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 2dkh_1_A DATA FIRST_RESID 1 DATA SEQUENCE MQFHLNGFRP GNPLIAPASP LAPAHTEAVP SQVDVLIVGC GPAGLTLAAQ DATA SEQUENCE LAAFPDIRTC IVEQKEGPME LGQADGIACR TMEMFEAFEF ADSILKEACW DATA SEQUENCE INDVTFWKPD PGQPGRIARH GRVQDTEDGL SEFPHVILNQ ARVHDHYLER DATA SEQUENCE MRNSPSRLEP HYARRVLDVK VDHGAADYPV TVTLERCDAA HAGQIETVQA DATA SEQUENCE RYVVGCDGAR SNVRRAIGRQ LVGDSANQAW GVMDVLAVTD FPDVRYKVAI DATA SEQUENCE QSEQGNVLII PREGGHLVRF YVEMDXXXXX XXXXXXNITV EQLIATAQRV DATA SEQUENCE LHPYKLEVKN VPWWSVYEIG QRICAKYDDV VDAVATPDSP LPRVFIAGDA DATA SEQUENCE CHTHSPKAGQ GMNFSMQDSF NLGWKLAAVL RKQCAPELLH TYSSERQVVA DATA SEQUENCE QQLIDFDREW AKXXXXXXXX XXXXXXDPKE FQKYFEQHGR FTAGVGTHYA DATA SEQUENCE PSLLTGQAKH QALASGFTVG MRFHSAPVVR VCDAKPVQLG HCGKADGRWR DATA SEQUENCE LYAFAAQNDL AQPESGLLAL CRFLEGDAAS PLRRFTPAGQ DIDSIFDLRA DATA SEQUENCE VFPQAYTEVA LETLPALLLP PKGQLGMIDY EKVFSPDLKN AGQDIFELRG DATA SEQUENCE IDRQQGALVV VRPDQYVAQV LPLGDHAALS AYFESFMRA 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.403 176.300 0.172 0.000 1.140 1 M CA 0.000 55.415 55.300 0.192 0.000 0.988 1 M CB 0.000 32.749 32.600 0.248 0.000 1.302 2 Q N 2.300 122.187 119.800 0.145 0.000 2.342 2 Q HA 0.917 5.257 4.340 0.001 0.000 0.267 2 Q C -1.593 174.477 176.000 0.117 0.000 1.038 2 Q CA -0.679 55.117 55.803 -0.012 0.000 0.832 2 Q CB 2.653 31.389 28.738 -0.003 0.000 1.323 2 Q HN 0.662 nan 8.270 nan 0.000 0.448 3 F N -2.725 117.182 119.950 -0.071 0.000 2.831 3 F HA 0.445 4.972 4.527 0.001 0.000 0.318 3 F C -0.215 175.522 175.800 -0.105 0.000 1.174 3 F CA -1.148 56.763 58.000 -0.149 0.000 0.918 3 F CB 0.750 39.570 39.000 -0.299 0.000 1.364 3 F HN 0.606 nan 8.300 nan 0.000 0.475 4 H N -0.489 118.728 119.070 0.245 0.000 2.992 4 H HA -0.145 4.411 4.556 0.001 0.000 0.266 4 H C 0.974 176.352 175.328 0.084 0.000 1.200 4 H CA 0.617 56.748 56.048 0.139 0.000 1.135 4 H CB -1.617 28.239 29.762 0.157 0.000 1.282 4 H HN 0.754 nan 8.280 nan 0.000 0.351 5 L N 0.968 122.288 121.223 0.161 0.000 2.042 5 L HA -0.087 4.253 4.340 0.001 0.000 0.210 5 L C 1.573 178.500 176.870 0.095 0.000 1.076 5 L CA 2.157 57.059 54.840 0.102 0.000 0.749 5 L CB -0.092 42.010 42.059 0.072 0.000 0.893 5 L HN 0.227 nan 8.230 nan 0.000 0.432 6 N N -0.069 118.692 118.700 0.101 0.000 2.214 6 N HA 0.350 5.091 4.740 0.001 0.000 0.214 6 N C 0.272 175.836 175.510 0.090 0.000 1.132 6 N CA 0.774 53.873 53.050 0.080 0.000 0.856 6 N CB 0.934 39.459 38.487 0.064 0.000 1.020 6 N HN 0.438 nan 8.380 nan 0.000 0.509 7 G N 0.564 109.438 108.800 0.123 0.000 2.333 7 G HA2 0.007 3.968 3.960 0.001 0.000 0.330 7 G HA3 0.007 3.968 3.960 0.001 0.000 0.330 7 G C -1.567 173.433 174.900 0.165 0.000 1.465 7 G CA -1.150 44.027 45.100 0.129 0.000 0.996 7 G HN 0.057 nan 8.290 nan 0.000 0.655 8 F N 1.234 121.176 119.950 -0.014 0.000 2.538 8 F HA 0.668 5.195 4.527 0.001 0.000 0.371 8 F C 0.820 176.656 175.800 0.060 0.000 1.087 8 F CA -0.045 57.874 58.000 -0.135 0.000 1.250 8 F CB 0.686 39.557 39.000 -0.215 0.000 1.110 8 F HN 0.532 nan 8.300 nan 0.000 0.570 9 R N 8.468 128.574 120.500 -0.658 0.000 2.435 9 R HA 0.438 4.778 4.340 0.001 0.000 0.308 9 R C -2.690 173.180 176.300 -0.717 0.000 0.975 9 R CA -2.079 53.767 56.100 -0.422 0.000 0.867 9 R CB 1.294 31.546 30.300 -0.080 0.000 1.171 9 R HN 0.428 nan 8.270 nan 0.000 0.470 10 P HA 0.316 nan 4.420 nan 0.000 0.274 10 P C -0.007 177.221 177.300 -0.119 0.000 1.256 10 P CA 0.373 63.327 63.100 -0.245 0.000 0.795 10 P CB 1.013 32.758 31.700 0.074 0.000 1.038 11 G N 0.708 109.486 108.800 -0.038 0.000 2.681 11 G HA2 -0.216 3.744 3.960 0.001 0.000 0.220 11 G HA3 -0.216 3.744 3.960 0.001 0.000 0.220 11 G C -0.356 174.477 174.900 -0.112 0.000 1.353 11 G CA -0.469 44.600 45.100 -0.052 0.000 0.872 11 G HN 0.833 nan 8.290 nan 0.000 0.557 12 N N 1.910 120.543 118.700 -0.112 0.000 2.438 12 N HA 0.254 4.994 4.740 0.001 0.000 0.267 12 N C -0.200 175.167 175.510 -0.239 0.000 1.222 12 N CA -1.194 51.761 53.050 -0.157 0.000 0.930 12 N CB 1.147 39.572 38.487 -0.103 0.000 1.083 12 N HN 0.286 nan 8.380 nan 0.000 0.476 13 P HA -0.095 nan 4.420 nan 0.000 0.228 13 P C 1.222 178.343 177.300 -0.298 0.000 1.151 13 P CA 0.781 63.557 63.100 -0.540 0.000 0.770 13 P CB 0.393 31.293 31.700 -1.334 0.000 0.786 14 L N -0.872 120.229 121.223 -0.204 0.000 2.552 14 L HA 0.068 4.408 4.340 0.001 0.000 0.227 14 L C 1.346 178.176 176.870 -0.066 0.000 1.146 14 L CA 0.289 55.072 54.840 -0.095 0.000 0.858 14 L CB -0.363 41.666 42.059 -0.050 0.000 0.969 14 L HN -0.115 nan 8.230 nan 0.000 0.451 15 I N 0.787 121.304 120.570 -0.089 0.000 2.291 15 I HA 0.214 4.384 4.170 0.001 0.000 0.290 15 I C 0.669 176.751 176.117 -0.058 0.000 1.050 15 I CA -0.417 60.845 61.300 -0.063 0.000 1.245 15 I CB 0.882 38.843 38.000 -0.064 0.000 1.405 15 I HN -0.041 nan 8.210 nan 0.000 0.478 16 A N 8.612 131.411 122.820 -0.035 0.000 2.332 16 A HA 0.566 4.886 4.320 0.001 0.000 0.258 16 A C -2.369 175.205 177.584 -0.017 0.000 1.087 16 A CA -1.156 50.868 52.037 -0.023 0.000 0.802 16 A CB -0.200 18.796 19.000 -0.007 0.000 1.042 16 A HN 0.414 nan 8.150 nan 0.000 0.489 17 P HA 0.328 nan 4.420 nan 0.000 0.271 17 P C -0.419 176.884 177.300 0.005 0.000 1.216 17 P CA 0.125 63.223 63.100 -0.003 0.000 0.776 17 P CB 0.775 32.479 31.700 0.006 0.000 0.881 18 A N 2.639 125.462 122.820 0.005 0.000 2.488 18 A HA 0.274 4.595 4.320 0.001 0.000 0.249 18 A C 0.700 178.295 177.584 0.018 0.000 1.083 18 A CA 0.191 52.235 52.037 0.011 0.000 0.768 18 A CB -0.386 18.620 19.000 0.010 0.000 1.017 18 A HN 0.468 nan 8.150 nan 0.000 0.496 19 S N 3.286 119.000 115.700 0.024 0.000 2.545 19 S HA 0.418 4.889 4.470 0.001 0.000 0.275 19 S C -0.993 173.626 174.600 0.031 0.000 1.299 19 S CA -1.146 57.072 58.200 0.030 0.000 1.048 19 S CB 0.648 63.871 63.200 0.039 0.000 0.938 19 S HN 0.600 nan 8.310 nan 0.000 0.496 20 P HA 0.022 nan 4.420 nan 0.000 0.233 20 P C 1.128 178.447 177.300 0.031 0.000 1.167 20 P CA 0.569 63.686 63.100 0.028 0.000 0.770 20 P CB 0.073 31.788 31.700 0.025 0.000 0.837 21 L N -0.875 120.371 121.223 0.037 0.000 2.395 21 L HA 0.101 4.442 4.340 0.001 0.000 0.218 21 L C 1.314 178.212 176.870 0.046 0.000 1.130 21 L CA 0.162 55.028 54.840 0.043 0.000 0.826 21 L CB -0.442 41.647 42.059 0.050 0.000 0.941 21 L HN -0.096 nan 8.230 nan 0.000 0.451 22 A N 1.593 124.440 122.820 0.045 0.000 2.253 22 A HA 0.514 4.834 4.320 0.001 0.000 0.316 22 A C -2.124 175.485 177.584 0.042 0.000 1.327 22 A CA -1.372 50.694 52.037 0.048 0.000 0.917 22 A CB -0.166 18.864 19.000 0.050 0.000 1.162 22 A HN -0.071 nan 8.150 nan 0.000 0.535 23 P HA 0.263 nan 4.420 nan 0.000 0.269 23 P C 0.211 177.536 177.300 0.042 0.000 1.215 23 P CA 0.029 63.149 63.100 0.033 0.000 0.780 23 P CB 0.758 32.472 31.700 0.023 0.000 0.898 24 A N 1.983 124.827 122.820 0.039 0.000 2.466 24 A HA 0.033 4.353 4.320 0.001 0.000 0.238 24 A C 0.419 178.048 177.584 0.075 0.000 1.074 24 A CA -0.028 52.043 52.037 0.056 0.000 0.774 24 A CB -0.690 18.336 19.000 0.044 0.000 1.015 24 A HN 0.754 nan 8.150 nan 0.000 0.498 25 H N 0.690 119.759 119.070 -0.002 0.000 2.964 25 H HA 0.349 4.906 4.556 0.000 0.000 0.328 25 H C 0.743 176.074 175.328 0.006 0.000 1.030 25 H CA 1.356 57.397 56.048 -0.011 0.000 1.445 25 H CB 0.454 30.170 29.762 -0.076 0.000 1.449 25 H HN 0.757 nan 8.280 nan 0.000 0.581 26 T N 1.635 115.976 114.554 -0.356 0.000 2.918 26 T HA 0.130 4.480 4.350 0.001 0.000 0.286 26 T C 1.075 175.661 174.700 -0.191 0.000 1.026 26 T CA -1.017 60.981 62.100 -0.170 0.000 1.031 26 T CB 1.782 70.599 68.868 -0.086 0.000 1.046 26 T HN 0.716 nan 8.240 nan 0.000 0.479 27 E N 1.112 121.285 120.200 -0.045 0.000 2.085 27 E HA -0.060 4.290 4.350 0.001 0.000 0.194 27 E C 0.922 177.532 176.600 0.016 0.000 0.994 27 E CA 1.025 57.427 56.400 0.004 0.000 0.801 27 E CB -0.435 29.278 29.700 0.021 0.000 0.743 27 E HN 0.875 nan 8.360 nan 0.000 0.453 28 A N 0.731 123.540 122.820 -0.019 0.000 2.293 28 A HA 0.421 4.742 4.320 0.001 0.000 0.302 28 A C -0.149 177.355 177.584 -0.135 0.000 1.119 28 A CA -0.469 51.532 52.037 -0.059 0.000 0.823 28 A CB 1.165 20.125 19.000 -0.068 0.000 1.097 28 A HN -0.004 nan 8.150 nan 0.000 0.491 29 V N 4.026 123.775 119.914 -0.276 0.000 2.637 29 V HA 0.178 4.298 4.120 0.001 0.000 0.296 29 V C -1.523 174.388 176.094 -0.306 0.000 1.046 29 V CA -0.800 61.173 62.300 -0.544 0.000 1.066 29 V CB 0.543 32.096 31.823 -0.449 0.000 0.968 29 V HN 0.895 nan 8.190 nan 0.000 0.483 30 P HA 0.039 nan 4.420 nan 0.000 0.269 30 P C 0.758 177.960 177.300 -0.164 0.000 1.217 30 P CA 0.049 63.045 63.100 -0.173 0.000 0.783 30 P CB 0.602 32.222 31.700 -0.134 0.000 0.898 31 S N 0.580 116.191 115.700 -0.148 0.000 2.436 31 S HA -0.062 4.408 4.470 0.001 0.000 0.228 31 S C 0.639 175.118 174.600 -0.202 0.000 1.014 31 S CA 0.450 58.556 58.200 -0.155 0.000 0.950 31 S CB -0.225 62.890 63.200 -0.141 0.000 0.784 31 S HN 0.609 nan 8.310 nan 0.000 0.504 32 Q N 0.384 120.039 119.800 -0.241 0.000 2.345 32 Q HA 0.674 5.015 4.340 0.001 0.000 0.275 32 Q C -1.431 174.456 176.000 -0.188 0.000 1.063 32 Q CA -0.850 54.732 55.803 -0.367 0.000 0.819 32 Q CB 2.807 31.061 28.738 -0.807 0.000 1.356 32 Q HN 0.324 nan 8.270 nan 0.000 0.418 33 V N -2.058 117.843 119.914 -0.022 0.000 3.188 33 V HA 0.461 4.582 4.120 0.001 0.000 0.305 33 V C -0.430 175.822 176.094 0.262 0.000 1.232 33 V CA -0.745 61.620 62.300 0.108 0.000 1.043 33 V CB 2.183 34.032 31.823 0.044 0.000 1.068 33 V HN 0.673 nan 8.190 nan 0.000 0.439 34 D N 0.595 121.118 120.400 0.206 0.000 2.120 34 D HA 0.131 4.772 4.640 0.001 0.000 0.202 34 D C 0.478 176.885 176.300 0.178 0.000 0.972 34 D CA 1.687 55.793 54.000 0.177 0.000 0.837 34 D CB 0.493 41.379 40.800 0.144 0.000 0.989 34 D HN 0.442 nan 8.370 nan 0.000 0.469 35 V N 1.467 121.468 119.914 0.146 0.000 2.577 35 V HA 0.308 4.428 4.120 0.001 0.000 0.303 35 V C -0.775 175.369 176.094 0.084 0.000 1.042 35 V CA -0.921 61.460 62.300 0.135 0.000 0.872 35 V CB 2.546 34.431 31.823 0.104 0.000 0.998 35 V HN -0.061 nan 8.190 nan 0.000 0.423 36 L N 6.500 127.768 121.223 0.076 0.000 2.305 36 L HA 0.674 5.015 4.340 0.001 0.000 0.284 36 L C -0.661 176.228 176.870 0.032 0.000 1.013 36 L CA 0.180 55.041 54.840 0.035 0.000 0.819 36 L CB 1.065 43.135 42.059 0.019 0.000 1.227 36 L HN 0.560 nan 8.230 nan 0.000 0.417 37 I N 5.679 126.254 120.570 0.009 0.000 2.354 37 I HA 0.376 4.547 4.170 0.001 0.000 0.292 37 I C -0.678 175.430 176.117 -0.015 0.000 0.989 37 I CA -0.901 60.396 61.300 -0.006 0.000 1.188 37 I CB 1.814 39.796 38.000 -0.029 0.000 1.342 37 I HN 0.250 nan 8.210 nan 0.000 0.457 38 V N 5.302 125.211 119.914 -0.009 0.000 2.328 38 V HA 0.786 4.906 4.120 0.001 0.000 0.278 38 V C 0.375 176.460 176.094 -0.014 0.000 1.021 38 V CA -0.459 61.835 62.300 -0.009 0.000 0.838 38 V CB 0.667 32.491 31.823 0.002 0.000 0.999 38 V HN 1.070 nan 8.190 nan 0.000 0.447 39 G N 3.305 112.093 108.800 -0.020 0.000 3.233 39 G HA2 -0.116 3.845 3.960 0.001 0.000 0.686 39 G HA3 -0.116 3.845 3.960 0.001 0.000 0.686 39 G C -0.468 174.402 174.900 -0.051 0.000 1.153 39 G CA -0.551 44.538 45.100 -0.018 0.000 0.853 39 G HN 0.765 nan 8.290 nan 0.000 0.582 40 C N 3.452 122.727 119.300 -0.042 0.000 2.339 40 C HA 0.646 5.106 4.460 0.001 0.000 0.361 40 C C 1.726 176.617 174.990 -0.166 0.000 1.378 40 C CA 0.191 59.150 59.018 -0.098 0.000 1.763 40 C CB -1.269 26.450 27.740 -0.035 0.000 2.632 40 C HN 1.101 nan 8.230 nan 0.000 0.576 41 G N 1.504 110.228 108.800 -0.127 0.000 2.532 41 G HA2 0.375 4.336 3.960 0.001 0.000 0.291 41 G HA3 0.375 4.336 3.960 0.001 0.000 0.291 41 G C -1.587 173.187 174.900 -0.210 0.000 1.349 41 G CA -0.567 44.473 45.100 -0.100 0.000 1.038 41 G HN 0.078 nan 8.290 nan 0.000 0.518 42 P HA -0.111 nan 4.420 nan 0.000 0.216 42 P C 2.075 179.372 177.300 -0.005 0.000 1.153 42 P CA 2.339 65.484 63.100 0.076 0.000 0.858 42 P CB 0.133 31.963 31.700 0.215 0.000 0.789 43 A N -0.354 122.465 122.820 -0.002 0.000 1.873 43 A HA -0.066 4.255 4.320 0.001 0.000 0.215 43 A C 2.497 180.028 177.584 -0.089 0.000 1.186 43 A CA 2.073 54.101 52.037 -0.016 0.000 0.616 43 A CB -1.860 17.146 19.000 0.011 0.000 0.823 43 A HN 0.274 nan 8.150 nan 0.000 0.442 44 G N -0.359 108.376 108.800 -0.108 0.000 2.402 44 G HA2 -0.116 3.844 3.960 0.001 0.000 0.216 44 G HA3 -0.116 3.844 3.960 0.001 0.000 0.216 44 G C 1.528 176.298 174.900 -0.217 0.000 1.162 44 G CA 0.971 45.992 45.100 -0.133 0.000 0.777 44 G HN 0.418 nan 8.290 nan 0.000 0.539 45 L N 0.437 121.475 121.223 -0.308 0.000 2.156 45 L HA -0.031 4.310 4.340 0.001 0.000 0.208 45 L C 3.095 179.454 176.870 -0.852 0.000 1.095 45 L CA 1.175 55.744 54.840 -0.452 0.000 0.770 45 L CB -0.558 41.273 42.059 -0.380 0.000 0.914 45 L HN 0.164 nan 8.230 nan 0.000 0.439 46 T N 0.313 114.357 114.554 -0.850 0.000 2.737 46 T HA -0.173 4.177 4.350 0.001 0.000 0.265 46 T C 1.827 176.314 174.700 -0.356 0.000 1.038 46 T CA 1.207 62.767 62.100 -0.899 0.000 1.144 46 T CB -0.184 68.506 68.868 -0.297 0.000 0.866 46 T HN 0.106 nan 8.240 nan 0.000 0.434 47 L N 1.477 122.586 121.223 -0.189 0.000 2.046 47 L HA 0.118 4.459 4.340 0.001 0.000 0.208 47 L C 2.585 179.415 176.870 -0.068 0.000 1.077 47 L CA 1.852 56.654 54.840 -0.062 0.000 0.747 47 L CB -1.093 40.920 42.059 -0.076 0.000 0.896 47 L HN 0.217 nan 8.230 nan 0.000 0.432 48 A N -0.506 122.228 122.820 -0.143 0.000 1.902 48 A HA -0.096 4.224 4.320 0.001 0.000 0.217 48 A C 2.450 179.979 177.584 -0.091 0.000 1.181 48 A CA 1.792 53.765 52.037 -0.107 0.000 0.623 48 A CB -1.169 17.750 19.000 -0.135 0.000 0.818 48 A HN 0.566 nan 8.150 nan 0.000 0.443 49 A N -0.847 121.866 122.820 -0.180 0.000 1.933 49 A HA -0.189 4.132 4.320 0.001 0.000 0.218 49 A C 2.156 179.838 177.584 0.164 0.000 1.175 49 A CA 2.151 54.139 52.037 -0.081 0.000 0.628 49 A CB -0.487 18.306 19.000 -0.345 0.000 0.814 49 A HN 0.574 nan 8.150 nan 0.000 0.444 50 Q N 0.113 120.059 119.800 0.244 0.000 2.046 50 Q HA -0.030 4.311 4.340 0.001 0.000 0.200 50 Q C 1.773 177.763 176.000 -0.017 0.000 0.975 50 Q CA 1.777 57.763 55.803 0.305 0.000 0.836 50 Q CB -0.517 28.466 28.738 0.409 0.000 0.896 50 Q HN 0.616 nan 8.270 nan 0.000 0.428 51 L N 0.029 121.277 121.223 0.041 0.000 2.275 51 L HA 0.010 4.350 4.340 0.001 0.000 0.215 51 L C 2.236 179.064 176.870 -0.070 0.000 1.119 51 L CA 0.626 55.505 54.840 0.065 0.000 0.790 51 L CB -0.626 41.505 42.059 0.121 0.000 0.919 51 L HN 0.296 nan 8.230 nan 0.000 0.443 52 A N 0.251 123.018 122.820 -0.089 0.000 2.125 52 A HA -0.067 4.253 4.320 0.001 0.000 0.219 52 A C 2.441 179.930 177.584 -0.159 0.000 1.156 52 A CA 1.383 53.375 52.037 -0.074 0.000 0.671 52 A CB -0.405 18.574 19.000 -0.036 0.000 0.794 52 A HN 0.382 nan 8.150 nan 0.000 0.459 53 A N -1.162 121.416 122.820 -0.404 0.000 2.168 53 A HA 0.297 4.618 4.320 0.001 0.000 0.215 53 A C 0.160 177.474 177.584 -0.449 0.000 1.152 53 A CA 0.324 52.056 52.037 -0.509 0.000 0.716 53 A CB -0.347 18.208 19.000 -0.742 0.000 0.794 53 A HN 0.374 nan 8.150 nan 0.000 0.465 54 F N 0.073 120.056 119.950 0.056 0.000 2.310 54 F HA 0.336 4.863 4.527 0.000 0.000 0.365 54 F C -1.641 174.183 175.800 0.041 0.000 1.080 54 F CA -3.121 54.905 58.000 0.043 0.000 1.187 54 F CB 0.914 39.937 39.000 0.039 0.000 1.465 54 F HN 0.029 nan 8.300 nan 0.000 0.496 55 P HA -0.170 nan 4.420 nan 0.000 0.225 55 P C 0.781 178.146 177.300 0.109 0.000 1.148 55 P CA 1.329 64.494 63.100 0.107 0.000 0.779 55 P CB 0.238 31.984 31.700 0.076 0.000 0.780 56 D N -0.390 120.086 120.400 0.126 0.000 2.347 56 D HA -0.039 4.601 4.640 0.001 0.000 0.215 56 D C 0.869 177.228 176.300 0.099 0.000 0.976 56 D CA 0.237 54.294 54.000 0.096 0.000 0.884 56 D CB -0.321 40.526 40.800 0.078 0.000 0.915 56 D HN 0.265 nan 8.370 nan 0.000 0.526 57 I N 1.571 122.220 120.570 0.132 0.000 2.336 57 I HA 0.183 4.353 4.170 0.001 0.000 0.292 57 I C 0.291 176.479 176.117 0.118 0.000 0.991 57 I CA -0.833 60.543 61.300 0.127 0.000 1.227 57 I CB 1.367 39.464 38.000 0.162 0.000 1.366 57 I HN -0.377 nan 8.210 nan 0.000 0.466 58 R N 4.845 125.409 120.500 0.108 0.000 2.248 58 R HA 0.321 4.662 4.340 0.001 0.000 0.337 58 R C -0.625 175.731 176.300 0.094 0.000 1.106 58 R CA -0.203 55.955 56.100 0.095 0.000 0.959 58 R CB 0.448 30.804 30.300 0.093 0.000 1.075 58 R HN 0.503 nan 8.270 nan 0.000 0.480 59 T N 1.978 116.582 114.554 0.084 0.000 2.823 59 T HA 0.279 4.629 4.350 0.001 0.000 0.279 59 T C -0.516 174.223 174.700 0.065 0.000 0.998 59 T CA -0.394 61.749 62.100 0.072 0.000 0.994 59 T CB 1.548 70.456 68.868 0.066 0.000 0.960 59 T HN 0.590 nan 8.240 nan 0.000 0.448 60 C N 4.920 124.249 119.300 0.049 0.000 2.482 60 C HA 0.811 5.272 4.460 0.001 0.000 0.317 60 C C -0.643 174.365 174.990 0.030 0.000 1.197 60 C CA -0.876 58.174 59.018 0.052 0.000 1.432 60 C CB -0.711 27.014 27.740 -0.026 0.000 2.062 60 C HN 1.010 nan 8.230 nan 0.000 0.471 61 I N 7.451 128.048 120.570 0.045 0.000 2.436 61 I HA 0.704 4.874 4.170 0.001 0.000 0.289 61 I C -0.373 175.729 176.117 -0.026 0.000 1.010 61 I CA -0.353 60.937 61.300 -0.017 0.000 1.098 61 I CB 1.611 39.572 38.000 -0.065 0.000 1.266 61 I HN 0.724 nan 8.210 nan 0.000 0.434 62 V N 3.365 123.257 119.914 -0.037 0.000 2.850 62 V HA 0.815 4.935 4.120 0.001 0.000 0.315 62 V C -0.792 175.275 176.094 -0.046 0.000 1.064 62 V CA -0.395 61.883 62.300 -0.036 0.000 0.979 62 V CB 1.705 33.515 31.823 -0.023 0.000 1.039 62 V HN 0.833 nan 8.190 nan 0.000 0.452 63 E N 1.487 121.675 120.200 -0.021 0.000 2.335 63 E HA 0.320 4.670 4.350 0.001 0.000 0.280 63 E C 0.346 177.010 176.600 0.106 0.000 0.918 63 E CA -0.118 56.309 56.400 0.045 0.000 0.765 63 E CB 2.208 31.956 29.700 0.079 0.000 1.218 63 E HN 0.842 nan 8.360 nan 0.000 0.425 64 Q N 2.770 122.624 119.800 0.090 0.000 2.172 64 Q HA 0.084 4.424 4.340 0.001 0.000 0.200 64 Q C -0.071 175.991 176.000 0.105 0.000 0.964 64 Q CA 0.594 56.447 55.803 0.084 0.000 0.855 64 Q CB -0.056 28.717 28.738 0.058 0.000 0.918 64 Q HN 0.283 nan 8.270 nan 0.000 0.444 65 K N 1.214 121.688 120.400 0.122 0.000 2.380 65 K HA -0.001 4.319 4.320 0.001 0.000 0.267 65 K C 0.425 177.091 176.600 0.111 0.000 0.990 65 K CA 0.243 56.586 56.287 0.094 0.000 0.946 65 K CB 0.506 33.055 32.500 0.082 0.000 0.937 65 K HN 0.223 nan 8.250 nan 0.000 0.491 66 E N 0.290 120.491 120.200 0.001 0.000 2.489 66 E HA 0.050 4.401 4.350 0.001 0.000 0.193 66 E C 0.562 176.958 176.600 -0.341 0.000 1.057 66 E CA -0.191 56.180 56.400 -0.049 0.000 0.866 66 E CB 0.511 30.194 29.700 -0.029 0.000 0.916 66 E HN 0.703 nan 8.360 nan 0.000 0.500 67 G N 1.722 110.161 108.800 -0.602 0.000 2.430 67 G HA2 0.203 4.163 3.960 0.001 0.000 0.300 67 G HA3 0.203 4.163 3.960 0.001 0.000 0.300 67 G C -2.984 171.486 174.900 -0.717 0.000 1.330 67 G CA -1.032 43.414 45.100 -1.090 0.000 0.813 67 G HN -0.206 nan 8.290 nan 0.000 0.487 68 P HA 0.317 nan 4.420 nan 0.000 0.271 68 P C 0.151 177.395 177.300 -0.093 0.000 1.218 68 P CA -0.084 62.946 63.100 -0.117 0.000 0.780 68 P CB 0.812 32.479 31.700 -0.054 0.000 0.901 69 M N 0.312 119.899 119.600 -0.021 0.000 2.228 69 M HA 0.292 4.772 4.480 0.001 0.000 0.326 69 M C 0.595 176.822 176.300 -0.120 0.000 1.122 69 M CA 0.411 55.663 55.300 -0.080 0.000 1.161 69 M CB 0.947 33.489 32.600 -0.097 0.000 1.437 69 M HN 0.290 nan 8.290 nan 0.000 0.465 70 E N 0.817 120.938 120.200 -0.131 0.000 2.399 70 E HA 0.349 4.699 4.350 0.001 0.000 0.205 70 E C -0.446 176.056 176.600 -0.162 0.000 0.906 70 E CA 0.129 56.451 56.400 -0.129 0.000 0.998 70 E CB 1.080 30.723 29.700 -0.094 0.000 1.002 70 E HN 0.679 nan 8.360 nan 0.000 0.501 71 L N 0.946 122.044 121.223 -0.207 0.000 2.476 71 L HA 0.523 4.863 4.340 0.001 0.000 0.269 71 L C -0.545 176.059 176.870 -0.443 0.000 0.965 71 L CA -0.672 53.995 54.840 -0.289 0.000 0.845 71 L CB 1.633 43.550 42.059 -0.238 0.000 1.259 71 L HN -0.007 nan 8.230 nan 0.000 0.403 72 G N 1.940 110.452 108.800 -0.480 0.000 2.491 72 G HA2 0.401 4.361 3.960 0.001 0.000 0.327 72 G HA3 0.401 4.361 3.960 0.001 0.000 0.327 72 G C -0.092 174.365 174.900 -0.738 0.000 1.189 72 G CA -0.251 44.534 45.100 -0.525 0.000 0.956 72 G HN 0.683 nan 8.290 nan 0.000 0.491 73 Q N -0.431 119.021 119.800 -0.579 0.000 2.212 73 Q HA 0.293 4.633 4.340 0.001 0.000 0.199 73 Q C 1.387 177.202 176.000 -0.307 0.000 0.950 73 Q CA 1.004 56.472 55.803 -0.559 0.000 0.863 73 Q CB 0.141 28.757 28.738 -0.203 0.000 0.944 73 Q HN 0.613 nan 8.270 nan 0.000 0.465 74 A N 0.976 123.675 122.820 -0.202 0.000 2.282 74 A HA 0.456 4.776 4.320 0.001 0.000 0.319 74 A C -0.328 177.216 177.584 -0.067 0.000 1.121 74 A CA -0.146 51.837 52.037 -0.089 0.000 0.836 74 A CB 0.524 19.511 19.000 -0.022 0.000 1.146 74 A HN 0.305 nan 8.150 nan 0.000 0.494 75 D N -0.541 119.863 120.400 0.007 0.000 2.368 75 D HA 0.121 4.762 4.640 0.001 0.000 0.305 75 D C 0.614 176.958 176.300 0.073 0.000 1.143 75 D CA 0.578 54.592 54.000 0.024 0.000 0.847 75 D CB -0.666 40.144 40.800 0.017 0.000 1.357 75 D HN 0.709 nan 8.370 nan 0.000 0.526 76 G N 1.052 109.911 108.800 0.098 0.000 2.355 76 G HA2 0.530 4.490 3.960 0.001 0.000 0.276 76 G HA3 0.530 4.490 3.960 0.001 0.000 0.276 76 G C -0.301 174.672 174.900 0.122 0.000 1.198 76 G CA -0.443 44.745 45.100 0.147 0.000 0.876 76 G HN 0.247 nan 8.290 nan 0.000 0.478 77 I N 2.598 123.259 120.570 0.152 0.000 2.390 77 I HA 0.355 4.526 4.170 0.001 0.000 