54.669 54.840 -0.029 0.000 0.933 366 L CB -0.071 41.863 42.059 -0.207 0.000 1.241 366 L HN 0.150 nan 8.230 nan 0.000 0.522 367 F N 0.717 120.695 119.950 0.047 0.000 2.333 367 F HA -0.117 4.410 4.527 -0.000 0.000 0.300 367 F C 2.090 177.938 175.800 0.080 0.000 1.083 367 F CA 0.633 58.689 58.000 0.094 0.000 1.395 367 F CB 0.053 39.104 39.000 0.086 0.000 1.056 367 F HN 0.235 nan 8.300 nan 0.000 0.529 368 G N -0.477 108.465 108.800 0.237 0.000 3.126 368 G HA2 0.418 4.378 3.960 -0.000 0.000 0.224 368 G HA3 0.418 4.378 3.960 -0.000 0.000 0.224 368 G C 0.228 175.195 174.900 0.112 0.000 1.142 368 G CA 0.344 45.532 45.100 0.147 0.000 0.759 368 G HN 0.253 nan 8.290 nan 0.000 0.550 369 A N -0.270 122.625 122.820 0.125 0.000 2.288 369 A HA 0.737 5.057 4.320 -0.000 0.000 0.328 369 A C -0.201 177.459 177.584 0.128 0.000 1.123 369 A CA -0.607 51.490 52.037 0.099 0.000 0.861 369 A CB 0.850 19.890 19.000 0.067 0.000 1.272 369 A HN 0.231 nan 8.150 nan 0.000 0.490 370 Q N 0.053 119.918 119.800 0.108 0.000 2.322 370 Q HA 0.520 4.860 4.340 -0.000 0.000 0.256 370 Q C -1.803 174.290 176.000 0.155 0.000 0.960 370 Q CA 0.323 56.186 55.803 0.100 0.000 0.934 370 Q CB 1.079 29.849 28.738 0.053 0.000 1.200 370 Q HN 0.502 nan 8.270 nan 0.000 0.435 371 F N 1.659 121.547 119.950 -0.104 0.000 2.604 371 F HA 0.192 4.719 4.527 -0.000 0.000 0.316 371 F C -1.309 174.286 175.800 -0.342 0.000 1.136 371 F CA -0.814 57.043 58.000 -0.238 0.000 0.989 371 F CB 1.749 40.547 39.000 -0.335 0.000 1.258 371 F HN 0.283 nan 8.300 nan 0.000 0.451 372 Q N 5.377 124.702 119.800 -0.792 0.000 2.294 372 Q HA 0.172 4.512 4.340 -0.000 0.000 0.257 372 Q C -1.122 174.449 176.000 -0.714 0.000 0.955 372 Q CA -0.119 55.361 55.803 -0.539 0.000 0.936 372 Q CB 0.931 29.453 28.738 -0.360 0.000 1.188 372 Q HN 0.690 nan 8.270 nan 0.000 0.420 373 Y N 3.326 123.546 120.300 -0.132 0.000 2.830 373 Y HA 0.116 4.666 4.550 -0.000 0.000 0.371 373 Y C 0.778 176.642 175.900 -0.060 0.000 1.246 373 Y CA -0.295 57.793 58.100 -0.020 0.000 1.890 373 Y CB 0.044 38.546 38.460 0.070 0.000 1.995 373 Y HN 0.340 nan 8.280 nan 0.000 0.430 374 R N 0.210 120.680 120.500 -0.049 0.000 2.739 374 R HA 0.540 4.880 4.340 -0.000 0.000 0.271 374 R C -1.914 174.343 176.300 -0.071 0.000 1.010 374 R CA -0.956 55.124 56.100 -0.033 0.000 0.897 374 R CB 1.932 32.208 30.300 -0.041 0.000 1.236 374 R HN 0.266 nan 8.270 nan 0.000 0.466 375 N N 1.011 119.684 118.700 -0.045 0.000 2.331 375 N HA 0.366 5.106 4.740 -0.000 0.000 0.280 375 N C -1.729 173.752 175.510 -0.048 0.000 1.155 375 N CA -0.676 52.349 53.050 -0.043 0.000 0.822 375 N CB 2.718 41.196 38.487 -0.014 0.000 1.619 375 N HN 0.610 nan 8.380 nan 0.000 0.476 376 R N 3.043 123.521 120.500 -0.037 0.000 2.514 376 R HA 0.434 4.774 4.340 -0.000 0.000 0.296 376 R C -0.684 175.717 176.300 0.168 0.000 1.012 376 R CA -0.552 55.507 56.100 -0.068 0.000 0.897 376 R CB 0.544 30.724 30.300 -0.199 0.000 1.184 376 R HN 0.466 nan 8.270 nan 0.000 0.440 377 I N 3.546 124.412 120.570 0.492 0.000 2.598 377 I HA 0.197 4.367 4.170 -0.000 0.000 0.284 377 I C 0.597 176.946 176.117 0.388 0.000 1.140 377 I CA 0.097 61.648 61.300 0.420 0.000 1.420 377 I CB 0.396 38.657 38.000 0.435 0.000 1.387 377 I HN 0.703 nan 8.210 nan 0.000 0.553 378 A N 7.292 130.228 122.820 0.193 0.000 2.306 378 A HA 0.481 4.800 4.320 -0.000 0.000 0.314 378 A C 1.236 178.736 177.584 -0.140 0.000 1.164 378 A CA -0.716 51.344 52.037 0.038 0.000 0.822 378 A CB 0.876 19.843 19.000 -0.055 0.000 1.130 378 A HN 0.839 nan 8.150 nan 0.000 0.496 379 M N 0.592 120.075 119.600 -0.194 0.000 2.149 379 M HA -0.153 4.327 4.480 -0.000 0.000 0.261 379 M C 0.984 177.075 176.300 -0.348 0.000 1.064 379 M CA 2.353 57.419 55.300 -0.389 0.000 1.102 379 M CB -0.835 31.633 32.600 -0.221 0.000 1.369 379 M HN 0.729 nan 8.290 nan 0.000 0.408 380 E N 0.855 120.866 120.200 -0.316 0.000 2.150 380 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 380 E C 1.723 178.212 176.600 -0.185 0.000 0.985 380 E CA 1.300 57.444 56.400 -0.427 0.000 0.814 380 E CB -0.445 28.949 29.700 -0.511 0.000 0.752 380 E HN 0.538 nan 8.360 nan 0.000 0.466 381 F N 1.851 121.419 119.950 -0.636 0.000 2.186 381 F HA -0.115 4.412 4.527 -0.000 0.000 0.299 381 F C 1.847 177.527 175.800 -0.201 0.000 1.090 381 F CA 1.082 58.761 58.000 -0.534 0.000 1.307 381 F CB -0.358 38.210 39.000 -0.720 0.000 1.019 381 F HN 0.009 nan 8.300 nan 0.000 0.489 382 N N 0.371 118.804 118.700 -0.445 0.000 2.058 382 N HA -0.182 4.558 4.740 -0.000 0.000 0.191 382 N C 1.826 177.053 175.510 -0.471 0.000 1.037 382 N CA 1.459 53.842 53.050 -1.112 0.000 0.848 382 N CB -0.258 37.692 38.487 -0.895 0.000 1.021 382 N HN 0.400 nan 8.380 nan 0.000 0.422 383 Q N 0.971 120.659 119.800 -0.187 0.000 2.014 383 Q HA -0.182 4.158 4.340 -0.000 0.000 0.207 383 Q C 2.317 178.473 176.000 0.260 0.000 0.993 383 Q CA 1.174 56.965 55.803 -0.020 0.000 0.850 383 Q CB -0.743 28.062 28.738 0.111 0.000 0.916 383 Q HN 0.470 nan 8.270 nan 0.000 0.417 384 L N -0.463 120.973 121.223 0.355 0.000 2.129 384 L HA -0.195 4.145 4.340 -0.000 0.000 0.212 384 L C 1.819 178.840 176.870 0.250 0.000 1.087 384 L CA 1.349 56.398 54.840 0.347 0.000 0.757 384 L CB -0.249 42.019 42.059 0.348 0.000 0.896 384 L HN 0.202 nan 8.230 nan 0.000 0.434 385 Y N -0.819 119.414 120.300 -0.112 0.000 2.502 385 Y HA -0.029 4.521 4.550 -0.000 0.000 0.295 385 Y C 0.260 175.880 175.900 -0.467 0.000 1.193 385 Y CA -0.435 57.325 58.100 -0.566 0.000 1.295 385 Y CB 0.002 38.044 38.460 -0.697 0.000 1.059 385 Y HN 0.265 nan 8.280 nan 0.000 0.514 386 H N -0.458 118.685 119.070 0.123 0.000 3.216 386 H HA -0.035 4.521 4.556 -0.000 0.000 0.263 386 H C -0.536 175.170 175.328 0.630 0.000 1.601 386 H CA -0.192 56.042 56.048 0.312 0.000 1.509 386 H CB -0.584 29.309 29.762 0.219 0.000 1.759 386 H HN 0.272 nan 8.280 nan 0.000 0.533 387 W N 1.636 123.063 121.300 0.210 0.000 3.040 387 W HA 0.099 4.759 4.660 -0.000 0.000 0.444 387 W C 0.454 177.009 176.519 0.060 0.000 0.793 387 W CA -0.749 56.707 57.345 0.185 0.000 2.104 387 W CB -1.117 28.480 29.460 0.229 0.000 1.060 387 W HN 0.726 nan 8.180 nan 0.000 0.842 388 H N 0.247 119.556 119.070 0.399 0.000 2.489 388 H HA -0.121 4.435 4.556 -0.000 0.000 0.295 388 H C -0.598 174.864 175.328 0.224 0.000 1.082 388 H CA 1.459 57.674 56.048 0.278 0.000 1.295 388 H CB -1.402 28.500 29.762 0.233 0.000 1.380 388 H HN 0.066 nan 8.280 nan 0.000 0.548 389 P HA -0.118 nan 4.420 nan 0.000 0.222 389 P C 1.112 178.491 177.300 0.132 0.000 1.147 389 P CA 0.952 64.149 63.100 0.162 0.000 0.790 389 P CB 0.031 31.777 31.700 0.078 0.000 0.780 390 L N -2.523 118.781 121.223 0.135 0.000 2.131 390 L HA -0.107 4.233 4.340 -0.000 0.000 0.210 390 L C 1.225 178.159 176.870 0.106 0.000 1.092 390 L CA 0.684 55.585 54.840 0.101 0.000 0.759 390 L CB -0.715 41.426 42.059 0.136 0.000 0.903 390 L HN 0.080 nan 8.230 nan 0.000 0.435 391 M N 0.915 120.597 119.600 0.137 0.000 2.249 391 M HA 0.130 4.610 4.480 -0.000 0.000 0.340 391 M C -1.873 174.485 176.300 0.097 0.000 1.166 391 M CA -2.128 53.244 55.300 0.120 0.000 1.115 391 M CB -0.348 32.439 32.600 0.312 0.000 1.606 391 M HN -0.152 nan 8.290 nan 0.000 0.448 392 P HA 0.199 nan 4.420 nan 0.000 0.302 392 P C -0.234 176.898 177.300 -0.280 0.000 1.307 392 P CA -0.186 62.672 63.100 -0.404 0.000 0.754 392 P CB 0.884 32.139 31.700 -0.741 0.000 1.298 393 D N -1.576 118.604 120.400 -0.366 0.000 2.213 393 D HA 0.013 4.653 4.640 -0.000 0.000 0.205 393 D C 0.798 177.012 176.300 -0.143 0.000 0.961 393 D CA 1.225 55.179 54.000 -0.076 0.000 0.853 393 D CB 0.022 40.765 40.800 -0.095 0.000 0.967 393 D HN 0.480 nan 8.370 nan 0.000 0.496 