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 3fhe_1_A DATA FIRST_RESID 4 DATA SEQUENCE VDTCSLASPA SVCRTKHLHL RCSVDFTRRT LTGTAALTVQ SQEDNLRSLV DATA SEQUENCE LDTKDLTIEK VVINGQEVKY ALGERQSYKG SPMEISLPIA LSKNQEIVIE DATA SEQUENCE ISFETSPKSS ALQWLTPEQT SGKEHPYLFS QCQAIHCRAI LPCQDTPSVK DATA SEQUENCE LTYTAEVSVP KELVALMSAI RDGETPDPED PSRKIYKFIQ KVPIPCYLIA DATA SEQUENCE LVVGALESRQ IGPRTLVWSE KEQVEKSAYE FSETESMLKI AEDLGGPYVW DATA SEQUENCE GQYDLLVLPP SFPYGGMENP CLTFVTPTLL AGDKSLSNVI AHEISHSWTG DATA SEQUENCE NLVTNKTWDH FWLNEGHTVY LERHICGRLF GEKFRHFNAL GGWGELQNSV DATA SEQUENCE KTFGETHPFT KLVVDLTDID PDVAYSSVPY EKGFALLFYL EQLLGGPEIF DATA SEQUENCE LGFLKAYVEK FSYKSITTDD WKDFLYSYFK DKVDVLNQVD WNAWLYSPGL DATA SEQUENCE PPIKPNYDMT LTNACIALSQ RWITAKEDDL NSFNATDLKD LSSHQLNEFL DATA SEQUENCE AQTLQRAPLP LGHIKRMQEV YNFNAINNSE IRFRWLRLCI QSKWEDAIPL DATA SEQUENCE ALKMATEQGR MKFTRPLFKD LAAFDKSHDQ AVRTYQEHKA SMHPVTAMLV DATA SEQUENCE GKDLKVD 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 4 V HA 0.000 nan 4.120 nan 0.000 0.244 4 V C 0.000 176.124 176.094 0.050 0.000 1.182 4 V CA 0.000 62.325 62.300 0.041 0.000 1.235 4 V CB 0.000 31.848 31.823 0.041 0.000 1.184 5 D N 3.126 123.549 120.400 0.038 0.000 2.441 5 D HA 0.239 4.879 4.640 -0.001 0.000 0.221 5 D C 1.408 177.746 176.300 0.064 0.000 1.156 5 D CA 0.441 54.468 54.000 0.046 0.000 0.896 5 D CB 1.760 42.573 40.800 0.022 0.000 1.028 5 D HN 0.823 nan 8.370 nan 0.000 0.509 6 T N -0.376 114.227 114.554 0.081 0.000 3.113 6 T HA -0.079 4.271 4.350 -0.001 0.000 0.263 6 T C 1.727 176.491 174.700 0.106 0.000 1.143 6 T CA 0.262 62.412 62.100 0.084 0.000 1.090 6 T CB -0.354 68.565 68.868 0.085 0.000 0.922 6 T HN 0.409 nan 8.240 nan 0.000 0.521 7 C N 1.222 120.605 119.300 0.139 0.000 2.673 7 C HA 0.475 4.935 4.460 -0.001 0.000 0.264 7 C C 1.407 176.461 174.990 0.107 0.000 1.304 7 C CA -0.550 58.568 59.018 0.166 0.000 1.727 7 C CB -0.902 26.991 27.740 0.256 0.000 1.932 7 C HN 0.630 nan 8.230 nan 0.000 0.563 8 S N -0.147 115.600 115.700 0.079 0.000 2.501 8 S HA 0.644 5.114 4.470 -0.001 0.000 0.301 8 S C 0.136 174.746 174.600 0.017 0.000 1.096 8 S CA -0.543 57.684 58.200 0.045 0.000 1.063 8 S CB 0.725 63.954 63.200 0.049 0.000 1.042 8 S HN 0.404 nan 8.310 nan 0.000 0.494 9 L N 2.925 124.147 121.223 -0.002 0.000 2.640 9 L HA 0.427 4.767 4.340 -0.001 0.000 0.230 9 L C 1.184 178.052 176.870 -0.003 0.000 1.123 9 L CA -0.261 54.573 54.840 -0.009 0.000 0.900 9 L CB -0.395 41.649 42.059 -0.025 0.000 1.146 9 L HN 0.675 nan 8.230 nan 0.000 0.484 10 A N -0.009 122.811 122.820 0.001 0.000 2.313 10 A HA 0.423 4.743 4.320 -0.001 0.000 0.261 10 A C 0.609 178.195 177.584 0.004 0.000 1.090 10 A CA -0.205 51.832 52.037 0.001 0.000 0.807 10 A CB 0.274 19.273 19.000 -0.001 0.000 1.055 10 A HN 0.178 nan 8.150 nan 0.000 0.492 11 S N 2.554 118.257 115.700 0.004 0.000 2.552 11 S HA 0.263 4.732 4.470 -0.001 0.000 0.289 11 S C -1.975 172.629 174.600 0.006 0.000 1.304 11 S CA -0.395 57.809 58.200 0.006 0.000 1.063 11 S CB -0.133 63.071 63.200 0.007 0.000 0.848 11 S HN 0.645 nan 8.310 nan 0.000 0.499 12 P HA 0.233 nan 4.420 nan 0.000 0.276 12 P C 0.384 177.686 177.300 0.003 0.000 1.261 12 P CA -0.465 62.638 63.100 0.005 0.000 0.800 12 P CB 0.594 32.298 31.700 0.007 0.000 1.066 13 A N 1.154 123.974 122.820 0.000 0.000 2.024 13 A HA -0.171 4.149 4.320 -0.001 0.000 0.220 13 A C 2.131 179.716 177.584 0.002 0.000 1.164 13 A CA 2.197 54.234 52.037 -0.000 0.000 0.643 13 A CB -1.730 17.267 19.000 -0.005 0.000 0.806 13 A HN 0.659 nan 8.150 nan 0.000 0.451 14 S N -0.838 114.864 115.700 0.003 0.000 2.453 14 S HA -0.041 4.428 4.470 -0.001 0.000 0.231 14 S C 1.598 176.201 174.600 0.005 0.000 1.005 14 S CA 1.213 59.416 58.200 0.004 0.000 0.949 14 S CB -0.436 62.767 63.200 0.005 0.000 0.774 14 S HN 0.248 nan 8.310 nan 0.000 0.510 15 V N 1.211 121.128 119.914 0.005 0.000 2.374 15 V HA 0.168 4.288 4.120 -0.001 0.000 0.241 15 V C 1.328 177.426 176.094 0.006 0.000 1.034 15 V CA 0.848 63.152 62.300 0.006 0.000 1.037 15 V CB -0.358 31.469 31.823 0.007 0.000 0.682 15 V HN 0.932 nan 8.190 nan 0.000 0.463 16 C N -0.802 118.501 119.300 0.006 0.000 3.311 16 C HA 0.810 5.270 4.460 -0.001 0.000 0.325 16 C C -0.894 174.100 174.990 0.007 0.000 1.352 16 C CA -1.331 57.691 59.018 0.007 0.000 1.308 16 C CB 1.677 29.422 27.740 0.009 0.000 1.619 16 C HN 0.416 nan 8.230 nan 0.000 0.469 17 R N 0.620 121.125 120.500 0.008 0.000 2.538 17 R HA 0.625 4.965 4.340 -0.001 0.000 0.292 17 R C -0.861 175.448 176.300 0.015 0.000 1.008 17 R CA -0.228 55.877 56.100 0.009 0.000 0.896 17 R CB 2.284 32.589 30.300 0.008 0.000 1.187 17 R HN 0.867 nan 8.270 nan 0.000 0.440 18 T N 3.890 118.453 114.554 0.015 0.000 2.834 18 T HA 0.080 4.429 4.350 -0.001 0.000 0.298 18 T C 0.956 175.679 174.700 0.039 0.000 0.966 18 T CA -0.269 61.846 62.100 0.025 0.000 1.141 18 T CB 0.703 69.579 68.868 0.013 0.000 0.905 18 T HN 0.280 nan 8.240 nan 0.000 0.535 19 K N 1.713 122.150 120.400 0.061 0.000 2.308 19 K HA 0.145 4.464 4.320 -0.001 0.000 0.197 19 K C 0.547 177.243 176.600 0.159 0.000 1.049 19 K CA 0.612 56.947 56.287 0.081 0.000 0.991 19 K CB 0.185 32.723 32.500 0.064 0.000 0.836 19 K HN 0.773 nan 8.250 nan 0.000 0.500 20 H N -1.148 117.947 119.070 0.043 0.000 3.079 20 H HA 0.467 5.023 4.556 -0.001 0.000 0.356 20 H C -2.022 173.360 175.328 0.089 0.000 1.221 20 H CA -0.945 55.147 56.048 0.074 0.000 1.185 20 H CB 1.404 31.206 29.762 0.066 0.000 1.882 20 H HN -0.084 nan 8.280 nan 0.000 0.543 21 L N 4.195 125.220 121.223 -0.330 0.000 2.356 21 L HA 0.372 4.711 4.340 -0.001 0.000 0.277 21 L C -1.477 175.314 176.870 -0.132 0.000 0.996 21 L CA -0.356 54.397 54.840 -0.145 0.000 0.822 21 L CB 1.245 43.218 42.059 -0.144 0.000 1.256 21 L HN 0.813 nan 8.230 nan 0.000 0.413 22 H N 5.875 124.978 119.070 0.056 0.000 2.581 22 H HA 0.385 4.941 4.556 -0.001 0.000 0.308 22 H C -1.591 173.803 175.328 0.109 0.000 1.040 22 H CA -0.809 55.323 56.048 0.139 0.000 1.231 22 H CB 1.687 31.581 29.762 0.219 0.000 1.396 22 H HN 0.650 nan 8.280 nan 0.000 0.467 23 L N 6.434 127.458 121.223 -0.330 0.000 2.272 23 L HA 0.392 4.731 4.340 -0.001 0.000 0.289 23 L C -0.667 176.013 176.870 -0.317 0.000 1.032 23 L CA -0.326 54.389 54.840 -0.208 0.000 0.810 23 L CB 0.796 42.796 42.059 -0.099 0.000 1.205 23 L HN 0.609 nan 8.230 nan 0.000 0.422 24 R N 5.215 125.603 120.500 -0.186 0.000 2.388 24 R HA 0.657 4.997 4.340 -0.001 0.000 0.314 24 R C -1.089 175.174 176.300 -0.062 0.000 0.959 24 R CA -0.513 55.524 56.100 -0.104 0.000 0.851 24 R CB 1.113 31.389 30.300 -0.040 0.000 1.168 24 R HN 0.903 nan 8.270 nan 0.000 0.472 25 C N -0.757 118.522 119.300 -0.035 0.000 3.291 25 C HA 0.815 5.275 4.460 -0.001 0.000 0.316 25 C C -0.432 174.545 174.990 -0.021 0.000 1.391 25 C CA -1.019 57.959 59.018 -0.066 0.000 1.394 25 C CB 1.927 29.634 27.740 -0.055 0.000 1.744 25 C HN 0.665 nan 8.230 nan 0.000 0.461 26 S N 0.102 115.778 115.700 -0.040 0.000 2.521 26 S HA 0.715 5.185 4.470 -0.001 0.000 0.295 26 S C -1.117 173.483 174.600 0.001 0.000 1.098 26 S CA -0.342 57.857 58.200 -0.002 0.000 0.999 26 S CB 1.337 64.532 63.200 -0.009 0.000 1.034 26 S HN 1.079 nan 8.310 nan 0.000 0.483 27 V N 4.778 124.707 119.914 0.025 0.000 2.334 27 V HA 0.342 4.461 4.120 -0.001 0.000 0.267 27 V C -0.167 175.917 176.094 -0.016 0.000 1.040 27 V CA -0.594 61.704 62.300 -0.004 0.000 0.866 27 V CB 1.012 32.782 31.823 -0.088 0.000 1.019 27 V HN 0.855 nan 8.190 nan 0.000 0.468 28 D N 4.112 124.492 120.400 -0.034 0.000 2.467 28 D HA 0.275 4.915 4.640 -0.001 0.000 0.220 28 D C 0.635 176.820 176.300 -0.192 0.000 1.103 28 D CA -0.423 53.540 54.000 -0.062 0.000 0.886 28 D CB 0.752 41.505 40.800 -0.079 0.000 1.025 28 D HN 0.355 nan 8.370 nan 0.000 0.514 29 F N 1.119 121.099 119.950 0.050 0.000 2.365 29 F HA -0.098 4.429 4.527 -0.001 0.000 0.300 29 F C 2.451 178.179 175.800 -0.119 0.000 1.090 29 F CA 0.821 58.832 58.000 0.019 0.000 1.408 29 F CB -0.068 39.036 39.000 0.175 0.000 1.060 29 F HN 0.298 nan 8.300 nan 0.000 0.534 30 T N -0.538 114.053 114.554 0.062 0.000 2.857 30 T HA -0.102 4.247 4.350 -0.001 0.000 0.266 30 T C 1.813 176.446 174.700 -0.113 0.000 1.048 30 T CA 1.147 63.242 62.100 -0.007 0.000 1.139 30 T CB -0.113 68.759 68.868 0.005 0.000 0.874 30 T HN 0.235 nan 8.240 nan 0.000 0.455 31 R N 0.131 120.515 120.500 -0.194 0.000 2.362 31 R HA 0.329 4.669 4.340 -0.001 0.000 0.227 31 R C 0.108 176.133 176.300 -0.459 0.000 0.905 31 R CA -0.239 55.712 56.100 -0.248 0.000 1.067 31 R CB 0.334 30.528 30.300 -0.177 0.000 1.078 31 R HN 0.155 nan 8.270 nan 0.000 0.516 32 R N 1.466 121.484 120.500 -0.803 0.000 3.251 32 R HA -0.145 4.194 4.340 -0.001 0.000 0.249 32 R C -0.677 174.919 176.300 -1.173 0.000 0.949 32 R CA 1.179 56.198 56.100 -1.802 0.000 0.645 32 R CB -2.196 27.168 30.300 -1.559 0.000 1.065 32 R HN 0.395 nan 8.270 nan 0.000 0.452 33 T N -2.468 111.708 114.554 -0.630 0.000 2.907 33 T HA 0.670 5.019 4.350 -0.001 0.000 0.292 33 T C -0.199 174.552 174.700 0.084 0.000 1.043 33 T CA -1.125 60.898 62.100 -0.128 0.000 1.003 33 T CB 2.553 71.350 68.868 -0.118 0.000 1.084 33 T HN 0.242 nan 8.240 nan 0.000 0.483 34 L N 1.821 123.141 121.223 0.161 0.000 2.313 34 L HA 0.734 5.073 4.340 -0.001 0.000 0.283 34 L C -0.942 175.894 176.870 -0.056 0.000 1.013 34 L CA -0.191 54.705 54.840 0.093 0.000 0.816 34 L CB 1.564 43.715 42.059 0.153 0.000 1.236 34 L HN 0.925 nan 8.230 nan 0.000 0.419 35 T N 3.899 118.350 114.554 -0.172 0.000 2.861 35 T HA 0.873 5.223 4.350 -0.001 0.000 0.287 35 T C -0.043 174.394 174.700 -0.437 0.000 1.003 35 T CA -0.088 61.812 62.100 -0.335 0.000 0.977 35 T CB 1.757 70.509 68.868 -0.193 0.000 0.996 35 T HN 0.999 nan 8.240 nan 0.000 0.448 36 G N 1.667 110.027 108.800 -0.733 0.000 2.452 36 G HA2 0.496 4.455 3.960 -0.001 0.000 0.224 36 G HA3 0.496 4.455 3.960 -0.001 0.000 0.224 36 G C -1.104 173.490 174.900 -0.510 0.000 1.208 36 G CA -0.137 44.665 45.100 -0.496 0.000 0.946 36 G HN 0.976 nan 8.290 nan 0.000 0.481 37 T N -1.989 112.464 114.554 -0.169 0.000 2.861 37 T HA 0.790 5.139 4.350 -0.001 0.000 0.287 37 T C -0.366 174.475 174.700 0.235 0.000 1.003 37 T CA 0.284 62.424 62.100 0.066 0.000 0.977 37 T CB 1.857 70.752 68.868 0.044 0.000 0.996 37 T HN 1.969 nan 8.240 nan 0.000 0.448 38 A N 2.284 125.303 122.820 0.331 0.000 2.273 38 A HA 0.787 5.107 4.320 -0.001 0.000 0.320 38 A C 0.383 178.025 177.584 0.097 0.000 1.358 38 A CA -0.875 51.258 52.037 0.160 0.000 0.910 38 A CB -0.072 18.933 19.000 0.008 0.000 1.159 38 A HN 1.393 nan 8.150 nan 0.000 0.526 39 A N 3.889 126.775 122.820 0.111 0.000 2.294 39 A HA 0.609 4.928 4.320 -0.001 0.000 0.316 39 A C -0.314 177.342 177.584 0.119 0.000 1.359 39 A CA -0.274 51.838 52.037 0.126 0.000 0.956 39 A CB -0.234 18.879 19.000 0.187 0.000 1.155 39 A HN 0.797 nan 8.150 nan 0.000 0.544 40 L N 2.818 124.085 121.223 0.073 0.000 2.264 40 L HA 0.319 4.659 4.340 -0.001 0.000 0.289 40 L C 0.151 177.068 176.870 0.077 0.000 1.044 40 L CA -0.348 54.530 54.840 0.063 0.000 0.807 40 L CB 1.466 43.536 42.059 0.019 0.000 1.192 40 L HN 0.567 nan 8.230 nan 0.000 0.425 41 T N 3.223 117.842 114.554 0.109 0.000 2.737 41 T HA 0.353 4.702 4.350 -0.001 0.000 0.296 41 T C 0.065 174.802 174.700 0.062 0.000 0.922 41 T CA -0.270 61.881 62.100 0.086 0.000 1.079 41 T CB 0.915 69.846 68.868 0.105 0.000 0.892 41 T HN 0.202 nan 8.240 nan 0.000 0.514 42 V N 4.342 124.280 119.914 0.040 0.000 2.495 42 V HA 0.415 4.534 4.120 -0.001 0.000 0.298 42 V C -0.037 176.069 176.094 0.021 0.000 1.031 42 V CA -0.928 61.389 62.300 0.028 0.000 0.871 42 V CB 1.867 33.703 31.823 0.021 0.000 0.988 42 V HN 0.780 nan 8.190 nan 0.000 0.432 43 Q N 2.461 122.272 119.800 0.017 0.000 2.325 43 Q HA 0.424 4.764 4.340 -0.001 0.000 0.262 43 Q C -0.063 175.943 176.000 0.009 0.000 0.968 43 Q CA -0.204 55.606 55.803 0.011 0.000 0.877 43 Q CB 1.570 30.313 28.738 0.009 0.000 1.253 43 Q HN 0.816 nan 8.270 nan 0.000 0.448 44 S N 2.747 118.451 115.700 0.008 0.000 2.549 44 S HA 0.026 4.495 4.470 -0.001 0.000 0.283 44 S C 0.527 175.130 174.600 0.005 0.000 1.320 44 S CA -0.055 58.150 58.200 0.007 0.000 1.058 44 S CB 0.648 63.852 63.200 0.007 0.000 0.882 44 S HN 0.700 nan 8.310 nan 0.000 0.498 45 Q N 2.393 122.196 119.800 0.005 0.000 2.282 45 Q HA 0.316 4.656 4.340 -0.001 0.000 0.206 45 Q C -0.248 175.755 176.000 0.004 0.000 0.878 45 Q CA 0.453 56.258 55.803 0.004 0.000 0.944 45 Q CB 0.426 29.166 28.738 0.004 0.000 1.100 45 Q HN 0.725 nan 8.270 nan 0.000 0.509 46 E N 0.493 120.695 120.200 0.005 0.000 2.277 46 E HA 0.236 4.585 4.350 -0.001 0.000 0.266 46 E C -1.292 175.311 176.600 0.004 0.000 0.901 46 E CA -0.704 55.698 56.400 0.005 0.000 0.782 46 E CB 1.582 31.285 29.700 0.006 0.000 1.228 46 E HN -0.076 nan 8.360 nan 0.000 0.424 47 D N 0.925 121.327 120.400 0.004 0.000 2.443 47 D HA -0.027 4.613 4.640 -0.001 0.000 0.239 47 D C 0.131 176.434 176.300 0.005 0.000 1.136 47 D CA 0.625 54.627 54.000 0.004 0.000 0.879 47 D CB 0.341 41.143 40.800 0.003 0.000 1.195 47 D HN 0.450 nan 8.370 nan 0.000 0.443 48 N N 1.597 120.300 118.700 0.005 0.000 2.727 48 N HA -0.215 4.525 4.740 -0.001 0.000 0.249 48 N C -1.280 174.234 175.510 0.007 0.000 1.048 48 N CA 0.158 53.211 53.050 0.005 0.000 0.714 48 N CB -1.107 37.383 38.487 0.005 0.000 0.959 48 N HN 0.388 nan 8.380 nan 0.000 0.544 49 L N 0.593 121.821 121.223 0.007 0.000 2.360 49 L HA 0.309 4.649 4.340 -0.001 0.000 0.276 49 L C 1.278 178.154 176.870 0.011 0.000 1.121 49 L CA 0.533 55.378 54.840 0.009 0.000 0.845 49 L CB 0.615 42.679 42.059 0.009 0.000 1.143 49 L HN 0.255 nan 8.230 nan 0.000 0.452 50 R N 2.153 122.660 120.500 0.012 0.000 2.487 50 R HA 0.277 4.617 4.340 -0.001 0.000 0.272 50 R C -0.329 175.982 176.300 0.017 0.000 0.928 50 R CA 0.469 56.577 56.100 0.014 0.000 1.077 50 R CB 0.451 30.758 30.300 0.012 0.000 1.265 50 R HN 0.785 nan 8.270 nan 0.000 0.537 51 S N 0.446 116.157 115.700 0.017 0.000 2.615 51 S HA 0.660 5.129 4.470 -0.001 0.000 0.269 51 S C -1.135 173.477 174.600 0.020 0.000 1.161 51 S CA -0.993 57.220 58.200 0.022 0.000 0.817 51 S CB 1.917 65.130 63.200 0.023 0.000 1.131 51 S HN 0.106 nan 8.310 nan 0.000 0.467 52 L N -1.192 120.044 121.223 0.023 0.000 2.600 52 L HA 0.943 5.282 4.340 -0.001 0.000 0.257 52 L C -1.906 174.976 176.870 0.020 0.000 1.048 52 L CA -1.028 53.822 54.840 0.018 0.000 0.869 52 L CB 1.007 43.075 42.059 0.014 0.000 1.482 52 L HN 0.638 nan 8.230 nan 0.000 0.408 53 V N 1.938 121.860 119.914 0.014 0.000 2.540 53 V HA 0.588 4.707 4.120 -0.001 0.000 0.302 53 V C 0.023 176.119 176.094 0.003 0.000 1.035 53 V CA -0.396 61.912 62.300 0.012 0.000 0.873 53 V CB 1.884 33.714 31.823 