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 3hrz_1_A DATA FIRST_RESID 1 DATA SEQUENCE ALYTLITPAV LRTDTEEQIL VEAHGDSTPK QLDIFVHDFP RKQKTLFQTR DATA SEQUENCE VDMNPAGGML VTPTIEIPAK EVSTDXXXNQ YVVVQVTGPQ VRLEKVVLLS DATA SEQUENCE YQSSFLFIQT DKGIYTPGSP VLYRVFSMDH XXXXXXXTVI VEFQTPEGIL DATA SEQUENCE VSSNSVDLNF FWPYNLPDLV SLGTWRIVAK YEHSPENYTA YFDVRKYVLP DATA SEQUENCE SFEVRLQPSE KFFYIDGNEN FHVSITARYL YGEEVEGVAF VLFGVKIDDA DATA SEQUENCE KKSIPDSLTR IPIIDGDGKA TLKRDTFRSR FPNLNELVGH TLYASVTVMT DATA SEQUENCE ESGSDMVVTE QSGIHIVASP YQIHFTKTPK YFKPGMPYEL TVYVTNPDGS DATA SEQUENCE PAAHVPVVSE AFHSMGTTLS DGTAKLILNI PLNAQSLPIT VRTNHGDLPR DATA SEQUENCE ERQATKSMTA IAYQTQGGSG NYLHVAITST EIKPGDNLPV NFNVKGNANS DATA SEQUENCE LKQIKYFTYL ILNKGKIFKV GRQPRRDGQN LVTMNLHITP DLIPSFRFVA DATA SEQUENCE YYQVGNNEIV ADSVWVDVKD TCMGTLVVKG DNLIQMPGAA MKIKLEGDPG DATA SEQUENCE ARVGLVAVDK AVYVLNDKYK ISQAKIWDTI EKSDFGcTAG SGQNNLGVFE DATA SEQUENCE DAGLALTTST NLNTKQRSAA KcPQ 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.381 177.584 -0.338 0.000 1.274 1 A CA 0.000 51.890 52.037 -0.244 0.000 0.836 1 A CB 0.000 18.945 19.000 -0.091 0.000 0.831 2 L N 2.036 123.034 121.223 -0.375 0.000 2.295 2 L HA 0.727 5.064 4.340 -0.004 0.000 0.281 2 L C -1.698 175.011 176.870 -0.268 0.000 1.018 2 L CA -0.846 53.872 54.840 -0.203 0.000 0.841 2 L CB 0.333 42.395 42.059 0.005 0.000 1.218 2 L HN 0.262 nan 8.230 nan 0.000 0.424 3 Y N 2.445 122.809 120.300 0.107 0.000 2.330 3 Y HA 0.720 5.267 4.550 -0.004 0.000 0.336 3 Y C 0.691 176.635 175.900 0.073 0.000 1.036 3 Y CA -0.693 57.454 58.100 0.077 0.000 1.125 3 Y CB 1.844 40.326 38.460 0.037 0.000 1.194 3 Y HN 0.629 nan 8.280 nan 0.000 0.469 4 T N 1.274 115.954 114.554 0.211 0.000 2.893 4 T HA 0.663 5.011 4.350 -0.004 0.000 0.293 4 T C -1.587 173.162 174.700 0.081 0.000 1.027 4 T CA -0.833 61.339 62.100 0.119 0.000 0.988 4 T CB 1.690 70.643 68.868 0.142 0.000 1.043 4 T HN 0.486 nan 8.240 nan 0.000 0.461 5 L N 2.956 124.190 121.223 0.019 0.000 2.349 5 L HA 0.777 5.115 4.340 -0.004 0.000 0.278 5 L C -1.601 175.248 176.870 -0.035 0.000 0.996 5 L CA -0.937 53.908 54.840 0.008 0.000 0.825 5 L CB 1.062 43.126 42.059 0.009 0.000 1.243 5 L HN 0.830 nan 8.230 nan 0.000 0.412 6 I N 4.586 125.155 120.570 -0.002 0.000 2.436 6 I HA 0.580 4.747 4.170 -0.004 0.000 0.289 6 I C -0.083 176.050 176.117 0.027 0.000 1.010 6 I CA -0.271 61.027 61.300 -0.003 0.000 1.098 6 I CB 2.165 40.205 38.000 0.066 0.000 1.266 6 I HN 0.771 nan 8.210 nan 0.000 0.434 7 T N 3.049 117.614 114.554 0.018 0.000 2.916 7 T HA 0.618 4.966 4.350 -0.004 0.000 0.292 7 T C -2.891 171.833 174.700 0.041 0.000 1.064 7 T CA -2.601 59.510 62.100 0.019 0.000 1.011 7 T CB 1.957 70.817 68.868 -0.012 0.000 1.152 7 T HN 0.076 nan 8.240 nan 0.000 0.510 8 P HA 0.228 nan 4.420 nan 0.000 0.265 8 P C 0.527 177.811 177.300 -0.027 0.000 1.187 8 P CA -0.106 63.019 63.100 0.041 0.000 0.766 8 P CB 0.206 31.924 31.700 0.029 0.000 0.820 9 A N 2.772 125.576 122.820 -0.027 0.000 2.119 9 A HA 0.065 4.383 4.320 -0.004 0.000 0.217 9 A C 0.617 178.069 177.584 -0.220 0.000 1.153 9 A CA 1.179 53.171 52.037 -0.074 0.000 0.692 9 A CB -0.279 18.715 19.000 -0.009 0.000 0.799 9 A HN 0.420 nan 8.150 nan 0.000 0.458 10 V N 0.430 120.095 119.914 -0.416 0.000 2.577 10 V HA 0.391 4.509 4.120 -0.004 0.000 0.303 10 V C -0.719 175.098 176.094 -0.462 0.000 1.042 10 V CA -0.513 61.416 62.300 -0.619 0.000 0.872 10 V CB 1.717 32.732 31.823 -1.346 0.000 0.998 10 V HN 0.316 nan 8.190 nan 0.000 0.423 11 L N 4.906 125.945 121.223 -0.306 0.000 2.309 11 L HA 0.617 4.955 4.340 -0.004 0.000 0.282 11 L C 0.371 177.115 176.870 -0.210 0.000 1.036 11 L CA -0.486 54.231 54.840 -0.205 0.000 0.806 11 L CB 1.389 43.347 42.059 -0.168 0.000 1.220 11 L HN 0.537 nan 8.230 nan 0.000 0.429 12 R N 0.716 121.130 120.500 -0.142 0.000 2.457 12 R HA 0.377 4.714 4.340 -0.004 0.000 0.284 12 R C -0.026 176.153 176.300 -0.200 0.000 1.024 12 R CA -0.611 55.393 56.100 -0.161 0.000 1.025 12 R CB 1.327 31.564 30.300 -0.104 0.000 1.063 12 R HN 0.657 nan 8.270 nan 0.000 0.493 13 T N -0.822 113.579 114.554 -0.256 0.000 2.860 13 T HA 0.036 4.383 4.350 -0.004 0.000 0.299 13 T C 0.153 174.747 174.700 -0.176 0.000 1.045 13 T CA -0.651 61.316 62.100 -0.221 0.000 1.071 13 T CB 0.487 69.220 68.868 -0.225 0.000 0.985 13 T HN 0.664 nan 8.240 nan 0.000 0.537 14 D N -0.633 119.696 120.400 -0.117 0.000 2.751 14 D HA -0.140 4.497 4.640 -0.004 0.000 0.233 14 D C -0.040 176.213 176.300 -0.077 0.000 1.149 14 D CA 1.562 55.514 54.000 -0.080 0.000 0.682 14 D CB -1.419 39.338 40.800 -0.072 0.000 1.068 14 D HN 0.835 nan 8.370 nan 0.000 0.429 15 T N -0.563 113.941 114.554 -0.084 0.000 2.942 15 T HA 0.142 4.490 4.350 -0.004 0.000 0.327 15 T C -1.247 173.417 174.700 -0.061 0.000 1.360 15 T CA -0.685 61.382 62.100 -0.054 0.000 1.055 15 T CB 1.589 70.426 68.868 -0.052 0.000 1.261 15 T HN -0.107 nan 8.240 nan 0.000 0.485 16 E N 3.309 123.492 120.200 -0.029 0.000 2.491 16 E HA 0.062 4.409 4.350 -0.004 0.000 0.250 16 E C -0.265 176.311 176.600 -0.041 0.000 1.061 16 E CA 0.465 56.841 56.400 -0.040 0.000 0.942 16 E CB 0.365 30.066 29.700 0.003 0.000 0.957 16 E HN 0.418 nan 8.360 nan 0.000 0.480 17 E N 3.345 123.489 120.200 -0.093 0.000 2.149 17 E HA 0.118 4.466 4.350 -0.004 0.000 0.255 17 E C -0.222 176.334 176.600 -0.074 0.000 0.888 17 E CA -0.494 55.864 56.400 -0.070 0.000 0.742 17 E CB 1.303 30.944 29.700 -0.098 0.000 1.164 17 E HN 0.371 nan 8.360 nan 0.000 0.422 18 Q N 2.519 122.301 119.800 -0.030 0.000 2.300 18 Q HA 0.205 4.543 4.340 -0.004 0.000 0.280 18 Q C 0.447 176.436 176.000 -0.018 0.000 1.033 18 Q CA 0.409 56.194 55.803 -0.029 0.000 0.903 18 Q CB 0.665 29.391 28.738 -0.019 0.000 1.195 18 Q HN 0.552 nan 8.270 nan 0.000 0.386 19 I N -0.598 119.958 120.570 -0.023 0.000 3.170 19 I HA 0.687 4.855 4.170 -0.004 0.000 0.312 19 I C -1.343 174.775 176.117 0.003 0.000 1.085 19 I CA -1.417 59.880 61.300 -0.005 0.000 0.999 19 I CB 1.557 39.550 38.000 -0.012 0.000 1.233 19 I HN 0.381 nan 8.210 nan 0.000 0.467 20 L N 3.234 124.469 121.223 0.020 0.000 2.404 20 L HA 0.673 5.011 4.340 -0.004 0.000 0.272 20 L C -1.427 175.464 176.870 0.036 0.000 0.980 20 L CA -0.369 54.486 54.840 0.026 0.000 0.836 20 L CB 1.686 43.779 42.059 0.056 0.000 1.238 20 L HN 0.515 nan 8.230 nan 0.000 0.408 21 V N 4.419 124.345 119.914 0.021 0.000 2.495 21 V HA 0.635 4.753 4.120 -0.004 0.000 0.298 21 V C -0.425 175.678 176.094 0.015 0.000 1.031 21 V CA -0.550 61.769 62.300 0.031 0.000 0.871 21 V CB 1.847 33.683 31.823 0.022 0.000 0.988 21 V HN 0.792 nan 8.190 nan 0.000 0.432 22 E N 2.108 122.325 120.200 0.028 0.000 2.314 22 E HA 0.780 5.128 4.350 -0.004 0.000 0.272 22 E C -0.938 175.617 176.600 -0.074 0.000 0.884 22 E CA -0.787 55.566 56.400 -0.078 0.000 0.753 22 E CB 2.514 32.131 29.700 -0.138 0.000 1.213 22 E HN 0.824 nan 8.360 nan 0.000 0.432 23 A N 3.205 125.939 122.820 -0.144 0.000 2.304 23 A HA 0.474 4.792 4.320 -0.004 0.000 0.314 23 A C -1.098 176.308 177.584 -0.295 0.000 1.187 23 A CA -0.653 51.315 52.037 -0.115 0.000 0.810 23 A CB 0.502 19.583 19.000 0.135 0.000 1.183 23 A HN 0.573 nan 8.150 nan 0.000 0.487 24 H N 1.021 120.054 119.070 -0.062 0.000 2.457 24 H HA 0.477 5.031 4.556 -0.004 0.000 0.335 24 H C 1.086 176.368 175.328 -0.076 0.000 1.115 24 H CA 0.457 56.515 56.048 0.016 0.000 1.219 24 H CB 1.748 31.551 29.762 0.069 0.000 1.471 24 H HN 1.324 nan 8.280 nan 0.000 0.491 25 G N 2.691 111.550 108.800 0.097 0.000 2.176 25 G HA2 -0.241 3.716 3.960 -0.004 0.000 0.252 25 G HA3 -0.241 3.716 3.960 -0.004 0.000 0.252 25 G C -0.326 174.570 174.900 -0.007 0.000 1.024 25 G CA 0.517 45.634 45.100 0.028 0.000 0.755 25 G HN 0.724 nan 8.290 nan 0.000 0.507 26 D N -0.613 119.788 120.400 0.002 0.000 2.763 26 D HA 0.523 5.161 4.640 -0.004 0.000 0.235 26 D C 0.725 177.047 176.300 0.036 0.000 1.334 26 D CA 0.098 54.112 54.000 0.023 0.000 0.950 26 D CB 0.923 41.747 40.800 0.040 0.000 1.433 26 D HN 0.316 nan 8.370 nan 0.000 0.580 27 S N 1.208 116.929 115.700 0.035 0.000 2.602 27 S HA 0.214 4.682 4.470 -0.004 0.000 0.240 27 S C 0.258 174.874 174.600 0.026 0.000 0.992 27 S CA -0.444 57.771 58.200 0.025 0.000 0.971 27 S CB 0.015 63.227 63.200 0.020 0.000 0.855 27 S HN 0.299 nan 8.310 nan 0.000 0.481 28 T N 5.298 119.877 114.554 0.041 0.000 2.743 28 T HA 0.418 4.765 4.350 -0.004 0.000 0.293 28 T C -2.777 171.943 174.700 0.032 0.000 0.945 28 T CA -1.262 60.860 62.100 0.036 0.000 1.030 28 T CB 0.973 69.868 68.868 0.046 0.000 0.912 28 T HN 0.139 nan 8.240 nan 0.000 0.483 29 P HA 0.214 nan 4.420 nan 0.000 0.265 29 P C -0.462 176.840 177.300 0.004 0.000 1.193 29 P CA -0.076 63.028 63.100 0.006 0.000 0.765 29 P CB 0.473 32.173 31.700 -0.000 0.000 0.823 30 K N 2.365 122.763 120.400 -0.002 0.000 2.498 30 K HA 0.305 4.622 4.320 -0.004 0.000 0.254 30 K C -0.652 175.935 176.600 -0.021 0.000 0.933 30 K CA -0.776 55.504 56.287 -0.012 0.000 0.806 30 K CB 2.305 34.797 32.500 -0.015 0.000 1.301 30 K HN 0.370 nan 8.250 nan 0.000 0.432 31 Q N 2.531 122.315 119.800 -0.026 0.000 2.322 31 Q HA 0.350 4.687 4.340 -0.004 0.000 0.256 31 Q C -0.758 175.217 176.000 -0.042 0.000 0.960 31 Q CA -0.212 55.570 55.803 -0.034 0.000 0.934 31 Q CB 0.848 29.567 28.738 -0.031 0.000 1.200 31 Q HN 0.263 nan 8.270 nan 0.000 0.435 32 L N 2.623 123.816 121.223 -0.050 0.000 2.307 32 L HA 0.420 4.758 4.340 -0.004 0.000 0.284 32 L C -0.295 176.521 176.870 -0.089 0.000 1.023 32 L CA -0.888 53.917 54.840 -0.058 0.000 0.810 32 L CB 1.360 43.389 42.059 -0.049 0.000 1.231 32 L HN 0.484 nan 8.230 nan 0.000 0.423 33 D N 4.266 124.605 120.400 -0.101 0.000 2.225 33 D HA 0.366 5.004 4.640 -0.004 0.000 0.248 33 D C -0.273 175.855 176.300 -0.286 0.000 1.096 33 D CA -0.150 53.703 54.000 -0.246 0.000 0.863 33 D CB 2.394 43.062 40.800 -0.220 0.000 1.156 33 D HN 0.140 nan 8.370 nan 0.000 0.450 34 I N 2.756 123.086 120.570 -0.400 0.000 2.362 34 I HA 0.352 4.520 4.170 -0.004 0.000 0.289 34 I C -0.273 175.596 176.117 -0.414 0.000 0.994 34 I CA -0.549 60.610 61.300 -0.235 0.000 1.158 34 I CB 0.281 38.257 38.000 -0.040 0.000 1.315 34 I HN 0.114 nan 8.210 nan 0.000 0.451 35 F N 4.834 124.819 119.950 0.058 0.000 2.538 35 F HA 0.684 5.209 4.527 -0.003 0.000 0.325 35 F C 0.142 175.954 175.800 0.020 0.000 1.066 35 F CA -0.990 57.007 58.000 -0.005 0.000 0.946 35 F CB 2.076 41.083 39.000 0.012 0.000 1.199 35 F HN 0.014 nan 8.300 nan 0.000 0.473 36 V N 2.125 122.115 119.914 0.126 0.000 2.577 36 V HA 0.429 4.547 4.120 -0.004 0.000 0.303 36 V C -0.699 175.315 176.094 -0.134 0.000 1.042 36 V CA -0.777 61.567 62.300 0.074 0.000 0.872 36 V CB 1.533 33.427 31.823 0.119 0.000 0.998 36 V HN 0.711 nan 8.190 nan 0.000 0.423 37 H N 2.427 121.591 119.070 0.157 0.000 2.679 37 H HA 0.379 4.932 4.556 -0.005 0.000 0.367 37 H C -0.790 174.615 175.328 0.129 0.000 1.162 37 H CA -0.763 55.357 56.048 0.120 0.000 1.181 37 H CB 2.317 32.128 29.762 0.081 0.000 1.693 37 H HN 0.842 nan 8.280 nan 0.000 0.538 38 D N 1.263 121.800 120.400 0.229 0.000 2.443 38 D HA -0.029 4.608 4.640 -0.004 0.000 0.239 38 D C -0.379 176.062 176.300 0.236 0.000 1.136 38 D CA 0.148 54.264 54.000 0.194 0.000 0.879 38 D CB 0.987 41.864 40.800 0.129 0.000 1.195 38 D HN 0.198 nan 8.370 nan 0.000 0.443 39 F N 1.958 121.972 119.950 0.107 0.000 2.480 39 F HA 0.330 4.858 4.527 0.001 0.000 0.329 39 F C -1.704 174.141 175.800 0.075 0.000 1.091 39 F CA -2.163 55.886 58.000 0.083 0.000 0.972 39 F CB 2.175 41.231 39.000 0.094 0.000 1.150 39 F HN 0.129 nan 8.300 nan 0.000 0.467 40 P HA 0.054 nan 4.420 nan 0.000 0.259 40 P C 0.374 177.330 177.300 -0.573 0.000 1.233 40 P CA 0.436 62.642 63.100 -1.491 0.000 0.827 40 P CB 0.233 31.141 31.700 -1.320 0.000 1.154 41 R N 0.950 121.275 120.500 -0.292 0.000 2.275 41 R HA 0.139 4.477 4.340 -0.004 0.000 0.199 41 R C 0.599 176.831 176.300 -0.114 0.000 0.989 41 R CA -0.053 55.942 56.100 -0.174 0.000 1.016 41 R CB -0.660 29.571 30.300 -0.115 0.000 0.918 41 R HN -0.046 nan 8.270 nan 0.000 0.473 42 K N 1.153 121.515 120.400 -0.063 0.000 3.077 42 K HA -0.221 4.096 4.320 -0.004 0.000 0.264 42 K C 0.521 177.121 176.600 0.001 0.000 1.008 42 K CA 0.705 56.981 56.287 -0.018 0.000 0.740 42 K CB -0.889 31.502 32.500 -0.181 0.000 1.273 42 K HN 0.421 nan 8.250 nan 0.000 0.477 43 Q N 0.325 120.137 119.800 0.020 0.000 2.181 43 Q HA -0.140 4.198 4.340 -0.004 0.000 0.205 43 Q C 0.765 176.802 176.000 0.060 0.000 0.980 43 Q CA 1.708 57.524 55.803 0.022 0.000 0.862 43 Q CB -0.029 28.720 28.738 0.018 0.000 0.905 43 Q HN 0.690 nan 8.270 nan 0.000 0.429 44 K N -1.026 119.444 120.400 0.116 0.000 2.512 44 K HA 0.464 4.782 4.320 -0.004 0.000 0.263 44 K C -1.086 175.635 176.600 0.202 0.000 0.966 44 K CA -0.648 55.718 56.287 0.131 0.000 0.851 44 K CB 1.418 33.968 32.500 0.083 0.000 1.395 44 K HN -0.373 nan 8.250 nan 0.000 0.440 45 T N 2.774 117.403 114.554 0.125 0.000 2.794 45 T HA 0.128 4.476 4.350 -0.004 0.000 0.304 45 T C 0.915 175.614 174.700 -0.001 0.000 0.973 45 T CA -0.525 61.558 62.100 -0.028 0.000 0.972 45 T CB 0.227 69.110 68.868 0.025 0.000 0.952 45 T HN 0.364 nan 8.240 nan 0.000 0.509 46 L N 2.649 123.874 121.223 0.003 0.000 2.141 46 L HA 0.313 4.651 4.340 -0.004 0.000 0.209 46 L C 0.341 177.303 176.870 0.154 0.000 1.094 46 L CA 1.395 56.280 54.840 0.075 0.000 0.763 46 L CB -0.728 41.378 42.059 0.077 0.000 0.908 46 L HN 0.654 nan 8.230 nan 0.000 0.437 47 F N -1.374 118.541 119.950 -0.058 0.000 2.688 47 F HA 0.506 5.030 4.527 -0.006 0.000 0.308 47 F C -0.944 174.819 175.800 -0.062 0.000 1.117 47 F CA -0.888 57.082 58.000 -0.049 0.000 0.976 47 F CB 1.045 40.015 39.000 -0.049 0.000 1.291 47 F HN -0.110 nan 8.300 nan 0.000 0.439 48 Q N 3.907 123.041 119.800 -1.110 0.000 2.327 48 Q HA 0.535 4.872 4.340 -0.004 0.000 0.265 48 Q C -1.947 173.474 176.000 -0.964 0.000 0.993 48 Q CA -0.413 54.911 55.803 -0.798 0.000 0.885 48 Q CB 2.498 31.003 28.738 -0.388 0.000 1.379 48 Q HN 0.945 nan 8.270 nan 0.000 0.408 49 T N 1.693 115.857 114.554 -0.650 0.000 2.654 49 T HA 0.756 5.103 4.350 -0.004 0.000 0.289 49 T C -1.851 172.672 174.700 -0.295 0.000 1.062 49 T CA -0.553 61.309 62.100 -0.396 0.000 1.041 49 T CB 1.754 70.502 68.868 -0.199 0.000 1.417 49 T HN 0.631 nan 8.240 nan 0.000 0.510 50 R N 0.892 121.284 120.500 -0.181 0.000 2.604 50 R HA 0.742 5.080 4.340 -0.004 0.000 0.281 50 R C -2.051 174.198 176.300 -0.085 0.000 1.020 50 R CA -0.505 55.509 56.100 -0.143 0.000 0.899 50 R CB 1.775 31.996 30.300 -0.132 0.000 1.205 50 R HN 0.488 nan 8.270 nan 0.000 0.450 51 V N 2.122 121.994 119.914 -0.069 0.000 2.914 51 V HA 0.434 4.552 4.120 -0.004 0.000 0.314 51 V C -0.985 175.085 176.094 -0.041 0.000 1.084 51 V CA -0.980 61.293 62.300 -0.046 0.000 0.963 51 V CB 2.251 34.054 31.823 -0.035 0.000 1.025 51 V HN 0.726 nan 8.190 nan 0.000 0.432 52 D N 3.239 123.619 120.400 -0.034 0.000 2.317 52 D HA 0.417 5.054 4.640 -0.004 0.000 0.234 52 D C -0.395 175.888 176.300 -0.028 0.000 1.112 52 D CA 0.037 54.019 54.000 -0.029 0.000 0.840 52 D CB 1.647 42.431 40.800 -0.027 0.000 1.078 52 D HN 0.538 nan 8.370 nan 0.000 0.486 53 M N 3.358 122.944 119.600 -0.024 0.000 2.101 53 M HA 0.316 4.793 4.480 -0.004 0.000 0.340 53 M C -1.442 174.847 176.300 -0.018 0.000 1.057 53 M CA -0.478 54.809 55.300 -0.023 0.000 0.984 53 M CB 0.369 32.960 32.600 -0.014 0.000 1.560 53 M HN 0.284 nan 8.290 nan 0.000 0.435 54 N N 4.108 122.793 118.700 -0.026 0.000 2.571 54 N HA 0.661 5.399 4.740 -0.004 0.000 0.273 54 N C -2.879 172.612 175.510 -0.031 0.000 1.340 54 N CA -1.564 51.473 53.050 -0.021 0.000 0.789 54 N CB 0.689 39.164 38.487 -0.019 0.000 1.514 54 N HN 0.131 nan 8.380 nan 0.000 0.499 55 P HA -0.192 nan 4.420 nan 0.000 0.216 55 P C 1.034 178.311 177.300 -0.039 0.000 1.153 55 P CA 2.356 65.439 63.100 -0.029 0.000 0.858 55 P CB -0.121 31.570 31.700 -0.015 0.000 0.789 56 A N -0.555 122.246 122.820 -0.033 0.000 2.076 56 A HA -0.055 4.263 4.320 -0.004 0.000 0.220 56 A C 2.157 179.713 177.584 -0.047 0.000 1.160 56 A CA 1.867 53.884 52.037 -0.034 0.000 0.653 56 A CB -1.539 17.445 19.000 -0.027 0.000 0.801 56 A HN 0.331 nan 8.150 nan 0.000 0.455 57 G N -2.300 106.466 108.800 -0.056 0.000 3.337 57 G HA2 0.403 4.360 3.960 -0.004 0.000 0.246 57 G HA3 0.403 4.360 3.960 -0.004 0.000 0.246 57 G C 1.027 175.864 174.900 -0.105 0.000 1.131 57 G CA 0.407 45.464 45.100 -0.072 0.000 0.773 57 G HN 1.516 nan 8.290 nan 0.000 0.544 58 G N 0.513 109.244 108.800 -0.115 0.000 2.160 58 G HA2 -0.286 3.672 3.960 -0.004 0.000 0.251 58 G HA3 -0.286 3.672 3.960 -0.004 0.000 0.251 58 G C 0.859 175.650 174.900 -0.182 0.000 1.008 58 G CA 0.184 45.177 45.100 -0.179 0.000 0.724 58 G HN 0.715 nan 8.290 nan 0.000 0.514 59 M N -2.080 117.451 119.600 -0.114 0.000 2.302 59 M HA -0.180 4.298 4.480 -0.004 0.000 0.200 59 M C 0.230 176.458 176.300 -0.119 0.000 0.366 59 M CA 1.465 56.711 55.300 -0.091 0.000 0.440 59 M CB -1.907 30.648 32.600 -0.074 0.000 1.475 59 M HN 1.012 nan 8.290 nan 0.000 0.905 60 L N 0.087 121.240 121.223 -0.117 0.000 2.410 60 L HA 0.883 5.221 4.340 -0.004 0.000 0.270 60 L C -0.514 176.309 176.870 -0.079 0.000 0.983 60 L CA -0.763 54.010 54.840 -0.113 0.000 0.822 60 L CB 2.056 44.021 42.059 -0.156 0.000 1.285 60 L HN 0.089 nan 8.230 nan 0.000 0.409 61 V N 0.708 120.588 119.914 -0.056 0.000 2.789 61 V HA 0.743 4.861 4.120 -0.004 0.000 0.311 61 V C -0.131 175.940 176.094 -0.039 0.000 1.073 61 V CA 0.039 62.312 62.300 -0.045 0.000 0.921 61 V CB 1.692 33.495 31.823 -0.033 0.000 1.009 61 V HN 0.824 nan 8.190 nan 0.000 0.426 62 T N 0.981 115.509 114.554 -0.043 0.000 3.390 62 T HA 0.553 4.900 4.350 -0.004 0.000 0.351 62 T C -2.386 172.296 174.700 -0.031 0.000 1.759 62 T CA -1.416 60.660 62.100 -0.040 0.000 1.561 62 T CB 0.266 69.097 68.868 -0.061 0.000 1.011 62 T HN 0.706 nan 8.240 nan 0.000 0.689 63 P HA 0.296 nan 4.420 nan 0.000 0.271 63 P C -0.208 177.082 177.300 -0.017 0.000 1.218 63 P CA -0.032 63.069 63.100 0.001 0.000 0.780 63 P CB 0.498 32.214 31.700 0.026 0.000 0.901 64 T N 3.058 117.604 114.554 -0.013 0.000 2.767 64 T HA 0.522 4.870 4.350 -0.004 0.000 0.288 64 T C 0.494 175.085 174.700 -0.181 0.000 0.963 64 T CA -0.391 61.667 62.100 -0.070 0.000 1.019 64 T CB -0.060 68.781 68.868 -0.044 0.000 0.923 64 T HN 0.314 nan 8.240 nan 0.000 0.468 65 I N 0.356 120.700 120.570 -0.377 0.000 2.822 65 I HA 0.840 5.008 4.170 -0.004 0.000 0.312 65 I C -0.429 175.211 176.117 -0.795 0.000 1.011 65 I CA -0.964 59.736 61.300 -1.000 0.000 1.105 65 I CB 2.090 39.617 38.000 -0.788 0.000 1.291 65 I HN 0.519 nan 8.210 nan 0.000 0.474 66 E N 3.767 123.330 120.200 -1.062 0.000 2.291 66 E HA 0.508 4.856 4.350 -0.004 0.000 0.276 66 E C -1.792 174.657 176.600 -0.252 0.000 0.896 66 E CA -0.632 55.513 56.400 -0.424 0.000 0.774 66 E CB 2.311 31.891 29.700 -0.200 0.000 1.227 66 E HN 0.694 nan 8.360 nan 0.000 0.413 67 I N 5.909 126.385 120.570 -0.157 0.000 2.330 67 I HA 0.322 4.490 4.170 -0.004 0.000 0.286 67 I C -2.231 173.862 176.117 -0.039 0.000 1.025 67 I CA -2.276 58.979 61.300 -0.075 0.000 1.197 67 I CB 1.299 39.232 38.000 -0.111 0.000 1.358 67 I HN 0.274 nan 8.210 nan 0.000 0.467 68 P HA 0.118 nan 4.420 nan 0.000 0.276 68 P C 0.633 177.962 177.300 0.047 0.000 1.253 68 P CA -0.179 62.942 63.100 0.035 0.000 0.766 68 P CB 1.351 33.089 31.700 0.062 0.000 0.845 69 A N 5.018 127.872 122.820 0.057 0.000 1.986 69 A HA -0.243 4.074 4.320 -0.004 0.000 0.220 69 A C 1.746 179.444 177.584 0.190 0.000 1.171 69 A CA 1.553 53.677 52.037 0.145 0.000 0.640 69 A CB -0.852 18.258 19.000 0.184 0.000 0.811 69 A HN 0.488 nan 8.150 nan 0.000 0.451 70 K N -0.565 119.915 120.400 0.135 0.000 2.365 70 K HA -0.045 4.272 4.320 -0.004 0.000 0.199 70 K C 1.069 177.731 176.600 0.104 0.000 1.045 70 K CA 0.898 57.260 56.287 0.126 0.000 0.962 70 K CB 0.039 32.598 32.500 0.097 0.000 0.759 70 K HN 0.427 nan 8.250 nan 0.000 0.469 71 E N 0.358 120.614 120.200 0.093 0.000 2.442 71 E HA -0.034 4.314 4.350 -0.004 0.000 0.195 71 E C 1.003 177.652 176.600 0.080 0.000 1.030 71 E CA 0.439 56.886 56.400 0.078 0.000 0.869 71 E CB 0.630 30.372 29.700 0.071 0.000 0.857 71 E HN -0.007 nan 8.360 nan 0.000 0.505 72 V N 1.215 121.192 119.914 0.104 0.000 3.017 72 V HA 0.102 4.219 4.120 -0.004 0.000 0.354 72 V C 0.129 176.309 176.094 0.144 0.000 1.389 72 V CA 0.022 62.389 62.300 0.112 0.000 1.163 72 V CB 0.086 31.964 31.823 0.091 0.000 1.178 72 V HN 0.125 nan 8.190 nan 0.000 0.547 73 S N 0.928 116.668 115.700 0.066 0.000 2.655 73 S HA 0.679 5.147 4.470 -0.004 0.000 0.265 73 S C 0.246 174.684 174.600 -0.270 0.000 1.240 73 S CA 0.543 58.647 58.200 -0.160 0.000 0.986 73 S CB 1.395 64.549 63.200 -0.077 0.000 0.985 73 S HN 2.051 nan 8.310 nan 0.000 0.562 74 T N -2.035 112.153 114.554 -0.611 0.000 0.545 74 T HA -0.096 4.252 4.350 -0.004 0.000 0.773 74 T C -0.796 173.773 174.700 -0.219 0.000 0.992 74 T CA -0.100 61.796 62.100 -0.339 0.000 4.074 74 T CB -1.724 67.064 68.868 -0.133 0.000 2.301 74 T HN 0.922 nan 8.240 nan 0.000 0.398 80 Q N 1.562 121.323 119.800 -0.066 0.000 2.266 80 Q HA 0.555 4.893 4.340 -0.004 0.000 0.261 80 Q C -0.908 174.949 176.000 -0.239 0.000 0.985 80 Q CA -0.346 55.469 55.803 0.021 0.000 0.873 80 Q CB 2.067 30.886 28.738 0.135 0.000 1.306 80 Q HN 0.559 nan 8.270 nan 0.000 0.447 81 Y N -0.732 119.633 120.300 0.107 0.000 2.602 81 Y HA 0.628 5.173 4.550 -0.008 0.000 0.342 81 Y C 0.160 176.123 175.900 0.105 