0.283 77 I C 0.781 176.916 176.117 0.030 0.000 1.016 77 I CA -0.668 60.672 61.300 0.066 0.000 1.151 77 I CB 1.593 39.648 38.000 0.091 0.000 1.293 77 I HN 0.552 nan 8.210 nan 0.000 0.458 78 A N 4.498 127.250 122.820 -0.113 0.000 2.366 78 A HA 0.169 4.489 4.320 0.001 0.000 0.249 78 A C 1.284 178.760 177.584 -0.179 0.000 1.084 78 A CA -0.377 51.538 52.037 -0.204 0.000 0.794 78 A CB 0.381 19.261 19.000 -0.201 0.000 1.034 78 A HN 0.952 nan 8.150 nan 0.000 0.491 79 C N 0.399 119.609 119.300 -0.149 0.000 2.393 79 C HA -0.126 4.335 4.460 0.001 0.000 0.276 79 C C 2.809 177.732 174.990 -0.112 0.000 1.215 79 C CA 1.335 60.300 59.018 -0.088 0.000 1.743 79 C CB -1.167 26.538 27.740 -0.058 0.000 2.044 79 C HN 0.937 nan 8.230 nan 0.000 0.464 80 R N 0.628 121.057 120.500 -0.118 0.000 2.152 80 R HA -0.111 4.229 4.340 0.001 0.000 0.232 80 R C 1.959 178.136 176.300 -0.205 0.000 1.117 80 R CA 1.776 57.812 56.100 -0.106 0.000 0.981 80 R CB -0.800 29.472 30.300 -0.046 0.000 0.870 80 R HN 0.541 nan 8.270 nan 0.000 0.451 81 T N 1.151 115.526 114.554 -0.297 0.000 2.777 81 T HA -0.084 4.267 4.350 0.001 0.000 0.266 81 T C 1.861 176.035 174.700 -0.878 0.000 1.040 81 T CA 1.060 62.825 62.100 -0.558 0.000 1.141 81 T CB -0.035 68.505 68.868 -0.547 0.000 0.868 81 T HN 0.103 nan 8.240 nan 0.000 0.444 82 M N 1.320 120.517 119.600 -0.671 0.000 2.149 82 M HA -0.055 4.425 4.480 0.001 0.000 0.261 82 M C 2.107 177.882 176.300 -0.875 0.000 1.064 82 M CA 1.411 56.243 55.300 -0.779 0.000 1.102 82 M CB -1.041 31.134 32.600 -0.709 0.000 1.369 82 M HN 0.395 nan 8.290 nan 0.000 0.408 83 E N -0.359 119.549 120.200 -0.487 0.000 2.110 83 E HA -0.198 4.152 4.350 0.001 0.000 0.193 83 E C 2.006 178.449 176.600 -0.261 0.000 0.988 83 E CA 1.163 57.437 56.400 -0.210 0.000 0.804 83 E CB -0.201 29.518 29.700 0.032 0.000 0.745 83 E HN 0.475 nan 8.360 nan 0.000 0.458 84 M N 0.048 119.437 119.600 -0.351 0.000 2.200 84 M HA -0.110 4.370 4.480 0.001 0.000 0.265 84 M C 1.373 177.527 176.300 -0.242 0.000 1.066 84 M CA 1.243 56.314 55.300 -0.382 0.000 1.127 84 M CB 0.108 32.402 32.600 -0.511 0.000 1.379 84 M HN 0.018 nan 8.290 nan 0.000 0.420 85 F N 1.131 120.782 119.950 -0.499 0.000 2.216 85 F HA -0.164 4.363 4.527 0.000 0.000 0.300 85 F C 2.435 177.780 175.800 -0.758 0.000 1.085 85 F CA 1.599 59.091 58.000 -0.846 0.000 1.326 85 F CB -1.349 37.101 39.000 -0.916 0.000 1.027 85 F HN 0.311 nan 8.300 nan 0.000 0.497 86 E N 0.664 120.617 120.200 -0.413 0.000 2.106 86 E HA -0.122 4.228 4.350 0.001 0.000 0.192 86 E C 2.149 178.602 176.600 -0.244 0.000 0.984 86 E CA 1.298 57.493 56.400 -0.341 0.000 0.806 86 E CB -0.400 29.080 29.700 -0.366 0.000 0.750 86 E HN 0.180 nan 8.360 nan 0.000 0.458 87 A N -0.622 122.058 122.820 -0.234 0.000 2.015 87 A HA -0.060 4.260 4.320 0.001 0.000 0.219 87 A C 1.656 179.063 177.584 -0.295 0.000 1.163 87 A CA 0.991 52.894 52.037 -0.223 0.000 0.646 87 A CB -0.643 18.226 19.000 -0.219 0.000 0.806 87 A HN 0.364 nan 8.150 nan 0.000 0.448 88 F N -0.273 119.553 119.950 -0.206 0.000 2.693 88 F HA 0.178 4.705 4.527 0.001 0.000 0.303 88 F C 0.471 176.214 175.800 -0.094 0.000 1.097 88 F CA 0.454 58.380 58.000 -0.123 0.000 1.330 88 F CB -0.013 38.911 39.000 -0.127 0.000 1.067 88 F HN 0.311 nan 8.300 nan 0.000 0.565 89 E N -0.572 119.612 120.200 -0.027 0.000 2.637 89 E HA -0.298 4.052 4.350 0.001 0.000 0.265 89 E C 0.224 176.869 176.600 0.076 0.000 1.073 89 E CA 0.753 57.164 56.400 0.018 0.000 0.778 89 E CB -2.258 27.491 29.700 0.081 0.000 1.362 89 E HN 0.686 nan 8.360 nan 0.000 0.413 90 F N -4.219 115.678 119.950 -0.088 0.000 2.817 90 F HA 0.675 5.202 4.527 0.000 0.000 0.319 90 F C 1.651 177.261 175.800 -0.317 0.000 1.136 90 F CA -0.094 57.764 58.000 -0.237 0.000 1.177 90 F CB 0.100 38.866 39.000 -0.389 0.000 1.088 90 F HN 0.003 nan 8.300 nan 0.000 0.520 91 A N 1.530 124.199 122.820 -0.252 0.000 1.933 91 A HA -0.196 4.124 4.320 0.001 0.000 0.218 91 A C 1.751 179.312 177.584 -0.040 0.000 1.175 91 A CA 2.227 54.128 52.037 -0.227 0.000 0.628 91 A CB -1.011 17.735 19.000 -0.424 0.000 0.814 91 A HN 0.606 nan 8.150 nan 0.000 0.444 92 D N -0.524 119.900 120.400 0.041 0.000 2.106 92 D HA -0.195 4.445 4.640 0.001 0.000 0.191 92 D C 1.963 178.319 176.300 0.093 0.000 0.997 92 D CA 1.706 55.772 54.000 0.110 0.000 0.834 92 D CB -0.690 40.176 40.800 0.109 0.000 0.956 92 D HN 0.348 nan 8.370 nan 0.000 0.448 93 S N -0.716 115.014 115.700 0.050 0.000 2.382 93 S HA -0.101 4.369 4.470 0.001 0.000 0.228 93 S C 1.957 176.581 174.600 0.040 0.000 1.027 93 S CA 0.704 58.938 58.200 0.058 0.000 0.991 93 S CB -0.350 62.907 63.200 0.095 0.000 0.823 93 S HN 0.216 nan 8.310 nan 0.000 0.469 94 I N 1.666 122.207 120.570 -0.048 0.000 2.226 94 I HA -0.125 4.045 4.170 0.001 0.000 0.245 94 I C 2.307 178.483 176.117 0.099 0.000 1.100 94 I CA 1.147 62.442 61.300 -0.007 0.000 1.374 94 I CB -1.418 36.564 38.000 -0.030 0.000 1.057 94 I HN 0.362 nan 8.210 nan 0.000 0.413 95 L N 0.375 121.678 121.223 0.132 0.000 2.079 95 L HA -0.234 4.107 4.340 0.001 0.000 0.210 95 L C 2.501 179.617 176.870 0.410 0.000 1.081 95 L CA 1.265 56.277 54.840 0.287 0.000 0.752 95 L CB -0.497 41.754 42.059 0.320 0.000 0.896 95 L HN 0.174 nan 8.230 nan 0.000 0.433 96 K N 0.143 120.687 120.400 0.240 0.000 2.228 96 K HA -0.162 4.158 4.320 0.001 0.000 0.202 96 K C 1.929 178.606 176.600 0.129 0.000 1.051 96 K CA 1.170 57.559 56.287 0.171 0.000 0.960 96 K CB 0.147 32.717 32.500 0.116 0.000 0.743 96 K HN 0.280 nan 8.250 nan 0.000 0.458 97 E N -0.862 119.417 120.200 0.131 0.000 2.251 97 E HA 0.179 4.529 4.350 0.001 0.000 0.194 97 E C -0.138 176.524 176.600 0.103 0.000 0.964 97 E CA 0.097 56.552 56.400 0.093 0.000 0.868 97 E CB 0.223 29.971 29.700 0.079 0.000 0.828 97 E HN 0.269 nan 8.360 nan 0.000 0.481 98 A N 0.718 123.629 122.820 0.152 0.000 2.366 98 A HA 0.183 4.503 4.320 0.001 0.000 0.249 98 A C -0.163 177.554 177.584 0.221 0.000 1.084 98 A CA -0.282 51.847 52.037 0.155 0.000 0.794 98 A CB 0.580 19.664 19.000 0.140 0.000 1.034 98 A HN 0.408 nan 8.150 nan 0.000 0.491 99 C N 3.331 122.722 119.300 0.151 0.000 2.303 99 C HA 0.555 5.015 4.460 0.001 0.000 0.341 99 C C -0.418 174.709 174.990 0.229 0.000 1.244 99 C CA -1.010 58.093 59.018 0.141 0.000 1.765 99 C CB -1.672 26.088 27.740 0.033 0.000 2.379 99 C HN 0.606 nan 8.230 nan 0.000 0.530 100 W N 6.220 127.484 121.300 -0.061 0.000 2.190 100 W HA 0.394 5.054 4.660 0.001 0.000 0.330 100 W C 0.177 176.635 176.519 -0.102 0.000 1.299 100 W CA -0.773 56.537 57.345 -0.059 0.000 1.215 100 W CB 0.092 29.540 29.460 -0.020 0.000 1.147 100 W HN 0.380 nan 8.180 nan 0.000 0.563 101 I N 4.929 125.526 120.570 0.044 0.000 2.306 101 I HA 0.069 4.239 4.170 0.001 0.000 0.288 101 I C 0.729 176.916 176.117 0.117 0.000 1.036 101 I CA -0.550 60.735 61.300 -0.025 0.000 1.221 101 I CB 0.350 38.151 38.000 -0.332 0.000 1.385 101 I HN 0.485 nan 8.210 nan 0.000 0.472 102 N N 3.478 122.290 118.700 0.186 0.000 2.428 102 N HA 0.047 4.788 4.740 0.001 0.000 0.181 102 N C -0.037 175.609 175.510 0.227 0.000 1.028 102 N CA 0.527 53.709 53.050 0.221 0.000 0.877 102 N CB 0.702 39.322 38.487 0.221 0.000 1.064 102 N HN 0.500 nan 8.380 nan 0.000 0.434 103 D N -0.152 120.422 120.400 0.290 0.000 2.490 103 D HA 0.447 5.087 4.640 0.001 0.000 0.232 103 D C -0.821 175.613 176.300 0.224 0.000 1.053 103 D CA -0.428 53.721 54.000 0.248 0.000 0.914 103 D CB 3.174 44.089 40.800 0.192 0.000 1.431 103 D HN -0.331 nan 8.370 nan 0.000 0.483 104 V N 0.913 120.910 119.914 0.140 0.000 2.540 104 V HA 0.570 4.690 4.120 0.001 0.000 0.302 104 V C 0.078 176.105 176.094 -0.112 0.000 1.035 104 V CA -0.629 61.683 62.300 0.020 0.000 0.873 104 V CB 1.800 33.643 31.823 0.034 0.000 0.992 104 V HN 0.769 nan 8.190 nan 0.000 0.428 105 T N 1.425 115.861 114.554 -0.196 0.000 2.918 105 T HA 0.813 5.164 4.350 0.001 0.000 0.286 105 T C -0.927 173.663 174.700 -0.184 0.000 1.026 105 T CA -0.519 61.529 62.100 -0.087 0.000 1.031 105 T CB 1.542 70.418 68.868 0.014 0.000 1.046 105 T HN 0.186 nan 8.240 nan 0.000 0.479 106 F N 0.496 120.603 119.950 0.261 0.000 2.507 106 F HA 0.662 5.189 4.527 0.000 0.000 0.325 106 F C -0.889 175.093 175.800 0.303 0.000 1.116 106 F CA -0.949 57.237 58.000 0.310 0.000 0.930 106 F CB 1.683 40.804 39.000 0.202 0.000 1.146 106 F HN 0.546 nan 8.300 nan 0.000 0.447 107 W N 2.640 124.120 121.300 0.300 0.000 2.736 107 W HA 0.745 5.405 4.660 0.000 0.000 0.335 107 W C -0.729 175.917 176.519 0.212 0.000 1.059 107 W CA -0.879 56.628 57.345 0.270 0.000 1.226 107 W CB 1.962 31.599 29.460 0.295 0.000 1.416 107 W HN 0.291 nan 8.180 nan 0.000 0.505 108 K N 1.730 122.358 120.400 0.380 0.000 2.469 108 K HA 0.507 4.828 4.320 0.001 0.000 0.268 108 K C -2.769 173.977 176.600 0.243 0.000 1.027 108 K CA -2.119 54.312 56.287 0.240 0.000 0.893 108 K CB 1.763 34.318 32.500 0.092 0.000 1.460 108 K HN -0.042 nan 8.250 nan 0.000 0.449 109 P HA -0.088 nan 4.420 nan 0.000 0.266 109 P C -1.076 176.314 177.300 0.151 0.000 1.195 109 P CA 0.142 63.340 63.100 0.163 0.000 0.768 109 P CB 0.373 32.140 31.700 0.112 0.000 0.838 110 D N 4.403 124.894 120.400 0.152 0.000 2.339 110 D HA 0.067 4.708 4.640 0.001 0.000 0.256 110 D C -1.454 174.897 176.300 0.086 0.000 1.214 110 D CA -1.891 52.180 54.000 0.119 0.000 0.877 110 D CB 0.720 41.594 40.800 0.124 0.000 1.111 110 D HN 0.118 nan 8.370 nan 0.000 0.478 111 P HA -0.092 nan 4.420 nan 0.000 0.216 111 P C 0.969 178.294 177.300 0.041 0.000 1.154 111 P CA 1.181 64.311 63.100 0.051 0.000 0.865 111 P CB 0.233 31.958 31.700 0.041 0.000 0.789 112 G N -1.962 106.862 108.800 0.040 0.000 3.434 112 G HA2 0.075 4.036 3.960 0.001 0.000 0.258 112 G HA3 0.075 4.036 3.960 0.001 0.000 0.258 112 G C 0.000 174.924 174.900 0.039 0.000 1.128 112 G CA -0.008 45.112 45.100 0.034 0.000 0.792 112 G HN 0.276 nan 8.290 nan 0.000 0.539 113 Q N 0.409 120.240 119.800 0.052 0.000 2.275 113 Q HA 0.228 4.568 4.340 0.001 0.000 0.258 113 Q C -2.935 173.105 176.000 0.067 0.000 0.960 113 Q CA -1.733 54.104 55.803 0.057 0.000 0.801 113 Q CB 2.940 31.717 28.738 0.066 0.000 1.302 113 Q HN -0.003 nan 8.270 nan 0.000 0.433 114 P HA 0.024 nan 4.420 nan 0.000 0.268 114 P C 0.610 177.948 177.300 0.064 0.000 1.205 114 P CA 0.654 63.784 63.100 0.050 0.000 0.771 114 P CB 0.553 32.271 31.700 0.031 0.000 0.858 115 G N 1.973 110.809 108.800 0.059 0.000 2.321 115 G HA2 -0.288 3.673 3.960 0.001 0.000 0.287 115 G HA3 -0.288 3.673 3.960 0.001 0.000 0.287 115 G C -0.022 174.965 174.900 0.144 0.000 1.018 115 G CA 0.015 45.152 45.100 0.063 0.000 0.855 115 G HN 0.597 nan 8.290 nan 0.000 0.507 116 R N -0.863 119.733 120.500 0.161 0.000 2.725 116 R HA 0.652 4.993 4.340 0.001 0.000 0.277 116 R C 0.452 176.900 176.300 0.246 0.000 0.987 116 R CA -0.879 55.346 56.100 0.208 0.000 0.901 116 R CB 1.643 32.043 30.300 0.167 0.000 1.207 116 R HN 0.416 nan 8.270 nan 0.000 0.463 117 I N -0.967 119.815 120.570 0.353 0.000 2.577 117 I HA 0.907 5.078 4.170 0.001 0.000 0.305 117 I C -0.475 176.043 176.117 0.669 0.000 0.986 117 I CA -0.755 60.838 61.300 0.488 0.000 1.189 117 I CB 2.081 40.419 38.000 0.563 0.000 1.355 117 I HN 0.611 nan 8.210 nan 0.000 0.476 118 A N 4.052 127.195 122.820 0.538 0.000 2.539 118 A HA 0.593 4.913 4.320 0.001 0.000 0.296 118 A C -0.691 176.651 177.584 -0.403 0.000 1.073 118 A CA -0.925 51.217 52.037 0.176 0.000 0.700 118 A CB 1.596 20.645 19.000 0.083 0.000 1.296 118 A HN 0.848 nan 8.150 nan 0.000 0.405 119 R N 0.640 120.347 120.500 -1.322 0.000 2.449 119 R HA 0.138 4.479 4.340 0.001 0.000 0.296 119 R C 0.240 176.253 176.300 -0.478 0.000 1.047 119 R CA 0.001 55.240 56.100 -1.435 0.000 1.018 119 R CB 0.149 29.660 30.300 -1.315 0.000 0.962 119 R HN 0.948 nan 8.270 nan 0.000 0.428 120 H N 2.621 121.496 119.070 -0.325 0.000 2.855 120 H HA 0.268 4.824 4.556 0.001 0.000 0.259 120 H C -0.120 175.163 175.328 -0.076 0.000 0.972 120 H CA 0.993 56.965 56.048 -0.127 0.000 1.213 120 H CB 1.118 30.865 29.762 -0.025 0.000 1.451 120 H HN 0.754 nan 8.280 nan 0.000 0.484 121 G N -0.149 108.746 108.800 0.158 0.000 2.559 121 G HA2 0.459 4.419 3.960 0.001 0.000 0.291 121 G HA3 0.459 4.419 3.960 0.001 0.000 0.291 121 G C -1.660 173.400 174.900 0.267 0.000 1.424 121 G CA -0.929 44.274 45.100 0.172 0.000 0.786 121 G HN 0.235 nan 8.290 nan 0.000 0.485 122 R N -0.887 119.745 120.500 0.219 0.000 2.536 122 R HA 0.613 4.953 4.340 0.001 0.000 0.269 122 R C -1.545 174.881 176.300 0.209 0.000 1.113 122 R CA -0.628 55.588 56.100 0.194 0.000 0.948 122 R CB 2.139 32.450 30.300 0.018 0.000 1.237 122 R HN 1.167 nan 8.270 nan 0.000 0.441 123 V N 0.293 120.382 119.914 0.291 0.000 3.007 123 V HA 0.499 4.619 4.120 0.001 0.000 0.311 123 V C -0.706 175.527 176.094 0.232 0.000 1.120 123 V CA -1.047 61.411 62.300 0.264 0.000 0.980 123 V CB 1.804 33.861 31.823 0.390 0.000 1.033 123 V HN 0.902 nan 8.190 nan 0.000 0.429 124 Q N 1.168 121.082 119.800 0.190 0.000 2.297 124 Q HA 0.117 4.457 4.340 0.001 0.000 0.267 124 Q C 0.587 176.709 176.000 0.205 0.000 1.006 124 Q CA 0.358 56.264 55.803 0.172 0.000 0.896 124 Q CB 1.221 30.038 28.738 0.131 0.000 1.186 124 Q HN 0.995 nan 8.270 nan 0.000 0.392 125 D N 2.210 122.732 120.400 0.204 0.000 2.117 125 D HA -0.083 4.557 4.640 0.001 0.000 0.197 125 D C -0.406 175.990 176.300 0.161 0.000 0.987 125 D CA 1.227 55.354 54.000 0.213 0.000 0.829 125 D CB 0.446 41.380 40.800 0.224 0.000 0.961 125 D HN 0.487 nan 8.370 nan 0.000 0.460 126 T N 1.132 115.762 114.554 0.128 0.000 2.791 126 T HA 0.220 4.570 4.350 0.001 0.000 0.288 126 T C -0.793 173.942 174.700 0.059 0.000 0.999 126 T CA -0.749 61.394 62.100 0.071 0.000 0.952 126 T CB 1.397 70.300 68.868 0.058 0.000 0.938 126 T HN 0.171 nan 8.240 nan 0.000 0.444 127 E N 2.647 122.869 120.200 0.036 0.000 2.437 127 E HA 0.055 4.406 4.350 0.001 0.000 0.263 127 E C -0.807 175.802 176.600 0.015 0.000 1.030 127 E CA -0.643 55.775 56.400 0.029 0.000 0.934 127 E CB 0.406 30.110 29.700 0.007 0.000 0.943 127 E HN 0.344 nan 8.360 nan 0.000 0.444 128 D N 1.809 122.221 120.400 0.020 0.000 2.506 128 D HA 0.130 4.770 4.640 0.001 0.000 0.234 128 D C 1.251 177.553 176.300 0.002 0.000 1.143 128 D CA 1.712 55.720 54.000 0.014 0.000 0.871 128 D CB 0.708 41.515 40.800 0.012 0.000 1.190 128 D HN 0.810 nan 8.370 nan 0.000 0.459 129 G N 1.255 110.059 108.800 0.006 0.000 2.189 129 G HA2 -0.339 3.621 3.960 0.001 0.000 0.267 129 G HA3 -0.339 3.621 3.960 0.001 0.000 0.267 129 G C 0.984 175.934 174.900 0.083 0.000 0.975 129 G CA 0.561 45.677 45.100 0.026 0.000 0.644 129 G HN 0.478 nan 8.290 nan 0.000 0.537 130 L N 0.510 121.736 121.223 0.004 0.000 2.072 130 L HA 0.539 4.880 4.340 0.001 0.000 0.205 130 L C 1.329 178.139 176.870 -0.100 0.000 1.079 130 L CA 2.625 57.410 54.840 -0.093 0.000 0.752 130 L CB 0.017 42.016 42.059 -0.099 0.000 0.906 130 L HN 0.676 nan 8.230 nan 0.000 0.436 131 S N -2.004 113.697 115.700 0.001 0.000 2.570 131 S HA 0.238 4.708 4.470 0.001 0.000 0.270 131 S C 0.357 174.959 174.600 0.004 0.000 1.149 131 S CA -0.247 57.971 58.200 0.028 0.000 0.837 131 S CB 0.982 64.191 63.200 0.014 0.000 1.124 131 S HN 0.358 nan 8.310 nan 0.000 0.465 132 E N 1.769 121.942 120.200 -0.046 0.000 2.482 132 E HA 0.075 4.425 4.350 0.001 0.000 0.196 132 E C -0.564 175.792 176.600 -0.406 0.000 1.047 132 E CA 0.468 56.727 56.400 -0.234 0.000 0.869 132 E CB -0.150 29.345 29.700 -0.341 0.000 0.836 132 E HN 0.457 nan 8.360 nan 0.000 0.520 133 F N 1.911 121.831 119.950 -0.050 0.000 2.538 133 F HA 0.487 5.014 4.527 0.001 0.000 0.325 133 F C -2.019 173.662 175.800 -0.198 0.000 1.066 133 F CA -2.669 55.247 58.000 -0.139 0.000 0.946 133 F CB 1.689 40.607 39.000 -0.137 0.000 1.199 133 F HN -0.192 nan 8.300 nan 0.000 0.473 134 P HA 0.124 nan 4.420 nan 0.000 0.281 134 P C -1.298 175.924 177.300 -0.130 0.000 1.281 134 P CA -0.344 62.617 63.100 -0.232 0.000 0.811 134 P CB 1.113 32.417 31.700 -0.660 0.000 1.154 135 H N -0.275 118.702 119.070 -0.155 0.000 2.580 135 H HA 0.450 5.007 4.556 0.000 0.000 0.322 135 H C -0.456 174.802 175.328 -0.118 0.000 1.082 135 H CA -0.815 55.168 56.048 -0.109 0.000 1.383 135 H CB 0.876 30.610 29.762 -0.046 0.000 1.450 135 H HN 0.257 nan 8.280 nan 0.000 0.505 136 V N 3.436 123.369 119.914 0.031 0.000 3.160 136 V HA 0.493 4.614 4.120 0.001 0.000 0.310 136 V C -1.155 174.936 176.094 -0.006 0.000 1.181 136 V CA -1.065 61.188 62.300 -0.079 0.000 1.047 136 V CB 2.327 34.096 31.823 -0.091 0.000 1.068 136 V HN 0.611 nan 8.190 nan 0.000 0.441 137 I N 3.051 123.623 120.570 0.002 0.000 2.406 137 I HA 0.755 4.925 4.170 0.001 0.000 0.290 137 I C -0.853 175.292 176.117 0.047 0.000 0.999 137 I CA -0.407 60.909 61.300 0.028 0.000 1.124 137 I CB 1.332 39.333 38.000 0.002 0.000 1.289 137 I HN 0.759 nan 8.210 nan 0.000 0.441 138 L N 6.528 127.780 121.223 0.048 0.000 2.565 138 L HA 0.427 4.767 4.340 0.001 0.000 0.261 138 L C -0.403 176.467 176.870 -0.001 0.000 0.932 138 L CA -0.324 54.535 54.840 0.032 0.000 0.878 138 L CB 1.636 43.727 42.059 0.053 0.000 1.333 138 L HN 0.589 nan 8.230 nan 0.000 0.409 139 N N 3.393 122.069 118.700 -0.039 0.000 2.132 139 N HA -0.140 4.600 4.740 0.001 0.000 0.280 139 N C 0.864 176.297 175.510 -0.128 0.000 1.318 139 N CA 1.251 54.239 53.050 -0.103 0.000 0.822 139 N CB 0.662 39.081 38.487 -0.113 0.000 1.058 139 N HN 0.859 nan 8.380 nan 0.000 0.489 140 Q N 3.767 123.464 119.800 -0.172 0.000 2.133 140 Q HA -0.282 4.058 4.340 0.001 0.000 0.208 140 Q C 1.455 177.217 176.000 -0.396 0.000 0.991 140 Q CA 2.149 57.825 55.803 -0.212 0.000 0.867 140 Q CB -0.227 28.355 28.738 -0.259 0.000 0.911 140 Q HN 0.820 nan 8.270 nan 0.000 0.417 141 A N 0.805 123.366 122.820 -0.431 0.000 1.978 141 A HA -0.201 4.120 4.320 0.001 0.000 0.220 141 A C 1.977 179.422 177.584 -0.232 0.000 1.170 141 A CA 1.387 53.176 52.037 -0.414 0.000 0.636 141 A CB -0.428 18.399 19.000 -0.289 0.000 0.810 141 A HN 0.277 nan 8.150 nan 0.000 0.448 142 R N -0.639 119.755 120.500 -0.177 0.000 2.115 142 R HA -0.008 4.332 4.340 0.001 0.000 0.226 142 R C 2.037 178.263 176.300 -0.123 0.000 1.100 142 R CA 1.200 57.215 56.100 -0.142 0.000 0.980 142 R CB -1.063 29.187 30.300 -0.083 0.000 0.875 142 R HN 0.453 nan 8.270 nan 0.000 0.445 143 V N 0.417 120.272 119.914 -0.098 0.000 2.358 143 V HA -0.215 3.906 4.120 0.001 0.000 0.246 143 V C 2.085 178.101 176.094 -0.130 0.000 1.047 143 V CA 1.559 63.759 62.300 -0.167 0.000 1.035 143 V CB -0.608 31.223 31.823 0.013 0.000 0.658 143 V HN 0.415 nan 8.190 nan 0.000 0.452 144 H N -0.350 118.654 119.070 -0.110 0.000 2.352 144 H HA -0.184 4.372 4.556 0.000 0.000 0.299 144 H C 2.206 177.452 175.328 -0.136 0.000 1.097 144 H CA 1.351 57.379 56.048 -0.033 0.000 1.311 144 H CB 0.041 29.793 29.762 -0.017 0.000 1.377 144 H HN 0.427 nan 8.280 nan 0.000 0.504 145 D N -0.039 120.307 120.400 -0.091 0.000 2.123 145 D HA -0.145 4.495 4.640 0.001 0.000 0.196 145 D C 2.093 178.151 176.300 -0.402 0.000 0.992 145 D CA 1.073 54.929 54.000 -0.239 0.000 0.833 145 D CB -0.369 40.239 40.800 -0.321 0.000 0.954 145 D HN 0.526 nan 8.370 nan 0.000 0.455 146 H N -0.717 118.018 119.070 -0.558 0.000 2.357 146 H HA -0.077 4.479 4.556 0.000 0.000 0.301 146 H C 2.112 176.955 175.328 -0.808 0.000 1.082 146 H CA 0.926 56.406 56.048 -0.946 0.000 1.342 146 H CB -0.362 28.270 29.762 -1.884 0.000 1.389 146 H HN 0.387 nan 8.280 nan 0.000 0.511 147 Y N 0.692 120.683 120.300 -0.516 0.000 2.181 147 Y HA -0.174 4.376 4.550 0.001 0.000 0.288 147 Y C 2.792 178.553 175.900 -0.231 0.000 1.146 147 Y CA 0.223 58.120 58.100 -0.339 0.000 1.164 147 Y CB -0.092 38.207 38.460 -0.268 0.000 0.982 147 Y HN 0.031 nan 8.280 nan 0.000 0.515 148 L N -0.102 121.099 121.223 -0.038 0.000 2.083 148 L HA -0.224 4.117 4.340 0.001 0.000 0.209 148 L C 2.432 179.251 176.870 -0.086 0.000 1.083 148 L CA 1.493 56.297 54.840 -0.059 0.000 0.752 148 L CB -0.391 41.640 42.059 -0.047 0.000 0.899 148 L HN 0.282 nan 8.230 nan 0.000 0.433 149 E N 0.318 120.438 120.200 -0.133 0.000 2.072 149 E HA -0.272 4.078 4.350 0.001 0.000 0.191 149 E C 2.290 178.848 176.600 -0.069 0.000 0.985 149 E CA 0.861 57.188 56.400 -0.123 0.000 0.801 149 E CB 0.131 29.723 29.700 -0.181 0.000 0.750 149 E HN 0.169 nan 8.360 nan 0.000 0.452 150 R N 0.381 120.853 120.500 -0.047 0.000 2.081 150 R HA -0.087 4.253 4.340 0.001 0.000 0.235 150 R C 2.160 178.476 176.300 0.026 0.000 1.131 150 R CA 1.840 57.965 56.100 0.040 0.000 0.960 150 R CB -0.308 30.078 30.300 0.144 0.000 0.856 150 R HN 0.248 nan 8.270 nan 0.000 0.436 151 M N -0.665 118.932 119.600 -0.004 0.000 2.117 151 M HA -0.092 4.389 4.480 0.001 0.000 0.262 151 M C 2.453 178.732 176.300 -0.034 0.000 1.065 151 M CA 1.909 57.194 55.300 -0.024 0.000 1.114 151 M CB -0.228 32.342 32.600 -0.051 0.000 1.361 151 M HN 0.079 nan 8.290 nan 0.000 0.408 152 R N 0.323 120.793 120.500 -0.049 0.000 2.075 152 R HA -0.091 4.250 4.340 0.001 0.000 0.232 152 R C 1.335 177.611 176.300 -0.040 0.000 1.126 152 R CA 1.315 57.381 56.100 -0.057 0.000 0.963 152 R CB -0.019 30.238 30.300 -0.071 0.000 0.858 152 R HN 0.354 nan 8.270 nan 0.000 0.435 153 N N 0.387 119.068 118.700 -0.032 0.000 2.398 153 N HA -0.042 4.699 4.740 0.001 0.000 0.188 153 N C 0.100 175.602 175.510 -0.013 0.000 1.122 153 N CA 0.517 53.552 53.050 -0.025 0.000 0.866 153 N CB 0.367 38.839 38.487 -0.026 