0.011 0.000 0.992 53 V HN 0.608 nan 8.190 nan 0.000 0.428 54 L N 2.691 123.912 121.223 -0.003 0.000 2.333 54 L HA 0.620 4.959 4.340 -0.001 0.000 0.269 54 L C -0.353 176.503 176.870 -0.023 0.000 1.010 54 L CA -0.824 54.005 54.840 -0.019 0.000 0.818 54 L CB 2.023 44.060 42.059 -0.036 0.000 1.306 54 L HN 0.540 nan 8.230 nan 0.000 0.430 55 D N 1.260 121.642 120.400 -0.030 0.000 2.345 55 D HA 0.361 5.000 4.640 -0.001 0.000 0.247 55 D C -0.116 176.152 176.300 -0.052 0.000 1.108 55 D CA 0.342 54.322 54.000 -0.034 0.000 0.894 55 D CB 1.835 42.619 40.800 -0.027 0.000 1.203 55 D HN 0.626 nan 8.370 nan 0.000 0.430 56 T N -1.383 113.144 114.554 -0.045 0.000 2.868 56 T HA 0.557 4.907 4.350 -0.001 0.000 0.306 56 T C -0.783 173.898 174.700 -0.032 0.000 1.224 56 T CA -1.076 60.994 62.100 -0.051 0.000 1.012 56 T CB 2.675 71.519 68.868 -0.040 0.000 1.221 56 T HN 0.298 nan 8.240 nan 0.000 0.499 57 K N 1.180 121.567 120.400 -0.022 0.000 2.615 57 K HA 0.337 4.657 4.320 -0.001 0.000 0.249 57 K C -1.038 175.572 176.600 0.017 0.000 0.977 57 K CA -0.481 55.807 56.287 0.001 0.000 0.833 57 K CB 0.813 33.321 32.500 0.013 0.000 1.208 57 K HN 0.806 nan 8.250 nan 0.000 0.443 58 D N 2.567 122.980 120.400 0.022 0.000 2.772 58 D HA -0.212 4.427 4.640 -0.001 0.000 0.233 58 D C -0.369 175.956 176.300 0.042 0.000 1.143 58 D CA 1.018 55.037 54.000 0.031 0.000 0.700 58 D CB -0.779 40.042 40.800 0.035 0.000 1.076 58 D HN 0.449 nan 8.370 nan 0.000 0.430 59 L N 0.005 121.252 121.223 0.039 0.000 2.334 59 L HA 0.376 4.716 4.340 -0.001 0.000 0.275 59 L C 0.911 177.825 176.870 0.074 0.000 1.036 59 L CA -0.337 54.541 54.840 0.065 0.000 0.807 59 L CB 1.708 43.782 42.059 0.025 0.000 1.231 59 L HN -0.196 nan 8.230 nan 0.000 0.438 60 T N 3.614 118.227 114.554 0.100 0.000 2.756 60 T HA 0.468 4.818 4.350 -0.001 0.000 0.290 60 T C -0.073 174.688 174.700 0.102 0.000 0.985 60 T CA -0.377 61.774 62.100 0.085 0.000 0.955 60 T CB 0.855 69.758 68.868 0.059 0.000 0.930 60 T HN 0.160 nan 8.240 nan 0.000 0.451 61 I N 3.434 124.060 120.570 0.092 0.000 2.315 61 I HA 0.264 4.433 4.170 -0.001 0.000 0.291 61 I C 1.379 177.534 176.117 0.063 0.000 1.006 61 I CA -0.334 60.991 61.300 0.042 0.000 1.265 61 I CB 1.356 39.307 38.000 -0.082 0.000 1.387 61 I HN 0.811 nan 8.210 nan 0.000 0.475 62 E N 6.659 126.876 120.200 0.029 0.000 2.060 62 E HA -0.034 4.315 4.350 -0.001 0.000 0.189 62 E C -0.069 176.565 176.600 0.056 0.000 0.974 62 E CA 0.960 57.386 56.400 0.043 0.000 0.808 62 E CB 0.625 30.331 29.700 0.010 0.000 0.768 62 E HN 0.729 nan 8.360 nan 0.000 0.453 63 K N -1.770 118.615 120.400 -0.025 0.000 2.658 63 K HA 0.453 4.773 4.320 -0.001 0.000 0.293 63 K C -1.618 174.898 176.600 -0.139 0.000 1.026 63 K CA -0.934 55.339 56.287 -0.023 0.000 0.871 63 K CB 1.810 34.338 32.500 0.047 0.000 1.524 63 K HN -0.122 nan 8.250 nan 0.000 0.400 64 V N 1.209 121.065 119.914 -0.097 0.000 2.531 64 V HA 0.515 4.634 4.120 -0.001 0.000 0.301 64 V C -1.108 174.992 176.094 0.010 0.000 1.034 64 V CA -0.804 61.448 62.300 -0.079 0.000 0.865 64 V CB 1.709 33.455 31.823 -0.129 0.000 0.995 64 V HN 0.566 nan 8.190 nan 0.000 0.424 65 V N 6.412 126.334 119.914 0.012 0.000 2.444 65 V HA 0.587 4.707 4.120 -0.001 0.000 0.294 65 V C -0.429 175.682 176.094 0.028 0.000 1.022 65 V CA -0.335 61.981 62.300 0.027 0.000 0.850 65 V CB 1.801 33.640 31.823 0.027 0.000 0.992 65 V HN 0.721 nan 8.190 nan 0.000 0.426 66 I N 4.421 125.009 120.570 0.030 0.000 2.498 66 I HA 0.507 4.677 4.170 -0.001 0.000 0.290 66 I C 0.090 176.222 176.117 0.025 0.000 1.032 66 I CA -0.741 60.576 61.300 0.028 0.000 1.073 66 I CB 2.072 40.089 38.000 0.028 0.000 1.251 66 I HN 0.615 nan 8.210 nan 0.000 0.426 67 N N 4.346 123.058 118.700 0.021 0.000 2.725 67 N HA -0.200 4.540 4.740 -0.001 0.000 0.249 67 N C 0.868 176.388 175.510 0.017 0.000 1.103 67 N CA 1.384 54.444 53.050 0.017 0.000 0.707 67 N CB -1.141 37.355 38.487 0.016 0.000 1.043 67 N HN 1.211 nan 8.380 nan 0.000 0.553 68 G N -1.817 106.995 108.800 0.020 0.000 2.162 68 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.260 68 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.260 68 G C -0.246 174.667 174.900 0.021 0.000 0.976 68 G CA 0.706 45.817 45.100 0.019 0.000 0.655 68 G HN 0.479 nan 8.290 nan 0.000 0.533 69 Q N 0.012 119.827 119.800 0.024 0.000 2.413 69 Q HA 0.450 4.790 4.340 -0.001 0.000 0.276 69 Q C -0.211 175.811 176.000 0.036 0.000 1.099 69 Q CA -0.693 55.126 55.803 0.027 0.000 0.814 69 Q CB 1.595 30.347 28.738 0.025 0.000 1.379 69 Q HN 0.593 nan 8.270 nan 0.000 0.436 70 E N 0.930 121.155 120.200 0.042 0.000 2.373 70 E HA 0.315 4.665 4.350 -0.001 0.000 0.267 70 E C -0.052 176.590 176.600 0.070 0.000 1.032 70 E CA -0.300 56.136 56.400 0.060 0.000 0.889 70 E CB 1.072 30.813 29.700 0.068 0.000 0.984 70 E HN 0.380 nan 8.360 nan 0.000 0.425 71 V N -0.412 119.561 119.914 0.098 0.000 3.074 71 V HA 0.507 4.627 4.120 -0.001 0.000 0.314 71 V C -0.507 175.685 176.094 0.163 0.000 1.117 71 V CA -1.321 61.040 62.300 0.101 0.000 1.014 71 V CB 1.741 33.615 31.823 0.085 0.000 1.057 71 V HN 0.437 nan 8.190 nan 0.000 0.438 72 K N 1.980 122.447 120.400 0.111 0.000 2.326 72 K HA 0.568 4.888 4.320 -0.001 0.000 0.275 72 K C -0.857 175.839 176.600 0.160 0.000 1.018 72 K CA 0.212 56.543 56.287 0.074 0.000 0.962 72 K CB 0.618 33.123 32.500 0.008 0.000 0.953 72 K HN 0.875 nan 8.250 nan 0.000 0.475 73 Y N -1.042 119.264 120.300 0.009 0.000 2.609 73 Y HA 0.763 5.313 4.550 -0.001 0.000 0.336 73 Y C -1.468 174.436 175.900 0.006 0.000 1.129 73 Y CA -1.528 56.577 58.100 0.008 0.000 1.040 73 Y CB 1.274 39.741 38.460 0.012 0.000 1.310 73 Y HN 0.485 nan 8.280 nan 0.000 0.460 74 A N 2.494 125.320 122.820 0.010 0.000 2.515 74 A HA 0.767 5.086 4.320 -0.001 0.000 0.298 74 A C -2.032 175.602 177.584 0.083 0.000 1.059 74 A CA -0.930 51.073 52.037 -0.057 0.000 0.698 74 A CB 1.479 20.444 19.000 -0.059 0.000 1.289 74 A HN 0.811 nan 8.150 nan 0.000 0.404 75 L N 2.199 123.462 121.223 0.066 0.000 2.282 75 L HA 0.572 4.912 4.340 -0.001 0.000 0.288 75 L C 1.157 178.042 176.870 0.026 0.000 1.033 75 L CA -0.421 54.461 54.840 0.071 0.000 0.807 75 L CB 1.660 43.771 42.059 0.088 0.000 1.209 75 L HN 0.918 nan 8.230 nan 0.000 0.423 76 G N 1.655 110.467 108.800 0.019 0.000 2.651 76 G HA2 0.146 4.106 3.960 -0.001 0.000 0.260 76 G HA3 0.146 4.106 3.960 -0.001 0.000 0.260 76 G C -0.335 174.565 174.900 -0.001 0.000 1.216 76 G CA -0.433 44.669 45.100 0.003 0.000 0.913 76 G HN 0.664 nan 8.290 nan 0.000 0.535 77 E N -0.836 119.360 120.200 -0.007 0.000 2.415 77 E HA 0.121 4.470 4.350 -0.001 0.000 0.262 77 E C 0.737 177.326 176.600 -0.018 0.000 1.038 77 E CA -0.350 56.044 56.400 -0.010 0.000 0.921 77 E CB 0.486 30.178 29.700 -0.012 0.000 0.950 77 E HN 0.417 nan 8.360 nan 0.000 0.438 78 R N 2.645 123.134 120.500 -0.018 0.000 2.442 78 R HA -0.003 4.336 4.340 -0.001 0.000 0.291 78 R C -0.365 175.905 176.300 -0.050 0.000 1.069 78 R CA 0.308 56.390 56.100 -0.030 0.000 1.022 78 R CB 0.497 30.785 30.300 -0.018 0.000 0.976 78 R HN 0.544 nan 8.270 nan 0.000 0.443 79 Q N 3.688 123.436 119.800 -0.086 0.000 2.923 79 Q HA 0.112 4.452 4.340 -0.001 0.000 0.363 79 Q C 0.025 175.895 176.000 -0.216 0.000 1.159 79 Q CA -0.182 55.542 55.803 -0.132 0.000 1.073 79 Q CB 0.935 29.586 28.738 -0.145 0.000 1.364 79 Q HN 0.999 nan 8.270 nan 0.000 0.466 80 S N 0.692 116.318 115.700 -0.125 0.000 4.054 80 S HA -0.369 4.101 4.470 -0.001 0.000 0.618 80 S C 1.013 175.548 174.600 -0.108 0.000 2.026 80 S CA 1.927 60.075 58.200 -0.085 0.000 4.205 80 S CB -1.170 61.998 63.200 -0.053 0.000 0.233 80 S HN 0.811 nan 8.310 nan 0.000 0.612 81 Y N 1.032 121.334 120.300 0.003 0.000 2.483 81 Y HA 0.271 4.821 4.550 -0.001 0.000 0.291 81 Y C 2.040 177.919 175.900 -0.035 0.000 1.143 81 Y CA 1.337 59.431 58.100 -0.010 0.000 1.289 81 Y CB -0.590 37.860 38.460 -0.016 0.000 0.983 81 Y HN 0.420 nan 8.280 nan 0.000 0.556 82 K N 0.980 121.052 120.400 -0.547 0.000 2.365 82 K HA 0.214 4.534 4.320 -0.001 0.000 0.199 82 K C 1.310 177.828 176.600 -0.137 0.000 1.045 82 K CA 0.547 56.658 56.287 -0.294 0.000 0.962 82 K CB -0.271 32.016 32.500 -0.354 0.000 0.759 82 K HN 0.635 nan 8.250 nan 0.000 0.469 83 G N 0.505 109.239 108.800 -0.110 0.000 2.542 83 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.235 83 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.235 83 G C -0.762 174.104 174.900 -0.056 0.000 1.286 83 G CA -0.469 44.598 45.100 -0.055 0.000 0.904 83 G HN 0.154 nan 8.290 nan 0.000 0.577 84 S N 2.858 118.539 115.700 -0.032 0.000 2.519 84 S HA 0.710 5.179 4.470 -0.001 0.000 0.309 84 S C -2.560 172.032 174.600 -0.013 0.000 1.100 84 S CA -0.643 57.544 58.200 -0.021 0.000 1.059 84 S CB 2.693 65.892 63.200 -0.002 0.000 1.008 84 S HN 0.748 nan 8.310 nan 0.000 0.478 85 P HA 0.150 nan 4.420 nan 0.000 0.271 85 P C -0.998 176.313 177.300 0.020 0.000 1.216 85 P CA -0.310 62.788 63.100 -0.002 0.000 0.771 85 P CB 0.509 32.206 31.700 -0.005 0.000 0.864 86 M N 2.749 122.364 119.600 0.025 0.000 2.043 86 M HA 0.240 4.719 4.480 -0.001 0.000 0.322 86 M C -0.136 176.201 176.300 0.062 0.000 0.962 86 M CA -0.504 54.832 55.300 0.060 0.000 0.927 86 M CB 0.816 33.440 32.600 0.040 0.000 1.466 86 M HN 0.311 nan 8.290 nan 0.000 0.412 87 E N 5.221 125.469 120.200 0.079 0.000 2.227 87 E HA 0.433 4.783 4.350 -0.001 0.000 0.282 87 E C -1.455 175.210 176.600 0.108 0.000 1.015 87 E CA -0.368 56.073 56.400 0.068 0.000 0.823 87 E CB 1.101 30.828 29.700 0.045 0.000 1.081 87 E HN 0.725 nan 8.360 nan 0.000 0.396 88 I N 3.032 123.653 120.570 0.086 0.000 2.436 88 I HA 0.161 4.330 4.170 -0.001 0.000 0.289 88 I C -0.385 175.776 176.117 0.072 0.000 1.010 88 I CA -0.659 60.704 61.300 0.105 0.000 1.098 88 I CB 2.074 40.117 38.000 0.072 0.000 1.266 88 I HN 0.343 nan 8.210 nan 0.000 0.434 89 S N 6.981 122.727 115.700 0.077 0.000 2.439 89 S HA 0.460 4.929 4.470 -0.001 0.000 0.282 89 S C -0.017 174.611 174.600 0.046 0.000 1.170 89 S CA -0.602 57.628 58.200 0.050 0.000 1.054 89 S CB 0.361 63.585 63.200 0.041 0.000 0.956 89 S HN 0.330 nan 8.310 nan 0.000 0.490 90 L N 5.768 127.012 121.223 0.034 0.000 2.380 90 L HA 0.233 4.573 4.340 -0.001 0.000 0.273 90 L C -0.870 176.016 176.870 0.026 0.000 1.138 90 L CA -1.503 53.355 54.840 0.030 0.000 0.832 90 L CB 0.341 42.414 42.059 0.023 0.000 1.124 90 L HN 0.453 nan 8.230 nan 0.000 0.454 91 P HA 0.023 nan 4.420 nan 0.000 0.222 91 P C 0.184 177.494 177.300 0.017 0.000 1.153 91 P CA 1.166 64.280 63.100 0.022 0.000 0.798 91 P CB 0.605 32.319 31.700 0.023 0.000 0.796 92 I N -0.533 120.046 120.570 0.016 0.000 2.533 92 I HA 0.426 4.595 4.170 -0.001 0.000 0.290 92 I C -0.059 176.065 176.117 0.011 0.000 1.056 92 I CA -1.604 59.704 61.300 0.012 0.000 1.057 92 I CB 2.205 40.211 38.000 0.010 0.000 1.240 92 I HN -0.203 nan 8.210 nan 0.000 0.423 93 A N 7.221 130.047 122.820 0.010 0.000 2.520 93 A HA 0.434 4.754 4.320 -0.001 0.000 0.245 93 A C -0.287 177.302 177.584 0.008 0.000 1.072 93 A CA 0.176 52.218 52.037 0.009 0.000 0.761 93 A CB 0.046 19.050 19.000 0.007 0.000 1.004 93 A HN 0.664 nan 8.150 nan 0.000 0.499 94 L N 2.768 123.995 121.223 0.008 0.000 2.325 94 L HA 0.401 4.740 4.340 -0.001 0.000 0.279 94 L C 0.926 177.799 176.870 0.005 0.000 1.054 94 L CA -0.510 54.334 54.840 0.007 0.000 0.804 94 L CB 1.693 43.757 42.059 0.008 0.000 1.200 94 L HN 0.906 nan 8.230 nan 0.000 0.436 95 S N 1.590 117.292 115.700 0.004 0.000 2.669 95 S HA 0.289 4.759 4.470 -0.001 0.000 0.270 95 S C -0.252 174.350 174.600 0.002 0.000 1.225 95 S CA -0.912 57.289 58.200 0.003 0.000 0.991 95 S CB 1.331 64.532 63.200 0.001 0.000 0.987 95 S HN 0.564 nan 8.310 nan 0.000 0.552 96 K N 0.710 121.112 120.400 0.002 0.000 2.489 96 K HA 0.001 4.321 4.320 -0.001 0.000 0.278 96 K C 0.033 176.633 176.600 -0.000 0.000 1.000 96 K CA 0.406 56.694 56.287 0.001 0.000 1.012 96 K CB -0.169 32.331 32.500 0.001 0.000 0.903 96 K HN 0.699 nan 8.250 nan 0.000 0.485 97 N N 1.144 119.844 118.700 0.000 0.000 2.936 97 N HA -0.239 4.500 4.740 -0.001 0.000 0.236 97 N C -0.582 174.927 175.510 -0.002 0.000 0.930 97 N CA 1.006 54.055 53.050 -0.002 0.000 0.966 97 N CB -0.841 37.644 38.487 -0.004 0.000 1.090 97 N HN 0.781 nan 8.380 nan 0.000 0.592 98 Q N 1.046 120.846 119.800 0.000 0.000 2.327 98 Q HA 0.216 4.556 4.340 -0.001 0.000 0.254 98 Q C -0.591 175.411 176.000 0.003 0.000 0.952 98 Q CA 0.343 56.146 55.803 0.001 0.000 0.884 98 Q CB 0.639 29.378 28.738 0.002 0.000 1.224 98 Q HN 0.155 nan 8.270 nan 0.000 0.422 99 E N 3.653 123.855 120.200 0.003 0.000 2.199 99 E HA 0.487 4.836 4.350 -0.001 0.000 0.269 99 E C -0.711 175.895 176.600 0.009 0.000 0.899 99 E CA -0.570 55.834 56.400 0.007 0.000 0.772 99 E CB 1.613 31.316 29.700 0.004 0.000 1.155 99 E HN 0.591 nan 8.360 nan 0.000 0.408 100 I N -1.900 118.679 120.570 0.015 0.000 3.145 100 I HA 0.640 4.809 4.170 -0.001 0.000 0.313 100 I C -0.980 175.153 176.117 0.026 0.000 1.122 100 I CA -1.267 60.043 61.300 0.017 0.000 0.987 100 I CB 1.851 39.862 38.000 0.017 0.000 1.236 100 I HN 0.140 nan 8.210 nan 0.000 0.453 101 V N 4.034 123.965 119.914 0.028 0.000 2.398 101 V HA 0.469 4.588 4.120 -0.001 0.000 0.286 101 V C -0.059 176.058 176.094 0.038 0.000 1.026 101 V CA -0.335 61.989 62.300 0.041 0.000 0.868 101 V CB 1.325 33.174 31.823 0.044 0.000 0.982 101 V HN 0.467 nan 8.190 nan 0.000 0.443 102 I N 4.084 124.678 120.570 0.040 0.000 2.354 102 I HA 0.407 4.576 4.170 -0.001 0.000 0.286 102 I C 0.125 176.264 176.117 0.036 0.000 1.007 102 I CA -0.277 61.041 61.300 0.030 0.000 1.167 102 I CB 1.541 39.553 38.000 0.019 0.000 1.320 102 I HN 0.648 nan 8.210 nan 0.000 0.458 103 E N 7.698 127.920 120.200 0.038 0.000 2.081 103 E HA 0.433 4.783 4.350 -0.001 0.000 0.281 103 E C -0.954 175.664 176.600 0.029 0.000 0.986 103 E CA -0.532 55.897 56.400 0.049 0.000 0.796 103 E CB 0.919 30.652 29.700 0.056 0.000 1.085 103 E HN 0.525 nan 8.360 nan 0.000 0.398 104 I N 3.431 124.027 120.570 0.043 0.000 2.321 104 I HA 0.169 4.339 4.170 -0.001 0.000 0.291 104 I C -0.086 176.113 176.117 0.136 0.000 0.998 104 I CA -0.589 60.729 61.300 0.030 0.000 1.227 104 I CB 1.794 39.788 38.000 -0.009 0.000 1.368 104 I HN 0.348 nan 8.210 nan 0.000 0.466 105 S N 7.016 122.752 115.700 0.061 0.000 2.489 105 S HA 0.631 5.101 4.470 -0.001 0.000 0.277 105 S C -0.487 174.165 174.600 0.088 0.000 1.230 105 S CA -0.452 57.769 58.200 0.034 0.000 1.053 105 S CB 0.345 63.532 63.200 -0.021 0.000 0.955 105 S HN 0.482 nan 8.310 nan 0.000 0.488 106 F N 0.375 120.294 119.950 -0.052 0.000 2.685 106 F HA 0.819 5.345 4.527 -0.001 0.000 0.315 106 F C -0.826 174.957 175.800 -0.029 0.000 1.126 106 F CA -1.155 56.816 58.000 -0.047 0.000 