0.000 1.029 81 Y CA -1.046 57.096 58.100 0.070 0.000 1.080 81 Y CB 2.030 40.533 38.460 0.073 0.000 1.284 81 Y HN 0.395 nan 8.280 nan 0.000 0.485 82 V N -0.803 119.231 119.914 0.201 0.000 3.102 82 V HA 0.807 4.925 4.120 -0.004 0.000 0.312 82 V C -1.518 174.663 176.094 0.145 0.000 1.135 82 V CA -1.025 61.383 62.300 0.180 0.000 1.022 82 V CB 1.685 33.554 31.823 0.077 0.000 1.056 82 V HN 0.547 nan 8.190 nan 0.000 0.436 83 V N 2.787 122.817 119.914 0.194 0.000 2.357 83 V HA 0.611 4.729 4.120 -0.004 0.000 0.284 83 V C -0.374 175.814 176.094 0.156 0.000 1.018 83 V CA -0.264 62.125 62.300 0.149 0.000 0.841 83 V CB 1.587 33.549 31.823 0.232 0.000 0.991 83 V HN 0.866 nan 8.190 nan 0.000 0.437 84 V N 7.671 127.642 119.914 0.094 0.000 2.406 84 V HA 0.459 4.577 4.120 -0.004 0.000 0.272 84 V C 0.054 176.225 176.094 0.129 0.000 1.043 84 V CA -0.240 62.123 62.300 0.104 0.000 0.915 84 V CB 1.192 33.043 31.823 0.047 0.000 0.988 84 V HN 0.932 nan 8.190 nan 0.000 0.466 85 Q N 3.445 123.364 119.800 0.200 0.000 2.337 85 Q HA 0.643 4.980 4.340 -0.004 0.000 0.270 85 Q C -1.411 174.717 176.000 0.212 0.000 1.043 85 Q CA -0.636 55.296 55.803 0.216 0.000 0.794 85 Q CB 2.906 31.822 28.738 0.297 0.000 1.281 85 Q HN 0.578 nan 8.270 nan 0.000 0.446 86 V N 2.233 122.227 119.914 0.133 0.000 2.409 86 V HA 0.583 4.700 4.120 -0.004 0.000 0.291 86 V C -0.091 176.048 176.094 0.075 0.000 1.020 86 V CA -0.501 61.849 62.300 0.084 0.000 0.848 86 V CB 1.551 33.396 31.823 0.037 0.000 0.990 86 V HN 0.933 nan 8.190 nan 0.000 0.430 87 T N 1.226 115.831 114.554 0.084 0.000 2.906 87 T HA 0.966 5.314 4.350 -0.004 0.000 0.295 87 T C -0.193 174.510 174.700 0.005 0.000 1.061 87 T CA -0.186 61.948 62.100 0.057 0.000 1.000 87 T CB 2.253 71.201 68.868 0.134 0.000 1.103 87 T HN 1.312 nan 8.240 nan 0.000 0.486 88 G N 0.950 109.727 108.800 -0.038 0.000 2.342 88 G HA2 0.569 4.527 3.960 -0.004 0.000 0.297 88 G HA3 0.569 4.527 3.960 -0.004 0.000 0.297 88 G C -3.406 171.444 174.900 -0.083 0.000 1.313 88 G CA -1.051 44.016 45.100 -0.056 0.000 0.830 88 G HN 0.677 nan 8.290 nan 0.000 0.506 89 P HA 0.213 nan 4.420 nan 0.000 0.260 89 P C 0.149 177.376 177.300 -0.122 0.000 1.185 89 P CA 0.800 63.860 63.100 -0.066 0.000 0.763 89 P CB 0.505 32.182 31.700 -0.038 0.000 0.776 90 Q N -1.135 118.602 119.800 -0.106 0.000 2.348 90 Q HA -0.172 4.165 4.340 -0.004 0.000 0.221 90 Q C -0.524 175.282 176.000 -0.324 0.000 0.735 90 Q CA 0.647 56.368 55.803 -0.135 0.000 1.351 90 Q CB -1.734 26.976 28.738 -0.048 0.000 1.640 90 Q HN 0.291 nan 8.270 nan 0.000 0.667 91 V N 0.945 120.661 119.914 -0.330 0.000 2.444 91 V HA 0.570 4.687 4.120 -0.004 0.000 0.294 91 V C 0.046 176.042 176.094 -0.162 0.000 1.022 91 V CA -0.488 61.575 62.300 -0.396 0.000 0.850 91 V CB 1.909 33.461 31.823 -0.452 0.000 0.992 91 V HN 0.133 nan 8.190 nan 0.000 0.426 92 R N 5.405 125.845 120.500 -0.101 0.000 2.631 92 R HA 0.557 4.895 4.340 -0.004 0.000 0.289 92 R C -2.030 174.270 176.300 0.001 0.000 1.303 92 R CA -0.383 55.701 56.100 -0.027 0.000 0.989 92 R CB 1.336 31.628 30.300 -0.013 0.000 1.208 92 R HN 0.686 nan 8.270 nan 0.000 0.461 93 L N 2.342 123.575 121.223 0.018 0.000 2.342 93 L HA 0.617 4.955 4.340 -0.004 0.000 0.271 93 L C -0.303 176.590 176.870 0.039 0.000 1.008 93 L CA -0.719 54.138 54.840 0.028 0.000 0.818 93 L CB 2.221 44.300 42.059 0.033 0.000 1.296 93 L HN 0.542 nan 8.230 nan 0.000 0.427 94 E N 2.409 122.624 120.200 0.026 0.000 2.321 94 E HA 0.536 4.884 4.350 -0.004 0.000 0.278 94 E C -1.644 174.955 176.600 -0.001 0.000 0.902 94 E CA -0.874 55.545 56.400 0.031 0.000 0.758 94 E CB 2.441 32.162 29.700 0.035 0.000 1.213 94 E HN 0.379 nan 8.360 nan 0.000 0.426 95 K N 3.019 123.416 120.400 -0.005 0.000 2.581 95 K HA 0.324 4.642 4.320 -0.004 0.000 0.249 95 K C -1.859 174.697 176.600 -0.074 0.000 0.966 95 K CA -0.608 55.651 56.287 -0.046 0.000 0.811 95 K CB 2.025 34.501 32.500 -0.040 0.000 1.223 95 K HN 0.311 nan 8.250 nan 0.000 0.438 96 V N 4.554 124.368 119.914 -0.167 0.000 2.488 96 V HA 0.433 4.550 4.120 -0.004 0.000 0.277 96 V C -0.325 175.696 176.094 -0.122 0.000 1.046 96 V CA -0.574 61.563 62.300 -0.272 0.000 0.986 96 V CB 1.180 32.587 31.823 -0.693 0.000 0.989 96 V HN 0.492 nan 8.190 nan 0.000 0.475 97 V N 5.688 125.590 119.914 -0.020 0.000 2.709 97 V HA 0.393 4.511 4.120 -0.004 0.000 0.308 97 V C -0.260 175.846 176.094 0.020 0.000 1.062 97 V CA -0.859 61.443 62.300 0.004 0.000 0.901 97 V CB 1.947 33.739 31.823 -0.052 0.000 1.003 97 V HN 0.719 nan 8.190 nan 0.000 0.425 98 L N 4.304 125.482 121.223 -0.076 0.000 2.490 98 L HA 0.316 4.653 4.340 -0.004 0.000 0.274 98 L C -0.406 176.262 176.870 -0.337 0.000 1.201 98 L CA 0.520 55.133 54.840 -0.379 0.000 0.869 98 L CB 0.608 42.467 42.059 -0.334 0.000 1.123 98 L HN 0.625 nan 8.230 nan 0.000 0.484 99 L N 4.285 125.277 121.223 -0.385 0.000 2.325 99 L HA 0.564 4.902 4.340 -0.004 0.000 0.279 99 L C -0.152 176.518 176.870 -0.334 0.000 1.054 99 L CA 0.467 55.101 54.840 -0.343 0.000 0.804 99 L CB 1.645 43.490 42.059 -0.356 0.000 1.200 99 L HN 0.759 nan 8.230 nan 0.000 0.436 100 S N 2.497 118.003 115.700 -0.323 0.000 2.503 100 S HA 0.423 4.891 4.470 -0.004 0.000 0.301 100 S C 0.036 174.463 174.600 -0.289 0.000 1.087 100 S CA -0.393 57.688 58.200 -0.198 0.000 1.042 100 S CB 0.664 63.826 63.200 -0.063 0.000 1.043 100 S HN 0.518 nan 8.310 nan 0.000 0.489 101 Y N 1.828 122.099 120.300 -0.050 0.000 2.466 101 Y HA 0.290 4.837 4.550 -0.004 0.000 0.272 101 Y C 1.540 177.357 175.900 -0.137 0.000 1.169 101 Y CA 0.008 58.073 58.100 -0.057 0.000 1.285 101 Y CB 0.277 38.759 38.460 0.036 0.000 1.078 101 Y HN 0.590 nan 8.280 nan 0.000 0.523 102 Q N 0.690 120.477 119.800 -0.022 0.000 2.534 102 Q HA 0.056 4.394 4.340 -0.004 0.000 0.223 102 Q C 0.904 176.679 176.000 -0.375 0.000 1.239 102 Q CA -0.156 55.573 55.803 -0.124 0.000 0.936 102 Q CB 0.426 29.132 28.738 -0.052 0.000 1.457 102 Q HN 0.351 nan 8.270 nan 0.000 0.547 103 S N 0.638 115.865 115.700 -0.789 0.000 2.419 103 S HA -0.096 4.372 4.470 -0.004 0.000 0.233 103 S C 0.721 175.092 174.600 -0.382 0.000 1.016 103 S CA 0.930 58.753 58.200 -0.627 0.000 0.974 103 S CB 0.048 62.757 63.200 -0.818 0.000 0.786 103 S HN 0.754 nan 8.310 nan 0.000 0.492 104 S N -0.765 114.739 115.700 -0.326 0.000 2.724 104 S HA 0.641 5.108 4.470 -0.004 0.000 0.278 104 S C -1.661 172.800 174.600 -0.231 0.000 1.190 104 S CA -1.100 56.991 58.200 -0.182 0.000 0.860 104 S CB 0.289 63.541 63.200 0.087 0.000 1.206 104 S HN 0.029 nan 8.310 nan 0.000 0.507 105 F N 1.276 121.287 119.950 0.101 0.000 2.427 105 F HA 0.635 5.160 4.527 -0.002 0.000 0.346 105 F C -0.077 175.582 175.800 -0.235 0.000 1.120 105 F CA -0.696 57.259 58.000 -0.075 0.000 1.033 105 F CB 1.263 40.242 39.000 -0.035 0.000 1.126 105 F HN 0.396 nan 8.300 nan 0.000 0.462 106 L N 3.747 124.795 121.223 -0.291 0.000 2.334 106 L HA 0.606 4.944 4.340 -0.004 0.000 0.275 106 L C -1.067 175.208 176.870 -0.991 0.000 1.036 106 L CA -0.706 53.919 54.840 -0.359 0.000 0.807 106 L CB 1.316 43.251 42.059 -0.206 0.000 1.231 106 L HN 0.439 nan 8.230 nan 0.000 0.438 107 F N 1.984 121.757 119.950 -0.295 0.000 2.561 107 F HA 0.524 5.050 4.527 -0.003 0.000 0.313 107 F C -0.128 175.534 175.800 -0.230 0.000 1.126 107 F CA -0.489 57.107 58.000 -0.673 0.000 0.918 107 F CB 1.704 40.424 39.000 -0.466 0.000 1.199 107 F HN 0.162 nan 8.300 nan 0.000 0.444 108 I N 2.718 123.296 120.570 0.013 0.000 2.353 108 I HA 0.316 4.483 4.170 -0.004 0.000 0.293 108 I C -0.444 175.812 176.117 0.232 0.000 0.992 108 I CA -0.533 60.863 61.300 0.161 0.000 1.268 108 I CB 1.632 39.739 38.000 0.177 0.000 1.387 108 I HN 0.575 nan 8.210 nan 0.000 0.478 109 Q N 5.734 125.660 119.800 0.210 0.000 2.322 109 Q HA 0.435 4.773 4.340 -0.004 0.000 0.265 109 Q C -0.776 175.335 176.000 0.184 0.000 0.985 109 Q CA -0.671 55.268 55.803 0.227 0.000 0.849 109 Q CB 1.812 30.738 28.738 0.312 0.000 1.274 109 Q HN 0.784 nan 8.270 nan 0.000 0.449 110 T N -0.433 114.246 114.554 0.209 0.000 2.945 110 T HA 0.182 4.530 4.350 -0.004 0.000 0.286 110 T C 0.953 175.783 174.700 0.217 0.000 1.025 110 T CA -0.364 61.870 62.100 0.223 0.000 1.039 110 T CB 1.135 70.154 68.868 0.252 0.000 1.068 110 T HN 0.725 nan 8.240 nan 0.000 0.497 111 D N 0.772 121.303 120.400 0.218 0.000 2.178 111 D HA -0.075 4.563 4.640 -0.004 0.000 0.201 111 D C 0.363 176.727 176.300 0.107 0.000 0.980 111 D CA 0.974 55.065 54.000 0.152 0.000 0.842 111 D CB 0.212 41.087 40.800 0.126 0.000 0.948 111 D HN 0.639 nan 8.370 nan 0.000 0.472 112 K N -1.896 118.559 120.400 0.092 0.000 2.495 112 K HA 0.520 4.838 4.320 -0.004 0.000 0.268 112 K C 0.525 177.185 176.600 0.100 0.000 1.008 112 K CA -0.518 55.737 56.287 -0.054 0.000 0.882 112 K CB 1.890 34.130 32.500 -0.433 0.000 1.443 112 K HN -0.078 nan 8.250 nan 0.000 0.447 113 G N 0.325 109.216 108.800 0.150 0.000 3.042 113 G HA2 0.173 4.131 3.960 -0.004 0.000 0.212 113 G HA3 0.173 4.131 3.960 -0.004 0.000 0.212 113 G C 0.075 175.181 174.900 0.344 0.000 1.166 113 G CA 0.356 45.675 45.100 0.366 0.000 0.767 113 G HN 0.459 nan 8.290 nan 0.000 0.546 114 I N -0.731 119.844 120.570 0.008 0.000 2.644 114 I HA 0.595 4.762 4.170 -0.004 0.000 0.291 114 I C -1.834 174.230 176.117 -0.089 0.000 1.180 114 I CA -1.264 60.062 61.300 0.042 0.000 1.040 114 I CB 1.963 39.847 38.000 -0.194 0.000 1.255 114 I HN -0.011 nan 8.210 nan 0.000 0.422 115 Y N 3.640 124.147 120.300 0.345 0.000 2.536 115 Y HA 0.537 5.085 4.550 -0.003 0.000 0.347 115 Y C 0.364 176.477 175.900 0.354 0.000 1.000 115 Y CA -0.716 57.576 58.100 0.320 0.000 1.051 115 Y CB 2.296 40.827 38.460 0.119 0.000 1.259 115 Y HN 0.541 nan 8.280 nan 0.000 0.468 116 T N -0.512 114.211 114.554 0.283 0.000 2.918 116 T HA 0.486 4.833 4.350 -0.004 0.000 0.283 116 T C -2.771 171.982 174.700 0.089 0.000 1.001 116 T CA -2.433 59.715 62.100 0.080 0.000 1.041 116 T CB 1.307 70.069 68.868 -0.176 0.000 1.028 116 T HN 0.181 nan 8.240 nan 0.000 0.511 117 P HA 0.217 nan 4.420 nan 0.000 0.267 117 P C 1.105 178.408 177.300 0.005 0.000 1.195 117 P CA 1.209 64.335 63.100 0.042 0.000 0.773 117 P CB -0.059 31.670 31.700 0.049 0.000 0.837 118 G N 0.704 109.495 108.800 -0.016 0.000 2.160 118 G HA2 -0.179 3.779 3.960 -0.004 0.000 0.251 118 G HA3 -0.179 3.779 3.960 -0.004 0.000 0.251 118 G C 0.099 174.972 174.900 -0.045 0.000 1.008 118 G CA 0.333 45.411 45.100 -0.036 0.000 0.724 118 G HN 0.844 nan 8.290 nan 0.000 0.514 119 S N -0.620 115.054 115.700 -0.043 0.000 2.599 119 S HA 0.876 5.344 4.470 -0.004 0.000 0.294 119 S C -2.815 171.740 174.600 -0.076 0.000 1.094 119 S CA -1.538 56.650 58.200 -0.021 0.000 0.931 119 S CB 3.588 66.824 63.200 0.059 0.000 1.093 119 S HN 0.213 nan 8.310 nan 0.000 0.488 120 P HA 0.285 nan 4.420 nan 0.000 0.280 120 P C -0.906 176.322 177.300 -0.119 0.000 1.244 120 P CA -0.427 62.612 63.100 -0.102 0.000 0.784 120 P CB 0.951 32.621 31.700 -0.050 0.000 0.913 121 V N 5.349 125.098 119.914 -0.274 0.000 2.348 121 V HA 0.209 4.327 4.120 -0.004 0.000 0.270 121 V C 0.642 176.724 176.094 -0.020 0.000 1.037 121 V CA -0.452 61.581 62.300 -0.445 0.000 0.872 121 V CB 0.588 31.894 31.823 -0.861 0.000 1.002 121 V HN 0.379 nan 8.190 nan 0.000 0.464 122 L N 6.950 128.219 121.223 0.077 0.000 2.312 122 L HA 0.639 4.976 4.340 -0.004 0.000 0.281 122 L C -0.463 176.494 176.870 0.146 0.000 1.070 122 L CA -0.482 54.405 54.840 0.078 0.000 0.805 122 L CB 0.866 42.944 42.059 0.032 0.000 1.174 122 L HN 0.768 nan 8.230 nan 0.000 0.434 123 Y N 0.828 121.101 120.300 -0.044 0.000 2.597 123 Y HA 0.796 5.343 4.550 -0.004 0.000 0.340 123 Y C -1.058 174.613 175.900 -0.383 0.000 1.097 123 Y CA -1.422 56.600 58.100 -0.129 0.000 1.037 123 Y CB 1.510 39.918 38.460 -0.088 0.000 1.305 123 Y HN 0.390 nan 8.280 nan 0.000 0.463 124 R N 1.419 121.637 120.500 -0.470 0.000 2.750 124 R HA 0.791 5.129 4.340 -0.004 0.000 0.281 124 R C -1.798 173.959 176.300 -0.905 0.000 0.972 124 R CA -1.298 54.127 56.100 -1.125 0.000 0.912 124 R CB 2.769 32.587 30.300 -0.803 0.000 1.187 124 R HN 0.610 nan 8.270 nan 0.000 0.464 125 V N 3.488 122.628 119.914 -1.290 0.000 2.409 125 V HA 0.452 4.569 4.120 -0.004 0.000 0.291 125 V C -0.905 175.005 176.094 -0.308 0.000 1.020 125 V CA -0.587 61.459 62.300 -0.422 0.000 0.848 125 V CB 1.030 32.822 31.823 -0.051 0.000 0.990 125 V HN 0.513 nan 8.190 nan 0.000 0.430 126 F N 2.452 122.438 119.950 0.060 0.000 2.458 126 F HA 0.663 5.188 4.527 -0.004 0.000 0.330 126 F C 0.617 176.515 175.800 0.165 0.000 1.082 126 F CA -0.291 57.794 58.000 0.142 0.000 0.995 126 F CB 2.062 41.129 39.000 0.112 0.000 1.170 126 F HN 0.441 nan 8.300 nan 0.000 0.478 127 S N 2.967 118.901 115.700 0.389 0.000 2.503 127 S HA 0.367 4.835 4.470 -0.004 0.000 0.301 127 S C 0.799 175.603 174.600 0.340 0.000 1.087 127 S CA -0.810 57.573 58.200 0.305 0.000 1.042 127 S CB 1.041 64.368 63.200 0.212 0.000 1.043 127 S HN 0.661 nan 8.310 nan 0.000 0.489 128 M N 2.065 121.880 119.600 0.358 0.000 2.279 128 M HA 0.063 4.540 4.480 -0.004 0.000 0.264 128 M C -0.358 176.103 176.300 0.269 0.000 1.062 128 M CA 1.270 56.759 55.300 0.315 0.000 1.099 128 M CB -0.812 32.018 32.600 0.384 0.000 1.394 128 M HN 0.610 nan 8.290 nan 0.000 0.426 129 D N -0.366 120.190 120.400 0.261 0.000 2.542 129 D HA 0.268 4.906 4.640 -0.004 0.000 0.252 129 D C -0.491 175.945 176.300 0.227 0.000 1.222 129 D CA -0.221 53.914 54.000 0.225 0.000 0.895 129 D CB 1.622 42.532 40.800 0.184 0.000 1.207 129 D HN 0.097 nan 8.370 nan 0.000 0.558 139 V N 1.899 121.782 119.914 -0.051 0.000 2.513 139 V HA 0.617 4.734 4.120 -0.004 0.000 0.299 139 V C -0.591 175.470 176.094 -0.055 0.000 1.035 139 V CA -0.958 61.250 62.300 -0.154 0.000 0.889 139 V CB 1.572 33.274 31.823 -0.202 0.000 0.988 139 V HN 0.625 nan 8.190 nan 0.000 0.440 140 I N 4.687 125.211 120.570 -0.077 0.000 2.336 140 I HA 0.447 4.615 4.170 -0.004 0.000 0.292 140 I C -0.278 175.825 176.117 -0.023 0.000 0.991 140 I CA -0.434 60.847 61.300 -0.032 0.000 1.227 140 I CB 1.672 39.640 38.000 -0.054 0.000 1.366 140 I HN 0.233 nan 8.210 nan 0.000 0.466 141 V N 6.687 126.621 119.914 0.033 0.000 2.459 141 V HA 0.410 4.527 4.120 -0.004 0.000 0.295 141 V C -0.086 176.013 176.094 0.007 0.000 1.029 141 V CA -0.646 61.658 62.300 0.007 0.000 0.874 141 V CB 2.071 33.959 31.823 0.109 0.000 0.985 141 V HN 0.705 nan 8.190 nan 0.000 0.438 142 E N 3.489 123.632 120.200 -0.095 0.000 2.266 142 E HA 0.569 4.917 4.350 -0.004 0.000 0.268 142 E C -1.736 174.768 176.600 -0.160 0.000 0.879 142 E CA -0.607 55.765 56.400 -0.046 0.000 0.762 142 E CB 2.688 32.345 29.700 -0.072 0.000 1.199 142 E HN 0.464 nan 8.360 nan 0.000 0.422 143 F N 1.626 121.476 119.950 -0.166 0.000 2.436 143 F HA 0.315 4.839 4.527 -0.005 0.000 0.340 143 F C 0.235 175.947 175.800 -0.147 0.000 1.113 143 F CA -0.450 57.449 58.000 -0.167 0.000 1.022 143 F CB 1.608 40.398 39.000 -0.351 0.000 1.128 143 F HN 0.211 nan 8.300 nan 0.000 0.466 144 Q N 1.269 121.036 119.800 -0.056 0.000 2.375 144 Q HA 0.431 4.768 4.340 -0.004 0.000 0.271 144 Q C -0.178 175.510 176.000 -0.520 0.000 1.074 144 Q CA -1.112 54.559 55.803 -0.219 0.000 0.808 144 Q CB 2.401 31.008 28.738 -0.218 0.000 1.327 144 Q HN 0.766 nan 8.270 nan 0.000 0.441 145 T N -1.804 112.277 114.554 -0.788 0.000 2.726 145 T HA 0.150 4.497 4.350 -0.004 0.000 0.294 145 T C -1.850 172.346 174.700 -0.840 0.000 1.013 145 T CA -1.218 60.073 62.100 -1.349 0.000 0.996 145 T CB 0.285 68.614 68.868 -0.899 0.000 1.016 145 T HN 0.261 nan 8.240 nan 0.000 0.529 146 P HA 0.035 nan 4.420 nan 0.000 0.222 146 P C 0.881 178.034 177.300 -0.245 0.000 1.147 146 P CA 0.751 63.629 63.100 -0.370 0.000 0.790 146 P CB -0.007 31.559 31.700 -0.222 0.000 0.780 147 E N -1.411 118.637 120.200 -0.254 0.000 2.502 147 E HA 0.211 4.558 4.350 -0.004 0.000 0.194 147 E C 1.406 177.909 176.600 -0.161 0.000 1.062 147 E CA 0.612 56.912 56.400 -0.166 0.000 0.867 147 E CB -0.899 28.719 29.700 -0.136 0.000 0.888 147 E HN 0.131 nan 8.360 nan 0.000 0.510 148 G N 0.473 109.146 108.800 -0.211 0.000 2.132 148 G HA2 -0.225 3.732 3.960 -0.004 0.000 0.234 148 G HA3 -0.225 3.732 3.960 -0.004 0.000 0.234 148 G C 0.024 174.827 174.900 -0.162 0.000 0.989 148 G CA -0.114 44.882 45.100 -0.174 0.000 0.676 148 G HN 0.161 nan 8.290 nan 0.000 0.522 149 I N 0.838 121.292 120.570 -0.193 0.000 2.395 149 I HA 0.384 4.552 4.170 -0.004 0.000 0.289 149 I C 0.754 176.785 176.117 -0.143 0.000 1.023 149 I CA -1.255 59.958 61.300 -0.145 0.000 1.350 149 I CB 1.127 39.048 38.000 -0.132 0.000 1.409 149 I HN 0.122 nan 8.210 nan 0.000 0.507 150 L N 8.484 129.655 121.223 -0.088 0.000 2.369 150 L HA 0.144 4.482 4.340 -0.004 0.000 0.279 150 L C 0.761 177.622 176.870 -0.015 0.000 1.108 150 L CA 0.418 55.225 54.840 -0.055 0.000 0.852 150 L CB 0.775 42.811 42.059 -0.039 0.000 1.169 150 L HN 0.526 nan 8.230 nan 0.000 0.452 151 V N 0.937 120.865 119.914 0.023 0.000 3.556 151 V HA 0.479 4.596 4.120 -0.004 0.000 0.287 151 V C 0.460 176.631 176.094 0.128 0.000 1.422 151 V CA 0.421 62.774 62.300 0.088 0.000 1.038 151 V CB -0.062 31.855 31.823 0.157 0.000 0.850 151 V HN 0.738 nan 8.190 nan 0.000 0.437 152 S N -0.297 115.467 115.700 0.107 0.000 2.543 152 S HA 0.704 5.172 4.470 -0.004 0.000 0.271 152 S C -1.098 173.569 174.600 0.111 0.000 1.148 152 S CA 0.112 58.385 58.200 0.122 0.000 0.914 152 S CB 2.007 65.272 63.200 0.108 0.000 1.096 152 S HN 0.585 nan 8.310 nan 0.000 0.471 153 S N 3.401 119.149 115.700 0.080 0.000 2.706 153 S HA 0.616 5.084 4.470 -0.004 0.000 0.270 153 S C -1.664 172.961 174.600 0.041 0.000 1.163 153 S CA -0.612 57.619 58.200 0.053 0.000 1.042 153 S CB 0.212 63.423 63.200 0.018 0.000 1.079 153 S HN 0.801 nan 8.310 nan 0.000 0.474 154 N N 1.518 120.254 118.700 0.061 0.000 2.287 154 N HA 0.353 5.090 4.740 -0.004 0.000 0.289 154 N C -1.391 174.156 175.510 0.062 0.000 1.066 154 N CA -0.723 52.357 53.050 0.050 0.000 0.841 154 N CB 1.966 40.499 38.487 0.076 0.000 1.599 154 N HN 0.374 nan 8.380 nan 0.000 0.476 155 S N 1.135 116.854 115.700 0.032 0.000 2.510 155 S HA 0.277 4.745 4.470 -0.004 0.000 0.279 155 S C 0.092 174.740 174.600 0.080 0.000 1.284 155 S CA -0.671 57.552 58.200 0.039 0.000 1.059 155 S CB 0.126 63.336 63.200 0.016 0.000 0.901 155 S HN 0.370 nan 8.310 nan 0.000 0.491 156 V N 1.166 121.145 119.914 0.108 0.000 2.715 156 V HA 0.693 4.810 4.120 -0.004 0.000 0.310 156 V C -0.523 175.603 176.094 0.054 0.000 1.054 156 V CA -1.289 61.094 62.300 0.138 0.000 0.928 156 V CB 1.953 33.941 31.823 0.274 0.000 1.007 156 V HN 0.683 nan 8.190 nan 0.000 0.437 157 D N 2.554 122.954 120.400 -0.001 0.000 2.210 157 D HA 0.303 4.941 4.640 -0.004 0.000 0.249 157 D C 0.717 176.889 176.300 -0.212 0.000 1.078 157 D CA -0.366 53.609 54.000 -0.042 0.000 0.875 157 D CB 1.493 42.289 40.800 -0.008 0.000 1.175 157 D HN 0.609 nan 8.370 nan 0.000 0.440 158 L N 2.994 124.182 121.223 -0.058 0.000 2.749 158 L HA 0.025 4.363 4.340 -0.004 0.000 0.245 158 L C 0.923 177.730 176.870 -0.105 0.000 1.156 158 L CA 0.144 54.989 54.840 0.007 0.000 0.890 158 L CB -0.495 41.709 42.059 0.243 0.000 1.036 158 L HN 0.434 nan 8.230 nan 0.000 0.441 159 N N -0.564 117.988 118.700 -0.245 0.000 2.407 159 N HA 0.079 4.816 4.740 -0.004 0.000 0.182 159 N C -0.185 175.167 175.510 -0.263 0.000 1.079 159 N CA 0.313 53.271 53.050 -0.154 0.000 0.882 159 N CB 0.865 39.336 38.487 -0.026 0.000 1.106 159 N HN 0.116 nan 8.380 nan 0.000 0.461 160 F N 0.946 120.504 119.950 -0.654 0.000 2.562 160 F HA 0.469 4.993 4.527 -0.005 0.000 0.319 160 F C -1.566 173.827 175.800 -0.677 0.000 1.154 160 F CA -1.020 56.669 58.000 -0.520 0.000 0.931 160 F CB 0.810 39.649 39.000 -0.267 0.000 1.198 160 F HN -0.297 nan 8.300 nan 0.000 0.444 161 F N 3.851 123.409 119.950 -0.653 0.000 2.522 161 F HA 0.477 5.001 4.527 -0.005 0.000 0.324 161 F C -1.198 174.208 175.800 -0.656 0.000 1.077 161 F CA -0.923 56.784 58.000 -0.489 0.000 0.944 161 F CB 1.262 39.812 39.000 -0.750 0.000 1.175 161 F HN 0.336 nan 8.300 nan 0.000 0.468 162 W N 3.318 124.556 121.300 -0.102 0.000 2.314 162 W HA 0.517 5.176 4.660 -0.002 0.000 0.310 162 W C -2.247 174.312 176.519 0.067 0.000 1.075 162 W CA -2.061 55.277 57.345 -0.012 0.000 1.253 162 W CB 0.402 29.959 29.460 0.162 0.000 1.238 162 W HN 0.176 nan 8.180 nan 0.000 0.440 163 P HA -0.145 nan 4.420 nan 0.000 0.265 163 P C -1.055 176.347 177.300 0.169 0.000 1.187 163 P CA 0.139 63.308 63.100 0.114 0.000 0.766 163 P CB 0.378 32.072 31.700 -0.011 0.000 0.820 164 Y N 3.027 123.295 120.300 -0.052 0.000 2.367 164 Y HA 0.272 4.820 4.550 -0.004 0.000 0.342 164 Y C -0.109 175.615 175.900 -0.294 0.000 0.979 164 Y CA -0.681 57.211 58.100 -0.347 0.000 1.161 164 Y CB 0.122 37.927 38.460 -1.092 0.000 1.155 164 Y HN 0.301 nan 8.280 nan 0.000 0.503 165 N N 6.667 124.925 118.700 -0.737 0.000 2.406 165 N HA 0.280 5.018 4.740 -0.004 0.000 0.251 165 N C -1.164 173.938 175.510 -0.681 0.000 1.069 165 N CA -0.332 52.398 53.050 -0.532 0.000 0.947 165 N CB 0.775 39.071 38.487 -0.317 0.000 1.111 165 N HN 0.543 nan 8.380 nan 0.000 0.497 166 L N 3.812 124.774 121.223 -0.435 0.000 2.410 166 L HA 0.264 4.602 4.340 -0.004 0.000 0.273 166 L C -1.801 174.967 176.870 -0.169 0.000 1.152 166 L CA -1.691 52.973 54.840 -0.293 0.000 0.855 166 L CB 0.253 42.179 42.059 -0.221 0.000 1.129 166 L HN 0.301 nan 8.230 nan 0.000 0.463 167 P HA 0.040 nan 4.420 nan 0.000 0.272 167 P C -0.105 177.197 177.300 0.004 0.000 1.240 167 P CA -0.350 62.734 63.100 -0.026 0.000 0.791 167 P CB 0.798 32.521 31.700 0.038 0.000 0.978 168 D N -0.272 120.132 120.400 0.007 0.000 2.194 168 D HA 0.013 4.651 4.640 -0.004 0.000 0.204 168 D C 0.471 176.797 176.300 0.042 0.000 0.964 168 D CA 1.058 55.069 54.000 0.018 0.000 0.846 168 D CB 0.184 40.988 40.800 0.006 0.000 0.962 168 D HN 0.259 nan 8.370 nan 0.000 0.490 169 L N 1.628 122.882 121.223 0.051 0.000 2.270 169 L HA 0.309 4.647 4.340 -0.004 0.000 0.286 169 L C -0.376 176.559 176.870 0.109 0.000 1.059 169 L CA -0.359 54.523 54.840 0.070 0.000 0.839 169 L CB 1.823 43.916 42.059 0.056 0.000 1.221 169 L HN -0.276 nan 8.230 nan 0.000 0.431 170 V N 2.201 122.201 119.914 0.143 0.000 2.971 170 V HA 0.386 4.503 4.120 -0.004 0.000 0.309 170 V C -0.162 176.096 176.094 0.273 0.000 1.130 170 V CA -0.468 61.974 62.300 0.236 0.000 0.964 170 V CB 2.737 34.695 31.823 0.225 0.000 1.029 170 V HN 0.649 nan 8.190 nan 0.000 0.427 171 S N 5.971 121.886 115.700 0.358 0.000 2.516 171 S HA 0.428 4.896 4.470 -0.004 0.000 0.282 171 S C -0.298 174.536 174.600 0.390 0.000 1.286 171 S CA -0.310 58.052 58.200 0.270 0.000 1.066 171 S CB -0.348 62.921 63.200 0.115 0.000 0.884 171 S HN 0.554 nan 8.310 nan 0.000 0.491 172 L N 5.047 126.423 121.223 0.254 0.000 2.418 172 L HA 0.722 5.059 4.340 -0.004 0.000 0.265 172 L C 1.157 178.162 176.870 0.225 0.000 1.143 172 L CA 0.057 55.053 54.840 0.260 0.000 0.809 172 L CB 0.551 42.716 42.059 0.177 0.000 1.124 172 L HN 1.010 nan 8.230 nan 0.000 0.456 173 G N 0.903 109.853 108.800 0.250 0.000 2.331 173 G HA2 -0.116 3.842 3.960 -0.004 0.000 0.479 173 G HA3 -0.116 3.842 3.960 -0.004 0.000 0.479 173 G C -0.775 174.269 174.900 0.241 0.000 1.262 173 G CA -0.875 44.334 45.100 0.181 0.000 1.029 173 G HN 0.451 nan 8.290 nan 0.000 0.487 174 T N 1.410 116.039 114.554 0.124 0.000 2.723 174 T HA 0.487 4.835 4.350 -0.004 0.000 0.297 174 T C -0.309 174.379 174.700 -0.020 0.000 0.925 174 T CA 0.247 62.400 62.100 0.088 0.000 1.030 174 T CB 0.213 69.109 68.868 0.048 0.000 0.905 174 T HN 0.436 nan 8.240 nan 0.000 0.502 175 W N 2.726 123.742 121.300 -0.472 0.000 2.253 175 W HA 0.542 5.200 4.660 -0.004 0.000 0.348 175 W C 0.786 176.898 176.519 -0.678 0.000 1.229 175 W CA -1.001 55.931 57.345 -0.688 0.000 1.335 175 W CB 0.571 29.251 29.460 -1.299 0.000 1.165 175 W HN 0.355 nan 8.180 nan 0.000 0.631 176 R N 1.601 121.897 120.500 -0.339 0.000 2.621 176 R HA 0.599 4.937 4.340 -0.004 0.000 0.292 176 R C -1.013 175.026 176.300 -0.435 0.000 0.969 176 R CA -0.955 54.883 56.100 -0.436 0.000 0.887 176 R CB 1.778 31.830 30.300 -0.413 0.000 1.180 176 R HN 0.319 nan 8.270 nan 0.000 0.450 177 I N 2.579 122.840 120.570 -0.515 0.000 2.377 177 I HA 0.389 4.557 4.170 -0.004 0.000 0.293 177 I C -0.450 175.372 176.117 -0.492 0.000 0.987 177 I CA -1.124 59.767 61.300 -0.680 0.000 1.185 177 I CB 1.964 39.501 38.000 -0.772 0.000 1.341 177 I HN 0.181 nan 8.210 nan 0.000 0.455 178 V N 5.076 124.745 119.914 -0.408 0.000 2.487 178 V HA 0.674 4.792 4.120 -0.004 0.000 0.298 178 V C 0.078 176.055 176.094 -0.195 0.000 1.028 178 V CA -0.570 61.568 62.300 -0.271 0.000 0.860 178 V CB 1.586 33.277 31.823 -0.220 0.000 0.991 178 V HN 0.842 nan 8.190 nan 0.000 0.427 179 A N 5.490 128.239 122.820 -0.119 0.000 2.318 179 A HA 0.918 5.235 4.320 -0.004 0.000 0.324 179 A C -0.347 177.179 177.584 -0.096 0.000 1.170 179 A CA -0.648 51.334 52.037 -0.093 0.000 0.810 179 A CB 1.029 19.992 19.000 -0.061 0.000 1.198 179 A HN 0.941 nan 8.150 nan 0.000 0.484 180 K N 1.691 122.013 120.400 -0.130 0.000 2.546 180 K HA 0.536 4.854 4.320 -0.004 0.000 0.264 180 K C -1.777 174.716 176.600 -0.177 0.000 0.937 180 K CA -0.758 55.463 56.287 -0.109 0.000 0.833 180 K CB 0.978 33.454 32.500 -0.041 0.000 1.378 180 K HN 0.427 nan 8.250 nan 0.000 0.432 181 Y N 1.852 122.148 120.300 -0.006 0.000 2.411 181 Y HA 0.024 4.571 4.550 -0.005 0.000 0.333 181 Y C 0.694 176.569 175.900 -0.041 0.000 1.186 181 Y CA 0.008 58.107 58.100 -0.002 0.000 1.381 181 Y CB 0.806 39.288 38.460 0.037 0.000 1.273 181 Y HN 0.621 nan 8.280 nan 0.000 0.546 182 E N 2.682 122.903 120.200 0.034 0.000 2.392 182 E HA -0.001 4.347 4.350 -0.004 0.000 0.264 182 E C -0.481 175.967 176.600 -0.253 0.000 1.024 182 E CA -0.122 56.158 56.400 -0.200 0.000 0.903 182 E CB 0.207 29.689 29.700 -0.362 0.000 0.963 182 E HN 0.809 nan 8.360 nan 0.000 0.432 183 H N -0.852 118.142 119.070 -0.126 0.000 3.636 183 H HA -0.172 4.383 4.556 -0.002 0.000 0.179 183 H C -0.507 174.653 175.328 -0.281 0.000 0.968 183 H CA 1.076 56.929 56.048 -0.325 0.000 1.220 183 H CB -1.747 27.601 29.762 -0.690 0.000 1.023 183 H HN 0.531 nan 8.280 nan 0.000 0.366 184 S N 1.572 117.290 115.700 0.029 0.000 2.429 184 S HA 0.396 4.864 4.470 -0.004 0.000 0.302 184 S C -1.523 173.117 174.600 0.068 0.000 1.115 184 S CA -1.191 57.077 58.200 0.114 0.000 1.095 184 S CB 1.604 64.930 63.200 0.209 0.000 0.987 184 S HN -0.052 nan 8.310 nan 0.000 0.474 185 P HA 0.116 nan 4.420 nan 0.000 0.229 185 P C -0.158 177.172 177.300 0.051 0.000 1.160 185 P CA 0.453 63.581 63.100 0.047 0.000 0.777 185 P CB 0.189 31.921 31.700 0.052 0.000 0.814 186 E N 0.508 120.754 120.200 0.076 0.000 2.342 186 E HA 0.386 4.734 4.350 -0.004 0.000 0.257 186 E C 0.282 176.918 176.600 0.059 0.000 1.150 186 E CA 0.008 56.452 56.400 0.074 0.000 0.926 186 E CB 0.242 30.000 29.700 0.097 0.000 1.074 186 E HN 0.214 nan 8.360 nan 0.000 0.449 187 N N -0.822 117.906 118.700 0.046 0.000 3.348 187 N HA 0.161 4.898 4.740 -0.004 0.000 0.233 187 N C -2.033 173.502 175.510 0.042 0.000 1.440 187 N CA -0.846 52.218 53.050 0.024 0.000 0.887 187 N CB 0.233 38.703 38.487 -0.028 0.000 1.410 187 N HN 0.393 nan 8.380 nan 0.000 0.502 188 Y N 0.047 120.281 120.300 -0.111 0.000 2.352 188 Y HA 0.654 5.201 4.550 -0.005 0.000 0.339 188 Y C -0.950 174.853 175.900 -0.161 0.000 0.992 188 Y CA -0.161 57.863 58.100 -0.127 0.000 1.100 188 Y CB 1.854 40.205 38.460 -0.182 0.000 1.192 188 Y HN 0.639 nan 8.280 nan 0.000 0.458 189 T N 5.836 119.952 114.554 -0.730 0.000 2.779 189 T HA 0.789 5.137 4.350 -0.004 0.000 0.280 189 T C -0.705 173.465 174.700 -0.883 0.000 0.987 189 T CA -0.510 61.180 62.100 -0.683 0.000 0.966 189 T CB 0.970 69.475 68.868 -0.605 0.000 0.933 189 T HN 0.777 nan 8.240 nan 0.000 0.442 190 A N 3.000 125.436 122.820 -0.639 0.000 2.350 190 A HA 0.905 5.223 4.320 -0.004 0.000 0.318 190 A C -1.634 175.524 177.584 -0.709 0.000 1.132 190 A CA -0.735 51.029 52.037 -0.455 0.000 0.811 190 A CB 0.981 19.966 19.000 -0.024 0.000 1.313 190 A HN 0.796 nan 8.150 nan 0.000 0.454 191 Y N -0.704 119.423 120.300 -0.289 0.000 2.536 191 Y HA 0.667 5.215 4.550 -0.004 0.000 0.347 191 Y C -0.430 175.255 175.900 -0.357 0.000 1.000 191 Y CA -0.632 57.134 58.100 -0.556 0.000 1.051 191 Y CB 2.053 39.842 38.460 -1.118 0.000 1.259 191 Y HN 0.720 nan 8.280 nan 0.000 0.468 192 F N -1.240 118.666 119.950 -0.073 0.000 2.619 192 F HA 0.644 5.168 4.527 -0.004 0.000 0.308 192 F C -1.466 174.518 175.800 0.307 0.000 1.097 192 F CA -1.263 56.857 58.000 0.200 0.000 0.953 192 F CB 1.272 40.483 39.000 0.352 0.000 1.287 192 F HN 0.214 nan 8.300 nan 0.000 0.446 193 D N 1.962 122.694 120.400 0.552 0.000 2.210 193 D HA 0.517 5.154 4.640 -0.004 0.000 0.249 193 D C -0.755 175.834 176.300 0.480 0.000 1.062 193 D CA -0.177 54.071 54.000 0.414 0.000 0.891 193 D CB 2.365 43.361 40.800 0.328 0.000 1.186 193 D HN 0.460 nan 8.370 nan 0.000 0.432 194 V N 4.198 124.347 119.914 0.393 0.000 2.378 194 V HA 0.512 4.629 4.120 -0.004 0.000 0.288 194 V C 0.124 176.406 176.094 0.314 0.000 1.016 194 V CA -0.597 61.918 62.300 0.359 0.000 0.840 194 V CB 1.104 33.068 31.823 0.234 0.000 0.994 194 V HN 0.373 nan 8.190 nan 0.000 0.431 195 R N 3.196 123.900 120.500 0.340 0.000 2.739 195 R HA 0.481 4.818 4.340 -0.004 0.000 0.271 195 R C -1.021 175.463 176.300 0.307 0.000 1.010 195 R CA -0.957 55.325 56.100 0.302 0.000 0.897 195 R CB 2.276 32.748 30.300 0.287 0.000 1.236 195 R HN 0.537 nan 8.270 nan 0.000 0.466 196 K N 2.304 122.825 120.400 0.201 0.000 2.183 196 K HA 0.208 4.526 4.320 -0.004 0.000 0.272 196 K C -0.671 176.017 176.600 0.146 0.000 1.113 196 K CA -0.109 56.246 56.287 0.113 0.000 0.949 196 K CB 0.064 32.609 32.500 0.074 0.000 1.365 196 K HN 0.466 nan 8.250 nan 0.000 0.420 197 Y N -0.995 119.326 120.300 0.036 0.000 2.605 197 Y HA 0.663 5.210 4.550 -0.004 0.000 0.343 197 Y C -0.624 175.283 175.900 0.011 0.000 1.036 197 Y CA -1.592 56.520 58.100 0.020 0.000 1.065 197 Y CB 0.998 39.468 38.460 0.016 0.000 1.288 197 Y HN 0.059 nan 8.280 nan 0.000 0.481 198 V N 0.624 120.622 119.914 0.141 0.000 2.864 198 V HA 0.598 4.716 4.120 -0.004 0.000 0.314 198 V C -0.701 175.520 176.094 0.211 0.000 1.073 198 V CA -1.428 60.908 62.300 0.060 0.000 0.956 198 V CB 1.675 33.512 31.823 0.024 0.000 1.023 198 V HN 0.957 nan 8.190 nan 0.000 0.435 199 L N 4.188 125.506 121.223 0.159 0.000 2.410 199 L HA 0.384 4.722 4.340 -0.004 0.000 0.273 199 L C -1.856 175.051 176.870 0.063 0.000 1.152 199 L CA -1.238 53.678 54.840 0.128 0.000 0.855 199 L CB 0.439 42.549 42.059 0.085 0.000 1.129 199 L HN 0.563 nan 8.230 nan 0.000 0.463 200 P HA 0.091 nan 4.420 nan 0.000 0.274 200 P C 0.233 177.546 177.300 0.022 0.000 1.246 200 P CA -0.530 62.543 63.100 -0.046 0.000 0.795 200 P CB 0.694 32.242 31.700 -0.253 0.000 1.006 201 S N -0.696 115.089 115.700 0.142 0.000 2.548 201 S HA 0.223 4.691 4.470 -0.004 0.000 0.215 201 S C 0.323 175.149 174.600 0.377 0.000 0.976 201 S CA -0.204 58.173 58.200 0.295 0.000 0.908 201 S CB -0.955 62.501 63.200 0.427 0.000 0.781 201 S HN 0.534 nan 8.310 nan 0.000 0.519 202 F N -0.110 119.862 119.950 0.037 0.000 2.662 202 F HA 0.797 5.321 4.527 -0.004 0.000 0.312 202 F C -0.914 174.837 175.800 -0.082 0.000 1.113 202 F CA -1.257 56.690 58.000 -0.088 0.000 0.951 202 F CB 1.097 39.897 39.000 -0.333 0.000 1.344 202 F HN 0.049 nan 8.300 nan 0.000 0.462 203 E N 1.543 121.742 120.200 -0.001 0.000 2.207 203 E HA 0.670 5.018 4.350 -0.004 0.000 0.270 203 E C -2.020 174.599 176.600 0.031 0.000 0.927 203 E CA -0.973 55.385 56.400 -0.069 0.000 0.799 203 E CB 2.413 32.101 29.700 -0.021 0.000 1.172 203 E HN 0.656 nan 8.360 nan 0.000 0.404 204 V N 4.119 124.018 119.914 -0.023 0.000 2.409 204 V HA 0.428 4.545 4.120 -0.004 0.000 0.291 204 V C -0.345 175.748 176.094 -0.002 0.000 1.020 204 V CA -0.649 61.666 62.300 0.025 0.000 0.848 204 V CB 1.365 33.204 31.823 0.027 0.000 0.990 204 V HN 0.668 nan 8.190 nan 0.000 0.430 205 R N 4.997 125.499 120.500 0.003 0.000 2.460 205 R HA 0.762 5.099 4.340 -0.004 0.000 0.303 205 R C -1.231 175.066 176.300 -0.005 0.000 0.968 205 R CA -0.595 55.502 56.100 -0.005 0.000 0.889 205 R CB 1.833 32.130 30.300 -0.005 0.000 1.123 205 R HN 0.560 nan 8.270 nan 0.000 0.455 206 L N 2.388 123.608 121.223 -0.005 0.000 2.346 206 L HA 0.448 4.786 4.340 -0.004 0.000 0.276 206 L C -0.566 176.304 176.870 0.000 0.000 1.006 206 L CA -0.884 53.955 54.840 -0.001 0.000 0.817 206 L CB 1.998 44.060 42.059 0.004 0.000 1.272 206 L HN 0.485 nan 8.230 nan 0.000 0.421 207 Q N 5.261 125.056 119.800 -0.008 0.000 2.303 207 Q HA 0.443 4.781 4.340 -0.004 0.000 0.267 207 Q C -2.635 173.338 176.000 -0.045 0.000 1.011 207 Q CA -1.527 54.265 55.803 -0.019 0.000 0.740 207 Q CB 2.411 31.132 28.738 -0.029 0.000 1.250 207 Q HN 0.207 nan 8.270 nan 0.000 0.458 208 P HA 0.053 nan 4.420 nan 0.000 0.274 208 P C 0.043 177.184 177.300 -0.266 0.000 1.231 208 P CA -0.121 62.897 63.100 -0.136 0.000 0.790 208 P CB 1.551 33.325 31.700 0.123 0.000 0.951 209 S N 0.355 115.733 115.700 -0.537 0.000 2.383 209 S HA -0.060 4.408 4.470 -0.004 0.000 0.227 209 S C 0.642 175.077 174.600 -0.275 0.000 1.026 209 S CA 0.889 58.881 58.200 -0.347 0.000 0.981 209 S CB -0.320 62.701 63.200 -0.299 0.000 0.818 209 S HN 0.498 nan 8.310 nan 0.000 0.472 210 E N -0.145 119.873 120.200 -0.303 0.000 2.393 210 E HA 0.425 4.772 4.350 -0.004 0.000 0.273 210 E C -0.620 175.912 176.600 -0.115 0.000 0.918 210 E CA -0.631 55.588 56.400 -0.300 0.000 0.773 210 E CB 1.727 31.038 29.700 -0.649 0.000 1.275 210 E HN -0.037 nan 8.360 nan 0.000 0.451 211 K N 0.301 120.629 120.400 -0.121 0.000 2.525 211 K HA 0.097 4.414 4.320 -0.004 0.000 0.192 211 K C -0.109 176.621 176.600 0.216 0.000 1.029 211 K CA 0.549 56.904 56.287 0.113 0.000 1.029 211 K CB -0.055 32.560 32.500 0.192 0.000 0.814 211 K HN 0.317 nan 8.250 nan 0.000 0.503 212 F N -3.841 116.142 119.950 0.055 0.000 2.715 212 F HA 0.557 5.081 4.527 -0.004 0.000 0.318 212 F C -1.172 174.643 175.800 0.024 0.000 1.141 212 F CA -1.826 56.164 58.000 -0.016 0.000 0.950 212 F CB 0.868 39.775 39.000 -0.155 0.000 1.374 212 F HN -0.282 nan 8.300 nan 0.000 0.477 213 F N 1.722 121.618 119.950 -0.089 0.000 2.562 213 F HA 0.539 5.063 4.527 -0.004 0.000 0.319 213 F C -1.493 174.237 175.800 -0.118 0.000 1.154 213 F CA -1.692 56.174 58.000 -0.223 0.000 0.931 213 F CB 1.021 39.771 39.000 -0.416 0.000 1.198 213 F HN 0.435 nan 8.300 nan 0.000 0.444 214 Y N 6.826 126.949 120.300 -0.294 0.000 2.569 214 Y HA 0.069 4.617 4.550 -0.004 0.000 0.332 214 Y C 1.665 177.315 175.900 -0.417 0.000 1.120 214 Y CA 0.462 58.411 58.100 -0.252 0.000 1.416 214 Y CB 0.464 38.807 38.460 -0.194 0.000 1.210 214 Y HN 0.718 nan 8.280 nan 0.000 0.528 215 I N 2.042 122.606 120.570 -0.010 0.000 2.264 215 I HA -0.287 3.881 4.170 -0.004 0.000 0.248 215 I C 0.816 176.938 176.117 0.007 0.000 1.111 215 I CA 1.862 63.166 61.300 0.007 0.000 1.382 215 I CB 0.156 38.195 38.000 0.065 0.000 1.060 215 I HN 0.742 nan 8.210 nan 0.000 0.418 216 D N -0.470 119.924 120.400 -0.009 0.000 2.788 216 D HA 0.227 4.864 4.640 -0.004 0.000 0.289 216 D C 0.383 176.637 176.300 -0.077 0.000 1.340 216 D CA -0.269 53.718 54.000 -0.022 0.000 0.831 216 D CB -0.350 40.441 40.800 -0.014 0.000 1.103 216 D HN 0.198 nan 8.370 nan 0.000 0.476 217 G N -0.232 108.494 108.800 -0.124 0.000 2.557 217 G HA2 0.193 4.151 3.960 -0.004 0.000 0.292 217 G HA3 0.193 4.151 3.960 -0.004 0.000 0.292 217 G C 0.672 175.499 174.900 -0.122 0.000 1.237 217 G CA -0.678 44.338 45.100 -0.140 0.000 0.978 217 G HN 0.102 nan 8.290 nan 0.000 0.498 218 N N -0.447 118.201 118.700 -0.087 0.000 2.250 218 N HA 0.014 4.751 4.740 -0.004 0.000 0.190 218 N C 0.532 176.027 175.510 -0.025 0.000 1.116 218 N CA -0.028 52.995 53.050 -0.045 0.000 0.881 218 N CB 0.691 39.159 38.487 -0.032 0.000 1.006 218 N HN 0.743 nan 8.380 nan 0.000 0.491 219 E N 1.733 121.916 120.200 -0.028 0.000 2.390 219 E HA 0.081 4.429 4.350 -0.004 0.000 0.261 219 E C -0.337 176.296 176.600 0.055 0.000 1.076 219 E CA -0.091 56.321 56.400 0.021 0.000 0.905 219 E CB 0.887 30.620 29.700 0.056 0.000 0.984 219 E HN -0.050 nan 8.360 nan 0.000 0.427 220 N N 1.166 119.881 118.700 0.024 0.000 2.408 220 N HA 0.294 5.032 4.740 -0.004 0.000 0.260 220 N C -0.900 174.544 175.510 -0.110 0.000 1.242 220 N CA -0.221 52.798 53.050 -0.053 0.000 0.959 220 N CB 0.333 38.706 38.487 -0.190 0.000 1.201 220 N HN 0.458 nan 8.380 nan 0.000 0.511 221 F N 0.397 120.061 119.950 -0.476 0.000 2.532 221 F HA 0.362 4.887 4.527 -0.004 0.000 0.321 221 F C -0.342 175.060 175.800 -0.664 0.000 1.089 221 F CA -0.575 57.112 58.000 -0.522 0.000 0.926 221 F CB 1.051 39.667 39.000 -0.640 0.000 1.168 221 F HN 0.338 nan 8.300 nan 0.000 0.459 222 H N 4.110 122.755 119.070 -0.708 0.000 2.747 222 H HA 0.642 5.196 4.556 -0.004 0.000 0.371 222 H C -1.279 173.801 175.328 -0.413 0.000 1.161 222 H CA -0.933 54.899 56.048 -0.359 0.000 1.167 222 H CB 2.136 31.745 29.762 -0.255 0.000 1.732 222 H HN 0.360 nan 8.280 nan 0.000 0.544 223 V N 1.996 121.944 119.914 0.057 0.000 2.444 223 V HA 0.154 4.272 4.120 -0.004 0.000 0.294 223 V C 0.159 176.260 176.094 0.012 0.000 1.022 223 V CA -0.652 61.661 62.300 0.021 0.000 0.850 223 V CB 1.600 33.482 31.823 0.099 0.000 0.992 223 V HN 0.724 nan 8.190 nan 0.000 0.426 224 S N 5.820 121.502 115.700 -0.029 0.000 2.523 224 S HA 0.611 5.078 4.470 -0.004 0.000 0.275 224 S C -0.186 174.401 174.600 -0.022 0.000 1.281 224 S CA -0.234 57.947 58.200 -0.033 0.000 1.050 224 S CB 0.505 63.674 63.200 -0.052 0.000 0.937 224 S HN 0.520 nan 8.310 nan 0.000 0.492 225 I N 2.871 123.428 120.570 -0.022 0.000 2.354 225 I HA 0.305 4.472 4.170 -0.004 0.000 0.292 225 I C 0.005 176.107 176.117 -0.025 0.000 0.989 225 I CA -0.281 61.008 61.300 -0.018 0.000 1.188 225 I CB 1.719 39.709 38.000 -0.017 0.000 1.342 225 I HN 0.408 nan 8.210 nan 0.000 0.457 226 T N 5.436 119.979 114.554 -0.018 0.000 2.786 226 T HA 0.670 5.018 4.350 -0.004 0.000 0.283 226 T C -0.368 174.324 174.700 -0.014 0.000 0.992 226 T CA -0.572 61.514 62.100 -0.024 0.000 0.954 226 T CB 1.449 70.305 68.868 -0.020 0.000 0.934 226 T HN 0.654 nan 8.240 nan 0.000 0.440 227 A N 4.288 127.084 122.820 -0.040 0.000 2.311 227 A HA 0.790 5.108 4.320 -0.004 0.000 0.306 227 A C -0.156 177.351 177.584 -0.128 0.000 1.189 227 A CA -0.792 51.226 52.037 -0.032 0.000 0.791 227 A CB 0.871 19.818 19.000 -0.088 0.000 1.172 227 A HN 0.751 nan 8.150 nan 0.000 0.481 228 R N 1.414 121.869 120.500 -0.076 0.000 2.628 228 R HA 0.428 4.766 4.340 -0.004 0.000 0.288 228 R C -1.433 174.781 176.300 -0.143 0.000 0.980 228 R CA -0.617 55.401 56.100 -0.136 0.000 0.891 228 R CB 1.693 31.960 30.300 -0.054 0.000 1.188 228 R HN 0.736 nan 8.270 nan 0.000 0.450 229 Y N 1.792 121.982 120.300 -0.183 0.000 2.457 229 Y HA -0.046 4.502 4.550 -0.004 0.000 0.341 229 Y C 1.749 177.431 175.900 -0.363 0.000 1.240 229 Y CA 0.262 58.158 58.100 -0.340 0.000 1.437 229 Y CB 0.527 38.419 38.460 -0.948 0.000 1.328 229 Y HN 0.532 nan 8.280 nan 0.000 0.588 230 L N 1.435 122.625 121.223 -0.056 0.000 2.275 230 L HA -0.237 4.101 4.340 -0.004 0.000 0.215 230 L C 1.553 178.433 176.870 0.018 0.000 1.119 230 L CA 0.983 55.821 54.840 -0.003 0.000 0.790 230 L CB -0.556 41.538 42.059 0.058 0.000 0.919 230 L HN 0.811 nan 8.230 nan 0.000 0.443 231 Y N -1.967 118.413 120.300 0.133 0.000 2.529 231 Y HA 0.421 4.969 4.550 -0.004 0.000 0.290 231 Y C 1.554 177.506 175.900 0.086 0.000 1.177 231 Y CA 0.100 58.249 58.100 0.083 0.000 1.305 231 Y CB -0.470 38.017 38.460 0.045 0.000 1.047 231 Y HN 0.027 nan 8.280 nan 0.000 0.522 232 G N -1.020 107.745 108.800 -0.059 0.000 2.229 232 G HA2 -0.183 3.775 3.960 -0.004 0.000 0.189 232 G HA3 -0.183 3.775 3.960 -0.004 0.000 0.189 232 G C -0.070 174.851 174.900 0.035 0.000 1.000 232 G CA -0.208 44.909 45.100 0.028 0.000 0.663 232 G HN 0.275 nan 8.290 nan 0.000 0.493 233 E N 0.858 121.074 120.200 0.027 0.000 2.250 233 E HA 0.482 4.830 4.350 -0.004 0.000 0.265 233 E C 0.037 176.719 176.600 0.136 0.000 1.033 233 E CA -0.539 55.946 56.400 0.142 0.000 0.888 233 E CB 1.086 30.964 29.700 0.298 0.000 1.151 233 E HN 0.507 nan 8.360 nan 0.000 0.412 234 E N 0.306 120.569 120.200 0.106 0.000 2.354 234 E HA 0.200 4.548 4.350 -0.004 0.000 0.269 234 E C -0.615 175.965 176.600 -0.033 0.000 1.036 234 E CA -0.299 56.105 56.400 0.007 0.000 0.876 234 E CB 1.133 30.833 29.700 -0.001 0.000 1.009 234 E HN 0.069 nan 8.360 nan 0.000 0.416 235 V N 2.740 122.490 119.914 -0.274 0.000 2.481 235 V HA 0.153 4.271 4.120 -0.004 0.000 0.286 235 V C 0.032 175.979 176.094 -0.244 0.000 1.042 235 V CA -0.353 61.672 62.300 -0.459 0.000 0.928 235 V CB 1.357 32.653 31.823 -0.878 0.000 0.986 235 V HN 0.667 nan 8.190 nan 0.000 0.462 236 E N 2.757 122.860 120.200 -0.162 0.000 2.166 236 E HA 0.695 5.042 4.350 -0.004 0.000 0.275 236 E C 0.139 176.655 176.600 -0.139 0.000 0.941 236 E CA 0.150 56.482 56.400 -0.114 0.000 0.784 236 E CB 1.687 31.360 29.700 -0.044 0.000 1.115 236 E HN 0.872 nan 8.360 nan 0.000 0.399 237 G N 1.753 110.477 108.800 -0.126 0.000 2.498 237 G HA2 0.309 4.266 3.960 -0.004 0.000 0.181 237 G HA3 0.309 4.266 3.960 -0.004 0.000 0.181 237 G C -1.457 173.381 174.900 -0.103 0.000 1.169 237 G CA -0.115 44.919 45.100 -0.110 0.000 0.992 237 G HN 0.516 nan 8.290 nan 0.000 0.490 238 V N 0.080 119.933 119.914 -0.101 0.000 2.971 238 V HA 0.842 4.960 4.120 -0.004 0.000 0.309 238 V C -0.211 175.780 176.094 -0.173 0.000 1.130 238 V CA -0.091 62.109 62.300 -0.168 0.000 0.964 238 V CB 1.652 33.360 31.823 -0.193 0.000 1.029 238 V HN 1.831 nan 8.190 nan 0.000 0.427 239 A N 2.907 125.561 122.820 -0.276 0.000 2.386 239 A HA 0.939 5.257 4.320 -0.004 0.000 0.311 239 A C -1.506 175.856 177.584 -0.370 0.000 1.068 239 A CA -0.361 51.566 52.037 -0.184 0.000 0.743 239 A CB 1.149 20.100 19.000 -0.082 0.000 1.258 239 A HN 0.609 nan 8.150 nan 0.000 0.429 240 F N 1.688 121.642 119.950 0.006 0.000 2.427 240 F HA 0.529 5.053 4.527 -0.004 0.000 0.348 240 F C -0.043 175.745 175.800 -0.021 0.000 1.125 240 F CA -0.550 57.453 58.000 0.004 0.000 0.989 240 F CB 2.220 41.225 39.000 0.010 0.000 1.165 240 F HN 0.272 nan 8.300 nan 0.000 0.442 241 V N 5.121 125.095 119.914 0.100 0.000 2.448 241 V HA 0.510 4.628 4.120 -0.004 0.000 0.295 241 V C -0.940 175.126 176.094 -0.046 0.000 1.025 241 V CA -0.738 61.536 62.300 -0.044 0.000 0.859 241 V CB 1.931 33.685 31.823 -0.114 0.000 0.988 241 V HN 0.522 nan 8.190 nan 0.000 0.431 242 L N 5.654 126.798 121.223 -0.132 0.000 2.376 242 L HA 0.705 5.042 4.340 -0.004 0.000 0.275 242 L C -1.015 175.730 176.870 -0.207 0.000 0.987 242 L CA 0.078 54.892 54.840 -0.043 0.000 0.828 242 L CB 1.355 43.443 42.059 0.048 0.000 1.249 242 L HN 0.446 nan 8.230 nan 0.000 0.409 243 F N 2.982 122.891 119.950 -0.069 0.000 2.403 243 F HA 0.880 5.405 4.527 -0.004 0.000 0.326 243 F C 1.117 176.682 175.800 -0.390 