0.000 0.970 153 N HN 0.223 nan 8.380 nan 0.000 0.462 154 S N 0.540 116.235 115.700 -0.008 0.000 2.608 154 S HA 0.263 4.734 4.470 0.001 0.000 0.261 154 S C -1.690 172.907 174.600 -0.005 0.000 1.314 154 S CA -0.938 57.259 58.200 -0.005 0.000 0.992 154 S CB 1.280 64.473 63.200 -0.011 0.000 0.935 154 S HN -0.158 nan 8.310 nan 0.000 0.564 155 P HA 0.039 nan 4.420 nan 0.000 0.222 155 P C 1.049 178.358 177.300 0.016 0.000 1.147 155 P CA 0.907 64.013 63.100 0.010 0.000 0.790 155 P CB -0.062 31.650 31.700 0.020 0.000 0.780 156 S N -0.988 114.720 115.700 0.013 0.000 2.496 156 S HA 0.022 4.492 4.470 0.001 0.000 0.224 156 S C 0.631 175.244 174.600 0.020 0.000 0.996 156 S CA 0.123 58.337 58.200 0.024 0.000 0.927 156 S CB -0.490 62.725 63.200 0.025 0.000 0.774 156 S HN 0.042 nan 8.310 nan 0.000 0.524 157 R N 0.335 120.837 120.500 0.004 0.000 3.416 157 R HA -0.158 4.182 4.340 0.001 0.000 0.263 157 R C -0.565 175.728 176.300 -0.013 0.000 1.053 157 R CA 0.101 56.196 56.100 -0.008 0.000 0.705 157 R CB -2.490 27.811 30.300 0.002 0.000 1.124 157 R HN 0.367 nan 8.270 nan 0.000 0.444 158 L N 1.712 122.927 121.223 -0.015 0.000 2.410 158 L HA 0.162 4.503 4.340 0.001 0.000 0.273 158 L C 0.786 177.606 176.870 -0.083 0.000 1.152 158 L CA 0.515 55.346 54.840 -0.016 0.000 0.855 158 L CB 0.603 42.657 42.059 -0.008 0.000 1.129 158 L HN 0.316 nan 8.230 nan 0.000 0.463 159 E N 4.588 124.706 120.200 -0.138 0.000 2.383 159 E HA 0.615 4.965 4.350 0.001 0.000 0.275 159 E C -2.898 173.528 176.600 -0.289 0.000 0.918 159 E CA -2.320 53.915 56.400 -0.275 0.000 0.764 159 E CB 1.214 30.644 29.700 -0.450 0.000 1.252 159 E HN 0.294 nan 8.360 nan 0.000 0.449 160 P HA 0.136 nan 4.420 nan 0.000 0.272 160 P C -1.165 175.868 177.300 -0.446 0.000 1.230 160 P CA -0.242 62.586 63.100 -0.452 0.000 0.788 160 P CB 0.286 31.444 31.700 -0.902 0.000 0.949 161 H N 0.428 119.356 119.070 -0.237 0.000 2.661 161 H HA 0.319 4.876 4.556 0.001 0.000 0.290 161 H C -0.267 174.964 175.328 -0.162 0.000 1.082 161 H CA -0.022 55.976 56.048 -0.082 0.000 1.234 161 H CB -0.348 29.386 29.762 -0.047 0.000 1.387 161 H HN 0.342 nan 8.280 nan 0.000 0.476 162 Y N 0.944 121.290 120.300 0.078 0.000 2.289 162 Y HA 0.341 4.891 4.550 0.000 0.000 0.332 162 Y C 1.244 177.168 175.900 0.040 0.000 1.324 162 Y CA -0.288 57.837 58.100 0.042 0.000 1.478 162 Y CB 0.691 39.158 38.460 0.012 0.000 1.378 162 Y HN 0.780 nan 8.280 nan 0.000 0.558 163 A N 1.007 123.969 122.820 0.237 0.000 2.791 163 A HA -0.245 4.075 4.320 0.001 0.000 0.292 163 A C -0.097 177.539 177.584 0.087 0.000 1.487 163 A CA 0.755 52.871 52.037 0.131 0.000 0.760 163 A CB -1.957 17.111 19.000 0.114 0.000 1.031 163 A HN 0.593 nan 8.150 nan 0.000 0.503 164 R N -0.773 119.774 120.500 0.078 0.000 2.502 164 R HA 0.600 4.940 4.340 0.001 0.000 0.300 164 R C -0.141 176.179 176.300 0.033 0.000 0.984 164 R CA -0.307 55.816 56.100 0.040 0.000 0.882 164 R CB 1.274 31.587 30.300 0.021 0.000 1.180 164 R HN 0.514 nan 8.270 nan 0.000 0.444 165 R N 3.219 123.734 120.500 0.025 0.000 2.265 165 R HA 0.391 4.731 4.340 0.001 0.000 0.328 165 R C -0.873 175.433 176.300 0.010 0.000 0.969 165 R CA -0.564 55.549 56.100 0.022 0.000 0.832 165 R CB 1.085 31.401 30.300 0.026 0.000 1.139 165 R HN 0.365 nan 8.270 nan 0.000 0.457 166 V N 7.214 127.132 119.914 0.007 0.000 2.521 166 V HA 0.004 4.125 4.120 0.001 0.000 0.286 166 V C 1.210 177.306 176.094 0.003 0.000 1.034 166 V CA 0.369 62.669 62.300 0.000 0.000 1.045 166 V CB 1.163 32.985 31.823 -0.001 0.000 0.974 166 V HN 0.861 nan 8.190 nan 0.000 0.480 167 L N 2.630 123.853 121.223 -0.000 0.000 2.425 167 L HA 0.398 4.739 4.340 0.001 0.000 0.215 167 L C 0.456 177.326 176.870 -0.001 0.000 1.065 167 L CA 0.563 55.404 54.840 0.002 0.000 0.842 167 L CB 0.297 42.357 42.059 0.001 0.000 1.033 167 L HN 0.622 nan 8.230 nan 0.000 0.474 168 D N -1.546 118.851 120.400 -0.006 0.000 2.609 168 D HA 0.481 5.121 4.640 0.001 0.000 0.239 168 D C -1.484 174.808 176.300 -0.013 0.000 1.229 168 D CA -0.182 53.814 54.000 -0.008 0.000 0.808 168 D CB 3.016 43.810 40.800 -0.009 0.000 1.448 168 D HN -0.335 nan 8.370 nan 0.000 0.433 169 V N 2.670 122.575 119.914 -0.015 0.000 2.612 169 V HA 0.512 4.633 4.120 0.001 0.000 0.301 169 V C -0.728 175.347 176.094 -0.032 0.000 1.059 169 V CA -0.787 61.500 62.300 -0.022 0.000 0.886 169 V CB 1.905 33.718 31.823 -0.016 0.000 1.007 169 V HN 0.366 nan 8.190 nan 0.000 0.426 170 K N 3.490 123.862 120.400 -0.047 0.000 2.443 170 K HA 0.666 4.986 4.320 0.001 0.000 0.252 170 K C -1.163 175.372 176.600 -0.109 0.000 0.933 170 K CA -0.654 55.594 56.287 -0.065 0.000 0.792 170 K CB 2.774 35.242 32.500 -0.053 0.000 1.185 170 K HN 0.403 nan 8.250 nan 0.000 0.425 171 V N 2.148 121.961 119.914 -0.169 0.000 2.370 171 V HA 0.120 4.240 4.120 0.001 0.000 0.279 171 V C -0.124 175.722 176.094 -0.413 0.000 1.029 171 V CA -0.704 61.413 62.300 -0.305 0.000 0.870 171 V CB 1.408 32.985 31.823 -0.410 0.000 0.984 171 V HN 0.580 nan 8.190 nan 0.000 0.451 172 D N 3.005 123.221 120.400 -0.307 0.000 2.479 172 D HA 0.166 4.807 4.640 0.001 0.000 0.218 172 D C 1.079 177.246 176.300 -0.221 0.000 1.131 172 D CA -0.287 53.583 54.000 -0.216 0.000 0.916 172 D CB 0.393 41.130 40.800 -0.106 0.000 1.022 172 D HN 0.548 nan 8.370 nan 0.000 0.515 173 H N 2.150 121.203 119.070 -0.028 0.000 2.568 173 H HA 0.037 4.593 4.556 0.000 0.000 0.281 173 H C 1.503 176.816 175.328 -0.024 0.000 1.028 173 H CA 0.969 57.000 56.048 -0.029 0.000 1.199 173 H CB 0.334 30.083 29.762 -0.022 0.000 1.352 173 H HN 0.505 nan 8.280 nan 0.000 0.605 174 G N -0.455 108.374 108.800 0.049 0.000 3.192 174 G HA2 0.336 4.296 3.960 0.001 0.000 0.239 174 G HA3 0.336 4.296 3.960 0.001 0.000 0.239 174 G C 0.568 175.470 174.900 0.003 0.000 1.084 174 G CA 0.313 45.431 45.100 0.029 0.000 0.784 174 G HN 0.375 nan 8.290 nan 0.000 0.540 175 A N 0.225 123.035 122.820 -0.016 0.000 2.407 175 A HA 0.677 4.997 4.320 0.001 0.000 0.248 175 A C 1.620 179.191 177.584 -0.022 0.000 1.082 175 A CA 0.465 52.489 52.037 -0.021 0.000 0.785 175 A CB 0.895 19.873 19.000 -0.037 0.000 1.020 175 A HN 0.667 nan 8.150 nan 0.000 0.489 176 A N 0.905 123.717 122.820 -0.012 0.000 1.930 176 A HA 0.261 4.581 4.320 0.001 0.000 0.215 176 A C 0.783 178.340 177.584 -0.045 0.000 1.176 176 A CA 1.776 53.803 52.037 -0.018 0.000 0.632 176 A CB -0.098 18.900 19.000 -0.003 0.000 0.819 176 A HN 0.838 nan 8.150 nan 0.000 0.445 177 D N -4.697 115.682 120.400 -0.036 0.000 2.615 177 D HA 0.401 5.041 4.640 0.001 0.000 0.267 177 D C -1.107 175.171 176.300 -0.037 0.000 1.236 177 D CA -0.723 53.203 54.000 -0.123 0.000 0.839 177 D CB 0.367 41.093 40.800 -0.123 0.000 1.380 177 D HN 0.137 nan 8.370 nan 0.000 0.433 178 Y N -1.103 119.135 120.300 -0.103 0.000 2.967 178 Y HA -0.176 4.374 4.550 0.000 0.000 0.208 178 Y C -1.400 174.430 175.900 -0.117 0.000 1.214 178 Y CA 0.380 58.414 58.100 -0.111 0.000 0.915 178 Y CB -1.230 37.183 38.460 -0.078 0.000 1.218 178 Y HN 0.301 nan 8.280 nan 0.000 0.472 179 P HA -0.044 nan 4.420 nan 0.000 0.233 179 P C 0.178 177.413 177.300 -0.107 0.000 1.167 179 P CA 0.935 63.978 63.100 -0.094 0.000 0.770 179 P CB 0.426 32.039 31.700 -0.143 0.000 0.837 180 V N 0.789 120.651 119.914 -0.086 0.000 2.394 180 V HA 0.246 4.367 4.120 0.001 0.000 0.282 180 V C 0.401 176.468 176.094 -0.044 0.000 1.031 180 V CA -0.097 62.155 62.300 -0.080 0.000 0.881 180 V CB 1.246 33.026 31.823 -0.073 0.000 0.982 180 V HN -0.078 nan 8.190 nan 0.000 0.451 181 T N 4.826 119.349 114.554 -0.053 0.000 2.758 181 T HA 0.550 4.900 4.350 0.001 0.000 0.285 181 T C -0.257 174.420 174.700 -0.038 0.000 0.981 181 T CA -0.300 61.774 62.100 -0.043 0.000 0.965 181 T CB 1.399 70.240 68.868 -0.044 0.000 0.927 181 T HN 0.371 nan 8.240 nan 0.000 0.448 182 V N 3.912 123.805 119.914 -0.036 0.000 2.459 182 V HA 0.470 4.591 4.120 0.001 0.000 0.295 182 V C 0.298 176.371 176.094 -0.035 0.000 1.029 182 V CA -0.750 61.531 62.300 -0.032 0.000 0.874 182 V CB 1.942 33.747 31.823 -0.029 0.000 0.985 182 V HN 0.923 nan 8.190 nan 0.000 0.438 183 T N 6.623 121.161 114.554 -0.028 0.000 2.771 183 T HA 0.761 5.112 4.350 0.001 0.000 0.281 183 T C -0.593 174.094 174.700 -0.022 0.000 0.982 183 T CA -0.264 61.820 62.100 -0.026 0.000 0.978 183 T CB 0.945 69.801 68.868 -0.020 0.000 0.930 183 T HN 0.289 nan 8.240 nan 0.000 0.447 184 L N 2.345 123.553 121.223 -0.026 0.000 2.354 184 L HA 0.630 4.970 4.340 0.001 0.000 0.264 184 L C -0.010 176.853 176.870 -0.012 0.000 1.008 184 L CA -0.784 54.044 54.840 -0.020 0.000 0.819 184 L CB 1.920 43.959 42.059 -0.033 0.000 1.339 184 L HN 0.575 nan 8.230 nan 0.000 0.420 185 E N 1.553 121.753 120.200 -0.000 0.000 2.187 185 E HA 0.461 4.812 4.350 0.001 0.000 0.268 185 E C -0.976 175.635 176.600 0.018 0.000 0.896 185 E CA -0.813 55.593 56.400 0.010 0.000 0.766 185 E CB 1.219 30.927 29.700 0.015 0.000 1.142 185 E HN 0.438 nan 8.360 nan 0.000 0.408 186 R N 3.186 123.702 120.500 0.026 0.000 2.389 186 R HA 0.185 4.526 4.340 0.001 0.000 0.295 186 R C 0.177 176.513 176.300 0.061 0.000 1.075 186 R CA -0.297 55.826 56.100 0.038 0.000 1.005 186 R CB 0.635 30.959 30.300 0.040 0.000 0.987 186 R HN 0.676 nan 8.270 nan 0.000 0.452 187 C N 0.641 119.979 119.300 0.064 0.000 2.674 187 C HA 0.001 4.462 4.460 0.001 0.000 0.276 187 C C 0.719 175.753 174.990 0.073 0.000 1.300 187 C CA -0.363 58.692 59.018 0.062 0.000 1.732 187 C CB -0.804 26.970 27.740 0.056 0.000 2.076 187 C HN 0.787 nan 8.230 nan 0.000 0.548 188 D N 1.503 121.963 120.400 0.100 0.000 2.362 188 D HA 0.220 4.860 4.640 0.001 0.000 0.242 188 D C 1.101 177.460 176.300 0.099 0.000 1.132 188 D CA 0.485 54.549 54.000 0.107 0.000 0.907 188 D CB 1.054 41.944 40.800 0.150 0.000 1.195 188 D HN 0.171 nan 8.370 nan 0.000 0.429 189 A N 2.264 125.119 122.820 0.058 0.000 1.917 189 A HA -0.113 4.207 4.320 0.001 0.000 0.219 189 A C 2.226 179.807 177.584 -0.004 0.000 1.182 189 A CA 2.686 54.738 52.037 0.025 0.000 0.633 189 A CB -1.136 17.871 19.000 0.010 0.000 0.819 189 A HN 0.786 nan 8.150 nan 0.000 0.448 190 A N -1.341 121.465 122.820 -0.022 0.000 2.024 190 A HA -0.124 4.196 4.320 0.001 0.000 0.220 190 A C 1.549 178.877 177.584 -0.426 0.000 1.164 190 A CA 1.922 53.831 52.037 -0.213 0.000 0.643 190 A CB -0.578 18.276 19.000 -0.243 0.000 0.806 190 A HN 0.735 nan 8.150 nan 0.000 0.451 191 H N -1.824 117.256 119.070 0.017 0.000 2.767 191 H HA 0.547 5.103 4.556 0.000 0.000 0.260 191 H C 0.553 175.890 175.328 0.014 0.000 1.172 191 H CA -0.411 55.647 56.048 0.016 0.000 1.048 191 H CB -0.115 29.659 29.762 0.021 0.000 1.697 191 H HN 0.448 nan 8.280 nan 0.000 0.606 192 A N 1.236 124.113 122.820 0.094 0.000 2.592 192 A HA 0.298 4.618 4.320 0.001 0.000 0.250 192 A C 1.799 179.414 177.584 0.052 0.000 1.017 192 A CA 1.344 53.419 52.037 0.064 0.000 0.794 192 A CB -0.831 18.190 19.000 0.036 0.000 0.917 192 A HN 0.911 nan 8.150 nan 0.000 0.515 193 G N 1.464 110.293 108.800 0.048 0.000 2.225 193 G HA2 -0.264 3.696 3.960 0.001 0.000 0.254 193 G HA3 -0.264 3.696 3.960 0.001 0.000 0.254 193 G C 0.329 175.250 174.900 0.036 0.000 0.988 193 G CA 0.553 45.674 45.100 0.035 0.000 0.625 193 G HN 1.009 nan 8.290 nan 0.000 0.527 194 Q N 0.503 120.337 119.800 0.056 0.000 2.330 194 Q HA 0.409 4.749 4.340 0.001 0.000 0.279 194 Q C 0.298 176.315 176.000 0.027 0.000 1.024 194 Q CA 0.095 55.929 55.803 0.051 0.000 0.900 194 Q CB 0.740 29.533 28.738 0.090 0.000 1.221 194 Q HN 0.341 nan 8.270 nan 0.000 0.396 195 I N 2.656 123.234 120.570 0.013 0.000 2.359 195 I HA 0.278 4.448 4.170 0.001 0.000 0.294 195 I C 0.128 176.236 176.117 -0.015 0.000 0.987 195 I CA -0.116 61.183 61.300 -0.002 0.000 1.225 195 I CB 1.401 39.399 38.000 -0.004 0.000 1.366 195 I HN 0.641 nan 8.210 nan 0.000 0.466 196 E N 3.331 123.514 120.200 -0.028 0.000 2.256 196 E HA 0.586 4.936 4.350 0.001 0.000 0.267 196 E C -1.025 175.544 176.600 -0.051 0.000 0.892 196 E CA -0.604 55.767 56.400 -0.048 0.000 0.775 196 E CB 2.383 32.042 29.700 -0.068 0.000 1.207 196 E HN 0.477 nan 8.360 nan 0.000 0.420 197 T N 1.273 115.791 114.554 -0.060 0.000 2.848 197 T HA 0.467 4.817 4.350 0.001 0.000 0.285 197 T C -0.952 173.701 174.700 -0.078 0.000 0.995 197 T CA -0.587 61.477 62.100 -0.060 0.000 0.970 197 T CB 1.289 70.126 68.868 -0.051 0.000 0.976 197 T HN 0.119 nan 8.240 nan 0.000 0.441 198 V N 3.532 123.401 119.914 -0.076 0.000 2.656 198 V HA 0.467 4.587 4.120 0.001 0.000 0.307 198 V C -0.727 175.326 176.094 -0.069 0.000 1.051 198 V CA -1.006 61.241 62.300 -0.089 0.000 0.893 198 V CB 2.092 33.859 31.823 -0.093 0.000 0.999 198 V HN 0.719 nan 8.190 nan 0.000 0.426 199 Q N 2.831 122.580 119.800 -0.086 0.000 2.290 199 Q HA 0.805 5.145 4.340 0.001 0.000 0.259 199 Q C -0.293 175.724 176.000 0.028 0.000 0.941 199 Q CA -0.192 55.584 55.803 -0.045 0.000 0.912 199 Q CB 2.307 30.991 28.738 -0.089 0.000 1.244 199 Q HN 0.934 nan 8.270 nan 0.000 0.441 200 A N 2.323 125.200 122.820 0.096 0.000 2.469 200 A HA 0.557 4.877 4.320 0.001 0.000 0.299 200 A C 0.331 177.957 177.584 0.071 0.000 1.098 200 A CA -0.590 51.541 52.037 0.156 0.000 0.737 200 A CB 1.372 20.417 19.000 0.075 0.000 1.312 200 A HN 0.740 nan 8.150 nan 0.000 0.414 201 R N -0.880 119.611 120.500 -0.015 0.000 2.093 201 R HA 0.112 4.452 4.340 0.001 0.000 0.224 201 R C -0.757 175.178 176.300 -0.608 0.000 1.101 201 R CA 1.321 57.200 56.100 -0.368 0.000 0.979 201 R CB -0.004 30.059 30.300 -0.395 0.000 0.877 201 R HN 0.671 nan 8.270 nan 0.000 0.441 202 Y N -1.417 118.907 120.300 0.039 0.000 2.534 202 Y HA 0.411 4.962 4.550 0.000 0.000 0.345 202 Y C -0.717 175.230 175.900 0.077 0.000 1.031 202 Y CA -1.073 57.076 58.100 0.082 0.000 1.022 202 Y CB 2.131 40.667 38.460 0.126 0.000 1.292 202 Y HN -0.387 nan 8.280 nan 0.000 0.459 203 V N 3.246 123.315 119.914 0.257 0.000 2.656 203 V HA 0.653 4.774 4.120 0.001 0.000 0.307 203 V C -1.126 175.088 176.094 0.199 0.000 1.051 203 V CA -0.907 61.486 62.300 0.156 0.000 0.893 203 V CB 2.100 33.965 31.823 0.071 0.000 0.999 203 V HN 0.511 nan 8.190 nan 0.000 0.426 204 V N 2.944 122.936 119.914 0.130 0.000 2.407 204 V HA 0.615 4.736 4.120 0.001 0.000 0.291 204 V C 0.635 176.764 176.094 0.058 0.000 1.018 204 V CA -0.517 61.852 62.300 0.115 0.000 0.842 204 V CB 1.796 33.634 31.823 0.025 0.000 0.996 204 V HN 0.972 nan 8.190 nan 0.000 0.426 205 G N 2.449 111.288 108.800 0.065 0.000 2.391 205 G HA2 0.353 4.313 3.960 0.001 0.000 0.305 205 G HA3 0.353 4.313 3.960 0.001 0.000 0.305 205 G C 0.158 175.069 174.900 0.018 0.000 1.072 205 G CA -0.138 44.982 45.100 0.034 0.000 1.016 205 G HN 0.847 nan 8.290 nan 0.000 0.418 206 C N 3.023 122.324 119.300 0.002 0.000 2.557 206 C HA 0.197 4.657 4.460 0.001 0.000 0.281 206 C C 0.865 175.851 174.990 -0.006 0.000 1.490 206 C CA -1.041 57.972 59.018 -0.009 0.000 1.771 206 C CB -0.696 27.028 27.740 -0.026 0.000 2.887 206 C HN 0.811 nan 8.230 nan 0.000 0.527 207 D N 0.140 120.541 120.400 0.001 0.000 2.370 207 D HA 0.341 4.982 4.640 0.001 0.000 0.230 207 D C 1.060 177.368 176.300 0.014 0.000 1.143 207 D CA 0.529 54.535 54.000 0.009 0.000 0.834 207 D CB -0.153 40.654 40.800 0.012 0.000 0.944 207 D HN 0.528 nan 8.370 nan 0.000 0.504 208 G N 0.173 108.977 108.800 0.008 0.000 2.796 208 G HA2 -0.127 3.833 3.960 0.001 0.000 0.226 208 G HA3 -0.127 3.833 3.960 0.001 0.000 0.226 208 G C 1.015 175.922 174.900 0.011 0.000 1.381 208 G CA 0.445 45.554 45.100 0.014 0.000 0.867 208 G HN 0.666 nan 8.290 nan 0.000 0.552 209 A N -0.390 122.446 122.820 0.026 0.000 1.958 209 A HA -0.095 4.225 4.320 0.001 0.000 0.221 209 A C 2.149 179.748 177.584 0.027 0.000 1.178 209 A CA 2.430 54.484 52.037 0.028 0.000 0.642 209 A CB -0.243 18.789 19.000 0.055 0.000 0.816 209 A HN 0.850 nan 8.150 nan 0.000 0.453 210 R N -0.084 120.435 120.500 0.031 0.000 2.702 210 R HA 0.206 4.546 4.340 0.001 0.000 0.314 210 R C 0.378 176.692 176.300 0.023 0.000 1.152 210 R CA 0.279 56.396 56.100 0.028 0.000 1.097 210 R CB 0.153 30.473 30.300 0.032 0.000 1.343 210 R HN 0.353 nan 8.270 nan 0.000 0.575 211 S N 0.839 116.549 115.700 0.018 0.000 2.784 211 S HA -0.086 4.384 4.470 0.001 0.000 0.322 211 S C 0.960 175.569 174.600 0.016 0.000 1.234 211 S CA -0.102 58.107 58.200 0.015 0.000 1.064 211 S CB 0.245 63.450 63.200 0.008 0.000 0.787 211 S HN 0.327 nan 8.310 nan 0.000 0.506 212 N N 3.830 122.539 118.700 0.015 0.000 2.354 212 N HA -0.028 4.712 4.740 0.001 0.000 0.179 212 N C 1.638 177.155 175.510 0.013 0.000 1.021 212 N CA 0.845 53.904 53.050 0.014 0.000 0.887 212 N CB -0.314 38.180 38.487 0.012 0.000 0.974 212 N HN 0.477 nan 8.380 nan 0.000 0.437 213 V N 1.171 121.093 119.914 0.014 0.000 2.358 213 V HA -0.153 3.967 4.120 0.001 0.000 0.246 213 V C 2.524 178.628 176.094 0.018 0.000 1.047 213 V CA 1.376 63.684 62.300 0.015 0.000 1.035 213 V CB -0.409 31.426 31.823 0.020 0.000 0.658 213 V HN 0.277 nan 8.190 nan 0.000 0.452 214 R N 0.326 120.838 120.500 0.020 0.000 2.083 214 R HA -0.189 4.152 4.340 0.001 0.000 0.237 214 R C 2.547 178.861 176.300 0.024 0.000 1.137 214 R CA 1.818 57.933 56.100 0.025 0.000 0.951 214 R CB -0.188 30.124 30.300 0.021 0.000 0.851 214 R HN 0.447 nan 8.270 nan 0.000 0.434 215 R N -0.103 120.409 120.500 0.020 0.000 2.096 215 R HA -0.066 4.274 4.340 0.001 0.000 0.235 215 R C 2.368 178.677 176.300 0.015 0.000 1.127 215 R CA 1.327 57.438 56.100 0.018 0.000 0.968 215 R CB -0.376 29.933 30.300 0.016 0.000 0.861 215 R HN 0.271 nan 8.270 nan 0.000 0.440 216 A N 1.907 124.734 122.820 0.012 0.000 1.933 216 A HA -0.114 4.206 4.320 0.001 0.000 0.218 216 A C 2.039 179.628 177.584 0.009 0.000 1.175 216 A CA 1.326 53.367 52.037 0.007 0.000 0.628 216 A CB -0.569 18.433 19.000 0.002 0.000 0.814 216 A HN 0.486 nan 8.150 nan 0.000 0.444 217 I N -4.421 116.157 120.570 0.013 0.000 3.855 217 I HA 0.491 4.661 4.170 0.001 0.000 0.327 217 I C 1.072 177.204 176.117 0.025 0.000 1.359 217 I CA 0.408 61.717 61.300 0.016 0.000 1.142 217 I CB -0.447 37.560 38.000 0.012 0.000 1.041 217 I HN 0.298 nan 8.210 nan 0.000 0.403 218 G N 1.791 110.605 108.800 0.024 0.000 2.168 218 G HA2 -0.248 3.712 3.960 0.001 0.000 0.257 218 G HA3 -0.248 3.712 3.960 0.001 0.000 0.257 218 G C 0.269 175.188 174.900 0.032 0.000 0.997 218 G CA -0.071 45.044 45.100 0.026 0.000 0.708 218 G HN 0.439 nan 8.290 nan 0.000 0.520 219 R N 0.277 120.799 120.500 0.038 0.000 2.528 219 R HA 0.575 4.915 4.340 0.001 0.000 0.271 219 R C 0.661 176.988 176.300 0.045 0.000 1.056 219 R CA -0.082 56.048 56.100 0.050 0.000 1.117 219 R CB 0.859 31.200 30.300 0.067 0.000 1.085 219 R HN 0.772 nan 8.270 nan 0.000 0.530 220 Q N 0.953 120.783 119.800 0.050 0.000 2.345 220 Q HA 0.392 4.733 4.340 0.001 0.000 0.275 220 Q C -0.974 175.056 176.000 0.051 0.000 1.063 220 Q CA -0.815 55.013 55.803 0.043 0.000 0.819 220 Q CB 1.530 30.289 28.738 0.035 0.000 1.356 220 Q HN 0.383 nan 8.270 nan 0.000 0.418 221 L N 2.325 123.575 121.223 0.044 0.000 2.433 221 L HA 0.266 4.606 4.340 0.001 0.000 0.275 221 L C -0.619 176.276 176.870 0.042 0.000 1.128 221 L CA -0.494 54.375 54.840 0.048 0.000 0.875 221 L CB 0.746 42.827 42.059 0.036 0.000 1.171 221 L HN 0.438 nan 8.230 nan 0.000 0.463 222 V N 3.632 123.575 119.914 0.048 0.000 2.398 222 V HA 0.900 5.020 4.120 0.001 0.000 0.286 222 V C 0.542 176.658 176.094 0.037 0.000 1.026 222 V CA -0.121 62.203 62.300 0.039 0.000 0.868 222 V CB 1.114 32.961 31.823 0.040 0.000 0.982 222 V HN 0.986 nan 8.190 nan 0.000 0.443 223 G N 3.788 112.605 108.800 0.029 0.000 2.364 223 G HA2 0.312 4.273 3.960 0.001 0.000 0.286 223 G HA3 0.312 4.273 3.960 0.001 0.000 0.286 223 G C -1.942 172.971 174.900 0.022 0.000 1.241 223 G CA -0.635 44.481 45.100 0.027 0.000 0.887 223 G HN 0.475 nan 8.290 nan 0.000 0.484 224 D N 0.587 120.999 120.400 0.021 0.000 2.268 224 D HA 0.531 5.171 4.640 0.001 0.000 0.249 224 D C 0.953 177.261 176.300 0.014 0.000 1.008 224 D CA 0.065 54.075 54.000 0.016 0.000 0.939 224 D CB 1.708 42.517 40.800 0.016 0.000 1.170 224 D HN 0.590 nan 8.370 nan 0.000 0.468 225 S N -0.478 115.228 115.700 0.009 0.000 2.596 225 S HA 0.293 4.764 4.470 0.001 0.000 0.260 225 S C 0.428 175.031 174.600 0.004 0.000 1.336 225 S CA -0.834 57.370 58.200 0.006 0.000 0.993 225 S CB 0.547 63.748 63.200 0.003 0.000 0.923 225 S HN 0.562 nan 8.310 nan 0.000 0.567 226 A N 1.344 124.164 122.820 0.001 0.000 2.519 226 A HA 0.001 4.321 4.320 0.001 0.000 0.275 226 A C 1.284 178.864 177.584 -0.007 0.000 1.082 226 A CA 0.468 52.502 52.037 -0.005 0.000 0.841 226 A CB -1.500 17.493 19.000 -0.011 0.000 0.984 226 A HN 1.018 nan 8.150 nan 0.000 0.531 227 N N 1.299 120.002 118.700 0.005 0.000 2.149 227 N HA -0.172 4.568 4.740 0.001 0.000 0.188 227 N C 0.307 175.809 175.510 -0.015 0.000 1.019 227 N CA 1.647 54.699 53.050 0.004 0.000 0.857 227 N CB 0.043 38.547 38.487 0.027 0.000 0.997 227 N HN 0.894 nan 8.380 nan 0.000 0.426 228 Q N -1.303 118.490 119.800 -0.012 0.000 2.648 228 Q HA 0.693 5.033 4.340 0.001 0.000 0.300 228 Q C -1.786 174.157 176.000 -0.095 0.000 0.954 228 Q CA -0.917 54.831 55.803 -0.092 0.000 0.757 228 Q CB 1.704 30.361 28.738 -0.134 0.000 1.482 228 Q HN 0.114 nan 8.270 nan 0.000 0.437 229 A N 0.085 122.770 122.820 -0.225 0.000 2.374 229 A HA 0.812 5.132 4.320 0.001 0.000 0.305 229 A C -1.922 175.537 177.584 -0.208 0.000 1.053 229 A CA -0.588 51.385 52.037 -0.106 0.000 0.726 229 A CB 0.751 19.717 19.000 -0.058 0.000 1.229 229 A HN 0.526 nan 8.150 nan 0.000 0.431 230 W N 1.392 122.770 121.300 0.130 0.000 2.656 230 W HA 0.571 5.231 4.660 0.001 0.000 0.327 230 W C 0.581 177.242 176.519 0.236 0.000 1.041 230 W CA -0.349 57.132 57.345 0.226 0.000 1.229 230 W CB 2.245 31.936 29.460 0.385 0.000 1.397 230 W HN 0.984 nan 8.180 nan 0.000 0.479 231 G N 1.695 110.739 108.800 0.406 0.000 2.353 231 G HA2 0.527 4.487 3.960 0.001 0.000 0.284 231 G HA3 0.527 4.487 3.960 0.001 0.000 0.284 231 G C -1.297 173.782 174.900 0.299 0.000 1.172 231 G CA -0.376 44.903 45.100 0.299 0.000 0.854 231 G HN 0.324 nan 8.290 nan 0.000 0.485 232 V N 3.812 123.839 119.914 0.188 0.000 2.588 232 V HA 0.708 4.828 4.120 0.001 0.000 0.304 232 V C 0.130 176.220 176.094 -0.006 0.000 1.042 232 V CA -0.646 61.654 62.300 -0.000 0.000 0.877 232 V CB 1.373 33.148 31.823 -0.080 0.000 0.996 232 V HN 0.964 nan 8.190 nan 0.000 0.425 233 M N 1.650 121.278 119.600 0.047 0.000 2.324 233 M HA 0.719 5.199 4.480 0.001 0.000 0.288 233 M C -1.978 174.446 176.300 0.206 0.000 1.097 233 M CA -0.616 54.757 55.300 0.122 0.000 0.928 233 M CB 2.596 35.238 32.600 0.071 0.000 1.648 233 M HN 0.313 nan 8.290 nan 0.000 0.460 234 D N 3.741 124.306 120.400 0.276 0.000 2.329 234 D HA 0.571 5.211 4.640 0.001 0.000 0.232 234 D C -0.523 175.909 176.300 0.221 0.000 1.088 234 D CA -0.054 54.105 54.000 0.265 0.000 0.835 234 D CB 2.138 43.130 40.800 0.320 0.000 1.078 234 D HN 0.647 nan 8.370 nan 0.000 0.495 235 V N -0.079 119.965 119.914 0.215 0.000 3.040 235 V HA 0.616 4.736 4.120 0.001 0.000 0.312 235 V C -0.813 175.375 176.094 0.157 0.000 1.115 235 V CA -1.002 61.400 62.300 0.170 0.000 0.998 235 V CB 2.144 34.058 31.823 0.152 0.000 1.042 235 V HN 0.330 nan 8.190 nan 0.000 0.433 236 L N 3.672 124.963 121.223 0.112 0.000 2.301 236 L HA 0.882 5.222 4.340 0.001 0.000 0.278 236 L C 0.250 177.168 176.870 0.079 0.000 1.022 236 L CA -0.168 54.730 54.840 0.097 0.000 0.854 236 L CB 0.951 43.048 42.059 0.064 0.000 1.226 236 L HN 1.077 nan 8.230 nan 0.000 0.429 237 A N 3.305 126.188 122.820 0.106 0.000 2.485 237 A HA 0.884 5.205 4.320 0.001 0.000 0.292 237 A C -1.129 176.510 177.584 0.092 0.000 1.147 237 A CA -0.534 51.553 52.037 0.083 0.000 0.750 237 A CB 2.130 21.181 19.000 0.086 0.000 1.331 237 A HN 0.229 nan 8.150 nan 0.000 0.419 238 V N 0.828 120.784 119.914 0.069 0.000 2.384 238 V HA 0.724 4.845 4.120 0.001 0.000 0.287 238 V C 0.128 176.274 176.094 0.087 0.000 1.020 238 V CA -0.092 62.253 62.300 0.074 0.000 0.850 238 V CB 1.271 33.123 31.823 0.049 0.000 0.987 238 V HN 1.056 nan 8.190 nan 0.000 0.436 239 T N 1.650 116.273 114.554 0.116 0.000 2.896 239 T HA 0.406 4.756 4.350 0.001 0.000 0.297 239 T C -0.235 174.556 174.700 0.151 0.000 1.108 239 T CA -0.438 61.748 62.100 0.143 0.000 1.004 239 T CB 1.852 70.836 68.868 0.193 0.000 1.159 239 T HN 0.813 nan 8.240 nan 0.000 0.499 240 D N 1.598 122.113 120.400 0.192 0.000 2.402 240 D HA 0.107 4.747 4.640 0.001 0.000 0.216 240 D C 0.222 176.653 176.300 0.217 0.000 1.128 240 D CA -0.398 53.719 54.000 0.196 0.000 0.833 240 D CB -0.412 40.513 40.800 0.208 0.000 0.971 240 D HN 0.316 nan 8.370 nan 0.000 0.503 241 F N 3.611 123.541 119.950 -0.033 0.000 2.533 241 F HA 0.196 4.723 4.527 0.001 0.000 0.378 241 F C -1.170 174.467 175.800 -0.272 0.000 1.070 241 F CA -2.377 55.362 58.000 -0.435 0.000 1.172 241 F CB 0.936 39.707 39.000 -0.381 0.000 1.085 241 F HN -0.201 nan 8.300 nan 0.000 0.552 242 P HA -0.147 nan 4.420 nan 0.000 0.222 242 P C 0.131 177.217 177.300 -0.356 0.000 1.147 242 P CA 1.241 64.106 63.100 -0.393 0.000 0.790 242 P CB 0.295 31.874 31.700 -0.202 0.000 0.780 243 D N -0.861 119.071 120.400 -0.780 0.000 2.388 243 D HA 0.020 4.660 4.640 0.001 0.000 0.221 243 D C 1.583 177.910 176.300 0.045 0.000 1.133 243 D CA -0.171 53.719 54.000 -0.184 0.000 0.831 243 D CB -0.298 40.427 40.800 -0.126 0.000 0.962 243 D HN -0.089 nan 8.370 nan 0.000 0.502 244 V N 0.655 120.591 119.914 0.037 0.000 2.688 244 V HA -0.194 3.926 4.120 0.001 0.000 0.256 244 V C 1.586 177.700 176.094 0.034 0.000 1.084 244 V CA 1.548 63.941 62.300 0.155 0.000 1.103 244 V CB -0.112 31.815 31.823 0.173 0.000 0.688 244 V HN 0.096 nan 8.190 nan 0.000 0.480 245 R N -1.263 119.216 120.500 -0.035 0.000 2.317 245 R HA 0.196 4.536 4.340 0.001 0.000 0.208 245 R C -0.229 175.942 176.300 -0.215 0.000 0.914 245 R CA -0.041 55.972 56.100 -0.146 0.000 1.060 245 R CB -0.425 29.741 30.300 -0.223 0.000 1.015 245 R HN 0.527 nan 8.270 nan 0.000 0.498 246 Y N 0.644 120.935 120.300 -0.014 0.000 2.519 246 Y HA 0.310 4.861 4.550 0.000 0.000 0.324 246 Y C 0.780 176.673 175.900 -0.012 0.000 1.214 246 Y CA -0.912 57.188 58.100 -0.000 0.000 1.260 246 Y CB 0.875 39.350 38.460 0.024 0.000 1.311 246 Y HN -0.290 nan 8.280 nan 0.000 0.505 247 K N 1.262 121.773 120.400 0.185 0.000 2.276 247 K HA 0.576 4.896 4.320 0.001 0.000 0.283 247 K C -1.798 174.841 176.600 0.064 0.000 1.044 247 K CA -0.213 56.119 56.287 0.075 0.000 0.944 247 K CB 0.397 32.927 32.500 0.049 0.000 1.012 247 K HN 0.472 nan 8.250 nan 0.000 0.472 248 V N 2.808 122.743 119.914 0.035 0.000 2.638 248 V HA 0.507 4.628 4.120 0.001 0.000 0.306 248 V C -0.721 175.382 176.094 0.014 0.000 1.052 248 V CA -1.113 61.209 62.300 0.037 0.000 0.885 248 V CB 1.546 33.459 31.823 0.150 0.000 0.999 248 V HN 0.914 nan 8.190 nan 0.000 0.424 249 A N 6.188 128.989 122.820 -0.032 0.000 2.249 249 A HA 0.867 5.187 4.320 0.001 0.000 0.314 249 A C -0.595 177.128 177.584 0.231 0.000 1.290 249 A CA -0.339 51.754 52.037 0.094 0.000 0.893 249 A CB 0.195 19.270 19.000 0.125 0.000 1.165 249 A HN 0.784 nan 8.150 nan 0.000 0.530 250 I N 2.440 123.138 120.570 0.215 0.000 2.389 250 I HA 0.279 4.449 4.170 0.001 0.000 0.288 250 I C -0.229 176.020 176.117 0.221 0.000 0.999 250 I CA -0.206 61.235 61.300 0.235 0.000 1.129 250 I CB 1.824 39.883 38.000 0.099 0.000 1.288 250 I HN 0.671 nan 8.210 nan 0.000 0.444 251 Q N 5.027 124.966 119.800 0.232 0.000 2.331 251 Q HA 0.609 4.949 4.340 0.001 0.000 0.267 251 Q C -0.714 175.382 176.000 0.159 0.000 1.006 251 Q CA -0.578 55.328 55.803 0.173 0.000 0.818 251 Q CB 2.670 31.495 28.738 0.145 0.000 1.276 251 Q HN 0.825 nan 8.270 nan 0.000 0.450 252 S N 0.632 116.405 115.700 0.122 0.000 2.671 252 S HA 0.342 4.813 4.470 0.001 0.000 0.277 252 S C 0.072 174.715 174.600 0.072 0.000 1.165 252 S CA -0.799 57.468 58.200 0.110 0.000 0.822 252 S CB 1.315 64.585 63.200 0.116 0.000 1.150 252 S HN 0.490 nan 8.310 nan 0.000 0.479 253 E N 0.359 120.596 120.200 0.061 0.000 2.502 253 E HA 0.077 4.428 4.350 0.001 0.000 0.194 253 E C 0.764 177.377 176.600 0.022 0.000 1.062 253 E CA 0.450 56.871 56.400 0.035 0.000 0.867 253 E CB -0.057 29.661 29.700 0.030 0.000 0.888 253 E HN 0.531 nan 8.360 nan 0.000 0.510 254 Q N -0.199 119.618 119.800 0.029 0.000 2.282 254 Q HA 0.266 4.607 4.340 0.001 0.000 0.206 254 Q C 0.742 176.749 176.000 0.013 0.000 0.878 254 Q CA 0.343 56.154 55.803 0.013 0.000 0.944 254 Q CB 1.638 30.384 28.738 0.014 0.000 1.100 254 Q HN 0.187 nan 8.270 nan 0.000 0.509 255 G N 1.117 109.933 108.800 0.027 0.000 2.347 255 G HA2 -0.066 3.895 3.960 0.001 0.000 0.477 255 G HA3 -0.066 3.895 3.960 0.001 0.000 0.477 255 G C -1.469 173.471 174.900 0.066 0.000 1.349 255 G CA -1.026 44.090 45.100 0.027 0.000 1.000 255 G HN 0.027 nan 8.290 nan 0.000 0.605 256 N N -0.845 117.903 118.700 0.081 0.000 2.399 256 N HA 0.730 5.470 4.740 0.001 0.000 0.295 256 N C -0.634 175.029 175.510 0.256 0.000 1.048 256 N CA -0.348 52.798 53.050 0.161 0.000 0.886 256 N CB 2.213 40.803 38.487 0.172 0.000 1.185 256 N HN 0.562 nan 8.380 nan 0.000 0.487 257 V N 1.681 121.760 119.914 0.274 0.000 2.925 257 V HA 0.457 4.577 4.120 0.001 0.000 0.311 257 V C -0.866 175.395 176.094 0.279 0.000 1.104 257 V CA -0.857 61.638 62.300 0.325 0.000 0.954 257 V CB 2.573 34.542 31.823 0.245 0.000 1.022 257 V HN 0.463 nan 8.190 nan 0.000 0.427 258 L N 4.906 126.304 121.223 0.291 0.000 2.356 258 L HA 0.688 5.028 4.340 0.001 0.000 0.277 258 L C -0.858 176.093 176.870 0.135 0.000 0.996 258 L CA 0.097 55.029 54.840 0.154 0.000 0.822 258 L CB 1.409 43.472 42.059 0.008 0.000 1.256 258 L HN 0.563 nan 8.230 nan 0.000 0.413 259 I N 6.030 126.600 120.570 -0.001 0.000 2.336 259 I HA 0.388 4.558 4.170 0.001 0.000 0.292 259 I C -0.654 175.419 176.117 -0.074 0.000 0.991 259 I CA -0.476 60.715 61.300 -0.182 0.000 1.227 259 I CB 1.427 39.267 38.000 -0.267 0.000 1.366 259 I HN 0.404 nan 8.210 nan 0.000 0.466 260 I N 8.738 129.267 120.570 -0.068 0.000 2.411 260 I HA 0.311 4.482 4.170 0.001 0.000 0.284 260 I C -2.253 173.834 176.117 -0.050 0.000 1.012 260 I CA -2.410 58.892 61.300 0.004 0.000 1.119 260 I CB 1.549 39.627 38.000 0.129 0.000 1.261 260 I HN 0.226 nan 8.210 nan 0.000 0.448 261 P HA 0.205 nan 4.420 nan 0.000 0.271 261 P C -0.388 176.895 177.300 -0.029 0.000 1.216 261 P CA -0.374 62.693 63.100 -0.055 0.000 0.771 261 P CB 1.203 32.867 31.700 -0.061 0.000 0.864 262 R N 1.757 122.246 120.500 -0.018 0.000 2.758 262 R HA 0.236 4.577 4.340 0.001 0.000 0.265 262 R C 0.704 177.002 176.300 -0.003 0.000 1.016 262 R CA -0.849 55.251 56.100 0.001 0.000 1.040 262 R CB 0.655 30.966 30.300 0.018 0.000 1.152 262 R HN 0.568 nan 8.270 nan 0.000 0.503 263 E N 0.221 120.427 120.200 0.010 0.000 2.502 263 E HA 0.003 4.353 4.350 0.001 0.000 0.261 263 E C 0.518 177.116 176.600 -0.003 0.000 0.974 263 E CA 0.905 57.312 56.400 0.012 0.000 0.936 263 E CB 0.210 29.923 29.700 0.022 0.000 0.926 263 E HN 0.767 nan 8.360 nan 0.000 0.459 264 G N 2.020 110.805 108.800 -0.024 0.000 2.194 264 G HA2 -0.188 3.772 3.960 0.001 0.000 0.236 264 G HA3 -0.188 3.772 3.960 0.001 0.000 0.236 264 G C 1.002 175.804 174.900 -0.163 0.000 0.987 264 G CA 0.414 45.490 45.100 -0.041 0.000 0.635 264 G HN 1.650 nan 8.290 nan 0.000 0.520 265 G N -1.144 107.537 108.800 -0.199 0.000 2.184 265 G HA2 -0.322 3.639 3.960 0.001 0.000 0.264 265 G HA3 -0.322 3.639 3.960 0.001 0.000 0.264 265 G C 0.749 175.356 174.900 -0.488 0.000 0.975 265 G CA 1.655 46.537 45.100 -0.363 0.000 0.642 265 G HN 1.099 nan 8.290 nan 0.000 0.536 266 H N -1.561 117.509 119.070 0.000 0.000 2.381 266 H HA 0.286 4.842 4.556 0.000 0.000 0.252 266 H C 1.341 176.687 175.328 0.029 0.000 0.920 266 H CA 0.362 56.418 56.048 0.014 0.000 1.100 266 H CB -0.299 29.473 29.762 0.016 0.000 1.435 266 H HN 0.374 nan 8.280 nan 0.000 0.454 267 L N 2.531 123.840 121.223 0.143 0.000 2.485 267 L HA 0.191 4.531 4.340 0.001 0.000 0.275 267 L C -0.360 176.552 176.870 0.070 0.000 1.207 267 L CA 0.273 55.178 54.840 0.107 0.000 0.855 267 L CB 0.412 42.522 42.059 0.085 0.000 1.114 267 L HN -0.146 nan 8.230 nan 0.000 0.485 268 V N 5.141 125.106 119.914 0.085 0.000 2.888 268 V HA 0.522 4.642 4.120 0.001 0.000 0.309 268 V C -0.478 175.634 176.094 0.029 0.000 1.114 268 V CA -0.872 61.431 62.300 0.006 0.000 0.940 268 V CB 1.956 33.755 31.823 -0.040 0.000 1.021 268 V HN 0.817 nan 8.190 nan 0.000 0.426 269 R N 2.720 123.184 120.500 -0.061 0.000 2.393 269 R HA 0.679 5.019 4.340 0.001 0.000 0.310 269 R C -1.918 174.303 176.300 -0.132 0.000 0.968 269 R CA -0.345 55.751 56.100 -0.006 0.000 0.867 269 R CB 1.081 31.382 30.300 0.002 0.000 1.124 269 R HN 0.522 nan 8.270 nan 0.000 0.450 270 F N 3.755 123.696 119.950 -0.015 0.000 2.467 270 F HA 0.379 4.907 4.527 0.000 0.000 0.336 270 F C -0.857 174.938 175.800 -0.009 0.000 1.123 270 F CA -0.560 57.460 58.000 0.033 0.000 0.964 270 F CB 1.452 40.467 39.000 0.025 0.000 1.136 270 F HN 0.432 nan 8.300 nan 0.000 0.447 271 Y N 2.563 123.036 120.300 0.287 0.000 2.331 271 Y HA 0.576 5.126 4.550 0.000 0.000 0.338 271 Y C -0.386 175.803 175.900 0.481 0.000 0.976 271 Y CA -0.946 57.350 58.100 0.327 0.000 1.137 271 Y CB 1.520 40.026 38.460 0.076 0.000 1.172 271 Y HN 0.196 nan 8.280 nan 0.000 0.478 272 V N 3.786 124.061 119.914 0.601 0.000 2.384 272 V HA 0.213 4.333 4.120 0.001 0.000 0.287 272 V C -0.039 176.263 176.094 0.345 0.000 1.020 272 V CA -1.263 61.287 62.300 0.417 0.000 0.850 272 V CB 1.385 33.328 31.823 0.200 0.000 0.987 272 V HN 0.706 nan 8.190 nan 0.000 0.436 273 E N 4.483 124.748 120.200 0.108 0.000 2.384 273 E HA 0.385 4.735 4.350 0.001 0.000 0.266 273 E C -0.395 176.034 176.600 -0.286 0.000 1.012 273 E CA 0.125 56.211 56.400 -0.525 0.000 0.901 273 E CB 0.672 29.967 29.700 -0.675 0.000 0.967 273 E HN 0.609 nan 8.360 nan 0.000 0.435 274 M N 1.932 121.323 119.600 -0.349 0.000 2.828 274 M HA 0.342 4.823 4.480 0.001 0.000 0.284 274 M C -0.387 175.796 176.300 -0.195 0.000 1.166 274 M CA -0.826 54.363 55.300 -0.185 0.000 0.770 274 M CB 1.060 33.607 32.600 -0.089 0.000 1.741 274 M HN 0.675 nan 8.290 nan 0.000 0.443 288 I N 2.596 123.216 120.570 0.084 0.000 2.556 288 I HA 0.105 4.276 4.170 0.001 0.000 0.284 288 I C 1.314 177.504 176.117 0.121 0.000 1.114 288 I CA 0.562 61.916 61.300 0.090 0.000 1.418 288 I CB 0.359 38.448 38.000 0.147 0.000 1.394 288 I HN 0.440 nan 8.210 nan 0.000 0.552 289 T N 2.325 116.829 114.554 -0.082 0.000 2.930 289 T HA 0.387 4.738 4.350 0.001 0.000 0.290 289 T C 0.809 175.068 174.700 -0.734 0.000 1.052 289 T CA -0.696 61.237 62.100 -0.277 0.000 1.017 289 T CB 2.204 70.971 68.868 -0.168 0.000 1.137 289 T HN 0.269 nan 8.240 nan 0.000 0.511 290 V N 0.826 120.009 119.914 -1.218 0.000 2.515 290 V HA -0.063 4.057 4.120 0.001 0.000 0.250 290 V C 2.266 178.005 176.094 -0.591 0.000 1.058 290 V CA 2.064 63.620 62.300 -1.241 0.000 1.064 290 V CB -0.963 30.008 31.823 -1.419 0.000 0.675 290 V HN 0.945 nan 8.190 nan 0.000 0.461 291 E N 0.071 120.022 120.200 -0.416 0.000 2.118 291 E HA -0.252 4.098 4.350 0.001 0.000 0.195 291 E C 2.241 178.707 176.600 -0.222 0.000 0.992 291 E CA 1.756 58.001 56.400 -0.258 0.000 0.804 291 E CB -0.301 29.291 29.700 -0.181 0.000 0.741 291 E HN 0.732 nan 8.360 nan 0.000 0.458 292 Q N -0.189 119.477 119.800 -0.224 0.000 2.079 292 Q HA -0.058 4.282 4.340 0.001 0.000 0.200 292 Q C 2.257 178.158 176.000 -0.166 0.000 0.974 292 Q CA 0.893 56.599 55.803 -0.162 0.000 0.840 292 Q CB -0.107 28.554 28.738 -0.128 0.000 0.898 292 Q HN 0.293 nan 8.270 nan 0.000 0.430 293 L N 0.280 121.369 121.223 -0.223 0.000 2.017 293 L HA -0.207 4.133 4.340 0.001 0.000 0.208 293 L C 2.326 179.078 176.870 -0.197 0.000 1.073 293 L CA 1.090 55.820 54.840 -0.183 0.000 0.745 293 L CB -0.455 41.473 42.059 -0.218 0.000 0.894 293 L HN 0.275 nan 8.230 nan 0.000 0.432 294 I N -0.051 120.372 120.570 -0.244 0.000 2.226 294 I HA -0.279 3.892 4.170 0.001 0.000 0.245 294 I C 2.837 178.839 176.117 -0.191 0.000 1.100 294 I CA 1.172 62.323 61.300 -0.247 0.000 1.374 294 I CB -0.478 37.381 38.000 -0.234 0.000 1.057 294 I HN 0.197 nan 8.210 nan 0.000 0.413 295 A N 0.348 123.076 122.820 -0.153 0.000 1.908 295 A HA -0.215 4.105 4.320 0.001 0.000 0.218 295 A C 2.386 179.913 177.584 -0.095 0.000 1.181 295 A CA 2.532 54.502 52.037 -0.112 0.000 0.627 295 A CB -1.081 17.860 19.000 -0.097 0.000 0.818 295 A HN 0.392 nan 8.150 nan 0.000 0.445 296 T N 0.122 114.618 114.554 -0.097 0.000 2.737 296 T HA 0.032 4.382 4.350 0.001 0.000 0.265 296 T C 2.255 176.914 174.700 -0.068 0.000 1.038 296 T CA 1.491 63.551 62.100 -0.067 0.000 1.144 296 T CB -0.456 68.382 68.868 -0.051 0.000 0.866 296 T HN 0.599 nan 8.240 nan 0.000 0.434 297 A N 1.465 124.214 122.820 -0.118 0.000 1.940 297 A HA -0.201 4.119 4.320 0.001 0.000 0.219 297 A C 2.270 179.771 177.584 -0.137 0.000 1.176 297 A CA 1.652 53.595 52.037 -0.158 0.000 0.631 297 A CB -0.671 18.100 19.000 -0.382 0.000 0.814 297 A HN 0.567 nan 8.150 nan 0.000 0.446 298 Q N -0.800 118.923 119.800 -0.128 0.000 2.084 298 Q HA -0.144 4.197 4.340 0.001 0.000 0.202 298 Q C 2.355 178.358 176.000 0.005 0.000 0.978 298 Q CA 1.430 57.194 55.803 -0.065 0.000 0.844 298 Q CB -0.186 28.516 28.738 -0.059 0.000 0.898 298 Q HN 0.612 nan 8.270 nan 0.000 0.426 299 R N -0.088 120.406 120.500 -0.010 0.000 2.092 299 R HA -0.088 4.253 4.340 0.001 0.000 0.231 299 R C 2.278 178.604 176.300 0.043 0.000 1.119 299 R CA 1.151 57.257 56.100 0.009 0.000 0.970 299 R CB -0.251 30.035 30.300 -0.024 0.000 0.864 299 R HN 0.118 nan 8.270 nan 0.000 0.440 300 V N 1.392 121.319 119.914 0.022 0.000 2.358 300 V HA -0.178 3.942 4.120 0.001 0.000 0.246 300 V C 2.190 178.313 176.094 0.048 0.000 1.047 300 V CA 1.478 63.802 62.300 0.039 0.000 1.035 300 V CB -0.286 31.553 31.823 0.026 0.000 0.658 300 V HN 0.277 nan 8.190 nan 0.000 0.452 301 L N -1.140 120.086 121.223 0.005 0.000 2.395 301 L HA -0.004 4.336 4.340 0.001 0.000 0.218 301 L C 1.439 178.404 176.870 0.159 0.000 1.130 301 L CA 0.194 55.029 54.840 -0.008 0.000 0.826 301 L CB -0.554 41.442 42.059 -0.104 0.000 0.941 301 L HN 0.427 nan 8.230 nan 0.000 0.451 302 H N 2.808 121.907 119.070 0.049 0.000 3.134 302 H HA -0.057 4.500 4.556 0.001 0.000 0.326 302 H C -1.578 173.763 175.328 0.023 0.000 1.017 302 H CA -0.540 55.522 56.048 0.023 0.000 1.359 302 H CB 1.217 30.983 29.762 0.006 0.000 1.300 302 H HN -0.017 nan 8.280 nan 0.000 0.596 303 P HA -0.075 nan 4.420 nan 0.000 0.245 303 P C -0.371 176.577 177.300 -0.586 0.000 1.212 303 P CA 0.422 62.953 63.100 -0.949 0.000 0.774 303 P CB -0.050 31.244 31.700 -0.677 0.000 0.999 304 Y N 1.417 121.664 120.300 -0.087 0.000 2.425 304 Y HA 0.118 4.669 4.550 0.000 0.000 0.331 304 Y C 1.466 177.350 175.900 -0.026 0.000 1.157 304 Y CA 0.024 58.127 58.100 0.004 0.000 1.372 304 Y CB 0.232 38.769 38.460 0.128 0.000 1.253 304 Y HN -0.214 nan 8.280 nan 0.000 0.536 305 K N 3.050 123.528 120.400 0.130 0.000 2.118 305 K HA 0.538 4.858 4.320 0.001 0.000 0.267 305 K C -1.311 175.335 176.600 0.076 0.000 0.991 305 K CA -0.961 55.367 56.287 0.069 0.000 0.916 305 K CB 1.281 33.807 32.500 0.044 0.000 1.041 305 K HN 0.411 nan 8.250 nan 0.000 0.455 306 L N 1.982 123.219 121.223 0.023 0.000 2.415 306 L HA 0.225 4.565 4.340 0.001 0.000 0.268 306 L C -1.149 175.703 176.870 -0.029 0.000 0.984 306 L CA -0.039 54.796 54.840 -0.009 0.000 0.853 306 L CB 1.539 43.541 42.059 -0.095 0.000 1.215 306 L HN 0.660 nan 8.230 nan 0.000 0.419 307 E N 4.354 124.552 120.200 -0.005 0.000 2.102 307 E HA 0.413 4.763 4.350 0.001 0.000 0.263 307 E C -1.326 175.265 176.600 -0.016 0.000 0.894 307 E CA -0.677 55.714 56.400 -0.014 0.000 0.746 307 E CB 1.271 30.972 29.700 0.002 0.000 1.129 307 E HN 0.494 nan 8.360 nan 0.000 0.416 308 V N 6.150 126.038 119.914 -0.043 0.000 2.470 308 V HA 0.052 4.172 4.120 0.001 0.000 0.276 308 V C 1.007 177.089 176.094 -0.021 0.000 1.040 308 V CA -0.145 62.133 62.300 -0.037 0.000 1.008 308 V CB 1.067 32.843 31.823 -0.078 0.000 0.990 308 V HN 0.662 nan 8.190 nan 0.000 0.477 309 K N 2.891 123.290 120.400 -0.002 0.000 2.276 309 K HA 0.200 4.520 4.320 0.001 0.000 0.198 309 K C 0.628 177.230 176.600 0.003 0.000 1.052 309 K CA 0.482 56.768 56.287 -0.001 0.000 0.984 309 K CB 0.191 32.692 32.500 0.002 0.000 0.836 309 K HN 0.681 nan 8.250 nan 0.000 0.490 310 N N -0.211 118.498 118.700 0.015 0.000 2.504 310 N HA 0.116 4.857 4.740 0.001 0.000 0.268 310 N C -1.820 173.717 175.510 0.047 0.000 1.184 310 N CA -0.248 52.819 53.050 0.027 0.000 0.875 310 N CB 2.295 40.801 38.487 0.032 0.000 1.630 310 N HN -0.318 nan 8.380 nan 0.000 0.486 311 V N 4.530 124.479 119.914 0.059 0.000 2.289 311 V HA 0.315 4.435 4.120 0.001 0.000 0.272 311 V C -1.555 174.632 176.094 0.155 0.000 1.026 311 V CA -1.162 61.197 62.300 0.097 0.000 0.807 311 V CB 1.189 33.044 31.823 0.054 0.000 1.044 311 V HN 0.618 nan 8.190 nan 0.000 0.443 312 P HA -0.090 nan 4.420 nan 0.000 0.219 312 P C -0.211 177.281 177.300 0.320 0.000 1.146 312 P CA 1.284 64.501 63.100 0.194 0.000 0.808 312 P CB 0.232 32.029 31.700 0.162 0.000 0.779 313 W N -0.260 121.109 121.300 0.115 0.000 3.464 313 W HA 0.424 5.085 4.660 0.001 0.000 0.292 313 W C -2.207 174.445 176.519 0.222 0.000 1.262 313 W CA -0.719 56.691 57.345 0.108 0.000 1.202 313 W CB 0.740 30.214 29.460 0.024 0.000 1.334 313 W HN -0.087 nan 8.180 nan 0.000 0.561 314 W N 3.966 124.651 121.300 -1.024 0.000 3.146 314 W HA 0.752 5.412 4.660 0.000 0.000 0.319 314 W C -1.781 173.996 176.519 -1.237 0.000 1.258 314 W CA -0.757 55.991 57.345 -0.995 0.000 1.189 314 W CB 1.099 30.310 29.460 -0.415 0.000 1.412 314 W HN 0.777 nan 8.180 nan 0.000 0.567 315 S N 0.185 115.382 115.700 -0.838 0.000 2.636 315 S HA 0.583 5.054 4.470 0.001 0.000 0.266 315 S C -2.248 172.280 174.600 -0.120 0.000 1.147 315 S CA -0.464 57.306 58.200 -0.718 0.000 0.815 315 S CB 1.401 64.207 63.200 -0.656 0.000 1.119 315 S HN 0.586 nan 8.310 nan 0.000 0.470 316 V N 3.609 123.507 119.914 -0.025 0.000 2.275 316 V HA 0.369 4.490 4.120 0.001 0.000 0.272 316 V C -1.017 175.233 176.094 0.261 0.000 1.028 316 V CA -0.487 61.909 62.300 0.160 0.000 0.810 316 V CB 0.340 32.238 31.823 0.126 0.000 1.043 316 V HN 0.753 nan 8.190 nan 0.000 0.453 317 Y N 4.507 124.939 120.300 0.220 0.000 2.486 317 Y HA 0.462 5.013 4.550 0.001 0.000 0.348 317 Y C 0.268 176.350 175.900 0.304 0.000 1.000 317 Y CA -0.614 57.651 58.100 0.275 0.000 1.253 317 Y CB 0.524 39.200 38.460 0.361 0.000 1.140 317 Y HN 0.717 nan 8.280 nan 0.000 0.526 318 E N 8.096 128.305 120.200 0.015 0.000 2.281 318 E HA 0.494 4.844 4.350 0.001 0.000 0.266 318 E C -1.843 174.689 176.600 -0.114 0.000 0.893 318 E CA -0.725 55.632 56.400 -0.072 0.000 0.798 318 E CB 0.987 