0.950 106 F CB 1.331 40.298 39.000 -0.055 0.000 1.360 106 F HN 0.431 nan 8.300 nan 0.000 0.469 107 E N 0.631 120.914 120.200 0.139 0.000 2.331 107 E HA 0.440 4.790 4.350 -0.001 0.000 0.275 107 E C -1.265 175.467 176.600 0.221 0.000 0.895 107 E CA -0.974 55.460 56.400 0.057 0.000 0.753 107 E CB 2.342 32.035 29.700 -0.012 0.000 1.216 107 E HN 0.914 nan 8.360 nan 0.000 0.434 108 T N 0.115 114.792 114.554 0.204 0.000 2.882 108 T HA 0.308 4.658 4.350 -0.001 0.000 0.287 108 T C 0.432 175.187 174.700 0.091 0.000 1.014 108 T CA -0.739 61.465 62.100 0.174 0.000 1.049 108 T CB 1.572 70.563 68.868 0.205 0.000 1.001 108 T HN 0.251 nan 8.240 nan 0.000 0.525 109 S N 1.508 117.253 115.700 0.075 0.000 2.584 109 S HA 0.333 4.803 4.470 -0.001 0.000 0.273 109 S C -1.611 173.010 174.600 0.035 0.000 1.311 109 S CA -1.618 56.602 58.200 0.033 0.000 1.034 109 S CB 0.416 63.635 63.200 0.030 0.000 0.939 109 S HN 0.578 nan 8.310 nan 0.000 0.513 110 P HA 0.016 nan 4.420 nan 0.000 0.221 110 P C 0.298 177.609 177.300 0.019 0.000 1.145 110 P CA 0.959 64.001 63.100 -0.097 0.000 0.795 110 P CB 0.118 31.707 31.700 -0.185 0.000 0.775 111 K N -0.761 119.649 120.400 0.017 0.000 2.458 111 K HA 0.108 4.428 4.320 -0.001 0.000 0.194 111 K C 0.426 177.043 176.600 0.028 0.000 1.024 111 K CA -0.022 56.277 56.287 0.019 0.000 1.108 111 K CB -0.658 31.847 32.500 0.007 0.000 0.846 111 K HN -0.059 nan 8.250 nan 0.000 0.518 112 S N 0.988 116.725 115.700 0.062 0.000 2.737 112 S HA -0.085 4.384 4.470 -0.001 0.000 0.315 112 S C 1.330 175.921 174.600 -0.016 0.000 1.236 112 S CA 0.182 58.411 58.200 0.049 0.000 1.093 112 S CB 0.180 63.429 63.200 0.082 0.000 0.832 112 S HN 0.484 nan 8.310 nan 0.000 0.507 113 S N 4.498 120.199 115.700 0.002 0.000 2.469 113 S HA -0.044 4.425 4.470 -0.001 0.000 0.238 113 S C 1.842 176.299 174.600 -0.238 0.000 0.998 113 S CA 0.590 58.743 58.200 -0.079 0.000 0.957 113 S CB -0.445 62.809 63.200 0.090 0.000 0.764 113 S HN 0.952 nan 8.310 nan 0.000 0.514 114 A N 1.022 123.788 122.820 -0.090 0.000 2.016 114 A HA 0.421 4.740 4.320 -0.001 0.000 0.217 114 A C 0.946 178.453 177.584 -0.128 0.000 1.162 114 A CA 0.383 52.378 52.037 -0.070 0.000 0.662 114 A CB -0.269 18.744 19.000 0.021 0.000 0.812 114 A HN 0.556 nan 8.150 nan 0.000 0.450 115 L N -0.636 120.460 121.223 -0.213 0.000 2.334 115 L HA 0.471 4.811 4.340 -0.001 0.000 0.273 115 L C -0.180 176.377 176.870 -0.522 0.000 1.013 115 L CA -0.516 54.110 54.840 -0.358 0.000 0.816 115 L CB 1.847 43.708 42.059 -0.329 0.000 1.278 115 L HN 0.285 nan 8.230 nan 0.000 0.431 116 Q N 1.350 120.696 119.800 -0.756 0.000 2.331 116 Q HA 0.350 4.689 4.340 -0.001 0.000 0.267 116 Q C -1.935 173.785 176.000 -0.467 0.000 1.006 116 Q CA -0.658 54.781 55.803 -0.607 0.000 0.818 116 Q CB 1.737 30.072 28.738 -0.671 0.000 1.276 116 Q HN 0.474 nan 8.270 nan 0.000 0.450 117 W N 4.826 126.055 121.300 -0.119 0.000 2.391 117 W HA 0.472 5.131 4.660 -0.001 0.000 0.311 117 W C -0.804 175.773 176.519 0.097 0.000 1.087 117 W CA -0.395 56.974 57.345 0.040 0.000 1.209 117 W CB 0.852 30.332 29.460 0.034 0.000 1.273 117 W HN 0.397 nan 8.180 nan 0.000 0.482 118 L N 3.839 125.295 121.223 0.389 0.000 2.322 118 L HA 0.514 4.854 4.340 -0.001 0.000 0.281 118 L C 0.890 177.923 176.870 0.272 0.000 1.014 118 L CA -1.002 54.007 54.840 0.282 0.000 0.815 118 L CB 1.460 43.668 42.059 0.249 0.000 1.247 118 L HN 0.439 nan 8.230 nan 0.000 0.421 119 T N -0.882 113.782 114.554 0.183 0.000 2.813 119 T HA 0.192 4.542 4.350 -0.001 0.000 0.297 119 T C -1.879 172.880 174.700 0.098 0.000 1.036 119 T CA -1.404 60.774 62.100 0.129 0.000 1.044 119 T CB 1.022 69.940 68.868 0.083 0.000 0.993 119 T HN 0.328 nan 8.240 nan 0.000 0.535 120 P HA -0.122 nan 4.420 nan 0.000 0.216 120 P C 1.526 178.846 177.300 0.033 0.000 1.153 120 P CA 1.040 64.161 63.100 0.035 0.000 0.858 120 P CB 0.024 31.717 31.700 -0.012 0.000 0.789 121 E N -0.467 119.750 120.200 0.028 0.000 2.265 121 E HA -0.167 4.182 4.350 -0.001 0.000 0.196 121 E C 1.692 178.313 176.600 0.034 0.000 0.996 121 E CA 0.995 57.409 56.400 0.024 0.000 0.832 121 E CB -0.575 29.135 29.700 0.017 0.000 0.756 121 E HN 0.521 nan 8.360 nan 0.000 0.491 122 Q N 0.456 120.285 119.800 0.049 0.000 2.403 122 Q HA 0.026 4.366 4.340 -0.001 0.000 0.203 122 Q C 0.599 176.617 176.000 0.029 0.000 0.932 122 Q CA 0.311 56.146 55.803 0.053 0.000 0.945 122 Q CB 0.384 29.171 28.738 0.080 0.000 1.045 122 Q HN 0.219 nan 8.270 nan 0.000 0.511 123 T N -4.329 110.241 114.554 0.026 0.000 2.923 123 T HA 0.317 4.667 4.350 -0.001 0.000 0.281 123 T C 1.114 175.818 174.700 0.007 0.000 0.995 123 T CA -0.639 61.458 62.100 -0.004 0.000 0.985 123 T CB 1.716 70.614 68.868 0.051 0.000 1.114 123 T HN -0.176 nan 8.240 nan 0.000 0.548 124 S N 0.575 116.276 115.700 0.001 0.000 2.355 124 S HA 0.053 4.522 4.470 -0.001 0.000 0.222 124 S C 2.294 176.915 174.600 0.034 0.000 1.031 124 S CA 1.245 59.456 58.200 0.018 0.000 0.993 124 S CB -1.018 62.194 63.200 0.020 0.000 0.859 124 S HN 0.957 nan 8.310 nan 0.000 0.453 125 G N 0.783 109.617 108.800 0.057 0.000 2.448 125 G HA2 -0.080 3.880 3.960 -0.001 0.000 0.218 125 G HA3 -0.080 3.880 3.960 -0.001 0.000 0.218 125 G C 0.476 175.397 174.900 0.034 0.000 1.135 125 G CA 0.635 45.772 45.100 0.062 0.000 0.784 125 G HN 0.344 nan 8.290 nan 0.000 0.543 126 K N -1.791 118.626 120.400 0.029 0.000 3.472 126 K HA -0.257 4.063 4.320 -0.001 0.000 0.315 126 K C 1.223 177.799 176.600 -0.041 0.000 1.320 126 K CA 1.699 57.987 56.287 0.002 0.000 0.962 126 K CB -1.956 30.544 32.500 -0.000 0.000 1.251 126 K HN 0.668 nan 8.250 nan 0.000 0.443 127 E N 0.882 121.035 120.200 -0.079 0.000 2.413 127 E HA 0.042 4.392 4.350 -0.001 0.000 0.203 127 E C 0.464 176.771 176.600 -0.488 0.000 0.957 127 E CA 0.516 56.752 56.400 -0.273 0.000 0.950 127 E CB 0.047 29.547 29.700 -0.333 0.000 0.957 127 E HN 0.484 nan 8.360 nan 0.000 0.497 128 H N -0.932 118.136 119.070 -0.005 0.000 2.895 128 H HA 0.446 5.001 4.556 -0.001 0.000 0.373 128 H C -2.623 172.672 175.328 -0.054 0.000 1.174 128 H CA -1.874 54.145 56.048 -0.049 0.000 1.144 128 H CB 2.494 32.229 29.762 -0.045 0.000 1.793 128 H HN 0.121 nan 8.280 nan 0.000 0.551 129 P HA 0.183 nan 4.420 nan 0.000 0.289 129 P C -1.109 176.189 177.300 -0.003 0.000 1.299 129 P CA -0.177 62.877 63.100 -0.076 0.000 0.766 129 P CB 1.552 33.066 31.700 -0.311 0.000 1.226 130 Y N -1.081 119.267 120.300 0.081 0.000 2.521 130 Y HA 0.538 5.087 4.550 -0.001 0.000 0.332 130 Y C -1.835 174.266 175.900 0.335 0.000 1.121 130 Y CA -1.055 57.166 58.100 0.201 0.000 1.037 130 Y CB 1.447 39.996 38.460 0.147 0.000 1.330 130 Y HN 0.311 nan 8.280 nan 0.000 0.452 131 L N 7.214 128.597 121.223 0.266 0.000 2.408 131 L HA 0.824 5.163 4.340 -0.001 0.000 0.268 131 L C -1.970 174.897 176.870 -0.006 0.000 0.986 131 L CA -0.837 53.948 54.840 -0.093 0.000 0.820 131 L CB 1.523 43.242 42.059 -0.567 0.000 1.303 131 L HN 0.480 nan 8.230 nan 0.000 0.411 132 F N 1.807 121.714 119.950 -0.071 0.000 2.613 132 F HA 0.901 5.427 4.527 -0.001 0.000 0.310 132 F C -0.686 175.136 175.800 0.036 0.000 1.085 132 F CA -0.540 57.471 58.000 0.017 0.000 0.945 132 F CB 1.284 40.384 39.000 0.167 0.000 1.298 132 F HN 0.615 nan 8.300 nan 0.000 0.455 133 S N 1.690 117.595 115.700 0.341 0.000 2.638 133 S HA 0.748 5.217 4.470 -0.001 0.000 0.298 133 S C -0.987 173.867 174.600 0.422 0.000 1.111 133 S CA -0.565 57.758 58.200 0.205 0.000 1.027 133 S CB 1.857 65.091 63.200 0.056 0.000 1.064 133 S HN 0.975 nan 8.310 nan 0.000 0.525 134 Q N 0.815 120.782 119.800 0.278 0.000 2.483 134 Q HA 0.446 4.786 4.340 -0.001 0.000 0.245 134 Q C -0.703 175.378 176.000 0.135 0.000 0.902 134 Q CA -0.507 55.455 55.803 0.265 0.000 0.767 134 Q CB 0.494 29.472 28.738 0.401 0.000 1.341 134 Q HN 0.765 nan 8.270 nan 0.000 0.453 135 C N 2.128 121.484 119.300 0.093 0.000 2.507 135 C HA 0.163 4.622 4.460 -0.001 0.000 0.280 135 C C 1.002 176.062 174.990 0.116 0.000 1.345 135 C CA 0.129 59.218 59.018 0.119 0.000 1.736 135 C CB -0.136 27.644 27.740 0.066 0.000 2.060 135 C HN 0.803 nan 8.230 nan 0.000 0.498 136 Q N 0.418 120.244 119.800 0.043 0.000 2.300 136 Q HA 0.296 4.636 4.340 -0.001 0.000 0.280 136 Q C 0.807 176.626 176.000 -0.301 0.000 1.033 136 Q CA 0.234 55.932 55.803 -0.175 0.000 0.903 136 Q CB 0.881 29.479 28.738 -0.234 0.000 1.195 136 Q HN 0.542 nan 8.270 nan 0.000 0.386 137 A N 4.900 127.375 122.820 -0.576 0.000 1.862 137 A HA 0.045 4.365 4.320 -0.001 0.000 0.211 137 A C 1.168 178.431 177.584 -0.535 0.000 1.220 137 A CA 0.831 52.214 52.037 -1.091 0.000 0.616 137 A CB 0.018 17.947 19.000 -1.785 0.000 0.878 137 A HN 0.836 nan 8.150 nan 0.000 0.453 138 I N -4.742 115.520 120.570 -0.514 0.000 3.158 138 I HA 0.441 4.610 4.170 -0.001 0.000 0.344 138 I C 0.119 175.991 176.117 -0.407 0.000 1.459 138 I CA -0.298 60.821 61.300 -0.301 0.000 0.956 138 I CB 0.187 38.068 38.000 -0.198 0.000 1.793 138 I HN 0.151 nan 8.210 nan 0.000 0.522 139 H N -0.318 118.730 119.070 -0.037 0.000 2.652 139 H HA 0.177 4.732 4.556 -0.001 0.000 0.274 139 H C 1.815 177.129 175.328 -0.022 0.000 1.021 139 H CA 0.072 56.108 56.048 -0.021 0.000 1.187 139 H CB 0.670 30.424 29.762 -0.015 0.000 1.505 139 H HN 0.680 nan 8.280 nan 0.000 0.530 140 C N 2.214 121.550 119.300 0.060 0.000 2.425 140 C HA -0.137 4.323 4.460 -0.001 0.000 0.277 140 C C 3.011 177.973 174.990 -0.046 0.000 1.280 140 C CA 1.151 60.167 59.018 -0.002 0.000 1.744 140 C CB -0.682 27.049 27.740 -0.014 0.000 1.989 140 C HN 0.638 nan 8.230 nan 0.000 0.491 141 R N 1.068 121.545 120.500 -0.038 0.000 2.249 141 R HA -0.045 4.295 4.340 -0.001 0.000 0.230 141 R C 1.755 178.023 176.300 -0.054 0.000 1.121 141 R CA 1.742 57.804 56.100 -0.063 0.000 0.997 141 R CB -0.636 29.636 30.300 -0.046 0.000 0.867 141 R HN 0.502 nan 8.270 nan 0.000 0.465 142 A N 0.674 123.492 122.820 -0.005 0.000 2.251 142 A HA 0.216 4.535 4.320 -0.001 0.000 0.209 142 A C 1.762 179.348 177.584 0.003 0.000 1.187 142 A CA 0.187 52.236 52.037 0.021 0.000 0.823 142 A CB -0.060 18.992 19.000 0.085 0.000 0.846 142 A HN 0.337 nan 8.150 nan 0.000 0.486 143 I N -1.205 119.336 120.570 -0.048 0.000 3.194 143 I HA 0.204 4.374 4.170 -0.001 0.000 0.271 143 I C 0.072 176.048 176.117 -0.234 0.000 1.150 143 I CA 0.380 61.645 61.300 -0.059 0.000 1.440 143 I CB 0.408 38.366 38.000 -0.070 0.000 1.276 143 I HN 0.368 nan 8.210 nan 0.000 0.457 144 L N -2.903 118.093 121.223 -0.379 0.000 2.540 144 L HA 0.672 5.011 4.340 -0.001 0.000 0.256 144 L C -3.176 173.414 176.870 -0.466 0.000 1.001 144 L CA -1.989 52.396 54.840 -0.758 0.000 0.843 144 L CB 0.833 42.470 42.059 -0.704 0.000 1.436 144 L HN -0.293 nan 8.230 nan 0.000 0.410 145 P HA 0.437 nan 4.420 nan 0.000 0.276 145 P C -0.964 176.225 177.300 -0.184 0.000 1.235 145 P CA -0.305 62.644 63.100 -0.251 0.000 0.772 145 P CB 0.702 32.276 31.700 -0.209 0.000 0.871 146 C N 0.563 119.791 119.300 -0.121 0.000 3.292 146 C HA 0.365 4.824 4.460 -0.001 0.000 0.338 146 C C -0.783 174.179 174.990 -0.048 0.000 1.323 146 C CA -0.954 58.013 59.018 -0.085 0.000 1.232 146 C CB 0.790 28.472 27.740 -0.096 0.000 1.517 146 C HN 0.461 nan 8.230 nan 0.000 0.470 147 Q N 1.142 120.925 119.800 -0.029 0.000 2.431 147 Q HA 0.177 4.517 4.340 -0.001 0.000 0.234 147 Q C -0.493 175.511 176.000 0.007 0.000 1.203 147 Q CA 0.335 56.132 55.803 -0.009 0.000 0.902 147 Q CB 0.213 28.948 28.738 -0.004 0.000 1.455 147 Q HN 0.607 nan 8.270 nan 0.000 0.515 148 D N 2.419 122.829 120.400 0.017 0.000 2.688 148 D HA 0.036 4.676 4.640 -0.001 0.000 0.228 148 D C -0.931 175.436 176.300 0.111 0.000 1.116 148 D CA 0.266 54.300 54.000 0.056 0.000 1.023 148 D CB 0.127 40.949 40.800 0.036 0.000 1.100 148 D HN 0.302 nan 8.370 nan 0.000 0.487 149 T N 0.658 115.266 114.554 0.088 0.000 2.993 149 T HA 0.379 4.728 4.350 -0.001 0.000 0.312 149 T C -2.446 172.256 174.700 0.002 0.000 1.115 149 T CA -1.596 60.530 62.100 0.043 0.000 1.027 149 T CB 2.035 70.904 68.868 0.001 0.000 1.116 149 T HN -0.098 nan 8.240 nan 0.000 0.464 150 P HA 0.084 nan 4.420 nan 0.000 0.245 150 P C 1.121 178.360 177.300 -0.102 0.000 1.212 150 P CA 0.201 63.244 63.100 -0.096 0.000 0.774 150 P CB -0.076 31.393 31.700 -0.385 0.000 0.999 151 S N -1.688 113.951 115.700 -0.102 0.000 2.561 151 S HA 0.064 4.533 4.470 -0.001 0.000 0.225 151 S C 0.806 175.386 174.600 -0.034 0.000 0.977 151 S CA -0.011 58.147 58.200 -0.070 0.000 0.926 151 S CB -0.644 62.520 63.200 -0.059 0.000 0.769 151 S HN -0.069 nan 8.310 nan 0.000 0.533 152 V N 1.835 121.737 119.914 -0.020 0.000 2.495 152 V HA 0.478 4.598 4.120 -0.001 0.000 0.298 152 V C -0.420 175.675 176.094 0.002 0.000 1.031 152 V CA -0.749 61.548 62.300 -0.005 0.000 0.871 152 V CB 1.839 33.662 31.823 -0.000 0.000 0.988 152 V HN 0.238 nan 8.190 nan 0.000 0.432 153 K N 5.587 125.994 120.400 0.012 0.000 2.345 153 K HA 0.815 5.135 4.320 -0.001 0.000 0.255 153 K C -1.277 175.344 176.600 0.035 0.000 0.934 153 K CA -0.636 55.666 56.287 0.024 0.000 0.801 153 K CB 2.445 34.968 32.500 0.039 0.000 1.137 153 K HN 0.650 nan 8.250 nan 0.000 0.424 154 L N -1.175 120.075 121.223 0.046 0.000 2.424 154 L HA 0.630 4.969 4.340 -0.001 0.000 0.258 154 L C -0.034 176.892 176.870 0.093 0.000 0.995 154 L CA -0.965 53.913 54.840 0.063 0.000 0.821 154 L CB 1.808 43.894 42.059 0.044 0.000 1.383 154 L HN 0.572 nan 8.230 nan 0.000 0.410 155 T N -1.234 113.392 114.554 0.119 0.000 2.847 155 T HA 0.699 5.048 4.350 -0.001 0.000 0.279 155 T C -0.603 174.103 174.700 0.010 0.000 0.984 155 T CA -0.283 61.896 62.100 0.131 0.000 0.988 155 T CB 1.197 70.200 68.868 0.225 0.000 1.040 155 T HN 0.906 nan 8.240 nan 0.000 0.528 156 Y N -1.746 118.458 120.300 -0.160 0.000 2.638 156 Y HA 0.711 5.261 4.550 -0.001 0.000 0.335 156 Y C -0.871 175.005 175.900 -0.040 0.000 1.155 156 Y CA -1.183 56.678 58.100 -0.398 0.000 1.046 156 Y CB 1.035 39.346 38.460 -0.247 0.000 1.303 156 Y HN 1.015 nan 8.280 nan 0.000 0.460 157 T N 0.036 114.735 114.554 0.241 0.000 2.906 157 T HA 0.981 5.331 4.350 -0.001 0.000 0.295 157 T C -0.843 174.124 174.700 0.444 0.000 1.061 157 T CA -0.339 61.989 62.100 0.380 0.000 1.000 157 T CB 1.712 70.884 68.868 0.507 0.000 1.103 157 T HN 1.682 nan 8.240 nan 0.000 0.486 158 A N 1.164 124.226 122.820 0.403 0.000 2.594 158 A HA 0.766 5.086 4.320 -0.001 0.000 0.295 158 A C -1.443 176.327 177.584 0.310 0.000 1.071 158 A CA -0.980 51.218 52.037 0.268 0.000 0.685 158 A CB 1.515 20.712 19.000 0.329 0.000 1.285 158 A HN 0.849 nan 8.150 nan 0.000 0.405 159 E N 0.698 121.002 120.200 0.172 0.000 2.255 159 E HA 0.505 4.854 4.350 -0.001 0.000 0.256 159 E C -1.556 175.138 176.600 0.157 0.000 0.887 159 E CA -0.591 55.911 56.400 0.170 0.000 0.782 