0.000 1.081 243 F CA 0.354 58.207 58.000 -0.245 0.000 1.041 243 F CB 1.904 40.797 39.000 -0.177 0.000 1.234 243 F HN 0.619 nan 8.300 nan 0.000 0.503 244 G N -0.185 108.208 108.800 -0.679 0.000 2.550 244 G HA2 0.540 4.498 3.960 -0.004 0.000 0.293 244 G HA3 0.540 4.498 3.960 -0.004 0.000 0.293 244 G C -2.392 172.173 174.900 -0.560 0.000 1.402 244 G CA -0.688 44.061 45.100 -0.583 0.000 0.784 244 G HN 0.475 nan 8.290 nan 0.000 0.482 245 V N 0.608 120.473 119.914 -0.082 0.000 2.487 245 V HA 0.514 4.631 4.120 -0.004 0.000 0.298 245 V C 0.001 176.182 176.094 0.145 0.000 1.028 245 V CA -0.836 61.421 62.300 -0.071 0.000 0.860 245 V CB 1.615 33.157 31.823 -0.468 0.000 0.991 245 V HN 0.802 nan 8.190 nan 0.000 0.427 246 K N 5.930 126.445 120.400 0.191 0.000 2.267 246 K HA 0.501 4.819 4.320 -0.004 0.000 0.282 246 K C -0.799 175.776 176.600 -0.040 0.000 1.078 246 K CA -0.292 56.055 56.287 0.099 0.000 0.903 246 K CB 0.458 32.999 32.500 0.067 0.000 1.111 246 K HN 0.661 nan 8.250 nan 0.000 0.475 247 I N 6.227 126.710 120.570 -0.144 0.000 2.347 247 I HA 0.074 4.242 4.170 -0.004 0.000 0.283 247 I C -0.207 175.851 176.117 -0.098 0.000 1.058 247 I CA -0.490 60.592 61.300 -0.364 0.000 1.202 247 I CB 0.501 38.215 38.000 -0.477 0.000 1.386 247 I HN 0.925 nan 8.210 nan 0.000 0.475 248 D N 3.174 123.606 120.400 0.053 0.000 4.454 248 D HA -0.278 4.359 4.640 -0.004 0.000 0.140 248 D C 0.794 177.099 176.300 0.007 0.000 0.720 248 D CA 1.597 55.631 54.000 0.057 0.000 1.158 248 D CB -0.354 40.475 40.800 0.048 0.000 0.598 248 D HN 0.463 nan 8.370 nan 0.000 0.553 249 D N 1.205 121.600 120.400 -0.009 0.000 2.259 249 D HA 0.267 4.905 4.640 -0.004 0.000 0.216 249 D C 0.768 177.042 176.300 -0.044 0.000 0.961 249 D CA 1.021 55.004 54.000 -0.029 0.000 0.878 249 D CB -0.034 40.751 40.800 -0.024 0.000 1.009 249 D HN 0.415 nan 8.370 nan 0.000 0.490 250 A N 1.250 124.050 122.820 -0.034 0.000 2.425 250 A HA 0.201 4.519 4.320 -0.004 0.000 0.249 250 A C 0.164 177.734 177.584 -0.023 0.000 1.084 250 A CA 0.142 52.162 52.037 -0.029 0.000 0.781 250 A CB 0.340 19.331 19.000 -0.015 0.000 1.019 250 A HN -0.058 nan 8.150 nan 0.000 0.490 251 K N 1.907 122.299 120.400 -0.013 0.000 2.235 251 K HA 0.309 4.627 4.320 -0.004 0.000 0.266 251 K C -0.685 176.010 176.600 0.160 0.000 0.980 251 K CA -0.410 55.915 56.287 0.063 0.000 0.849 251 K CB 1.896 34.331 32.500 -0.108 0.000 1.098 251 K HN 0.626 nan 8.250 nan 0.000 0.445 252 K N 2.600 123.145 120.400 0.241 0.000 2.334 252 K HA 0.110 4.428 4.320 -0.004 0.000 0.265 252 K C -0.130 176.656 176.600 0.309 0.000 1.039 252 K CA -0.276 56.159 56.287 0.247 0.000 0.920 252 K CB 0.903 33.584 32.500 0.300 0.000 1.160 252 K HN 0.732 nan 8.250 nan 0.000 0.451 253 S N 3.406 119.243 115.700 0.228 0.000 2.614 253 S HA 0.311 4.779 4.470 -0.004 0.000 0.265 253 S C 0.326 174.991 174.600 0.109 0.000 1.303 253 S CA -0.606 57.700 58.200 0.178 0.000 1.000 253 S CB 0.564 63.858 63.200 0.156 0.000 0.935 253 S HN 0.513 nan 8.310 nan 0.000 0.551 254 I N 2.546 123.172 120.570 0.095 0.000 2.442 254 I HA 0.292 4.460 4.170 -0.004 0.000 0.279 254 I C -1.898 174.252 176.117 0.055 0.000 1.081 254 I CA -2.240 59.092 61.300 0.054 0.000 1.197 254 I CB 1.514 39.585 38.000 0.117 0.000 1.394 254 I HN 0.514 nan 8.210 nan 0.000 0.488 255 P HA -0.133 nan 4.420 nan 0.000 0.218 255 P C 0.739 178.065 177.300 0.043 0.000 1.148 255 P CA 1.234 64.354 63.100 0.033 0.000 0.822 255 P CB 0.216 31.921 31.700 0.008 0.000 0.784 256 D N -1.358 119.059 120.400 0.028 0.000 2.371 256 D HA -0.061 4.577 4.640 -0.004 0.000 0.221 256 D C 1.744 178.083 176.300 0.065 0.000 0.986 256 D CA 0.842 54.863 54.000 0.035 0.000 0.899 256 D CB -0.453 40.354 40.800 0.012 0.000 0.902 256 D HN 0.237 nan 8.370 nan 0.000 0.530 257 S N -0.252 115.506 115.700 0.097 0.000 2.528 257 S HA -0.004 4.463 4.470 -0.004 0.000 0.219 257 S C 0.861 175.585 174.600 0.207 0.000 0.985 257 S CA -0.498 57.798 58.200 0.159 0.000 0.914 257 S CB -0.154 63.184 63.200 0.231 0.000 0.776 257 S HN 0.108 nan 8.310 nan 0.000 0.526 258 L N 3.208 124.522 121.223 0.152 0.000 2.584 258 L HA 0.400 4.738 4.340 -0.004 0.000 0.272 258 L C -0.026 176.938 176.870 0.156 0.000 1.195 258 L CA 1.064 55.993 54.840 0.150 0.000 0.920 258 L CB 0.199 42.329 42.059 0.119 0.000 1.173 258 L HN 0.293 nan 8.230 nan 0.000 0.489 259 T N 6.083 120.737 114.554 0.166 0.000 2.909 259 T HA 0.491 4.838 4.350 -0.004 0.000 0.299 259 T C -0.866 173.877 174.700 0.072 0.000 1.073 259 T CA -0.857 61.319 62.100 0.126 0.000 0.999 259 T CB 0.895 69.843 68.868 0.133 0.000 1.098 259 T HN 0.790 nan 8.240 nan 0.000 0.477 260 R N 4.584 125.077 120.500 -0.013 0.000 2.343 260 R HA 0.723 5.061 4.340 -0.004 0.000 0.320 260 R C -0.644 175.530 176.300 -0.211 0.000 0.956 260 R CA -0.703 55.242 56.100 -0.260 0.000 0.836 260 R CB 0.502 30.646 30.300 -0.261 0.000 1.151 260 R HN 0.755 nan 8.270 nan 0.000 0.450 261 I N 1.050 121.465 120.570 -0.257 0.000 2.769 261 I HA 0.624 4.791 4.170 -0.004 0.000 0.298 261 I C -2.771 173.244 176.117 -0.169 0.000 1.128 261 I CA -3.278 57.931 61.300 -0.153 0.000 1.031 261 I CB 2.590 40.541 38.000 -0.082 0.000 1.235 261 I HN 0.416 nan 8.210 nan 0.000 0.423 262 P HA 0.275 nan 4.420 nan 0.000 0.271 262 P C -0.844 176.399 177.300 -0.095 0.000 1.216 262 P CA -0.105 62.932 63.100 -0.105 0.000 0.776 262 P CB 0.604 32.260 31.700 -0.074 0.000 0.881 263 I N 4.787 125.297 120.570 -0.100 0.000 2.337 263 I HA 0.283 4.450 4.170 -0.004 0.000 0.285 263 I C -0.133 175.931 176.117 -0.088 0.000 1.041 263 I CA -0.461 60.782 61.300 -0.096 0.000 1.199 263 I CB 0.252 38.182 38.000 -0.117 0.000 1.370 263 I HN 0.178 nan 8.210 nan 0.000 0.470 264 I N 5.428 125.956 120.570 -0.070 0.000 2.378 264 I HA 0.282 4.449 4.170 -0.004 0.000 0.291 264 I C 0.392 176.478 176.117 -0.051 0.000 0.992 264 I CA -0.266 61.001 61.300 -0.056 0.000 1.154 264 I CB 1.284 39.257 38.000 -0.044 0.000 1.315 264 I HN 0.446 nan 8.210 nan 0.000 0.448 265 D N 5.144 125.517 120.400 -0.044 0.000 2.837 265 D HA -0.183 4.455 4.640 -0.004 0.000 0.230 265 D C 1.277 177.548 176.300 -0.048 0.000 1.152 265 D CA 1.716 55.696 54.000 -0.034 0.000 0.736 265 D CB -0.885 39.900 40.800 -0.024 0.000 1.084 265 D HN 1.140 nan 8.370 nan 0.000 0.429 266 G N -1.034 107.719 108.800 -0.077 0.000 2.199 266 G HA2 -0.284 3.674 3.960 -0.004 0.000 0.254 266 G HA3 -0.284 3.674 3.960 -0.004 0.000 0.254 266 G C -0.169 174.685 174.900 -0.076 0.000 0.982 266 G CA 0.368 45.410 45.100 -0.097 0.000 0.632 266 G HN 0.462 nan 8.290 nan 0.000 0.529 267 D N -0.064 120.298 120.400 -0.063 0.000 2.342 267 D HA 0.721 5.358 4.640 -0.004 0.000 0.243 267 D C 0.500 176.767 176.300 -0.054 0.000 1.019 267 D CA 0.720 54.689 54.000 -0.053 0.000 0.864 267 D CB 1.562 42.335 40.800 -0.045 0.000 1.315 267 D HN 0.789 nan 8.370 nan 0.000 0.468 268 G N -0.197 108.574 108.800 -0.048 0.000 2.623 268 G HA2 0.573 4.531 3.960 -0.004 0.000 0.290 268 G HA3 0.573 4.531 3.960 -0.004 0.000 0.290 268 G C -1.619 173.260 174.900 -0.035 0.000 1.437 268 G CA -0.828 44.244 45.100 -0.046 0.000 0.798 268 G HN 0.352 nan 8.290 nan 0.000 0.488 269 K N -0.152 120.232 120.400 -0.026 0.000 2.507 269 K HA 0.700 5.018 4.320 -0.004 0.000 0.251 269 K C -0.735 175.889 176.600 0.039 0.000 0.943 269 K CA -0.633 55.650 56.287 -0.007 0.000 0.794 269 K CB 1.918 34.392 32.500 -0.044 0.000 1.188 269 K HN 0.870 nan 8.250 nan 0.000 0.428 270 A N 2.478 125.357 122.820 0.097 0.000 2.340 270 A HA 0.682 4.999 4.320 -0.004 0.000 0.331 270 A C -0.879 176.878 177.584 0.289 0.000 1.140 270 A CA -0.524 51.621 52.037 0.180 0.000 0.801 270 A CB 1.666 20.772 19.000 0.177 0.000 1.234 270 A HN 0.613 nan 8.150 nan 0.000 0.469 271 T N 1.909 116.615 114.554 0.253 0.000 2.848 271 T HA 0.464 4.811 4.350 -0.004 0.000 0.285 271 T C -0.996 173.607 174.700 -0.161 0.000 0.995 271 T CA -0.238 61.919 62.100 0.095 0.000 0.970 271 T CB 1.074 70.028 68.868 0.143 0.000 0.976 271 T HN 0.602 nan 8.240 nan 0.000 0.441 272 L N 4.424 125.273 121.223 -0.624 0.000 2.255 272 L HA 0.494 4.831 4.340 -0.004 0.000 0.289 272 L C -0.087 176.576 176.870 -0.345 0.000 1.046 272 L CA -0.395 53.977 54.840 -0.780 0.000 0.816 272 L CB 0.237 41.434 42.059 -1.436 0.000 1.197 272 L HN 0.303 nan 8.230 nan 0.000 0.427 273 K N 3.444 123.747 120.400 -0.160 0.000 2.350 273 K HA 0.072 4.389 4.320 -0.004 0.000 0.279 273 K C 0.902 177.521 176.600 0.032 0.000 1.027 273 K CA -0.265 55.994 56.287 -0.048 0.000 0.969 273 K CB 1.351 33.848 32.500 -0.004 0.000 0.954 273 K HN 0.561 nan 8.250 nan 0.000 0.474 274 R N 2.607 123.151 120.500 0.072 0.000 2.091 274 R HA -0.171 4.166 4.340 -0.004 0.000 0.238 274 R C 0.874 177.286 176.300 0.188 0.000 1.136 274 R CA 1.925 58.123 56.100 0.164 0.000 0.959 274 R CB -0.270 30.088 30.300 0.098 0.000 0.856 274 R HN 0.611 nan 8.270 nan 0.000 0.437 275 D N -0.697 119.767 120.400 0.106 0.000 2.116 275 D HA -0.153 4.484 4.640 -0.004 0.000 0.193 275 D C 1.652 178.004 176.300 0.087 0.000 0.998 275 D CA 2.191 56.241 54.000 0.084 0.000 0.836 275 D CB -0.463 40.366 40.800 0.048 0.000 0.951 275 D HN 0.347 nan 8.370 nan 0.000 0.449 276 T N 0.505 115.110 114.554 0.085 0.000 2.746 276 T HA -0.152 4.196 4.350 -0.004 0.000 0.267 276 T C 1.767 176.532 174.700 0.109 0.000 1.039 276 T CA 0.697 62.837 62.100 0.067 0.000 1.142 276 T CB -0.547 68.349 68.868 0.047 0.000 0.866 276 T HN 0.124 nan 8.240 nan 0.000 0.444 277 F N 2.384 122.359 119.950 0.042 0.000 2.095 277 F HA -0.135 4.389 4.527 -0.004 0.000 0.298 277 F C 2.463 178.355 175.800 0.154 0.000 1.104 277 F CA 1.363 59.441 58.000 0.129 0.000 1.232 277 F CB -0.151 38.965 39.000 0.194 0.000 0.987 277 F HN -0.066 nan 8.300 nan 0.000 0.475 278 R N -0.317 120.285 120.500 0.170 0.000 2.092 278 R HA -0.116 4.221 4.340 -0.004 0.000 0.231 278 R C 2.358 178.627 176.300 -0.053 0.000 1.119 278 R CA 1.472 57.603 56.100 0.052 0.000 0.970 278 R CB -0.756 29.611 30.300 0.111 0.000 0.864 278 R HN 0.241 nan 8.270 nan 0.000 0.440 279 S N 0.621 116.294 115.700 -0.046 0.000 2.400 279 S HA -0.164 4.304 4.470 -0.004 0.000 0.232 279 S C 1.846 176.344 174.600 -0.171 0.000 1.025 279 S CA 1.471 59.623 58.200 -0.080 0.000 0.993 279 S CB -0.141 63.026 63.200 -0.055 0.000 0.808 279 S HN 0.216 nan 8.310 nan 0.000 0.478 280 R N 0.349 120.688 120.500 -0.269 0.000 2.112 280 R HA 0.175 4.512 4.340 -0.004 0.000 0.216 280 R C -0.410 175.408 176.300 -0.803 0.000 1.080 280 R CA 0.954 56.737 56.100 -0.528 0.000 0.996 280 R CB -0.051 29.894 30.300 -0.591 0.000 0.902 280 R HN 0.292 nan 8.270 nan 0.000 0.449 281 F N 0.752 120.481 119.950 -0.369 0.000 2.449 281 F HA 0.423 4.947 4.527 -0.004 0.000 0.329 281 F C -1.833 173.821 175.800 -0.243 0.000 1.245 281 F CA -2.538 55.244 58.000 -0.363 0.000 1.193 281 F CB 1.817 40.451 39.000 -0.611 0.000 1.425 281 F HN 0.017 nan 8.300 nan 0.000 0.544 282 P HA -0.107 nan 4.420 nan 0.000 0.219 282 P C 0.312 177.633 177.300 0.034 0.000 1.150 282 P CA 0.939 64.037 63.100 -0.003 0.000 0.814 282 P CB 0.262 31.949 31.700 -0.022 0.000 0.787 283 N N 0.545 119.274 118.700 0.048 0.000 2.437 283 N HA 0.051 4.789 4.740 -0.004 0.000 0.243 283 N C 0.897 176.455 175.510 0.080 0.000 1.041 283 N CA -0.160 52.924 53.050 0.057 0.000 0.940 283 N CB 0.070 38.588 38.487 0.051 0.000 1.133 283 N HN -0.279 nan 8.380 nan 0.000 0.506 284 L N 3.475 124.742 121.223 0.073 0.000 2.127 284 L HA -0.134 4.204 4.340 -0.004 0.000 0.211 284 L C 1.719 178.637 176.870 0.079 0.000 1.089 284 L CA 1.131 56.020 54.840 0.083 0.000 0.757 284 L CB -0.820 41.278 42.059 0.066 0.000 0.899 284 L HN 0.575 nan 8.230 nan 0.000 0.434 285 N N -0.282 118.459 118.700 0.068 0.000 2.094 285 N HA -0.254 4.484 4.740 -0.004 0.000 0.191 285 N C 1.799 177.367 175.510 0.098 0.000 1.023 285 N CA 1.303 54.393 53.050 0.067 0.000 0.857 285 N CB -0.246 38.275 38.487 0.055 0.000 1.013 285 N HN 0.505 nan 8.380 nan 0.000 0.426 286 E N 0.397 120.662 120.200 0.110 0.000 2.333 286 E HA -0.084 4.263 4.350 -0.004 0.000 0.198 286 E C 1.477 178.187 176.600 0.182 0.000 1.007 286 E CA 0.466 56.946 56.400 0.133 0.000 0.845 286 E CB 0.068 29.848 29.700 0.132 0.000 0.766 286 E HN 0.354 nan 8.360 nan 0.000 0.507 287 L N 0.121 121.438 121.223 0.157 0.000 2.354 287 L HA 0.097 4.435 4.340 -0.004 0.000 0.212 287 L C 0.651 177.627 176.870 0.177 0.000 1.091 287 L CA -0.239 54.709 54.840 0.179 0.000 0.828 287 L CB 0.431 42.570 42.059 0.133 0.000 0.973 287 L HN -0.116 nan 8.230 nan 0.000 0.461 288 V N 1.954 121.909 119.914 0.068 0.000 2.509 288 V HA 0.102 4.219 4.120 -0.004 0.000 0.297 288 V C 1.334 177.247 176.094 -0.303 0.000 1.014 288 V CA 1.385 63.651 62.300 -0.057 0.000 1.127 288 V CB -0.097 31.707 31.823 -0.033 0.000 0.925 288 V HN 0.673 nan 8.190 nan 0.000 0.480 289 G N 3.657 112.313 108.800 -0.240 0.000 2.175 289 G HA2 -0.206 3.751 3.960 -0.004 0.000 0.244 289 G HA3 -0.206 3.751 3.960 -0.004 0.000 0.244 289 G C -0.054 174.656 174.900 -0.318 0.000 0.982 289 G CA 0.301 45.223 45.100 -0.296 0.000 0.641 289 G HN 0.820 nan 8.290 nan 0.000 0.527 290 H N -0.224 118.867 119.070 0.034 0.000 2.713 290 H HA 0.772 5.326 4.556 -0.004 0.000 0.340 290 H C 0.491 175.786 175.328 -0.056 0.000 1.271 290 H CA -0.065 55.975 56.048 -0.013 0.000 1.306 290 H CB 1.685 31.425 29.762 -0.037 0.000 1.839 290 H HN 0.363 nan 8.280 nan 0.000 0.627 291 T N -0.640 113.944 114.554 0.050 0.000 2.907 291 T HA 0.467 4.814 4.350 -0.004 0.000 0.292 291 T C -0.880 173.783 174.700 -0.061 0.000 1.043 291 T CA -0.970 61.073 62.100 -0.096 0.000 1.003 291 T CB 1.433 70.165 68.868 -0.226 0.000 1.084 291 T HN 0.271 nan 8.240 nan 0.000 0.483 292 L N 2.825 123.951 121.223 -0.162 0.000 2.375 292 L HA 0.695 5.032 4.340 -0.004 0.000 0.271 292 L C -0.916 175.870 176.870 -0.139 0.000 1.107 292 L CA -0.493 54.191 54.840 -0.260 0.000 0.806 292 L CB 0.469 42.168 42.059 -0.600 0.000 1.146 292 L HN 0.842 nan 8.230 nan 0.000 0.447 293 Y N 2.388 122.614 120.300 -0.124 0.000 2.576 293 Y HA 0.892 5.439 4.550 -0.004 0.000 0.346 293 Y C -1.045 174.804 175.900 -0.085 0.000 1.018 293 Y CA -1.330 56.711 58.100 -0.098 0.000 1.050 293 Y CB 1.385 39.795 38.460 -0.083 0.000 1.280 293 Y HN 0.709 nan 8.280 nan 0.000 0.474 294 A N 1.825 124.651 122.820 0.009 0.000 2.332 294 A HA 0.573 4.891 4.320 -0.004 0.000 0.300 294 A C -0.856 176.680 177.584 -0.079 0.000 1.153 294 A CA -0.659 51.205 52.037 -0.289 0.000 0.764 294 A CB 0.971 19.629 19.000 -0.570 0.000 1.174 294 A HN 0.840 nan 8.150 nan 0.000 0.467 295 S N 2.114 117.800 115.700 -0.024 0.000 2.474 295 S HA 0.483 4.950 4.470 -0.004 0.000 0.276 295 S C -0.393 174.173 174.600 -0.057 0.000 1.227 295 S CA -0.216 57.988 58.200 0.007 0.000 1.050 295 S CB -0.050 63.193 63.200 0.072 0.000 0.939 295 S HN 0.759 nan 8.310 nan 0.000 0.490 296 V N 5.842 125.736 119.914 -0.034 0.000 2.378 296 V HA 0.433 4.550 4.120 -0.004 0.000 0.288 296 V C -0.033 176.080 176.094 0.032 0.000 1.016 296 V CA -0.635 61.656 62.300 -0.015 0.000 0.840 296 V CB 1.731 33.538 31.823 -0.027 0.000 0.994 296 V HN 0.908 nan 8.190 nan 0.000 0.431 297 T N 4.715 119.321 114.554 0.088 0.000 2.809 297 T HA 0.529 4.877 4.350 -0.004 0.000 0.296 297 T C -0.339 174.471 174.700 0.183 0.000 1.015 297 T CA -0.324 61.853 62.100 0.127 0.000 0.954 297 T CB 1.411 70.365 68.868 0.144 0.000 0.950 297 T HN 0.315 nan 8.240 nan 0.000 0.450 298 V N 5.373 125.394 119.914 0.178 0.000 2.435 298 V HA 0.536 4.654 4.120 -0.004 0.000 0.290 298 V C -0.114 176.145 176.094 0.275 0.000 1.030 298 V CA -0.749 61.674 62.300 0.205 0.000 0.881 298 V CB 1.505 33.477 31.823 0.248 0.000 0.983 298 V HN 0.852 nan 8.190 nan 0.000 0.445 299 M N 3.645 123.356 119.600 0.185 0.000 2.364 299 M HA 0.443 4.921 4.480 -0.004 0.000 0.334 299 M C 0.345 176.655 176.300 0.016 0.000 1.107 299 M CA -0.484 54.914 55.300 0.163 0.000 0.988 299 M CB 2.192 34.899 32.600 0.179 0.000 1.673 299 M HN 0.786 nan 8.290 nan 0.000 0.441 300 T N -1.739 112.801 114.554 -0.024 0.000 2.856 300 T HA 0.102 4.449 4.350 -0.004 0.000 0.306 300 T C 1.005 175.688 174.700 -0.029 0.000 1.062 300 T CA -0.352 61.673 62.100 -0.125 0.000 1.083 300 T CB 0.633 69.455 68.868 -0.077 0.000 0.984 300 T HN 0.816 nan 8.240 nan 0.000 0.542 301 E N 1.310 121.489 120.200 -0.036 0.000 2.153 301 E HA -0.159 4.189 4.350 -0.004 0.000 0.194 301 E C 1.967 178.579 176.600 0.020 0.000 0.988 301 E CA 1.622 58.018 56.400 -0.007 0.000 0.811 301 E CB -0.708 28.985 29.700 -0.012 0.000 0.746 301 E HN 0.713 nan 8.360 nan 0.000 0.466 302 S N -0.790 114.929 115.700 0.032 0.000 2.562 302 S HA 0.247 4.714 4.470 -0.004 0.000 0.221 302 S C 1.786 176.417 174.600 0.052 0.000 0.975 302 S CA 0.108 58.333 58.200 0.041 0.000 0.918 302 S CB -0.295 62.933 63.200 0.047 0.000 0.772 302 S HN 0.760 nan 8.310 nan 0.000 0.531 303 G N 1.455 110.291 108.800 0.061 0.000 2.155 303 G HA2 -0.351 3.606 3.960 -0.004 0.000 0.257 303 G HA3 -0.351 3.606 3.960 -0.004 0.000 0.257 303 G C 0.953 175.904 174.900 0.084 0.000 0.983 303 G CA 0.766 45.911 45.100 0.074 0.000 0.676 303 G HN 1.241 nan 8.290 nan 0.000 0.528 304 S N -1.547 114.209 115.700 0.093 0.000 2.489 304 S HA 0.342 4.810 4.470 -0.004 0.000 0.228 304 S C 0.560 175.244 174.600 0.139 0.000 0.995 304 S CA 1.199 59.462 58.200 0.104 0.000 0.934 304 S CB 0.602 63.864 63.200 0.104 0.000 0.771 304 S HN 0.565 nan 8.310 nan 0.000 0.522 305 D N -0.628 119.879 120.400 0.179 0.000 2.654 305 D HA 0.554 5.192 4.640 -0.004 0.000 0.231 305 D C -1.527 174.959 176.300 0.310 0.000 1.239 305 D CA -0.388 53.763 54.000 0.251 0.000 0.790 305 D CB 1.986 43.005 40.800 0.366 0.000 1.480 305 D HN 0.230 nan 8.370 nan 0.000 0.442 306 M N 2.203 121.954 119.600 0.251 0.000 2.433 306 M HA 0.610 5.087 4.480 -0.004 0.000 0.290 306 M C -1.998 174.328 176.300 0.043 0.000 1.173 306 M CA -0.650 54.779 55.300 0.214 0.000 0.905 306 M CB 2.036 34.715 32.600 0.131 0.000 1.692 306 M HN 0.167 nan 8.290 nan 0.000 0.462 307 V N 4.199 124.119 119.914 0.010 0.000 2.638 307 V HA 0.576 4.693 4.120 -0.004 0.000 0.306 307 V C -1.039 175.028 176.094 -0.045 0.000 1.052 307 V CA -0.704 61.492 62.300 -0.173 0.000 0.885 307 V CB 2.197 33.711 31.823 -0.514 0.000 0.999 307 V HN 0.674 nan 8.190 nan 0.000 0.424 308 V N 4.646 124.527 119.914 -0.055 0.000 2.357 308 V HA 0.738 4.856 4.120 -0.004 0.000 0.284 308 V C 0.267 176.331 176.094 -0.050 0.000 1.018 308 V CA -0.183 62.100 62.300 -0.027 0.000 0.841 308 V CB 1.586 33.397 31.823 -0.020 0.000 0.991 308 V HN 1.077 nan 8.190 nan 0.000 0.437 309 T N 1.278 115.809 114.554 -0.039 0.000 2.804 309 T HA 0.812 5.159 4.350 -0.004 0.000 0.290 309 T C -0.948 173.730 174.700 -0.036 0.000 1.099 309 T CA -0.865 61.206 62.100 -0.049 0.000 1.011 309 T CB 2.682 71.519 68.868 -0.053 0.000 1.291 309 T HN 0.630 nan 8.240 nan 0.000 0.523 310 E N 0.098 120.275 120.200 -0.039 0.000 2.290 310 E HA 0.415 4.763 4.350 -0.004 0.000 0.274 310 E C -1.527 175.067 176.600 -0.011 0.000 0.889 310 E CA -0.634 55.752 56.400 -0.023 0.000 0.760 310 E CB 2.098 31.771 29.700 -0.046 0.000 1.206 310 E HN 0.599 nan 8.360 nan 0.000 0.419 311 Q N 2.626 122.434 119.800 0.013 0.000 2.322 311 Q HA 0.362 4.700 4.340 -0.004 0.000 0.256 311 Q C -1.306 174.726 176.000 0.053 0.000 0.960 311 Q CA -0.080 55.744 55.803 0.035 0.000 0.934 311 Q CB 1.052 29.831 28.738 0.068 0.000 1.200 311 Q HN 0.523 nan 8.270 nan 0.000 0.435 312 S N 1.822 117.538 115.700 0.027 0.000 2.806 312 S HA 0.838 5.306 4.470 -0.004 0.000 0.315 312 S C 0.550 175.140 174.600 -0.016 0.000 1.127 312 S CA -0.591 57.620 58.200 0.017 0.000 0.918 312 S CB 1.067 64.254 63.200 -0.022 0.000 1.240 312 S HN 1.341 nan 8.310 nan 0.000 0.552 313 G N 0.026 108.783 108.800 -0.071 0.000 2.225 313 G HA2 -0.184 3.773 3.960 -0.004 0.000 0.267 313 G HA3 -0.184 3.773 3.960 -0.004 0.000 0.267 313 G C -0.126 174.693 174.900 -0.135 0.000 1.024 313 G CA 0.080 45.092 45.100 -0.147 0.000 0.784 313 G HN 0.648 nan 8.290 nan 0.000 0.507 314 I N 2.567 123.059 120.570 -0.130 0.000 2.293 314 I HA 0.166 4.334 4.170 -0.004 0.000 0.299 314 I C 1.020 177.066 176.117 -0.119 0.000 1.153 314 I CA -0.873 60.369 61.300 -0.096 0.000 1.302 314 I CB -0.833 37.015 38.000 -0.254 0.000 1.460 314 I HN 0.187 nan 8.210 nan 0.000 0.552 315 H N 6.223 125.309 119.070 0.027 0.000 2.928 315 H HA 0.226 4.779 4.556 -0.004 0.000 0.338 315 H C 0.188 175.543 175.328 0.044 0.000 1.047 315 H CA 0.221 56.285 56.048 0.027 0.000 1.435 315 H CB 1.534 31.304 29.762 0.013 0.000 1.428 315 H HN 0.398 nan 8.280 nan 0.000 0.590 316 I N 4.748 125.397 120.570 0.132 0.000 2.291 316 I HA 0.098 4.266 4.170 -0.004 0.000 0.290 316 I C 0.408 176.577 176.117 0.087 0.000 1.050 316 I CA -0.312 61.061 61.300 0.121 0.000 1.245 316 I CB 0.435 38.515 38.000 0.134 0.000 1.405 316 I HN 0.236 nan 8.210 nan 0.000 0.478 317 V N 2.631 122.578 119.914 0.055 0.000 3.160 317 V HA 0.782 4.899 4.120 -0.004 0.000 0.310 317 V C 0.334 176.470 176.094 0.069 0.000 1.181 317 V CA -0.607 61.700 62.300 0.011 0.000 1.047 317 V CB 1.798 33.568 31.823 -0.088 0.000 1.068 317 V HN 0.587 nan 8.190 nan 0.000 0.441 318 A N 0.422 123.273 122.820 0.053 0.000 2.303 318 A HA 0.679 4.996 4.320 -0.004 0.000 0.217 318 A C 0.985 178.650 177.584 0.134 0.000 1.205 318 A CA 0.749 52.852 52.037 0.110 0.000 0.875 318 A CB -0.170 18.846 19.000 0.026 0.000 0.910 318 A HN 1.443 nan 8.150 nan 0.000 0.501 319 S N -1.255 114.459 115.700 0.023 0.000 2.556 319 S HA 0.560 5.028 4.470 -0.004 0.000 0.271 319 