30.701 29.700 0.025 0.000 1.245 318 E HN 0.579 nan 8.360 nan 0.000 0.410 319 I N 0.646 121.110 120.570 -0.178 0.000 2.841 319 I HA 0.703 4.873 4.170 0.001 0.000 0.298 319 I C -0.202 175.891 176.117 -0.040 0.000 1.304 319 I CA -0.717 60.533 61.300 -0.083 0.000 1.019 319 I CB 0.962 38.923 38.000 -0.065 0.000 1.282 319 I HN 0.521 nan 8.210 nan 0.000 0.432 320 G N 3.357 112.154 108.800 -0.005 0.000 2.502 320 G HA2 0.453 4.414 3.960 0.001 0.000 0.305 320 G HA3 0.453 4.414 3.960 0.001 0.000 0.305 320 G C -0.827 174.083 174.900 0.017 0.000 1.190 320 G CA -0.601 44.505 45.100 0.009 0.000 0.933 320 G HN 0.720 nan 8.290 nan 0.000 0.503 321 Q N 0.445 120.260 119.800 0.025 0.000 2.337 321 Q HA 0.316 4.656 4.340 0.001 0.000 0.255 321 Q C -0.111 175.895 176.000 0.011 0.000 0.997 321 Q CA 0.230 56.045 55.803 0.020 0.000 0.925 321 Q CB 1.033 29.802 28.738 0.050 0.000 1.212 321 Q HN 0.385 nan 8.270 nan 0.000 0.436 322 R N 2.347 122.844 120.500 -0.005 0.000 2.808 322 R HA 0.712 5.053 4.340 0.001 0.000 0.272 322 R C -0.995 175.323 176.300 0.029 0.000 0.995 322 R CA -0.894 55.216 56.100 0.017 0.000 0.917 322 R CB 2.141 32.455 30.300 0.023 0.000 1.217 322 R HN 0.546 nan 8.270 nan 0.000 0.471 323 I N 0.031 120.642 120.570 0.068 0.000 2.842 323 I HA 0.302 4.473 4.170 0.001 0.000 0.297 323 I C -1.059 175.144 176.117 0.145 0.000 1.380 323 I CA -0.720 60.660 61.300 0.134 0.000 1.018 323 I CB 1.962 40.050 38.000 0.147 0.000 1.311 323 I HN 0.685 nan 8.210 nan 0.000 0.439 324 C N 4.602 124.032 119.300 0.216 0.000 2.534 324 C HA 0.476 4.936 4.460 0.001 0.000 0.385 324 C C 1.780 176.886 174.990 0.194 0.000 1.264 324 C CA 0.120 59.257 59.018 0.198 0.000 2.342 324 C CB 0.957 28.836 27.740 0.233 0.000 2.564 324 C HN 0.891 nan 8.230 nan 0.000 0.603 325 A N 1.801 124.692 122.820 0.119 0.000 2.014 325 A HA 0.048 4.368 4.320 0.001 0.000 0.218 325 A C 0.805 178.415 177.584 0.043 0.000 1.163 325 A CA 1.529 53.605 52.037 0.064 0.000 0.652 325 A CB -0.032 18.994 19.000 0.043 0.000 0.808 325 A HN 0.828 nan 8.150 nan 0.000 0.449 326 K N -2.585 117.883 120.400 0.113 0.000 2.532 326 K HA 0.519 4.839 4.320 0.001 0.000 0.265 326 K C -0.869 175.929 176.600 0.330 0.000 0.948 326 K CA -0.527 55.821 56.287 0.102 0.000 0.842 326 K CB 0.978 33.522 32.500 0.074 0.000 1.392 326 K HN 0.153 nan 8.250 nan 0.000 0.436 327 Y N 0.911 121.247 120.300 0.059 0.000 2.524 327 Y HA 0.139 4.689 4.550 0.000 0.000 0.266 327 Y C -0.035 176.002 175.900 0.228 0.000 1.180 327 Y CA -0.734 57.454 58.100 0.146 0.000 1.244 327 Y CB 0.684 39.209 38.460 0.109 0.000 1.125 327 Y HN 0.639 nan 8.280 nan 0.000 0.524 328 D N -2.284 118.271 120.400 0.258 0.000 2.744 328 D HA 0.014 4.654 4.640 0.001 0.000 0.304 328 D C -0.248 176.052 176.300 0.001 0.000 1.179 328 D CA -0.722 53.313 54.000 0.058 0.000 1.024 328 D CB 0.167 40.953 40.800 -0.024 0.000 1.453 328 D HN -0.040 nan 8.370 nan 0.000 0.529 329 D N -0.512 119.833 120.400 -0.091 0.000 2.325 329 D HA 0.064 4.705 4.640 0.001 0.000 0.234 329 D C -0.205 176.100 176.300 0.008 0.000 1.122 329 D CA -0.227 53.756 54.000 -0.027 0.000 0.850 329 D CB -0.303 40.476 40.800 -0.036 0.000 0.921 329 D HN 0.108 nan 8.370 nan 0.000 0.513 330 V N 1.428 121.354 119.914 0.020 0.000 2.383 330 V HA 0.016 4.136 4.120 0.001 0.000 0.275 330 V C 1.727 177.838 176.094 0.029 0.000 1.036 330 V CA -0.642 61.683 62.300 0.041 0.000 0.889 330 V CB 1.583 33.471 31.823 0.108 0.000 0.985 330 V HN -0.059 nan 8.190 nan 0.000 0.459 331 V N 2.983 122.903 119.914 0.010 0.000 2.332 331 V HA -0.156 3.964 4.120 0.001 0.000 0.248 331 V C 0.862 176.954 176.094 -0.003 0.000 1.055 331 V CA 1.248 63.550 62.300 0.003 0.000 1.038 331 V CB -0.567 31.251 31.823 -0.009 0.000 0.651 331 V HN 0.924 nan 8.190 nan 0.000 0.450 332 D N 0.517 120.909 120.400 -0.013 0.000 2.586 332 D HA 0.120 4.760 4.640 0.001 0.000 0.234 332 D C 1.108 177.391 176.300 -0.029 0.000 1.132 332 D CA 0.869 54.852 54.000 -0.029 0.000 0.860 332 D CB 1.047 41.816 40.800 -0.051 0.000 1.159 332 D HN 0.267 nan 8.370 nan 0.000 0.490 333 A N 2.860 125.662 122.820 -0.029 0.000 1.902 333 A HA -0.056 4.264 4.320 0.001 0.000 0.217 333 A C 0.920 178.475 177.584 -0.048 0.000 1.181 333 A CA 0.884 52.903 52.037 -0.030 0.000 0.623 333 A CB 0.327 19.312 19.000 -0.026 0.000 0.818 333 A HN 0.405 nan 8.150 nan 0.000 0.443 334 V N -0.242 119.636 119.914 -0.061 0.000 2.419 334 V HA 0.573 4.693 4.120 0.001 0.000 0.287 334 V C 0.192 176.215 176.094 -0.119 0.000 1.017 334 V CA -0.763 61.488 62.300 -0.082 0.000 0.844 334 V CB 0.725 32.508 31.823 -0.066 0.000 1.011 334 V HN 0.566 nan 8.190 nan 0.000 0.429 335 A N 4.123 126.828 122.820 -0.192 0.000 2.445 335 A HA 0.680 5.000 4.320 0.001 0.000 0.242 335 A C 0.683 178.095 177.584 -0.286 0.000 1.075 335 A CA 0.572 52.400 52.037 -0.348 0.000 0.777 335 A CB 0.346 18.834 19.000 -0.854 0.000 1.013 335 A HN 1.036 nan 8.150 nan 0.000 0.493 336 T N -1.058 113.355 114.554 -0.236 0.000 2.858 336 T HA 0.635 4.986 4.350 0.001 0.000 0.285 336 T C -2.395 172.245 174.700 -0.100 0.000 1.052 336 T CA -1.532 60.489 62.100 -0.131 0.000 1.009 336 T CB 1.231 70.055 68.868 -0.074 0.000 1.241 336 T HN 0.203 nan 8.240 nan 0.000 0.542 337 P HA 0.004 nan 4.420 nan 0.000 0.226 337 P C 0.557 177.870 177.300 0.022 0.000 1.146 337 P CA 0.985 64.094 63.100 0.015 0.000 0.773 337 P CB -0.077 31.636 31.700 0.020 0.000 0.772 338 D N -3.049 117.350 120.400 -0.002 0.000 2.398 338 D HA 0.049 4.689 4.640 0.001 0.000 0.210 338 D C 0.202 176.504 176.300 0.003 0.000 1.094 338 D CA 0.026 54.029 54.000 0.005 0.000 0.839 338 D CB -0.473 40.324 40.800 -0.005 0.000 0.963 338 D HN -0.128 nan 8.370 nan 0.000 0.506 339 S N 1.489 117.183 115.700 -0.009 0.000 2.593 339 S HA 0.374 4.844 4.470 0.001 0.000 0.269 339 S C -2.248 172.398 174.600 0.076 0.000 1.334 339 S CA -0.776 57.421 58.200 -0.005 0.000 1.015 339 S CB 0.816 63.958 63.200 -0.097 0.000 0.912 339 S HN 0.129 nan 8.310 nan 0.000 0.541 340 P HA 0.211 nan 4.420 nan 0.000 0.272 340 P C -0.818 176.569 177.300 0.144 0.000 1.230 340 P CA -0.253 62.879 63.100 0.053 0.000 0.788 340 P CB 0.366 32.048 31.700 -0.030 0.000 0.949 341 L N 3.808 125.083 121.223 0.088 0.000 2.350 341 L HA 0.375 4.716 4.340 0.001 0.000 0.275 341 L C -1.732 175.143 176.870 0.008 0.000 1.099 341 L CA -1.932 52.919 54.840 0.019 0.000 0.808 341 L CB 0.542 42.610 42.059 0.015 0.000 1.149 341 L HN 0.288 nan 8.230 nan 0.000 0.442 342 P HA 0.176 nan 4.420 nan 0.000 0.275 342 P C -0.515 176.741 177.300 -0.073 0.000 1.228 342 P CA -0.385 62.635 63.100 -0.132 0.000 0.786 342 P CB 1.601 33.159 31.700 -0.238 0.000 0.927 343 R N 0.679 121.056 120.500 -0.205 0.000 2.507 343 R HA 0.264 4.604 4.340 0.001 0.000 0.230 343 R C -0.208 176.005 176.300 -0.145 0.000 0.897 343 R CA 0.257 56.310 56.100 -0.078 0.000 1.006 343 R CB 0.520 30.748 30.300 -0.120 0.000 1.341 343 R HN 0.312 nan 8.270 nan 0.000 0.604 344 V N 2.198 121.869 119.914 -0.404 0.000 2.588 344 V HA 0.497 4.618 4.120 0.001 0.000 0.304 344 V C -0.939 174.845 176.094 -0.516 0.000 1.042 344 V CA -0.719 61.412 62.300 -0.281 0.000 0.877 344 V CB 1.868 33.625 31.823 -0.111 0.000 0.996 344 V HN -0.102 nan 8.190 nan 0.000 0.425 345 F N 4.281 124.267 119.950 0.059 0.000 2.579 345 F HA 0.789 5.316 4.527 0.001 0.000 0.324 345 F C 0.059 175.899 175.800 0.066 0.000 1.058 345 F CA -1.063 56.987 58.000 0.084 0.000 0.944 345 F CB 1.809 40.775 39.000 -0.056 0.000 1.245 345 F HN 0.398 nan 8.300 nan 0.000 0.477 346 I N 0.195 120.952 120.570 0.312 0.000 2.608 346 I HA 0.982 5.153 4.170 0.001 0.000 0.295 346 I C -1.029 175.159 176.117 0.118 0.000 1.049 346 I CA -0.980 60.401 61.300 0.135 0.000 1.063 346 I CB 1.926 39.952 38.000 0.043 0.000 1.248 346 I HN 0.653 nan 8.210 nan 0.000 0.424 347 A N 3.452 126.300 122.820 0.048 0.000 2.515 347 A HA 0.980 5.300 4.320 0.001 0.000 0.296 347 A C 0.206 177.780 177.584 -0.016 0.000 1.094 347 A CA -0.151 51.929 52.037 0.071 0.000 0.718 347 A CB 1.049 20.118 19.000 0.114 0.000 1.307 347 A HN 1.930 nan 8.150 nan 0.000 0.408 348 G N 0.793 109.593 108.800 0.000 0.000 2.539 348 G HA2 -0.225 3.735 3.960 0.001 0.000 0.256 348 G HA3 -0.225 3.735 3.960 0.001 0.000 0.256 348 G C 0.293 174.980 174.900 -0.353 0.000 1.233 348 G CA 0.769 45.793 45.100 -0.127 0.000 0.936 348 G HN 0.823 nan 8.290 nan 0.000 0.571 349 D N 0.728 121.001 120.400 -0.211 0.000 2.265 349 D HA 0.125 4.765 4.640 0.001 0.000 0.208 349 D C 2.635 178.861 176.300 -0.122 0.000 0.977 349 D CA 1.944 55.843 54.000 -0.169 0.000 0.871 349 D CB -0.608 40.172 40.800 -0.035 0.000 0.925 349 D HN 0.904 nan 8.370 nan 0.000 0.485 350 A N 0.040 122.800 122.820 -0.101 0.000 2.070 350 A HA -0.151 4.170 4.320 0.001 0.000 0.220 350 A C 2.135 179.670 177.584 -0.081 0.000 1.159 350 A CA 1.547 53.547 52.037 -0.063 0.000 0.656 350 A CB -0.410 18.565 19.000 -0.041 0.000 0.800 350 A HN 0.509 nan 8.150 nan 0.000 0.453 351 C N -3.462 115.746 119.300 -0.153 0.000 3.724 351 C HA 0.574 5.034 4.460 0.001 0.000 0.327 351 C C 0.269 175.298 174.990 0.064 0.000 1.490 351 C CA 0.061 58.996 59.018 -0.139 0.000 1.825 351 C CB -1.512 25.891 27.740 -0.562 0.000 2.613 351 C HN 0.763 nan 8.230 nan 0.000 0.692 352 H N -0.794 118.242 119.070 -0.056 0.000 3.154 352 H HA 0.578 5.134 4.556 0.000 0.000 0.330 352 H C -0.956 174.333 175.328 -0.065 0.000 1.033 352 H CA -0.007 56.022 56.048 -0.032 0.000 1.393 352 H CB 0.207 30.015 29.762 0.077 0.000 1.951 352 H HN 0.156 nan 8.280 nan 0.000 0.466 353 T N 1.395 115.885 114.554 -0.105 0.000 2.792 353 T HA 0.363 4.713 4.350 0.001 0.000 0.280 353 T C -0.684 173.933 174.700 -0.137 0.000 0.990 353 T CA -0.900 61.160 62.100 -0.067 0.000 0.960 353 T CB 1.055 69.925 68.868 0.005 0.000 0.939 353 T HN 0.710 nan 8.240 nan 0.000 0.439 354 H N 2.048 121.221 119.070 0.172 0.000 2.458 354 H HA 0.450 5.006 4.556 0.001 0.000 0.330 354 H C 0.784 176.190 175.328 0.129 0.000 1.111 354 H CA -0.521 55.619 56.048 0.154 0.000 1.245 354 H CB 1.740 31.597 29.762 0.158 0.000 1.456 354 H HN 0.914 nan 8.280 nan 0.000 0.488 355 S N 2.870 118.693 115.700 0.205 0.000 2.566 355 S HA -0.012 4.458 4.470 0.001 0.000 0.280 355 S C -1.733 172.962 174.600 0.159 0.000 1.343 355 S CA -0.947 57.337 58.200 0.140 0.000 1.036 355 S CB 0.863 64.140 63.200 0.128 0.000 0.866 355 S HN 0.400 nan 8.310 nan 0.000 0.526 356 P HA -0.083 nan 4.420 nan 0.000 0.219 356 P C 1.035 178.343 177.300 0.014 0.000 1.146 356 P CA 1.255 64.407 63.100 0.087 0.000 0.808 356 P CB 0.043 31.713 31.700 -0.050 0.000 0.779 357 K N -0.425 120.030 120.400 0.091 0.000 2.097 357 K HA -0.060 4.261 4.320 0.001 0.000 0.205 357 K C 2.142 178.839 176.600 0.162 0.000 1.050 357 K CA 1.305 57.645 56.287 0.089 0.000 0.938 357 K CB -0.673 31.878 32.500 0.084 0.000 0.718 357 K HN 0.041 nan 8.250 nan 0.000 0.442 358 A N 0.965 123.898 122.820 0.188 0.000 1.958 358 A HA -0.138 4.182 4.320 0.001 0.000 0.221 358 A C 1.781 179.482 177.584 0.195 0.000 1.178 358 A CA 1.853 54.025 52.037 0.224 0.000 0.642 358 A CB -1.059 18.043 19.000 0.170 0.000 0.816 358 A HN 0.498 nan 8.150 nan 0.000 0.453 359 G N -2.196 106.674 108.800 0.116 0.000 2.160 359 G HA2 -0.292 3.668 3.960 0.001 0.000 0.251 359 G HA3 -0.292 3.668 3.960 0.001 0.000 0.251 359 G C 0.672 175.561 174.900 -0.019 0.000 1.008 359 G CA 0.761 45.885 45.100 0.039 0.000 0.724 359 G HN 0.485 nan 8.290 nan 0.000 0.514 360 Q N -0.493 119.305 119.800 -0.003 0.000 2.302 360 Q HA 0.249 4.589 4.340 0.001 0.000 0.202 360 Q C 2.287 178.325 176.000 0.064 0.000 0.936 360 Q CA 1.497 57.284 55.803 -0.026 0.000 0.886 360 Q CB -0.185 28.485 28.738 -0.113 0.000 0.986 360 Q HN 1.553 nan 8.270 nan 0.000 0.487 361 G N 2.158 111.019 108.800 0.102 0.000 2.634 361 G HA2 -0.395 3.565 3.960 0.001 0.000 0.309 361 G HA3 -0.395 3.565 3.960 0.001 0.000 0.309 361 G C 0.812 175.798 174.900 0.143 0.000 1.265 361 G CA 1.031 46.197 45.100 0.110 0.000 0.998 361 G HN 0.483 nan 8.290 nan 0.000 0.551 362 M N 0.375 120.051 119.600 0.125 0.000 2.495 362 M HA 0.310 4.791 4.480 0.001 0.000 0.237 362 M C 1.699 178.099 176.300 0.166 0.000 1.131 362 M CA 1.210 56.600 55.300 0.149 0.000 1.032 362 M CB -0.086 32.602 32.600 0.146 0.000 1.513 362 M HN 0.417 nan 8.290 nan 0.000 0.488 363 N N 1.332 120.119 118.700 0.145 0.000 2.084 363 N HA -0.133 4.607 4.740 0.001 0.000 0.190 363 N C 1.456 177.113 175.510 0.246 0.000 1.030 363 N CA 1.542 54.672 53.050 0.133 0.000 0.849 363 N CB -0.436 38.091 38.487 0.066 0.000 1.012 363 N HN 0.350 nan 8.380 nan 0.000 0.423 364 F N 2.211 122.224 119.950 0.104 0.000 2.186 364 F HA -0.019 4.508 4.527 0.000 0.000 0.299 364 F C 2.536 178.505 175.800 0.281 0.000 1.090 364 F CA 0.618 58.723 58.000 0.175 0.000 1.307 364 F CB -0.419 38.688 39.000 0.179 0.000 1.019 364 F HN -0.075 nan 8.300 nan 0.000 0.489 365 S N 0.073 115.972 115.700 0.331 0.000 2.370 365 S HA -0.244 4.226 4.470 0.001 0.000 0.226 365 S C 2.106 176.801 174.600 0.159 0.000 1.033 365 S CA 1.641 59.965 58.200 0.207 0.000 1.011 365 S CB -0.357 62.915 63.200 0.121 0.000 0.852 365 S HN 0.361 nan 8.310 nan 0.000 0.457 366 M N 0.790 120.485 119.600 0.159 0.000 2.296 366 M HA -0.058 4.422 4.480 0.001 0.000 0.265 366 M C 2.077 178.485 176.300 0.179 0.000 1.064 366 M CA 0.897 56.289 55.300 0.153 0.000 1.109 366 M CB -0.306 32.398 32.600 0.174 0.000 1.396 366 M HN 0.172 nan 8.290 nan 0.000 0.430 367 Q N 0.482 120.374 119.800 0.152 0.000 2.230 367 Q HA -0.121 4.220 4.340 0.001 0.000 0.202 367 Q C 1.372 177.484 176.000 0.187 0.000 0.963 367 Q CA 1.170 57.090 55.803 0.195 0.000 0.866 367 Q CB -0.380 28.416 28.738 0.097 0.000 0.931 367 Q HN 0.497 nan 8.270 nan 0.000 0.452 368 D N -0.096 120.385 120.400 0.136 0.000 2.097 368 D HA -0.084 4.557 4.640 0.001 0.000 0.195 368 D C 1.888 178.360 176.300 0.287 0.000 0.989 368 D CA 1.186 55.339 54.000 0.254 0.000 0.827 368 D CB -0.053 40.929 40.800 0.304 0.000 0.966 368 D HN 0.065 nan 8.370 nan 0.000 0.456 369 S N 0.016 115.831 115.700 0.192 0.000 2.382 369 S HA -0.123 4.348 4.470 0.001 0.000 0.228 369 S C 1.635 176.372 174.600 0.227 0.000 1.027 369 S CA 0.286 58.557 58.200 0.118 0.000 0.991 369 S CB -0.271 62.973 63.200 0.073 0.000 0.823 369 S HN 0.197 nan 8.310 nan 0.000 0.469 370 F N 3.258 123.298 119.950 0.150 0.000 2.293 370 F HA 0.014 4.541 4.527 0.000 0.000 0.300 370 F C 2.078 178.038 175.800 0.267 0.000 1.086 370 F CA 0.543 58.682 58.000 0.231 0.000 1.375 370 F CB -0.528 38.631 39.000 0.266 0.000 1.045 370 F HN 0.200 nan 8.300 nan 0.000 0.516 371 N N 0.498 119.349 118.700 0.252 0.000 2.135 371 N HA -0.146 4.594 4.740 0.001 0.000 0.186 371 N C 1.971 177.365 175.510 -0.193 0.000 1.027 371 N CA 1.250 54.373 53.050 0.123 0.000 0.849 371 N CB -0.342 38.244 38.487 0.164 0.000 1.002 371 N HN 0.387 nan 8.380 nan 0.000 0.425 372 L N 1.273 122.365 121.223 -0.217 0.000 2.131 372 L HA 0.183 4.523 4.340 0.001 0.000 0.206 372 L C 2.251 178.802 176.870 -0.531 0.000 1.087 372 L CA 1.620 56.109 54.840 -0.584 0.000 0.767 372 L CB -1.152 40.344 42.059 -0.939 0.000 0.917 372 L HN 0.173 nan 8.230 nan 0.000 0.441 373 G N 0.469 109.129 108.800 -0.234 0.000 2.586 373 G HA2 -0.353 3.607 3.960 0.001 0.000 0.218 373 G HA3 -0.353 3.607 3.960 0.001 0.000 0.218 373 G C 1.408 176.293 174.900 -0.025 0.000 1.216 373 G CA 1.254 46.319 45.100 -0.059 0.000 0.786 373 G HN 0.706 nan 8.290 nan 0.000 0.583 374 W N 1.301 122.544 121.300 -0.094 0.000 2.392 374 W HA 0.058 4.719 4.660 0.001 0.000 0.279 374 W C 1.912 178.324 176.519 -0.178 0.000 1.225 374 W CA 1.101 58.373 57.345 -0.122 0.000 1.233 374 W CB -0.594 28.744 29.460 -0.204 0.000 1.122 374 W HN 0.241 nan 8.180 nan 0.000 0.561 375 K N 0.964 120.839 120.400 -0.874 0.000 2.057 375 K HA -0.074 4.247 4.320 0.001 0.000 0.206 375 K C 2.367 178.657 176.600 -0.516 0.000 1.050 375 K CA 1.570 57.329 56.287 -0.880 0.000 0.935 375 K CB -0.493 31.334 32.500 -1.122 0.000 0.715 375 K HN 0.153 nan 8.250 nan 0.000 0.439 376 L N 0.705 121.610 121.223 -0.529 0.000 2.046 376 L HA -0.197 4.143 4.340 0.001 0.000 0.208 376 L C 2.616 179.312 176.870 -0.289 0.000 1.077 376 L CA 1.149 55.696 54.840 -0.488 0.000 0.747 376 L CB -0.568 41.206 42.059 -0.476 0.000 0.896 376 L HN 0.231 nan 8.230 nan 0.000 0.432 377 A N -0.091 122.602 122.820 -0.211 0.000 1.902 377 A HA -0.173 4.147 4.320 0.001 0.000 0.217 377 A C 2.511 179.952 177.584 -0.238 0.000 1.181 377 A CA 1.736 53.628 52.037 -0.241 0.000 0.623 377 A CB -0.696 18.021 19.000 -0.472 0.000 0.818 377 A HN 0.411 nan 8.150 nan 0.000 0.443 378 A N -0.625 122.096 122.820 -0.165 0.000 1.902 378 A HA 0.018 4.338 4.320 0.001 0.000 0.217 378 A C 2.230 179.767 177.584 -0.077 0.000 1.181 378 A CA 1.783 53.773 52.037 -0.078 0.000 0.623 378 A CB -0.878 18.173 19.000 0.085 0.000 0.818 378 A HN 0.384 nan 8.150 nan 0.000 0.443 379 V N 0.017 119.863 119.914 -0.113 0.000 2.358 379 V HA -0.229 3.891 4.120 0.001 0.000 0.246 379 V C 2.538 178.613 176.094 -0.032 0.000 1.047 379 V CA 1.845 64.098 62.300 -0.078 0.000 1.035 379 V CB -0.754 30.986 31.823 -0.138 0.000 0.658 379 V HN 0.559 nan 8.190 nan 0.000 0.452 380 L N -0.474 120.723 121.223 -0.043 0.000 2.131 380 L HA -0.145 4.196 4.340 0.001 0.000 0.210 380 L C 2.521 179.381 176.870 -0.016 0.000 1.092 380 L CA 1.511 56.359 54.840 0.012 0.000 0.759 380 L CB -0.437 41.635 42.059 0.021 0.000 0.903 380 L HN 0.225 nan 8.230 nan 0.000 0.435 381 R N -0.071 120.396 120.500 -0.053 0.000 2.313 381 R HA -0.003 4.337 4.340 0.001 0.000 0.199 381 R C 0.138 176.418 176.300 -0.034 0.000 0.958 381 R CA -0.055 56.014 56.100 -0.053 0.000 1.047 381 R CB 0.203 30.444 30.300 -0.099 0.000 0.955 381 R HN 0.058 nan 8.270 nan 0.000 0.481 382 K N -0.053 120.333 120.400 -0.023 0.000 3.160 382 K HA -0.258 4.063 4.320 0.001 0.000 0.280 382 K C 0.313 176.905 176.600 -0.013 0.000 1.154 382 K CA 0.979 57.259 56.287 -0.010 0.000 0.822 382 K CB -1.795 30.703 32.500 -0.003 0.000 1.239 382 K HN 0.488 nan 8.250 nan 0.000 0.489 383 Q N -1.275 118.507 119.800 -0.029 0.000 2.402 383 Q HA 0.103 4.443 4.340 0.001 0.000 0.206 383 Q C 0.421 176.382 176.000 -0.065 0.000 0.919 383 Q CA 0.652 56.429 55.803 -0.043 0.000 0.923 383 Q CB 0.673 29.375 28.738 -0.060 0.000 1.048 383 Q HN 0.354 nan 8.270 nan 0.000 0.515 384 C N 0.112 119.401 119.300 -0.018 0.000 2.898 384 C HA 0.728 5.188 4.460 0.001 0.000 0.304 384 C C -0.027 174.978 174.990 0.026 0.000 1.237 384 C CA -1.447 57.587 59.018 0.027 0.000 1.529 384 C CB 1.407 29.239 27.740 0.153 0.000 2.021 384 C HN 0.435 nan 8.230 nan 0.000 0.474 385 A N 3.085 125.935 122.820 0.049 0.000 2.462 385 A HA 0.407 4.728 4.320 0.001 0.000 0.243 385 A C -1.592 176.008 177.584 0.027 0.000 1.076 385 A CA -0.461 51.601 52.037 0.042 0.000 0.773 385 A CB -0.217 18.820 19.000 0.061 0.000 1.010 385 A HN 0.732 nan 8.150 nan 0.000 0.493 386 P HA -0.137 nan 4.420 nan 0.000 0.219 386 P C 0.763 178.033 177.300 -0.050 0.000 1.146 386 P CA 1.251 64.351 63.100 -0.001 0.000 0.808 386 P CB 0.197 31.921 31.700 0.039 0.000 0.779 387 E N -0.809 119.392 120.200 0.002 0.000 2.267 387 E HA -0.165 4.185 4.350 0.001 0.000 0.197 387 E C 1.704 178.314 176.600 0.017 0.000 0.998 387 E CA 0.507 56.938 56.400 0.051 0.000 0.830 387 E CB -1.136 28.654 29.700 0.150 0.000 0.751 387 E HN 0.165 nan 8.360 nan 0.000 0.491 388 L N 0.214 121.418 121.223 -0.031 0.000 2.079 388 L HA -0.166 4.174 4.340 0.001 0.000 0.210 388 L C 1.671 178.441 176.870 -0.166 0.000 1.081 388 L CA 1.571 56.346 54.840 -0.107 0.000 0.752 388 L CB -0.269 41.716 42.059 -0.123 0.000 0.896 388 L HN 0.180 nan 8.230 nan 0.000 0.433 389 L N -1.232 119.884 121.223 -0.180 0.000 2.261 389 L HA -0.219 4.121 4.340 0.001 0.000 0.216 389 L C 2.470 179.343 176.870 0.005 0.000 1.114 389 L CA 0.675 55.422 54.840 -0.156 0.000 0.777 389 L CB -1.064 40.950 42.059 -0.075 0.000 0.910 389 L HN 0.423 nan 8.230 nan 0.000 0.440 390 H N -0.245 118.854 119.070 0.049 0.000 2.456 390 H HA -0.112 4.445 4.556 0.000 0.000 0.296 390 H C 2.432 177.753 175.328 -0.011 0.000 1.079 390 H CA 1.902 57.979 56.048 0.049 0.000 1.322 390 H CB -0.319 29.449 29.762 0.010 0.000 1.388 390 H HN 0.461 nan 8.280 nan 0.000 0.538 391 T N -1.545 113.032 114.554 0.038 0.000 3.007 391 T HA -0.182 4.168 4.350 0.001 0.000 0.270 391 T C 1.970 176.589 174.700 -0.135 0.000 1.107 391 T CA 0.754 62.801 62.100 -0.088 0.000 1.118 391 T CB -0.600 68.169 68.868 -0.164 0.000 0.889 391 T HN 0.317 nan 8.240 nan 0.000 0.506 392 Y N 2.262 122.454 120.300 -0.180 0.000 2.089 392 Y HA -0.044 4.506 4.550 0.000 0.000 0.282 392 Y C 2.859 178.700 175.900 -0.098 0.000 1.139 392 Y CA 1.482 59.473 58.100 -0.181 0.000 1.123 392 Y CB -0.989 37.358 38.460 -0.189 0.000 0.980 392 Y HN 0.260 nan 8.280 nan 0.000 0.493 393 S N -0.483 115.076 115.700 -0.235 0.000 2.356 393 S HA -0.202 4.268 4.470 0.001 0.000 0.223 393 S C 2.334 176.682 174.600 -0.420 0.000 1.032 393 S CA 1.987 59.949 58.200 -0.397 0.000 1.005 393 S CB -1.022 62.140 63.200 -0.063 0.000 0.867 393 S HN 0.754 nan 8.310 nan 0.000 0.449 394 S N 0.605 116.163 115.700 -0.237 0.000 2.399 394 S HA -0.086 4.384 4.470 0.001 0.000 0.231 394 S C 1.679 176.131 174.600 -0.247 0.000 1.022 394 S CA 1.266 59.341 58.200 -0.209 0.000 0.983 394 S CB -0.553 62.570 63.200 -0.128 0.000 0.803 394 S HN 0.686 nan 8.310 nan 0.000 0.480 395 E N 0.644 120.651 