159 E CB 2.286 32.065 29.700 0.132 0.000 1.214 159 E HN 0.356 nan 8.360 nan 0.000 0.417 160 V N 2.197 122.255 119.914 0.239 0.000 2.407 160 V HA 0.276 4.396 4.120 -0.001 0.000 0.291 160 V C -0.092 176.121 176.094 0.199 0.000 1.018 160 V CA -0.712 61.716 62.300 0.214 0.000 0.842 160 V CB 1.623 33.615 31.823 0.282 0.000 0.996 160 V HN 0.576 nan 8.190 nan 0.000 0.426 161 S N 4.869 120.644 115.700 0.124 0.000 2.475 161 S HA 0.740 5.210 4.470 -0.001 0.000 0.281 161 S C -0.452 174.234 174.600 0.142 0.000 1.198 161 S CA -0.416 57.851 58.200 0.113 0.000 1.063 161 S CB 0.960 64.198 63.200 0.063 0.000 0.972 161 S HN 1.047 nan 8.310 nan 0.000 0.486 162 V N 2.536 122.563 119.914 0.190 0.000 3.040 162 V HA 0.774 4.894 4.120 -0.001 0.000 0.312 162 V C -3.019 173.198 176.094 0.205 0.000 1.115 162 V CA -3.015 59.424 62.300 0.232 0.000 0.998 162 V CB 1.155 33.151 31.823 0.288 0.000 1.042 162 V HN 0.607 nan 8.190 nan 0.000 0.433 163 P HA 0.101 nan 4.420 nan 0.000 0.262 163 P C 0.566 177.942 177.300 0.127 0.000 1.182 163 P CA 0.134 63.330 63.100 0.159 0.000 0.761 163 P CB 0.332 32.129 31.700 0.161 0.000 0.795 164 K N 4.249 124.703 120.400 0.091 0.000 2.360 164 K HA -0.170 4.149 4.320 -0.001 0.000 0.201 164 K C 0.997 177.639 176.600 0.070 0.000 1.046 164 K CA 1.233 57.564 56.287 0.073 0.000 0.945 164 K CB -0.202 32.321 32.500 0.038 0.000 0.750 164 K HN 0.387 nan 8.250 nan 0.000 0.464 165 E N 1.452 121.676 120.200 0.039 0.000 2.358 165 E HA -0.022 4.327 4.350 -0.001 0.000 0.195 165 E C 0.799 177.339 176.600 -0.099 0.000 1.010 165 E CA 0.288 56.670 56.400 -0.030 0.000 0.856 165 E CB -0.227 29.444 29.700 -0.049 0.000 0.795 165 E HN 0.377 nan 8.360 nan 0.000 0.504 166 L N 0.847 122.052 121.223 -0.030 0.000 2.400 166 L HA 0.424 4.764 4.340 -0.001 0.000 0.264 166 L C -0.134 176.776 176.870 0.067 0.000 1.061 166 L CA -1.160 53.654 54.840 -0.044 0.000 0.799 166 L CB 1.782 43.822 42.059 -0.033 0.000 1.240 166 L HN -0.221 nan 8.230 nan 0.000 0.461 167 V N 0.618 120.484 119.914 -0.080 0.000 2.540 167 V HA 0.616 4.736 4.120 -0.001 0.000 0.302 167 V C 0.017 175.814 176.094 -0.495 0.000 1.035 167 V CA -0.658 61.440 62.300 -0.336 0.000 0.873 167 V CB 1.618 33.310 31.823 -0.218 0.000 0.992 167 V HN 0.840 nan 8.190 nan 0.000 0.428 168 A N 5.889 128.183 122.820 -0.877 0.000 2.301 168 A HA 0.922 5.242 4.320 -0.001 0.000 0.312 168 A C -0.804 176.563 177.584 -0.362 0.000 1.182 168 A CA -0.393 51.386 52.037 -0.430 0.000 0.826 168 A CB 0.596 19.569 19.000 -0.045 0.000 1.134 168 A HN 0.794 nan 8.150 nan 0.000 0.501 169 L N 1.806 122.809 121.223 -0.367 0.000 2.371 169 L HA 0.706 5.046 4.340 -0.001 0.000 0.262 169 L C -0.229 176.320 176.870 -0.536 0.000 1.006 169 L CA -0.386 54.214 54.840 -0.399 0.000 0.818 169 L CB 2.251 43.967 42.059 -0.571 0.000 1.354 169 L HN 0.753 nan 8.230 nan 0.000 0.415 170 M N -0.124 119.089 119.600 -0.644 0.000 2.716 170 M HA 0.280 4.760 4.480 -0.001 0.000 0.278 170 M C -0.147 176.031 176.300 -0.204 0.000 1.281 170 M CA -0.712 54.281 55.300 -0.511 0.000 0.814 170 M CB 2.428 34.510 32.600 -0.863 0.000 1.719 170 M HN 0.544 nan 8.290 nan 0.000 0.457 171 S N 0.322 115.964 115.700 -0.097 0.000 4.085 171 S HA 0.607 5.076 4.470 -0.001 0.000 0.189 171 S C -0.285 174.304 174.600 -0.019 0.000 1.392 171 S CA -0.228 57.935 58.200 -0.061 0.000 0.972 171 S CB -1.097 62.042 63.200 -0.103 0.000 1.482 171 S HN 0.712 nan 8.310 nan 0.000 0.446 172 A N 1.744 124.550 122.820 -0.024 0.000 2.564 172 A HA 0.637 4.956 4.320 -0.001 0.000 0.291 172 A C -1.010 176.629 177.584 0.093 0.000 1.102 172 A CA -0.943 51.073 52.037 -0.035 0.000 0.660 172 A CB 0.511 19.429 19.000 -0.136 0.000 1.283 172 A HN 0.352 nan 8.150 nan 0.000 0.430 173 I N 1.421 122.049 120.570 0.097 0.000 2.441 173 I HA 0.242 4.411 4.170 -0.001 0.000 0.287 173 I C 0.826 177.046 176.117 0.173 0.000 1.049 173 I CA 0.020 61.399 61.300 0.131 0.000 1.381 173 I CB 0.568 38.622 38.000 0.090 0.000 1.409 173 I HN 0.624 nan 8.210 nan 0.000 0.523 174 R N 3.897 124.496 120.500 0.166 0.000 2.489 174 R HA 0.042 4.382 4.340 -0.001 0.000 0.287 174 R C -0.169 176.121 176.300 -0.016 0.000 1.053 174 R CA 0.020 56.155 56.100 0.058 0.000 1.036 174 R CB 0.508 30.861 30.300 0.087 0.000 0.966 174 R HN 0.439 nan 8.270 nan 0.000 0.432 175 D N 1.950 122.270 120.400 -0.133 0.000 2.891 175 D HA 0.213 4.853 4.640 -0.001 0.000 0.332 175 D C 0.042 176.280 176.300 -0.104 0.000 1.369 175 D CA 0.330 54.282 54.000 -0.080 0.000 0.827 175 D CB 0.349 41.118 40.800 -0.053 0.000 1.141 175 D HN 0.791 nan 8.370 nan 0.000 0.464 176 G N 1.103 109.846 108.800 -0.096 0.000 2.712 176 G HA2 -0.027 3.932 3.960 -0.001 0.000 0.683 176 G HA3 -0.027 3.932 3.960 -0.001 0.000 0.683 176 G C -0.705 174.119 174.900 -0.125 0.000 1.320 176 G CA -0.358 44.698 45.100 -0.074 0.000 0.847 176 G HN 0.371 nan 8.290 nan 0.000 0.553 177 E N -1.734 118.381 120.200 -0.142 0.000 2.367 177 E HA 0.838 5.188 4.350 -0.001 0.000 0.273 177 E C -0.360 176.111 176.600 -0.214 0.000 0.903 177 E CA -0.458 55.767 56.400 -0.293 0.000 0.764 177 E CB 2.485 31.900 29.700 -0.475 0.000 1.252 177 E HN 1.493 nan 8.360 nan 0.000 0.446 178 T N -1.534 112.879 114.554 -0.236 0.000 2.889 178 T HA 0.469 4.819 4.350 -0.001 0.000 0.315 178 T C -2.986 171.628 174.700 -0.142 0.000 1.291 178 T CA -2.035 59.977 62.100 -0.146 0.000 1.028 178 T CB 1.190 70.004 68.868 -0.091 0.000 1.235 178 T HN 0.241 nan 8.240 nan 0.000 0.491 179 P HA 0.186 nan 4.420 nan 0.000 0.267 179 P C -0.625 176.644 177.300 -0.051 0.000 1.200 179 P CA -0.036 63.024 63.100 -0.065 0.000 0.772 179 P CB 0.296 31.972 31.700 -0.039 0.000 0.855 180 D N 3.335 123.715 120.400 -0.034 0.000 2.325 180 D HA 0.086 4.726 4.640 -0.001 0.000 0.251 180 D C -1.523 174.772 176.300 -0.009 0.000 1.196 180 D CA -2.067 51.923 54.000 -0.017 0.000 0.866 180 D CB 0.603 41.402 40.800 -0.001 0.000 1.101 180 D HN 0.110 nan 8.370 nan 0.000 0.476 181 P HA -0.100 nan 4.420 nan 0.000 0.218 181 P C 0.609 177.909 177.300 0.000 0.000 1.148 181 P CA 1.038 64.135 63.100 -0.004 0.000 0.822 181 P CB 0.298 31.996 31.700 -0.003 0.000 0.784 182 E N -1.224 118.977 120.200 0.002 0.000 2.427 182 E HA -0.034 4.316 4.350 -0.001 0.000 0.196 182 E C 0.108 176.711 176.600 0.006 0.000 1.028 182 E CA 0.456 56.859 56.400 0.004 0.000 0.864 182 E CB -0.055 29.648 29.700 0.004 0.000 0.813 182 E HN 0.172 nan 8.360 nan 0.000 0.514 183 D N -0.796 119.609 120.400 0.008 0.000 2.251 183 D HA 0.021 4.660 4.640 -0.001 0.000 0.210 183 D C -2.407 173.900 176.300 0.013 0.000 1.304 183 D CA -1.315 52.692 54.000 0.013 0.000 0.912 183 D CB 1.139 41.950 40.800 0.019 0.000 1.553 183 D HN -0.222 nan 8.370 nan 0.000 0.526 184 P HA -0.032 nan 4.420 nan 0.000 0.242 184 P C 0.942 178.251 177.300 0.016 0.000 1.197 184 P CA 0.340 63.445 63.100 0.008 0.000 0.765 184 P CB 0.057 31.761 31.700 0.007 0.000 0.936 185 S N -1.467 114.248 115.700 0.025 0.000 2.607 185 S HA 0.099 4.569 4.470 -0.001 0.000 0.224 185 S C 0.863 175.490 174.600 0.046 0.000 0.969 185 S CA -0.318 57.903 58.200 0.036 0.000 0.927 185 S CB -0.398 62.828 63.200 0.043 0.000 0.772 185 S HN 0.105 nan 8.310 nan 0.000 0.533 186 R N 0.053 120.575 120.500 0.036 0.000 2.854 186 R HA 0.630 4.969 4.340 -0.001 0.000 0.271 186 R C -1.067 175.238 176.300 0.009 0.000 0.994 186 R CA -0.829 55.298 56.100 0.045 0.000 0.945 186 R CB 1.516 31.849 30.300 0.054 0.000 1.194 186 R HN 0.096 nan 8.270 nan 0.000 0.476 187 K N 1.162 121.564 120.400 0.003 0.000 2.267 187 K HA 0.516 4.835 4.320 -0.001 0.000 0.246 187 K C -0.698 175.844 176.600 -0.097 0.000 0.954 187 K CA -0.625 55.593 56.287 -0.116 0.000 0.824 187 K CB 1.905 34.240 32.500 -0.275 0.000 1.167 187 K HN 0.362 nan 8.250 nan 0.000 0.431 188 I N 2.991 123.460 120.570 -0.167 0.000 2.339 188 I HA 0.250 4.419 4.170 -0.001 0.000 0.290 188 I C -0.944 175.033 176.117 -0.233 0.000 0.994 188 I CA -0.749 60.499 61.300 -0.087 0.000 1.191 188 I CB 0.641 38.616 38.000 -0.042 0.000 1.343 188 I HN 0.423 nan 8.210 nan 0.000 0.458 189 Y N 5.529 125.821 120.300 -0.014 0.000 2.342 189 Y HA 0.460 5.010 4.550 -0.001 0.000 0.334 189 Y C 0.058 175.756 175.900 -0.337 0.000 1.067 189 Y CA -0.518 57.479 58.100 -0.173 0.000 1.128 189 Y CB 1.432 39.850 38.460 -0.069 0.000 1.200 189 Y HN 0.392 nan 8.280 nan 0.000 0.464 190 K N 3.097 123.220 120.400 -0.463 0.000 2.267 190 K HA 0.729 5.049 4.320 -0.001 0.000 0.246 190 K C -1.717 174.388 176.600 -0.825 0.000 0.954 190 K CA -0.735 55.306 56.287 -0.409 0.000 0.824 190 K CB 1.791 34.206 32.500 -0.143 0.000 1.167 190 K HN 0.407 nan 8.250 nan 0.000 0.431 191 F N 1.255 121.266 119.950 0.101 0.000 2.619 191 F HA 0.529 5.055 4.527 -0.001 0.000 0.308 191 F C -0.784 175.025 175.800 0.014 0.000 1.097 191 F CA -0.940 57.093 58.000 0.055 0.000 0.953 191 F CB 1.532 40.577 39.000 0.075 0.000 1.287 191 F HN 0.324 nan 8.300 nan 0.000 0.446 192 I N 2.254 122.894 120.570 0.117 0.000 2.571 192 I HA 0.512 4.682 4.170 -0.001 0.000 0.289 192 I C -1.667 174.368 176.117 -0.137 0.000 1.115 192 I CA -0.465 60.829 61.300 -0.009 0.000 1.045 192 I CB 1.792 39.810 38.000 0.030 0.000 1.238 192 I HN 0.649 nan 8.210 nan 0.000 0.424 193 Q N 6.641 126.242 119.800 -0.332 0.000 2.401 193 Q HA 0.335 4.674 4.340 -0.001 0.000 0.260 193 Q C -0.202 175.722 176.000 -0.127 0.000 1.034 193 Q CA -0.515 55.109 55.803 -0.299 0.000 0.737 193 Q CB 1.314 29.668 28.738 -0.640 0.000 1.227 193 Q HN 0.720 nan 8.270 nan 0.000 0.488 194 K N 1.398 121.764 120.400 -0.058 0.000 2.426 194 K HA 0.188 4.507 4.320 -0.001 0.000 0.193 194 K C -0.273 176.281 176.600 -0.078 0.000 1.028 194 K CA 0.067 56.327 56.287 -0.045 0.000 1.047 194 K CB 0.511 32.977 32.500 -0.057 0.000 0.821 194 K HN 0.278 nan 8.250 nan 0.000 0.513 195 V N 3.748 123.615 119.914 -0.079 0.000 2.407 195 V HA 0.243 4.363 4.120 -0.001 0.000 0.278 195 V C -2.399 173.709 176.094 0.023 0.000 1.037 195 V CA -2.391 59.828 62.300 -0.135 0.000 0.900 195 V CB 1.075 32.621 31.823 -0.462 0.000 0.983 195 V HN 0.116 nan 8.190 nan 0.000 0.459 196 P HA 0.303 nan 4.420 nan 0.000 0.268 196 P C -0.623 176.762 177.300 0.143 0.000 1.204 196 P CA 0.198 63.345 63.100 0.078 0.000 0.768 196 P CB 0.359 32.086 31.700 0.044 0.000 0.842 197 I N 0.103 120.742 120.570 0.115 0.000 2.865 197 I HA 0.696 4.866 4.170 -0.001 0.000 0.302 197 I C -2.857 173.250 176.117 -0.018 0.000 1.140 197 I CA -3.418 57.927 61.300 0.075 0.000 1.021 197 I CB 2.696 40.742 38.000 0.077 0.000 1.233 197 I HN 0.071 nan 8.210 nan 0.000 0.427 198 P HA 0.071 nan 4.420 nan 0.000 0.274 198 P C 0.824 178.020 177.300 -0.173 0.000 1.231 198 P CA -0.341 62.686 63.100 -0.122 0.000 0.790 198 P CB 1.153 32.779 31.700 -0.122 0.000 0.951 199 C N 0.801 120.071 119.300 -0.050 0.000 2.437 199 C HA -0.091 4.368 4.460 -0.001 0.000 0.283 199 C C 2.553 177.521 174.990 -0.035 0.000 1.424 199 C CA 0.248 59.230 59.018 -0.061 0.000 1.782 199 C CB -2.609 25.110 27.740 -0.035 0.000 1.833 199 C HN 0.633 nan 8.230 nan 0.000 0.532 200 Y N 0.862 121.188 120.300 0.045 0.000 2.574 200 Y HA 0.220 4.770 4.550 -0.001 0.000 0.294 200 Y C 1.799 177.689 175.900 -0.017 0.000 1.142 200 Y CA 0.653 58.788 58.100 0.060 0.000 1.314 200 Y CB -0.858 37.740 38.460 0.229 0.000 0.991 200 Y HN 0.278 nan 8.280 nan 0.000 0.555 201 L N 0.819 121.795 121.223 -0.412 0.000 2.592 201 L HA 0.208 4.547 4.340 -0.001 0.000 0.227 201 L C 0.391 177.132 176.870 -0.215 0.000 1.127 201 L CA -0.152 54.474 54.840 -0.357 0.000 0.884 201 L CB -0.064 41.714 42.059 -0.469 0.000 1.065 201 L HN 0.158 nan 8.230 nan 0.000 0.457 202 I N 1.089 121.541 120.570 -0.197 0.000 2.598 202 I HA 0.146 4.316 4.170 -0.001 0.000 0.284 202 I C 0.443 176.426 176.117 -0.224 0.000 1.140 202 I CA 0.192 61.337 61.300 -0.258 0.000 1.420 202 I CB 0.653 38.417 38.000 -0.394 0.000 1.387 202 I HN 0.037 nan 8.210 nan 0.000 0.553 203 A N 7.154 129.841 122.820 -0.222 0.000 2.515 203 A HA 0.866 5.186 4.320 -0.001 0.000 0.298 203 A C -1.567 175.935 177.584 -0.137 0.000 1.059 203 A CA -0.488 51.419 52.037 -0.216 0.000 0.698 203 A CB 1.851 20.558 19.000 -0.488 0.000 1.289 203 A HN 0.553 nan 8.150 nan 0.000 0.404 204 L N 1.768 122.974 121.223 -0.028 0.000 2.464 204 L HA 0.814 5.153 4.340 -0.001 0.000 0.266 204 L C -1.488 175.395 176.870 0.022 0.000 0.965 204 L CA -0.538 54.252 54.840 -0.083 0.000 0.833 204 L CB 1.963 43.929 42.059 -0.153 0.000 1.296 204 L HN 0.989 nan 8.230 nan 0.000 0.405 205 V N 5.655 125.506 119.914 -0.104 0.000 2.735 205 V HA 0.864 4.983 4.120 -0.001 0.000 0.310 205 V C -1.484 174.424 176.094 -0.310 0.000 1.061 205 V CA -0.349 61.818 62.300 -0.221 0.000 0.913 205 V CB 2.351 33.938 31.823 -0.393 0.000 1.005 205 V HN 0.594 nan 8.190 nan 0.000 0.428 206 V N 5.861 125.571 119.914 -0.340 0.000 2.525 206 V HA 1.014 5.133 4.120 -0.001 0.000 0.299 206 V C 0.361 176.229 176.094 -0.376 0.000 1.034 206 V CA 0.468 62.624 62.300 -0.241 0.000 0.863 206 V CB 1.096 32.925 31.823 0.011 0.000 0.999 206 V HN 1.341 nan 8.190 nan 0.000 0.423 207 G N 2.771 111.345 108.800 -0.376 0.000 2.430 207 G HA2 0.605 4.565 3.960 -0.001 0.000 0.300 207 G HA3 0.605 4.565 3.960 -0.001 0.000 0.300 207 G C -0.980 173.828 174.900 -0.153 0.000 1.330 207 G CA -0.076 44.813 45.100 -0.352 0.000 0.813 207 G HN 1.052 nan 8.290 nan 0.000 0.487 208 A N 0.494 123.303 122.820 -0.019 0.000 2.990 208 A HA 0.633 4.953 4.320 -0.001 0.000 0.282 208 A C 0.163 177.795 177.584 0.080 0.000 1.688 208 A CA -0.038 51.990 52.037 -0.016 0.000 1.391 208 A CB -0.978 18.031 19.000 0.015 0.000 1.112 208 A HN 0.510 nan 8.150 nan 0.000 0.588 209 L N 1.019 122.287 121.223 0.076 0.000 2.334 209 L HA 0.553 4.893 4.340 -0.001 0.000 0.275 209 L C 0.356 177.369 176.870 0.239 0.000 1.036 209 L CA -0.335 54.616 54.840 0.185 0.000 0.807 209 L CB 1.634 43.806 42.059 0.189 0.000 1.231 209 L HN 0.596 nan 8.230 nan 0.000 0.438 210 E N 0.420 120.747 120.200 0.212 0.000 2.369 210 E HA 0.552 4.901 4.350 -0.001 0.000 0.270 210 E C -1.291 175.235 176.600 -0.123 0.000 0.909 210 E CA -0.610 55.831 56.400 0.068 0.000 0.775 210 E CB 2.547 32.261 29.700 0.025 0.000 1.270 210 E HN 0.632 nan 8.360 nan 0.000 0.445 211 S N 1.268 116.700 115.700 -0.446 0.000 2.542 211 S HA 0.705 5.175 4.470 -0.001 0.000 0.293 211 S C -0.761 173.585 174.600 -0.423 0.000 1.089 211 S CA -0.970 56.748 58.200 -0.803 0.000 0.961 211 S CB 2.068 64.259 63.200 -1.682 0.000 1.062 211 S HN 0.514 nan 8.310 nan 0.000 0.483 212 R N 1.001 121.298 120.500 -0.339 0.000 2.575 212 R HA 0.367 4.706 4.340 -0.001 0.000 0.293 212 R C -0.965 175.244 176.300 -0.151 0.000 0.983 212 R CA -0.468 55.522 56.100 -0.184 0.000 0.887 212 R CB 1.740 31.985 30.300 -0.092 0.000 1.184 212 R HN 0.875 nan 8.270 