394 S N -1.200 114.188 115.700 -0.520 0.000 2.611 394 S HA 0.568 5.038 4.470 -0.000 0.000 0.268 394 S C -1.425 172.656 174.600 -0.865 0.000 1.156 394 S CA -1.027 56.844 58.200 -0.548 0.000 0.817 394 S CB 0.787 63.877 63.200 -0.183 0.000 1.122 394 S HN -0.108 nan 8.310 nan 0.000 0.466 395 F N 1.047 120.795 119.950 -0.337 0.000 2.347 395 F HA 0.572 5.099 4.527 -0.000 0.000 0.366 395 F C 0.677 176.414 175.800 -0.105 0.000 1.107 395 F CA -0.656 57.154 58.000 -0.317 0.000 1.058 395 F CB 1.313 39.876 39.000 -0.729 0.000 1.236 395 F HN 0.584 nan 8.300 nan 0.000 0.456 396 R N 2.657 123.165 120.500 0.013 0.000 2.216 396 R HA 0.589 4.929 4.340 -0.000 0.000 0.332 396 R C -1.421 174.903 176.300 0.041 0.000 1.056 396 R CA -0.197 55.902 56.100 -0.002 0.000 0.901 396 R CB 0.664 30.933 30.300 -0.052 0.000 1.039 396 R HN 0.524 nan 8.270 nan 0.000 0.456 397 V N 6.132 126.055 119.914 0.015 0.000 2.305 397 V HA 0.406 4.526 4.120 -0.000 0.000 0.275 397 V C 0.907 176.978 176.094 -0.038 0.000 1.020 397 V CA 0.230 62.485 62.300 -0.076 0.000 0.811 397 V CB 0.581 32.267 31.823 -0.228 0.000 1.031 397 V HN 1.170 nan 8.190 nan 0.000 0.439 398 G N 7.365 116.153 108.800 -0.020 0.000 2.550 398 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.277 398 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.277 398 G C -0.775 174.126 174.900 0.002 0.000 1.190 398 G CA 0.351 45.462 45.100 0.019 0.000 0.971 398 G HN 0.556 nan 8.290 nan 0.000 0.559 399 P HA 0.058 nan 4.420 nan 0.000 0.222 399 P C 0.611 177.877 177.300 -0.056 0.000 1.153 399 P CA 0.988 64.081 63.100 -0.013 0.000 0.798 399 P CB 0.068 31.771 31.700 0.005 0.000 0.796 400 Q N 1.120 120.875 119.800 -0.075 0.000 2.327 400 Q HA 0.179 4.519 4.340 -0.000 0.000 0.254 400 Q C -0.529 175.253 176.000 -0.363 0.000 0.952 400 Q CA 0.540 56.193 55.803 -0.250 0.000 0.884 400 Q CB 0.632 29.173 28.738 -0.328 0.000 1.224 400 Q HN 0.067 nan 8.270 nan 0.000 0.422 401 D N 1.632 121.784 120.400 -0.413 0.000 2.425 401 D HA 0.263 4.903 4.640 -0.000 0.000 0.240 401 D C -1.504 174.586 176.300 -0.350 0.000 1.080 401 D CA -0.366 53.461 54.000 -0.288 0.000 0.836 401 D CB 0.423 41.132 40.800 -0.151 0.000 1.125 401 D HN 0.205 nan 8.370 nan 0.000 0.525 402 Y N 1.769 122.100 120.300 0.052 0.000 2.330 402 Y HA 0.317 4.867 4.550 -0.000 0.000 0.336 402 Y C 1.133 177.105 175.900 0.120 0.000 1.036 402 Y CA -0.833 57.330 58.100 0.104 0.000 1.125 402 Y CB 1.477 40.019 38.460 0.136 0.000 1.194 402 Y HN 0.329 nan 8.280 nan 0.000 0.469 403 S N 1.336 117.216 115.700 0.301 0.000 2.655 403 S HA 0.137 4.607 4.470 -0.000 0.000 0.265 403 S C 0.689 175.458 174.600 0.281 0.000 1.240 403 S CA -0.441 57.906 58.200 0.245 0.000 0.986 403 S CB 0.388 63.732 63.200 0.242 0.000 0.985 403 S HN 0.648 nan 8.310 nan 0.000 0.562 404 Y N 1.390 121.770 120.300 0.133 0.000 2.224 404 Y HA -0.093 4.457 4.550 -0.000 0.000 0.289 404 Y C 2.672 178.655 175.900 0.139 0.000 1.146 404 Y CA 1.897 60.047 58.100 0.084 0.000 1.182 404 Y CB -0.202 37.927 38.460 -0.552 0.000 0.983 404 Y HN 0.723 nan 8.280 nan 0.000 0.524 405 E N -0.152 120.227 120.200 0.298 0.000 2.274 405 E HA -0.179 4.171 4.350 -0.000 0.000 0.194 405 E C 1.381 178.129 176.600 0.247 0.000 0.996 405 E CA 0.969 57.535 56.400 0.277 0.000 0.840 405 E CB -0.441 29.412 29.700 0.255 0.000 0.772 405 E HN 0.628 nan 8.360 nan 0.000 0.491 406 Q N -0.961 118.995 119.800 0.261 0.000 2.402 406 Q HA 0.115 4.455 4.340 -0.000 0.000 0.206 406 Q C 1.180 177.288 176.000 0.180 0.000 0.919 406 Q CA 0.230 56.175 55.803 0.237 0.000 0.923 406 Q CB 0.156 29.103 28.738 0.349 0.000 1.048 406 Q HN 0.170 nan 8.270 nan 0.000 0.515 407 F N 0.111 120.039 119.950 -0.036 0.000 2.399 407 F HA 0.029 4.556 4.527 -0.000 0.000 0.282 407 F C 1.515 177.183 175.800 -0.219 0.000 1.027 407 F CA 0.109 57.964 58.000 -0.242 0.000 1.333 407 F CB -0.151 38.523 39.000 -0.544 0.000 1.132 407 F HN -0.103 nan 8.300 nan 0.000 0.590 408 L N 0.144 121.321 121.223 -0.077 0.000 2.026 408 L HA -0.290 4.050 4.340 -0.000 0.000 0.231 408 L C 1.337 177.915 176.870 -0.486 0.000 1.095 408 L CA 2.221 56.911 54.840 -0.251 0.000 0.810 408 L CB -1.213 40.884 42.059 0.064 0.000 0.909 408 L HN 0.141 nan 8.230 nan 0.000 0.444 409 F N -1.385 118.527 119.950 -0.063 0.000 2.850 409 F HA 0.271 4.798 4.527 -0.000 0.000 0.306 409 F C 0.796 176.571 175.800 -0.041 0.000 1.162 409 F CA -0.977 57.005 58.000 -0.029 0.000 1.327 409 F CB -0.690 38.340 39.000 0.050 0.000 0.953 409 F HN 0.004 nan 8.300 nan 0.000 0.507 410 N N 1.395 120.073 118.700 -0.038 0.000 2.438 410 N HA -0.039 4.701 4.740 -0.000 0.000 0.267 410 N C 1.159 176.631 175.510 -0.065 0.000 1.222 410 N CA 0.550 53.561 53.050 -0.064 0.000 0.930 410 N CB 1.010 39.397 38.487 -0.168 0.000 1.083 410 N HN 0.301 nan 8.380 nan 0.000 0.476 411 T N -1.020 113.522 114.554 -0.020 0.000 3.107 411 T HA 0.016 4.366 4.350 -0.000 0.000 0.249 411 T C 1.409 176.060 174.700 -0.082 0.000 1.096 411 T CA 0.462 62.539 62.100 -0.037 0.000 1.012 411 T CB -0.034 68.798 68.868 -0.060 0.000 0.977 411 T HN 0.422 nan 8.240 nan 0.000 0.527 412 S N -0.094 115.557 115.700 -0.082 0.000 2.554 412 S HA 0.265 4.735 4.470 -0.000 0.000 0.227 412 S C 1.832 176.382 174.600 -0.082 0.000 1.050 412 S CA -0.165 57.980 58.200 -0.093 0.000 0.927 412 S CB -0.340 62.817 63.200 -0.071 0.000 0.859 412 S HN 0.288 nan 8.310 nan 0.000 0.494 413 M N 1.277 120.834 119.600 -0.071 0.000 2.082 413 M HA -0.107 4.373 4.480 -0.000 0.000 0.258 413 M C 2.078 178.408 176.300 0.051 0.000 1.069 413 M CA 1.898 57.199 55.300 0.000 0.000 1.102 413 M CB -0.368 32.176 32.600 -0.093 0.000 1.336 413 M HN 0.464 nan 8.290 nan 0.000 0.404 414 L N 0.141 121.338 121.223 -0.044 0.000 2.012 414 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 414 L C 2.041 178.879 176.870 -0.053 0.000 1.073 414 L CA 1.830 56.652 54.840 -0.030 0.000 0.748 414 L CB -0.875 41.148 42.059 -0.061 0.000 0.891 414 L HN 0.228 nan 8.230 nan 0.000 0.431 415 V N -0.209 119.575 119.914 -0.217 0.000 2.548 415 V HA -0.187 3.933 4.120 -0.000 0.000 0.249 415 V C 2.266 178.280 176.094 -0.134 0.000 1.055 415 V CA 1.541 63.632 62.300 -0.348 0.000 1.065 415 V CB -0.839 30.701 31.823 -0.471 0.000 0.681 415 V HN 0.430 nan 8.190 nan 0.000 0.462 416 D N -0.308 120.034 120.400 -0.098 0.000 2.092 416 D HA -0.186 4.454 4.640 -0.000 0.000 0.193 416 D C 2.043 178.242 176.300 -0.168 0.000 0.994 416 D CA 1.882 55.797 54.000 -0.142 0.000 0.828 416 D CB -0.245 40.447 40.800 -0.179 0.000 0.963 416 D HN 0.549 nan 8.370 nan 0.000 0.450 417 Y N 0.243 120.522 120.300 -0.034 0.000 2.397 417 Y HA 0.253 4.803 4.550 -0.000 0.000 0.292 417 Y C 1.669 177.567 175.900 -0.003 0.000 1.115 417 Y CA 0.729 58.818 58.100 -0.019 0.000 1.208 417 Y CB 0.124 38.561 38.460 -0.038 0.000 1.046 417 Y HN 0.047 nan 8.280 nan 0.000 0.552 418 G N -0.372 108.533 108.800 0.176 0.000 2.746 418 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.685 418 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.685 418 G C 0.492 175.454 174.900 0.103 0.000 1.350 418 G CA -0.484 44.726 45.100 0.183 0.000 0.837 418 G HN 0.025 nan 8.290 nan 0.000 0.564 419 V N 0.859 120.809 119.914 0.060 0.000 2.233 419 V HA -0.195 3.925 4.120 -0.000 0.000 0.247 419 V C 2.758 178.809 176.094 -0.071 0.000 1.050 419 V CA 3.223 65.501 62.300 -0.037 0.000 1.010 419 V CB -0.988 30.779 31.823 -0.094 0.000 0.637 419 V HN 0.865 nan 8.190 nan 0.000 0.444 420 E N 0.896 121.065 120.200 -0.052 0.000 2.086 420 E HA -0.256 4.094 4.350 -0.000 0.000 0.200 420 E C 2.223 178.794 176.600 -0.050 0.000 1.012 420 E CA 1.812 58.182 56.400 -0.050 0.000 0.812 420 E CB -0.750 28.934 29.700 -0.028 0.000 