S C -2.778 171.555 174.600 -0.445 0.000 1.135 319 S CA -1.001 57.155 58.200 -0.074 0.000 0.858 319 S CB 1.671 64.813 63.200 -0.097 0.000 1.114 319 S HN -0.065 nan 8.310 nan 0.000 0.468 320 P HA 0.195 nan 4.420 nan 0.000 0.236 320 P C -0.819 175.837 177.300 -1.074 0.000 1.177 320 P CA 0.749 62.969 63.100 -1.467 0.000 0.773 320 P CB -0.096 30.724 31.700 -1.466 0.000 0.878 321 Y N -0.823 119.263 120.300 -0.356 0.000 2.598 321 Y HA 0.573 5.120 4.550 -0.004 0.000 0.340 321 Y C 0.536 176.270 175.900 -0.276 0.000 1.038 321 Y CA -1.042 56.894 58.100 -0.274 0.000 1.100 321 Y CB 1.231 39.570 38.460 -0.202 0.000 1.281 321 Y HN -0.284 nan 8.280 nan 0.000 0.488 322 Q N 1.362 121.093 119.800 -0.115 0.000 2.347 322 Q HA 0.609 4.946 4.340 -0.004 0.000 0.271 322 Q C -1.449 174.273 176.000 -0.464 0.000 1.064 322 Q CA -0.673 54.940 55.803 -0.316 0.000 0.800 322 Q CB 3.008 31.525 28.738 -0.368 0.000 1.304 322 Q HN 0.538 nan 8.270 nan 0.000 0.438 323 I N 2.810 123.059 120.570 -0.535 0.000 2.359 323 I HA 0.314 4.481 4.170 -0.004 0.000 0.294 323 I C -0.320 175.292 176.117 -0.842 0.000 0.987 323 I CA -0.559 60.391 61.300 -0.584 0.000 1.225 323 I CB 0.707 38.426 38.000 -0.469 0.000 1.366 323 I HN 0.459 nan 8.210 nan 0.000 0.466 324 H N 5.876 124.706 119.070 -0.400 0.000 2.622 324 H HA 0.325 4.878 4.556 -0.004 0.000 0.363 324 H C -0.605 174.525 175.328 -0.331 0.000 1.151 324 H CA -0.562 55.310 56.048 -0.293 0.000 1.184 324 H CB 2.049 31.788 29.762 -0.039 0.000 1.643 324 H HN 0.456 nan 8.280 nan 0.000 0.531 325 F N 0.447 120.493 119.950 0.161 0.000 2.647 325 F HA 0.018 4.542 4.527 -0.004 0.000 0.300 325 F C 2.143 177.980 175.800 0.063 0.000 1.106 325 F CA -0.134 57.924 58.000 0.097 0.000 1.313 325 F CB 0.043 39.075 39.000 0.054 0.000 1.007 325 F HN 0.489 nan 8.300 nan 0.000 0.536 326 T N -3.125 111.544 114.554 0.191 0.000 3.051 326 T HA -0.123 4.225 4.350 -0.004 0.000 0.269 326 T C 1.462 176.107 174.700 -0.092 0.000 1.127 326 T CA 1.009 63.127 62.100 0.031 0.000 1.107 326 T CB -0.221 68.624 68.868 -0.038 0.000 0.898 326 T HN 0.215 nan 8.240 nan 0.000 0.517 327 K N 0.448 120.833 120.400 -0.024 0.000 2.399 327 K HA 0.245 4.563 4.320 -0.004 0.000 0.204 327 K C 0.189 176.821 176.600 0.053 0.000 1.023 327 K CA -0.104 56.135 56.287 -0.081 0.000 1.127 327 K CB 0.897 33.361 32.500 -0.061 0.000 0.856 327 K HN 0.165 nan 8.250 nan 0.000 0.514 328 T N 1.792 116.404 114.554 0.097 0.000 2.863 328 T HA 0.362 4.709 4.350 -0.004 0.000 0.285 328 T C -2.824 171.951 174.700 0.125 0.000 1.009 328 T CA -2.598 59.571 62.100 0.114 0.000 0.989 328 T CB 1.332 70.303 68.868 0.172 0.000 1.004 328 T HN -0.215 nan 8.240 nan 0.000 0.455 329 P HA 0.279 nan 4.420 nan 0.000 0.269 329 P C -0.210 177.200 177.300 0.183 0.000 1.209 329 P CA -0.240 62.985 63.100 0.208 0.000 0.776 329 P CB 0.483 32.352 31.700 0.280 0.000 0.876 330 K N 0.942 121.343 120.400 0.000 0.000 2.410 330 K HA 0.197 4.515 4.320 -0.004 0.000 0.200 330 K C -0.532 175.725 176.600 -0.571 0.000 1.023 330 K CA 0.173 56.275 56.287 -0.309 0.000 1.149 330 K CB -0.263 31.953 32.500 -0.473 0.000 0.859 330 K HN 0.456 nan 8.250 nan 0.000 0.514 331 Y N -0.504 119.903 120.300 0.179 0.000 2.512 331 Y HA 0.469 5.016 4.550 -0.004 0.000 0.348 331 Y C -0.223 175.832 175.900 0.259 0.000 0.990 331 Y CA -1.870 56.325 58.100 0.158 0.000 1.033 331 Y CB 1.371 39.913 38.460 0.137 0.000 1.259 331 Y HN -0.067 nan 8.280 nan 0.000 0.461 332 F N -1.122 118.954 119.950 0.210 0.000 2.620 332 F HA 0.890 5.414 4.527 -0.004 0.000 0.320 332 F C -1.560 174.296 175.800 0.094 0.000 1.069 332 F CA -1.704 56.373 58.000 0.129 0.000 0.953 332 F CB 1.489 40.424 39.000 -0.108 0.000 1.322 332 F HN 0.110 nan 8.300 nan 0.000 0.479 333 K N 2.539 122.996 120.400 0.094 0.000 2.334 333 K HA 0.456 4.774 4.320 -0.004 0.000 0.265 333 K C -2.807 173.693 176.600 -0.165 0.000 1.039 333 K CA -2.014 54.128 56.287 -0.241 0.000 0.920 333 K CB 0.944 33.256 32.500 -0.314 0.000 1.160 333 K HN 0.259 nan 8.250 nan 0.000 0.451 334 P HA -0.051 nan 4.420 nan 0.000 0.263 334 P C 0.745 177.979 177.300 -0.109 0.000 1.175 334 P CA 0.961 64.090 63.100 0.048 0.000 0.761 334 P CB 0.620 32.350 31.700 0.050 0.000 0.794 335 G N 1.545 110.344 108.800 -0.002 0.000 2.179 335 G HA2 -0.273 3.684 3.960 -0.004 0.000 0.260 335 G HA3 -0.273 3.684 3.960 -0.004 0.000 0.260 335 G C 0.028 174.906 174.900 -0.037 0.000 0.977 335 G CA -0.060 45.031 45.100 -0.015 0.000 0.641 335 G HN 0.482 nan 8.290 nan 0.000 0.533 336 M N 0.208 119.768 119.600 -0.066 0.000 2.535 336 M HA 0.444 4.921 4.480 -0.004 0.000 0.314 336 M C -2.598 173.654 176.300 -0.081 0.000 1.153 336 M CA -2.142 53.107 55.300 -0.085 0.000 0.924 336 M CB 2.325 34.833 32.600 -0.154 0.000 1.710 336 M HN -0.147 nan 8.290 nan 0.000 0.451 337 P HA 0.037 nan 4.420 nan 0.000 0.271 337 P C -1.732 175.494 177.300 -0.124 0.000 1.216 337 P CA 0.058 63.117 63.100 -0.069 0.000 0.776 337 P CB 0.198 31.870 31.700 -0.047 0.000 0.881 338 Y N 2.072 122.259 120.300 -0.188 0.000 2.328 338 Y HA 0.252 4.800 4.550 -0.004 0.000 0.337 338 Y C 0.042 175.862 175.900 -0.132 0.000 1.008 338 Y CA -0.614 57.377 58.100 -0.181 0.000 1.129 338 Y CB 1.078 39.422 38.460 -0.194 0.000 1.185 338 Y HN 0.337 nan 8.280 nan 0.000 0.476 339 E N 6.965 126.741 120.200 -0.708 0.000 2.105 339 E HA 0.188 4.535 4.350 -0.004 0.000 0.285 339 E C -1.381 174.708 176.600 -0.852 0.000 1.055 339 E CA -0.658 55.413 56.400 -0.548 0.000 0.843 339 E CB 1.252 30.802 29.700 -0.251 0.000 1.067 339 E HN 0.535 nan 8.360 nan 0.000 0.398 340 L N 3.573 124.505 121.223 -0.484 0.000 2.262 340 L HA 0.237 4.575 4.340 -0.004 0.000 0.288 340 L C -0.529 176.305 176.870 -0.060 0.000 1.035 340 L CA -0.008 54.706 54.840 -0.209 0.000 0.820 340 L CB 1.336 43.413 42.059 0.031 0.000 1.204 340 L HN 0.244 nan 8.230 nan 0.000 0.424 341 T N 4.891 119.442 114.554 -0.004 0.000 2.743 341 T HA 0.461 4.809 4.350 -0.004 0.000 0.293 341 T C -0.235 174.561 174.700 0.161 0.000 0.945 341 T CA -0.256 61.877 62.100 0.055 0.000 1.030 341 T CB 0.871 69.766 68.868 0.045 0.000 0.912 341 T HN 0.352 nan 8.240 nan 0.000 0.483 342 V N 4.725 124.722 119.914 0.138 0.000 2.427 342 V HA 0.370 4.488 4.120 -0.004 0.000 0.286 342 V C -0.849 175.338 176.094 0.154 0.000 1.034 342 V CA -0.894 61.491 62.300 0.142 0.000 0.893 342 V CB 1.121 32.994 31.823 0.083 0.000 0.982 342 V HN 0.745 nan 8.190 nan 0.000 0.452 343 Y N 4.976 125.258 120.300 -0.030 0.000 2.328 343 Y HA 0.669 5.216 4.550 -0.004 0.000 0.333 343 Y C -0.536 175.352 175.900 -0.020 0.000 0.958 343 Y CA -1.275 56.822 58.100 -0.005 0.000 1.167 343 Y CB 1.667 40.149 38.460 0.037 0.000 1.151 343 Y HN 0.384 nan 8.280 nan 0.000 0.470 344 V N 6.207 126.002 119.914 -0.200 0.000 2.435 344 V HA 0.599 4.716 4.120 -0.004 0.000 0.290 344 V C 0.007 175.861 176.094 -0.400 0.000 1.030 344 V CA -0.435 61.682 62.300 -0.305 0.000 0.881 344 V CB 1.556 33.221 31.823 -0.263 0.000 0.983 344 V HN 0.863 nan 8.190 nan 0.000 0.445 345 T N 1.000 115.363 114.554 -0.320 0.000 2.930 345 T HA 0.534 4.881 4.350 -0.004 0.000 0.290 345 T C -0.267 174.402 174.700 -0.053 0.000 1.052 345 T CA -0.987 60.978 62.100 -0.225 0.000 1.017 345 T CB 1.655 70.383 68.868 -0.233 0.000 1.137 345 T HN 0.436 nan 8.240 nan 0.000 0.511 346 N N 1.426 120.114 118.700 -0.020 0.000 2.381 346 N HA 0.257 4.995 4.740 -0.004 0.000 0.254 346 N C -1.856 173.588 175.510 -0.110 0.000 1.264 346 N CA -1.797 51.234 53.050 -0.033 0.000 0.942 346 N CB 0.314 38.813 38.487 0.020 0.000 1.190 346 N HN 0.421 nan 8.380 nan 0.000 0.495 347 P HA -0.086 nan 4.420 nan 0.000 0.225 347 P C 0.408 177.457 177.300 -0.419 0.000 1.148 347 P CA 1.091 64.013 63.100 -0.297 0.000 0.779 347 P CB 0.125 31.680 31.700 -0.241 0.000 0.780 348 D N -2.052 118.258 120.400 -0.150 0.000 2.339 348 D HA 0.089 4.727 4.640 -0.004 0.000 0.217 348 D C 1.445 177.725 176.300 -0.035 0.000 1.050 348 D CA 0.605 54.581 54.000 -0.041 0.000 0.856 348 D CB -0.753 40.109 40.800 0.104 0.000 0.922 348 D HN 0.191 nan 8.370 nan 0.000 0.518 349 G N 0.411 109.174 108.800 -0.062 0.000 2.175 349 G HA2 -0.275 3.683 3.960 -0.004 0.000 0.244 349 G HA3 -0.275 3.683 3.960 -0.004 0.000 0.244 349 G C 0.369 175.259 174.900 -0.016 0.000 0.982 349 G CA 0.325 45.394 45.100 -0.052 0.000 0.641 349 G HN 0.775 nan 8.290 nan 0.000 0.527 350 S N 0.604 116.308 115.700 0.006 0.000 2.579 350 S HA 0.582 5.050 4.470 -0.004 0.000 0.275 350 S C -2.168 172.438 174.600 0.011 0.000 1.345 350 S CA -0.999 57.220 58.200 0.032 0.000 1.031 350 S CB 1.606 64.832 63.200 0.043 0.000 0.892 350 S HN 0.182 nan 8.310 nan 0.000 0.529 351 P HA 0.324 nan 4.420 nan 0.000 0.271 351 P C -1.068 176.234 177.300 0.003 0.000 1.216 351 P CA -0.213 62.911 63.100 0.040 0.000 0.771 351 P CB 0.436 32.219 31.700 0.137 0.000 0.864 352 A N 2.963 125.759 122.820 -0.040 0.000 2.253 352 A HA 0.637 4.954 4.320 -0.004 0.000 0.316 352 A C 0.222 177.752 177.584 -0.090 0.000 1.327 352 A CA -0.483 51.539 52.037 -0.023 0.000 0.917 352 A CB -0.025 18.970 19.000 -0.009 0.000 1.162 352 A HN 0.551 nan 8.150 nan 0.000 0.535 353 A N 2.373 125.131 122.820 -0.103 0.000 2.286 353 A HA 0.616 4.934 4.320 -0.004 0.000 0.286 353 A C 0.600 178.058 177.584 -0.211 0.000 1.097 353 A CA -0.348 51.523 52.037 -0.278 0.000 0.821 353 A CB -0.110 18.599 19.000 -0.485 0.000 1.076 353 A HN 1.309 nan 8.150 nan 0.000 0.490 354 H N -1.467 117.598 119.070 -0.007 0.000 2.899 354 H HA -0.137 4.416 4.556 -0.004 0.000 0.282 354 H C -0.426 174.887 175.328 -0.024 0.000 1.198 354 H CA 0.714 56.758 56.048 -0.007 0.000 1.140 354 H CB -2.458 27.318 29.762 0.023 0.000 1.317 354 H HN 0.362 nan 8.280 nan 0.000 0.375 355 V N 1.970 121.871 119.914 -0.021 0.000 2.383 355 V HA 0.245 4.363 4.120 -0.004 0.000 0.275 355 V C -1.730 174.312 176.094 -0.087 0.000 1.036 355 V CA -1.414 60.823 62.300 -0.105 0.000 0.889 355 V CB 1.663 33.229 31.823 -0.428 0.000 0.985 355 V HN -0.030 nan 8.190 nan 0.000 0.459 356 P HA 0.277 nan 4.420 nan 0.000 0.271 356 P C -0.648 176.623 177.300 -0.049 0.000 1.216 356 P CA 0.070 63.142 63.100 -0.048 0.000 0.776 356 P CB 0.950 32.620 31.700 -0.050 0.000 0.881 357 V N 1.252 121.145 119.914 -0.034 0.000 3.001 357 V HA 0.913 5.030 4.120 -0.004 0.000 0.314 357 V C -0.512 175.585 176.094 0.004 0.000 1.099 357 V CA -1.250 61.037 62.300 -0.022 0.000 0.989 357 V CB 2.198 34.004 31.823 -0.028 0.000 1.040 357 V HN 0.443 nan 8.190 nan 0.000 0.434 358 V N -0.930 118.994 119.914 0.017 0.000 2.891 358 V HA 0.783 4.900 4.120 -0.004 0.000 0.304 358 V C -0.453 175.669 176.094 0.047 0.000 1.171 358 V CA -0.117 62.201 62.300 0.030 0.000 0.943 358 V CB 1.242 33.078 31.823 0.022 0.000 1.037 358 V HN 1.357 nan 8.190 nan 0.000 0.427 359 S N 2.267 118.007 115.700 0.067 0.000 2.423 359 S HA 0.408 4.876 4.470 -0.004 0.000 0.317 359 S C 0.746 175.383 174.600 0.062 0.000 1.065 359 S CA -0.270 57.988 58.200 0.096 0.000 1.111 359 S CB 0.972 64.260 63.200 0.146 0.000 0.968 359 S HN 0.903 nan 8.310 nan 0.000 0.474 360 E N 3.666 123.862 120.200 -0.006 0.000 2.072 360 E HA -0.102 4.246 4.350 -0.004 0.000 0.191 360 E C 2.224 178.652 176.600 -0.287 0.000 0.985 360 E CA 1.217 57.540 56.400 -0.128 0.000 0.801 360 E CB -0.161 29.476 29.700 -0.105 0.000 0.750 360 E HN 0.833 nan 8.360 nan 0.000 0.452 361 A N 0.425 123.140 122.820 -0.176 0.000 2.024 361 A HA -0.149 4.169 4.320 -0.004 0.000 0.220 361 A C 1.555 178.874 177.584 -0.441 0.000 1.164 361 A CA 1.179 53.027 52.037 -0.314 0.000 0.643 361 A CB -0.455 18.380 19.000 -0.275 0.000 0.806 361 A HN 0.209 nan 8.150 nan 0.000 0.451 362 F N -2.151 117.719 119.950 -0.133 0.000 2.695 362 F HA 0.233 4.757 4.527 -0.004 0.000 0.303 362 F C 0.546 176.402 175.800 0.094 0.000 1.091 362 F CA 0.137 58.134 58.000 -0.004 0.000 1.300 362 F CB -0.160 38.836 39.000 -0.006 0.000 1.071 362 F HN 0.395 nan 8.300 nan 0.000 0.578 363 H N -0.725 118.415 119.070 0.115 0.000 2.713 363 H HA -0.186 4.368 4.556 -0.004 0.000 0.311 363 H C 0.131 175.509 175.328 0.084 0.000 1.175 363 H CA 0.423 56.515 56.048 0.072 0.000 1.143 363 H CB -1.924 27.861 29.762 0.037 0.000 1.434 363 H HN 0.045 nan 8.280 nan 0.000 0.418 364 S N 0.473 116.273 115.700 0.166 0.000 2.451 364 S HA 0.697 5.165 4.470 -0.004 0.000 0.301 364 S C 0.233 174.875 174.600 0.071 0.000 1.116 364 S CA -0.744 57.523 58.200 0.112 0.000 1.093 364 S CB 0.856 64.111 63.200 0.091 0.000 1.017 364 S HN 0.286 nan 8.310 nan 0.000 0.482 365 M N 2.464 122.095 119.600 0.051 0.000 2.572 365 M HA 0.722 5.200 4.480 -0.004 0.000 0.299 365 M C 0.070 176.382 176.300 0.019 0.000 1.205 365 M CA -0.717 54.603 55.300 0.032 0.000 0.876 365 M CB 2.514 35.131 32.600 0.029 0.000 1.728 365 M HN 0.759 nan 8.290 nan 0.000 0.458 366 G N 0.341 109.147 108.800 0.009 0.000 2.623 366 G HA2 0.692 4.650 3.960 -0.004 0.000 0.290 366 G HA3 0.692 4.650 3.960 -0.004 0.000 0.290 366 G C -1.634 173.263 174.900 -0.005 0.000 1.437 366 G CA -0.596 44.505 45.100 0.002 0.000 0.798 366 G HN 0.729 nan 8.290 nan 0.000 0.488 367 T N -1.863 112.689 114.554 -0.004 0.000 2.861 367 T HA 0.663 5.011 4.350 -0.004 0.000 0.287 367 T C 0.441 175.137 174.700 -0.006 0.000 1.003 367 T CA 0.044 62.141 62.100 -0.005 0.000 0.977 367 T CB 1.305 70.180 68.868 0.013 0.000 0.996 367 T HN 1.291 nan 8.240 nan 0.000 0.448 368 T N 2.353 116.888 114.554 -0.031 0.000 2.926 368 T HA 0.482 4.830 4.350 -0.004 0.000 0.307 368 T C 0.527 175.190 174.700 -0.062 0.000 1.059 368 T CA -0.700 61.374 62.100 -0.043 0.000 1.122 368 T CB 0.019 68.845 68.868 -0.070 0.000 0.972 368 T HN 0.607 nan 8.240 nan 0.000 0.545 369 L N 2.198 123.385 121.223 -0.060 0.000 2.569 369 L HA 0.351 4.689 4.340 -0.004 0.000 0.247 369 L C 2.341 179.124 176.870 -0.145 0.000 1.135 369 L CA -0.594 54.193 54.840 -0.088 0.000 0.812 369 L CB 0.310 42.341 42.059 -0.046 0.000 1.431 369 L HN 0.943 nan 8.230 nan 0.000 0.499 370 S N -0.509 115.105 115.700 -0.143 0.000 2.440 370 S HA -0.188 4.279 4.470 -0.004 0.000 0.238 370 S C 1.080 175.646 174.600 -0.057 0.000 1.010 370 S CA 1.323 59.444 58.200 -0.131 0.000 0.972 370 S CB -0.601 62.553 63.200 -0.075 0.000 0.774 370 S HN 0.836 nan 8.310 nan 0.000 0.501 371 D N 0.034 120.418 120.400 -0.028 0.000 2.328 371 D HA 0.246 4.883 4.640 -0.004 0.000 0.221 371 D C 1.389 177.762 176.300 0.122 0.000 1.072 371 D CA 0.524 54.539 54.000 0.025 0.000 0.850 371 D CB -0.689 40.102 40.800 -0.014 0.000 0.922 371 D HN 0.605 nan 8.370 nan 0.000 0.516 372 G N 0.335 109.179 108.800 0.072 0.000 2.162 372 G HA2 -0.263 3.694 3.960 -0.004 0.000 0.260 372 G HA3 -0.263 3.694 3.960 -0.004 0.000 0.260 372 G C 0.420 175.419 174.900 0.165 0.000 0.976 372 G CA 0.702 45.867 45.100 0.107 0.000 0.655 372 G HN 0.833 nan 8.290 nan 0.000 0.533 373 T N -2.173 112.453 114.554 0.120 0.000 2.895 373 T HA 0.883 5.231 4.350 -0.004 0.000 0.283 373 T C -0.221 174.498 174.700 0.032 0.000 1.014 373 T CA 0.304 62.467 62.100 0.104 0.000 1.037 373 T CB 2.457 71.362 68.868 0.062 0.000 1.006 373 T HN 1.809 nan 8.240 nan 0.000 0.468 374 A N 2.171 125.009 122.820 0.030 0.000 2.381 374 A HA 0.671 4.989 4.320 -0.004 0.000 0.299 374 A C -0.351 177.237 177.584 0.006 0.000 1.049 374 A CA -1.012 51.029 52.037 0.007 0.000 0.715 374 A CB 1.297 20.297 19.000 0.001 0.000 1.222 374 A HN 0.980 nan 8.150 nan 0.000 0.428 375 K N 3.321 123.712 120.400 -0.015 0.000 2.248 375 K HA 0.625 4.943 4.320 -0.004 0.000 0.281 375 K C -1.241 175.339 176.600 -0.034 0.000 1.054 375 K CA -0.269 55.998 56.287 -0.033 0.000 0.903 375 K CB 0.389 32.855 32.500 -0.057 0.000 1.077 375 K HN 0.687 nan 8.250 nan 0.000 0.474 376 L N 5.374 126.574 121.223 -0.038 0.000 2.329 376 L HA 0.456 4.793 4.340 -0.004 0.000 0.279 376 L C -0.341 176.482 176.870 -0.078 0.000 1.014 376 L CA -1.277 53.540 54.840 -0.039 0.000 0.814 376 L CB 1.550 43.598 42.059 -0.019 0.000 1.257 376 L HN 0.526 nan 8.230 nan 0.000 0.424 377 I N 4.194 124.727 120.570 -0.061 0.000 2.304 377 I HA 0.295 4.463 4.170 -0.004 0.000 0.291 377 I C -0.276 175.802 176.117 -0.064 0.000 1.018 377 I CA -0.519 60.738 61.300 -0.072 0.000 1.260 377 I CB 1.136 39.109 38.000 -0.044 0.000 1.390 377 I HN 0.304 nan 8.210 nan 0.000 0.475 378 L N 6.717 127.882 121.223 -0.096 0.000 2.296 378 L HA 0.362 4.700 4.340 -0.004 0.000 0.286 378 L C 0.240 177.086 176.870 -0.040 0.000 1.023 378 L CA -0.399 54.349 54.840 -0.154 0.000 0.812 378 L CB 0.642 42.393 42.059 -0.513 0.000 1.223 378 L HN 0.462 nan 8.230 nan 0.000 0.421 379 N N 4.072 122.806 118.700 0.057 0.000 2.488 379 N HA 0.420 5.158 4.740 -0.004 0.000 0.274 379 N C -0.802 174.758 175.510 0.084 0.000 1.111 379 N CA -0.355 52.733 53.050 0.062 0.000 0.974 379 N CB 1.038 39.568 38.487 0.072 0.000 1.089 379 N HN 0.312 nan 8.380 nan 0.000 0.465 380 I N 3.005 123.591 120.570 0.026 0.000 2.378 380 I HA 0.368 4.535 4.170 -0.004 0.000 0.291 380 I C -2.121 174.011 176.117 0.026 0.000 0.992 380 I CA -2.859 58.439 61.300 -0.004 0.000 1.154 380 I CB 0.865 38.816 38.000 -0.081 0.000 1.315 380 I HN 0.278 nan 8.210 nan 0.000 0.448 381 P HA 0.067 nan 4.420 nan 0.000 0.269 381 P C 0.984 178.319 177.300 0.058 0.000 1.209 381 P CA -0.431 62.691 63.100 0.037 0.000 0.776 381 P CB 0.940 32.656 31.700 0.026 0.000 0.876 382 L N 2.968 124.224 121.223 0.054 0.000 2.127 382 L HA -0.222 4.116 4.340 -0.004 0.000 0.211 382 L C 1.412 178.336 176.870 0.090 0.000 1.089 382 L CA 2.160 57.039 54.840 0.066 0.000 0.757 382 L CB -1.127 40.968 42.059 0.060 0.000 0.899 382 L HN 0.434 nan 8.230 nan 0.000 0.434 383 N N -0.451 118.298 118.700 0.082 0.000 2.353 383 N HA 0.129 4.867 4.740 -0.004 0.000 0.185 383 N C 0.620 176.196 175.510 0.110 0.000 1.098 383 N CA 0.579 53.680 53.050 0.086 0.000 0.872 383 N CB -0.534 37.989 38.487 0.060 0.000 0.970 383 N HN 0.274 nan 8.380 nan 0.000 0.467 384 A N 0.212 123.115 122.820 0.138 0.000 2.477 384 A HA 0.193 4.511 4.320 -0.004 0.000 0.246 384 A C 0.807 178.584 177.584 0.322 0.000 1.078 384 A CA -0.190 51.956 52.037 0.181 0.000 0.770 384 A CB 0.457 19.521 19.000 0.108 0.000 1.011 384 A HN 0.237 nan 8.150 nan 0.000 0.494 385 Q N 0.388 120.351 119.800 0.272 0.000 2.280 385 Q HA 0.184 4.521 4.340 -0.004 0.000 0.244 385 Q C 0.224 176.417 176.000 0.321 0.000 0.847 385 Q CA 0.497 56.450 55.803 0.250 0.000 0.945 385 Q CB 0.897 29.708 28.738 0.123 0.000 1.115 385 Q HN 0.687 nan 8.270 nan 0.000 0.513 386 S N 0.250 116.119 115.700 0.282 0.000 2.570 386 S HA 0.644 5.112 4.470 -0.004 0.000 0.286 386 S C -1.723 172.913 174.600 0.060 0.000 1.099 386 S CA -0.538 57.786 58.200 0.207 0.000 0.913 386 S CB 1.059 64.314 63.200 0.091 0.000 1.085 386 S HN 0.108 nan 8.310 nan 0.000 0.480 387 L N 5.203 126.399 121.223 -0.045 0.000 2.529 387 L HA 0.594 4.932 4.340 -0.004 0.000 0.258 387 L C -2.819 173.941 176.870 -0.184 0.000 1.032 387 L CA -1.655 53.029 54.840 -0.260 0.000 0.899 387 L CB 1.444 43.061 42.059 -0.737 0.000 1.174 387 L HN 0.351 nan 8.230 nan 0.000 0.458 388 P HA 0.432 nan 4.420 nan 0.000 0.276 388 P C -0.839 176.439 177.300 -0.036 0.000 1.230 388 P CA 0.191 63.249 63.100 -0.070 0.000 0.776 388 P CB 0.966 32.646 31.700 -0.035 0.000 0.888 389 I N 1.949 122.461 120.570 -0.098 0.000 2.582 389 I HA 0.364 4.531 4.170 -0.004 0.000 0.292 389 I C -0.212 175.893 176.117 -0.020 0.000 1.066 389 I CA -0.318 60.941 61.300 -0.069 0.000 1.053 389 I CB 2.474 40.311 38.000 -0.270 0.000 1.241 389 I HN 0.126 nan 8.210 nan 0.000 0.421 390 T N 5.066 119.666 114.554 0.076 0.000 2.841 390 T HA 0.576 4.923 4.350 -0.004 0.000 0.285 390 T C -0.535 174.259 174.700 0.158 0.000 0.991 390 T CA -0.455 61.718 62.100 0.121 0.000 0.966 390 T CB 1.863 70.775 68.868 0.073 0.000 0.962 390 T HN 0.161 nan 8.240 nan 0.000 0.438 391 V N 4.406 124.461 119.914 0.235 0.000 2.715 391 V HA 0.762 4.879 4.120 -0.004 0.000 0.310 391 V C -0.109 176.023 176.094 0.065 0.000 1.054 391 V CA -1.065 61.331 62.300 0.161 0.000 0.928 391 V CB 2.023 33.982 31.823 0.227 0.000 1.007 391 V HN 0.927 nan 8.190 nan 0.000 0.437 392 R N 0.619 121.136 120.500 0.030 0.000 2.808 392 R HA 0.720 5.058 4.340 -0.004 0.000 0.272 392 R C -0.395 175.900 176.300 -0.009 0.000 0.995 392 R CA -0.658 55.442 56.100 -0.000 0.000 0.917 392 R CB 1.538 31.843 30.300 0.009 0.000 1.217 392 R HN 0.671 nan 8.270 nan 0.000 0.471 393 T N -0.617 113.928 114.554 -0.014 0.000 2.900 393 T HA 0.123 4.471 4.350 -0.004 0.000 0.307 393 T C 0.214 174.934 174.700 0.033 0.000 1.065 393 T CA -0.428 61.666 62.100 -0.010 0.000 1.105 393 T CB 0.623 69.496 68.868 0.009 0.000 0.979 393 T HN 0.724 nan 8.240 nan 0.000 0.544 394 N N -0.134 118.587 118.700 0.036 0.000 2.610 394 N HA 0.080 4.817 4.740 -0.004 0.000 0.307 394 N C -0.757 174.794 175.510 0.067 0.000 1.813 394 N CA -0.483 52.595 53.050 0.047 0.000 0.901 394 N CB -0.107 38.390 38.487 0.017 0.000 1.354 394 N HN 0.772 nan 8.380 nan 0.000 0.491 395 H N -0.376 118.722 119.070 0.046 0.000 2.886 395 H HA 0.140 4.693 4.556 -0.004 0.000 0.329 395 H C 1.311 176.680 175.328 0.069 0.000 1.044 395 H CA 1.189 57.282 56.048 0.076 0.000 1.456 395 H CB 1.086 30.957 29.762 0.182 0.000 1.464 395 H HN 0.513 nan 8.280 nan 0.000 0.573 396 G N 3.817 112.543 108.800 -0.123 0.000 2.470 396 G HA2 -0.211 3.746 3.960 -0.004 0.000 0.220 396 G HA3 -0.211 3.746 3.960 -0.004 0.000 0.220 396 G C 0.917 175.898 174.900 0.135 0.000 1.121 396 G CA 0.408 45.505 45.100 -0.006 0.000 0.766 396 G HN 0.606 nan 8.290 nan 0.000 0.553 397 D N -0.243 120.382 120.400 0.375 0.000 2.339 