nan 0.000 0.445 213 Q N 3.819 123.558 119.800 -0.102 0.000 2.311 213 Q HA 0.148 4.488 4.340 -0.001 0.000 0.272 213 Q C 0.499 176.495 176.000 -0.007 0.000 1.012 213 Q CA 0.297 56.071 55.803 -0.048 0.000 0.891 213 Q CB 0.701 29.424 28.738 -0.026 0.000 1.201 213 Q HN 0.760 nan 8.270 nan 0.000 0.391 214 I N 0.037 120.620 120.570 0.022 0.000 4.338 214 I HA 0.597 4.767 4.170 -0.001 0.000 0.329 214 I C 0.350 176.500 176.117 0.055 0.000 1.378 214 I CA -0.291 61.037 61.300 0.047 0.000 1.170 214 I CB 1.073 39.119 38.000 0.076 0.000 1.206 214 I HN 0.516 nan 8.210 nan 0.000 0.432 215 G N 1.287 110.121 108.800 0.055 0.000 2.559 215 G HA2 0.407 4.366 3.960 -0.001 0.000 0.291 215 G HA3 0.407 4.366 3.960 -0.001 0.000 0.291 215 G C -2.726 172.206 174.900 0.054 0.000 1.424 215 G CA -0.460 44.673 45.100 0.054 0.000 0.786 215 G HN -0.247 nan 8.290 nan 0.000 0.485 216 P HA -0.042 nan 4.420 nan 0.000 0.222 216 P C 0.854 178.195 177.300 0.069 0.000 1.147 216 P CA 0.911 64.042 63.100 0.052 0.000 0.790 216 P CB 0.183 31.911 31.700 0.046 0.000 0.780 217 R N -2.067 118.481 120.500 0.081 0.000 2.642 217 R HA 0.377 4.717 4.340 -0.001 0.000 0.435 217 R C -0.713 175.671 176.300 0.140 0.000 1.046 217 R CA -0.331 55.836 56.100 0.111 0.000 1.103 217 R CB -0.204 30.161 30.300 0.109 0.000 1.425 217 R HN -0.195 nan 8.270 nan 0.000 0.586 218 T N 1.618 116.245 114.554 0.121 0.000 2.937 218 T HA 0.409 4.758 4.350 -0.001 0.000 0.297 218 T C -1.288 173.462 174.700 0.082 0.000 0.991 218 T CA -0.581 61.600 62.100 0.135 0.000 0.990 218 T CB 1.821 70.794 68.868 0.175 0.000 0.991 218 T HN -0.049 nan 8.240 nan 0.000 0.440 219 L N 2.952 124.219 121.223 0.072 0.000 2.325 219 L HA 0.656 4.995 4.340 -0.001 0.000 0.278 219 L C 0.014 176.862 176.870 -0.037 0.000 1.023 219 L CA -0.877 53.925 54.840 -0.062 0.000 0.811 219 L CB 1.697 43.630 42.059 -0.209 0.000 1.249 219 L HN 0.472 nan 8.230 nan 0.000 0.431 220 V N 3.132 122.991 119.914 -0.091 0.000 2.439 220 V HA 0.476 4.596 4.120 -0.001 0.000 0.282 220 V C -1.303 174.710 176.094 -0.134 0.000 1.039 220 V CA -0.351 61.956 62.300 0.012 0.000 0.913 220 V CB 1.078 32.973 31.823 0.121 0.000 0.983 220 V HN 0.728 nan 8.190 nan 0.000 0.460 221 W N 5.101 126.406 121.300 0.009 0.000 2.632 221 W HA 0.779 5.438 4.660 -0.001 0.000 0.328 221 W C 0.091 176.603 176.519 -0.012 0.000 1.044 221 W CA -0.037 57.301 57.345 -0.012 0.000 1.225 221 W CB 2.085 31.512 29.460 -0.055 0.000 1.396 221 W HN 0.822 nan 8.180 nan 0.000 0.499 222 S N -0.098 115.740 115.700 0.230 0.000 2.655 222 S HA 0.395 4.864 4.470 -0.001 0.000 0.266 222 S C -0.939 173.758 174.600 0.162 0.000 1.149 222 S CA -1.321 56.977 58.200 0.163 0.000 0.818 222 S CB 1.262 64.529 63.200 0.111 0.000 1.130 222 S HN 0.474 nan 8.310 nan 0.000 0.476 223 E N 0.829 121.116 120.200 0.145 0.000 2.408 223 E HA 0.140 4.490 4.350 -0.001 0.000 0.259 223 E C 0.854 177.507 176.600 0.088 0.000 1.110 223 E CA -0.305 56.172 56.400 0.130 0.000 0.929 223 E CB 0.538 30.308 29.700 0.116 0.000 0.971 223 E HN 0.648 nan 8.360 nan 0.000 0.438 224 K N 1.864 122.311 120.400 0.078 0.000 2.127 224 K HA -0.220 4.099 4.320 -0.001 0.000 0.208 224 K C 1.436 178.061 176.600 0.040 0.000 1.047 224 K CA 1.763 58.082 56.287 0.053 0.000 0.927 224 K CB 0.116 32.647 32.500 0.052 0.000 0.716 224 K HN 0.439 nan 8.250 nan 0.000 0.450 225 E N 0.025 120.250 120.200 0.042 0.000 2.418 225 E HA -0.169 4.181 4.350 -0.001 0.000 0.197 225 E C 1.167 177.782 176.600 0.024 0.000 1.026 225 E CA 0.904 57.321 56.400 0.028 0.000 0.862 225 E CB 0.031 29.746 29.700 0.026 0.000 0.799 225 E HN 0.389 nan 8.360 nan 0.000 0.518 226 Q N 0.104 119.924 119.800 0.034 0.000 2.282 226 Q HA 0.164 4.504 4.340 -0.001 0.000 0.206 226 Q C 1.928 177.950 176.000 0.037 0.000 0.878 226 Q CA 0.013 55.837 55.803 0.034 0.000 0.944 226 Q CB 0.694 29.459 28.738 0.044 0.000 1.100 226 Q HN 0.059 nan 8.270 nan 0.000 0.509 227 V N 0.674 120.608 119.914 0.033 0.000 2.261 227 V HA -0.275 3.844 4.120 -0.001 0.000 0.246 227 V C 2.183 178.289 176.094 0.020 0.000 1.047 227 V CA 2.254 64.570 62.300 0.027 0.000 1.015 227 V CB -0.315 31.512 31.823 0.006 0.000 0.642 227 V HN 0.484 nan 8.190 nan 0.000 0.446 228 E N 0.380 120.586 120.200 0.011 0.000 2.051 228 E HA -0.302 4.047 4.350 -0.001 0.000 0.192 228 E C 2.327 178.935 176.600 0.013 0.000 0.991 228 E CA 1.779 58.185 56.400 0.010 0.000 0.799 228 E CB -0.133 29.565 29.700 -0.004 0.000 0.748 228 E HN 0.536 nan 8.360 nan 0.000 0.449 229 K N 0.070 120.466 120.400 -0.006 0.000 2.063 229 K HA -0.137 4.183 4.320 -0.001 0.000 0.208 229 K C 2.273 178.841 176.600 -0.054 0.000 1.048 229 K CA 1.752 58.025 56.287 -0.024 0.000 0.928 229 K CB -0.040 32.441 32.500 -0.033 0.000 0.713 229 K HN 0.016 nan 8.250 nan 0.000 0.442 230 S N 0.466 116.138 115.700 -0.047 0.000 2.356 230 S HA -0.153 4.316 4.470 -0.001 0.000 0.223 230 S C 2.046 176.606 174.600 -0.068 0.000 1.032 230 S CA 1.192 59.335 58.200 -0.095 0.000 1.005 230 S CB -0.333 62.951 63.200 0.140 0.000 0.867 230 S HN 0.525 nan 8.310 nan 0.000 0.449 231 A N 0.297 123.141 122.820 0.041 0.000 1.978 231 A HA -0.144 4.175 4.320 -0.001 0.000 0.220 231 A C 1.967 179.585 177.584 0.056 0.000 1.170 231 A CA 1.626 53.706 52.037 0.072 0.000 0.636 231 A CB -0.790 18.245 19.000 0.057 0.000 0.810 231 A HN 0.627 nan 8.150 nan 0.000 0.448 232 Y N 0.031 120.282 120.300 -0.081 0.000 2.206 232 Y HA -0.034 4.516 4.550 -0.001 0.000 0.292 232 Y C 2.296 178.117 175.900 -0.131 0.000 1.123 232 Y CA 1.904 59.959 58.100 -0.075 0.000 1.142 232 Y CB -0.195 38.221 38.460 -0.072 0.000 1.006 232 Y HN 0.367 nan 8.280 nan 0.000 0.518 233 E N -0.070 120.026 120.200 -0.174 0.000 2.160 233 E HA -0.172 4.178 4.350 -0.001 0.000 0.195 233 E C 0.640 176.982 176.600 -0.430 0.000 0.991 233 E CA 1.555 57.700 56.400 -0.426 0.000 0.810 233 E CB -0.322 28.878 29.700 -0.832 0.000 0.742 233 E HN 0.458 nan 8.360 nan 0.000 0.466 234 F N -0.280 119.692 119.950 0.037 0.000 2.708 234 F HA 0.255 4.782 4.527 -0.001 0.000 0.300 234 F C 1.643 177.459 175.800 0.027 0.000 1.118 234 F CA 0.090 58.123 58.000 0.055 0.000 1.307 234 F CB -0.254 38.804 39.000 0.096 0.000 0.986 234 F HN -0.022 nan 8.300 nan 0.000 0.522 235 S N -0.879 114.853 115.700 0.052 0.000 2.500 235 S HA -0.177 4.293 4.470 -0.001 0.000 0.239 235 S C 1.375 175.995 174.600 0.034 0.000 0.989 235 S CA 1.059 59.263 58.200 0.007 0.000 0.951 235 S CB -0.439 62.685 63.200 -0.127 0.000 0.759 235 S HN 0.533 nan 8.310 nan 0.000 0.523 236 E N 0.829 121.071 120.200 0.069 0.000 2.502 236 E HA 0.026 4.375 4.350 -0.001 0.000 0.194 236 E C 1.536 178.185 176.600 0.083 0.000 1.062 236 E CA 0.628 57.070 56.400 0.070 0.000 0.867 236 E CB -0.273 29.491 29.700 0.107 0.000 0.888 236 E HN 0.533 nan 8.360 nan 0.000 0.510 237 T N 1.252 115.880 114.554 0.123 0.000 2.635 237 T HA -0.254 4.095 4.350 -0.001 0.000 0.267 237 T C 1.809 176.536 174.700 0.045 0.000 1.040 237 T CA 1.835 64.005 62.100 0.117 0.000 1.156 237 T CB -0.174 68.812 68.868 0.197 0.000 0.863 237 T HN 0.179 nan 8.240 nan 0.000 0.430 238 E N 1.484 121.713 120.200 0.049 0.000 2.077 238 E HA -0.130 4.219 4.350 -0.001 0.000 0.193 238 E C 2.360 178.959 176.600 -0.002 0.000 0.989 238 E CA 1.800 58.210 56.400 0.017 0.000 0.800 238 E CB -0.474 29.243 29.700 0.028 0.000 0.746 238 E HN 0.560 nan 8.360 nan 0.000 0.452 239 S N -0.423 115.278 115.700 0.002 0.000 2.399 239 S HA -0.192 4.277 4.470 -0.001 0.000 0.231 239 S C 2.113 176.700 174.600 -0.021 0.000 1.022 239 S CA 1.448 59.639 58.200 -0.015 0.000 0.983 239 S CB -0.399 62.785 63.200 -0.026 0.000 0.803 239 S HN 0.312 nan 8.310 nan 0.000 0.480 240 M N 0.758 120.353 119.600 -0.009 0.000 2.175 240 M HA 0.095 4.574 4.480 -0.001 0.000 0.264 240 M C 2.203 178.485 176.300 -0.029 0.000 1.063 240 M CA 1.187 56.481 55.300 -0.009 0.000 1.119 240 M CB -0.615 31.999 32.600 0.023 0.000 1.377 240 M HN 0.293 nan 8.290 nan 0.000 0.415 241 L N 0.098 121.286 121.223 -0.058 0.000 2.042 241 L HA -0.242 4.097 4.340 -0.001 0.000 0.210 241 L C 2.456 179.334 176.870 0.013 0.000 1.076 241 L CA 1.471 56.278 54.840 -0.054 0.000 0.749 241 L CB -0.566 41.393 42.059 -0.166 0.000 0.893 241 L HN 0.261 nan 8.230 nan 0.000 0.432 242 K N 0.062 120.458 120.400 -0.006 0.000 2.057 242 K HA -0.134 4.186 4.320 -0.001 0.000 0.207 242 K C 2.054 178.641 176.600 -0.022 0.000 1.049 242 K CA 1.326 57.615 56.287 0.004 0.000 0.931 242 K CB -0.183 32.317 32.500 -0.001 0.000 0.714 242 K HN 0.245 nan 8.250 nan 0.000 0.440 243 I N 0.891 121.437 120.570 -0.041 0.000 2.226 243 I HA -0.261 3.908 4.170 -0.001 0.000 0.245 243 I C 2.486 178.526 176.117 -0.129 0.000 1.100 243 I CA 1.074 62.335 61.300 -0.065 0.000 1.374 243 I CB -0.374 37.597 38.000 -0.049 0.000 1.057 243 I HN 0.131 nan 8.210 nan 0.000 0.413 244 A N 0.474 123.200 122.820 -0.156 0.000 1.902 244 A HA -0.223 4.096 4.320 -0.001 0.000 0.217 244 A C 2.230 179.397 177.584 -0.695 0.000 1.181 244 A CA 1.676 53.471 52.037 -0.403 0.000 0.623 244 A CB -0.574 18.259 19.000 -0.278 0.000 0.818 244 A HN 0.443 nan 8.150 nan 0.000 0.443 245 E N -0.646 119.397 120.200 -0.262 0.000 2.077 245 E HA -0.232 4.118 4.350 -0.001 0.000 0.193 245 E C 1.734 178.260 176.600 -0.123 0.000 0.989 245 E CA 1.201 57.571 56.400 -0.051 0.000 0.800 245 E CB -0.191 29.611 29.700 0.170 0.000 0.746 245 E HN 0.680 nan 8.360 nan 0.000 0.452 246 D N 0.565 120.896 120.400 -0.115 0.000 2.144 246 D HA -0.137 4.503 4.640 -0.001 0.000 0.199 246 D C 1.842 178.054 176.300 -0.146 0.000 0.984 246 D CA 0.961 54.904 54.000 -0.095 0.000 0.834 246 D CB 0.031 40.791 40.800 -0.068 0.000 0.955 246 D HN 0.099 nan 8.370 nan 0.000 0.465 247 L N -1.159 119.924 121.223 -0.233 0.000 2.209 247 L HA 0.201 4.541 4.340 -0.001 0.000 0.207 247 L C 2.312 178.998 176.870 -0.307 0.000 1.094 247 L CA 1.108 55.807 54.840 -0.234 0.000 0.790 247 L CB -0.152 41.773 42.059 -0.223 0.000 0.932 247 L HN 0.147 nan 8.230 nan 0.000 0.447 248 G N -1.148 107.317 108.800 -0.559 0.000 2.939 248 G HA2 0.444 4.403 3.960 -0.001 0.000 0.216 248 G HA3 0.444 4.403 3.960 -0.001 0.000 0.216 248 G C 0.708 175.415 174.900 -0.320 0.000 1.125 248 G CA 0.486 45.144 45.100 -0.736 0.000 0.766 248 G HN 0.482 nan 8.290 nan 0.000 0.541 249 G N -0.151 108.571 108.800 -0.130 0.000 2.710 249 G HA2 -0.028 3.932 3.960 -0.001 0.000 0.668 249 G HA3 -0.028 3.932 3.960 -0.001 0.000 0.668 249 G C -2.993 172.153 174.900 0.410 0.000 1.320 249 G CA -0.705 44.470 45.100 0.124 0.000 0.860 249 G HN 0.195 nan 8.290 nan 0.000 0.538 250 P HA 0.215 nan 4.420 nan 0.000 0.264 250 P C -0.396 177.172 177.300 0.445 0.000 1.183 250 P CA 0.187 63.489 63.100 0.337 0.000 0.763 250 P CB 0.192 31.991 31.700 0.165 0.000 0.807 251 Y N 4.233 124.720 120.300 0.312 0.000 2.480 251 Y HA 0.177 4.727 4.550 -0.001 0.000 0.341 251 Y C 1.187 177.058 175.900 -0.049 0.000 1.031 251 Y CA -0.023 58.111 58.100 0.056 0.000 1.295 251 Y CB 0.387 38.944 38.460 0.161 0.000 1.162 251 Y HN 0.206 nan 8.280 nan 0.000 0.523 252 V N 2.871 122.384 119.914 -0.668 0.000 3.647 252 V HA 0.066 4.185 4.120 -0.001 0.000 0.279 252 V C 0.473 176.106 176.094 -0.769 0.000 1.314 252 V CA 0.074 61.983 62.300 -0.652 0.000 1.125 252 V CB -0.829 30.556 31.823 -0.730 0.000 0.907 252 V HN 0.854 nan 8.190 nan 0.000 0.434 253 W N 1.111 121.981 121.300 -0.717 0.000 3.278 253 W HA 0.656 5.316 4.660 -0.001 0.000 0.308 253 W C 1.854 178.334 176.519 -0.065 0.000 1.253 253 W CA 0.621 57.701 57.345 -0.441 0.000 1.759 253 W CB 0.280 29.369 29.460 -0.619 0.000 1.093 253 W HN 0.494 nan 8.180 nan 0.000 0.648 254 G N 0.656 109.596 108.800 0.232 0.000 4.886 254 G HA2 -0.391 3.569 3.960 -0.001 0.000 0.305 254 G HA3 -0.391 3.569 3.960 -0.001 0.000 0.305 254 G C 0.249 175.401 174.900 0.419 0.000 1.483 254 G CA 0.508 45.773 45.100 0.275 0.000 1.029 254 G HN 0.204 nan 8.290 nan 0.000 0.746 255 Q N -0.046 119.985 119.800 0.385 0.000 2.227 255 Q HA 0.703 5.042 4.340 -0.001 0.000 0.245 255 Q C -1.191 175.091 176.000 0.469 0.000 0.926 255 Q CA -0.644 55.366 55.803 0.344 0.000 0.895 255 Q CB 1.066 29.950 28.738 0.243 0.000 1.230 255 Q HN 0.711 nan 8.270 nan 0.000 0.450 256 Y N 2.549 122.963 120.300 0.189 0.000 2.681 256 Y HA 0.375 4.925 4.550 -0.001 0.000 0.347 256 Y C -1.431 174.542 175.900 0.122 0.000 1.029 256 Y CA -0.804 57.377 58.100 0.135 0.000 1.279 256 Y CB 0.667 39.080 38.460 -0.079 0.000 1.096 256 Y HN 0.641 nan 8.280 nan 0.000 0.580 257 D N 3.769 124.044 120.400 -0.209 0.000 2.332 257 D HA 0.543 5.182 4.640 -0.001 0.000 0.252 257 D C -0.832 175.326 176.300 -0.237 0.000 1.050 257 D CA -0.105 53.867 54.000 -0.048 0.000 0.970 257 D CB 1.844 42.773 40.800 0.215 0.000 1.141 257 D HN 0.514 nan 8.370 nan 0.000 0.485 258 L N 1.007 122.220 121.223 -0.017 0.000 2.362 258 L HA 0.497 4.837 4.340 -0.001 0.000 0.271 258 L C -1.024 175.896 176.870 0.084 0.000 1.002 258 L CA -1.080 53.728 54.840 -0.055 0.000 0.818 258 L CB 1.874 43.882 42.059 -0.086 0.000 1.298 258 L HN 0.103 nan 8.230 nan 0.000 0.420 259 L N 3.640 124.844 121.223 -0.031 0.000 2.325 259 L HA 0.570 4.909 4.340 -0.001 0.000 0.281 259 L C -0.865 175.897 176.870 -0.179 0.000 1.004 259 L CA -0.328 54.447 54.840 -0.108 0.000 0.823 259 L CB 1.842 43.644 42.059 -0.428 0.000 1.236 259 L HN 0.263 nan 8.230 nan 0.000 0.415 260 V N 6.546 126.426 119.914 -0.057 0.000 2.385 260 V HA 0.340 4.460 4.120 -0.001 0.000 0.269 260 V C 0.551 176.559 176.094 -0.143 0.000 1.043 260 V CA -0.422 61.849 62.300 -0.048 0.000 0.906 260 V CB 0.786 32.682 31.823 0.122 0.000 0.995 260 V HN 0.681 nan 8.190 nan 0.000 0.467 261 L N 6.988 128.033 121.223 -0.296 0.000 2.468 261 L HA 0.438 4.778 4.340 -0.001 0.000 0.254 261 L C -1.950 174.752 176.870 -0.279 0.000 1.171 261 L CA -1.599 52.998 54.840 -0.407 0.000 0.809 261 L CB 0.678 42.268 42.059 -0.782 0.000 1.155 261 L HN 0.421 nan 8.230 nan 0.000 0.473 262 P HA 0.099 nan 4.420 nan 0.000 0.273 262 P C -2.267 174.988 177.300 -0.076 0.000 1.250 262 P CA -1.042 61.914 63.100 -0.240 0.000 0.793 262 P CB -0.086 31.421 31.700 -0.323 0.000 1.011 263 P HA -0.100 nan 4.420 nan 0.000 0.226 263 P C 1.082 178.438 177.300 0.094 0.000 1.153 263 P CA 1.231 64.364 63.100 0.056 0.000 0.777 263 P CB -0.366 31.368 31.700 0.057 0.000 0.794 264 S N -1.803 113.980 115.700 0.139 0.000 2.561 264 S HA -0.050 4.419 4.470 -0.001 0.000 0.225 264 S C 0.611 175.364 174.600 0.254 0.000 0.977 264 S CA -0.369 57.957 58.200 0.209 0.000 0.926 264 S CB -1.349 62.025 63.200 0.289 0.000 0.769 264 S HN -0.030 nan 8.310 nan 0.000 0.533 265 F N 4.703 124.642 119.950 -0.019 0.000 2.580 265 F HA 0.203 4.730 4.527 -0.001 0.000 0.398 265 F C -1.868 173.849 175.800 -0.139 0.000 1.023 265 F CA -2.292 