0.743 420 E HN 0.599 nan 8.360 nan 0.000 0.453 421 A N 0.707 123.515 122.820 -0.021 0.000 1.883 421 A HA -0.172 4.147 4.320 -0.000 0.000 0.217 421 A C 2.271 179.749 177.584 -0.176 0.000 1.186 421 A CA 1.432 53.456 52.037 -0.022 0.000 0.624 421 A CB -0.759 18.315 19.000 0.123 0.000 0.822 421 A HN 0.196 nan 8.150 nan 0.000 0.444 422 L N -0.606 120.457 121.223 -0.265 0.000 2.056 422 L HA -0.147 4.193 4.340 -0.000 0.000 0.207 422 L C 2.548 179.057 176.870 -0.602 0.000 1.078 422 L CA 1.009 55.468 54.840 -0.635 0.000 0.749 422 L CB -0.624 41.102 42.059 -0.556 0.000 0.901 422 L HN 0.248 nan 8.230 nan 0.000 0.433 423 V N 0.210 119.972 119.914 -0.253 0.000 2.332 423 V HA -0.354 3.766 4.120 -0.000 0.000 0.248 423 V C 2.152 178.229 176.094 -0.028 0.000 1.055 423 V CA 2.303 64.547 62.300 -0.094 0.000 1.038 423 V CB -0.486 31.279 31.823 -0.097 0.000 0.651 423 V HN 0.496 nan 8.190 nan 0.000 0.450 424 D N -0.275 120.096 120.400 -0.048 0.000 2.117 424 D HA -0.136 4.504 4.640 -0.000 0.000 0.197 424 D C 2.128 178.463 176.300 0.058 0.000 0.987 424 D CA 1.436 55.464 54.000 0.047 0.000 0.829 424 D CB -0.151 40.669 40.800 0.033 0.000 0.961 424 D HN 0.391 nan 8.370 nan 0.000 0.460 425 A N -0.225 122.544 122.820 -0.085 0.000 1.858 425 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 425 A C 1.920 179.597 177.584 0.154 0.000 1.190 425 A CA 1.134 53.136 52.037 -0.060 0.000 0.617 425 A CB -1.074 17.770 19.000 -0.260 0.000 0.827 425 A HN 0.306 nan 8.150 nan 0.000 0.443 426 F N 0.942 120.985 119.950 0.156 0.000 2.269 426 F HA -0.056 4.471 4.527 -0.000 0.000 0.301 426 F C 2.632 178.566 175.800 0.223 0.000 1.082 426 F CA 0.897 59.036 58.000 0.232 0.000 1.360 426 F CB -1.082 38.130 39.000 0.354 0.000 1.041 426 F HN 0.129 nan 8.300 nan 0.000 0.512 427 S N -0.582 115.345 115.700 0.378 0.000 2.461 427 S HA -0.035 4.435 4.470 -0.000 0.000 0.228 427 S C 1.974 176.819 174.600 0.408 0.000 1.005 427 S CA 0.500 58.908 58.200 0.346 0.000 0.942 427 S CB -0.050 63.273 63.200 0.205 0.000 0.776 427 S HN 0.361 nan 8.310 nan 0.000 0.514 428 R N 0.590 121.278 120.500 0.313 0.000 2.189 428 R HA 0.192 4.532 4.340 -0.000 0.000 0.203 428 R C 1.015 177.401 176.300 0.143 0.000 1.012 428 R CA 0.158 56.379 56.100 0.202 0.000 1.015 428 R CB 0.173 30.540 30.300 0.111 0.000 0.938 428 R HN 0.330 nan 8.270 nan 0.000 0.472 429 Q N 2.493 122.388 119.800 0.159 0.000 2.294 429 Q HA 0.192 4.532 4.340 -0.000 0.000 0.257 429 Q C -2.285 173.763 176.000 0.080 0.000 0.955 429 Q CA -2.444 53.412 55.803 0.088 0.000 0.936 429 Q CB 1.203 29.981 28.738 0.068 0.000 1.188 429 Q HN -0.077 nan 8.270 nan 0.000 0.420 430 P HA 0.048 nan 4.420 nan 0.000 0.271 430 P C -1.338 176.034 177.300 0.120 0.000 1.218 430 P CA 0.003 63.155 63.100 0.087 0.000 0.780 430 P CB 1.018 32.791 31.700 0.121 0.000 0.901 431 A N 2.790 125.666 122.820 0.094 0.000 2.282 431 A HA 0.674 4.994 4.320 -0.000 0.000 0.319 431 A C 0.684 178.355 177.584 0.144 0.000 1.121 431 A CA -0.379 51.721 52.037 0.104 0.000 0.836 431 A CB 0.334 19.348 19.000 0.023 0.000 1.146 431 A HN 0.578 nan 8.150 nan 0.000 0.494 432 G N -0.147 108.765 108.800 0.188 0.000 2.569 432 G HA2 0.434 4.394 3.960 -0.000 0.000 0.249 432 G HA3 0.434 4.394 3.960 -0.000 0.000 0.249 432 G C 0.263 175.045 174.900 -0.196 0.000 1.216 432 G CA -0.536 44.508 45.100 -0.092 0.000 0.845 432 G HN 0.924 nan 8.290 nan 0.000 0.568 433 R N 0.992 121.313 120.500 -0.299 0.000 2.491 433 R HA 0.190 4.530 4.340 -0.000 0.000 0.283 433 R C 1.065 177.236 176.300 -0.215 0.000 1.072 433 R CA -0.412 55.523 56.100 -0.275 0.000 1.048 433 R CB 0.325 30.466 30.300 -0.265 0.000 0.983 433 R HN 0.528 nan 8.270 nan 0.000 0.450 434 I N 2.384 122.803 120.570 -0.252 0.000 2.235 434 I HA 0.001 4.171 4.170 -0.000 0.000 0.241 434 I C 1.481 177.526 176.117 -0.121 0.000 1.085 434 I CA 1.070 62.255 61.300 -0.191 0.000 1.378 434 I CB -0.342 37.462 38.000 -0.326 0.000 1.076 434 I HN 0.733 nan 8.210 nan 0.000 0.415 435 G N -1.098 107.641 108.800 -0.101 0.000 2.547 435 G HA2 0.439 4.399 3.960 -0.000 0.000 0.291 435 G HA3 0.439 4.399 3.960 -0.000 0.000 0.291 435 G C 0.737 175.569 174.900 -0.114 0.000 1.211 435 G CA 0.258 45.302 45.100 -0.093 0.000 0.950 435 G HN 0.503 nan 8.290 nan 0.000 0.504 436 G N -1.885 106.844 108.800 -0.118 0.000 2.313 436 G HA2 0.380 4.340 3.960 -0.000 0.000 0.215 436 G HA3 0.380 4.340 3.960 -0.000 0.000 0.215 436 G C 1.221 176.067 174.900 -0.089 0.000 1.023 436 G CA 0.840 45.878 45.100 -0.104 0.000 0.626 436 G HN 2.851 nan 8.290 nan 0.000 0.503 437 G N -0.450 108.298 108.800 -0.087 0.000 2.707 437 G HA2 0.339 4.299 3.960 -0.000 0.000 0.686 437 G HA3 0.339 4.299 3.960 -0.000 0.000 0.686 437 G C 0.203 175.083 174.900 -0.033 0.000 1.315 437 G CA 0.372 45.442 45.100 -0.050 0.000 0.832 437 G HN 1.676 nan 8.290 nan 0.000 0.573 438 R N -0.981 119.515 120.500 -0.007 0.000 3.251 438 R HA -0.228 4.112 4.340 -0.000 0.000 0.249 438 R C 0.444 176.733 176.300 -0.017 0.000 0.949 438 R CA 1.121 57.212 56.100 -0.014 0.000 0.645 438 R CB -1.234 29.049 30.300 -0.028 0.000 1.065 438 R HN 0.817 nan 8.270 nan 0.000 0.452 439 N N 0.110 118.808 118.700 -0.004 0.000 2.381 439 N HA 0.252 4.992 4.740 -0.000 0.000 0.257 439 N C -0.940 174.606 175.510 0.060 0.000 1.409 439 N CA -0.200 52.849 53.050 -0.001 0.000 0.836 439 N CB 0.845 39.290 38.487 -0.069 0.000 1.384 439 N HN 0.269 nan 8.380 nan 0.000 0.490 440 I N 0.690 121.309 120.570 0.081 0.000 2.339 440 I HA 0.225 4.395 4.170 -0.000 0.000 0.290 440 I C 0.016 176.201 176.117 0.113 0.000 0.994 440 I CA -0.965 60.409 61.300 0.123 0.000 1.191 440 I CB 1.352 39.430 38.000 0.129 0.000 1.343 440 I HN 0.123 nan 8.210 nan 0.000 0.458 441 D N 3.978 124.453 120.400 0.125 0.000 2.488 441 D HA -0.092 4.548 4.640 -0.000 0.000 0.238 441 D C 1.497 177.774 176.300 -0.039 0.000 1.138 441 D CA 0.325 54.359 54.000 0.056 0.000 0.873 441 D CB 0.717 41.543 40.800 0.044 0.000 1.183 441 D HN 0.628 nan 8.370 nan 0.000 0.458 442 H N 2.313 121.376 119.070 -0.012 0.000 2.422 442 H HA -0.177 4.379 4.556 -0.000 0.000 0.298 442 H C 1.295 176.570 175.328 -0.090 0.000 1.098 442 H CA 1.687 57.694 56.048 -0.069 0.000 1.315 442 H CB -0.271 29.415 29.762 -0.128 0.000 1.382 442 H HN 0.552 nan 8.280 nan 0.000 0.523 443 H N 0.735 119.383 119.070 -0.703 0.000 2.422 443 H HA -0.057 4.499 4.556 -0.000 0.000 0.298 443 H C 1.720 176.995 175.328 -0.087 0.000 1.098 443 H CA 1.792 57.566 56.048 -0.457 0.000 1.315 443 H CB 0.232 29.410 29.762 -0.972 0.000 1.382 443 H HN 0.704 nan 8.280 nan 0.000 0.523 444 I N -2.055 118.536 120.570 0.035 0.000 4.050 444 I HA 0.073 4.243 4.170 -0.000 0.000 0.327 444 I C 1.590 177.681 176.117 -0.044 0.000 1.473 444 I CA -0.085 61.261 61.300 0.076 0.000 1.124 444 I CB 0.101 38.174 38.000 0.121 0.000 1.129 444 I HN -0.096 nan 8.210 nan 0.000 0.428 445 L N 2.838 124.094 121.223 0.054 0.000 2.187 445 L HA -0.217 4.123 4.340 -0.000 0.000 0.213 445 L C 2.801 179.677 176.870 0.009 0.000 1.100 445 L CA 2.175 57.038 54.840 0.039 0.000 0.765 445 L CB -0.934 41.174 42.059 0.081 0.000 0.904 445 L HN 0.546 nan 8.230 nan 0.000 0.437 446 H N -2.426 116.650 119.070 0.009 0.000 2.457 446 H HA -0.081 4.475 4.556 -0.000 0.000 0.297 446 H C 1.963 177.272 175.328 -0.032 0.000 1.092 446 H CA 1.630 57.680 56.048 0.003 0.000 1.309 446 H CB -1.033 28.741 29.762 0.020 0.000 1.382 446 H HN 0.319 nan 8.280 nan 0.000 0.535 447 V N 1.836 121.377 119.914 -0.623 0.000 2.358 447 V HA -0.205 3.915 4.120 -0.000 0.000 0.246 447 V C 3.215 179.120 176.094 -0.315 0.000 1.047 447 V CA 1.629 63.625 62.300 -0.507 0.000 1.035 447 V CB -1.105 30.274 31.823 -0.740 0.000 0.658 447 V HN 0.656 nan 