397 D HA 0.173 4.810 4.640 -0.004 0.000 0.217 397 D C 0.752 177.171 176.300 0.198 0.000 1.050 397 D CA 0.062 54.233 54.000 0.285 0.000 0.856 397 D CB 0.543 41.541 40.800 0.330 0.000 0.922 397 D HN 0.236 nan 8.370 nan 0.000 0.518 398 L N 2.070 123.419 121.223 0.210 0.000 2.325 398 L HA 0.387 4.724 4.340 -0.004 0.000 0.278 398 L C -2.060 174.849 176.870 0.065 0.000 1.023 398 L CA -1.871 53.034 54.840 0.109 0.000 0.811 398 L CB 1.690 43.819 42.059 0.117 0.000 1.249 398 L HN -0.252 nan 8.230 nan 0.000 0.431 399 P HA 0.148 nan 4.420 nan 0.000 0.272 399 P C 0.130 177.431 177.300 0.002 0.000 1.240 399 P CA -0.572 62.526 63.100 -0.003 0.000 0.791 399 P CB 0.896 32.572 31.700 -0.040 0.000 0.978 400 R N 0.976 121.476 120.500 0.000 0.000 2.127 400 R HA -0.123 4.215 4.340 -0.004 0.000 0.238 400 R C 1.744 178.040 176.300 -0.008 0.000 1.134 400 R CA 1.414 57.516 56.100 0.003 0.000 0.975 400 R CB -0.472 29.827 30.300 -0.001 0.000 0.865 400 R HN 0.562 nan 8.270 nan 0.000 0.447 401 E N 0.066 120.250 120.200 -0.027 0.000 2.268 401 E HA -0.118 4.229 4.350 -0.004 0.000 0.195 401 E C 1.587 178.159 176.600 -0.047 0.000 0.995 401 E CA 0.581 56.957 56.400 -0.040 0.000 0.836 401 E CB -0.037 29.629 29.700 -0.057 0.000 0.763 401 E HN 0.179 nan 8.360 nan 0.000 0.491 402 R N 0.702 121.173 120.500 -0.048 0.000 2.312 402 R HA 0.120 4.458 4.340 -0.004 0.000 0.205 402 R C 0.616 176.920 176.300 0.007 0.000 0.904 402 R CA 0.089 56.166 56.100 -0.038 0.000 1.052 402 R CB 0.166 30.423 30.300 -0.072 0.000 1.014 402 R HN 0.195 nan 8.270 nan 0.000 0.503 403 Q N 0.866 120.681 119.800 0.024 0.000 2.364 403 Q HA 0.236 4.573 4.340 -0.004 0.000 0.267 403 Q C -0.106 175.909 176.000 0.025 0.000 0.999 403 Q CA 0.074 55.911 55.803 0.057 0.000 0.886 403 Q CB 0.841 29.609 28.738 0.051 0.000 1.243 403 Q HN 0.065 nan 8.270 nan 0.000 0.415 404 A N 2.276 125.119 122.820 0.039 0.000 2.354 404 A HA 0.494 4.811 4.320 -0.004 0.000 0.269 404 A C 0.243 177.801 177.584 -0.042 0.000 1.109 404 A CA -0.035 51.989 52.037 -0.022 0.000 0.800 404 A CB 0.819 19.798 19.000 -0.034 0.000 1.045 404 A HN 0.642 nan 8.150 nan 0.000 0.489 405 T N 0.249 114.766 114.554 -0.062 0.000 2.865 405 T HA 0.703 5.051 4.350 -0.004 0.000 0.294 405 T C -1.172 173.487 174.700 -0.070 0.000 1.119 405 T CA -0.623 61.449 62.100 -0.048 0.000 1.007 405 T CB 1.273 70.133 68.868 -0.012 0.000 1.225 405 T HN 0.970 nan 8.240 nan 0.000 0.515 406 K N 0.943 121.334 120.400 -0.016 0.000 2.610 406 K HA 0.578 4.895 4.320 -0.004 0.000 0.267 406 K C -1.757 175.014 176.600 0.285 0.000 0.943 406 K CA -0.441 55.866 56.287 0.034 0.000 0.862 406 K CB 1.689 34.078 32.500 -0.185 0.000 1.376 406 K HN 0.598 nan 8.250 nan 0.000 0.412 407 S N 3.227 119.096 115.700 0.281 0.000 2.607 407 S HA 0.853 5.321 4.470 -0.004 0.000 0.303 407 S C -0.922 173.782 174.600 0.173 0.000 1.086 407 S CA -0.910 57.423 58.200 0.222 0.000 0.995 407 S CB 1.112 64.363 63.200 0.085 0.000 1.084 407 S HN 0.647 nan 8.310 nan 0.000 0.507 408 M N -0.269 119.272 119.600 -0.097 0.000 2.683 408 M HA 0.704 5.181 4.480 -0.004 0.000 0.274 408 M C -1.584 174.594 176.300 -0.204 0.000 1.272 408 M CA -0.629 54.555 55.300 -0.193 0.000 0.833 408 M CB 2.060 34.377 32.600 -0.472 0.000 1.708 408 M HN 0.347 nan 8.290 nan 0.000 0.463 409 T N 1.577 116.032 114.554 -0.165 0.000 2.847 409 T HA 0.761 5.109 4.350 -0.004 0.000 0.291 409 T C -0.506 174.094 174.700 -0.166 0.000 0.998 409 T CA -0.564 61.447 62.100 -0.147 0.000 0.967 409 T CB 1.406 70.229 68.868 -0.076 0.000 0.954 409 T HN 0.816 nan 8.240 nan 0.000 0.441 410 A N 4.042 126.743 122.820 -0.199 0.000 2.302 410 A HA 0.812 5.129 4.320 -0.004 0.000 0.285 410 A C -0.278 177.369 177.584 0.106 0.000 1.105 410 A CA -0.585 51.369 52.037 -0.138 0.000 0.816 410 A CB 0.302 19.156 19.000 -0.243 0.000 1.067 410 A HN 0.695 nan 8.150 nan 0.000 0.489 411 I N 0.605 121.228 120.570 0.088 0.000 2.646 411 I HA 0.481 4.649 4.170 -0.004 0.000 0.299 411 I C 0.728 176.807 176.117 -0.064 0.000 1.036 411 I CA -0.634 60.746 61.300 0.134 0.000 1.074 411 I CB 1.271 39.339 38.000 0.113 0.000 1.258 411 I HN 0.740 nan 8.210 nan 0.000 0.430 412 A N 5.052 127.655 122.820 -0.363 0.000 2.450 412 A HA 0.117 4.434 4.320 -0.004 0.000 0.255 412 A C -0.514 176.985 177.584 -0.141 0.000 1.096 412 A CA -0.069 51.537 52.037 -0.720 0.000 0.778 412 A CB -0.292 18.383 19.000 -0.542 0.000 1.031 412 A HN 0.610 nan 8.150 nan 0.000 0.494 413 Y N 2.706 122.903 120.300 -0.173 0.000 2.721 413 Y HA 0.060 4.607 4.550 -0.004 0.000 0.329 413 Y C 0.398 176.304 175.900 0.010 0.000 1.211 413 Y CA 0.577 58.660 58.100 -0.028 0.000 1.512 413 Y CB 0.480 38.991 38.460 0.084 0.000 1.249 413 Y HN 0.618 nan 8.280 nan 0.000 0.549 414 Q N 5.537 125.084 119.800 -0.422 0.000 2.294 414 Q HA 0.149 4.487 4.340 -0.004 0.000 0.257 414 Q C 0.141 175.849 176.000 -0.487 0.000 0.955 414 Q CA -0.219 55.392 55.803 -0.320 0.000 0.936 414 Q CB 0.916 29.503 28.738 -0.251 0.000 1.188 414 Q HN 0.826 nan 8.270 nan 0.000 0.420 415 T N -0.440 113.960 114.554 -0.257 0.000 2.899 415 T HA 0.145 4.492 4.350 -0.004 0.000 0.295 415 T C 0.354 174.948 174.700 -0.177 0.000 1.033 415 T CA -0.738 61.226 62.100 -0.227 0.000 1.084 415 T CB 1.054 69.750 68.868 -0.288 0.000 0.979 415 T HN 0.490 nan 8.240 nan 0.000 0.532 416 Q N 0.766 120.488 119.800 -0.130 0.000 2.271 416 Q HA 0.349 4.687 4.340 -0.004 0.000 0.273 416 Q C 1.450 177.404 176.000 -0.076 0.000 1.051 416 Q CA 0.904 56.647 55.803 -0.101 0.000 0.901 416 Q CB -0.381 28.313 28.738 -0.073 0.000 1.174 416 Q HN 1.254 nan 8.270 nan 0.000 0.385 417 G N 3.175 111.933 108.800 -0.069 0.000 2.180 417 G HA2 -0.326 3.632 3.960 -0.004 0.000 0.263 417 G HA3 -0.326 3.632 3.960 -0.004 0.000 0.263 417 G C 0.703 175.578 174.900 -0.042 0.000 0.989 417 G CA 0.392 45.463 45.100 -0.048 0.000 0.692 417 G HN 1.658 nan 8.290 nan 0.000 0.526 418 G N -1.237 107.530 108.800 -0.055 0.000 2.136 418 G HA2 -0.013 3.944 3.960 -0.004 0.000 0.242 418 G HA3 -0.013 3.944 3.960 -0.004 0.000 0.242 418 G C 1.594 176.474 174.900 -0.033 0.000 0.989 418 G CA 1.604 46.681 45.100 -0.039 0.000 0.682 418 G HN 2.271 nan 8.290 nan 0.000 0.522 419 S N -0.430 115.241 115.700 -0.049 0.000 2.440 419 S HA 0.252 4.719 4.470 -0.004 0.000 0.238 419 S C 2.526 177.108 174.600 -0.029 0.000 1.010 419 S CA 1.606 59.787 58.200 -0.031 0.000 0.972 419 S CB -0.383 62.799 63.200 -0.031 0.000 0.774 419 S HN 2.425 nan 8.310 nan 0.000 0.501 420 G N 1.356 110.105 108.800 -0.085 0.000 2.153 420 G HA2 -0.241 3.717 3.960 -0.004 0.000 0.252 420 G HA3 -0.241 3.717 3.960 -0.004 0.000 0.252 420 G C -0.262 174.551 174.900 -0.146 0.000 0.994 420 G CA 0.144 45.202 45.100 -0.071 0.000 0.698 420 G HN 0.582 nan 8.290 nan 0.000 0.521 421 N N -0.069 118.504 118.700 -0.212 0.000 2.455 421 N HA 0.650 5.388 4.740 -0.004 0.000 0.280 421 N C -0.597 174.789 175.510 -0.207 0.000 1.055 421 N CA 0.116 53.139 53.050 -0.045 0.000 0.961 421 N CB 0.961 39.516 38.487 0.114 0.000 1.121 421 N HN 0.286 nan 8.380 nan 0.000 0.476 422 Y N 0.302 120.741 120.300 0.233 0.000 2.576 422 Y HA 0.578 5.126 4.550 -0.004 0.000 0.346 422 Y C -0.417 175.622 175.900 0.231 0.000 1.018 422 Y CA -1.118 57.055 58.100 0.121 0.000 1.050 422 Y CB 1.752 40.258 38.460 0.075 0.000 1.280 422 Y HN 0.277 nan 8.280 nan 0.000 0.474 423 L N 1.745 123.127 121.223 0.265 0.000 2.408 423 L HA 0.602 4.939 4.340 -0.004 0.000 0.268 423 L C -1.826 175.169 176.870 0.208 0.000 0.986 423 L CA -0.457 54.578 54.840 0.324 0.000 0.820 423 L CB 1.689 43.942 42.059 0.323 0.000 1.303 423 L HN 0.762 nan 8.230 nan 0.000 0.411 424 H N 3.259 122.380 119.070 0.085 0.000 2.840 424 H HA 0.670 5.224 4.556 -0.004 0.000 0.340 424 H C -1.694 173.594 175.328 -0.066 0.000 1.004 424 H CA -0.547 55.501 56.048 0.000 0.000 1.288 424 H CB 1.672 31.431 29.762 -0.005 0.000 1.607 424 H HN 0.427 nan 8.280 nan 0.000 0.522 425 V N 4.408 123.978 119.914 -0.573 0.000 2.407 425 V HA 0.671 4.789 4.120 -0.004 0.000 0.278 425 V C 0.153 175.740 176.094 -0.844 0.000 1.037 425 V CA -0.113 61.801 62.300 -0.643 0.000 0.900 425 V CB 0.905 32.458 31.823 -0.450 0.000 0.983 425 V HN 0.970 nan 8.190 nan 0.000 0.459 426 A N 7.071 129.486 122.820 -0.675 0.000 2.318 426 A HA 0.839 5.157 4.320 -0.004 0.000 0.317 426 A C -0.735 176.609 177.584 -0.401 0.000 1.159 426 A CA -0.527 51.221 52.037 -0.482 0.000 0.799 426 A CB 0.744 19.581 19.000 -0.273 0.000 1.194 426 A HN 0.650 nan 8.150 nan 0.000 0.479 427 I N 3.694 124.064 120.570 -0.333 0.000 2.382 427 I HA 0.226 4.393 4.170 -0.004 0.000 0.286 427 I C 1.305 177.301 176.117 -0.203 0.000 1.002 427 I CA -0.178 60.948 61.300 -0.290 0.000 1.135 427 I CB 1.132 38.950 38.000 -0.303 0.000 1.288 427 I HN 0.807 nan 8.210 nan 0.000 0.448 428 T N 0.708 115.162 114.554 -0.167 0.000 3.067 428 T HA 0.090 4.438 4.350 -0.004 0.000 0.257 428 T C 0.945 175.579 174.700 -0.112 0.000 1.105 428 T CA 0.067 62.094 62.100 -0.122 0.000 1.104 428 T CB 0.121 68.930 68.868 -0.097 0.000 0.925 428 T HN 0.382 nan 8.240 nan 0.000 0.498 429 S N 2.429 118.055 115.700 -0.123 0.000 2.585 429 S HA 0.488 4.955 4.470 -0.004 0.000 0.273 429 S C 0.479 175.011 174.600 -0.114 0.000 1.339 429 S CA -0.410 57.726 58.200 -0.107 0.000 1.028 429 S CB 0.936 64.073 63.200 -0.105 0.000 0.906 429 S HN 0.821 nan 8.310 nan 0.000 0.528 430 T N -1.061 113.436 114.554 -0.095 0.000 2.916 430 T HA 0.546 4.894 4.350 -0.004 0.000 0.292 430 T C -0.746 173.898 174.700 -0.092 0.000 1.064 430 T CA -1.077 60.966 62.100 -0.095 0.000 1.011 430 T CB 0.844 69.669 68.868 -0.071 0.000 1.152 430 T HN 0.624 nan 8.240 nan 0.000 0.510 431 E N 0.416 120.557 120.200 -0.099 0.000 2.183 431 E HA -0.174 4.174 4.350 -0.004 0.000 0.196 431 E C -0.476 176.061 176.600 -0.105 0.000 1.364 431 E CA 0.070 56.413 56.400 -0.096 0.000 0.700 431 E CB -1.566 28.093 29.700 -0.068 0.000 1.106 431 E HN 0.599 nan 8.360 nan 0.000 0.347 432 I N 1.247 121.737 120.570 -0.134 0.000 2.588 432 I HA 0.036 4.204 4.170 -0.004 0.000 0.283 432 I C 0.810 176.850 176.117 -0.128 0.000 1.119 432 I CA 0.747 61.971 61.300 -0.127 0.000 1.419 432 I CB 0.445 38.363 38.000 -0.138 0.000 1.394 432 I HN 0.066 nan 8.210 nan 0.000 0.562 433 K N 6.428 126.760 120.400 -0.114 0.000 2.426 433 K HA 0.498 4.815 4.320 -0.004 0.000 0.251 433 K C -2.668 173.853 176.600 -0.132 0.000 0.941 433 K CA -2.030 54.187 56.287 -0.117 0.000 0.808 433 K CB 1.428 33.873 32.500 -0.091 0.000 1.265 433 K HN 0.148 nan 8.250 nan 0.000 0.432 434 P HA -0.096 nan 4.420 nan 0.000 0.263 434 P C 0.656 177.866 177.300 -0.150 0.000 1.175 434 P CA 1.223 64.225 63.100 -0.162 0.000 0.761 434 P CB 0.408 32.032 31.700 -0.126 0.000 0.794 435 G N 1.677 110.335 108.800 -0.237 0.000 2.254 435 G HA2 -0.182 3.775 3.960 -0.004 0.000 0.225 435 G HA3 -0.182 3.775 3.960 -0.004 0.000 0.225 435 G C 0.058 174.866 174.900 -0.152 0.000 1.003 435 G CA -0.270 44.739 45.100 -0.152 0.000 0.622 435 G HN 0.506 nan 8.290 nan 0.000 0.507 436 D N 1.186 121.473 120.400 -0.187 0.000 2.368 436 D HA 0.408 5.046 4.640 -0.004 0.000 0.240 436 D C 0.228 176.471 176.300 -0.096 0.000 1.169 436 D CA 0.107 54.041 54.000 -0.109 0.000 0.906 436 D CB 0.367 41.106 40.800 -0.102 0.000 1.187 436 D HN 0.220 nan 8.370 nan 0.000 0.435 437 N N 1.417 120.114 118.700 -0.004 0.000 2.479 437 N HA 0.250 4.988 4.740 -0.004 0.000 0.261 437 N C -1.083 174.419 175.510 -0.014 0.000 0.979 437 N CA -0.557 52.516 53.050 0.039 0.000 0.930 437 N CB 1.542 40.080 38.487 0.086 0.000 1.172 437 N HN 0.195 nan 8.380 nan 0.000 0.499 438 L N 4.882 126.086 121.223 -0.033 0.000 2.265 438 L HA 0.535 4.873 4.340 -0.004 0.000 0.289 438 L C -2.476 174.338 176.870 -0.093 0.000 1.033 438 L CA -1.795 53.005 54.840 -0.068 0.000 0.814 438 L CB 1.208 43.229 42.059 -0.064 0.000 1.203 438 L HN 0.276 nan 8.230 nan 0.000 0.423 439 P HA 0.141 nan 4.420 nan 0.000 0.271 439 P C -1.151 176.015 177.300 -0.223 0.000 1.233 439 P CA -0.034 62.989 63.100 -0.128 0.000 0.764 439 P CB 0.874 32.513 31.700 -0.102 0.000 0.825 440 V N 4.956 124.693 119.914 -0.294 0.000 2.384 440 V HA 0.305 4.423 4.120 -0.004 0.000 0.287 440 V C 0.124 175.930 176.094 -0.480 0.000 1.020 440 V CA -0.566 61.418 62.300 -0.526 0.000 0.850 440 V CB 1.297 32.601 31.823 -0.865 0.000 0.987 440 V HN 0.407 nan 8.190 nan 0.000 0.436 441 N N 3.834 122.242 118.700 -0.487 0.000 2.419 441 N HA 0.527 5.264 4.740 -0.004 0.000 0.277 441 N C -0.951 174.263 175.510 -0.493 0.000 1.006 441 N CA -0.242 52.605 53.050 -0.340 0.000 0.923 441 N CB 1.120 39.478 38.487 -0.216 0.000 1.140 441 N HN 0.467 nan 8.380 nan 0.000 0.488 442 F N 1.378 121.136 119.950 -0.319 0.000 2.405 442 F HA 0.374 4.899 4.527 -0.004 0.000 0.355 442 F C 0.682 176.319 175.800 -0.272 0.000 1.121 442 F CA -0.593 57.130 58.000 -0.462 0.000 1.112 442 F CB 0.848 39.242 39.000 -1.009 0.000 1.126 442 F HN 0.161 nan 8.300 nan 0.000 0.481 443 N N 3.250 121.955 118.700 0.008 0.000 2.314 443 N HA 0.530 5.268 4.740 -0.004 0.000 0.294 443 N C -1.209 174.423 175.510 0.205 0.000 1.029 443 N CA -0.519 52.596 53.050 0.108 0.000 0.845 443 N CB 2.865 41.423 38.487 0.117 0.000 1.321 443 N HN 0.382 nan 8.380 nan 0.000 0.481 444 V N -0.758 119.288 119.914 0.219 0.000 2.769 444 V HA 0.713 4.830 4.120 -0.004 0.000 0.312 444 V C -0.256 175.965 176.094 0.212 0.000 1.058 444 V CA -0.674 61.783 62.300 0.262 0.000 0.952 444 V CB 1.997 33.922 31.823 0.170 0.000 1.019 444 V HN 0.649 nan 8.190 nan 0.000 0.445 445 K N 1.343 121.907 120.400 0.275 0.000 2.525 445 K HA 0.771 5.088 4.320 -0.004 0.000 0.254 445 K C -0.323 176.459 176.600 0.304 0.000 0.934 445 K CA 0.281 56.718 56.287 0.250 0.000 0.802 445 K CB 2.040 34.678 32.500 0.230 0.000 1.295 445 K HN 1.655 nan 8.250 nan 0.000 0.433 446 G N 1.766 110.696 108.800 0.217 0.000 2.350 446 G HA2 -0.061 3.897 3.960 -0.004 0.000 0.276 446 G HA3 -0.061 3.897 3.960 -0.004 0.000 0.276 446 G C -1.564 173.404 174.900 0.114 0.000 1.313 446 G CA -1.015 44.195 45.100 0.184 0.000 0.903 446 G HN 0.639 nan 8.290 nan 0.000 0.490 447 N N 0.897 119.650 118.700 0.088 0.000 2.412 447 N HA 0.238 4.976 4.740 -0.004 0.000 0.258 447 N C 1.727 177.262 175.510 0.042 0.000 1.236 447 N CA 0.681 53.766 53.050 0.059 0.000 0.882 447 N CB 1.253 39.768 38.487 0.046 0.000 1.066 447 N HN 0.886 nan 8.380 nan 0.000 0.465 448 A N 4.693 127.533 122.820 0.033 0.000 1.883 448 A HA -0.236 4.082 4.320 -0.004 0.000 0.217 448 A C 1.888 179.475 177.584 0.005 0.000 1.186 448 A CA 1.842 53.891 52.037 0.019 0.000 0.624 448 A CB -0.577 18.434 19.000 0.018 0.000 0.822 448 A HN 0.886 nan 8.150 nan 0.000 0.444 449 N N -0.413 118.291 118.700 0.007 0.000 2.188 449 N HA -0.070 4.667 4.740 -0.004 0.000 0.184 449 N C 1.958 177.463 175.510 -0.008 0.000 1.018 449 N CA 1.340 54.389 53.050 -0.002 0.000 0.858 449 N CB -0.103 38.385 38.487 0.002 0.000 0.989 449 N HN 0.414 nan 8.380 nan 0.000 0.426 450 S N 0.502 116.205 115.700 0.005 0.000 2.348 450 S HA -0.024 4.443 4.470 -0.004 0.000 0.221 450 S C 1.852 176.436 174.600 -0.027 0.000 1.033 450 S CA 0.815 59.020 58.200 0.009 0.000 1.010 450 S CB -0.302 62.927 63.200 0.048 0.000 0.891 450 S HN 0.246 nan 8.310 nan 0.000 0.442 451 L N 1.878 123.081 121.223 -0.033 0.000 2.083 451 L HA -0.157 4.180 4.340 -0.004 0.000 0.209 451 L C 2.528 179.326 176.870 -0.121 0.000 1.083 451 L CA 1.428 56.209 54.840 -0.097 0.000 0.752 451 L CB -0.733 41.295 42.059 -0.051 0.000 0.899 451 L HN 0.464 nan 8.230 nan 0.000 0.433 452 K N 0.278 120.633 120.400 -0.075 0.000 2.280 452 K HA -0.207 4.111 4.320 -0.004 0.000 0.202 452 K C 1.714 178.253 176.600 -0.100 0.000 1.047 452 K CA 1.229 57.470 56.287 -0.076 0.000 0.942 452 K CB -0.236 32.237 32.500 -0.045 0.000 0.739 452 K HN 0.411 nan 8.250 nan 0.000 0.457 453 Q N 0.726 120.464 119.800 -0.105 0.000 2.436 453 Q HA 0.083 4.420 4.340 -0.004 0.000 0.209 453 Q C 0.224 176.104 176.000 -0.200 0.000 0.965 453 Q CA 0.373 56.104 55.803 -0.120 0.000 0.910 453 Q CB -0.086 28.602 28.738 -0.084 0.000 0.980 453 Q HN 0.407 nan 8.270 nan 0.000 0.491 454 I N 1.634 122.040 120.570 -0.273 0.000 2.436 454 I HA -0.029 4.138 4.170 -0.004 0.000 0.289 454 I C 0.720 176.577 176.117 -0.433 0.000 1.083 454 I CA 0.305 61.342 61.300 -0.440 0.000 1.372 454 I CB 0.847 38.466 38.000 -0.635 0.000 1.408 454 I HN 0.011 nan 8.210 nan 0.000 0.516 455 K N 5.864 125.955 120.400 -0.515 0.000 2.367 455 K HA 0.168 4.485 4.320 -0.004 0.000 0.195 455 K C -0.818 175.613 176.600 -0.282 0.000 1.060 455 K CA 0.286 56.368 56.287 -0.342 0.000 1.022 455 K CB 0.505 32.883 32.500 -0.203 0.000 0.894 455 K HN 0.639 nan 8.250 nan 0.000 0.540 456 Y N -2.287 117.785 120.300 -0.380 0.000 2.662 456 Y HA 0.493 5.040 4.550 -0.004 0.000 0.334 456 Y C -1.472 174.079 175.900 -0.583 0.000 1.185 456 Y CA -2.439 55.428 58.100 -0.389 0.000 1.074 456 Y CB 0.297 38.660 38.460 -0.161 0.000 1.330 456 Y HN -0.273 nan 8.280 nan 0.000 0.458 457 F N 0.630 120.613 119.950 0.054 0.000 2.450 457 F HA 0.701 5.225 4.527 -0.004 0.000 0.332 457 F C 0.257 176.091 175.800 0.057 0.000 1.093 457 F CA -0.819 57.175 58.000 -0.009 0.000 1.003 457 F CB 2.311 41.107 39.000 -0.341 0.000 1.151 457 F HN 0.501 nan 8.300 nan 0.000 0.474 458 T N 2.807 117.421 114.554 0.100 0.000 2.837 458 T HA 0.442 4.789 4.350 -0.004 0.000 0.285 458 T C -1.154 173.625 174.700 0.131 0.000 0.984 458 T CA -0.376 61.702 62.100 -0.037 0.000 1.049 458 T CB 0.455 69.143 68.868 -0.300 0.000 0.947 458 T HN 0.480 nan 8.240 nan 0.000 0.472 459 Y N 1.298 121.635 120.300 0.062 0.000 2.512 459 Y HA 0.809 5.356 4.550 -0.004 0.000 0.348 459 Y C -1.967 173.859 175.900 -0.125 0.000 0.990 459 Y CA -1.873 56.198 58.100 -0.047 0.000 1.033 459 Y CB 0.845 39.254 38.460 -0.084 0.000 1.259 459 Y HN 0.341 nan 8.280 nan 0.000 0.461 460 L N 4.885 126.071 121.223 -0.061 0.000 2.385 460 L HA 0.489 4.827 4.340 -0.004 0.000 0.273 460 L C -0.939 175.929 176.870 -0.004 0.000 0.990 460 L CA -0.776 54.050 54.840 -0.022 0.000 0.821 460 L CB 1.919 44.023 42.059 0.075 0.000 1.279 460 L HN 0.556 nan 8.230 nan 0.000 0.412 461 I N 4.404 125.039 120.570 0.108 0.000 2.304 461 I HA 0.347 4.515 4.170 -0.004 0.000 0.291 461 I C -0.215 176.053 176.117 0.252 0.000 1.018 461 I CA -0.325 61.097 61.300 0.203 0.000 1.260 461 I CB 0.795 38.944 38.000 0.248 0.000 1.390 461 I HN 0.434 nan 8.210 nan 0.000 0.475 462 L N 6.830 128.209 121.223 0.261 0.000 2.307 462 L HA 0.523 4.860 4.340 -0.004 0.000 0.284 462 L C 0.132 177.146 176.870 0.240 0.000 1.023 462 L CA -0.353 54.636 54.840 0.248 0.000 0.810 462 L CB 1.601 43.801 42.059 0.234 0.000 1.231 462 L HN 0.619 nan 8.230 nan 0.000 0.423 463 N N 3.147 121.967 118.700 0.200 0.000 2.287 463 N HA 0.176 4.914 4.740 -0.004 0.000 0.289 463 N C -0.860 174.744 175.510 0.158 0.000 1.066 463 N CA -0.554 52.572 53.050 0.126 0.000 0.841 463 N CB 1.855 40.312 38.487 -0.049 0.000 1.599 463 N HN 0.569 nan 8.380 nan 0.000 0.476 464 K N 2.142 122.630 120.400 0.147 0.000 3.177 464 K HA -0.239 4.079 4.320 -0.004 0.000 0.266 464 K C 0.761 177.498 176.600 0.228 0.000 0.937 464 K CA 0.871 57.271 56.287 0.188 0.000 0.702 464 K CB -1.729 30.918 32.500 0.244 0.000 1.365 464 K HN 1.009 nan 8.250 nan 0.000 0.466 465 G N -0.632 108.291 108.800 0.204 0.000 2.179 465 G HA2 -0.348 3.610 3.960 -0.004 0.000 0.260 465 G HA3 -0.348 3.610 3.960 -0.004 0.000 0.260 465 G C -0.009 175.115 174.900 0.374 0.000 0.977 465 G CA 0.853 46.152 45.100 0.331 0.000 0.641 465 G HN 0.378 nan 8.290 nan 0.000 0.533 466 K N -0.406 120.158 120.400 0.273 0.000 2.295 466 K HA 0.691 5.008 4.320 -0.004 0.000 0.239 466 K C 0.073 176.803 176.600 0.217 0.000 0.991 466 K CA -1.118 55.305 56.287 0.226 0.000 0.845 466 K CB 1.786 34.410 32.500 0.206 0.000 1.197 466 K HN 0.128 nan 8.250 nan 0.000 0.441 467 I N 2.695 123.368 120.570 0.171 0.000 2.379 467 I HA 0.020 4.187 4.170 -0.004 0.000 0.290 467 I C 0.667 176.886 176.117 0.168 0.000 1.063 467 I CA 0.058 61.453 61.300 0.158 0.000 1.351 467 I CB 0.199 38.258 38.000 0.098 0.000 1.410 467 I HN 0.650 nan 8.210 nan 0.000 0.505 468 F N 7.366 127.347 119.950 0.051 0.000 2.437 468 F HA 0.297 4.821 4.527 -0.004 0.000 0.288 468 F C 0.707 176.515 175.800 0.013 0.000 1.085 468 F CA 0.463 58.483 58.000 0.033 0.000 1.430 468 F CB 0.367 39.382 39.000 0.026 0.000 1.120 468 F HN 0.298 nan 8.300 nan 0.000 0.556 469 K N 0.658 120.989 120.400 -0.114 0.000 2.562 469 K HA 0.559 4.877 4.320 -0.004 0.000 0.267 469 K C -2.126 174.416 176.600 -0.097 0.000 0.938 469 K CA -0.748 55.407 56.287 -0.220 0.000 0.840 469 K CB 2.438 34.800 32.500 -0.230 0.000 1.390 469 K HN -0.163 nan 8.250 nan 0.000 0.428 470 V N 1.482 121.284 119.914 -0.186 0.000 2.823 470 V HA 0.847 4.965 4.120 -0.004 0.000 0.312 470 V C 0.081 175.878 176.094 -0.495 0.000 1.072 470 V CA -0.391 61.732 62.300 -0.295 0.000 0.937 470 V CB 1.808 33.519 31.823 -0.186 0.000 1.013 470 V HN 0.966 nan 8.190 nan 0.000 0.430 471 G N 2.838 111.027 108.800 -1.019 0.000 2.687 471 G HA2 0.695 4.653 3.960 -0.004 0.000 0.291 471 G HA3 0.695 4.653 3.960 -0.004 0.000 0.291 471 G C -1.759 172.713 174.900 -0.714 0.000 1.420 471 G CA -0.803 43.737 45.100 -0.932 0.000 0.796 471 G HN 0.397 nan 8.290 nan 0.000 0.485 472 R N 0.140 120.518 120.500 -0.202 0.000 2.534 472 R HA 0.487 4.825 4.340 -0.004 0.000 0.301 472 R C -1.282 175.138 176.300 0.200 0.000 0.961 472 R CA -0.831 55.252 56.100 -0.027 0.000 0.871 472 R CB 2.074 32.279 30.300 -0.159 0.000 1.170 472 R HN 0.536 nan 8.270 