55.625 58.000 -0.138 0.000 1.188 265 F CB 0.605 39.424 39.000 -0.303 0.000 1.005 265 F HN 0.043 nan 8.300 nan 0.000 0.546 266 P HA -0.048 nan 4.420 nan 0.000 0.233 266 P C -1.057 175.505 177.300 -1.229 0.000 1.167 266 P CA 1.383 63.869 63.100 -1.024 0.000 0.770 266 P CB 0.039 30.963 31.700 -1.294 0.000 0.837 267 Y N -2.574 117.131 120.300 -0.992 0.000 2.634 267 Y HA 0.570 5.120 4.550 -0.001 0.000 0.340 267 Y C 2.018 177.768 175.900 -0.250 0.000 1.058 267 Y CA -0.769 56.988 58.100 -0.571 0.000 1.081 267 Y CB 0.197 38.355 38.460 -0.503 0.000 1.295 267 Y HN -0.354 nan 8.280 nan 0.000 0.487 268 G N -0.230 108.610 108.800 0.067 0.000 2.402 268 G HA2 0.325 4.285 3.960 -0.001 0.000 0.216 268 G HA3 0.325 4.285 3.960 -0.001 0.000 0.216 268 G C 0.341 175.409 174.900 0.280 0.000 1.162 268 G CA 0.877 46.040 45.100 0.105 0.000 0.777 268 G HN 0.935 nan 8.290 nan 0.000 0.539 269 G N -1.524 107.480 108.800 0.340 0.000 2.698 269 G HA2 0.517 4.477 3.960 -0.001 0.000 0.293 269 G HA3 0.517 4.477 3.960 -0.001 0.000 0.293 269 G C -1.740 173.390 174.900 0.384 0.000 1.437 269 G CA -0.720 44.610 45.100 0.383 0.000 0.852 269 G HN 0.261 nan 8.290 nan 0.000 0.499 270 M N 1.611 121.412 119.600 0.336 0.000 2.213 270 M HA 0.366 4.846 4.480 -0.001 0.000 0.286 270 M C 0.316 176.648 176.300 0.054 0.000 1.008 270 M CA -0.913 54.492 55.300 0.174 0.000 0.937 270 M CB 1.869 34.579 32.600 0.182 0.000 1.600 270 M HN 0.551 nan 8.290 nan 0.000 0.450 271 E N 2.562 122.793 120.200 0.052 0.000 2.528 271 E HA 0.027 4.377 4.350 -0.001 0.000 0.237 271 E C -1.063 175.452 176.600 -0.142 0.000 1.408 271 E CA 0.036 56.456 56.400 0.034 0.000 1.571 271 E CB -1.157 28.595 29.700 0.087 0.000 1.395 271 E HN 0.819 nan 8.360 nan 0.000 0.438 272 N N 3.591 122.147 118.700 -0.240 0.000 2.412 272 N HA 0.022 4.762 4.740 -0.001 0.000 0.258 272 N C -2.344 172.980 175.510 -0.310 0.000 1.236 272 N CA -0.790 52.055 53.050 -0.342 0.000 0.882 272 N CB 0.374 38.524 38.487 -0.561 0.000 1.066 272 N HN 0.226 nan 8.380 nan 0.000 0.465 273 P HA -0.027 nan 4.420 nan 0.000 0.267 273 P C 0.096 177.256 177.300 -0.233 0.000 1.205 273 P CA -0.067 62.718 63.100 -0.525 0.000 0.765 273 P CB 0.582 31.835 31.700 -0.743 0.000 0.828 274 C N 1.085 120.310 119.300 -0.124 0.000 5.688 274 C HA -0.199 4.261 4.460 -0.001 0.000 0.291 274 C C 0.467 175.421 174.990 -0.059 0.000 2.111 274 C CA 0.614 59.649 59.018 0.028 0.000 1.870 274 C CB -2.424 25.360 27.740 0.073 0.000 2.828 274 C HN 0.651 nan 8.230 nan 0.000 0.449 275 L N 1.161 122.302 121.223 -0.136 0.000 2.422 275 L HA 0.439 4.778 4.340 -0.001 0.000 0.263 275 L C 0.039 176.873 176.870 -0.060 0.000 1.372 275 L CA 0.422 55.203 54.840 -0.098 0.000 0.857 275 L CB 0.541 42.596 42.059 -0.008 0.000 1.024 275 L HN 0.186 nan 8.230 nan 0.000 0.507 276 T N 3.427 117.868 114.554 -0.189 0.000 2.902 276 T HA 0.296 4.645 4.350 -0.001 0.000 0.301 276 T C -0.182 174.607 174.700 0.149 0.000 1.012 276 T CA 0.644 62.714 62.100 -0.049 0.000 1.151 276 T CB -0.083 68.753 68.868 -0.053 0.000 0.946 276 T HN 0.131 nan 8.240 nan 0.000 0.542 277 F N 3.589 123.424 119.950 -0.192 0.000 2.404 277 F HA 0.531 5.058 4.527 -0.001 0.000 0.345 277 F C 0.556 176.172 175.800 -0.306 0.000 1.110 277 F CA -1.549 56.235 58.000 -0.360 0.000 1.130 277 F CB 0.795 39.455 39.000 -0.566 0.000 1.129 277 F HN 0.282 nan 8.300 nan 0.000 0.500 278 V N -0.488 119.313 119.914 -0.188 0.000 3.040 278 V HA 0.654 4.774 4.120 -0.001 0.000 0.312 278 V C -0.206 175.874 176.094 -0.023 0.000 1.115 278 V CA -0.895 61.383 62.300 -0.038 0.000 0.998 278 V CB 1.423 33.199 31.823 -0.079 0.000 1.042 278 V HN 0.709 nan 8.190 nan 0.000 0.433 279 T N 2.886 117.573 114.554 0.221 0.000 2.919 279 T HA 0.372 4.722 4.350 -0.001 0.000 0.302 279 T C -1.102 173.698 174.700 0.167 0.000 1.031 279 T CA -0.768 61.468 62.100 0.228 0.000 1.127 279 T CB 1.179 70.180 68.868 0.222 0.000 0.952 279 T HN 0.854 nan 8.240 nan 0.000 0.540 280 P HA -0.039 nan 4.420 nan 0.000 0.230 280 P C 1.308 178.696 177.300 0.147 0.000 1.158 280 P CA 0.866 64.044 63.100 0.130 0.000 0.769 280 P CB -0.389 31.354 31.700 0.071 0.000 0.807 281 T N -2.875 111.779 114.554 0.166 0.000 3.077 281 T HA -0.032 4.318 4.350 -0.001 0.000 0.269 281 T C 1.701 176.525 174.700 0.207 0.000 1.146 281 T CA 0.499 62.715 62.100 0.194 0.000 1.091 281 T CB -1.154 67.892 68.868 0.295 0.000 0.892 281 T HN 0.093 nan 8.240 nan 0.000 0.533 282 L N -0.128 121.233 121.223 0.231 0.000 2.478 282 L HA 0.275 4.614 4.340 -0.001 0.000 0.223 282 L C 1.165 178.149 176.870 0.190 0.000 1.140 282 L CA 0.369 55.369 54.840 0.267 0.000 0.842 282 L CB -0.405 41.911 42.059 0.429 0.000 0.953 282 L HN 0.309 nan 8.230 nan 0.000 0.452 283 L N 0.874 122.174 121.223 0.128 0.000 2.437 283 L HA 0.135 4.474 4.340 -0.001 0.000 0.243 283 L C 1.661 178.546 176.870 0.024 0.000 1.346 283 L CA -0.425 54.430 54.840 0.025 0.000 1.233 283 L CB 0.059 42.130 42.059 0.019 0.000 1.436 283 L HN 0.101 nan 8.230 nan 0.000 0.416 284 A N 0.644 123.485 122.820 0.034 0.000 2.119 284 A HA 0.225 4.544 4.320 -0.001 0.000 0.216 284 A C 1.905 179.497 177.584 0.014 0.000 1.152 284 A CA 1.004 53.056 52.037 0.026 0.000 0.708 284 A CB -0.118 18.898 19.000 0.028 0.000 0.805 284 A HN 0.764 nan 8.150 nan 0.000 0.460 285 G N -0.254 108.558 108.800 0.020 0.000 2.213 285 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.236 285 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.236 285 G C 0.234 175.198 174.900 0.106 0.000 0.991 285 G CA 0.886 46.000 45.100 0.023 0.000 0.629 285 G HN 0.951 nan 8.290 nan 0.000 0.517 286 D N -0.457 120.011 120.400 0.114 0.000 2.562 286 D HA 0.237 4.877 4.640 -0.001 0.000 0.246 286 D C 0.957 177.319 176.300 0.102 0.000 1.347 286 D CA 0.363 54.449 54.000 0.144 0.000 0.800 286 D CB -0.461 40.373 40.800 0.057 0.000 1.111 286 D HN 0.489 nan 8.370 nan 0.000 0.508 287 K N -0.148 120.299 120.400 0.079 0.000 3.407 287 K HA -0.229 4.090 4.320 -0.001 0.000 0.312 287 K C 1.169 177.829 176.600 0.100 0.000 1.302 287 K CA 1.089 57.415 56.287 0.064 0.000 0.931 287 K CB -2.288 30.224 32.500 0.021 0.000 1.257 287 K HN 0.344 nan 8.250 nan 0.000 0.454 288 S N 0.394 116.130 115.700 0.061 0.000 2.453 288 S HA -0.042 4.427 4.470 -0.001 0.000 0.231 288 S C 1.376 176.047 174.600 0.120 0.000 1.005 288 S CA 0.716 58.930 58.200 0.023 0.000 0.949 288 S CB -0.093 63.011 63.200 -0.160 0.000 0.774 288 S HN 0.413 nan 8.310 nan 0.000 0.510 289 L N 2.511 123.824 121.223 0.151 0.000 2.791 289 L HA 0.286 4.625 4.340 -0.001 0.000 0.239 289 L C 1.970 178.998 176.870 0.264 0.000 1.203 289 L CA 0.243 55.206 54.840 0.205 0.000 1.002 289 L CB -0.321 41.851 42.059 0.187 0.000 1.295 289 L HN 0.404 nan 8.230 nan 0.000 0.504 290 S N -0.290 115.581 115.700 0.285 0.000 2.537 290 S HA -0.171 4.299 4.470 -0.001 0.000 0.240 290 S C 1.731 176.505 174.600 0.289 0.000 0.981 290 S CA 0.963 59.353 58.200 0.317 0.000 0.948 290 S CB -0.547 62.844 63.200 0.318 0.000 0.759 290 S HN 0.690 nan 8.310 nan 0.000 0.531 291 N N 1.947 120.816 118.700 0.281 0.000 2.289 291 N HA -0.104 4.636 4.740 -0.001 0.000 0.184 291 N C 1.485 177.132 175.510 0.228 0.000 1.016 291 N CA 1.328 54.529 53.050 0.251 0.000 0.872 291 N CB -0.721 37.895 38.487 0.216 0.000 0.973 291 N HN 0.433 nan 8.380 nan 0.000 0.433 292 V N 1.578 121.617 119.914 0.208 0.000 2.427 292 V HA -0.156 3.963 4.120 -0.001 0.000 0.248 292 V C 2.566 178.797 176.094 0.227 0.000 1.051 292 V CA 0.913 63.327 62.300 0.190 0.000 1.048 292 V CB -0.386 31.527 31.823 0.149 0.000 0.666 292 V HN 0.204 nan 8.190 nan 0.000 0.456 293 I N 0.889 121.579 120.570 0.200 0.000 2.226 293 I HA -0.197 3.972 4.170 -0.001 0.000 0.245 293 I C 2.747 178.985 176.117 0.203 0.000 1.100 293 I CA 1.903 63.312 61.300 0.180 0.000 1.374 293 I CB -1.780 36.313 38.000 0.155 0.000 1.057 293 I HN 0.304 nan 8.210 nan 0.000 0.413 294 A N 0.054 122.997 122.820 0.205 0.000 1.940 294 A HA -0.292 4.027 4.320 -0.001 0.000 0.219 294 A C 2.311 180.004 177.584 0.182 0.000 1.176 294 A CA 2.172 54.312 52.037 0.173 0.000 0.631 294 A CB -1.129 17.980 19.000 0.182 0.000 0.814 294 A HN 0.566 nan 8.150 nan 0.000 0.446 295 H N -0.427 118.725 119.070 0.135 0.000 2.299 295 H HA -0.086 4.469 4.556 -0.001 0.000 0.302 295 H C 2.054 177.473 175.328 0.152 0.000 1.078 295 H CA 1.849 57.969 56.048 0.120 0.000 1.323 295 H CB 0.108 29.958 29.762 0.148 0.000 1.381 295 H HN 0.381 nan 8.280 nan 0.000 0.498 296 E N 0.553 120.988 120.200 0.392 0.000 2.077 296 E HA -0.142 4.208 4.350 -0.001 0.000 0.193 296 E C 2.567 179.368 176.600 0.335 0.000 0.989 296 E CA 0.983 57.633 56.400 0.417 0.000 0.800 296 E CB -0.325 29.610 29.700 0.392 0.000 0.746 296 E HN 0.595 nan 8.360 nan 0.000 0.452 297 I N 1.300 122.006 120.570 0.226 0.000 2.151 297 I HA -0.323 3.846 4.170 -0.001 0.000 0.243 297 I C 2.325 178.622 176.117 0.301 0.000 1.080 297 I CA 1.317 62.658 61.300 0.068 0.000 1.339 297 I CB -0.272 37.677 38.000 -0.085 0.000 1.039 297 I HN -0.018 nan 8.210 nan 0.000 0.409 298 S N -0.758 115.083 115.700 0.234 0.000 2.399 298 S HA -0.205 4.265 4.470 -0.001 0.000 0.231 298 S C 1.886 176.676 174.600 0.316 0.000 1.022 298 S CA 0.947 59.311 58.200 0.274 0.000 0.983 298 S CB -0.485 62.734 63.200 0.032 0.000 0.803 298 S HN 0.432 nan 8.310 nan 0.000 0.480 299 H N 1.609 120.789 119.070 0.183 0.000 2.518 299 H HA 0.040 4.596 4.556 -0.001 0.000 0.292 299 H C 2.099 177.475 175.328 0.080 0.000 1.068 299 H CA 1.035 57.160 56.048 0.129 0.000 1.275 299 H CB -0.397 29.422 29.762 0.095 0.000 1.375 299 H HN 0.327 nan 8.280 nan 0.000 0.563 300 S N -0.495 115.307 115.700 0.170 0.000 2.500 300 S HA -0.130 4.339 4.470 -0.001 0.000 0.239 300 S C 1.569 176.046 174.600 -0.204 0.000 0.989 300 S CA 0.596 58.681 58.200 -0.192 0.000 0.951 300 S CB 0.015 63.006 63.200 -0.348 0.000 0.759 300 S HN 0.545 nan 8.310 nan 0.000 0.523 301 W N 1.223 122.628 121.300 0.176 0.000 3.330 301 W HA 0.144 4.804 4.660 -0.001 0.000 0.243 301 W C 0.540 177.099 176.519 0.066 0.000 0.954 301 W CA 0.256 57.665 57.345 0.106 0.000 2.074 301 W CB -1.013 28.495 29.460 0.080 0.000 1.096 301 W HN 0.146 nan 8.180 nan 0.000 0.643 302 T N -0.298 114.470 114.554 0.357 0.000 2.875 302 T HA 0.575 4.924 4.350 -0.001 0.000 0.307 302 T C 0.660 175.546 174.700 0.310 0.000 1.013 302 T CA 0.580 62.828 62.100 0.248 0.000 0.970 302 T CB 0.786 69.805 68.868 0.251 0.000 0.986 302 T HN 0.408 nan 8.240 nan 0.000 0.536 303 G N 4.289 113.221 108.800 0.221 0.000 3.131 303 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.198 303 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.198 303 G C 0.966 175.953 174.900 0.145 0.000 1.435 303 G CA -0.102 45.143 45.100 0.243 0.000 1.016 303 G HN 0.532 nan 8.290 nan 0.000 0.499 304 N N 0.566 119.324 118.700 0.097 0.000 2.368 304 N HA 0.293 5.032 4.740 -0.001 0.000 0.176 304 N C 2.198 177.810 175.510 0.171 0.000 1.021 304 N CA 1.007 54.070 53.050 0.021 0.000 0.888 304 N CB -0.015 38.328 38.487 -0.239 0.000 0.995 304 N HN 0.478 nan 8.380 nan 0.000 0.437 305 L N -0.320 120.966 121.223 0.105 0.000 2.185 305 L HA 0.190 4.530 4.340 -0.001 0.000 0.198 305 L C 0.536 177.315 176.870 -0.151 0.000 1.079 305 L CA 0.308 55.086 54.840 -0.105 0.000 0.780 305 L CB 0.114 42.029 42.059 -0.239 0.000 0.955 305 L HN -0.043 nan 8.230 nan 0.000 0.462 306 V N 0.698 120.541 119.914 -0.119 0.000 2.383 306 V HA 0.342 4.462 4.120 -0.001 0.000 0.275 306 V C -0.562 175.484 176.094 -0.081 0.000 1.036 306 V CA -0.049 62.152 62.300 -0.165 0.000 0.889 306 V CB 1.338 32.947 31.823 -0.356 0.000 0.985 306 V HN 0.184 nan 8.190 nan 0.000 0.459 307 T N 7.129 121.636 114.554 -0.079 0.000 2.841 307 T HA 0.382 4.732 4.350 -0.001 0.000 0.283 307 T C -0.224 174.424 174.700 -0.087 0.000 1.000 307 T CA -0.580 61.507 62.100 -0.021 0.000 0.977 307 T CB 0.876 69.754 68.868 0.016 0.000 0.979 307 T HN 0.918 nan 8.240 nan 0.000 0.446 308 N N 2.538 121.189 118.700 -0.082 0.000 2.411 308 N HA -0.010 4.729 4.740 -0.001 0.000 0.261 308 N C 0.910 176.291 175.510 -0.214 0.000 1.248 308 N CA -0.336 52.633 53.050 -0.135 0.000 0.885 308 N CB 1.299 39.743 38.487 -0.073 0.000 1.062 308 N HN 0.589 nan 8.380 nan 0.000 0.471 309 K N 1.208 121.504 120.400 -0.174 0.000 2.097 309 K HA -0.107 4.212 4.320 -0.001 0.000 0.205 309 K C 0.689 177.176 176.600 -0.189 0.000 1.050 309 K CA 1.395 57.583 56.287 -0.165 0.000 0.938 309 K CB 0.083 32.498 32.500 -0.142 0.000 0.718 309 K HN 0.862 nan 8.250 nan 0.000 0.442 310 T N -5.074 109.405 114.554 -0.124 0.000 2.838 310 T HA 0.209 4.558 4.350 -0.001 0.000 0.292 310 T C 0.025 174.595 174.700 -0.216 0.000 1.113 310 T CA -0.925 61.049 62.100 -0.210 0.000 1.008 310 T CB 0.277 69.157 68.868 0.022 0.000 1.259 310 T HN 0.289 nan 8.240 nan 0.000 0.520 311 W N 0.216 121.539 121.300 0.038 0.000 2.699 311 W HA 0.123 4.782 4.660 -0.001 0.000 0.249 311 W C 1.342 177.872 176.519 0.019 0.000 1.280 311 W CA -0.037 57.299 57.345 -0.015 0.000 1.345 311 W CB -0.135 29.244 29.460 -0.134 0.000 1.128 311 W HN 0.706 nan 8.180 nan 0.000 0.642 312 D N -1.085 119.393 120.400 0.130 0.000 2.221 312 D HA -0.156 4.483 4.640 -0.001 0.000 0.204 312 D C 1.355 177.571 176.300 -0.140 0.000 0.982 312 D CA 1.318 55.285 54.000 -0.054 0.000 0.857 312 D CB -0.394 40.261 40.800 -0.241 0.000 0.934 312 D HN 0.338 nan 8.370 nan 0.000 0.475 313 H N -0.908 118.303 119.070 0.235 0.000 2.507 313 H HA 0.063 4.618 4.556 -0.001 0.000 0.294 313 H C 1.138 176.555 175.328 0.148 0.000 1.064 313 H CA -0.372 55.798 56.048 0.202 0.000 1.138 313 H CB -0.225 29.574 29.762 0.062 0.000 1.515 313 H HN 0.075 nan 8.280 nan 0.000 0.547 314 F N 2.296 122.354 119.950 0.180 0.000 2.202 314 F HA -0.244 4.283 4.527 -0.001 0.000 0.301 314 F C 2.350 178.216 175.800 0.110 0.000 1.082 314 F CA 1.076 59.185 58.000 0.183 0.000 1.313 314 F CB -0.316 38.842 39.000 0.264 0.000 1.024 314 F HN 0.370 nan 8.300 nan 0.000 0.495 315 W N 0.854 122.146 121.300 -0.014 0.000 2.364 315 W HA -0.224 4.436 4.660 -0.001 0.000 0.281 315 W C 1.502 177.950 176.519 -0.119 0.000 1.219 315 W CA 1.074 58.323 57.345 -0.160 0.000 1.220 315 W CB -1.438 27.976 29.460 -0.077 0.000 1.127 315 W HN 0.147 nan 8.180 nan 0.000 0.556 316 L N 1.441 122.074 121.223 -0.983 0.000 2.017 316 L HA -0.285 4.054 4.340 -0.001 0.000 0.208 316 L C 2.593 179.300 176.870 -0.271 0.000 1.073 316 L CA 1.990 56.269 54.840 -0.934 0.000 0.745 316 L CB -1.077 40.587 42.059 -0.658 0.000 0.894 316 L HN -0.025 nan 8.230 nan 0.000 0.432 317 N N -0.375 118.217 118.700 -0.180 0.000 2.043 317 N HA -0.183 4.557 4.740 -0.001 0.000 0.193 317 N C 1.830 177.320 175.510 -0.032 0.000 1.037 317 N CA 1.305 54.349 53.050 -0.011 0.000 0.851 317 N CB -0.139 38.381 