8.190 nan 0.000 0.452 448 A N -0.069 122.620 122.820 -0.219 0.000 1.902 448 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 448 A C 2.385 179.944 177.584 -0.041 0.000 1.181 448 A CA 2.061 54.062 52.037 -0.060 0.000 0.623 448 A CB -0.721 18.358 19.000 0.131 0.000 0.818 448 A HN 0.340 nan 8.150 nan 0.000 0.443 449 V N 0.767 120.674 119.914 -0.012 0.000 2.332 449 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 449 V C 2.080 178.166 176.094 -0.013 0.000 1.055 449 V CA 2.329 64.643 62.300 0.023 0.000 1.038 449 V CB -0.773 31.082 31.823 0.054 0.000 0.651 449 V HN 0.520 nan 8.190 nan 0.000 0.450 450 D N -0.206 120.162 120.400 -0.053 0.000 2.183 450 D HA -0.081 4.559 4.640 -0.000 0.000 0.203 450 D C 2.188 178.402 176.300 -0.142 0.000 0.969 450 D CA 0.996 54.957 54.000 -0.065 0.000 0.842 450 D CB -0.054 40.721 40.800 -0.043 0.000 0.957 450 D HN 0.339 nan 8.370 nan 0.000 0.484 451 V N 1.457 121.207 119.914 -0.274 0.000 2.407 451 V HA -0.207 3.913 4.120 -0.000 0.000 0.248 451 V C 2.493 178.433 176.094 -0.257 0.000 1.055 451 V CA 1.072 63.096 62.300 -0.459 0.000 1.049 451 V CB -0.282 30.962 31.823 -0.965 0.000 0.662 451 V HN 0.183 nan 8.190 nan 0.000 0.455 452 I N -0.589 119.912 120.570 -0.114 0.000 2.252 452 I HA -0.224 3.946 4.170 -0.000 0.000 0.245 452 I C 2.518 178.646 176.117 0.020 0.000 1.102 452 I CA 1.512 62.825 61.300 0.022 0.000 1.385 452 I CB -0.409 37.650 38.000 0.098 0.000 1.064 452 I HN 0.245 nan 8.210 nan 0.000 0.414 453 K N 0.572 120.972 120.400 -0.001 0.000 2.057 453 K HA -0.229 4.091 4.320 -0.000 0.000 0.206 453 K C 2.087 178.687 176.600 0.000 0.000 1.050 453 K CA 1.466 57.760 56.287 0.011 0.000 0.935 453 K CB -0.136 32.371 32.500 0.010 0.000 0.715 453 K HN 0.301 nan 8.250 nan 0.000 0.439 454 E N 0.568 120.747 120.200 -0.035 0.000 2.106 454 E HA -0.180 4.170 4.350 -0.000 0.000 0.192 454 E C 2.016 178.600 176.600 -0.027 0.000 0.984 454 E CA 1.054 57.432 56.400 -0.037 0.000 0.806 454 E CB 0.028 29.681 29.700 -0.078 0.000 0.750 454 E HN 0.115 nan 8.360 nan 0.000 0.458 455 S N 0.142 115.824 115.700 -0.030 0.000 2.374 455 S HA -0.200 4.269 4.470 -0.000 0.000 0.227 455 S C 1.960 176.586 174.600 0.044 0.000 1.037 455 S CA 1.522 59.727 58.200 0.007 0.000 1.024 455 S CB -0.171 63.064 63.200 0.059 0.000 0.861 455 S HN 0.287 nan 8.310 nan 0.000 0.456 456 R N -0.084 120.448 120.500 0.054 0.000 2.090 456 R HA 0.036 4.376 4.340 -0.000 0.000 0.228 456 R C 2.276 178.606 176.300 0.051 0.000 1.110 456 R CA 1.326 57.465 56.100 0.066 0.000 0.973 456 R CB -0.461 29.880 30.300 0.067 0.000 0.869 456 R HN 0.318 nan 8.270 nan 0.000 0.440 457 V N 0.956 120.892 119.914 0.037 0.000 2.358 457 V HA -0.179 3.941 4.120 -0.000 0.000 0.246 457 V C 1.872 177.988 176.094 0.036 0.000 1.047 457 V CA 1.302 63.624 62.300 0.037 0.000 1.035 457 V CB -0.286 31.557 31.823 0.033 0.000 0.658 457 V HN 0.200 nan 8.190 nan 0.000 0.452 458 L N -0.103 121.135 121.223 0.025 0.000 2.465 458 L HA 0.096 4.436 4.340 -0.000 0.000 0.224 458 L C 1.333 178.222 176.870 0.033 0.000 1.145 458 L CA 0.983 55.833 54.840 0.018 0.000 0.834 458 L CB -1.399 40.653 42.059 -0.011 0.000 0.944 458 L HN 0.412 nan 8.230 nan 0.000 0.451 459 R N -0.941 119.588 120.500 0.049 0.000 3.264 459 R HA -0.212 4.128 4.340 -0.000 0.000 0.251 459 R C -0.289 176.061 176.300 0.083 0.000 0.971 459 R CA -0.078 56.063 56.100 0.068 0.000 0.658 459 R CB -2.014 28.322 30.300 0.060 0.000 1.095 459 R HN 0.055 nan 8.270 nan 0.000 0.443 460 L N 1.379 122.655 121.223 0.088 0.000 2.456 460 L HA 0.046 4.386 4.340 -0.000 0.000 0.272 460 L C 1.391 178.375 176.870 0.189 0.000 1.189 460 L CA 0.835 55.749 54.840 0.123 0.000 0.846 460 L CB 0.657 42.752 42.059 0.060 0.000 1.111 460 L HN 0.192 nan 8.230 nan 0.000 0.475 461 Q N 4.829 124.757 119.800 0.214 0.000 2.492 461 Q HA 0.176 4.516 4.340 -0.000 0.000 0.238 461 Q C -2.005 174.122 176.000 0.212 0.000 1.045 461 Q CA -1.479 54.368 55.803 0.074 0.000 0.934 461 Q CB 0.273 28.835 28.738 -0.293 0.000 1.276 461 Q HN 0.430 nan 8.270 nan 0.000 0.521 462 P HA -0.121 nan 4.420 nan 0.000 0.269 462 P C 0.066 177.550 177.300 0.307 0.000 1.215 462 P CA 0.150 63.366 63.100 0.194 0.000 0.780 462 P CB 0.434 32.201 31.700 0.112 0.000 0.898 463 F N 3.357 123.428 119.950 0.201 0.000 2.063 463 F HA -0.304 4.223 4.527 -0.000 0.000 0.298 463 F C 1.899 177.804 175.800 0.175 0.000 1.109 463 F CA 2.106 60.240 58.000 0.224 0.000 1.212 463 F CB -1.020 38.007 39.000 0.045 0.000 0.973 463 F HN 0.253 nan 8.300 nan 0.000 0.480 464 N N 0.459 119.180 118.700 0.036 0.000 2.205 464 N HA -0.168 4.572 4.740 -0.000 0.000 0.186 464 N C 1.752 177.162 175.510 -0.167 0.000 1.015 464 N CA 1.380 54.362 53.050 -0.113 0.000 0.862 464 N CB -0.426 38.038 38.487 -0.039 0.000 0.986 464 N HN 0.399 nan 8.380 nan 0.000 0.429 465 E N -0.151 119.949 120.200 -0.167 0.000 2.106 465 E HA -0.111 4.239 4.350 -0.000 0.000 0.192 465 E C 1.714 178.126 176.600 -0.314 0.000 0.984 465 E CA 0.758 56.967 56.400 -0.319 0.000 0.806 465 E CB -0.387 28.979 29.700 -0.556 0.000 0.750 465 E HN 0.513 nan 8.360 nan 0.000 0.458 466 Y N 0.880 121.118 120.300 -0.103 0.000 2.373 466 Y HA -0.063 4.487 4.550 -0.000 0.000 0.293 466 Y C 2.414 178.309 175.900 -0.009 0.000 1.129 466 Y CA 0.806 58.934 58.100 0.047 0.000 1.226 466 Y CB 0.080 38.729 38.460 0.316 0.000 1.000 466 Y HN -0.061 nan 8.280 nan 0.000 0.549 467 R N 0.590 121.008 120.500 -0.136 0.000 2.080 467 R HA -0.166 4.174 4.340 -0.000 0.000 0.236 467 R C 2.028 178.261 176.300 -0.112 0.000 1.137 467 R CA 1.490 57.459 56.100 -0.218 0.000 0.943 467 R CB -0.505 29.562 30.300 -0.389 0.000 0.846 467 R HN 0.369 nan 8.270 nan 0.000 0.431 468 K N 0.137 120.439 120.400 -0.164 0.000 2.026 468 K HA -0.161 4.159 4.320 -0.000 0.000 0.208 468 K C 2.133 178.623 176.600 -0.183 0.000 1.048 468 K CA 1.141 57.321 56.287 -0.178 0.000 0.929 468 K CB -0.222 32.141 32.500 -0.229 0.000 0.713 468 K HN -0.110 nan 8.250 nan 0.000 0.439 469 R N 0.721 121.080 120.500 -0.236 0.000 2.159 469 R HA -0.110 4.230 4.340 -0.000 0.000 0.237 469 R C 0.876 176.869 176.300 -0.512 0.000 1.131 469 R CA 1.430 57.302 56.100 -0.380 0.000 0.982 469 R CB -0.322 29.692 30.300 -0.476 0.000 0.868 469 R HN 0.107 nan 8.270 nan 0.000 0.453 470 F N -0.968 118.939 119.950 -0.072 0.000 2.684 470 F HA 0.344 4.871 4.527 -0.000 0.000 0.298 470 F C 1.379 177.144 175.800 -0.059 0.000 1.120 470 F CA 0.279 58.239 58.000 -0.066 0.000 1.332 470 F CB 0.786 39.752 39.000 -0.057 0.000 0.986 470 F HN 0.233 nan 8.300 nan 0.000 0.524 471 G N 0.392 109.209 108.800 0.029 0.000 2.159 471 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.256 471 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.256 471 G C 0.224 175.129 174.900 0.007 0.000 0.977 471 G CA -0.024 45.093 45.100 0.030 0.000 0.652 471 G HN 0.286 nan 8.290 nan 0.000 0.531 472 M N -0.099 119.483 119.600 -0.031 0.000 2.598 472 M HA 0.498 4.978 4.480 -0.000 0.000 0.317 472 M C 0.519 176.736 176.300 -0.138 0.000 1.201 472 M CA -0.673 54.575 55.300 -0.087 0.000 0.971 472 M CB 1.489 34.012 32.600 -0.128 0.000 1.657 472 M HN -0.003 nan 8.290 nan 0.000 0.470 473 K N 2.504 122.807 120.400 -0.162 0.000 2.270 473 K HA 0.336 4.656 4.320 -0.000 0.000 0.276 473 K C -2.322 174.115 176.600 -0.271 0.000 1.023 473 K CA -1.476 54.709 56.287 -0.170 0.000 0.955 473 K CB 0.212 32.632 32.500 -0.133 0.000 0.975 473 K HN 0.321 nan 8.250 nan 0.000 0.471 474 P HA -0.030 nan 4.420 nan 0.000 0.272 474 P C -0.933 176.235 177.300 -0.219 0.000 1.223 474 P CA 0.049 63.015 63.100 -0.223 0.000 0.784 474 P CB 0.382 32.006 31.700 -0.126 0.000 0.923 475 Y N 0.464 120.727 120.300 -0.062 0.000 2.425 475 