nan 0.000 0.446 473 Q N 3.760 123.701 119.800 0.234 0.000 2.357 473 Q HA 0.398 4.735 4.340 -0.004 0.000 0.266 473 Q C -2.548 173.526 176.000 0.123 0.000 1.021 473 Q CA -2.211 53.689 55.803 0.161 0.000 0.784 473 Q CB 1.680 30.394 28.738 -0.040 0.000 1.243 473 Q HN 0.196 nan 8.270 nan 0.000 0.465 474 P HA 0.144 nan 4.420 nan 0.000 0.269 474 P C -1.211 176.124 177.300 0.058 0.000 1.215 474 P CA -0.115 63.033 63.100 0.080 0.000 0.780 474 P CB 0.519 32.257 31.700 0.063 0.000 0.898 475 R N 2.535 123.028 120.500 -0.013 0.000 2.507 475 R HA 0.307 4.644 4.340 -0.004 0.000 0.298 475 R C -0.647 175.629 176.300 -0.039 0.000 1.087 475 R CA -0.645 55.442 56.100 -0.022 0.000 0.917 475 R CB 0.817 31.023 30.300 -0.155 0.000 1.173 475 R HN 0.434 nan 8.270 nan 0.000 0.472 476 R N 2.181 122.681 120.500 0.000 0.000 2.491 476 R HA 0.020 4.357 4.340 -0.004 0.000 0.283 476 R C -0.169 176.120 176.300 -0.017 0.000 1.072 476 R CA -0.242 55.854 56.100 -0.007 0.000 1.048 476 R CB 0.453 30.759 30.300 0.010 0.000 0.983 476 R HN 0.500 nan 8.270 nan 0.000 0.450 477 D N 0.746 121.128 120.400 -0.030 0.000 2.423 477 D HA 0.123 4.760 4.640 -0.004 0.000 0.238 477 D C 1.253 177.546 176.300 -0.013 0.000 1.142 477 D CA 1.840 55.820 54.000 -0.034 0.000 0.884 477 D CB 0.844 41.621 40.800 -0.038 0.000 1.199 477 D HN 0.623 nan 8.370 nan 0.000 0.438 478 G N 2.333 111.127 108.800 -0.009 0.000 2.279 478 G HA2 -0.253 3.705 3.960 -0.004 0.000 0.223 478 G HA3 -0.253 3.705 3.960 -0.004 0.000 0.223 478 G C 0.054 174.964 174.900 0.017 0.000 1.015 478 G CA 0.071 45.173 45.100 0.004 0.000 0.621 478 G HN 0.568 nan 8.290 nan 0.000 0.506 479 Q N 1.128 120.942 119.800 0.023 0.000 2.389 479 Q HA 0.412 4.749 4.340 -0.004 0.000 0.244 479 Q C 0.440 176.481 176.000 0.069 0.000 1.056 479 Q CA -0.510 55.322 55.803 0.048 0.000 0.908 479 Q CB 0.549 29.325 28.738 0.064 0.000 1.273 479 Q HN 0.283 nan 8.270 nan 0.000 0.471 480 N N 1.508 120.248 118.700 0.066 0.000 2.412 480 N HA 0.080 4.817 4.740 -0.004 0.000 0.184 480 N C -0.533 175.040 175.510 0.105 0.000 1.101 480 N CA 0.430 53.532 53.050 0.086 0.000 0.881 480 N CB 0.529 39.058 38.487 0.070 0.000 0.969 480 N HN 0.444 nan 8.380 nan 0.000 0.459 481 L N 0.618 121.896 121.223 0.091 0.000 2.381 481 L HA 0.500 4.838 4.340 -0.004 0.000 0.274 481 L C -1.442 175.487 176.870 0.099 0.000 0.988 481 L CA -0.598 54.292 54.840 0.082 0.000 0.824 481 L CB 1.784 43.873 42.059 0.050 0.000 1.263 481 L HN -0.319 nan 8.230 nan 0.000 0.410 482 V N 3.158 123.147 119.914 0.125 0.000 2.638 482 V HA 0.558 4.675 4.120 -0.004 0.000 0.306 482 V C -0.288 175.912 176.094 0.177 0.000 1.052 482 V CA -0.388 62.006 62.300 0.157 0.000 0.885 482 V CB 2.354 34.312 31.823 0.225 0.000 0.999 482 V HN 0.770 nan 8.190 nan 0.000 0.424 483 T N 5.997 120.627 114.554 0.127 0.000 2.856 483 T HA 0.693 5.041 4.350 -0.004 0.000 0.283 483 T C -0.568 174.193 174.700 0.101 0.000 1.008 483 T CA -0.365 61.782 62.100 0.079 0.000 0.997 483 T CB 1.529 70.407 68.868 0.016 0.000 0.992 483 T HN 0.653 nan 8.240 nan 0.000 0.454 484 M N 2.972 122.612 119.600 0.066 0.000 2.501 484 M HA 0.539 5.017 4.480 -0.004 0.000 0.293 484 M C -1.435 174.859 176.300 -0.010 0.000 1.192 484 M CA -0.825 54.518 55.300 0.071 0.000 0.886 484 M CB 2.031 34.729 32.600 0.163 0.000 1.710 484 M HN 0.571 nan 8.290 nan 0.000 0.457 485 N N 3.068 121.776 118.700 0.014 0.000 2.455 485 N HA 0.536 5.274 4.740 -0.004 0.000 0.280 485 N C -1.888 173.634 175.510 0.020 0.000 1.055 485 N CA -0.492 52.560 53.050 0.004 0.000 0.961 485 N CB 1.180 39.682 38.487 0.024 0.000 1.121 485 N HN 0.605 nan 8.380 nan 0.000 0.476 486 L N 3.500 124.724 121.223 0.002 0.000 2.325 486 L HA 0.390 4.728 4.340 -0.004 0.000 0.281 486 L C -1.079 175.823 176.870 0.054 0.000 1.004 486 L CA -0.779 54.078 54.840 0.029 0.000 0.823 486 L CB 0.732 42.787 42.059 -0.008 0.000 1.236 486 L HN 0.727 nan 8.230 nan 0.000 0.415 487 H N 5.410 124.476 119.070 -0.007 0.000 2.668 487 H HA 0.445 4.998 4.556 -0.004 0.000 0.303 487 H C -0.541 174.763 175.328 -0.041 0.000 1.074 487 H CA -0.495 55.544 56.048 -0.015 0.000 1.406 487 H CB 0.562 30.326 29.762 0.004 0.000 1.442 487 H HN 0.484 nan 8.280 nan 0.000 0.482 488 I N 5.908 126.193 120.570 -0.476 0.000 2.352 488 I HA 0.116 4.283 4.170 -0.004 0.000 0.290 488 I C 0.804 176.664 176.117 -0.429 0.000 1.036 488 I CA -0.172 60.900 61.300 -0.380 0.000 1.336 488 I CB 0.289 38.136 38.000 -0.256 0.000 1.407 488 I HN 0.693 nan 8.210 nan 0.000 0.497 489 T N 3.655 118.054 114.554 -0.258 0.000 2.942 489 T HA 0.484 4.832 4.350 -0.004 0.000 0.289 489 T C -2.090 172.511 174.700 -0.165 0.000 1.044 489 T CA -1.942 60.069 62.100 -0.149 0.000 1.023 489 T CB 1.927 70.790 68.868 -0.008 0.000 1.123 489 T HN 0.226 nan 8.240 nan 0.000 0.512 490 P HA -0.009 nan 4.420 nan 0.000 0.223 490 P C 0.397 177.614 177.300 -0.138 0.000 1.144 490 P CA 0.875 63.913 63.100 -0.104 0.000 0.783 490 P CB -0.187 31.494 31.700 -0.032 0.000 0.771 491 D N -1.019 119.282 120.400 -0.165 0.000 2.309 491 D HA -0.085 4.553 4.640 -0.004 0.000 0.212 491 D C 1.380 177.420 176.300 -0.432 0.000 0.968 491 D CA 0.789 54.631 54.000 -0.263 0.000 0.882 491 D CB -0.446 40.139 40.800 -0.358 0.000 0.918 491 D HN 0.233 nan 8.370 nan 0.000 0.503 492 L N 0.237 121.208 121.223 -0.420 0.000 2.607 492 L HA 0.225 4.563 4.340 -0.004 0.000 0.228 492 L C 0.514 177.230 176.870 -0.257 0.000 1.123 492 L CA -0.266 54.346 54.840 -0.379 0.000 0.890 492 L CB -0.026 41.766 42.059 -0.446 0.000 1.103 492 L HN -0.006 nan 8.230 nan 0.000 0.468 493 I N 2.398 122.765 120.570 -0.338 0.000 2.752 493 I HA -0.020 4.148 4.170 -0.004 0.000 0.287 493 I C -1.105 174.643 176.117 -0.615 0.000 1.188 493 I CA -0.861 60.110 61.300 -0.548 0.000 1.427 493 I CB 0.619 38.211 38.000 -0.680 0.000 1.365 493 I HN -0.092 nan 8.210 nan 0.000 0.585 494 P HA 0.040 nan 4.420 nan 0.000 0.251 494 P C -0.310 176.766 177.300 -0.374 0.000 1.223 494 P CA 0.405 63.101 63.100 -0.675 0.000 0.796 494 P CB 0.387 31.787 31.700 -0.499 0.000 1.068 495 S N -0.793 114.745 115.700 -0.270 0.000 2.627 495 S HA 0.666 5.134 4.470 -0.004 0.000 0.268 495 S C -1.337 173.186 174.600 -0.127 0.000 1.130 495 S CA -0.909 57.088 58.200 -0.338 0.000 0.819 495 S CB 0.611 63.564 63.200 -0.412 0.000 1.100 495 S HN 0.075 nan 8.310 nan 0.000 0.465 496 F N -1.083 118.639 119.950 -0.380 0.000 2.662 496 F HA 0.836 5.361 4.527 -0.004 0.000 0.312 496 F C -0.891 174.832 175.800 -0.128 0.000 1.113 496 F CA -1.247 56.642 58.000 -0.184 0.000 0.951 496 F CB 1.280 40.192 39.000 -0.147 0.000 1.344 496 F HN 0.712 nan 8.300 nan 0.000 0.462 497 R N 1.338 121.977 120.500 0.231 0.000 2.460 497 R HA 0.474 4.811 4.340 -0.004 0.000 0.303 497 R C -2.013 174.513 176.300 0.377 0.000 0.968 497 R CA -0.763 55.458 56.100 0.202 0.000 0.889 497 R CB 2.264 32.701 30.300 0.229 0.000 1.123 497 R HN 0.794 nan 8.270 nan 0.000 0.455 498 F N 3.522 123.565 119.950 0.156 0.000 2.332 498 F HA 0.305 4.830 4.527 -0.004 0.000 0.368 498 F C -0.721 175.147 175.800 0.113 0.000 1.110 498 F CA -0.665 57.447 58.000 0.188 0.000 1.087 498 F CB 0.979 40.042 39.000 0.104 0.000 1.235 498 F HN 0.077 nan 8.300 nan 0.000 0.470 499 V N 5.469 125.374 119.914 -0.015 0.000 2.483 499 V HA 0.886 5.004 4.120 -0.004 0.000 0.295 499 V C -0.239 175.882 176.094 0.045 0.000 1.035 499 V CA -0.548 61.774 62.300 0.035 0.000 0.896 499 V CB 1.236 33.070 31.823 0.018 0.000 0.986 499 V HN 0.897 nan 8.190 nan 0.000 0.447 500 A N 4.400 127.339 122.820 0.198 0.000 2.572 500 A HA 0.981 5.298 4.320 -0.004 0.000 0.295 500 A C -1.495 176.350 177.584 0.434 0.000 1.072 500 A CA -0.585 51.681 52.037 0.383 0.000 0.691 500 A CB 1.988 21.371 19.000 0.639 0.000 1.291 500 A HN 1.400 nan 8.150 nan 0.000 0.404 501 Y N -0.975 119.556 120.300 0.385 0.000 2.609 501 Y HA 0.772 5.320 4.550 -0.004 0.000 0.336 501 Y C -1.226 174.925 175.900 0.419 0.000 1.129 501 Y CA -1.514 56.776 58.100 0.318 0.000 1.040 501 Y CB 0.751 39.371 38.460 0.268 0.000 1.310 501 Y HN 1.138 nan 8.280 nan 0.000 0.460 502 Y N 0.509 121.044 120.300 0.392 0.000 2.598 502 Y HA 0.838 5.385 4.550 -0.004 0.000 0.340 502 Y C -1.192 174.821 175.900 0.188 0.000 1.038 502 Y CA -1.274 56.892 58.100 0.110 0.000 1.100 502 Y CB 1.647 40.064 38.460 -0.071 0.000 1.281 502 Y HN 0.731 nan 8.280 nan 0.000 0.488 503 Q N 0.411 120.311 119.800 0.166 0.000 2.377 503 Q HA 0.766 5.103 4.340 -0.004 0.000 0.271 503 Q C -2.122 173.908 176.000 0.049 0.000 1.077 503 Q CA -1.024 54.801 55.803 0.036 0.000 0.820 503 Q CB 2.323 30.951 28.738 -0.184 0.000 1.347 503 Q HN 0.640 nan 8.270 nan 0.000 0.444 504 V N 1.844 121.787 119.914 0.047 0.000 2.540 504 V HA 0.681 4.799 4.120 -0.004 0.000 0.302 504 V C 0.824 176.913 176.094 -0.009 0.000 1.035 504 V CA -0.002 62.318 62.300 0.033 0.000 0.873 504 V CB 1.368 33.247 31.823 0.094 0.000 0.992 504 V HN 1.124 nan 8.190 nan 0.000 0.428 505 G N 4.572 113.357 108.800 -0.025 0.000 2.283 505 G HA2 -0.296 3.662 3.960 -0.004 0.000 0.280 505 G HA3 -0.296 3.662 3.960 -0.004 0.000 0.280 505 G C 0.469 175.353 174.900 -0.026 0.000 1.029 505 G CA 0.474 45.561 45.100 -0.023 0.000 0.840 505 G HN 1.005 nan 8.290 nan 0.000 0.505 506 N N -1.594 117.084 118.700 -0.036 0.000 2.693 506 N HA -0.223 4.514 4.740 -0.004 0.000 0.249 506 N C 0.866 176.354 175.510 -0.036 0.000 1.119 506 N CA 1.916 54.944 53.050 -0.038 0.000 0.717 506 N CB -1.166 37.300 38.487 -0.035 0.000 1.071 506 N HN 0.932 nan 8.380 nan 0.000 0.555 507 N N -0.225 118.453 118.700 -0.036 0.000 2.209 507 N HA 0.004 4.742 4.740 -0.004 0.000 0.249 507 N C -0.363 175.124 175.510 -0.038 0.000 1.146 507 N CA 0.249 53.280 53.050 -0.031 0.000 0.800 507 N CB 0.666 39.139 38.487 -0.022 0.000 1.521 507 N HN 0.358 nan 8.380 nan 0.000 0.498 508 E N 0.958 121.137 120.200 -0.034 0.000 2.166 508 E HA 0.377 4.725 4.350 -0.004 0.000 0.275 508 E C -0.975 175.595 176.600 -0.049 0.000 0.941 508 E CA -0.535 55.843 56.400 -0.037 0.000 0.784 508 E CB 0.996 30.685 29.700 -0.018 0.000 1.115 508 E HN 0.220 nan 8.360 nan 0.000 0.399 509 I N 4.447 124.978 120.570 -0.065 0.000 2.404 509 I HA 0.302 4.470 4.170 -0.004 0.000 0.293 509 I C -0.880 175.197 176.117 -0.066 0.000 0.992 509 I CA -1.070 60.189 61.300 -0.068 0.000 1.149 509 I CB 1.934 39.855 38.000 -0.133 0.000 1.315 509 I HN 0.341 nan 8.210 nan 0.000 0.446 510 V N 5.545 125.352 119.914 -0.177 0.000 2.444 510 V HA 0.766 4.884 4.120 -0.004 0.000 0.294 510 V C -0.092 175.947 176.094 -0.093 0.000 1.022 510 V CA -0.455 61.699 62.300 -0.243 0.000 0.850 510 V CB 1.463 32.807 31.823 -0.798 0.000 0.992 510 V HN 0.830 nan 8.190 nan 0.000 0.426 511 A N 3.438 126.286 122.820 0.047 0.000 2.454 511 A HA 0.932 5.249 4.320 -0.004 0.000 0.302 511 A C -1.289 176.272 177.584 -0.038 0.000 1.079 511 A CA -0.457 51.618 52.037 0.063 0.000 0.731 511 A CB 2.122 21.113 19.000 -0.015 0.000 1.299 511 A HN 0.764 nan 8.150 nan 0.000 0.413 512 D N -0.828 119.576 120.400 0.006 0.000 2.583 512 D HA 0.726 5.363 4.640 -0.004 0.000 0.248 512 D C -0.723 175.594 176.300 0.028 0.000 1.209 512 D CA 0.524 54.524 54.000 0.000 0.000 0.848 512 D CB 2.146 42.959 40.800 0.021 0.000 1.431 512 D HN 0.914 nan 8.370 nan 0.000 0.436 513 S N -0.257 115.472 115.700 0.048 0.000 2.570 513 S HA 0.790 5.257 4.470 -0.004 0.000 0.270 513 S C -1.654 172.997 174.600 0.086 0.000 1.149 513 S CA -0.716 57.535 58.200 0.086 0.000 0.837 513 S CB 1.322 64.561 63.200 0.065 0.000 1.124 513 S HN 0.324 nan 8.310 nan 0.000 0.465 514 V N 1.186 121.158 119.914 0.096 0.000 2.789 514 V HA 0.618 4.735 4.120 -0.004 0.000 0.311 514 V C -1.288 174.847 176.094 0.068 0.000 1.073 514 V CA -0.697 61.629 62.300 0.043 0.000 0.921 514 V CB 1.897 33.668 31.823 -0.088 0.000 1.009 514 V HN 1.018 nan 8.190 nan 0.000 0.426 515 W N 4.369 125.595 121.300 -0.123 0.000 2.361 515 W HA 0.710 5.367 4.660 -0.004 0.000 0.309 515 W C -1.069 175.262 176.519 -0.313 0.000 1.122 515 W CA -0.485 56.748 57.345 -0.188 0.000 1.208 515 W CB 1.401 30.789 29.460 -0.121 0.000 1.246 515 W HN 0.374 nan 8.180 nan 0.000 0.490 516 V N 7.034 126.245 119.914 -1.171 0.000 2.407 516 V HA 0.120 4.237 4.120 -0.004 0.000 0.291 516 V C -0.212 174.972 176.094 -1.517 0.000 1.018 516 V CA -0.816 60.731 62.300 -1.256 0.000 0.842 516 V CB 1.132 32.105 31.823 -1.416 0.000 0.996 516 V HN 0.485 nan 8.190 nan 0.000 0.426 517 D N 3.368 122.968 120.400 -1.335 0.000 2.345 517 D HA 0.422 5.059 4.640 -0.004 0.000 0.247 517 D C -0.503 175.457 176.300 -0.566 0.000 1.108 517 D CA 0.274 53.663 54.000 -1.018 0.000 0.894 517 D CB 1.816 42.208 40.800 -0.679 0.000 1.203 517 D HN 0.271 nan 8.370 nan 0.000 0.430 518 V N 3.611 123.269 119.914 -0.427 0.000 2.769 518 V HA 0.241 4.358 4.120 -0.004 0.000 0.312 518 V C 0.401 176.329 176.094 -0.276 0.000 1.061 518 V CA -1.109 61.016 62.300 -0.292 0.000 0.931 518 V CB 1.945 33.627 31.823 -0.235 0.000 1.010 518 V HN 0.481 nan 8.190 nan 0.000 0.433 519 K N 2.391 122.661 120.400 -0.217 0.000 2.453 519 K HA 0.009 4.326 4.320 -0.004 0.000 0.280 519 K C -0.611 175.845 176.600 -0.239 0.000 1.045 519 K CA -0.134 56.043 56.287 -0.183 0.000 1.059 519 K CB 0.173 32.595 32.500 -0.130 0.000 0.901 519 K HN 0.619 nan 8.250 nan 0.000 0.475 520 D N 3.280 123.539 120.400 -0.235 0.000 2.338 520 D HA 0.062 4.699 4.640 -0.004 0.000 0.255 520 D C 0.287 176.522 176.300 -0.107 0.000 1.237 520 D CA 0.379 54.181 54.000 -0.331 0.000 0.883 520 D CB 1.077 41.758 40.800 -0.199 0.000 1.087 520 D HN 0.608 nan 8.370 nan 0.000 0.485 521 T N -1.334 113.174 114.554 -0.076 0.000 2.804 521 T HA 0.397 4.744 4.350 -0.004 0.000 0.290 521 T C 0.116 175.006 174.700 0.316 0.000 1.099 521 T CA -0.801 61.363 62.100 0.107 0.000 1.011 521 T CB 0.400 69.281 68.868 0.022 0.000 1.291 521 T HN 0.342 nan 8.240 nan 0.000 0.523 522 C N 1.535 120.975 119.300 0.233 0.000 2.665 522 C HA 0.148 4.606 4.460 -0.004 0.000 0.416 522 C C 2.461 177.561 174.990 0.183 0.000 1.305 522 C CA -0.276 58.872 59.018 0.216 0.000 1.903 522 C CB -1.056 26.728 27.740 0.074 0.000 2.704 522 C HN 0.870 nan 8.230 nan 0.000 0.629 523 M N 1.708 121.441 119.600 0.223 0.000 2.254 523 M HA 0.016 4.493 4.480 -0.004 0.000 0.265 523 M C 1.523 177.867 176.300 0.073 0.000 1.066 523 M CA 1.663 57.040 55.300 0.128 0.000 1.123 523 M CB -0.357 32.339 32.600 0.161 0.000 1.388 523 M HN 0.991 nan 8.290 nan 0.000 0.425 524 G N -0.800 108.041 108.800 0.068 0.000 3.134 524 G HA2 0.460 4.418 3.960 -0.004 0.000 0.158 524 G HA3 0.460 4.418 3.960 -0.004 0.000 0.158 524 G C -0.816 174.103 174.900 0.032 0.000 1.334 524 G CA -0.255 44.872 45.100 0.044 0.000 1.001 524 G HN 0.190 nan 8.290 nan 0.000 0.600 525 T N -0.034 114.533 114.554 0.021 0.000 2.952 525 T HA 0.548 4.895 4.350 -0.004 0.000 0.305 525 T C -1.699 173.004 174.700 0.005 0.000 1.064 525 T CA -0.163 61.945 62.100 0.014 0.000 1.008 525 T CB 1.920 70.797 68.868 0.015 0.000 1.078 525 T HN 0.561 nan 8.240 nan 0.000 0.459 526 L N 3.595 124.817 121.223 -0.002 0.000 2.639 526 L HA 0.723 5.061 4.340 -0.004 0.000 0.264 526 L C -1.814 175.052 176.870 -0.006 0.000 0.948 526 L CA -0.391 54.444 54.840 -0.007 0.000 0.912 526 L CB 1.532 43.578 42.059 -0.023 0.000 1.294 526 L HN 0.551 nan 8.230 nan 0.000 0.412 527 V N 4.813 124.727 119.914 0.000 0.000 2.709 527 V HA 0.612 4.730 4.120 -0.004 0.000 0.308 527 V C -0.619 175.479 176.094 0.005 0.000 1.062 527 V CA -0.848 61.453 62.300 0.002 0.000 0.901 527 V CB 2.173 33.999 31.823 0.005 0.000 1.003 527 V HN 0.395 nan 8.190 nan 0.000 0.425 528 V N 4.339 124.257 119.914 0.007 0.000 2.328 528 V HA 0.437 4.555 4.120 -0.004 0.000 0.278 528 V C -0.006 176.095 176.094 0.012 0.000 1.021 528 V CA -0.648 61.659 62.300 0.011 0.000 0.838 528 V CB 1.132 32.963 31.823 0.013 0.000 0.999 528 V HN 0.836 nan 8.190 nan 0.000 0.447 529 K N 3.167 123.574 120.400 0.012 0.000 2.221 529 K HA 0.796 5.114 4.320 -0.004 0.000 0.258 529 K C 0.293 176.901 176.600 0.013 0.000 0.944 529 K CA -0.315 55.979 56.287 0.012 0.000 0.823 529 K CB 2.306 34.813 32.500 0.011 0.000 1.113 529 K HN 0.830 nan 8.250 nan 0.000 0.431 530 G N 0.315 109.123 108.800 0.014 0.000 3.022 530 G HA2 0.137 4.095 3.960 -0.004 0.000 0.284 530 G HA3 0.137 4.095 3.960 -0.004 0.000 0.284 530 G C -0.397 174.511 174.900 0.013 0.000 1.375 530 G CA -0.612 44.496 45.100 0.014 0.000 0.902 530 G HN 0.645 nan 8.290 nan 0.000 0.538 531 D N -2.017 118.391 120.400 0.013 0.000 2.333 531 D HA 0.005 4.643 4.640 -0.004 0.000 0.208 531 D C 0.815 177.123 176.300 0.014 0.000 0.984 531 D CA 0.290 54.297 54.000 0.013 0.000 0.873 531 D CB -0.262 40.545 40.800 0.011 0.000 0.935 531 D HN 0.572 nan 8.370 nan 0.000 0.521 532 N N -1.261 117.449 118.700 0.016 0.000 2.909 532 N HA -0.151 4.586 4.740 -0.004 0.000 0.242 532 N C -0.674 174.847 175.510 0.020 0.000 0.975 532 N CA 0.449 53.510 53.050 0.019 0.000 0.921 532 N CB -1.379 37.118 38.487 0.018 0.000 1.112 532 N HN 0.277 nan 8.380 nan 0.000 0.581 533 L N 1.212 122.445 121.223 0.018 0.000 2.436 533 L HA 0.360 4.698 4.340 -0.004 0.000 0.265 533 L C 1.066 177.948 176.870 0.021 0.000 1.168 533 L CA -0.538 54.313 54.840 0.018 0.000 0.815 533 L CB 0.509 42.577 42.059 0.014 0.000 1.109 533 L HN 0.070 nan 8.230 nan 0.000 0.462 534 I N 2.173 122.756 120.570 0.023 0.000 2.648 534 I HA 0.010 4.178 4.170 -0.004 0.000 0.284 534 I C 0.247 176.376 176.117 0.020 0.000 1.153 534 I CA -0.029 61.287 61.300 0.027 0.000 1.426 534 I CB 0.450 38.468 38.000 0.030 0.000 1.381 534 I HN 0.576 nan 8.210 nan 0.000 0.571 535 Q N 5.886 125.698 119.800 0.021 0.000 2.306 535 Q HA 0.590 4.928 4.340 -0.004 0.000 0.269 535 Q C -0.595 175.409 176.000 0.006 0.000 1.053 535 Q CA -0.883 54.928 55.803 0.013 0.000 0.879 535 Q CB 2.433 31.179 28.738 0.014 0.000 1.344 535 Q HN 0.510 nan 8.270 nan 0.000 0.464 536 M N 1.283 120.882 119.600 -0.000 0.000 2.409 536 M HA 0.416 4.894 4.480 -0.004 0.000 0.329 536 M C -2.145 174.151 176.300 -0.007 0.000 1.180 536 M CA -1.844 53.451 55.300 -0.008 0.000 1.053 536 M CB 0.184 32.777 32.600 -0.012 0.000 1.586 536 M HN 0.160 nan 8.290 nan 0.000 0.461 537 P HA 0.130 nan 4.420 nan 0.000 0.266 537 P C 0.789 178.084 177.300 -0.007 0.000 1.195 537 P CA 0.758 63.853 63.100 -0.009 0.000 0.768 537 P CB 0.312 32.003 31.700 -0.016 0.000 0.838 538 G N 1.109 109.907 108.800 -0.004 0.000 2.162 538 G HA2 -0.169 3.788 3.960 -0.004 0.000 0.260 538 G HA3 -0.169 3.788 3.960 -0.004 0.000 0.260 538 G C 0.472 175.371 174.900 -0.002 0.000 0.976 538 G CA 0.024 45.121 45.100 -0.004 0.000 0.655 538 G HN 0.875 nan 8.290 nan 0.000 0.533 539 A N 0.013 122.832 122.820 -0.000 0.000 2.445 539 A HA 0.762 5.079 4.320 -0.004 0.000 0.242 539 A C 1.031 178.616 177.584 0.002 0.000 1.075 539 A CA 0.889 52.926 52.037 0.001 0.000 0.777 539 A CB 0.446 19.447 19.000 0.003 0.000 1.013 539 A HN 2.096 nan 8.150 nan 0.000 0.493 540 A N 3.411 126.232 122.820 0.002 0.000 2.451 540 A HA 0.540 4.858 4.320 -0.004 0.000 0.266 540 A C 0.285 177.872 177.584 0.005 0.000 1.119 540 A CA 0.047 52.086 52.037 0.003 0.000 0.786 540 A CB -0.259 18.742 19.000 0.003 0.000 1.061 540 A HN 0.748 nan 8.150 nan 0.000 0.503 541 M N 1.969 121.573 119.600 0.006 0.000 2.578 541 M HA 0.485 4.962 4.480 -0.004 0.000 0.321 541 M C -0.175 176.130 176.300 0.008 0.000 1.182 541 M CA -0.158 55.147 55.300 0.008 0.000 0.965 541 M CB 1.690 34.296 32.600 0.010 0.000 1.694 541 M HN 0.618 nan 8.290 nan 0.000 0.461 542 K N 2.727 123.133 120.400 0.009 0.000 2.443 542 K HA 0.757 5.075 4.320 -0.004 0.000 0.252 542 K C -1.129 175.477 176.600 0.011 0.000 0.933 542 K CA -0.555 55.738 56.287 0.010 0.000 0.792 542 K CB 2.720 35.225 32.500 0.009 0.000 1.185 542 K HN 0.771 nan 8.250 nan 0.000 0.425 543 I N -1.167 119.411 120.570 0.012 0.000 2.934 543 I HA 0.536 4.703 4.170 -0.004 0.000 0.306 543 I C -1.156 174.968 176.117 0.012 0.000 1.110 543 I CA -1.155 60.153 61.300 0.013 0.000 1.019 543 I CB 2.179 40.188 38.000 0.015 0.000 1.227 543 I HN 0.300 nan 8.210 nan 0.000 0.434 544 K N 4.908 125.315 120.400 0.012 0.000 2.206 544 K HA 0.620 4.937 4.320 -0.004 0.000 0.264 544 K C -1.283 175.325 176.600 0.013 0.000 0.967 544 K CA -0.589 55.705 56.287 0.012 0.000 0.844 544 K CB 2.299 34.806 32.500 0.011 0.000 1.099 544 K HN 0.514 nan 8.250 nan 0.000 0.441 545 L N 3.369 124.600 121.223 0.013 0.000 2.257 545 L HA 0.318 4.656 4.340 -0.004 0.000 0.290 545 L C -0.105 176.773 176.870 0.013 0.000 1.044 545 L CA -0.427 54.422 54.840 0.013 0.000 0.810 545 L CB 0.678 42.747 42.059 0.016 0.000 1.193 545 L HN 0.505 nan 8.230 nan 0.000 0.425 546 E N 2.737 122.944 120.200 0.011 0.000 2.158 546 E HA 0.726 5.074 4.350 -0.004 0.000 0.271 546 E C -0.053 176.554 176.600 0.011 0.000 0.911 546 E CA -0.525 55.882 56.400 0.011 0.000 0.767 546 E CB 2.530 32.236 29.700 0.011 0.000 1.120 546 E HN 0.778 nan 8.360 nan 0.000 0.405 547 G N 2.336 111.144 108.800 0.013 0.000 2.570 547 G HA2 0.133 4.091 3.960 -0.004 0.000 0.310 547 G HA3 0.133 4.091 3.960 -0.004 0.000 0.310 547 G C -1.344 173.567 174.900 0.018 0.000 1.266 547 G CA -0.759 44.350 45.100 0.014 0.000 0.825 547 G HN 0.408 nan 8.290 nan 0.000 0.483 548 D N 1.200 121.613 120.400 0.021 0.000 2.341 548 D HA 0.367 5.005 4.640 -0.004 0.000 0.245 548 D C -2.127 174.189 176.300 0.026 0.000 1.106 548 D CA -0.560 53.455 54.000 0.026 0.000 0.905 548 D CB 1.261 42.080 40.800 0.031 0.000 1.202 548 D HN -0.052 nan 8.370 nan 0.000 0.426 549 P HA 0.096 nan 4.420 nan 0.000 0.262 549 P C 0.841 178.157 177.300 