38.487 0.056 0.000 1.027 317 N HN 0.245 nan 8.380 nan 0.000 0.422 318 E N -0.363 119.647 120.200 -0.317 0.000 2.086 318 E HA 0.078 4.428 4.350 -0.001 0.000 0.190 318 E C 2.094 178.652 176.600 -0.071 0.000 0.975 318 E CA 0.797 56.984 56.400 -0.356 0.000 0.813 318 E CB -0.844 28.204 29.700 -1.087 0.000 0.768 318 E HN 0.387 nan 8.360 nan 0.000 0.457 319 G N 0.814 109.616 108.800 0.004 0.000 2.446 319 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.217 319 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.217 319 G C 1.281 176.266 174.900 0.143 0.000 1.168 319 G CA 1.205 46.402 45.100 0.161 0.000 0.771 319 G HN 0.334 nan 8.290 nan 0.000 0.551 320 H N -0.353 118.772 119.070 0.092 0.000 2.423 320 H HA 0.052 4.608 4.556 -0.001 0.000 0.297 320 H C 2.867 178.311 175.328 0.193 0.000 1.075 320 H CA 1.631 57.779 56.048 0.167 0.000 1.342 320 H CB 0.030 29.847 29.762 0.092 0.000 1.395 320 H HN 0.293 nan 8.280 nan 0.000 0.530 321 T N -0.372 114.259 114.554 0.129 0.000 2.812 321 T HA -0.091 4.259 4.350 -0.001 0.000 0.264 321 T C 2.263 176.933 174.700 -0.051 0.000 1.042 321 T CA 1.053 63.066 62.100 -0.146 0.000 1.140 321 T CB -0.269 68.140 68.868 -0.765 0.000 0.870 321 T HN 0.089 nan 8.240 nan 0.000 0.445 322 V N 0.646 120.655 119.914 0.159 0.000 2.407 322 V HA -0.179 3.940 4.120 -0.001 0.000 0.248 322 V C 2.009 178.300 176.094 0.329 0.000 1.055 322 V CA 1.570 64.041 62.300 0.285 0.000 1.049 322 V CB -0.720 31.305 31.823 0.337 0.000 0.662 322 V HN 0.506 nan 8.190 nan 0.000 0.455 323 Y N 0.263 120.804 120.300 0.402 0.000 2.181 323 Y HA -0.195 4.355 4.550 -0.001 0.000 0.288 323 Y C 2.222 178.335 175.900 0.355 0.000 1.146 323 Y CA 1.669 60.053 58.100 0.473 0.000 1.164 323 Y CB -0.113 38.571 38.460 0.374 0.000 0.982 323 Y HN 0.127 nan 8.280 nan 0.000 0.515 324 L N -0.001 121.436 121.223 0.358 0.000 2.109 324 L HA -0.171 4.169 4.340 -0.001 0.000 0.207 324 L C 2.553 179.500 176.870 0.128 0.000 1.086 324 L CA 1.659 56.639 54.840 0.234 0.000 0.760 324 L CB -0.649 41.516 42.059 0.178 0.000 0.910 324 L HN 0.316 nan 8.230 nan 0.000 0.437 325 E N 0.830 121.091 120.200 0.101 0.000 2.070 325 E HA -0.281 4.068 4.350 -0.001 0.000 0.197 325 E C 2.265 178.906 176.600 0.068 0.000 1.004 325 E CA 1.561 58.020 56.400 0.098 0.000 0.805 325 E CB 0.042 29.829 29.700 0.146 0.000 0.744 325 E HN 0.413 nan 8.360 nan 0.000 0.451 326 R N -0.892 119.598 120.500 -0.017 0.000 2.148 326 R HA -0.044 4.296 4.340 -0.001 0.000 0.223 326 R C 2.468 178.701 176.300 -0.113 0.000 1.088 326 R CA 0.822 56.850 56.100 -0.120 0.000 0.985 326 R CB -0.229 29.895 30.300 -0.294 0.000 0.880 326 R HN 0.372 nan 8.270 nan 0.000 0.451 327 H N 0.820 119.851 119.070 -0.064 0.000 2.357 327 H HA -0.032 4.523 4.556 -0.001 0.000 0.301 327 H C 2.186 177.521 175.328 0.013 0.000 1.082 327 H CA 1.288 57.312 56.048 -0.040 0.000 1.342 327 H CB -0.008 29.707 29.762 -0.079 0.000 1.389 327 H HN 0.147 nan 8.280 nan 0.000 0.511 328 I N -0.075 120.580 120.570 0.141 0.000 2.163 328 I HA -0.318 3.851 4.170 -0.001 0.000 0.243 328 I C 2.661 178.844 176.117 0.110 0.000 1.085 328 I CA 1.077 62.432 61.300 0.092 0.000 1.347 328 I CB -0.292 37.755 38.000 0.079 0.000 1.044 328 I HN 0.224 nan 8.210 nan 0.000 0.408 329 C N 0.777 120.191 119.300 0.190 0.000 2.440 329 C HA -0.048 4.411 4.460 -0.001 0.000 0.278 329 C C 2.990 178.213 174.990 0.388 0.000 1.295 329 C CA 0.795 60.036 59.018 0.372 0.000 1.738 329 C CB -1.710 26.297 27.740 0.445 0.000 1.987 329 C HN 0.677 nan 8.230 nan 0.000 0.492 330 G N 0.601 109.552 108.800 0.252 0.000 2.476 330 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.218 330 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.218 330 G C 1.816 176.810 174.900 0.156 0.000 1.164 330 G CA 0.603 45.838 45.100 0.225 0.000 0.768 330 G HN 0.480 nan 8.290 nan 0.000 0.560 331 R N -0.113 120.444 120.500 0.096 0.000 2.073 331 R HA 0.053 4.392 4.340 -0.001 0.000 0.234 331 R C 2.723 178.969 176.300 -0.090 0.000 1.134 331 R CA 0.867 56.978 56.100 0.019 0.000 0.952 331 R CB -0.805 29.494 30.300 -0.001 0.000 0.850 331 R HN 0.393 nan 8.270 nan 0.000 0.433 332 L N -0.817 120.270 121.223 -0.228 0.000 2.056 332 L HA -0.101 4.238 4.340 -0.001 0.000 0.207 332 L C 1.448 177.881 176.870 -0.729 0.000 1.078 332 L CA 1.339 55.805 54.840 -0.623 0.000 0.749 332 L CB -0.129 41.245 42.059 -1.141 0.000 0.901 332 L HN 0.087 nan 8.230 nan 0.000 0.433 333 F N -1.118 118.846 119.950 0.023 0.000 2.746 333 F HA 0.482 5.009 4.527 -0.001 0.000 0.320 333 F C 0.918 176.721 175.800 0.006 0.000 1.097 333 F CA 0.008 57.963 58.000 -0.075 0.000 1.195 333 F CB 0.452 39.245 39.000 -0.345 0.000 1.056 333 F HN -0.009 nan 8.300 nan 0.000 0.562 334 G N 0.863 109.794 108.800 0.218 0.000 2.576 334 G HA2 -0.115 3.844 3.960 -0.001 0.000 0.686 334 G HA3 -0.115 3.844 3.960 -0.001 0.000 0.686 334 G C 0.062 175.110 174.900 0.247 0.000 1.242 334 G CA -0.369 44.843 45.100 0.187 0.000 0.819 334 G HN 0.035 nan 8.290 nan 0.000 0.655 335 E N 0.372 120.690 120.200 0.197 0.000 2.118 335 E HA -0.092 4.257 4.350 -0.001 0.000 0.195 335 E C 2.271 179.029 176.600 0.263 0.000 0.992 335 E CA 2.252 58.790 56.400 0.230 0.000 0.804 335 E CB -0.110 29.696 29.700 0.176 0.000 0.741 335 E HN 0.602 nan 8.360 nan 0.000 0.458 336 K N -0.941 119.579 120.400 0.201 0.000 2.152 336 K HA -0.141 4.178 4.320 -0.001 0.000 0.206 336 K C 1.918 178.709 176.600 0.318 0.000 1.048 336 K CA 1.286 57.696 56.287 0.205 0.000 0.933 336 K CB -0.294 32.293 32.500 0.146 0.000 0.721 336 K HN 0.176 nan 8.250 nan 0.000 0.447 337 F N 1.705 121.745 119.950 0.151 0.000 2.187 337 F HA -0.044 4.482 4.527 -0.001 0.000 0.295 337 F C 2.386 178.305 175.800 0.198 0.000 1.091 337 F CA 1.038 59.119 58.000 0.135 0.000 1.308 337 F CB -0.118 38.920 39.000 0.063 0.000 1.030 337 F HN -0.165 nan 8.300 nan 0.000 0.487 338 R N -0.550 120.045 120.500 0.159 0.000 2.096 338 R HA -0.219 4.121 4.340 -0.001 0.000 0.240 338 R C 2.421 178.699 176.300 -0.036 0.000 1.139 338 R CA 2.173 58.269 56.100 -0.006 0.000 0.952 338 R CB -0.775 29.557 30.300 0.052 0.000 0.854 338 R HN 0.423 nan 8.270 nan 0.000 0.436 339 H N -1.062 118.048 119.070 0.066 0.000 2.353 339 H HA -0.181 4.375 4.556 -0.001 0.000 0.300 339 H C 2.012 177.417 175.328 0.127 0.000 1.090 339 H CA 1.798 57.939 56.048 0.157 0.000 1.327 339 H CB -0.289 29.624 29.762 0.251 0.000 1.383 339 H HN 0.281 nan 8.280 nan 0.000 0.508 340 F N 2.164 122.148 119.950 0.056 0.000 2.095 340 F HA -0.232 4.294 4.527 -0.001 0.000 0.298 340 F C 1.961 177.652 175.800 -0.181 0.000 1.104 340 F CA 1.817 59.790 58.000 -0.045 0.000 1.232 340 F CB -0.416 38.560 39.000 -0.040 0.000 0.987 340 F HN 0.052 nan 8.300 nan 0.000 0.475 341 N N 0.105 118.634 118.700 -0.283 0.000 2.188 341 N HA -0.120 4.619 4.740 -0.001 0.000 0.184 341 N C 2.034 177.295 175.510 -0.415 0.000 1.018 341 N CA 0.903 53.699 53.050 -0.424 0.000 0.858 341 N CB -0.364 37.845 38.487 -0.463 0.000 0.989 341 N HN 0.405 nan 8.380 nan 0.000 0.426 342 A N 1.194 123.792 122.820 -0.370 0.000 1.883 342 A HA -0.146 4.174 4.320 -0.001 0.000 0.217 342 A C 2.110 179.620 177.584 -0.124 0.000 1.186 342 A CA 1.144 52.999 52.037 -0.304 0.000 0.624 342 A CB -0.778 18.074 19.000 -0.246 0.000 0.822 342 A HN 0.252 nan 8.150 nan 0.000 0.444 343 L N 0.162 121.223 121.223 -0.271 0.000 2.083 343 L HA -0.002 4.337 4.340 -0.001 0.000 0.209 343 L C 2.402 179.060 176.870 -0.353 0.000 1.083 343 L CA 2.250 56.723 54.840 -0.611 0.000 0.752 343 L CB -1.209 40.534 42.059 -0.526 0.000 0.899 343 L HN 0.315 nan 8.230 nan 0.000 0.433 344 G N -0.945 107.618 108.800 -0.395 0.000 2.446 344 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.217 344 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.217 344 G C 1.540 176.328 174.900 -0.187 0.000 1.168 344 G CA 0.640 45.541 45.100 -0.332 0.000 0.771 344 G HN 0.589 nan 8.290 nan 0.000 0.551 345 G N -0.171 108.519 108.800 -0.183 0.000 2.422 345 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.218 345 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.218 345 G C 1.591 176.499 174.900 0.014 0.000 1.146 345 G CA 0.886 45.921 45.100 -0.108 0.000 0.769 345 G HN 0.442 nan 8.290 nan 0.000 0.547 346 W N 1.944 123.179 121.300 -0.108 0.000 2.338 346 W HA -0.102 4.557 4.660 -0.001 0.000 0.304 346 W C 2.242 178.711 176.519 -0.084 0.000 1.212 346 W CA 1.667 58.978 57.345 -0.056 0.000 1.264 346 W CB -0.515 28.866 29.460 -0.133 0.000 1.142 346 W HN 0.224 nan 8.180 nan 0.000 0.512 347 G N 0.401 109.227 108.800 0.043 0.000 2.422 347 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.218 347 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.218 347 G C 1.369 176.206 174.900 -0.105 0.000 1.146 347 G CA 0.870 45.952 45.100 -0.030 0.000 0.769 347 G HN 0.201 nan 8.290 nan 0.000 0.547 348 E N 0.108 120.245 120.200 -0.105 0.000 2.072 348 E HA -0.079 4.271 4.350 -0.001 0.000 0.191 348 E C 2.477 178.995 176.600 -0.137 0.000 0.985 348 E CA 0.489 56.826 56.400 -0.106 0.000 0.801 348 E CB -0.446 29.198 29.700 -0.093 0.000 0.750 348 E HN 0.384 nan 8.360 nan 0.000 0.452 349 L N 1.655 122.768 121.223 -0.185 0.000 2.046 349 L HA -0.214 4.126 4.340 -0.001 0.000 0.208 349 L C 2.154 178.841 176.870 -0.305 0.000 1.077 349 L CA 1.766 56.455 54.840 -0.251 0.000 0.747 349 L CB -0.459 41.372 42.059 -0.379 0.000 0.896 349 L HN 0.069 nan 8.230 nan 0.000 0.432 350 Q N -0.821 118.763 119.800 -0.360 0.000 2.084 350 Q HA -0.198 4.142 4.340 -0.001 0.000 0.202 350 Q C 1.965 177.868 176.000 -0.162 0.000 0.978 350 Q CA 1.618 57.262 55.803 -0.265 0.000 0.844 350 Q CB -0.304 28.324 28.738 -0.184 0.000 0.898 350 Q HN 0.554 nan 8.270 nan 0.000 0.426 351 N N 0.314 118.929 118.700 -0.142 0.000 2.069 351 N HA -0.127 4.613 4.740 -0.001 0.000 0.191 351 N C 1.865 177.292 175.510 -0.139 0.000 1.031 351 N CA 1.495 54.472 53.050 -0.123 0.000 0.852 351 N CB -0.490 37.933 38.487 -0.106 0.000 1.018 351 N HN 0.054 nan 8.380 nan 0.000 0.423 352 S N 0.205 115.823 115.700 -0.136 0.000 2.356 352 S HA -0.045 4.424 4.470 -0.001 0.000 0.223 352 S C 2.208 176.768 174.600 -0.066 0.000 1.032 352 S CA 0.755 58.872 58.200 -0.139 0.000 1.005 352 S CB -0.268 62.908 63.200 -0.041 0.000 0.867 352 S HN 0.094 nan 8.310 nan 0.000 0.449 353 V N 1.774 121.665 119.914 -0.038 0.000 2.407 353 V HA -0.156 3.963 4.120 -0.001 0.000 0.248 353 V C 2.352 178.439 176.094 -0.012 0.000 1.055 353 V CA 1.609 63.913 62.300 0.007 0.000 1.049 353 V CB -0.470 31.313 31.823 -0.066 0.000 0.662 353 V HN 0.410 nan 8.190 nan 0.000 0.455 354 K N -0.408 119.952 120.400 -0.066 0.000 2.148 354 K HA -0.147 4.173 4.320 -0.001 0.000 0.204 354 K C 2.179 178.729 176.600 -0.084 0.000 1.050 354 K CA 1.705 57.952 56.287 -0.066 0.000 0.942 354 K CB -0.132 32.322 32.500 -0.076 0.000 0.724 354 K HN 0.509 nan 8.250 nan 0.000 0.446 355 T N 0.447 114.909 114.554 -0.154 0.000 2.737 355 T HA -0.078 4.272 4.350 -0.001 0.000 0.265 355 T C 1.450 176.014 174.700 -0.228 0.000 1.038 355 T CA 1.213 63.170 62.100 -0.239 0.000 1.144 355 T CB -0.239 68.392 68.868 -0.395 0.000 0.866 355 T HN 0.101 nan 8.240 nan 0.000 0.434 356 F N 1.436 121.306 119.950 -0.133 0.000 2.259 356 F HA 0.336 4.863 4.527 -0.001 0.000 0.298 356 F C 1.777 177.495 175.800 -0.136 0.000 1.088 356 F CA 0.555 58.402 58.000 -0.255 0.000 1.358 356 F CB -0.668 38.136 39.000 -0.326 0.000 1.040 356 F HN 0.374 nan 8.300 nan 0.000 0.505 357 G N 0.323 109.197 108.800 0.124 0.000 2.770 357 G HA2 -0.124 3.836 3.960 -0.001 0.000 0.686 357 G HA3 -0.124 3.836 3.960 -0.001 0.000 0.686 357 G C 0.440 175.401 174.900 0.102 0.000 1.180 357 G CA -0.212 44.945 45.100 0.094 0.000 0.767 357 G HN 0.390 nan 8.290 nan 0.000 0.646 358 E N -0.447 119.781 120.200 0.046 0.000 2.478 358 E HA -0.052 4.298 4.350 -0.001 0.000 0.198 358 E C 1.666 178.277 176.600 0.018 0.000 1.046 358 E CA 1.497 57.910 56.400 0.021 0.000 0.870 358 E CB -0.046 29.649 29.700 -0.009 0.000 0.818 358 E HN 0.904 nan 8.360 nan 0.000 0.527 359 T N -2.753 111.818 114.554 0.029 0.000 3.054 359 T HA 0.054 4.403 4.350 -0.001 0.000 0.255 359 T C 0.204 174.900 174.700 -0.006 0.000 1.035 359 T CA -0.463 61.638 62.100 0.002 0.000 0.941 359 T CB -0.394 68.465 68.868 -0.015 0.000 1.026 359 T HN 0.251 nan 8.240 nan 0.000 0.533 360 H N 3.019 122.049 119.070 -0.065 0.000 2.764 360 H HA 0.232 4.788 4.556 -0.001 0.000 0.341 360 H C -1.389 173.833 175.328 -0.177 0.000 1.072 360 H CA -1.364 54.595 56.048 -0.148 0.000 1.444 360 H CB 1.282 30.961 29.762 -0.138 0.000 1.458 360 H HN -0.089 nan 8.280 nan 0.000 0.572 361 P HA -0.179 nan 4.420 nan 0.000 0.220 361 P C 0.695 178.051 177.300 0.094 0.000 1.148 361 P CA 1.029 64.025 63.100 -0.173 0.000 0.803 361 P CB 0.135 31.672 31.700 -0.271 0.000 0.782 362 F N 0.493 120.438 119.950 -0.010 0.000 2.771 362 F HA 0.009 4.536 4.527 -0.001 0.000 0.299 362 F C 1.988 177.655 175.800 -0.220 0.000 1.177 362 F CA 0.861 58.723 58.000 -0.230 0.000 1.450 362 F CB -2.000 36.541 39.000 -0.764 0.000 1.114 362 F HN 0.066 nan 8.300 nan 0.000 0.587 363 T N -3.286 111.311 114.554 0.072 0.000 3.086 363 T HA 0.111 4.461 4.350 -0.001 0.000 0.250 363 T C 0.689 175.414 174.700 0.041 0.000 1.074 363 T CA -0.275 61.870 62.100 0.075 0.000 0.988 363 T CB -0.136 68.787 68.868 0.091 0.000 0.988 363 T HN -0.020 nan 8.240 nan 0.000 0.530 364 K N 0.731 121.163 120.400 0.053 0.000 2.295 364 K HA 0.293 4.613 4.320 -0.001 0.000 0.270 364 K C 0.782 177.396 176.600 0.024 0.000 1.011 364 K CA -0.538 55.773 56.287 0.038 0.000 0.953 364 K CB 1.210 33.759 32.500 0.082 0.000 0.956 364 K HN -0.040 nan 8.250 nan 0.000 0.477 365 L N 3.153 124.342 121.223 -0.055 0.000 2.005 365 L HA -0.076 4.263 4.340 -0.001 0.000 0.207 365 L C 0.352 177.183 176.870 -0.066 0.000 1.072 365 L CA 1.635 56.383 54.840 -0.153 0.000 0.744 365 L CB 0.292 42.096 42.059 -0.426 0.000 0.895 365 L HN 0.323 nan 8.230 nan 0.000 0.433 366 V N 1.850 121.745 119.914 -0.032 0.000 2.364 366 V HA 0.301 4.420 4.120 -0.001 0.000 0.272 366 V C 0.073 176.255 176.094 0.146 0.000 1.036 366 V CA -0.502 61.874 62.300 0.127 0.000 0.880 366 V CB 0.813 32.772 31.823 0.227 0.000 0.991 366 V HN 0.144 nan 8.190 nan 0.000 0.460 367 V N 1.635 121.620 119.914 0.119 0.000 2.973 367 V HA 0.701 4.821 4.120 -0.001 0.000 0.314 367 V C -0.363 175.785 176.094 0.089 0.000 1.066 367 V CA -0.701 61.670 62.300 0.118 0.000 1.021 367 V CB 2.015 33.905 31.823 0.112 0.000 1.076 367 V HN 0.749 nan 8.190 nan 0.000 0.462 368 D N 1.666 122.126 120.400 0.100 0.000 2.441 368 D HA 0.384 5.024 4.640 -0.001 0.000 0.231 368 D C 0.201 176.558 176.300 0.095 0.000 1.073 368 D CA -0.296 53.753 54.000 0.082 0.000 0.850 368 D CB 1.223 42.066 40.800 0.070 