120.200 -0.322 0.000 2.042 395 E HA 0.074 4.424 4.350 0.001 0.000 0.189 395 E C 2.547 178.997 176.600 -0.250 0.000 0.974 395 E CA 0.450 56.637 56.400 -0.356 0.000 0.806 395 E CB -0.024 29.241 29.700 -0.725 0.000 0.769 395 E HN 0.264 nan 8.360 nan 0.000 0.451 396 R N 0.894 121.151 120.500 -0.404 0.000 2.092 396 R HA -0.060 4.280 4.340 0.001 0.000 0.231 396 R C 2.209 178.226 176.300 -0.470 0.000 1.119 396 R CA 0.866 56.749 56.100 -0.362 0.000 0.970 396 R CB -0.528 29.535 30.300 -0.396 0.000 0.864 396 R HN 0.227 nan 8.270 nan 0.000 0.440 397 Q N 0.951 120.229 119.800 -0.869 0.000 2.079 397 Q HA -0.050 4.291 4.340 0.001 0.000 0.200 397 Q C 2.042 177.854 176.000 -0.314 0.000 0.974 397 Q CA 1.304 56.577 55.803 -0.884 0.000 0.840 397 Q CB 0.011 28.171 28.738 -0.964 0.000 0.898 397 Q HN 0.108 nan 8.270 nan 0.000 0.430 398 V N 1.198 120.972 119.914 -0.233 0.000 2.295 398 V HA -0.236 3.884 4.120 0.001 0.000 0.246 398 V C 2.632 178.714 176.094 -0.020 0.000 1.049 398 V CA 1.840 64.083 62.300 -0.096 0.000 1.024 398 V CB -0.983 30.797 31.823 -0.072 0.000 0.648 398 V HN 0.439 nan 8.190 nan 0.000 0.447 399 V N -1.031 118.900 119.914 0.027 0.000 2.626 399 V HA -0.048 4.072 4.120 0.001 0.000 0.252 399 V C 2.376 178.569 176.094 0.165 0.000 1.067 399 V CA 1.732 64.093 62.300 0.101 0.000 1.081 399 V CB -1.151 30.776 31.823 0.173 0.000 0.686 399 V HN 0.376 nan 8.190 nan 0.000 0.468 400 A N 0.143 123.088 122.820 0.210 0.000 1.929 400 A HA -0.147 4.173 4.320 0.001 0.000 0.216 400 A C 2.245 179.945 177.584 0.193 0.000 1.176 400 A CA 1.791 54.031 52.037 0.338 0.000 0.628 400 A CB -0.521 18.591 19.000 0.186 0.000 0.816 400 A HN 0.600 nan 8.150 nan 0.000 0.444 401 Q N 0.015 119.868 119.800 0.089 0.000 2.079 401 Q HA -0.148 4.192 4.340 0.001 0.000 0.200 401 Q C 2.048 178.077 176.000 0.049 0.000 0.974 401 Q CA 2.100 57.942 55.803 0.066 0.000 0.840 401 Q CB -0.424 28.329 28.738 0.025 0.000 0.898 401 Q HN 0.731 nan 8.270 nan 0.000 0.430 402 Q N -0.574 119.237 119.800 0.017 0.000 2.170 402 Q HA -0.134 4.207 4.340 0.001 0.000 0.203 402 Q C 1.925 177.893 176.000 -0.054 0.000 0.976 402 Q CA 1.230 57.031 55.803 -0.004 0.000 0.858 402 Q CB -0.131 28.594 28.738 -0.022 0.000 0.907 402 Q HN 0.341 nan 8.270 nan 0.000 0.433 403 L N 0.493 121.633 121.223 -0.139 0.000 2.056 403 L HA -0.138 4.202 4.340 0.001 0.000 0.207 403 L C 1.901 178.764 176.870 -0.012 0.000 1.078 403 L CA 1.502 56.162 54.840 -0.300 0.000 0.749 403 L CB -0.172 41.590 42.059 -0.494 0.000 0.901 403 L HN 0.197 nan 8.230 nan 0.000 0.433 404 I N -0.634 120.000 120.570 0.107 0.000 2.252 404 I HA -0.263 3.907 4.170 0.001 0.000 0.245 404 I C 1.980 178.175 176.117 0.130 0.000 1.102 404 I CA 1.170 62.565 61.300 0.159 0.000 1.385 404 I CB -0.538 37.545 38.000 0.139 0.000 1.064 404 I HN 0.271 nan 8.210 nan 0.000 0.414 405 D N 0.718 121.183 120.400 0.109 0.000 2.123 405 D HA -0.237 4.403 4.640 0.001 0.000 0.196 405 D C 1.936 178.326 176.300 0.150 0.000 0.992 405 D CA 1.442 55.507 54.000 0.107 0.000 0.833 405 D CB -0.377 40.480 40.800 0.095 0.000 0.954 405 D HN 0.293 nan 8.370 nan 0.000 0.455 406 F N 1.888 121.867 119.950 0.048 0.000 2.113 406 F HA -0.150 4.377 4.527 0.001 0.000 0.297 406 F C 1.599 177.517 175.800 0.196 0.000 1.103 406 F CA 1.241 59.316 58.000 0.125 0.000 1.248 406 F CB 0.058 39.096 39.000 0.064 0.000 0.999 406 F HN -0.229 nan 8.300 nan 0.000 0.475 407 D N -0.173 120.413 120.400 0.309 0.000 2.371 407 D HA -0.065 4.575 4.640 0.001 0.000 0.221 407 D C 2.228 178.592 176.300 0.106 0.000 0.986 407 D CA 0.368 54.528 54.000 0.267 0.000 0.899 407 D CB -0.260 40.723 40.800 0.306 0.000 0.902 407 D HN 0.271 nan 8.370 nan 0.000 0.530 408 R N 0.450 120.991 120.500 0.069 0.000 2.093 408 R HA -0.023 4.318 4.340 0.001 0.000 0.224 408 R C 1.512 177.796 176.300 -0.026 0.000 1.101 408 R CA 0.801 56.918 56.100 0.028 0.000 0.979 408 R CB 0.255 30.579 30.300 0.041 0.000 0.877 408 R HN 0.164 nan 8.270 nan 0.000 0.441 409 E N -0.802 119.360 120.200 -0.063 0.000 2.216 409 E HA -0.116 4.234 4.350 0.001 0.000 0.192 409 E C 1.525 177.990 176.600 -0.225 0.000 0.973 409 E CA 0.100 56.425 56.400 -0.125 0.000 0.851 409 E CB -0.241 29.405 29.700 -0.089 0.000 0.804 409 E HN 0.435 nan 8.360 nan 0.000 0.477 410 W N 1.773 122.738 121.300 -0.558 0.000 2.632 410 W HA -0.009 4.652 4.660 0.001 0.000 0.248 410 W C 0.172 176.458 176.519 -0.388 0.000 1.259 410 W CA 0.567 57.523 57.345 -0.647 0.000 1.288 410 W CB 0.332 29.444 29.460 -0.581 0.000 1.136 410 W HN -0.134 nan 8.180 nan 0.000 0.640 411 A N 2.649 125.321 122.820 -0.247 0.000 2.807 411 A HA 0.341 4.661 4.320 0.001 0.000 0.307 411 A C -0.230 177.213 177.584 -0.234 0.000 1.532 411 A CA 0.303 52.178 52.037 -0.271 0.000 1.215 411 A CB -0.205 18.714 19.000 -0.135 0.000 1.127 411 A HN 0.338 nan 8.150 nan 0.000 0.543 428 P HA -0.130 nan 4.420 nan 0.000 0.218 428 P C 1.197 178.581 177.300 0.141 0.000 1.149 428 P CA 1.293 64.448 63.100 0.092 0.000 0.817 428 P CB 0.072 31.787 31.700 0.025 0.000 0.785 429 K N -0.238 120.234 120.400 0.120 0.000 2.400 429 K HA -0.068 4.253 4.320 0.001 0.000 0.194 429 K C 1.999 178.691 176.600 0.154 0.000 1.033 429 K CA 0.374 56.730 56.287 0.114 0.000 1.021 429 K CB 0.107 32.647 32.500 0.068 0.000 0.808 429 K HN -0.175 nan 8.250 nan 0.000 0.505 430 E N -0.059 120.259 120.200 0.196 0.000 2.170 430 E HA -0.101 4.249 4.350 0.001 0.000 0.191 430 E C 1.338 178.160 176.600 0.370 0.000 0.981 430 E CA 0.694 57.234 56.400 0.232 0.000 0.830 430 E CB -0.190 29.651 29.700 0.235 0.000 0.775 430 E HN 0.296 nan 8.360 nan 0.000 0.470 431 F N 0.884 120.982 119.950 0.246 0.000 2.163 431 F HA -0.070 4.457 4.527 0.000 0.000 0.297 431 F C 2.198 178.191 175.800 0.320 0.000 1.094 431 F CA 1.506 59.705 58.000 0.331 0.000 1.290 431 F CB -0.255 38.886 39.000 0.237 0.000 1.017 431 F HN 0.068 nan 8.300 nan 0.000 0.483 432 Q N 1.084 121.179 119.800 0.491 0.000 2.170 432 Q HA -0.205 4.135 4.340 0.001 0.000 0.203 432 Q C 2.202 178.333 176.000 0.218 0.000 0.976 432 Q CA 1.864 57.869 55.803 0.337 0.000 0.858 432 Q CB -0.390 28.457 28.738 0.182 0.000 0.907 432 Q HN 0.472 nan 8.270 nan 0.000 0.433 433 K N -1.360 119.123 120.400 0.138 0.000 2.057 433 K HA -0.164 4.156 4.320 0.001 0.000 0.206 433 K C 1.715 178.255 176.600 -0.101 0.000 1.050 433 K CA 1.286 57.573 56.287 -0.000 0.000 0.935 433 K CB -0.203 32.271 32.500 -0.044 0.000 0.715 433 K HN 0.257 nan 8.250 nan 0.000 0.439 434 Y N -0.546 119.651 120.300 -0.171 0.000 2.293 434 Y HA -0.169 4.381 4.550 0.001 0.000 0.291 434 Y C 1.943 177.407 175.900 -0.727 0.000 1.137 434 Y CA 1.358 59.162 58.100 -0.493 0.000 1.202 434 Y CB -0.187 37.807 38.460 -0.777 0.000 0.990 434 Y HN 0.100 nan 8.280 nan 0.000 0.537 435 F N 0.799 120.518 119.950 -0.384 0.000 2.146 435 F HA -0.184 4.344 4.527 0.001 0.000 0.298 435 F C 2.436 178.213 175.800 -0.039 0.000 1.096 435 F CA 1.906 59.835 58.000 -0.119 0.000 1.275 435 F CB -0.280 38.823 39.000 0.172 0.000 1.008 435 F HN 0.075 nan 8.300 nan 0.000 0.480 436 E N -0.392 119.895 120.200 0.144 0.000 2.072 436 E HA -0.295 4.055 4.350 0.001 0.000 0.191 436 E C 2.157 178.636 176.600 -0.203 0.000 0.985 436 E CA 1.196 57.608 56.400 0.021 0.000 0.801 436 E CB -0.192 29.514 29.700 0.010 0.000 0.750 436 E HN 0.409 nan 8.360 nan 0.000 0.452 437 Q N -0.052 119.569 119.800 -0.298 0.000 2.119 437 Q HA -0.205 4.135 4.340 0.001 0.000 0.201 437 Q C 1.877 177.487 176.000 -0.651 0.000 0.972 437 Q CA 2.067 57.528 55.803 -0.569 0.000 0.847 437 Q CB -0.473 27.918 28.738 -0.579 0.000 0.903 437 Q HN 0.420 nan 8.270 nan 0.000 0.433 438 H N -0.968 117.812 119.070 -0.483 0.000 2.387 438 H HA -0.027 4.529 4.556 0.001 0.000 0.299 438 H C 1.662 176.827 175.328 -0.272 0.000 1.099 438 H CA 2.092 57.951 56.048 -0.316 0.000 1.315 438 H CB -0.524 29.014 29.762 -0.373 0.000 1.380 438 H HN 0.363 nan 8.280 nan 0.000 0.513 439 G N 0.043 108.613 108.800 -0.383 0.000 2.402 439 G HA2 -0.227 3.733 3.960 0.001 0.000 0.216 439 G HA3 -0.227 3.733 3.960 0.001 0.000 0.216 439 G C 1.796 176.502 174.900 -0.324 0.000 1.162 439 G CA 0.573 45.465 45.100 -0.346 0.000 0.777 439 G HN 0.383 nan 8.290 nan 0.000 0.539 440 R N -0.839 119.434 120.500 -0.379 0.000 2.075 440 R HA 0.032 4.372 4.340 0.001 0.000 0.232 440 R C 2.333 178.440 176.300 -0.322 0.000 1.126 440 R CA 0.973 56.846 56.100 -0.379 0.000 0.963 440 R CB -0.397 29.612 30.300 -0.486 0.000 0.858 440 R HN 0.326 nan 8.270 nan 0.000 0.435 441 F N 0.792 120.516 119.950 -0.375 0.000 2.113 441 F HA -0.161 4.366 4.527 0.001 0.000 0.297 441 F C 2.815 178.394 175.800 -0.368 0.000 1.103 441 F CA 1.668 59.435 58.000 -0.389 0.000 1.248 441 F CB -1.243 37.469 39.000 -0.479 0.000 0.999 441 F HN 0.109 nan 8.300 nan 0.000 0.475 442 T N -2.187 112.222 114.554 -0.242 0.000 2.915 442 T HA 0.004 4.355 4.350 0.001 0.000 0.269 442 T C 1.959 176.494 174.700 -0.274 0.000 1.071 442 T CA 0.861 62.779 62.100 -0.303 0.000 1.132 442 T CB -0.660 67.938 68.868 -0.450 0.000 0.878 442 T HN 0.150 nan 8.240 nan 0.000 0.479 443 A N 0.862 123.531 122.820 -0.251 0.000 2.206 443 A HA 0.542 4.862 4.320 0.001 0.000 0.211 443 A C 2.160 179.655 177.584 -0.148 0.000 1.158 443 A CA 0.730 52.632 52.037 -0.224 0.000 0.761 443 A CB -1.221 17.664 19.000 -0.192 0.000 0.801 443 A HN 1.368 nan 8.150 nan 0.000 0.473 444 G N -1.433 107.307 108.800 -0.099 0.000 2.162 444 G HA2 -0.264 3.696 3.960 0.001 0.000 0.260 444 G HA3 -0.264 3.696 3.960 0.001 0.000 0.260 444 G C 0.881 175.797 174.900 0.027 0.000 0.976 444 G CA 0.940 46.039 45.100 -0.001 0.000 0.655 444 G HN 1.638 nan 8.290 nan 0.000 0.533 445 V N -1.887 117.999 119.914 -0.047 0.000 3.444 445 V HA 0.672 4.792 4.120 0.001 0.000 0.308 445 V C 1.777 177.834 176.094 -0.062 0.000 1.371 445 V CA 1.367 63.623 62.300 -0.073 0.000 1.141 445 V CB 0.259 31.977 31.823 -0.175 0.000 1.037 445 V HN 0.790 nan 8.190 nan 0.000 0.433 446 G N 0.176 108.989 108.800 0.021 0.000 2.838 446 G HA2 0.050 4.011 3.960 0.001 0.000 0.210 446 G HA3 0.050 4.011 3.960 0.001 0.000 0.210 446 G C 0.687 175.691 174.900 0.175 0.000 1.153 446 G CA 0.392 45.531 45.100 0.066 0.000 0.778 446 G HN 0.481 nan 8.290 nan 0.000 0.539 447 T N 0.958 115.599 114.554 0.145 0.000 2.871 447 T HA 0.135 4.485 4.350 0.001 0.000 0.296 447 T C -0.564 174.124 174.700 -0.019 0.000 0.998 447 T CA 0.618 62.742 62.100 0.039 0.000 1.162 447 T CB 0.231 69.086 68.868 -0.022 0.000 0.947 447 T HN 0.413 nan 8.240 nan 0.000 0.536 448 H N 2.710 121.668 119.070 -0.186 0.000 3.177 448 H HA 0.306 4.862 4.556 0.001 0.000 0.314 448 H C -1.067 174.199 175.328 -0.102 0.000 1.059 448 H CA -1.029 54.945 56.048 -0.123 0.000 1.515 448 H CB 0.309 30.060 29.762 -0.019 0.000 1.672 448 H HN 0.501 nan 8.280 nan 0.000 0.514 449 Y N 2.194 122.643 120.300 0.249 0.000 2.425 449 Y HA 0.290 4.840 4.550 0.000 0.000 0.331 449 Y C 0.864 176.835 175.900 0.118 0.000 1.157 449 Y CA 0.016 58.177 58.100 0.101 0.000 1.372 449 Y CB 0.487 38.965 38.460 0.031 0.000 1.253 449 Y HN 0.627 nan 8.280 nan 0.000 0.536 450 A N 5.118 128.052 122.820 0.189 0.000 2.287 450 A HA 0.519 4.839 4.320 0.001 0.000 0.273 450 A C -2.384 175.260 177.584 0.101 0.000 1.091 450 A CA -1.745 50.339 52.037 0.078 0.000 0.817 450 A CB -0.393 18.616 19.000 0.016 0.000 1.069 450 A HN 0.560 nan 8.150 nan 0.000 0.492 451 P HA 0.139 nan 4.420 nan 0.000 0.265 451 P C 0.040 177.373 177.300 0.055 0.000 1.187 451 P CA 0.874 64.019 63.100 0.074 0.000 0.766 451 P CB 0.613 32.345 31.700 0.053 0.000 0.820 452 S N 1.530 117.269 115.700 0.065 0.000 2.761 452 S HA 0.188 4.659 4.470 0.001 0.000 0.290 452 S C 0.434 175.077 174.600 0.071 0.000 1.222 452 S CA -0.687 57.538 58.200 0.042 0.000 0.954 452 S CB 0.006 63.210 63.200 0.007 0.000 1.281 452 S HN 0.248 nan 8.310 nan 0.000 0.527 453 L N 0.749 121.999 121.223 0.044 0.000 2.042 453 L HA 0.224 4.564 4.340 0.001 0.000 0.210 453 L C 1.897 178.837 176.870 0.117 0.000 1.076 453 L CA 1.836 56.712 54.840 0.060 0.000 0.749 453 L CB -0.851 41.202 42.059 -0.011 0.000 0.893 453 L HN 0.722 nan 8.230 nan 0.000 0.432 454 L N -1.704 119.568 121.223 0.082 0.000 2.354 454 L HA 0.123 4.464 4.340 0.001 0.000 0.212 454 L C 0.347 177.404 176.870 0.312 0.000 1.091 454 L CA 0.087 55.062 54.840 0.224 0.000 0.828 454 L CB -0.286 41.842 42.059 0.115 0.000 0.973 454 L HN 0.088 nan 8.230 nan 0.000 0.461 455 T N 0.480 115.145 114.554 0.185 0.000 2.771 455 T HA 0.497 4.847 4.350 0.001 0.000 0.281 455 T C 0.441 175.206 174.700 0.109 0.000 0.982 455 T CA -0.456 61.740 62.100 0.159 0.000 0.978 455 T CB 1.781 70.760 68.868 0.186 0.000 0.930 455 T HN 0.219 nan 8.240 nan 0.000 0.447 456 G N 0.885 109.721 108.800 0.059 0.000 2.653 456 G HA2 0.164 4.124 3.960 0.001 0.000 0.265 456 G HA3 0.164 4.124 3.960 0.001 0.000 0.265 456 G C 0.571 175.513 174.900 0.070 0.000 1.237 456 G CA -0.354 44.770 45.100 0.040 0.000 0.946 456 G HN 0.728 nan 8.290 nan 0.000 0.522 457 Q N -0.705 119.128 119.800 0.055 0.000 2.432 457 Q HA 0.260 4.601 4.340 0.001 0.000 0.205 457 Q C 1.634 177.664 176.000 0.050 0.000 0.945 457 Q CA 0.654 56.486 55.803 0.049 0.000 0.924 457 Q CB 0.117 28.872 28.738 0.029 0.000 1.016 457 Q HN 0.982 nan 8.270 nan 0.000 0.503 458 A N 0.618 123.472 122.820 0.057 0.000 2.969 458 A HA -0.242 4.079 4.320 0.001 0.000 0.252 458 A C 0.887 178.478 177.584 0.012 0.000 1.377 458 A CA 1.047 53.119 52.037 0.058 0.000 0.859 458 A CB -1.923 17.122 19.000 0.075 0.000 1.077 458 A HN 0.383 nan 8.150 nan 0.000 0.671 459 K N -1.160 119.216 120.400 -0.040 0.000 2.442 459 K HA -0.065 4.256 4.320 0.001 0.000 0.198 459 K C 0.608 177.016 176.600 -0.320 0.000 1.042 459 K CA 1.447 57.627 56.287 -0.179 0.000 0.958 459 K CB -0.145 32.206 32.500 -0.249 0.000 0.766 459 K HN 0.873 nan 8.250 nan 0.000 0.474 460 H N -1.028 118.052 119.070 0.016 0.000 2.510 460 H HA 0.070 4.627 4.556 0.001 0.000 0.266 460 H C 1.134 176.475 175.328 0.020 0.000 1.146 460 H CA -0.276 55.782 56.048 0.016 0.000 0.993 460 H CB 0.778 30.550 29.762 0.017 0.000 1.727 460 H HN 0.003 nan 8.280 nan 0.000 0.590 461 Q N 1.389 121.239 119.800 0.084 0.000 2.181 461 Q HA -0.099 4.241 4.340 0.001 0.000 0.205 461 Q C 2.119 178.145 176.000 0.043 0.000 0.980 461 Q CA 1.656 57.497 55.803 0.063 0.000 0.862 461 Q CB -0.121 28.639 28.738 0.037 0.000 0.905 461 Q HN 0.554 nan 8.270 nan 0.000 0.429 462 A N -0.222 122.619 122.820 0.036 0.000 2.178 462 A HA -0.064 4.257 4.320 0.001 0.000 0.218 462 A C 1.819 179.419 177.584 0.028 0.000 1.157 462 A CA 0.778 52.826 52.037 0.018 0.000 0.689 462 A CB -0.580 18.429 19.000 0.015 0.000 0.787 462 A HN 0.474 nan 8.150 nan 0.000 0.465 463 L N -1.764 119.495 121.223 0.059 0.000 2.217 463 L HA 0.019 4.359 4.340 0.001 0.000 0.211 463 L C 1.214 178.089 176.870 0.009 0.000 1.107 463 L CA 0.947 55.820 54.840 0.055 0.000 0.783 463 L CB -0.181 41.926 42.059 0.080 0.000 0.919 463 L HN 0.432 nan 8.230 nan 0.000 0.442 464 A N -1.119 121.700 122.820 -0.002 0.000 3.124 464 A HA 0.303 4.624 4.320 0.001 0.000 0.295 464 A C 1.013 178.556 177.584 -0.068 0.000 1.199 464 A CA -0.062 51.940 52.037 -0.058 0.000 0.845 464 A CB 0.170 19.195 19.000 0.040 0.000 1.381 464 A HN 0.152 nan 8.150 nan 0.000 0.537 465 S N 0.037 115.668 115.700 -0.115 0.000 2.442 465 S HA -0.059 4.411 4.470 0.001 0.000 0.236 465 S C 1.581 176.064 174.600 -0.194 0.000 1.007 465 S CA 1.634 59.764 58.200 -0.117 0.000 0.965 465 S CB -0.186 62.953 63.200 -0.101 0.000 0.773 465 S HN 1.272 nan 8.310 nan 0.000 0.504 466 G N -0.427 108.156 108.800 -0.363 0.000 2.985 466 G HA2 0.273 4.234 3.960 0.001 0.000 0.209 466 G HA3 0.273 4.234 3.960 0.001 0.000 0.209 466 G C -0.119 174.383 174.900 -0.664 0.000 1.165 466 G CA -0.252 44.525 45.100 -0.538 0.000 0.776 466 G HN 0.491 nan 8.290 nan 0.000 0.541 467 F N 1.867 121.711 119.950 -0.177 0.000 2.371 467 F HA 0.325 4.852 4.527 0.000 0.000 0.343 467 F C 0.476 176.233 175.800 -0.070 0.000 1.150 467 F CA -1.294 56.627 58.000 -0.133 0.000 1.220 467 F CB 0.305 39.248 39.000 -0.094 0.000 1.475 467 F HN -0.254 nan 8.300 nan 0.000 0.521 468 T N 1.749 116.317 114.554 0.023 0.000 2.871 468 T HA 0.113 4.463 4.350 0.001 0.000 0.296 468 T C 0.618 175.311 174.700 -0.011 0.000 0.998 468 T CA -0.119 61.955 62.100 -0.043 0.000 1.162 468 T CB 0.535 69.291 68.868 -0.186 0.000 0.947 468 T HN 0.065 nan 8.240 nan 0.000 0.536 469 V N 4.101 124.039 119.914 0.039 0.000 2.540 469 V HA 0.367 4.487 4.120 0.001 0.000 0.297 469 V C 1.596 177.747 176.094 0.095 0.000 1.024 469 V CA 1.427 63.787 62.300 0.099 0.000 1.105 469 V CB 0.226 32.120 31.823 0.119 0.000 0.938 469 V HN 1.259 nan 8.190 nan 0.000 0.482 470 G N 4.166 113.073 108.800 0.179 0.000 2.194 470 G HA2 -0.211 3.749 3.960 0.001 0.000 0.236 470 G HA3 -0.211 3.749 3.960 0.001 0.000 0.236 470 G C -0.001 175.003 174.900 0.175 0.000 0.987 470 G CA 0.218 45.482 45.100 0.274 0.000 0.635 470 G HN 0.525 nan 8.290 nan 0.000 0.520 471 M N 0.161 119.798 119.600 0.061 0.000 2.762 471 M HA 0.633 5.114 4.480 0.001 0.000 0.306 471 M C 0.784 177.160 176.300 0.127 0.000 1.223 471 M CA -1.209 54.136 55.300 0.075 0.000 0.896 471 M CB 1.385 33.892 32.600 -0.154 0.000 1.684 471 M HN 0.306 nan 8.290 nan 0.000 0.491 472 R N 0.319 120.760 120.500 -0.098 0.000 2.734 472 R HA 0.132 4.472 4.340 0.001 0.000 0.266 472 R C -0.905 175.373 176.300 -0.036 0.000 1.044 472 R CA 0.072 55.932 56.100 -0.400 0.000 1.128 472 R CB -0.144 29.834 30.300 -0.537 0.000 1.010 472 R HN 0.527 nan 8.270 nan 0.000 0.461 473 F N 3.168 123.046 119.950 -0.120 0.000 2.506 473 F HA 0.075 4.602 4.527 0.000 0.000 0.369 473 F C 0.171 176.048 175.800 0.127 0.000 1.114 473 F CA -0.011 58.002 58.000 0.022 0.000 1.121 473 F CB -0.124 38.818 39.000 -0.096 0.000 1.104 473 F HN 0.640 nan 8.300 nan 0.000 0.564 474 H N 5.017 123.949 119.070 -0.231 0.000 3.160 474 H HA 0.092 4.649 4.556 0.001 0.000 0.257 474 H C 0.457 175.556 175.328 -0.381 0.000 1.140 474 H CA -0.478 55.409 56.048 -0.269 0.000 1.492 474 H CB 0.318 29.895 29.762 -0.309 0.000 1.529 474 H HN 0.660 nan 8.280 nan 0.000 0.490 475 S N 3.244 118.870 115.700 -0.125 0.000 2.573 475 S HA 0.414 4.884 4.470 0.001 0.000 0.277 475 S C -0.360 174.037 174.600 -0.337 0.000 1.346 475 S CA 0.004 58.077 58.200 -0.213 0.000 1.034 475 S CB 0.356 63.519 63.200 -0.061 0.000 0.879 475 S HN 0.802 nan 8.310 nan 0.000 0.528 476 A N 4.422 127.072 122.820 -0.282 0.000 2.587 476 A HA 0.806 5.126 4.320 0.001 0.000 0.293 476 A C -2.967 174.509 177.584 -0.179 0.000 1.087 476 A CA -1.650 50.226 52.037 -0.269 0.000 0.692 476 A CB 1.432 20.256 19.000 -0.292 0.000 1.291 476 A HN 0.641 nan 8.150 nan 0.000 0.407 477 P HA 0.419 nan 4.420 nan 0.000 0.271 477 P C -0.316 176.967 177.300 -0.028 0.000 1.218 477 P CA 0.168 63.212 63.100 -0.093 0.000 0.780 477 P CB 1.039 32.696 31.700 -0.070 0.000 0.901 478 V N -0.391 119.524 119.914 0.002 0.000 3.202 478 V HA 0.637 4.757 4.120 0.001 0.000 0.306 478 V C -0.868 175.315 176.094 0.148 0.000 1.283 478 V CA -1.063 61.295 62.300 0.096 0.000 1.065 478 V CB 1.875 33.736 31.823 0.064 0.000 1.079 478 V HN 0.228 nan 8.190 nan 0.000 0.448 479 V N 1.171 121.223 119.914 0.231 0.000 2.487 479 V HA 0.557 4.677 4.120 0.001 0.000 0.298 479 V C 0.137 176.369 176.094 0.230 0.000 1.028 479 V CA -0.568 61.820 62.300 0.148 0.000 0.860 479 V CB 1.483 33.324 31.823 0.029 0.000 0.991 479 V HN 0.971 nan 8.190 nan 0.000 0.427 480 R N 3.035 123.627 120.500 0.154 0.000 2.401 480 R HA 0.277 4.618 4.340 0.001 0.000 0.299 480 R C 0.745 176.976 176.300 -0.115 0.000 1.064 480 R CA -0.153 55.913 56.100 -0.057 0.000 1.000 480 R CB 1.194 31.470 30.300 -0.041 0.000 0.973 480 R HN 0.611 nan 8.270 nan 0.000 0.438 481 V N 4.838 124.681 119.914 -0.118 0.000 2.427 481 V HA -0.315 3.805 4.120 0.001 0.000 0.248 481 V C 2.329 178.435 176.094 0.019 0.000 1.051 481 V CA 1.897 64.216 62.300 0.032 0.000 1.048 481 V CB -0.726 31.137 31.823 0.066 0.000 0.666 481 V HN 1.077 nan 8.190 nan 0.000 0.456 482 C N 1.445 120.721 119.300 -0.040 0.000 2.419 482 C HA -0.084 4.376 4.460 0.001 0.000 0.281 482 C C 1.613 176.561 174.990 -0.071 0.000 1.336 482 C CA 1.074 60.070 59.018 -0.036 0.000 1.770 482 C CB -1.037 26.693 27.740 -0.016 0.000 1.929 482 C HN 0.781 nan 8.230 nan 0.000 0.509 483 D N -1.433 118.922 120.400 -0.075 0.000 2.567 483 D HA 0.297 4.938 4.640 0.001 0.000 0.268 483 D C 0.958 177.183 176.300 -0.126 0.000 1.448 483 D CA 0.473 54.425 54.000 -0.080 0.000 0.811 483 D CB -0.642 40.113 40.800 -0.076 0.000 1.192 483 D HN 1.070 nan 8.370 nan 0.000 0.488 484 A N 0.393 123.069 122.820 -0.240 0.000 2.847 484 A HA -0.305 4.015 4.320 0.001 0.000 0.263 484 A C 0.555 177.964 177.584 -0.290 0.000 1.391 484 A CA 1.221 52.938 52.037 -0.532 0.000 0.866 484 A CB -2.350 16.274 19.000 -0.626 0.000 1.057 484 A HN 0.429 nan 8.150 nan 0.000 0.673 485 K N 0.120 120.437 120.400 -0.139 0.000 2.322 485 K HA 0.393 4.713 4.320 0.001 0.000 0.283 485 K C -2.742 173.850 176.600 -0.014 0.000 1.042 485 K CA -1.744 54.511 56.287 -0.053 0.000 0.958 485 K CB 0.534 33.035 32.500 0.002 0.000 0.984 485 K HN 0.169 nan 8.250 nan 0.000 0.473 486 P HA 0.036 nan 4.420 nan 0.000 0.282 486 P C -1.161 176.156 177.300 0.030 0.000 1.262 486 P CA -0.456 62.649 63.100 0.008 0.000 0.773 486 P CB 1.075 32.772 31.700 -0.005 0.000 0.879 487 V N 0.754 120.692 119.914 0.039 