0.027 0.000 1.182 549 P CA 0.354 63.468 63.100 0.024 0.000 0.761 549 P CB 0.446 32.161 31.700 0.024 0.000 0.795 550 G N 1.847 110.662 108.800 0.025 0.000 2.162 550 G HA2 -0.186 3.771 3.960 -0.004 0.000 0.260 550 G HA3 -0.186 3.771 3.960 -0.004 0.000 0.260 550 G C 0.463 175.381 174.900 0.030 0.000 0.976 550 G CA -0.029 45.086 45.100 0.025 0.000 0.655 550 G HN 0.875 nan 8.290 nan 0.000 0.533 551 A N -0.029 122.810 122.820 0.033 0.000 2.511 551 A HA 0.597 4.914 4.320 -0.004 0.000 0.242 551 A C 0.774 178.385 177.584 0.046 0.000 1.069 551 A CA 0.761 52.822 52.037 0.040 0.000 0.763 551 A CB 0.222 19.242 19.000 0.034 0.000 1.001 551 A HN 0.800 nan 8.150 nan 0.000 0.498 552 R N 2.410 122.948 120.500 0.064 0.000 2.229 552 R HA 0.503 4.841 4.340 -0.004 0.000 0.328 552 R C -1.559 174.807 176.300 0.111 0.000 1.009 552 R CA -0.312 55.836 56.100 0.080 0.000 0.864 552 R CB 0.747 31.098 30.300 0.086 0.000 1.085 552 R HN 0.466 nan 8.270 nan 0.000 0.453 553 V N 4.219 124.188 119.914 0.092 0.000 2.334 553 V HA 0.416 4.534 4.120 -0.004 0.000 0.281 553 V C 0.631 176.796 176.094 0.118 0.000 1.016 553 V CA -0.841 61.514 62.300 0.092 0.000 0.832 553 V CB 1.485 33.340 31.823 0.053 0.000 0.999 553 V HN 0.933 nan 8.190 nan 0.000 0.439 554 G N 5.095 114.008 108.800 0.188 0.000 2.353 554 G HA2 0.619 4.577 3.960 -0.004 0.000 0.284 554 G HA3 0.619 4.577 3.960 -0.004 0.000 0.284 554 G C -0.702 174.273 174.900 0.125 0.000 1.172 554 G CA -0.288 44.925 45.100 0.188 0.000 0.854 554 G HN 0.569 nan 8.290 nan 0.000 0.485 555 L N 1.373 122.647 121.223 0.085 0.000 2.303 555 L HA 0.849 5.187 4.340 -0.004 0.000 0.266 555 L C -0.298 176.606 176.870 0.058 0.000 1.011 555 L CA -1.202 53.675 54.840 0.062 0.000 0.818 555 L CB 2.363 44.448 42.059 0.043 0.000 1.326 555 L HN 0.387 nan 8.230 nan 0.000 0.435 556 V N 0.245 120.190 119.914 0.052 0.000 3.108 556 V HA 0.756 4.874 4.120 -0.004 0.000 0.287 556 V C -1.583 174.535 176.094 0.039 0.000 1.436 556 V CA -0.317 62.011 62.300 0.046 0.000 1.001 556 V CB 2.213 34.073 31.823 0.061 0.000 1.141 556 V HN 0.830 nan 8.190 nan 0.000 0.443 557 A N 5.171 128.006 122.820 0.024 0.000 2.318 557 A HA 0.887 5.205 4.320 -0.004 0.000 0.317 557 A C -1.151 176.428 177.584 -0.009 0.000 1.159 557 A CA -0.490 51.556 52.037 0.014 0.000 0.799 557 A CB 1.582 20.588 19.000 0.010 0.000 1.194 557 A HN 1.179 nan 8.150 nan 0.000 0.479 558 V N 2.394 122.290 119.914 -0.029 0.000 2.604 558 V HA 0.278 4.395 4.120 -0.004 0.000 0.305 558 V C -0.196 175.802 176.094 -0.160 0.000 1.043 558 V CA -0.907 61.323 62.300 -0.116 0.000 0.888 558 V CB 1.833 33.542 31.823 -0.190 0.000 0.995 558 V HN 0.938 nan 8.190 nan 0.000 0.429 559 D N 3.104 123.406 120.400 -0.163 0.000 2.450 559 D HA -0.002 4.635 4.640 -0.004 0.000 0.247 559 D C 1.065 177.214 176.300 -0.252 0.000 1.162 559 D CA 0.331 54.247 54.000 -0.140 0.000 0.879 559 D CB 1.007 41.753 40.800 -0.090 0.000 1.163 559 D HN 0.625 nan 8.370 nan 0.000 0.472 560 K N 3.047 123.353 120.400 -0.157 0.000 2.281 560 K HA -0.189 4.129 4.320 -0.004 0.000 0.203 560 K C 1.621 178.135 176.600 -0.144 0.000 1.046 560 K CA 1.093 57.297 56.287 -0.140 0.000 0.938 560 K CB 0.042 32.548 32.500 0.010 0.000 0.737 560 K HN 0.496 nan 8.250 nan 0.000 0.458 561 A N 0.510 123.263 122.820 -0.111 0.000 1.972 561 A HA -0.113 4.205 4.320 -0.004 0.000 0.219 561 A C 2.128 179.634 177.584 -0.130 0.000 1.169 561 A CA 1.384 53.369 52.037 -0.086 0.000 0.635 561 A CB -0.449 18.529 19.000 -0.035 0.000 0.810 561 A HN 0.155 nan 8.150 nan 0.000 0.446 562 V N -1.107 118.675 119.914 -0.220 0.000 2.332 562 V HA -0.300 3.818 4.120 -0.004 0.000 0.248 562 V C 2.368 178.355 176.094 -0.178 0.000 1.055 562 V CA 2.023 64.174 62.300 -0.249 0.000 1.038 562 V CB -1.111 30.506 31.823 -0.343 0.000 0.651 562 V HN 0.673 nan 8.190 nan 0.000 0.450 563 Y N -0.251 120.000 120.300 -0.082 0.000 2.333 563 Y HA -0.120 4.427 4.550 -0.004 0.000 0.290 563 Y C 2.454 178.288 175.900 -0.109 0.000 1.144 563 Y CA 0.474 58.521 58.100 -0.088 0.000 1.228 563 Y CB -1.293 37.131 38.460 -0.059 0.000 0.985 563 Y HN 0.069 nan 8.280 nan 0.000 0.542 564 V N -0.099 119.826 119.914 0.018 0.000 2.392 564 V HA -0.288 3.829 4.120 -0.004 0.000 0.249 564 V C 2.220 178.253 176.094 -0.102 0.000 1.059 564 V CA 1.702 63.964 62.300 -0.063 0.000 1.051 564 V CB -0.652 31.097 31.823 -0.124 0.000 0.658 564 V HN 0.364 nan 8.190 nan 0.000 0.455 565 L N -0.789 120.357 121.223 -0.129 0.000 2.162 565 L HA 0.149 4.487 4.340 -0.004 0.000 0.205 565 L C 0.994 177.769 176.870 -0.158 0.000 1.086 565 L CA 0.805 55.538 54.840 -0.179 0.000 0.778 565 L CB 0.037 41.908 42.059 -0.314 0.000 0.928 565 L HN 0.402 nan 8.230 nan 0.000 0.446 566 N N -0.200 118.430 118.700 -0.116 0.000 2.493 566 N HA 0.058 4.796 4.740 -0.004 0.000 0.279 566 N C -1.687 173.800 175.510 -0.038 0.000 1.082 566 N CA -0.098 52.881 53.050 -0.119 0.000 0.963 566 N CB 1.853 40.264 38.487 -0.126 0.000 1.627 566 N HN 0.049 nan 8.380 nan 0.000 0.499 567 D N 1.958 122.280 120.400 -0.129 0.000 2.594 567 D HA 0.165 4.802 4.640 -0.004 0.000 0.256 567 D C 0.210 176.394 176.300 -0.194 0.000 1.393 567 D CA -0.047 53.875 54.000 -0.131 0.000 0.797 567 D CB 0.181 40.895 40.800 -0.144 0.000 1.110 567 D HN 0.439 nan 8.370 nan 0.000 0.495 568 K N -0.401 119.799 120.400 -0.333 0.000 2.314 568 K HA 0.061 4.378 4.320 -0.004 0.000 0.198 568 K C 0.242 176.768 176.600 -0.124 0.000 1.045 568 K CA 0.610 56.687 56.287 -0.350 0.000 0.988 568 K CB 0.293 32.420 32.500 -0.622 0.000 0.783 568 K HN 0.100 nan 8.250 nan 0.000 0.484 569 Y N 0.999 121.345 120.300 0.077 0.000 2.481 569 Y HA 0.206 4.754 4.550 -0.003 0.000 0.247 569 Y C 0.379 176.368 175.900 0.147 0.000 1.151 569 Y CA -0.969 57.220 58.100 0.147 0.000 1.238 569 Y CB -0.066 38.525 38.460 0.218 0.000 1.179 569 Y HN -0.166 nan 8.280 nan 0.000 0.524 570 K N 1.699 122.218 120.400 0.198 0.000 2.436 570 K HA 0.098 4.416 4.320 -0.004 0.000 0.275 570 K C 0.175 176.848 176.600 0.122 0.000 0.999 570 K CA -0.212 56.154 56.287 0.132 0.000 0.980 570 K CB 0.429 32.921 32.500 -0.014 0.000 0.919 570 K HN 0.232 nan 8.250 nan 0.000 0.484 571 I N 3.044 123.685 120.570 0.118 0.000 2.754 571 I HA -0.046 4.121 4.170 -0.004 0.000 0.285 571 I C -0.325 175.768 176.117 -0.039 0.000 1.166 571 I CA 0.789 62.123 61.300 0.057 0.000 1.417 571 I CB 0.590 38.613 38.000 0.039 0.000 1.382 571 I HN 0.921 nan 8.210 nan 0.000 0.588 572 S N 4.431 120.068 115.700 -0.105 0.000 2.588 572 S HA 0.227 4.695 4.470 -0.004 0.000 0.269 572 S C -0.037 174.414 174.600 -0.248 0.000 1.157 572 S CA -0.773 57.342 58.200 -0.141 0.000 0.824 572 S CB 1.603 64.755 63.200 -0.080 0.000 1.126 572 S HN 0.642 nan 8.310 nan 0.000 0.464 573 Q N 1.062 120.720 119.800 -0.237 0.000 2.119 573 Q HA 0.177 4.514 4.340 -0.004 0.000 0.201 573 Q C 2.173 177.988 176.000 -0.308 0.000 0.972 573 Q CA 2.449 58.040 55.803 -0.354 0.000 0.847 573 Q CB -0.838 27.792 28.738 -0.181 0.000 0.903 573 Q HN 0.938 nan 8.270 nan 0.000 0.433 574 A N 0.125 122.892 122.820 -0.088 0.000 1.969 574 A HA -0.179 4.139 4.320 -0.004 0.000 0.218 574 A C 1.924 179.505 177.584 -0.005 0.000 1.169 574 A CA 1.547 53.602 52.037 0.029 0.000 0.635 574 A CB -0.340 18.690 19.000 0.050 0.000 0.810 574 A HN 0.325 nan 8.150 nan 0.000 0.445 575 K N -0.401 119.963 120.400 -0.059 0.000 2.097 575 K HA 0.016 4.333 4.320 -0.004 0.000 0.205 575 K C 1.738 178.299 176.600 -0.066 0.000 1.050 575 K CA 1.228 57.517 56.287 0.002 0.000 0.938 575 K CB -0.283 32.250 32.500 0.054 0.000 0.718 575 K HN 0.527 nan 8.250 nan 0.000 0.442 576 I N -0.457 119.870 120.570 -0.405 0.000 2.113 576 I HA -0.296 3.872 4.170 -0.004 0.000 0.238 576 I C 1.992 177.867 176.117 -0.403 0.000 1.070 576 I CA 1.652 62.476 61.300 -0.792 0.000 1.332 576 I CB -0.348 36.836 38.000 -1.360 0.000 1.044 576 I HN 0.337 nan 8.210 nan 0.000 0.402 577 W N 1.064 122.280 121.300 -0.140 0.000 2.358 577 W HA -0.245 4.412 4.660 -0.004 0.000 0.303 577 W C 2.316 178.809 176.519 -0.042 0.000 1.208 577 W CA 0.898 58.187 57.345 -0.094 0.000 1.274 577 W CB -0.472 28.940 29.460 -0.079 0.000 1.138 577 W HN 0.230 nan 8.180 nan 0.000 0.515 578 D N -0.280 120.237 120.400 0.194 0.000 2.117 578 D HA -0.177 4.461 4.640 -0.004 0.000 0.197 578 D C 1.931 178.313 176.300 0.136 0.000 0.987 578 D CA 2.215 56.303 54.000 0.147 0.000 0.829 578 D CB -0.231 40.641 40.800 0.121 0.000 0.961 578 D HN -0.130 nan 8.370 nan 0.000 0.460 579 T N 0.524 115.178 114.554 0.168 0.000 2.746 579 T HA -0.113 4.235 4.350 -0.004 0.000 0.267 579 T C 1.922 176.678 174.700 0.092 0.000 1.039 579 T CA 1.024 63.248 62.100 0.207 0.000 1.142 579 T CB -0.139 68.976 68.868 0.412 0.000 0.866 579 T HN 0.205 nan 8.240 nan 0.000 0.444 580 I N 1.401 121.950 120.570 -0.034 0.000 2.179 580 I HA -0.103 4.065 4.170 -0.004 0.000 0.242 580 I C 2.569 178.641 176.117 -0.076 0.000 1.088 580 I CA 1.346 62.452 61.300 -0.323 0.000 1.357 580 I CB -1.010 36.814 38.000 -0.294 0.000 1.051 580 I HN 0.258 nan 8.210 nan 0.000 0.409 581 E N 1.304 121.529 120.200 0.043 0.000 2.077 581 E HA -0.180 4.167 4.350 -0.004 0.000 0.193 581 E C 2.015 178.641 176.600 0.043 0.000 0.989 581 E CA 0.873 57.312 56.400 0.066 0.000 0.800 581 E CB -0.232 29.526 29.700 0.097 0.000 0.746 581 E HN 0.430 nan 8.360 nan 0.000 0.452 582 K N 0.526 120.960 120.400 0.056 0.000 2.360 582 K HA 0.006 4.324 4.320 -0.004 0.000 0.201 582 K C 1.781 178.415 176.600 0.058 0.000 1.046 582 K CA 0.497 56.818 56.287 0.056 0.000 0.945 582 K CB -0.064 32.483 32.500 0.079 0.000 0.750 582 K HN -0.050 nan 8.250 nan 0.000 0.464 583 S N 0.824 116.561 115.700 0.061 0.000 2.556 583 S HA -0.013 4.454 4.470 -0.004 0.000 0.216 583 S C 0.197 174.701 174.600 -0.160 0.000 0.970 583 S CA -0.465 57.757 58.200 0.036 0.000 0.912 583 S CB 0.087 63.434 63.200 0.246 0.000 0.790 583 S HN 0.254 nan 8.310 nan 0.000 0.504 584 D N 0.955 121.304 120.400 -0.084 0.000 2.571 584 D HA -0.057 4.581 4.640 -0.004 0.000 0.231 584 D C 0.303 176.550 176.300 -0.090 0.000 1.133 584 D CA 0.274 54.216 54.000 -0.096 0.000 0.862 584 D CB 0.188 41.007 40.800 0.031 0.000 1.179 584 D HN 0.068 nan 8.370 nan 0.000 0.474 585 F N 1.533 121.567 119.950 0.141 0.000 2.456 585 F HA 0.174 4.699 4.527 -0.004 0.000 0.298 585 F C 1.938 177.798 175.800 0.100 0.000 1.104 585 F CA 0.360 58.426 58.000 0.110 0.000 1.435 585 F CB -0.606 38.455 39.000 0.102 0.000 1.078 585 F HN 0.301 nan 8.300 nan 0.000 0.546 586 G N -1.217 107.734 108.800 0.252 0.000 2.415 586 G HA2 0.293 4.251 3.960 -0.004 0.000 0.269 586 G HA3 0.293 4.251 3.960 -0.004 0.000 0.269 586 G C 0.198 175.166 174.900 0.114 0.000 1.209 586 G CA -0.335 44.874 45.100 0.181 0.000 0.835 586 G HN 0.331 nan 8.290 nan 0.000 0.534 587 c N 0.685 119.341 118.600 0.095 0.000 3.065 587 c HA 0.363 4.931 4.570 -0.004 0.000 0.285 587 c C 1.486 175.586 174.090 0.015 0.000 1.257 587 c CA 0.438 56.801 56.329 0.056 0.000 1.691 587 c CB -1.209 41.349 42.510 0.080 0.000 2.089 587 c HN 0.936 nan 8.230 nan 0.000 0.630 588 T N -2.653 111.916 114.554 0.024 0.000 2.864 588 T HA 0.665 5.013 4.350 -0.004 0.000 0.289 588 T C 0.394 175.077 174.700 -0.028 0.000 1.082 588 T CA 0.264 62.372 62.100 0.014 0.000 1.009 588 T CB 1.679 70.613 68.868 0.109 0.000 1.234 588 T HN -0.006 nan 8.240 nan 0.000 0.526 589 A N -0.237 122.569 122.820 -0.022 0.000 2.278 589 A HA 0.724 5.042 4.320 -0.004 0.000 0.212 589 A C 1.195 178.856 177.584 0.129 0.000 1.213 589 A CA 0.471 52.506 52.037 -0.003 0.000 0.840 589 A CB -1.156 17.821 19.000 -0.040 0.000 0.866 589 A HN 1.985 nan 8.150 nan 0.000 0.489 590 G N -2.501 106.389 108.800 0.149 0.000 2.351 590 G HA2 0.463 4.421 3.960 -0.004 0.000 0.353 590 G HA3 0.463 4.421 3.960 -0.004 0.000 0.353 590 G C 0.029 175.060 174.900 0.218 0.000 1.358 590 G CA -0.018 45.182 45.100 0.167 0.000 0.995 590 G HN 1.561 nan 8.290 nan 0.000 0.611 591 S N -2.107 113.702 115.700 0.182 0.000 3.109 591 S HA 0.379 4.846 4.470 -0.004 0.000 0.632 591 S C 1.026 175.725 174.600 0.165 0.000 2.927 591 S CA 2.219 60.539 58.200 0.201 0.000 3.233 591 S CB -1.020 62.363 63.200 0.306 0.000 0.325 591 S HN 3.111 nan 8.310 nan 0.000 1.720 592 G N -0.825 107.995 108.800 0.034 0.000 2.328 592 G HA2 0.451 4.409 3.960 -0.004 0.000 0.295 592 G HA3 0.451 4.409 3.960 -0.004 0.000 0.295 592 G C -0.403 173.855 174.900 -1.069 0.000 1.413 592 G CA 0.701 45.484 45.100 -0.529 0.000 0.817 592 G HN 0.846 nan 8.290 nan 0.000 0.546 593 Q N -0.239 118.833 119.800 -1.213 0.000 2.224 593 Q HA 0.080 4.418 4.340 -0.004 0.000 0.203 593 Q C 0.938 176.615 176.000 -0.539 0.000 0.970 593 Q CA 2.435 57.768 55.803 -0.784 0.000 0.865 593 Q CB -0.081 28.438 28.738 -0.366 0.000 0.922 593 Q HN 0.840 nan 8.270 nan 0.000 0.445 594 N N -2.351 116.035 118.700 -0.523 0.000 3.387 594 N HA 0.025 4.763 4.740 -0.004 0.000 0.294 594 N C -0.134 175.192 175.510 -0.307 0.000 1.519 594 N CA -0.001 52.614 53.050 -0.726 0.000 0.875 594 N CB -0.488 37.730 38.487 -0.448 0.000 1.657 594 N HN -0.034 nan 8.380 nan 0.000 0.527 595 N N 0.301 118.902 118.700 -0.164 0.000 2.069 595 N HA -0.135 4.603 4.740 -0.004 0.000 0.191 595 N C 1.352 176.992 175.510 0.218 0.000 1.031 595 N CA 1.826 54.970 53.050 0.155 0.000 0.852 595 N CB -0.701 37.870 38.487 0.140 0.000 1.018 595 N HN 0.564 nan 8.380 nan 0.000 0.423 596 L N -0.233 121.052 121.223 0.102 0.000 2.056 596 L HA 0.030 4.368 4.340 -0.004 0.000 0.207 596 L C 2.693 179.642 176.870 0.131 0.000 1.078 596 L CA 1.360 56.280 54.840 0.133 0.000 0.749 596 L CB -1.103 40.965 42.059 0.015 0.000 0.901 596 L HN 0.391 nan 8.230 nan 0.000 0.433 597 G N -0.038 108.772 108.800 0.017 0.000 2.469 597 G HA2 -0.229 3.729 3.960 -0.004 0.000 0.219 597 G HA3 -0.229 3.729 3.960 -0.004 0.000 0.219 597 G C 1.589 176.498 174.900 0.015 0.000 1.150 597 G CA 1.081 46.164 45.100 -0.027 0.000 0.763 597 G HN 0.210 nan 8.290 nan 0.000 0.561 598 V N 0.174 120.104 119.914 0.028 0.000 2.343 598 V HA -0.119 3.999 4.120 -0.004 0.000 0.247 598 V C 2.491 178.533 176.094 -0.087 0.000 1.051 598 V CA 1.657 63.934 62.300 -0.038 0.000 1.036 598 V CB -0.602 31.160 31.823 -0.101 0.000 0.654 598 V HN 0.336 nan 8.190 nan 0.000 0.451 599 F N 0.623 120.607 119.950 0.056 0.000 2.098 599 F HA -0.096 4.429 4.527 -0.004 0.000 0.294 599 F C 2.468 178.304 175.800 0.060 0.000 1.107 599 F CA 1.728 59.762 58.000 0.057 0.000 1.234 599 F CB -0.642 38.370 39.000 0.020 0.000 1.002 599 F HN 0.125 nan 8.300 nan 0.000 0.472 600 E N 0.177 120.515 120.200 0.230 0.000 2.070 600 E HA -0.247 4.101 4.350 -0.004 0.000 0.197 600 E C 1.616 178.295 176.600 0.131 0.000 1.004 600 E CA 1.751 58.239 56.400 0.146 0.000 0.805 600 E CB -0.284 29.476 29.700 0.100 0.000 0.744 600 E HN 0.313 nan 8.360 nan 0.000 0.451 601 D N -0.457 120.012 120.400 0.115 0.000 2.312 601 D HA -0.028 4.609 4.640 -0.004 0.000 0.211 601 D C 1.307 177.682 176.300 0.125 0.000 0.964 601 D CA 0.865 54.935 54.000 0.116 0.000 0.877 601 D CB 0.053 40.924 40.800 0.120 0.000 0.924 601 D HN 0.186 nan 8.370 nan 0.000 0.515 602 A N -0.569 122.327 122.820 0.127 0.000 2.238 602 A HA 0.475 4.792 4.320 -0.004 0.000 0.210 602 A C 1.618 179.312 177.584 0.183 0.000 1.179 602 A CA 0.763 52.886 52.037 0.143 0.000 0.827 602 A CB 0.043 19.107 19.000 0.107 0.000 0.856 602 A HN 0.183 nan 8.150 nan 0.000 0.488 603 G N -0.991 107.921 108.800 0.186 0.000 2.142 603 G HA2 -0.160 3.797 3.960 -0.004 0.000 0.225 603 G HA3 -0.160 3.797 3.960 -0.004 0.000 0.225 603 G C -0.177 174.834 174.900 0.185 0.000 1.015 603 G CA 0.239 45.464 45.100 0.209 0.000 0.716 603 G HN 0.422 nan 8.290 nan 0.000 0.508 604 L N -0.094 121.248 121.223 0.198 0.000 2.342 604 L HA 0.867 5.205 4.340 -0.004 0.000 0.271 604 L C 0.577 177.540 176.870 0.155 0.000 1.008 604 L CA -0.761 54.204 54.840 0.207 0.000 0.818 604 L CB 2.094 44.365 42.059 0.354 0.000 1.296 604 L HN 0.318 nan 8.230 nan 0.000 0.427 605 A N 2.448 125.310 122.820 0.070 0.000 2.325 605 A HA 0.811 5.129 4.320 -0.004 0.000 0.333 605 A C -1.260 176.269 177.584 -0.092 0.000 1.155 605 A CA -0.415 51.619 52.037 -0.005 0.000 0.814 605 A CB 1.512 20.497 19.000 -0.026 0.000 1.206 605 A HN 0.514 nan 8.150 nan 0.000 0.482 606 L N 1.207 122.322 121.223 -0.181 0.000 2.410 606 L HA 0.806 5.143 4.340 -0.004 0.000 0.270 606 L C -0.301 176.443 176.870 -0.209 0.000 0.983 606 L CA 0.251 54.896 54.840 -0.324 0.000 0.822 606 L CB 2.260 43.897 42.059 -0.704 0.000 1.285 606 L HN 0.777 nan 8.230 nan 0.000 0.409 607 T N 2.366 116.823 114.554 -0.161 0.000 2.903 607 T HA 0.861 5.208 4.350 -0.004 0.000 0.299 607 T C -0.836 173.817 174.700 -0.078 0.000 1.093 607 T CA 0.280 62.316 62.100 -0.106 0.000 1.002 607 T CB 1.304 70.134 68.868 -0.063 0.000 1.127 607 T HN 0.967 nan 8.240 nan 0.000 0.488 608 T N -0.537 113.987 114.554 -0.051 0.000 2.883 608 T HA 0.464 4.811 4.350 -0.004 0.000 0.296 608 T C 1.342 176.062 174.700 0.033 0.000 1.117 608 T CA -0.019 62.078 62.100 -0.005 0.000 1.006 608 T CB 1.274 70.121 68.868 -0.035 0.000 1.191 608 T HN 0.625 nan 8.240 nan 0.000 0.508 609 S N -0.078 115.677 115.700 0.093 0.000 2.500 609 S HA -0.081 4.386 4.470 -0.004 0.000 0.239 609 S C 1.624 176.262 174.600 0.064 0.000 0.989 609 S CA 1.098 59.367 58.200 0.116 0.000 0.951 609 S CB -1.181 62.171 63.200 0.254 0.000 0.759 609 S HN 1.099 nan 8.310 nan 0.000 0.523 610 T N -1.888 112.684 114.554 0.030 0.000 3.122 610 T HA 0.295 4.643 4.350 -0.004 0.000 0.250 610 T C 0.216 174.911 174.700 -0.008 0.000 1.067 610 T CA -0.130 61.975 62.100 0.008 0.000 0.966 610 T CB -0.699 68.165 68.868 -0.007 0.000 1.002 610 T HN 0.322 nan 8.240 nan 0.000 0.542 611 N N 0.024 118.717 118.700 -0.011 0.000 2.776 611 N HA -0.113 4.624 4.740 -0.004 0.000 0.249 611 N C -0.835 174.650 175.510 -0.041 0.000 1.111 611 N CA 0.326 53.362 53.050 -0.024 0.000 0.711 611 N CB -1.862 36.614 38.487 -0.017 0.000 1.065 611 N HN 0.483 nan 8.380 nan 0.000 0.556 612 L N 0.749 121.938 121.223 -0.057 0.000 2.312 612 L HA 0.388 4.726 4.340 -0.004 0.000 0.287 612 L C -0.528 176.281 176.870 -0.101 0.000 1.091 612 L CA -0.210 54.583 54.840 -0.079 0.000 0.846 612 L CB 0.220 42.222 42.059 -0.095 0.000 1.219 612 L HN 0.091 nan 8.230 nan 0.000 0.439 613 N N 2.308 120.958 118.700 -0.085 0.000 2.284 613 N HA 0.401 5.138 4.740 -0.004 0.000 0.300 613 N C -0.529 174.934 175.510 -0.079 0.000 1.047 613 N CA -0.451 52.545 53.050 -0.090 0.000 0.821 613 N CB 1.785 40.230 38.487 -0.070 0.000 1.337 613 N HN 0.575 nan 8.380 nan 0.000 0.482 614 T N -1.417 113.085 114.554 -0.086 0.000 2.926 614 T HA 0.167 4.515 4.350 -0.004 0.000 0.307 614 T C 0.662 175.341 174.700 -0.035 0.000 1.059 614 T CA -0.476 61.598 62.100 -0.044 0.000 1.122 614 T CB 0.569 69.424 68.868 -0.022 0.000 0.972 614 T HN 0.473 nan 8.240 nan 0.000 0.545 615 K N 1.659 122.049 120.400 -0.017 0.000 2.180 615 K HA 0.186 4.503 4.320 -0.004 0.000 0.251 615 K C 0.069 176.661 176.600 -0.013 0.000 1.014 615 K CA -0.964 55.312 56.287 -0.018 0.000 0.913 615 K CB 0.470 32.965 32.500 -0.007 0.000 1.008 615 K HN 0.379 nan 8.250 nan 0.000 0.490 616 Q N 1.579 121.366 119.800 -0.022 0.000 2.361 616 Q HA -0.001 4.336 4.340 -0.004 0.000 0.276 616 Q C -0.375 175.642 176.000 0.029 0.000 1.022 616 Q CA 0.425 56.221 55.803 -0.012 0.000 0.898 616 Q CB 0.921 29.633 28.738 -0.044 0.000 1.246 616 Q HN 0.527 nan 8.270 nan 0.000 0.410 617 R N 1.262 121.795 120.500 0.054 0.000 2.308 617 R HA 0.170 4.507 4.340 -0.004 0.000 0.305 617 R C 0.808 177.163 176.300 0.092 0.000 1.053 617 R CA -0.040 56.097 56.100 0.062 0.000 0.957 617 R CB 0.646 30.967 30.300 0.036 0.000 1.022 617 R HN 0.641 nan 8.270 nan 0.000 0.461 618 S N 2.533 118.280 115.700 0.078 0.000 2.363 618 S HA -0.072 4.395 4.470 -0.004 0.000 0.218 618 S C 0.506 175.155 174.600 0.082 0.000 1.035 618 S CA 1.318 59.569 58.200 0.085 0.000 1.043 618 S CB -0.030 63.212 63.200 0.069 0.000 0.986 618 S HN 0.781 nan 8.310 nan 0.000 0.423 619 A N -0.798 122.061 122.820 0.064 0.000 2.527 619 A HA 0.830 5.148 4.320 -0.004 0.000 0.293 619 A C 0.844 178.463 177.584 0.057 0.000 1.117 619 A CA -0.089 51.979 52.037 0.053 0.000 0.723 619 A CB 0.664 19.703 19.000 0.065 0.000 1.313 619 A HN 0.334 nan 8.150 nan 0.000 0.411 620 A N 0.144 123.000 122.820 0.060 0.000 2.019 620 A HA 0.046 4.364 4.320 -0.004 0.000 0.219 620 A C 0.944 178.675 177.584 0.244 0.000 1.164 620 A CA 1.290 53.408 52.037 0.135 0.000 0.644 620 A CB -0.417 18.688 19.000 0.175 0.000 0.805 620 A HN 0.642 nan 8.150 nan 0.000 0.449 621 K N 0.121 120.619 120.400 0.164 0.000 2.258 621 K HA 0.360 4.678 4.320 -0.004 0.000 0.284 621 K C -0.774 175.900 176.600 0.125 0.000 1.051 621 K CA -0.694 55.681 56.287 0.147 0.000 0.923 621 K CB 0.952 33.517 32.500 0.108 0.000 1.046 621 K HN 0.268 nan 8.250 nan 0.000 0.474 622 c N 4.831 123.506 118.600 0.125 0.000 2.648 622 c HA 0.108 4.675 4.570 -0.004 0.000 0.419 622 c C -1.422 172.712 174.090 0.074 0.000 1.352 622 c CA -1.290 55.098 56.329 0.098 0.000 1.816 622 c CB -1.135 41.427 42.510 0.087 0.000 2.598 622 c HN 0.697 nan 8.230 nan 0.000 0.598 623 P HA -0.012 nan 4.420 nan 0.000 0.269 623 P C 0.102 177.430 177.300 0.046 0.000 1.200 623 P CA 0.237 63.370 63.100 0.055 0.000 0.779 623 P CB 0.353 32.086 31.700 0.054 0.000 0.841 624 Q N 0.000 119.824 119.800 0.041 0.000 2.315 624 Q HA 0.000 4.338 4.340 -0.004 0.000 0.214 624 Q CA 0.000 55.823 55.803 0.034 0.000 1.022 624 Q CB 0.000 28.757 28.738 0.032 0.000 1.108 624 Q HN 0.000 nan 8.270 nan 0.000 0.481