Y HA 0.018 4.568 4.550 -0.000 0.000 0.331 475 Y C 2.219 178.067 175.900 -0.087 0.000 1.157 475 Y CA 0.475 58.536 58.100 -0.065 0.000 1.372 475 Y CB 0.492 38.906 38.460 -0.076 0.000 1.253 475 Y HN 0.404 nan 8.280 nan 0.000 0.536 476 T N -2.226 112.393 114.554 0.107 0.000 3.081 476 T HA 0.173 4.523 4.350 -0.000 0.000 0.250 476 T C 0.203 174.917 174.700 0.023 0.000 1.100 476 T CA 0.407 62.533 62.100 0.043 0.000 1.038 476 T CB -0.151 68.741 68.868 0.041 0.000 0.962 476 T HN 0.531 nan 8.240 nan 0.000 0.516 477 S N -1.240 114.463 115.700 0.005 0.000 2.595 477 S HA 0.529 4.999 4.470 -0.000 0.000 0.270 477 S C -0.243 174.279 174.600 -0.130 0.000 1.145 477 S CA -0.957 57.225 58.200 -0.030 0.000 0.825 477 S CB 0.028 63.261 63.200 0.053 0.000 1.107 477 S HN -0.074 nan 8.310 nan 0.000 0.461 478 F N 1.887 121.811 119.950 -0.044 0.000 2.234 478 F HA -0.033 4.494 4.527 -0.000 0.000 0.299 478 F C 2.838 178.557 175.800 -0.135 0.000 1.087 478 F CA 1.489 59.418 58.000 -0.119 0.000 1.340 478 F CB -0.092 38.847 39.000 -0.101 0.000 1.031 478 F HN 0.643 nan 8.300 nan 0.000 0.500 479 Q N 0.584 120.444 119.800 0.100 0.000 2.291 479 Q HA -0.209 4.131 4.340 -0.000 0.000 0.205 479 Q C 1.702 177.692 176.000 -0.017 0.000 0.970 479 Q CA 1.386 57.211 55.803 0.036 0.000 0.876 479 Q CB -0.824 27.944 28.738 0.050 0.000 0.935 479 Q HN 0.571 nan 8.270 nan 0.000 0.455 480 E N 0.571 120.751 120.200 -0.033 0.000 2.122 480 E HA -0.086 4.264 4.350 -0.000 0.000 0.190 480 E C 1.937 178.397 176.600 -0.232 0.000 0.977 480 E CA 0.221 56.612 56.400 -0.015 0.000 0.820 480 E CB 0.135 29.910 29.700 0.125 0.000 0.770 480 E HN 0.254 nan 8.360 nan 0.000 0.462 481 L N 1.448 122.343 121.223 -0.547 0.000 1.948 481 L HA -0.076 4.264 4.340 -0.000 0.000 0.212 481 L C 1.511 178.087 176.870 -0.489 0.000 1.074 481 L CA 2.118 56.347 54.840 -1.019 0.000 0.753 481 L CB -1.064 40.521 42.059 -0.790 0.000 0.888 481 L HN 0.142 nan 8.230 nan 0.000 0.432 482 T N -2.378 112.013 114.554 -0.270 0.000 2.828 482 T HA 0.401 4.751 4.350 -0.000 0.000 0.290 482 T C 0.874 175.509 174.700 -0.109 0.000 1.019 482 T CA -0.274 61.730 62.100 -0.159 0.000 1.031 482 T CB 0.977 69.792 68.868 -0.088 0.000 1.001 482 T HN 0.410 nan 8.240 nan 0.000 0.531 483 G N 0.604 109.362 108.800 -0.070 0.000 3.371 483 G HA2 0.428 4.388 3.960 -0.000 0.000 0.248 483 G HA3 0.428 4.388 3.960 -0.000 0.000 0.248 483 G C 0.140 175.029 174.900 -0.018 0.000 1.161 483 G CA -0.265 44.813 45.100 -0.036 0.000 0.796 483 G HN 0.923 nan 8.290 nan 0.000 0.539 484 E N -1.416 118.773 120.200 -0.018 0.000 2.469 484 E HA 0.649 4.999 4.350 -0.000 0.000 0.237 484 E C 0.462 177.067 176.600 0.008 0.000 0.840 484 E CA -0.842 55.556 56.400 -0.003 0.000 0.894 484 E CB 0.792 30.490 29.700 -0.004 0.000 1.681 484 E HN -0.223 nan 8.360 nan 0.000 0.401 485 K N -0.334 120.074 120.400 0.014 0.000 2.344 485 K HA 0.161 4.481 4.320 -0.000 0.000 0.200 485 K C 1.753 178.367 176.600 0.025 0.000 1.132 485 K CA 0.906 57.205 56.287 0.021 0.000 0.935 485 K CB -0.047 32.464 32.500 0.020 0.000 1.089 485 K HN 0.652 nan 8.250 nan 0.000 0.496 486 E N 1.366 121.581 120.200 0.024 0.000 2.012 486 E HA -0.133 4.217 4.350 -0.000 0.000 0.197 486 E C 1.988 178.623 176.600 0.059 0.000 1.007 486 E CA 1.725 58.144 56.400 0.032 0.000 0.816 486 E CB 0.002 29.716 29.700 0.023 0.000 0.762 486 E HN 0.085 nan 8.360 nan 0.000 0.451 487 M N 0.136 119.786 119.600 0.083 0.000 2.117 487 M HA -0.169 4.311 4.480 -0.000 0.000 0.262 487 M C 2.461 178.787 176.300 0.044 0.000 1.065 487 M CA 1.381 56.785 55.300 0.172 0.000 1.114 487 M CB -0.353 32.357 32.600 0.185 0.000 1.361 487 M HN 0.304 nan 8.290 nan 0.000 0.408 488 A N 0.756 123.580 122.820 0.006 0.000 1.873 488 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 488 A C 2.397 179.937 177.584 -0.073 0.000 1.193 488 A CA 2.335 54.367 52.037 -0.009 0.000 0.629 488 A CB -1.112 17.921 19.000 0.056 0.000 0.826 488 A HN 0.518 nan 8.150 nan 0.000 0.447 489 A N -0.884 121.928 122.820 -0.014 0.000 1.940 489 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 489 A C 2.055 179.614 177.584 -0.041 0.000 1.176 489 A CA 1.927 53.955 52.037 -0.015 0.000 0.631 489 A CB -0.523 18.487 19.000 0.016 0.000 0.814 489 A HN 0.687 nan 8.150 nan 0.000 0.446 490 E N -0.459 119.744 120.200 0.005 0.000 2.107 490 E HA -0.068 4.282 4.350 -0.000 0.000 0.191 490 E C 1.937 178.517 176.600 -0.034 0.000 0.982 490 E CA 0.608 57.051 56.400 0.073 0.000 0.809 490 E CB -0.129 29.717 29.700 0.242 0.000 0.756 490 E HN 0.651 nan 8.360 nan 0.000 0.459 491 L N 0.700 121.748 121.223 -0.293 0.000 2.056 491 L HA -0.164 4.176 4.340 -0.000 0.000 0.207 491 L C 2.630 178.956 176.870 -0.907 0.000 1.078 491 L CA 1.285 55.723 54.840 -0.671 0.000 0.749 491 L CB -0.365 41.087 42.059 -1.012 0.000 0.901 491 L HN 0.221 nan 8.230 nan 0.000 0.433 492 E N 0.363 120.017 120.200 -0.910 0.000 2.110 492 E HA -0.293 4.057 4.350 -0.000 0.000 0.193 492 E C 2.084 178.600 176.600 -0.141 0.000 0.988 492 E CA 1.380 57.487 56.400 -0.488 0.000 0.804 492 E CB 0.075 29.719 29.700 -0.093 0.000 0.745 492 E HN 0.457 nan 8.360 nan 0.000 0.458 493 E N 0.149 120.286 120.200 -0.106 0.000 2.072 493 E HA -0.177 4.173 4.350 -0.000 0.000 0.191 493 E C 2.205 178.794 176.600 -0.018 0.000 0.985 493 E CA 0.765 57.151 56.400 -0.024 0.000 0.801 493 E CB 0.026 29.726 29.700 0.000 0.000 0.750 493 E HN 0.316 nan 8.360 nan 0.000 0.452 494 L N -0.500 120.699 121.223 -0.039 0.000 2.023 494 L HA -0.143 4.197 4.340 -0.000 0.000 0.205 494 L C 2.287 179.095 176.870 -0.103 0.000 1.073 494 L CA 1.150 55.956 54.840 -0.058 0.000 0.745 494 L CB -0.414 41.623 42.059 -0.037 0.000 0.900 494 L HN 0.203 nan 8.230 nan 0.000 0.435 495 Y N -0.481 119.788 120.300 -0.051 0.000 2.337 495 Y HA -0.007 4.543 4.550 -0.000 0.000 0.293 495 Y C 2.085 178.048 175.900 0.105 0.000 1.123 495 Y CA 1.005 59.145 58.100 0.066 0.000 1.201 495 Y CB 0.039 38.619 38.460 0.201 0.000 1.011 495 Y HN 0.330 nan 8.280 nan 0.000 0.545 496 G N -0.539 108.395 108.800 0.223 0.000 2.396 496 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.242 496 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.242 496 G C -0.104 174.943 174.900 0.245 0.000 1.069 496 G CA 0.532 45.742 45.100 0.183 0.000 0.633 496 G HN 0.370 nan 8.290 nan 0.000 0.517 497 D N -1.023 119.583 120.400 0.344 0.000 2.977 497 D HA 0.438 5.078 4.640 -0.000 0.000 0.220 497 D C 0.977 177.429 176.300 0.253 0.000 1.267 497 D CA -0.434 53.736 54.000 0.283 0.000 0.884 497 D CB 1.160 42.065 40.800 0.175 0.000 1.667 497 D HN 0.188 nan 8.370 nan 0.000 0.536 498 I N 2.453 123.042 120.570 0.032 0.000 2.399 498 I HA -0.185 3.985 4.170 -0.000 0.000 0.254 498 I C 1.088 177.082 176.117 -0.205 0.000 1.146 498 I CA 1.620 62.634 61.300 -0.475 0.000 1.412 498 I CB 0.017 37.739 38.000 -0.464 0.000 1.076 498 I HN 0.383 nan 8.210 nan 0.000 0.432 499 D N 0.218 120.602 120.400 -0.025 0.000 2.352 499 D HA 0.105 4.744 4.640 -0.000 0.000 0.232 499 D C 1.714 178.063 176.300 0.082 0.000 1.055 499 D CA 0.917 54.937 54.000 0.033 0.000 0.891 499 D CB 0.297 41.137 40.800 0.068 0.000 0.897 499 D HN 0.526 nan 8.370 nan 0.000 0.529 500 A N 0.147 123.022 122.820 0.092 0.000 2.324 500 A HA 0.110 4.430 4.320 -0.000 0.000 0.220 500 A C 0.887 178.490 177.584 0.032 0.000 1.209 500 A CA -0.336 51.806 52.037 0.174 0.000 0.918 500 A CB 0.223 19.415 19.000 0.321 0.000 0.959 500 A HN 0.170 nan 8.150 nan 0.000 0.507 501 L N 2.118 123.186 121.223 -0.258 0.000 2.601 501 L HA 0.082 4.422 4.340 -0.000 0.000 0.277 501 L C 0.176 176.950 176.870 -0.160 0.000 1.219 501 L CA 0.329 54.794 54.840 -0.626 0.000 0.915 501 L CB -0.247 41.535 42.059 -0.463 