0.000 3.181 487 V HA 0.527 4.648 4.120 0.001 0.000 0.308 487 V C -1.171 174.868 176.094 -0.091 0.000 1.214 487 V CA -0.991 61.318 62.300 0.014 0.000 1.053 487 V CB 2.301 34.188 31.823 0.106 0.000 1.069 487 V HN 0.148 nan 8.190 nan 0.000 0.441 488 Q N 1.303 120.976 119.800 -0.211 0.000 2.303 488 Q HA 0.387 4.727 4.340 0.001 0.000 0.257 488 Q C 0.516 176.345 176.000 -0.284 0.000 0.941 488 Q CA -0.444 55.128 55.803 -0.385 0.000 0.931 488 Q CB 1.702 29.891 28.738 -0.916 0.000 1.215 488 Q HN 0.871 nan 8.270 nan 0.000 0.437 489 L N 3.948 125.039 121.223 -0.220 0.000 2.043 489 L HA -0.123 4.217 4.340 0.001 0.000 0.212 489 L C 1.763 178.636 176.870 0.006 0.000 1.075 489 L CA 2.533 57.255 54.840 -0.198 0.000 0.752 489 L CB -0.699 41.263 42.059 -0.162 0.000 0.891 489 L HN 0.834 nan 8.230 nan 0.000 0.432 490 G N -2.433 106.440 108.800 0.122 0.000 2.559 490 G HA2 -0.229 3.731 3.960 0.001 0.000 0.216 490 G HA3 -0.229 3.731 3.960 0.001 0.000 0.216 490 G C 1.199 176.308 174.900 0.349 0.000 1.126 490 G CA 0.667 45.966 45.100 0.332 0.000 0.778 490 G HN 0.683 nan 8.290 nan 0.000 0.543 491 H N -1.128 118.004 119.070 0.103 0.000 2.556 491 H HA 0.038 4.595 4.556 0.001 0.000 0.268 491 H C 1.821 177.200 175.328 0.085 0.000 0.996 491 H CA -0.274 55.833 56.048 0.098 0.000 1.157 491 H CB 0.190 30.008 29.762 0.093 0.000 1.355 491 H HN 0.367 nan 8.280 nan 0.000 0.597 492 C N 0.357 119.779 119.300 0.203 0.000 2.448 492 C HA 0.023 4.483 4.460 0.001 0.000 0.280 492 C C 2.084 177.124 174.990 0.083 0.000 1.398 492 C CA 0.389 59.489 59.018 0.137 0.000 1.774 492 C CB -0.923 26.890 27.740 0.122 0.000 1.888 492 C HN 0.561 nan 8.230 nan 0.000 0.519 493 G N 2.241 111.108 108.800 0.111 0.000 2.741 493 G HA2 0.273 4.234 3.960 0.001 0.000 0.301 493 G HA3 0.273 4.234 3.960 0.001 0.000 0.301 493 G C 0.051 174.958 174.900 0.012 0.000 0.834 493 G CA 0.032 45.152 45.100 0.033 0.000 1.683 493 G HN 0.298 nan 8.290 nan 0.000 0.506 494 K N 1.150 121.537 120.400 -0.022 0.000 2.090 494 K HA 0.450 4.771 4.320 0.001 0.000 0.249 494 K C 0.486 177.029 176.600 -0.095 0.000 0.995 494 K CA -0.811 55.442 56.287 -0.057 0.000 0.914 494 K CB 1.937 34.416 32.500 -0.034 0.000 1.057 494 K HN 0.265 nan 8.250 nan 0.000 0.462 495 A N 2.306 125.006 122.820 -0.201 0.000 3.077 495 A HA 0.034 4.355 4.320 0.001 0.000 0.255 495 A C 0.001 177.504 177.584 -0.134 0.000 1.728 495 A CA -0.047 51.850 52.037 -0.234 0.000 1.383 495 A CB -1.021 17.450 19.000 -0.883 0.000 1.097 495 A HN 0.601 nan 8.150 nan 0.000 0.634 496 D N -1.386 118.991 120.400 -0.038 0.000 2.479 496 D HA 0.285 4.925 4.640 0.001 0.000 0.218 496 D C 1.037 177.484 176.300 0.246 0.000 1.177 496 D CA 0.398 54.438 54.000 0.067 0.000 0.830 496 D CB -0.292 40.531 40.800 0.039 0.000 1.014 496 D HN 0.683 nan 8.370 nan 0.000 0.503 497 G N 0.599 109.501 108.800 0.170 0.000 2.184 497 G HA2 -0.340 3.620 3.960 0.001 0.000 0.264 497 G HA3 -0.340 3.620 3.960 0.001 0.000 0.264 497 G C 0.278 175.120 174.900 -0.097 0.000 0.975 497 G CA -0.014 45.157 45.100 0.119 0.000 0.642 497 G HN 0.451 nan 8.290 nan 0.000 0.536 498 R N -1.005 119.424 120.500 -0.119 0.000 2.459 498 R HA 0.467 4.808 4.340 0.001 0.000 0.281 498 R C -0.147 176.012 176.300 -0.235 0.000 1.050 498 R CA -0.611 55.408 56.100 -0.135 0.000 1.055 498 R CB 0.647 30.894 30.300 -0.087 0.000 1.045 498 R HN 0.208 nan 8.270 nan 0.000 0.495 499 W N 1.136 122.249 121.300 -0.311 0.000 2.237 499 W HA 0.275 4.935 4.660 0.001 0.000 0.335 499 W C 0.330 176.743 176.519 -0.178 0.000 1.230 499 W CA -0.022 57.188 57.345 -0.224 0.000 1.253 499 W CB 0.621 30.017 29.460 -0.107 0.000 1.129 499 W HN 0.175 nan 8.180 nan 0.000 0.590 500 R N 1.789 122.300 120.500 0.019 0.000 2.637 500 R HA 0.592 4.932 4.340 0.001 0.000 0.291 500 R C -1.215 174.974 176.300 -0.184 0.000 0.963 500 R CA -0.720 55.231 56.100 -0.249 0.000 0.901 500 R CB 0.968 30.909 30.300 -0.599 0.000 1.160 500 R HN 0.403 nan 8.270 nan 0.000 0.457 501 L N 4.397 125.452 121.223 -0.279 0.000 2.353 501 L HA 0.444 4.785 4.340 0.001 0.000 0.270 501 L C -1.023 175.659 176.870 -0.313 0.000 1.003 501 L CA -0.690 54.070 54.840 -0.134 0.000 0.862 501 L CB 0.848 42.902 42.059 -0.008 0.000 1.221 501 L HN 0.549 nan 8.230 nan 0.000 0.430 502 Y N 2.202 122.416 120.300 -0.143 0.000 2.454 502 Y HA 0.480 5.031 4.550 0.000 0.000 0.345 502 Y C 0.647 176.427 175.900 -0.201 0.000 0.970 502 Y CA -0.502 57.442 58.100 -0.260 0.000 1.204 502 Y CB 1.383 39.659 38.460 -0.306 0.000 1.122 502 Y HN 0.566 nan 8.280 nan 0.000 0.514 503 A N 5.004 127.733 122.820 -0.151 0.000 2.253 503 A HA 0.624 4.945 4.320 0.001 0.000 0.316 503 A C -1.184 176.248 177.584 -0.254 0.000 1.327 503 A CA -0.510 51.471 52.037 -0.093 0.000 0.917 503 A CB -0.290 18.667 19.000 -0.072 0.000 1.162 503 A HN 0.598 nan 8.150 nan 0.000 0.535 504 F N 2.442 122.393 119.950 0.002 0.000 2.371 504 F HA 0.497 5.024 4.527 0.001 0.000 0.363 504 F C 1.062 176.934 175.800 0.121 0.000 1.122 504 F CA -0.106 57.907 58.000 0.020 0.000 1.129 504 F CB 1.290 40.226 39.000 -0.107 0.000 1.173 504 F HN 0.693 nan 8.300 nan 0.000 0.489 505 A N 2.715 125.664 122.820 0.216 0.000 2.445 505 A HA 0.627 4.947 4.320 0.001 0.000 0.242 505 A C 0.332 178.095 177.584 0.298 0.000 1.075 505 A CA -0.171 51.968 52.037 0.169 0.000 0.777 505 A CB 0.017 19.033 19.000 0.028 0.000 1.013 505 A HN 0.889 nan 8.150 nan 0.000 0.493 506 A N 0.558 123.504 122.820 0.211 0.000 2.332 506 A HA 0.397 4.717 4.320 0.001 0.000 0.258 506 A C 1.215 178.877 177.584 0.131 0.000 1.087 506 A CA 0.333 52.473 52.037 0.172 0.000 0.802 506 A CB 0.129 19.205 19.000 0.126 0.000 1.042 506 A HN 1.021 nan 8.150 nan 0.000 0.489 507 Q N 0.877 120.722 119.800 0.074 0.000 2.096 507 Q HA -0.188 4.152 4.340 0.001 0.000 0.208 507 Q C 0.900 176.930 176.000 0.050 0.000 0.993 507 Q CA 2.690 58.508 55.803 0.026 0.000 0.862 507 Q CB -0.172 28.570 28.738 0.005 0.000 0.915 507 Q HN 0.784 nan 8.270 nan 0.000 0.416 508 N N 0.323 119.059 118.700 0.060 0.000 2.314 508 N HA -0.008 4.732 4.740 0.001 0.000 0.200 508 N C 0.083 175.643 175.510 0.083 0.000 1.135 508 N CA 0.418 53.502 53.050 0.057 0.000 0.835 508 N CB 0.276 38.788 38.487 0.041 0.000 0.989 508 N HN 0.286 nan 8.380 nan 0.000 0.478 509 D N 0.818 121.297 120.400 0.132 0.000 2.117 509 D HA -0.103 4.537 4.640 0.001 0.000 0.197 509 D C 1.901 178.305 176.300 0.173 0.000 0.987 509 D CA 0.506 54.609 54.000 0.172 0.000 0.829 509 D CB 0.099 41.040 40.800 0.235 0.000 0.961 509 D HN 0.116 nan 8.370 nan 0.000 0.460 510 L N 0.564 121.881 121.223 0.158 0.000 2.083 510 L HA -0.031 4.309 4.340 0.001 0.000 0.209 510 L C 2.080 178.951 176.870 0.001 0.000 1.083 510 L CA 1.373 56.225 54.840 0.019 0.000 0.752 510 L CB -0.712 41.267 42.059 -0.134 0.000 0.899 510 L HN -0.030 nan 8.230 nan 0.000 0.433 511 A N -1.811 121.019 122.820 0.016 0.000 2.072 511 A HA -0.010 4.310 4.320 0.001 0.000 0.216 511 A C 1.000 178.597 177.584 0.021 0.000 1.156 511 A CA 0.448 52.489 52.037 0.007 0.000 0.701 511 A CB -0.173 18.830 19.000 0.005 0.000 0.816 511 A HN 0.540 nan 8.150 nan 0.000 0.458 512 Q N -0.691 119.133 119.800 0.041 0.000 2.798 512 Q HA 0.234 4.574 4.340 0.001 0.000 0.250 512 Q C -2.296 173.739 176.000 0.058 0.000 1.006 512 Q CA -1.845 53.983 55.803 0.042 0.000 0.759 512 Q CB 1.493 30.255 28.738 0.040 0.000 1.201 512 Q HN 0.181 nan 8.270 nan 0.000 0.486 513 P HA -0.227 nan 4.420 nan 0.000 0.225 513 P C 1.070 178.409 177.300 0.065 0.000 1.148 513 P CA 0.977 64.117 63.100 0.066 0.000 0.779 513 P CB 0.278 32.008 31.700 0.050 0.000 0.780 514 E N 0.200 120.431 120.200 0.052 0.000 2.333 514 E HA -0.096 4.254 4.350 0.001 0.000 0.198 514 E C 0.565 177.199 176.600 0.056 0.000 1.007 514 E CA 1.007 57.437 56.400 0.049 0.000 0.845 514 E CB -0.436 29.285 29.700 0.035 0.000 0.766 514 E HN 0.322 nan 8.360 nan 0.000 0.507 515 S N -1.777 113.960 115.700 0.063 0.000 2.776 515 S HA 0.632 5.103 4.470 0.001 0.000 0.292 515 S C 0.594 175.245 174.600 0.086 0.000 1.187 515 S CA -0.423 57.815 58.200 0.063 0.000 0.834 515 S CB 1.624 64.846 63.200 0.036 0.000 1.199 515 S HN 0.575 nan 8.310 nan 0.000 0.514 516 G N 0.715 109.564 108.800 0.081 0.000 2.552 516 G HA2 -0.249 3.711 3.960 0.001 0.000 0.265 516 G HA3 -0.249 3.711 3.960 0.001 0.000 0.265 516 G C 0.610 175.585 174.900 0.125 0.000 1.234 516 G CA 0.276 45.435 45.100 0.100 0.000 0.944 516 G HN 1.556 nan 8.290 nan 0.000 0.568 517 L N 0.060 121.356 121.223 0.123 0.000 2.013 517 L HA -0.037 4.303 4.340 0.001 0.000 0.212 517 L C 2.982 179.924 176.870 0.121 0.000 1.073 517 L CA 2.443 57.344 54.840 0.103 0.000 0.753 517 L CB -0.398 41.689 42.059 0.047 0.000 0.890 517 L HN 0.588 nan 8.230 nan 0.000 0.432 518 L N -0.768 120.547 121.223 0.154 0.000 2.131 518 L HA -0.174 4.166 4.340 0.001 0.000 0.210 518 L C 2.721 179.657 176.870 0.110 0.000 1.092 518 L CA 0.973 55.895 54.840 0.137 0.000 0.759 518 L CB -0.787 41.354 42.059 0.138 0.000 0.903 518 L HN 0.366 nan 8.230 nan 0.000 0.435 519 A N -0.032 122.863 122.820 0.126 0.000 1.968 519 A HA -0.175 4.146 4.320 0.001 0.000 0.217 519 A C 2.178 179.857 177.584 0.158 0.000 1.169 519 A CA 1.180 53.306 52.037 0.148 0.000 0.638 519 A CB -0.447 18.653 19.000 0.166 0.000 0.812 519 A HN 0.328 nan 8.150 nan 0.000 0.446 520 L N -0.283 121.028 121.223 0.146 0.000 2.056 520 L HA -0.134 4.206 4.340 0.001 0.000 0.207 520 L C 2.360 179.242 176.870 0.020 0.000 1.078 520 L CA 2.126 56.991 54.840 0.041 0.000 0.749 520 L CB -0.960 41.157 42.059 0.098 0.000 0.901 520 L HN 0.423 nan 8.230 nan 0.000 0.433 521 C N -0.360 118.963 119.300 0.038 0.000 2.429 521 C HA -0.137 4.324 4.460 0.001 0.000 0.277 521 C C 2.893 177.873 174.990 -0.015 0.000 1.262 521 C CA 1.108 60.130 59.018 0.006 0.000 1.733 521 C CB -1.090 26.668 27.740 0.030 0.000 2.010 521 C HN 0.599 nan 8.230 nan 0.000 0.483 522 R N -0.021 120.491 120.500 0.021 0.000 2.081 522 R HA -0.170 4.171 4.340 0.001 0.000 0.235 522 R C 2.143 178.437 176.300 -0.009 0.000 1.131 522 R CA 1.947 58.056 56.100 0.014 0.000 0.960 522 R CB -0.533 29.800 30.300 0.055 0.000 0.856 522 R HN 0.599 nan 8.270 nan 0.000 0.436 523 F N 0.927 120.785 119.950 -0.154 0.000 2.075 523 F HA -0.153 4.374 4.527 0.000 0.000 0.297 523 F C 1.740 177.412 175.800 -0.214 0.000 1.113 523 F CA 1.415 59.282 58.000 -0.222 0.000 1.218 523 F CB -0.248 38.438 39.000 -0.523 0.000 0.984 523 F HN -0.025 nan 8.300 nan 0.000 0.472 524 L N 0.649 121.613 121.223 -0.431 0.000 2.042 524 L HA -0.233 4.107 4.340 0.001 0.000 0.210 524 L C 2.619 179.243 176.870 -0.410 0.000 1.076 524 L CA 2.161 56.692 54.840 -0.514 0.000 0.749 524 L CB -0.947 40.964 42.059 -0.246 0.000 0.893 524 L HN 0.409 nan 8.230 nan 0.000 0.432 525 E N -0.693 119.352 120.200 -0.258 0.000 2.122 525 E HA -0.064 4.286 4.350 0.001 0.000 0.190 525 E C 2.001 178.485 176.600 -0.193 0.000 0.977 525 E CA 1.010 57.294 56.400 -0.192 0.000 0.820 525 E CB -0.234 29.396 29.700 -0.117 0.000 0.770 525 E HN 0.359 nan 8.360 nan 0.000 0.462 526 G N 0.612 109.296 108.800 -0.193 0.000 2.939 526 G HA2 -0.050 3.911 3.960 0.001 0.000 0.216 526 G HA3 -0.050 3.911 3.960 0.001 0.000 0.216 526 G C -0.070 174.727 174.900 -0.171 0.000 1.125 526 G CA -0.174 44.836 45.100 -0.150 0.000 0.766 526 G HN 0.097 nan 8.290 nan 0.000 0.541 527 D N 0.725 120.955 120.400 -0.284 0.000 2.232 527 D HA 0.491 5.132 4.640 0.001 0.000 0.242 527 D C 1.470 177.597 176.300 -0.289 0.000 1.093 527 D CA -0.115 53.738 54.000 -0.246 0.000 0.845 527 D CB 1.861 42.531 40.800 -0.218 0.000 1.124 527 D HN -0.015 nan 8.370 nan 0.000 0.467 528 A N 3.587 126.304 122.820 -0.171 0.000 2.024 528 A HA -0.086 4.235 4.320 0.001 0.000 0.220 528 A C 1.843 179.312 177.584 -0.191 0.000 1.164 528 A CA 1.832 53.768 52.037 -0.168 0.000 0.643 528 A CB -0.265 18.671 19.000 -0.107 0.000 0.806 528 A HN 0.602 nan 8.150 nan 0.000 0.451 529 A N -0.514 122.221 122.820 -0.140 0.000 2.208 529 A HA 0.314 4.635 4.320 0.001 0.000 0.209 529 A C 1.421 178.912 177.584 -0.155 0.000 1.161 529 A CA 0.740 52.727 52.037 -0.083 0.000 0.782 529 A CB -0.595 18.451 19.000 0.076 0.000 0.816 529 A HN 0.586 nan 8.150 nan 0.000 0.477 530 S N 0.949 116.388 115.700 -0.434 0.000 2.552 530 S HA 0.155 4.625 4.470 0.001 0.000 0.289 530 S C -0.883 173.456 174.600 -0.436 0.000 1.304 530 S CA -0.644 57.150 58.200 -0.677 0.000 1.063 530 S CB 0.754 63.376 63.200 -0.963 0.000 0.848 530 S HN 0.282 nan 8.310 nan 0.000 0.499 531 P HA -0.083 nan 4.420 nan 0.000 0.221 531 P C 1.655 178.724 177.300 -0.386 0.000 1.150 531 P CA 0.634 63.552 63.100 -0.303 0.000 0.800 531 P CB 0.039 31.599 31.700 -0.232 0.000 0.787 532 L N -0.537 120.374 121.223 -0.521 0.000 2.056 532 L HA -0.094 4.246 4.340 0.001 0.000 0.207 532 L C 2.799 179.567 176.870 -0.170 0.000 1.078 532 L CA 1.448 56.129 54.840 -0.264 0.000 0.749 532 L CB -0.190 41.692 42.059 -0.295 0.000 0.901 532 L HN -0.161 nan 8.230 nan 0.000 0.433 533 R N -0.622 119.705 120.500 -0.289 0.000 2.090 533 R HA -0.041 4.299 4.340 0.001 0.000 0.228 533 R C 2.265 178.389 176.300 -0.293 0.000 1.110 533 R CA 0.620 56.568 56.100 -0.253 0.000 0.973 533 R CB -0.309 29.826 30.300 -0.275 0.000 0.869 533 R HN 0.379 nan 8.270 nan 0.000 0.440 534 R N -0.013 120.200 120.500 -0.477 0.000 2.075 534 R HA -0.025 4.316 4.340 0.001 0.000 0.232 534 R C 1.803 177.675 176.300 -0.713 0.000 1.126 534 R CA 1.263 56.918 56.100 -0.742 0.000 0.963 534 R CB -0.182 29.346 30.300 -1.288 0.000 0.858 534 R HN 0.262 nan 8.270 nan 0.000 0.435 535 F N -0.314 119.616 119.950 -0.033 0.000 2.678 535 F HA 0.198 4.726 4.527 0.001 0.000 0.305 535 F C 0.569 176.343 175.800 -0.044 0.000 1.090 535 F CA -0.330 57.651 58.000 -0.031 0.000 1.272 535 F CB 0.430 39.411 39.000 -0.033 0.000 1.060 535 F HN -0.287 nan 8.300 nan 0.000 0.576 536 T N 3.323 117.929 114.554 0.087 0.000 2.761 536 T HA 0.222 4.573 4.350 0.001 0.000 0.296 536 T C -2.271 172.427 174.700 -0.003 0.000 0.934 536 T CA -1.239 60.879 62.100 0.029 0.000 1.091 536 T CB 0.775 69.658 68.868 0.025 0.000 0.896 536 T HN -0.223 nan 8.240 nan 0.000 0.515 537 P HA 0.220 nan 4.420 nan 0.000 0.265 537 P C -0.469 176.821 177.300 -0.017 0.000 1.193 537 P CA -0.319 62.775 63.100 -0.011 0.000 0.765 537 P CB 0.330 32.022 31.700 -0.012 0.000 0.823 538 A N 3.123 125.931 122.820 -0.020 0.000 2.540 538 A HA 0.404 4.724 4.320 0.001 0.000 0.239 538 A C 1.619 179.193 177.584 -0.015 0.000 1.061 538 A CA 0.795 52.818 52.037 -0.022 0.000 0.758 538 A CB -1.174 17.812 19.000 -0.022 0.000 0.991 538 A HN 0.892 nan 8.150 nan 0.000 0.502 539 G N 0.957 109.747 108.800 -0.016 0.000 2.225 539 G HA2 -0.229 3.732 3.960 0.001 0.000 0.254 539 G HA3 -0.229 3.732 3.960 0.001 0.000 0.254 539 G C 0.308 175.203 174.900 -0.007 0.000 0.988 539 G CA 0.630 45.723 45.100 -0.010 0.000 0.625 539 G HN 0.955 nan 8.290 nan 0.000 0.527 540 Q N 0.666 120.461 119.800 -0.010 0.000 2.249 540 Q HA 0.432 4.773 4.340 0.001 0.000 0.226 540 Q C -0.477 175.517 176.000 -0.010 0.000 0.983 540 Q CA -0.848 54.951 55.803 -0.007 0.000 0.930 540 Q CB 0.726 29.458 28.738 -0.010 0.000 1.193 540 Q HN 0.315 nan 8.270 nan 0.000 0.508 541 D N 1.143 121.539 120.400 -0.007 0.000 2.423 541 D HA -0.051 4.589 4.640 0.001 0.000 0.238 541 D C 0.780 177.072 176.300 -0.014 0.000 1.142 541 D CA 0.311 54.305 54.000 -0.010 0.000 0.884 541 D CB 0.774 41.570 40.800 -0.006 0.000 1.199 541 D HN 0.520 nan 8.370 nan 0.000 0.438 542 I N 0.994 121.553 120.570 -0.019 0.000 2.700 542 I HA -0.238 3.933 4.170 0.001 0.000 0.261 542 I C 0.940 177.057 176.117 -0.000 0.000 1.219 542 I CA 1.161 62.450 61.300 -0.018 0.000 1.463 542 I CB 0.179 38.159 38.000 -0.033 0.000 1.092 542 I HN 0.283 nan 8.210 nan 0.000 0.452 543 D N -0.890 119.507 120.400 -0.005 0.000 2.501 543 D HA -0.007 4.633 4.640 0.001 0.000 0.226 543 D C 1.472 177.763 176.300 -0.014 0.000 1.198 543 D CA 0.588 54.589 54.000 0.002 0.000 0.830 543 D CB -0.238 40.557 40.800 -0.008 0.000 1.014 543 D HN 0.338 nan 8.370 nan 0.000 0.496 544 S N -0.466 115.221 115.700 -0.022 0.000 2.489 544 S HA 0.001 4.471 4.470 0.001 0.000 0.228 544 S C 1.487 176.033 174.600 -0.091 0.000 0.995 544 S CA 0.168 58.347 58.200 -0.036 0.000 0.934 544 S CB -0.033 63.153 63.200 -0.024 0.000 0.771 544 S HN 0.203 nan 8.310 nan 0.000 0.522 545 I N -0.732 119.739 120.570 -0.164 0.000 3.673 545 I HA 0.388 4.558 4.170 0.001 0.000 0.281 545 I C -0.440 175.344 176.117 -0.554 0.000 1.182 545 I CA 0.195 61.251 61.300 -0.407 0.000 1.391 545 I CB -0.672 36.946 38.000 -0.637 0.000 1.383 545 I HN 0.200 nan 8.210 nan 0.000 0.456 546 F N 2.250 122.145 119.950 -0.092 0.000 2.361 546 F HA 0.321 4.848 4.527 0.001 0.000 0.364 546 F C 0.209 175.952 175.800 -0.094 0.000 1.117 546 F CA -1.086 56.850 58.000 -0.106 0.000 1.071 546 F CB 0.654 39.542 39.000 -0.187 0.000 1.188 546 F HN -0.124 nan 8.300 nan 0.000 0.464 547 D N 4.483 124.903 120.400 0.033 0.000 2.441 547 D HA 0.198 4.838 4.640 0.001 0.000 0.221 547 D C -1.022 175.211 176.300 -0.112 0.000 1.156 547 D CA -0.365 53.605 54.000 -0.050 0.000 0.896 547 D CB 0.674 41.413 40.800 -0.102 0.000 1.028 547 D HN 0.365 nan 8.370 nan 0.000 0.509 548 L N 4.668 125.849 121.223 -0.070 0.000 2.276 548 L HA 0.478 4.818 4.340 0.001 0.000 0.286 548 L C -0.761 176.051 176.870 -0.096 0.000 1.061 548 L CA -0.108 54.672 54.840 -0.101 0.000 0.807 548 L CB 0.575 42.602 42.059 -0.053 0.000 1.177 548 L HN 0.197 nan 8.230 nan 0.000 0.429 549 R N 4.958 125.367 120.500 -0.152 0.000 2.513 549 R HA 0.711 5.052 4.340 0.001 0.000 0.301 549 R C -1.016 175.267 176.300 -0.029 0.000 0.968 549 R CA -0.685 55.413 56.100 -0.004 0.000 0.872 549 R CB 1.638 31.936 30.300 -0.003 0.000 1.177 549 R HN 0.750 nan 8.270 nan 0.000 0.444 550 A N 2.599 125.441 122.820 0.037 0.000 2.292 550 A HA 0.634 4.954 4.320 0.001 0.000 0.319 550 A C -0.422 177.098 177.584 -0.107 0.000 1.206 550 A CA -0.609 51.343 52.037 -0.141 0.000 0.835 550 A CB 1.108 20.001 19.000 -0.178 0.000 1.164 550 A HN 0.374 nan 8.150 nan 0.000 0.505 551 V N 3.086 122.804 119.914 -0.326 0.000 2.407 551 V HA 0.421 4.541 4.120 0.001 0.000 0.291 551 V C -0.965 175.115 176.094 -0.024 0.000 1.018 551 V CA -0.266 61.972 62.300 -0.103 0.000 0.842 551 V CB 0.593 32.222 31.823 -0.323 0.000 0.996 551 V HN 0.727 nan 8.190 nan 0.000 0.426 552 F N 6.271 126.423 119.950 0.337 0.000 2.397 552 F HA 0.506 5.033 4.527 0.001 0.000 0.331 552 F C -1.115 174.809 175.800 0.208 0.000 1.090 552 F CA -2.147 56.016 58.000 0.271 0.000 1.065 552 F CB 1.695 40.781 39.000 0.145 0.000 1.184 552 F HN 0.301 nan 8.300 nan 0.000 0.499 553 P HA -0.045 nan 4.420 nan 0.000 0.231 553 P C -0.166 177.068 177.300 -0.109 0.000 1.168 553 P CA 0.677 63.468 63.100 -0.516 0.000 0.779 553 P CB 0.358 31.457 31.700 -1.002 0.000 0.844 554 Q N 0.577 120.397 119.800 0.034 0.000 2.417 554 Q HA 0.428 4.768 4.340 0.001 0.000 0.241 554 Q C 0.473 176.517 176.000 0.074 0.000 1.008 554 Q CA -0.129 55.690 55.803 0.026 0.000 0.901 554 Q CB -0.116 28.623 28.738 0.001 0.000 1.259 554 Q HN 0.097 nan 8.270 nan 0.000 0.489 555 A N 1.246 124.084 122.820 0.030 0.000 2.466 555 A HA 0.087 4.408 4.320 0.001 0.000 0.238 555 A C 0.307 177.915 177.584 0.040 0.000 1.074 555 A CA 0.118 52.184 52.037 0.047 0.000 0.774 555 A CB -0.212 18.755 19.000 -0.056 0.000 1.015 555 A HN 0.914 nan 8.150 nan 0.000 0.498 556 Y N 0.436 120.771 120.300 0.059 0.000 2.315 556 Y HA -0.167 4.383 4.550 0.001 0.000 0.288 556 Y C 2.029 177.935 175.900 0.009 0.000 1.154 556 Y CA 1.745 59.873 58.100 0.047 0.000 1.229 556 Y CB -1.602 36.891 38.460 0.055 0.000 0.980 556 Y HN 0.558 nan 8.280 nan 0.000 0.540 557 T N -3.022 111.131 114.554 -0.670 0.000 3.072 557 T HA -0.037 4.313 4.350 0.001 0.000 0.266 557 T C 1.043 175.611 174.700 -0.219 0.000 1.127 557 T CA 1.186 62.999 62.100 -0.478 0.000 1.107 557 T CB -0.213 68.321 68.868 -0.557 0.000 0.910 557 T HN 0.324 nan 8.240 nan 0.000 0.513 558 E N 0.493 120.593 120.200 -0.166 0.000 2.481 558 E HA 0.258 4.608 4.350 0.001 0.000 0.198 558 E C -0.197 176.327 176.600 -0.128 0.000 1.027 558 E CA -0.081 56.246 56.400 -0.122 0.000 0.900 558 E CB 0.611 30.251 29.700 -0.101 0.000 0.993 558 E HN 0.361 nan 8.360 nan 0.000 0.482 559 V N 1.714 121.556 119.914 -0.120 0.000 2.334 559 V HA 0.483 4.603 4.120 0.001 0.000 0.267 559 V C 0.060 176.083 176.094 -0.118 0.000 1.040 559 V CA -0.854 61.337 62.300 -0.182 0.000 0.866 559 V CB 0.879 32.603 31.823 -0.165 0.000 1.019 559 V HN 0.129 nan 8.190 nan 0.000 0.468 560 A N 5.588 128.331 122.820 -0.127 0.000 2.415 560 A HA 0.506 4.827 4.320 0.001 0.000 0.309 560 A C 1.138 178.690 177.584 -0.055 0.000 1.356 560 A CA -0.352 51.641 52.037 -0.073 0.000 0.998 560 A CB 0.036 18.996 19.000 -0.066 0.000 1.145 560 A HN 0.899 nan 8.150 nan 0.000 0.545 561 L N 1.841 123.056 121.223 -0.014 0.000 2.043 561 L HA -0.210 4.131 4.340 0.001 0.000 0.212 561 L C 2.779 179.661 176.870 0.019 0.000 1.075 561 L CA 1.810 56.662 54.840 0.019 0.000 0.752 561 L CB -0.353 41.754 42.059 0.079 0.000 0.891 561 L HN 0.918 nan 8.230 nan 0.000 0.432 562 E N 0.226 120.436 120.200 0.017 0.000 2.333 562 E HA -0.221 4.130 4.350 0.001 0.000 0.198 562 E C 1.619 178.218 176.600 -0.001 0.000 1.007 562 E CA 1.764 58.173 56.400 0.014 0.000 0.845 562 E CB -0.498 29.209 29.700 0.012 0.000 0.766 562 E HN 0.597 nan 8.360 nan 0.000 0.507 563 T N -1.443 113.102 114.554 -0.015 0.000 3.086 563 T HA 0.285 4.635 4.350 0.001 0.000 0.250 563 T C 1.049 175.740 174.700 -0.015 0.000 1.074 563 T CA -0.387 61.701 62.100 -0.020 0.000 0.988 563 T CB -0.139 68.707 68.868 -0.037 0.000 0.988 563 T HN -0.005 nan 8.240 nan 0.000 0.530 564 L N 1.722 122.941 121.223 -0.008 0.000 2.421 564 L HA 0.481 4.822 4.340 0.001 0.000 0.263 564 L C -2.111 174.769 176.870 0.017 0.000 1.122 564 L CA -2.589 52.260 54.840 0.015 0.000 0.804 564 L CB 0.261 42.340 42.059 0.034 0.000 1.150 564 L HN -0.028 nan 8.230 nan 0.000 0.457 565 P HA 0.016 nan 4.420 nan 0.000 0.267 565 P C 0.052 177.350 177.300 -0.004 0.000 1.200 565 P CA -0.122 62.986 63.100 0.013 0.000 0.772 565 P CB 0.731 32.445 31.700 0.024 0.000 0.855 566 A N 2.260 125.068 122.820 -0.020 0.000 2.070 566 A HA -0.166 4.155 4.320 0.001 0.000 0.220 566 A C 1.810 179.368 177.584 -0.044 0.000 1.159 566 A CA 1.169 53.183 52.037 -0.038 0.000 0.656 566 A CB -1.224 17.751 19.000 -0.041 0.000 0.800 566 A HN 0.564 nan 8.150 nan 0.000 0.453 567 L N -0.668 120.534 121.223 -0.034 0.000 2.191 567 L HA -0.019 4.321 4.340 0.001 0.000 0.212 567 L C 1.863 178.716 176.870 -0.029 0.000 1.103 567 L CA 1.526 56.343 54.840 -0.038 0.000 0.769 567 L CB -0.263 41.772 42.059 -0.039 0.000 0.908 567 L HN 0.409 nan 8.230 nan 0.000 0.438 568 L N -1.331 119.885 121.223 -0.012 0.000 2.567 568 L HA 0.088 4.428 4.340 0.001 0.000 0.225 568 L C 0.391 177.239 176.870 -0.037 0.000 1.119 568 L CA 0.080 54.921 54.840 0.001 0.000 0.871 568 L CB 0.127 42.222 42.059 0.061 0.000 1.036 568 L HN 0.127 nan 8.230 nan 0.000 0.459 569 L N 1.475 122.651 121.223 -0.077 0.000 2.669 569 L HA 0.287 4.627 4.340 0.001 0.000 0.273 569 L C -2.373 174.395 176.870 -0.171 0.000 1.441 569 L CA -1.196 53.543 54.840 -0.169 0.000 0.745 569 L CB 1.156 43.115 42.059 -0.167 0.000 1.044 569 L HN -0.124 nan 8.230 nan 0.000 0.523 570 P HA 0.189 nan 4.420 nan 0.000 0.271 570 P C -2.641 174.592 177.300 -0.112 0.000 1.220 570 P CA -1.037 62.002 63.100 -0.102 0.000 0.768 570 P CB 0.616 32.275 31.700 -0.069 0.000 0.848 571 P HA 0.254 nan 4.420 nan 0.000 0.277 571 P C -0.640 176.632 177.300 -0.048 0.000 1.240 571 P CA -0.137 62.920 63.100 -0.072 0.000 0.798 571 P CB 1.020 32.688 31.700 -0.054 0.000 0.979 572 K N -0.520 119.861 120.400 -0.032 0.000 2.578 572 K HA 0.693 5.013 4.320 0.001 0.000 0.287 572 K C -0.201 176.399 176.600 0.000 0.000 1.010 572 K CA -0.793 55.485 56.287 -0.015 0.000 0.889 572 K CB 0.821 33.313 32.500 -0.014 0.000 1.514 572 K HN 0.687 nan 8.250 nan 0.000 0.424 573 G N 0.775 109.580 108.800 0.008 0.000 2.750 573 G HA2 -0.284 3.676 3.960 0.001 0.000 0.228 573 G HA3 -0.284 3.676 3.960 0.001 0.000 0.228 573 G C 0.190 175.101 174.900 0.017 0.000 1.367 573 G CA 0.340 45.451 45.100 0.019 0.000 0.871 573 G HN 0.720 nan 8.290 nan 0.000 0.560 574 Q N -0.611 119.204 119.800 0.025 0.000 2.369 574 Q HA 0.196 4.537 4.340 0.001 0.000 0.206 574 Q C 2.364 178.377 176.000 0.022 0.000 0.963 574 Q CA 1.266 57.082 55.803 0.023 0.000 0.894 574 Q CB 0.050 28.805 28.738 0.028 0.000 0.965 574 Q HN 0.533 nan 8.270 nan 0.000 0.475 575 L N -1.273 119.966 121.223 0.026 0.000 2.693 575 L HA 0.321 4.661 4.340 0.001 0.000 0.235 575 L C 0.943 177.823 176.870 0.017 0.000 1.127 575 L CA 0.136 54.991 54.840 0.025 0.000 0.914 575 L CB 0.305 42.386 42.059 0.036 0.000 1.193 575 L HN 0.295 nan 8.230 nan 0.000 0.502 576 G N 0.560 109.366 108.800 0.009 0.000 2.179 576 G HA2 -0.268 3.692 3.960 0.001 0.000 0.257 576 G HA3 -0.268 3.692 3.960 0.001 0.000 0.257 576 G C 0.386 175.282 174.900 -0.007 0.000 1.010 576 G CA -0.086 45.012 45.100 -0.003 0.000 0.736 576 G HN 0.118 nan 8.290 nan 0.000 0.513 577 M N 0.182 119.785 119.600 0.005 0.000 2.249 577 M HA 0.216 4.697 4.480 0.001 0.000 0.340 577 M C 1.055 177.332 176.300 -0.038 0.000 1.166 577 M CA -0.099 55.206 55.300 0.009 0.000 1.115 577 M CB 0.023 32.645 32.600 0.037 0.000 1.606 577 M HN 0.055 nan 8.290 nan 0.000 0.448 578 I N 2.160 122.681 120.570 -0.081 0.000 2.441 578 I HA 0.080 4.250 4.170 0.001 0.000 0.287 578 I C 0.435 176.371 176.117 -0.302 0.000 1.049 578 I CA -0.345 60.794 61.300 -0.269 0.000 1.381 578 I CB 0.399 38.080 38.000 -0.532 0.000 1.409 578 I HN 0.488 nan 8.210 nan 0.000 0.523 579 D N 5.953 126.193 120.400 -0.266 0.000 2.347 579 D HA 0.077 4.717 4.640 0.001 0.000 0.235 579 D C 0.023 176.181 176.300 -0.235 0.000 1.149 579 D CA -0.191 53.719 54.000 -0.150 0.000 0.850 579 D CB 0.531 41.284 40.800 -0.077 0.000 1.061 579 D HN 0.314 nan 8.370 nan 0.000 0.487 580 Y N 1.759 122.037 120.300 -0.036 0.000 2.470 580 Y HA 0.142 4.692 4.550 0.001 0.000 0.284 580 Y C 1.105 176.945 175.900 -0.099 0.000 1.188 580 Y CA 0.059 58.124 58.100 -0.058 0.000 1.269 580 Y CB 0.504 38.932 38.460 -0.054 0.000 1.094 580 Y HN 0.419 nan 8.280 nan 0.000 0.518 581 E N -0.224 119.992 120.200 0.027 0.000 2.496 581 E HA 0.075 4.426 4.350 0.001 0.000 0.202 581 E C 0.934 177.508 176.600 -0.043 0.000 1.021 581 E CA -0.017 56.365 56.400 -0.029 0.000 1.015 581 E CB 0.322 30.074 29.700 0.086 0.000 1.102 581 E HN 0.187 nan 8.360 nan 0.000 0.452 582 K N 0.170 120.524 120.400 -0.077 0.000 2.353 582 K HA 0.164 4.484 4.320 0.001 0.000 0.195 582 K C 0.313 176.908 176.600 -0.010 0.000 1.031 582 K CA 0.172 56.475 56.287 0.028 0.000 1.079 582 K CB 1.226 33.734 32.500 0.013 0.000 0.857 582 K HN -0.051 nan 8.250 nan 0.000 0.535 583 V N 2.067 121.804 119.914 -0.296 0.000 2.495 583 V HA 0.482 4.602 4.120 0.001 0.000 0.298 583 V C -0.734 175.036 176.094 -0.540 0.000 1.031 583 V CA -0.797 61.404 62.300 -0.164 0.000 0.871 583 V CB 1.116 32.961 31.823 0.037 0.000 0.988 583 V HN -0.075 nan 8.190 nan 0.000 0.432 584 F N 1.013 121.077 119.950 0.189 0.000 2.629 584 F HA 0.778 5.305 4.527 0.001 0.000 0.316 584 F C 0.407 176.370 175.800 0.272 0.000 1.081 584 F CA -0.551 57.558 58.000 0.183 0.000 0.954 584 F CB 2.369 41.435 39.000 0.110 0.000 1.337 584 F HN 0.390 nan 8.300 nan 0.000 0.474 585 S N 0.251 116.226 115.700 0.458 0.000 2.704 585 S HA 0.726 5.196 4.470 0.001 0.000 0.296 585 S C -2.852 171.974 174.600 0.376 0.000 1.138 585 S CA -1.392 57.056 58.200 0.415 0.000 0.875 585 S CB 2.710 66.128 63.200 0.363 0.000 1.151 585 S HN 0.194 nan 8.310 nan 0.000 0.500 586 P HA 0.269 nan 4.420 nan 0.000 0.278 586 P C -1.321 176.110 177.300 0.218 0.000 1.266 586 P CA -0.510 62.770 63.100 0.300 0.000 0.807 586 P CB 0.331 32.230 31.700 0.332 0.000 1.094 587 D N 0.869 121.364 120.400 0.159 0.000 2.352 587 D HA 0.082 4.722 4.640 0.001 0.000 0.245 587 D C 0.218 176.588 176.300 0.116 0.000 1.224 587 D CA 0.221 54.292 54.000 0.118 0.000 0.879 587 D CB -0.172 40.669 40.800 0.069 0.000 1.057 587 D HN 0.230 nan 8.370 nan 0.000 0.491 588 L N 3.633 124.933 121.223 0.130 0.000 2.766 588 L HA 0.178 4.518 4.340 0.001 0.000 0.242 588 L C 2.128 179.048 176.870 0.082 0.000 1.136 588 L CA -0.216 54.685 54.840 0.101 0.000 0.933 588 L CB 0.250 42.370 42.059 0.101 0.000 1.241 588 L HN 0.337 nan 8.230 nan 0.000 0.522 589 K N 0.526 120.979 120.400 0.089 0.000 2.067 589 K HA 0.035 4.355 4.320 0.001 0.000 0.203 589 K C 0.425 177.054 176.600 0.049 0.000 1.048 589 K CA 0.563 56.893 56.287 0.072 0.000 0.954 589 K CB 0.425 32.973 32.500 0.081 0.000 0.737 589 K HN 0.224 nan 8.250 nan 0.000 0.444 590 N N 1.493 120.219 118.700 0.043 0.000 2.434 590 N HA 0.149 4.889 4.740 0.001 0.000 0.272 590 N C -0.936 174.589 175.510 0.025 0.000 1.040 590 N CA -0.028 53.040 53.050 0.029 0.000 0.956 590 N CB 1.654 40.154 38.487 0.022 0.000 1.108 590 N HN 0.223 nan 8.380 nan 0.000 0.481 591 A N 1.051 123.882 122.820 0.019 0.000 2.540 591 A HA 0.387 4.707 4.320 0.001 0.000 0.239 591 A C 1.375 178.964 177.584 0.008 0.000 1.061 591 A CA 0.689 52.734 52.037 0.014 0.000 0.758 591 A CB -0.486 18.520 19.000 0.010 0.000 0.991 591 A HN 0.955 nan 8.150 nan 0.000 0.502 592 G N 1.046 109.851 108.800 0.008 0.000 2.179 592 G HA2 -0.221 3.739 3.960 0.001 0.000 0.257 592 G HA3 -0.221 3.739 3.960 0.001 0.000 0.257 592 G C 0.403 175.298 174.900 -0.008 0.000 1.010 592 G CA 0.659 45.758 45.100 -0.002 0.000 0.736 592 G HN 0.782 nan 8.290 nan 0.000 0.513 593 Q N -0.040 119.763 119.800 0.006 0.000 2.179 593 Q HA 0.142 4.482 4.340 0.001 0.000 0.213 593 Q C 0.190 176.206 176.000 0.026 0.000 0.833 593 Q CA -0.151 55.652 55.803 0.001 0.000 0.990 593 Q CB 0.671 29.413 28.738 0.006 0.000 1.132 593 Q HN 0.599 nan 8.270 nan 0.000 0.493 594 D N 1.295 121.725 120.400 0.049 0.000 2.339 594 D HA 0.025 4.665 4.640 0.001 0.000 0.256 594 D C 1.011 177.373 176.300 0.104 0.000 1.214 594 D CA -0.068 54.000 54.000 0.113 0.000 0.877 594 D CB 0.604 41.480 40.800 0.125 0.000 1.111 594 D HN 0.129 nan 8.370 nan 0.000 0.478 595 I N 3.691 124.338 120.570 0.129 0.000 2.335 595 I HA -0.275 3.896 4.170 0.001 0.000 0.251 595 I C 1.301 177.386 176.117 -0.054 0.000 1.129 595 I CA 1.014 62.323 61.300 0.014 0.000 1.402 595 I CB 0.017 38.051 38.000 0.057 0.000 1.069 595 I HN 0.312 nan 8.210 nan 0.000 0.424 596 F N 1.113 121.079 119.950 0.027 0.000 2.216 596 F HA -0.177 4.350 4.527 0.001 0.000 0.300 596 F C 2.525 178.284 175.800 -0.069 0.000 1.085 596 F CA 1.155 59.149 58.000 -0.009 0.000 1.326 596 F CB -0.345 38.689 39.000 0.057 0.000 1.027 596 F HN 0.118 nan 8.300 nan 0.000 0.497 597 E N 0.157 120.419 120.200 0.103 0.000 2.042 597 E HA -0.055 4.295 4.350 0.001 0.000 0.189 597 E C 2.495 179.044 176.600 -0.084 0.000 0.974 597 E CA 0.706 57.113 56.400 0.012 0.000 0.806 597 E CB -0.793 28.919 29.700 0.021 0.000 0.769 597 E HN 0.355 nan 8.360 nan 0.000 0.451 598 L N 0.659 121.813 121.223 -0.114 0.000 2.081 598 L HA -0.155 4.185 4.340 0.001 0.000 0.212 598 L C 2.037 178.715 176.870 -0.320 0.000 1.080 598 L CA 1.147 55.867 54.840 -0.199 0.000 0.754 598 L CB -0.240 41.690 42.059 -0.214 0.000 0.893 598 L HN -0.056 nan 8.230 nan 0.000 0.433 599 R N 0.112 120.368 120.500 -0.405 0.000 2.507 599 R HA 0.212 4.552 4.340 0.001 0.000 0.298 599 R C 0.722 176.727 176.300 -0.492 0.000 0.999 599 R CA 0.499 56.218 56.100 -0.636 0.000 1.082 599 R CB 0.244 29.922 30.300 -1.038 0.000 1.246 599 R HN 0.332 nan 8.270 nan 0.000 0.553 600 G N 2.285 110.908 108.800 -0.295 0.000 2.366 600 G HA2 -0.242 3.718 3.960 0.001 0.000 0.299 600 G HA3 -0.242 3.718 3.960 0.001 0.000 0.299 600 G C 0.198 174.995 174.900 -0.171 0.000 1.020 600 G CA -0.046 44.939 45.100 -0.192 0.000 1.026 600 G HN 0.173 nan 8.290 nan 0.000 0.512 601 I N 0.387 120.848 120.570 -0.182 0.000 2.529 601 I HA 0.148 4.318 4.170 0.001 0.000 0.284 601 I C 0.682 176.824 176.117 0.041 0.000 1.082 601 I CA -1.017 60.200 61.300 -0.139 0.000 1.406 601 I CB 1.107 38.946 38.000 -0.268 0.000 1.405 601 I HN 0.208 nan 8.210 nan 0.000 0.548 602 D N 6.672 127.104 120.400 0.053 0.000 2.342 602 D HA 0.049 4.690 4.640 0.001 0.000 0.260 602 D C 1.265 177.653 176.300 0.147 0.000 1.278 602 D CA -0.073 53.976 54.000 0.082 0.000 0.910 602 D CB 0.670 41.511 40.800 0.067 0.000 1.079 602 D HN 0.411 nan 8.370 nan 0.000 0.496 603 R N 2.221 122.812 120.500 0.151 0.000 2.096 603 R HA -0.143 4.197 4.340 0.001 0.000 0.235 603 R C 1.674 178.039 176.300 0.109 0.000 1.127 603 R CA 1.003 57.197 56.100 0.156 0.000 0.968 603 R CB 0.143 30.494 30.300 0.086 0.000 0.861 603 R HN 0.493 nan 8.270 nan 0.000 0.440 604 Q N -0.106 119.743 119.800 0.082 0.000 2.311 604 Q HA -0.044 4.296 4.340 0.001 0.000 0.203 604 Q C 1.763 177.808 176.000 0.075 0.000 0.954 604 Q CA 1.092 56.934 55.803 0.065 0.000 0.885 604 Q CB 0.297 29.063 28.738 0.047 0.000 0.963 604 Q HN 0.371 nan 8.270 nan 0.000 0.471 605 Q N -0.895 118.958 119.800 0.089 0.000 2.423 605 Q HA 0.237 4.577 4.340 0.001 0.000 0.231 605 Q C 0.773 176.841 176.000 0.112 0.000 0.894 605 Q CA 0.823 56.676 55.803 0.083 0.000 0.938 605 Q CB 0.822 29.601 28.738 0.068 0.000 1.079 605 Q HN 0.301 nan 8.270 nan 0.000 0.552 606 G N 1.093 109.989 108.800 0.161 0.000 2.782 606 G HA2 0.077 4.038 3.960 0.001 0.000 0.228 606 G HA3 0.077 4.038 3.960 0.001 0.000 0.228 606 G C -0.751 174.250 174.900 0.168 0.000 1.372 606 G CA -0.260 44.972 45.100 0.220 0.000 0.862 606 G HN 0.704 nan 8.290 nan 0.000 0.547 607 A N -1.595 121.350 122.820 0.208 0.000 2.594 607 A HA 0.775 5.095 4.320 0.001 0.000 0.296 607 A C -1.228 176.494 177.584 0.231 0.000 1.056 607 A CA 0.276 52.414 52.037 0.168 0.000 0.693 607 A CB 1.765 20.835 19.000 0.117 0.000 1.278 607 A HN 2.340 nan 8.150 nan 0.000 0.408 608 L N 2.281 123.599 121.223 0.158 0.000 2.298 608 L HA 0.720 5.060 4.340 0.001 0.000 0.284 608 L C -1.101 175.869 176.870 0.166 0.000 1.013 608 L CA -0.337 54.598 54.840 0.159 0.000 0.824 608 L CB 1.508 43.629 42.059 0.103 0.000 1.221 608 L HN 0.473 nan 8.230 nan 0.000 0.418 609 V N 6.258 126.303 119.914 0.219 0.000 2.328 609 V HA 0.396 4.516 4.120 0.001 0.000 0.278 609 V C -0.118 176.085 176.094 0.181 0.000 1.021 609 V CA -0.700 61.713 62.300 0.189 0.000 0.838 609 V CB 1.466 33.388 31.823 0.164 0.000 0.999 609 V HN 0.501 nan 8.190 nan 0.000 0.447 610 V N 6.290 126.309 119.914 0.175 0.000 2.406 610 V HA 0.428 4.549 4.120 0.001 0.000 0.272 610 V C 0.012 176.266 176.094 0.267 0.000 1.043 610 V CA -0.326 62.127 62.300 0.256 0.000 0.915 610 V CB 1.582 33.569 31.823 0.272 0.000 0.988 610 V HN 0.613 nan 8.190 nan 0.000 0.466 611 V N 5.884 125.936 119.914 0.231 0.000 2.540 611 V HA 0.504 4.625 4.120 0.001 0.000 0.302 611 V C 0.249 176.282 176.094 -0.101 0.000 1.035 611 V CA -1.017 61.328 62.300 0.074 0.000 0.873 611 V CB 1.954 33.743 31.823 -0.058 0.000 0.992 611 V HN 0.850 nan 8.190 nan 0.000 0.428 612 R N 4.168 124.431 120.500 -0.395 0.000 2.726 612 R HA 0.249 4.590 4.340 0.001 0.000 0.272 612 R C -1.751 173.849 176.300 -1.168 0.000 1.097 612 R CA -1.252 54.092 56.100 -1.259 0.000 1.198 612 R CB 0.106 29.810 30.300 -0.994 0.000 1.114 612 R HN 0.408 nan 8.270 nan 0.000 0.550 613 P HA -0.112 nan 4.420 nan 0.000 0.228 613 P C -0.356 176.334 177.300 -1.017 0.000 1.151 613 P CA 1.120 63.468 63.100 -1.253 0.000 0.770 613 P CB 0.105 30.959 31.700 -1.410 0.000 0.786 614 D N -1.797 118.000 120.400 -1.005 0.000 2.342 614 D HA -0.000 4.640 4.640 0.001 0.000 0.221 614 D C 0.474 176.663 176.300 -0.185 0.000 1.101 614 D CA -0.216 53.312 54.000 -0.787 0.000 0.837 614 D CB -0.680 39.948 40.800 -0.286 0.000 0.938 614 D HN 0.085 nan 8.370 nan 0.000 0.508 615 Q N -1.905 117.759 119.800 -0.227 0.000 2.385 615 Q HA -0.244 4.097 4.340 0.001 0.000 0.215 615 Q C -0.875 175.013 176.000 -0.187 0.000 0.671 615 Q CA 0.709 56.436 55.803 -0.128 0.000 1.335 615 Q CB -2.293 26.436 28.738 -0.015 0.000 1.425 615 Q HN 0.472 nan 8.270 nan 0.000 0.781 616 Y N 0.211 120.522 120.300 0.019 0.000 2.308 616 Y HA 0.370 4.921 4.550 0.001 0.000 0.329 616 Y C 0.812 176.777 175.900 0.108 0.000 1.111 616 Y CA -0.720 57.449 58.100 0.115 0.000 1.179 616 Y CB 1.113 39.711 38.460 0.230 0.000 1.201 616 Y HN -0.149 nan 8.280 nan 0.000 0.483 617 V N 4.289 124.359 119.914 0.260 0.000 2.521 617 V HA 0.085 4.205 4.120 0.001 0.000 0.286 617 V C 0.703 176.944 176.094 0.245 0.000 1.034 617 V CA 0.727 63.167 62.300 0.234 0.000 1.045 617 V CB 0.540 32.504 31.823 0.235 0.000 0.974 617 V HN 1.068 nan 8.190 nan 0.000 0.480 618 A N 4.403 127.358 122.820 0.225 0.000 1.973 618 A HA 0.269 4.590 4.320 0.001 0.000 0.210 618 A C 0.767 178.376 177.584 0.042 0.000 1.200 618 A CA 0.403 52.563 52.037 0.204 0.000 0.707 618 A CB 0.327 19.554 19.000 0.378 0.000 0.862 618 A HN 0.700 nan 8.150 nan 0.000 0.461 619 Q N -1.040 118.774 119.800 0.023 0.000 2.418 619 Q HA 0.551 4.891 4.340 0.001 0.000 0.282 619 Q C -1.865 174.164 176.000 0.048 0.000 1.044 619 Q CA -0.456 55.321 55.803 -0.044 0.000 0.813 619 Q CB 2.279 30.883 28.738 -0.224 0.000 1.428 619 Q HN 0.028 nan 8.270 nan 0.000 0.402 620 V N 2.771 122.720 119.914 0.060 0.000 2.419 620 V HA 0.479 4.599 4.120 0.001 0.000 0.287 620 V C -0.600 175.533 176.094 0.065 0.000 1.017 620 V CA -0.351 62.005 62.300 0.093 0.000 0.844 620 V CB 1.310 33.206 31.823 0.121 0.000 1.011 620 V HN 0.531 nan 8.190 nan 0.000 0.429 621 L N 5.758 126.993 121.223 0.020 0.000 2.323 621 L HA 0.677 5.017 4.340 0.001 0.000 0.265 621 L C -2.604 174.200 176.870 -0.110 0.000 1.012 621 L CA -2.265 52.526 54.840 -0.081 0.000 0.820 621 L CB 2.685 44.706 42.059 -0.064 0.000 1.334 621 L HN 0.335 nan 8.230 nan 0.000 0.427 622 P HA 0.158 nan 4.420 nan 0.000 0.271 622 P C 0.625 177.884 177.300 -0.068 0.000 1.216 622 P CA -0.232 62.765 63.100 -0.171 0.000 0.776 622 P CB 0.683 32.221 31.700 -0.270 0.000 0.881 623 L N 1.932 123.155 121.223 -0.001 0.000 2.127 623 L HA -0.140 4.200 4.340 0.001 0.000 0.211 623 L C 2.288 179.191 176.870 0.055 0.000 1.089 623 L CA 2.016 56.890 54.840 0.057 0.000 0.757 623 L CB -0.981 41.128 42.059 0.083 0.000 0.899 623 L HN 0.575 nan 8.230 nan 0.000 0.434 624 G N -1.912 106.842 108.800 -0.076 0.000 2.813 624 G HA2 -0.149 3.811 3.960 0.001 0.000 0.209 624 G HA3 -0.149 3.811 3.960 0.001 0.000 0.209 624 G C 0.457 175.066 174.900 -0.484 0.000 1.150 624 G CA -0.123 44.792 45.100 -0.308 0.000 0.785 624 G HN 0.153 nan 8.290 nan 0.000 0.535 625 D N 0.337 120.591 120.400 -0.242 0.000 2.619 625 D HA 0.127 4.767 4.640 0.001 0.000 0.224 625 D C 1.197 177.414 176.300 -0.139 0.000 1.133 625 D CA -0.310 53.563 54.000 -0.212 0.000 1.017 625 D CB -0.423 40.280 40.800 -0.161 0.000 1.077 625 D HN 0.493 nan 8.370 nan 0.000 0.503 626 H N 0.604 119.469 119.070 -0.341 0.000 2.387 626 H HA -0.096 4.460 4.556 0.001 0.000 0.299 626 H C 1.958 177.077 175.328 -0.349 0.000 1.090 626 H CA 0.903 56.583 56.048 -0.613 0.000 1.332 626 H CB 0.513 29.459 29.762 -1.359 0.000 1.386 626 H HN 0.408 nan 8.280 nan 0.000 0.516 627 A N 1.370 124.122 122.820 -0.114 0.000 1.902 627 A HA -0.137 4.183 4.320 0.001 0.000 0.217 627 A C 2.565 180.164 177.584 0.025 0.000 1.181 627 A CA 1.427 53.450 52.037 -0.023 0.000 0.623 627 A CB -0.851 18.131 19.000 -0.030 0.000 0.818 627 A HN 0.466 nan 8.150 nan 0.000 0.443 628 A N -0.683 122.141 122.820 0.006 0.000 1.930 628 A HA 0.030 4.351 4.320 0.001 0.000 0.217 628 A C 2.115 179.741 177.584 0.071 0.000 1.175 628 A CA 1.617 53.674 52.037 0.034 0.000 0.627 628 A CB -0.569 18.434 19.000 0.005 0.000 0.815 628 A HN 0.649 nan 8.150 nan 0.000 0.443 629 L N -0.024 121.245 121.223 0.077 0.000 2.017 629 L HA -0.111 4.229 4.340 0.001 0.000 0.208 629 L C 2.518 179.535 176.870 0.244 0.000 1.073 629 L CA 2.592 57.525 54.840 0.154 0.000 0.745 629 L CB -0.719 41.448 42.059 0.179 0.000 0.894 629 L HN 0.286 nan 8.230 nan 0.000 0.432 630 S N -0.178 115.662 115.700 0.234 0.000 2.356 630 S HA -0.168 4.303 4.470 0.001 0.000 0.223 630 S C 2.094 176.814 174.600 0.200 0.000 1.032 630 S CA 1.206 59.560 58.200 0.258 0.000 1.005 630 S CB -0.703 62.645 63.200 0.245 0.000 0.867 630 S HN 0.678 nan 8.310 nan 0.000 0.449 631 A N 0.445 123.350 122.820 0.143 0.000 1.940 631 A HA -0.154 4.167 4.320 0.001 0.000 0.219 631 A C 1.896 179.536 177.584 0.094 0.000 1.176 631 A CA 1.671 53.773 52.037 0.110 0.000 0.631 631 A CB -1.009 18.048 19.000 0.094 0.000 0.814 631 A HN 0.663 nan 8.150 nan 0.000 0.446 632 Y N -0.798 119.462 120.300 -0.066 0.000 2.070 632 Y HA -0.282 4.268 4.550 0.000 0.000 0.280 632 Y C 2.057 177.770 175.900 -0.313 0.000 1.148 632 Y CA 2.264 60.255 58.100 -0.181 0.000 1.125 632 Y CB -0.369 37.877 38.460 -0.357 0.000 0.975 632 Y HN 0.291 nan 8.280 nan 0.000 0.492 633 F N 0.583 120.322 119.950 -0.351 0.000 2.234 633 F HA -0.163 4.365 4.527 0.001 0.000 0.299 633 F C 2.311 177.647 175.800 -0.773 0.000 1.087 633 F CA 1.003 58.489 58.000 -0.857 0.000 1.340 633 F CB -0.189 38.536 39.000 -0.459 0.000 1.031 633 F HN 0.099 nan 8.300 nan 0.000 0.500 634 E N 0.135 120.297 120.200 -0.064 0.000 2.265 634 E HA -0.162 4.188 4.350 0.001 0.000 0.196 634 E C 2.282 178.818 176.600 -0.106 0.000 0.996 634 E CA 1.319 57.745 56.400 0.044 0.000 0.832 634 E CB -0.508 29.282 29.700 0.150 0.000 0.756 634 E HN 0.407 nan 8.360 nan 0.000 0.491 635 S N -0.026 115.585 115.700 -0.148 0.000 2.474 635 S HA -0.104 4.366 4.470 0.001 0.000 0.235 635 S C 1.468 176.100 174.600 0.053 0.000 0.997 635 S CA 0.927 59.119 58.200 -0.013 0.000 0.949 635 S CB -0.371 62.879 63.200 0.082 0.000 0.766 635 S HN 0.404 nan 8.310 nan 0.000 0.517 636 F N -1.993 117.847 119.950 -0.184 0.000 2.995 636 F HA 0.570 5.097 4.527 0.001 0.000 0.382 636 F C 0.133 175.805 175.800 -0.213 0.000 1.019 636 F CA -1.144 56.762 58.000 -0.157 0.000 1.078 636 F CB 0.008 38.933 39.000 -0.125 0.000 1.192 636 F HN -0.023 nan 8.300 nan 0.000 0.553 637 M N 2.021 121.108 119.600 -0.856 0.000 2.368 637 M HA 0.486 4.967 4.480 0.001 0.000 0.311 637 M C -0.354 175.617 176.300 -0.547 0.000 1.168 637 M CA -0.272 54.505 55.300 -0.872 0.000 1.044 637 M CB 1.470 33.042 32.600 -1.713 0.000 1.506 637 M HN 0.005 nan 8.290 nan 0.000 0.475 638 R N 0.425 120.767 120.500 -0.265 0.000 2.494 638 R HA 0.708 5.048 4.340 0.001 0.000 0.305 638 R C -0.759 175.714 176.300 0.288 0.000 0.959 638 R CA -0.607 55.523 56.100 0.050 0.000 0.864 638 R CB 1.806 32.119 30.300 0.022 0.000 1.159 638 R HN 0.807 nan 8.270 nan 0.000 0.446 639 A N 0.000 123.018 122.820 0.330 0.000 2.254 639 A HA 0.000 4.320 4.320 0.001 0.000 0.244 639 A CA 0.000 52.156 52.037 0.198 0.000 0.836 639 A CB 0.000 19.017 19.000 0.029 0.000 0.831 639 A HN 0.000 nan 8.150 nan 0.000 0.486