0.000 1.160 501 L HN 0.402 nan 8.230 nan 0.000 0.494 502 E N 3.937 124.083 120.200 -0.092 0.000 2.374 502 E HA -0.007 4.343 4.350 -0.000 0.000 0.260 502 E C 0.523 177.257 176.600 0.223 0.000 1.101 502 E CA -0.201 56.311 56.400 0.187 0.000 0.907 502 E CB 0.491 30.356 29.700 0.275 0.000 1.014 502 E HN 0.662 nan 8.360 nan 0.000 0.427 503 F N 1.656 121.727 119.950 0.202 0.000 2.015 503 F HA -0.365 4.162 4.527 -0.000 0.000 0.297 503 F C 2.119 178.011 175.800 0.154 0.000 1.141 503 F CA 1.979 60.125 58.000 0.244 0.000 1.192 503 F CB -0.449 38.593 39.000 0.070 0.000 0.957 503 F HN 0.632 nan 8.300 nan 0.000 0.491 504 Y N 1.159 121.488 120.300 0.048 0.000 2.128 504 Y HA -0.087 4.463 4.550 -0.000 0.000 0.284 504 Y C -0.724 175.064 175.900 -0.188 0.000 1.154 504 Y CA 1.768 59.802 58.100 -0.111 0.000 1.149 504 Y CB -1.961 36.505 38.460 0.010 0.000 0.976 504 Y HN 0.073 nan 8.280 nan 0.000 0.505 505 P HA -0.137 nan 4.420 nan 0.000 0.216 505 P C 1.674 178.680 177.300 -0.490 0.000 1.150 505 P CA 2.352 65.300 63.100 -0.253 0.000 0.837 505 P CB -0.428 31.243 31.700 -0.049 0.000 0.786 506 G N -0.326 108.053 108.800 -0.702 0.000 2.418 506 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.217 506 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.217 506 G C 1.486 175.657 174.900 -1.215 0.000 1.158 506 G CA 0.520 44.779 45.100 -1.402 0.000 0.771 506 G HN 0.218 nan 8.290 nan 0.000 0.545 507 L N -0.089 120.626 121.223 -0.847 0.000 2.046 507 L HA -0.014 4.326 4.340 -0.000 0.000 0.208 507 L C 2.854 179.466 176.870 -0.430 0.000 1.077 507 L CA 0.729 55.276 54.840 -0.489 0.000 0.747 507 L CB -0.329 41.478 42.059 -0.419 0.000 0.896 507 L HN 0.176 nan 8.230 nan 0.000 0.432 508 L N -0.832 120.088 121.223 -0.506 0.000 2.240 508 L HA -0.122 4.218 4.340 -0.000 0.000 0.211 508 L C 2.139 178.832 176.870 -0.295 0.000 1.106 508 L CA 0.762 55.371 54.840 -0.386 0.000 0.793 508 L CB -0.153 41.628 42.059 -0.464 0.000 0.927 508 L HN 0.311 nan 8.230 nan 0.000 0.446 509 L N -0.795 120.222 121.223 -0.343 0.000 2.529 509 L HA 0.071 4.411 4.340 -0.000 0.000 0.223 509 L C 1.186 177.890 176.870 -0.277 0.000 1.113 509 L CA -0.119 54.557 54.840 -0.273 0.000 0.861 509 L CB -0.037 41.849 42.059 -0.288 0.000 1.012 509 L HN 0.214 nan 8.230 nan 0.000 0.461 510 E N 3.028 123.031 120.200 -0.327 0.000 2.452 510 E HA -0.031 4.319 4.350 -0.000 0.000 0.261 510 E C -0.072 176.412 176.600 -0.193 0.000 0.987 510 E CA -0.382 55.851 56.400 -0.278 0.000 0.926 510 E CB 0.646 30.236 29.700 -0.185 0.000 0.934 510 E HN 0.155 nan 8.360 nan 0.000 0.452 511 K N 2.909 123.206 120.400 -0.171 0.000 2.489 511 K HA 0.056 4.376 4.320 -0.000 0.000 0.278 511 K C -0.611 175.925 176.600 -0.108 0.000 1.000 511 K CA -0.610 55.608 56.287 -0.114 0.000 1.012 511 K CB 0.355 32.807 32.500 -0.081 0.000 0.903 511 K HN 0.318 nan 8.250 nan 0.000 0.485 512 C N 2.580 121.828 119.300 -0.087 0.000 2.595 512 C HA 0.138 4.598 4.460 -0.000 0.000 0.384 512 C C 0.731 175.700 174.990 -0.035 0.000 1.289 512 C CA -0.478 58.491 59.018 -0.081 0.000 2.372 512 C CB -0.574 27.130 27.740 -0.061 0.000 2.593 512 C HN 0.783 nan 8.230 nan 0.000 0.639 513 H N 1.468 120.508 119.070 -0.050 0.000 2.757 513 H HA 0.061 4.617 4.556 -0.000 0.000 0.370 513 H C -1.222 174.103 175.328 -0.004 0.000 1.172 513 H CA -0.491 55.518 56.048 -0.065 0.000 1.426 513 H CB 0.245 29.861 29.762 -0.244 0.000 1.438 513 H HN 0.517 nan 8.280 nan 0.000 0.612 514 P HA -0.308 nan 4.420 nan 0.000 0.233 514 P C -0.332 177.010 177.300 0.070 0.000 0.771 514 P CA 2.052 65.228 63.100 0.127 0.000 1.081 514 P CB 0.125 31.927 31.700 0.169 0.000 0.741 515 N N -2.138 116.597 118.700 0.058 0.000 2.535 515 N HA 0.227 4.967 4.740 -0.000 0.000 0.294 515 N C -0.789 174.699 175.510 -0.037 0.000 1.408 515 N CA -0.125 52.925 53.050 -0.002 0.000 0.927 515 N CB 0.368 38.851 38.487 -0.007 0.000 1.276 515 N HN 0.030 nan 8.380 nan 0.000 0.505 516 S N -0.040 115.651 115.700 -0.016 0.000 2.713 516 S HA 0.321 4.791 4.470 -0.000 0.000 0.283 516 S C 1.215 175.690 174.600 -0.209 0.000 1.161 516 S CA -0.776 57.379 58.200 -0.076 0.000 0.999 516 S CB 1.439 64.676 63.200 0.061 0.000 1.039 516 S HN 0.280 nan 8.310 nan 0.000 0.548 517 I N 0.633 120.951 120.570 -0.421 0.000 2.761 517 I HA 0.122 4.292 4.170 -0.000 0.000 0.261 517 I C -0.359 175.454 176.117 -0.506 0.000 1.198 517 I CA 0.924 61.865 61.300 -0.598 0.000 1.482 517 I CB -0.020 37.422 38.000 -0.930 0.000 1.100 517 I HN 0.650 nan 8.210 nan 0.000 0.445 518 F N -2.281 117.527 119.950 -0.236 0.000 2.877 518 F HA 0.637 5.164 4.527 -0.000 0.000 0.319 518 F C 0.216 175.863 175.800 -0.255 0.000 1.174 518 F CA -1.242 56.609 58.000 -0.249 0.000 0.903 518 F CB -0.066 38.757 39.000 -0.296 0.000 1.357 518 F HN -0.273 nan 8.300 nan 0.000 0.472 519 G N -0.177 108.622 108.800 -0.003 0.000 2.616 519 G HA2 0.342 4.302 3.960 -0.000 0.000 0.268 519 G HA3 0.342 4.302 3.960 -0.000 0.000 0.268 519 G C 0.434 175.104 174.900 -0.383 0.000 1.213 519 G CA -0.021 44.931 45.100 -0.247 0.000 0.926 519 G HN 1.002 nan 8.290 nan 0.000 0.523 520 E N -0.488 119.379 120.200 -0.555 0.000 2.085 520 E HA -0.160 4.190 4.350 -0.000 0.000 0.194 520 E C 2.288 178.789 176.600 -0.166 0.000 0.994 520 E CA 1.583 57.770 56.400 -0.355 0.000 0.801 520 E CB -0.407 29.183 29.700 -0.182 0.000 0.743 520 E HN 0.275 nan 8.360 nan 0.000 0.453 521 S N 0.778 116.410 115.700 -0.112 0.000 2.365 521 S HA -0.238 4.232 4.470 -0.000 0.000 0.225 521 S C 1.832 176.308 174.600 -0.207 0.000 1.039 521 S CA 1.794 59.944 58.200 -0.084 0.000 1.033 521 S CB -0.359 62.917 63.200 0.125 0.000 0.887 521 S HN 0.253 nan 8.310 nan 0.000 0.447 522 M N 1.364 120.755 119.600 -0.348 0.000 2.106 522 M HA -0.068 4.412 4.480 -0.000 0.000 0.259 522 M C 1.676 177.681 176.300 -0.490 0.000 1.068 522 M CA 1.558 56.516 55.300 -0.571 0.000 1.100 522 M CB -0.576 31.266 32.600 -1.262 0.000 1.351 522 M HN 0.310 nan 8.290 nan 0.000 0.404 523 I N -0.863 119.474 120.570 -0.388 0.000 2.235 523 I HA -0.201 3.969 4.170 -0.000 0.000 0.241 523 I C 2.042 178.118 176.117 -0.067 0.000 1.085 523 I CA 0.828 62.060 61.300 -0.114 0.000 1.378 523 I CB -0.678 37.384 38.000 0.104 0.000 1.076 523 I HN 0.198 nan 8.210 nan 0.000 0.415 524 E N 0.558 120.713 120.200 -0.074 0.000 2.204 524 E HA -0.155 4.195 4.350 -0.000 0.000 0.195 524 E C 2.083 178.534 176.600 -0.249 0.000 0.990 524 E CA 1.278 57.640 56.400 -0.064 0.000 0.821 524 E CB -0.085 29.609 29.700 -0.010 0.000 0.750 524 E HN 0.570 nan 8.360 nan 0.000 0.477 525 M N -1.015 118.333 119.600 -0.420 0.000 2.556 525 M HA 0.120 4.600 4.480 -0.000 0.000 0.264 525 M C 2.236 178.179 176.300 -0.595 0.000 1.163 525 M CA 0.986 55.710 55.300 -0.959 0.000 1.186 525 M CB 0.042 32.242 32.600 -0.667 0.000 1.321 525 M HN 0.065 nan 8.290 nan 0.000 0.485 526 G N 0.231 108.921 108.800 -0.182 0.000 2.408 526 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.215 526 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.215 526 G C 1.624 176.550 174.900 0.043 0.000 1.156 526 G CA 0.850 45.996 45.100 0.076 0.000 0.793 526 G HN 0.462 nan 8.290 nan 0.000 0.535 527 A N 1.823 124.640 122.820 -0.004 0.000 1.892 527 A HA 0.006 4.326 4.320 -0.000 0.000 0.218 527 A C 0.747 178.328 177.584 -0.006 0.000 1.188 527 A CA 2.083 54.147 52.037 0.045 0.000 0.631 527 A CB -1.278 17.759 19.000 0.061 0.000 0.822 527 A HN 0.366 nan 8.150 nan 0.000 0.447 528 P HA -0.146 nan 4.420 nan 0.000 0.215 528 P C 1.223 178.422 177.300 -0.168 0.000 1.157 528 P CA 1.193 64.219 63.100 -0.122 0.000 0.868 528 P CB -0.206 31.407 31.700 -0.145 0.000 0.788 529 F N -0.488 119.312 119.950 -0.250 0.000 2.102 529 F HA -0.197 4.330 4.527 -0.000 0.000 0.298 529 F C 2.486 177.931 175.800 -0.592 0.000 1.105 529 F CA 1.144 58.769 58.000 -0.625 0.000 1.239 529 F CB -0.800 37.384 39.000 -1.360 0.000 0.991 529 F HN -0.110 nan 8.300 nan 0.000 0.474 530 S N 0.761 116.394 115.700 -0.111 0.000 2.344 530 S HA -0.159 4.311 4.470 -0.000 0.000 0.217 530 S C 2.051 176.739 174.600 0.146 0.000 1.033 530 S CA 1.214 59.516 58.200 0.169 0.000 1.017 530 S CB -0.700 62.720 63.200 0.366 0.000 0.941 530 S HN 0.226 nan 8.310 nan 0.000 0.430 531 L N 1.249 122.548 121.223 0.126 0.000 2.043 531 L HA -0.186 4.154 4.340 -0.000 0.000 0.212 531 L C 2.530 179.489 176.870 0.148 0.000 1.075 531 L CA 1.361 56.280 54.840 0.131 0.000 0.752 531 L CB -0.540 41.586 42.059 0.112 0.000 0.891 531 L HN 0.230 nan 8.230 nan 0.000 0.432 532 K N 0.814 121.288 120.400 0.123 0.000 2.057 532 K HA -0.115 4.205 4.320 -0.000 0.000 0.207 532 K C 1.949 178.623 176.600 0.122 0.000 1.049 532 K CA 1.653 58.031 56.287 0.152 0.000 0.931 532 K CB -0.816 31.718 32.500 0.057 0.000 0.714 532 K HN 0.216 nan 8.250 nan 0.000 0.440 533 G N 0.488 109.318 108.800 0.051 0.000 2.422 533 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.218 533 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.218 533 G C 1.213 176.154 174.900 0.068 0.000 1.146 533 G CA 0.677 45.777 45.100 -0.001 0.000 0.769 533 G HN 0.190 nan 8.290 nan 0.000 0.547 534 L N 0.281 121.581 121.223 0.128 0.000 2.034 534 L HA 0.177 4.517 4.340 -0.000 0.000 0.203 534 L C 2.776 179.756 176.870 0.184 0.000 1.074 534 L CA 0.881 55.804 54.840 0.138 0.000 0.748 534 L CB -1.254 40.873 42.059 0.114 0.000 0.905 534 L HN 0.121 nan 8.230 nan 0.000 0.439 535 L N -0.328 121.032 121.223 0.229 0.000 2.395 535 L HA 0.029 4.369 4.340 -0.000 0.000 0.218 535 L C 1.850 179.039 176.870 0.533 0.000 1.130 535 L CA 1.067 56.085 54.840 0.297 0.000 0.826 535 L CB -1.411 40.693 42.059 0.075 0.000 0.941 535 L HN 0.347 nan 8.230 nan 0.000 0.451 536 G N 0.106 109.182 108.800 0.460 0.000 3.332 536 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.242 536 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.242 536 G C 0.561 175.632 174.900 0.285 0.000 1.276 536 G CA -0.213 45.096 45.100 0.348 0.000 0.988 536 G HN 0.240 nan 8.290 nan 0.000 0.517 537 N N 0.694 119.594 118.700 0.334 0.000 2.456 537 N HA 0.204 4.944 4.740 -0.000 0.000 0.288 537 N C -1.349 174.313 175.510 0.253 0.000 1.059 537 N CA -1.857 51.342 53.050 0.248 0.000 0.946 537 N CB 2.810 41.439 38.487 0.237 0.000 1.150 537 N HN -0.148 nan 8.380 nan 0.000 0.479 538 P HA -0.148 nan 4.420 nan 0.000 0.220 538 P C 1.416 178.671 177.300 -0.075 0.000 1.144 538 P CA 1.165 64.191 63.100 -0.123 0.000 0.800 538 P CB -0.063 31.508 31.700 -0.215 0.000 0.772 539 I N -3.773 116.989 120.570 0.319 0.000 3.176 539 I HA -0.017 4.153 4.170 -0.000 0.000 0.275 539 I C 1.331 177.776 176.117 0.548 0.000 1.298 539 I CA 0.889 62.532 61.300 0.571 0.000 1.445 539 I CB -0.965 37.447 38.000 0.687 0.000 1.075 539 I HN -0.173 nan 8.210 nan 0.000 0.482 540 C N 1.437 120.909 119.300 0.287 0.000 2.791 540 C HA 0.244 4.704 4.460 -0.000 0.000 0.270 540 C C 1.641 176.575 174.990 -0.094 0.000 1.257 540 C CA 0.071 59.176 59.018 0.146 0.000 1.699 540 C CB -1.761 26.145 27.740 0.276 0.000 1.904 540 C HN 0.690 nan 8.230 nan 0.000 0.603 541 S N 1.454 116.891 115.700 -0.439 0.000 2.601 541 S HA 0.281 4.751 4.470 -0.000 0.000 0.271 541 S C -1.809 172.624 174.600 -0.279 0.000 1.305 541 S CA -0.674 56.943 58.200 -0.971 0.000 1.022 541 S CB 1.004 63.633 63.200 -0.951 0.000 0.940 541 S HN 0.012 nan 8.310 nan 0.000 0.525 542 P HA -0.126 nan 4.420 nan 0.000 0.216 542 P C 1.364 178.582 177.300 -0.137 0.000 1.150 542 P CA 1.259 63.996 63.100 -0.604 0.000 0.843 542 P CB 0.092 31.332 31.700 -0.766 0.000 0.787 543 E N -1.453 118.690 120.200 -0.095 0.000 2.106 543 E HA -0.165 4.185 4.350 -0.000 0.000 0.192 543 E C 1.714 178.472 176.600 0.263 0.000 0.984 543 E CA 1.509 57.946 56.400 0.062 0.000 0.806 543 E CB -0.741 28.992 29.700 0.054 0.000 0.750 543 E HN 0.392 nan 8.360 nan 0.000 0.458 544 Y N -1.987 118.315 120.300 0.003 0.000 2.436 544 Y HA 0.018 4.568 4.550 -0.000 0.000 0.288 544 Y C 0.953 176.933 175.900 0.132 0.000 1.112 544 Y CA -0.503 57.609 58.100 0.020 0.000 1.220 544 Y CB 0.035 38.522 38.460 0.044 0.000 1.073 544 Y HN 0.099 nan 8.280 nan 0.000 0.552 545 W N 4.503 125.962 121.300 0.265 0.000 1.282 545 W HA 0.100 4.760 4.660 -0.000 0.000 0.527 545 W C -0.920 175.740 176.519 0.236 0.000 0.616 545 W CA 0.674 58.244 57.345 0.375 0.000 2.357 545 W CB -0.605 29.173 29.460 0.530 0.000 1.453 545 W HN 0.051 nan 8.180 nan 0.000 0.188 546 K N 1.013 121.293 120.400 -0.200 0.000 2.435 546 K HA 0.418 4.738 4.320 -0.000 0.000 0.251 546 K C 0.664 176.801 176.600 -0.773 0.000 0.954 546 K CA -0.410 55.668 56.287 -0.347 0.000 0.820 546 K CB 1.811 34.221 32.500 -0.150 0.000 1.292 546 K HN -0.011 nan 8.250 nan 0.000 0.436 547 A N 0.937 123.363 122.820 -0.655 0.000 1.940 547 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 547 A C 1.958 179.419 177.584 -0.206 0.000 1.176 547 A CA 2.352 54.102 52.037 -0.478 0.000 0.631 547 A CB -0.803 18.196 19.000 -0.002 0.000 0.814 547 A HN 0.789 nan 8.150 nan 0.000 0.446 548 S N -0.946 114.654 115.700 -0.167 0.000 2.399 548 S HA -0.151 4.319 4.470 -0.000 0.000 0.231 548 S C 1.767 176.250 174.600 -0.196 0.000 1.022 548 S CA 1.841 59.980 58.200 -0.103 0.000 0.983 548 S CB -1.198 61.954 63.200 -0.080 0.000 0.803 548 S HN 0.490 nan 8.310 nan 0.000 0.480 549 T N 1.512 115.834 114.554 -0.386 0.000 2.833 549 T HA 0.036 4.386 4.350 -0.000 0.000 0.269 549 T C 0.504 174.785 174.700 -0.698 0.000 1.054 549 T CA 1.205 62.919 62.100 -0.644 0.000 1.135 549 T CB -0.478 67.814 68.868 -0.960 0.000 0.869 549 T HN 0.599 nan 8.240 nan 0.000 0.466 550 F N 0.365 120.211 119.950 -0.174 0.000 2.750 550 F HA 0.486 5.013 4.527 -0.000 0.000 0.297 550 F C 1.622 177.461 175.800 0.065 0.000 1.138 550 F CA -0.491 57.481 58.000 -0.047 0.000 1.346 550 F CB -0.143 38.826 39.000 -0.051 0.000 0.965 550 F HN 0.192 nan 8.300 nan 0.000 0.514 551 G N 0.032 108.964 108.800 0.220 0.000 2.162 551 G HA2 0.080 4.040 3.960 -0.000 0.000 0.260 551 G HA3 0.080 4.040 3.960 -0.000 0.000 0.260 551 G C 0.602 175.680 174.900 0.296 0.000 0.976 551 G CA 0.029 45.321 45.100 0.320 0.000 0.655 551 G HN 1.249 nan 8.290 nan 0.000 0.533 552 G N -1.364 107.553 108.800 0.195 0.000 2.384 552 G HA2 0.318 4.278 3.960 -0.000 0.000 0.668 552 G HA3 0.318 4.278 3.960 -0.000 0.000 0.668 552 G C 0.145 175.140 174.900 0.160 0.000 1.280 552 G CA 0.517 45.711 45.100 0.156 0.000 0.992 552 G HN 0.946 nan 8.290 nan 0.000 0.512 553 E N -0.839 119.441 120.200 0.134 0.000 2.097 553 E HA -0.106 4.244 4.350 -0.000 0.000 0.196 553 E C 2.652 179.325 176.600 0.123 0.000 1.000 553 E CA 2.446 58.934 56.400 0.148 0.000 0.804 553 E CB -0.191 29.561 29.700 0.087 0.000 0.740 553 E HN 1.246 nan 8.360 nan 0.000 0.454 554 V N -0.364 119.598 119.914 0.081 0.000 2.343 554 V HA -0.156 3.964 4.120 -0.000 0.000 0.247 554 V C 1.978 178.126 176.094 0.089 0.000 1.051 554 V CA 2.538 64.871 62.300 0.055 0.000 1.036 554 V CB -0.741 31.090 31.823 0.014 0.000 0.654 554 V HN 0.398 nan 8.190 nan 0.000 0.451 555 G N -1.401 107.483 108.800 0.141 0.000 2.408 555 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.217 555 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.217 555 G C 1.541 176.541 174.900 0.166 0.000 1.150 555 G CA 0.896 46.104 45.100 0.179 0.000 0.776 555 G HN 0.497 nan 8.290 nan 0.000 0.542 556 F N 2.510 122.435 119.950 -0.042 0.000 2.095 556 F HA -0.060 4.467 4.527 -0.000 0.000 0.298 556 F C 2.324 177.982 175.800 -0.237 0.000 1.104 556 F CA 1.033 58.872 58.000 -0.268 0.000 1.232 556 F CB -0.502 38.389 39.000 -0.181 0.000 0.987 556 F HN 0.094 nan 8.300 nan 0.000 0.475 557 N N 0.651 119.358 118.700 0.012 0.000 2.289 557 N HA -0.147 4.593 4.740 -0.000 0.000 0.184 557 N C 2.113 177.608 175.510 -0.025 0.000 1.016 557 N CA 0.896 53.905 53.050 -0.068 0.000 0.872 557 N CB -0.516 37.949 38.487 -0.036 0.000 0.973 557 N HN 0.337 nan 8.380 nan 0.000 0.433 558 L N 0.217 121.450 121.223 0.016 0.000 2.083 558 L HA -0.123 4.217 4.340 -0.000 0.000 0.209 558 L C 2.135 179.042 176.870 0.061 0.000 1.083 558 L CA 0.746 55.612 54.840 0.043 0.000 0.752 558 L CB -0.316 41.785 42.059 0.070 0.000 0.899 558 L HN -0.020 nan 8.230 nan 0.000 0.433 559 V N -0.348 119.582 119.914 0.026 0.000 2.302 559 V HA -0.211 3.909 4.120 -0.000 0.000 0.243 559 V C 2.291 178.474 176.094 0.149 0.000 1.036 559 V CA 1.516 63.876 62.300 0.099 0.000 1.020 559 V CB -0.421 31.394 31.823 -0.013 0.000 0.657 559 V HN 0.368 nan 8.190 nan 0.000 0.453 560 K N 0.497 120.900 120.400 0.004 0.000 2.360 560 K HA -0.119 4.201 4.320 -0.000 0.000 0.201 560 K C 1.487 178.107 176.600 0.033 0.000 1.046 560 K CA 1.731 58.011 56.287 -0.012 0.000 0.940 560 K CB -0.215 32.149 32.500 -0.227 0.000 0.748 560 K HN 0.698 nan 8.250 nan 0.000 0.465 561 T N -2.993 111.582 114.554 0.036 0.000 3.231 561 T HA 0.415 4.765 4.350 -0.000 0.000 0.292 561 T C 0.249 174.983 174.700 0.056 0.000 1.001 561 T CA -0.541 61.581 62.100 0.036 0.000 0.920 561 T CB 0.433 69.303 68.868 0.004 0.000 1.140 561 T HN 0.072 nan 8.240 nan 0.000 0.525 562 A N 1.056 123.935 122.820 0.099 0.000 2.520 562 A HA 0.565 4.885 4.320 -0.000 0.000 0.235 562 A C 0.386 178.017 177.584 0.078 0.000 1.065 562 A CA 0.155 52.254 52.037 0.104 0.000 0.764 562 A CB 0.049 19.153 19.000 0.175 0.000 1.002 562 A HN 0.450 nan 8.150 nan 0.000 0.502 563 T N 1.319 115.897 114.554 0.039 0.000 2.932 563 T HA 0.325 4.675 4.350 -0.000 0.000 0.318 563 T C 1.038 175.708 174.700 -0.049 0.000 1.265 563 T CA -0.574 61.524 62.100 -0.003 0.000 1.036 563 T CB 1.055 69.908 68.868 -0.025 0.000 1.209 563 T HN 0.592 nan 8.240 nan 0.000 0.484 564 L N 2.477 123.635 121.223 -0.109 0.000 2.012 564 L HA -0.061 4.279 4.340 -0.000 0.000 0.210 564 L C 2.577 179.342 176.870 -0.176 0.000 1.073 564 L CA 1.842 56.574 54.840 -0.180 0.000 0.748 564 L CB -0.250 41.532 42.059 -0.462 0.000 0.891 564 L HN 0.712 nan 8.230 nan 0.000 0.431 565 K N 0.150 120.444 120.400 -0.177 0.000 2.032 565 K HA -0.249 4.071 4.320 -0.000 0.000 0.209 565 K C 2.089 178.617 176.600 -0.120 0.000 1.048 565 K CA 1.782 57.977 56.287 -0.153 0.000 0.927 565 K CB 0.026 32.447 32.500 -0.132 0.000 0.712 565 K HN 0.267 nan 8.250 nan 0.000 0.441 566 K N 0.373 120.715 120.400 -0.097 0.000 2.103 566 K HA -0.121 4.199 4.320 -0.000 0.000 0.204 566 K C 2.037 178.572 176.600 -0.108 0.000 1.052 566 K CA 0.895 57.132 56.287 -0.082 0.000 0.945 566 K CB -0.146 32.322 32.500 -0.053 0.000 0.722 566 K HN 0.084 nan 8.250 nan 0.000 0.443 567 L N 0.862 122.003 121.223 -0.137 0.000 2.042 567 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 567 L C 1.870 178.602 176.870 -0.231 0.000 1.076 567 L CA 1.648 56.354 54.840 -0.223 0.000 0.749 567 L CB -0.267 41.613 42.059 -0.299 0.000 0.893 567 L HN -0.091 nan 8.230 nan 0.000 0.432 568 V N -1.475 118.325 119.914 -0.191 0.000 2.256 568 V HA -0.250 3.870 4.120 -0.000 0.000 0.240 568 V C 2.519 178.528 176.094 -0.142 0.000 1.036 568 V CA 1.693 63.885 62.300 -0.179 0.000 1.008 568 V CB -0.650 31.075 31.823 -0.163 0.000 0.648 568 V HN 0.582 nan 8.190 nan 0.000 0.453 569 c N -0.002 118.526 118.600 -0.119 0.000 2.410 569 c HA -0.082 4.488 4.570 -0.000 0.000 0.281 569 c C 2.311 176.350 174.090 -0.084 0.000 1.318 569 c CA 0.402 56.675 56.329 -0.093 0.000 1.776 569 c CB -1.199 41.263 42.510 -0.080 0.000 1.942 569 c HN 0.462 nan 8.230 nan 0.000 0.508 570 L N 1.223 122.393 121.223 -0.088 0.000 2.627 570 L HA 0.125 4.465 4.340 -0.000 0.000 0.233 570 L C 1.223 178.042 176.870 -0.085 0.000 1.144 570 L CA 1.378 56.173 54.840 -0.075 0.000 0.892 570 L CB -0.722 41.298 42.059 -0.065 0.000 1.039 570 L HN 0.394 nan 8.230 nan 0.000 0.442 571 N N -1.609 117.028 118.700 -0.104 0.000 2.184 571 N HA 0.136 4.876 4.740 -0.000 0.000 0.234 571 N C 0.006 175.441 175.510 -0.125 0.000 1.282 571 N CA 0.287 53.266 53.050 -0.118 0.000 0.877 571 N CB 1.231 39.635 38.487 -0.139 0.000 1.184 571 N HN 0.243 nan 8.380 nan 0.000 0.510 572 T N -2.408 112.082 114.554 -0.106 0.000 2.907 572 T HA 0.421 4.771 4.350 -0.000 0.000 0.292 572 T C 1.093 175.749 174.700 -0.073 0.000 1.043 572 T CA -0.645 61.396 62.100 -0.097 0.000 1.003 572 T CB 2.656 71.468 68.868 -0.093 0.000 1.084 572 T HN -0.348 nan 8.240 nan 0.000 0.483 573 K N 1.132 121.495 120.400 -0.062 0.000 2.057 573 K HA 0.026 4.346 4.320 -0.000 0.000 0.207 573 K C 1.404 177.982 176.600 -0.036 0.000 1.049 573 K CA 1.557 57.817 56.287 -0.044 0.000 0.931 573 K CB -0.596 31.884 32.500 -0.033 0.000 0.714 573 K HN 0.947 nan 8.250 nan 0.000 0.440 574 T N -3.266 111.267 114.554 -0.035 0.000 2.916 574 T HA 0.352 4.702 4.350 -0.000 0.000 0.292 574 T C -0.472 174.207 174.700 -0.034 0.000 1.064 574 T CA -1.041 61.043 62.100 -0.027 0.000 1.011 574 T CB 1.999 70.857 68.868 -0.015 0.000 1.152 574 T HN 0.105 nan 8.240 nan 0.000 0.510 575 c N 4.222 122.805 118.600 -0.028 0.000 2.251 575 c HA 0.734 5.304 4.570 -0.000 0.000 0.323 575 c C -1.838 172.243 174.090 -0.015 0.000 1.241 575 c CA -1.255 55.054 56.329 -0.033 0.000 1.601 575 c CB -0.346 42.143 42.510 -0.035 0.000 2.251 575 c HN 0.881 nan 8.230 nan 0.000 0.488 576 P HA 0.206 nan 4.420 nan 0.000 0.306 576 P C -1.382 175.945 177.300 0.045 0.000 1.309 576 P CA -0.485 62.628 63.100 0.021 0.000 0.759 576 P CB 0.507 32.209 31.700 0.004 0.000 1.314 577 Y N 0.607 120.895 120.300 -0.019 0.000 2.531 577 Y HA 0.357 4.907 4.550 -0.000 0.000 0.347 577 Y C -0.607 175.289 175.900 -0.006 0.000 1.024 577 Y CA -0.329 57.765 58.100 -0.011 0.000 1.306 577 Y CB -0.090 38.372 38.460 0.003 0.000 1.149 577 Y HN 0.103 nan 8.280 nan 0.000 0.527 578 V N 6.986 126.572 119.914 -0.546 0.000 2.483 578 V HA 0.789 4.909 4.120 -0.000 0.000 0.297 578 V C -1.077 174.661 176.094 -0.594 0.000 1.027 578 V CA 0.217 62.246 62.300 -0.452 0.000 0.855 578 V CB 1.282 32.955 31.823 -0.251 0.000 0.995 578 V HN 0.882 nan 8.190 nan 0.000 0.424 579 S N 4.557 119.954 115.700 -0.505 0.000 2.615 579 S HA 0.492 4.962 4.470 -0.000 0.000 0.268 579 S C -0.265 174.290 174.600 -0.074 0.000 1.146 579 S CA -0.398 57.570 58.200 -0.387 0.000 0.818 579 S CB 1.240 64.213 63.200 -0.378 0.000 1.111 579 S HN 0.600 nan 8.310 nan 0.000 0.465 580 F N 0.885 120.898 119.950 0.104 0.000 2.754 580 F HA 0.266 4.793 4.527 -0.000 0.000 0.297 580 F C 1.240 177.113 175.800 0.122 0.000 1.122 580 F CA -0.123 57.995 58.000 0.196 0.000 1.400 580 F CB 0.354 39.501 39.000 0.244 0.000 1.117 580 F HN 0.505 nan 8.300 nan 0.000 0.587 581 H N 0.699 119.891 119.070 0.204 0.000 2.458 581 H HA 0.283 4.839 4.556 -0.000 0.000 0.330 581 H C -0.436 175.022 175.328 0.216 0.000 1.111 581 H CA -0.335 55.795 56.048 0.137 0.000 1.245 581 H CB 1.877 31.696 29.762 0.095 0.000 1.456 581 H HN -0.183 nan 8.280 nan 0.000 0.488 582 V N 7.251 127.395 119.914 0.383 0.000 2.963 582 V HA 0.114 4.234 4.120 -0.000 0.000 0.306 582 V C -1.669 174.666 176.094 0.402 0.000 1.077 582 V CA -0.998 61.518 62.300 0.361 0.000 1.124 582 V CB 1.151 33.078 31.823 0.172 0.000 0.987 582 V HN 0.785 nan 8.190 nan 0.000 0.487 583 P HA 0.000 nan 4.420 nan 0.000 0.216 583 P CA 0.000 63.023 63.100 -0.128 0.000 0.800 583 P CB 0.000 31.289 31.700 -0.684 0.000 0.726