0.000 1.062 368 D HN 0.605 nan 8.370 nan 0.000 0.524 369 L N 2.730 124.005 121.223 0.086 0.000 2.629 369 L HA 0.157 4.496 4.340 -0.001 0.000 0.230 369 L C 0.662 177.598 176.870 0.110 0.000 1.151 369 L CA -0.066 54.824 54.840 0.083 0.000 0.924 369 L CB -0.088 42.012 42.059 0.068 0.000 1.137 369 L HN 0.305 nan 8.230 nan 0.000 0.457 370 T N 1.322 115.939 114.554 0.104 0.000 2.778 370 T HA -0.072 4.277 4.350 -0.001 0.000 0.282 370 T C 0.419 175.196 174.700 0.127 0.000 0.983 370 T CA 0.292 62.455 62.100 0.105 0.000 1.193 370 T CB -0.068 68.846 68.868 0.076 0.000 0.938 370 T HN 0.326 nan 8.240 nan 0.000 0.523 371 D N 0.809 121.313 120.400 0.174 0.000 2.911 371 D HA -0.147 4.493 4.640 -0.001 0.000 0.227 371 D C -0.246 176.195 176.300 0.234 0.000 1.164 371 D CA 0.729 54.868 54.000 0.231 0.000 0.782 371 D CB -0.756 40.130 40.800 0.143 0.000 1.094 371 D HN 0.400 nan 8.370 nan 0.000 0.425 372 I N 0.858 121.524 120.570 0.160 0.000 2.406 372 I HA 0.163 4.332 4.170 -0.001 0.000 0.290 372 I C 0.565 176.437 176.117 -0.408 0.000 0.999 372 I CA -0.835 60.446 61.300 -0.032 0.000 1.124 372 I CB 1.761 39.787 38.000 0.043 0.000 1.289 372 I HN -0.214 nan 8.210 nan 0.000 0.441 373 D N 8.883 128.765 120.400 -0.863 0.000 2.382 373 D HA 0.126 4.765 4.640 -0.001 0.000 0.259 373 D C -1.699 174.295 176.300 -0.510 0.000 1.224 373 D CA -1.696 51.630 54.000 -1.123 0.000 0.894 373 D CB 1.598 41.834 40.800 -0.940 0.000 1.127 373 D HN 0.189 nan 8.370 nan 0.000 0.487 374 P HA -0.141 nan 4.420 nan 0.000 0.216 374 P C 0.671 177.782 177.300 -0.315 0.000 1.150 374 P CA 0.910 63.783 63.100 -0.378 0.000 0.843 374 P CB 0.295 31.705 31.700 -0.483 0.000 0.787 375 D N -1.213 119.035 120.400 -0.254 0.000 2.218 375 D HA -0.084 4.555 4.640 -0.001 0.000 0.204 375 D C 1.880 178.137 176.300 -0.071 0.000 0.976 375 D CA 0.858 54.782 54.000 -0.126 0.000 0.853 375 D CB -0.448 40.322 40.800 -0.050 0.000 0.939 375 D HN 0.056 nan 8.370 nan 0.000 0.481 376 V N 0.910 120.745 119.914 -0.131 0.000 2.591 376 V HA -0.092 4.028 4.120 -0.001 0.000 0.249 376 V C 2.345 178.361 176.094 -0.129 0.000 1.053 376 V CA 1.517 63.786 62.300 -0.053 0.000 1.068 376 V CB -0.301 31.508 31.823 -0.022 0.000 0.689 376 V HN 0.170 nan 8.190 nan 0.000 0.462 377 A N -1.509 121.037 122.820 -0.457 0.000 2.072 377 A HA 0.011 4.331 4.320 -0.001 0.000 0.216 377 A C 1.121 178.522 177.584 -0.305 0.000 1.156 377 A CA 0.030 51.489 52.037 -0.964 0.000 0.701 377 A CB -0.406 17.884 19.000 -1.184 0.000 0.816 377 A HN 0.509 nan 8.150 nan 0.000 0.458 378 Y N 2.132 122.317 120.300 -0.192 0.000 2.811 378 Y HA 0.275 4.825 4.550 -0.001 0.000 0.334 378 Y C 0.714 176.706 175.900 0.155 0.000 1.247 378 Y CA 0.694 58.792 58.100 -0.002 0.000 1.526 378 Y CB 0.325 38.779 38.460 -0.011 0.000 1.284 378 Y HN 0.438 nan 8.280 nan 0.000 0.586 379 S N 1.239 116.706 115.700 -0.387 0.000 2.669 379 S HA 0.219 4.688 4.470 -0.001 0.000 0.266 379 S C 0.052 174.539 174.600 -0.189 0.000 1.149 379 S CA -0.357 57.723 58.200 -0.200 0.000 0.842 379 S CB 0.702 64.047 63.200 0.242 0.000 1.160 379 S HN 0.439 nan 8.310 nan 0.000 0.487 380 S N 0.225 115.876 115.700 -0.082 0.000 2.515 380 S HA 0.022 4.492 4.470 -0.001 0.000 0.231 380 S C 1.791 176.495 174.600 0.173 0.000 0.987 380 S CA 0.867 59.061 58.200 -0.010 0.000 0.936 380 S CB -0.553 62.599 63.200 -0.080 0.000 0.766 380 S HN 0.552 nan 8.310 nan 0.000 0.528 381 V N 3.374 123.385 119.914 0.163 0.000 2.233 381 V HA -0.148 3.972 4.120 -0.001 0.000 0.247 381 V C -0.327 175.867 176.094 0.166 0.000 1.050 381 V CA 1.845 64.234 62.300 0.147 0.000 1.010 381 V CB -1.762 30.150 31.823 0.149 0.000 0.637 381 V HN 0.355 nan 8.190 nan 0.000 0.444 382 P HA -0.203 nan 4.420 nan 0.000 0.216 382 P C 1.311 178.644 177.300 0.055 0.000 1.150 382 P CA 1.884 65.056 63.100 0.120 0.000 0.843 382 P CB -0.156 31.585 31.700 0.069 0.000 0.787 383 Y N 0.725 121.068 120.300 0.071 0.000 2.089 383 Y HA -0.145 4.404 4.550 -0.001 0.000 0.282 383 Y C 2.740 178.744 175.900 0.174 0.000 1.139 383 Y CA 1.539 59.702 58.100 0.105 0.000 1.123 383 Y CB -0.846 37.643 38.460 0.049 0.000 0.980 383 Y HN -0.049 nan 8.280 nan 0.000 0.493 384 E N -0.335 120.053 120.200 0.314 0.000 2.216 384 E HA -0.057 4.293 4.350 -0.001 0.000 0.192 384 E C 1.939 178.708 176.600 0.282 0.000 0.973 384 E CA 0.363 56.927 56.400 0.274 0.000 0.851 384 E CB -0.098 29.678 29.700 0.128 0.000 0.804 384 E HN 0.382 nan 8.360 nan 0.000 0.477 385 K N 0.789 121.300 120.400 0.185 0.000 2.103 385 K HA -0.055 4.265 4.320 -0.001 0.000 0.204 385 K C 2.065 178.785 176.600 0.201 0.000 1.052 385 K CA 1.136 57.523 56.287 0.168 0.000 0.945 385 K CB -0.174 32.358 32.500 0.053 0.000 0.722 385 K HN 0.101 nan 8.250 nan 0.000 0.443 386 G N 0.959 109.872 108.800 0.189 0.000 2.459 386 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.217 386 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.217 386 G C 1.325 176.372 174.900 0.245 0.000 1.183 386 G CA 0.807 46.058 45.100 0.251 0.000 0.776 386 G HN 0.394 nan 8.290 nan 0.000 0.552 387 F N 2.523 122.595 119.950 0.203 0.000 2.095 387 F HA -0.012 4.515 4.527 -0.001 0.000 0.298 387 F C 2.843 178.805 175.800 0.269 0.000 1.104 387 F CA 1.607 59.742 58.000 0.226 0.000 1.232 387 F CB -0.410 38.714 39.000 0.207 0.000 0.987 387 F HN 0.241 nan 8.300 nan 0.000 0.475 388 A N 0.560 123.611 122.820 0.386 0.000 1.917 388 A HA -0.237 4.083 4.320 -0.001 0.000 0.219 388 A C 2.134 179.811 177.584 0.155 0.000 1.182 388 A CA 1.971 54.279 52.037 0.452 0.000 0.633 388 A CB -1.393 18.073 19.000 0.775 0.000 0.819 388 A HN 0.542 nan 8.150 nan 0.000 0.448 389 L N -0.224 120.974 121.223 -0.042 0.000 2.017 389 L HA -0.123 4.216 4.340 -0.001 0.000 0.208 389 L C 2.308 178.900 176.870 -0.463 0.000 1.073 389 L CA 1.849 56.303 54.840 -0.644 0.000 0.745 389 L CB -0.652 41.081 42.059 -0.544 0.000 0.894 389 L HN 0.423 nan 8.230 nan 0.000 0.432 390 L N -1.937 119.094 121.223 -0.320 0.000 2.093 390 L HA -0.199 4.140 4.340 -0.001 0.000 0.208 390 L C 2.457 178.959 176.870 -0.613 0.000 1.085 390 L CA 1.124 55.692 54.840 -0.452 0.000 0.755 390 L CB -0.708 41.111 42.059 -0.400 0.000 0.904 390 L HN 0.266 nan 8.230 nan 0.000 0.435 391 F N 0.024 119.588 119.950 -0.644 0.000 2.146 391 F HA -0.272 4.254 4.527 -0.001 0.000 0.298 391 F C 2.583 178.141 175.800 -0.403 0.000 1.096 391 F CA 1.230 58.914 58.000 -0.526 0.000 1.275 391 F CB -0.578 38.021 39.000 -0.669 0.000 1.008 391 F HN 0.052 nan 8.300 nan 0.000 0.480 392 Y N 0.633 120.658 120.300 -0.458 0.000 2.145 392 Y HA -0.214 4.336 4.550 -0.001 0.000 0.286 392 Y C 2.008 177.563 175.900 -0.576 0.000 1.145 392 Y CA 1.924 59.730 58.100 -0.490 0.000 1.148 392 Y CB -0.845 37.393 38.460 -0.370 0.000 0.981 392 Y HN 0.109 nan 8.280 nan 0.000 0.507 393 L N 0.364 121.047 121.223 -0.899 0.000 2.083 393 L HA -0.190 4.149 4.340 -0.001 0.000 0.209 393 L C 2.633 178.914 176.870 -0.981 0.000 1.083 393 L CA 1.862 56.103 54.840 -0.998 0.000 0.752 393 L CB -0.739 40.830 42.059 -0.816 0.000 0.899 393 L HN 0.328 nan 8.230 nan 0.000 0.433 394 E N 0.388 119.922 120.200 -1.110 0.000 2.058 394 E HA -0.297 4.052 4.350 -0.001 0.000 0.194 394 E C 2.121 178.464 176.600 -0.428 0.000 0.997 394 E CA 1.613 57.599 56.400 -0.689 0.000 0.801 394 E CB -0.022 29.469 29.700 -0.348 0.000 0.746 394 E HN 0.565 nan 8.360 nan 0.000 0.450 395 Q N -0.221 119.265 119.800 -0.524 0.000 2.172 395 Q HA -0.122 4.217 4.340 -0.001 0.000 0.200 395 Q C 2.248 178.027 176.000 -0.368 0.000 0.964 395 Q CA 0.783 56.336 55.803 -0.416 0.000 0.855 395 Q CB 0.027 28.476 28.738 -0.483 0.000 0.918 395 Q HN 0.256 nan 8.270 nan 0.000 0.444 396 L N 0.019 120.940 121.223 -0.503 0.000 2.109 396 L HA -0.075 4.264 4.340 -0.001 0.000 0.207 396 L C 1.549 178.187 176.870 -0.387 0.000 1.086 396 L CA 1.559 56.113 54.840 -0.476 0.000 0.760 396 L CB 0.046 41.676 42.059 -0.716 0.000 0.910 396 L HN 0.166 nan 8.230 nan 0.000 0.437 397 L N -1.408 119.562 121.223 -0.421 0.000 2.628 397 L HA 0.350 4.689 4.340 -0.001 0.000 0.229 397 L C 1.131 177.903 176.870 -0.163 0.000 1.137 397 L CA 0.538 55.150 54.840 -0.382 0.000 0.909 397 L CB -0.115 41.528 42.059 -0.693 0.000 1.137 397 L HN 0.417 nan 8.230 nan 0.000 0.470 398 G N -0.861 107.866 108.800 -0.121 0.000 2.175 398 G HA2 0.071 4.031 3.960 -0.001 0.000 0.182 398 G HA3 0.071 4.031 3.960 -0.001 0.000 0.182 398 G C 0.438 175.351 174.900 0.021 0.000 1.003 398 G CA -0.324 44.757 45.100 -0.031 0.000 0.666 398 G HN 0.762 nan 8.290 nan 0.000 0.506 399 G N -0.887 107.922 108.800 0.016 0.000 2.479 399 G HA2 0.392 4.351 3.960 -0.001 0.000 0.686 399 G HA3 0.392 4.351 3.960 -0.001 0.000 0.686 399 G C -1.088 173.931 174.900 0.198 0.000 1.295 399 G CA 0.223 45.368 45.100 0.077 0.000 0.922 399 G HN 0.568 nan 8.290 nan 0.000 0.582 400 P HA -0.103 nan 4.420 nan 0.000 0.216 400 P C 1.467 178.956 177.300 0.314 0.000 1.150 400 P CA 2.122 65.460 63.100 0.397 0.000 0.837 400 P CB -0.021 31.943 31.700 0.439 0.000 0.786 401 E N 0.167 120.497 120.200 0.217 0.000 2.107 401 E HA -0.109 4.241 4.350 -0.001 0.000 0.191 401 E C 2.161 178.879 176.600 0.198 0.000 0.982 401 E CA 0.645 57.142 56.400 0.160 0.000 0.809 401 E CB -0.954 28.815 29.700 0.114 0.000 0.756 401 E HN 0.155 nan 8.360 nan 0.000 0.459 402 I N 0.263 120.978 120.570 0.242 0.000 2.179 402 I HA -0.220 3.949 4.170 -0.001 0.000 0.242 402 I C 2.283 178.668 176.117 0.447 0.000 1.088 402 I CA 1.215 62.707 61.300 0.320 0.000 1.357 402 I CB -0.242 37.950 38.000 0.320 0.000 1.051 402 I HN 0.116 nan 8.210 nan 0.000 0.409 403 F N 0.719 120.860 119.950 0.319 0.000 2.407 403 F HA -0.088 4.439 4.527 -0.001 0.000 0.299 403 F C 2.096 178.112 175.800 0.360 0.000 1.097 403 F CA 1.221 59.452 58.000 0.386 0.000 1.422 403 F CB -0.044 39.117 39.000 0.267 0.000 1.067 403 F HN -0.081 nan 8.300 nan 0.000 0.539 404 L N -1.001 120.408 121.223 0.310 0.000 2.156 404 L HA -0.056 4.283 4.340 -0.001 0.000 0.208 404 L C 2.702 179.585 176.870 0.022 0.000 1.095 404 L CA 1.021 55.946 54.840 0.142 0.000 0.770 404 L CB -1.261 40.814 42.059 0.026 0.000 0.914 404 L HN 0.239 nan 8.230 nan 0.000 0.439 405 G N 0.083 108.923 108.800 0.067 0.000 2.440 405 G HA2 -0.363 3.597 3.960 -0.001 0.000 0.218 405 G HA3 -0.363 3.597 3.960 -0.001 0.000 0.218 405 G C 1.466 176.260 174.900 -0.177 0.000 1.154 405 G CA 0.803 45.932 45.100 0.048 0.000 0.767 405 G HN 0.356 nan 8.290 nan 0.000 0.552 406 F N 0.950 120.566 119.950 -0.556 0.000 2.146 406 F HA 0.095 4.622 4.527 -0.001 0.000 0.298 406 F C 2.261 177.739 175.800 -0.537 0.000 1.096 406 F CA 1.191 58.498 58.000 -1.156 0.000 1.275 406 F CB -0.322 37.998 39.000 -1.133 0.000 1.008 406 F HN 0.103 nan 8.300 nan 0.000 0.480 407 L N 0.580 121.454 121.223 -0.581 0.000 2.046 407 L HA -0.210 4.129 4.340 -0.001 0.000 0.208 407 L C 2.652 179.387 176.870 -0.224 0.000 1.077 407 L CA 1.850 56.466 54.840 -0.373 0.000 0.747 407 L CB -0.626 41.432 42.059 -0.000 0.000 0.896 407 L HN 0.166 nan 8.230 nan 0.000 0.432 408 K N -0.622 119.664 120.400 -0.190 0.000 2.025 408 K HA -0.175 4.144 4.320 -0.001 0.000 0.207 408 K C 2.024 178.534 176.600 -0.150 0.000 1.049 408 K CA 1.217 57.423 56.287 -0.134 0.000 0.933 408 K CB -0.190 32.253 32.500 -0.096 0.000 0.714 408 K HN 0.417 nan 8.250 nan 0.000 0.438 409 A N 0.566 123.277 122.820 -0.182 0.000 1.908 409 A HA -0.225 4.094 4.320 -0.001 0.000 0.218 409 A C 2.060 179.527 177.584 -0.193 0.000 1.181 409 A CA 1.636 53.620 52.037 -0.088 0.000 0.627 409 A CB -0.952 18.088 19.000 0.068 0.000 0.818 409 A HN 0.624 nan 8.150 nan 0.000 0.445 410 Y N 0.629 120.652 120.300 -0.461 0.000 2.165 410 Y HA -0.186 4.363 4.550 -0.001 0.000 0.286 410 Y C 2.226 177.901 175.900 -0.374 0.000 1.155 410 Y CA 1.987 59.757 58.100 -0.550 0.000 1.164 410 Y CB -0.442 37.620 38.460 -0.664 0.000 0.978 410 Y HN 0.055 nan 8.280 nan 0.000 0.513 411 V N 0.890 120.597 119.914 -0.343 0.000 2.295 411 V HA -0.291 3.829 4.120 -0.001 0.000 0.246 411 V C 2.191 178.103 176.094 -0.304 0.000 1.049 411 V CA 2.315 64.426 62.300 -0.315 0.000 1.024 411 V CB -0.672 31.120 31.823 -0.051 0.000 0.648 411 V HN 0.433 nan 8.190 nan 0.000 0.447 412 E N 0.104 120.153 120.200 -0.252 0.000 2.058 412 E HA -0.306 4.044 4.350 -0.001 0.000 0.194 412 E C 2.212 178.602 176.600 -0.349 0.000 0.997 412 E CA 1.660 57.923 56.400 -0.228 0.000 0.801 412 E CB -0.217 29.388 29.700 -0.158 0.000 0.746 412 E HN 0.420 nan 8.360 nan 0.000 0.450 413 K N 0.372 120.428 120.400 -0.573 0.000 2.063 413 K HA -0.133 4.186 4.320 -0.001 0.000 0.208 413 K C 0.913 176.968 176.600 -0.908 0.000 1.048 413 K CA 1.377 57.126 56.287 -0.897 0.000 0.928 413 K CB -0.078 31.442 32.500 -1.634 0.000 0.713 413 K HN 0.056 nan 8.250 nan 0.000 0.442 414 F N 0.535 120.188 119.950 -0.495 0.000 2.654 414 F HA 0.383 4.909 4.527 -0.001 0.000 0.303 414 F C 0.087 175.673 175.800 -0.357 0.000 1.099 414 F CA -0.560 57.191 58.000 -0.415 0.000 1.270 414 F CB 0.018 38.705 39.000 -0.522 0.000 1.024 414 F HN -0.272 nan 8.300 nan 0.000 0.548 415 S N 0.307 115.858 115.700 -0.248 0.000 2.563 415 S HA -0.021 4.448 4.470 -0.001 0.000 0.294 415 S C 0.024 174.439 174.600 -0.308 0.000 1.279 415 S CA 0.331 58.277 58.200 -0.423 0.000 1.069 415 S CB -0.420 62.453 63.200 -0.545 0.000 0.828 415 S HN 0.526 nan 8.310 nan 0.000 0.497 416 Y N -0.628 119.627 120.300 -0.076 0.000 4.729 416 Y HA -0.235 4.314 4.550 -0.001 0.000 0.239 416 Y C 0.480 176.354 175.900 -0.045 0.000 1.043 416 Y CA 0.457 58.516 58.100 -0.068 0.000 2.045 416 Y CB -1.635 36.768 38.460 -0.095 0.000 1.599 416 Y HN 0.401 nan 8.280 nan 0.000 0.655 417 K N 0.247 120.664 120.400 0.027 0.000 2.350 417 K HA 0.801 5.120 4.320 -0.001 0.000 0.241 417 K C -0.158 176.419 176.600 -0.037 0.000 0.994 417 K CA -0.876 55.424 56.287 0.021 0.000 0.839 417 K CB 2.052 34.591 32.500 0.065 0.000 1.244 417 K HN -0.076 nan 8.250 nan 0.000 0.443 418 S N 1.127 116.793 115.700 -0.055 0.000 2.473 418 S HA 0.681 5.151 4.470 -0.001 0.000 0.307 418 S C 0.016 174.521 174.600 -0.158 0.000 1.094 418 S CA -0.847 57.291 58.200 -0.103 0.000 1.070 418 S CB 0.577 63.726 63.200 -0.085 0.000 1.019 418 S HN 0.573 nan 8.310 nan 0.000 0.480 419 I N -0.178 120.255 120.570 -0.229 0.000 3.074 419 I HA 0.833 5.003 4.170 -0.001 0.000 0.310 419 I C -0.215 175.714 176.117 -0.312 0.000 1.153 419 I CA -0.842 60.264 61.300 -0.323 0.000 0.993 419 I CB 2.304 39.946 38.000 -0.598 0.000 1.237 419 I HN 0.586 nan 8.210 nan 0.000 0.443 420 T N -0.915 113.434 114.554 -0.343 0.000 2.938 420 T HA 0.364 4.714 4.350 -0.001 0.000 0.285 420 T C 0.844 175.395 174.700 -0.250 0.000 1.028 420 T CA -0.128 61.635 62.100 -0.561 0.000 1.005 420 T CB 1.449 69.998 68.868 -0.533 0.000 1.157 420 T HN 0.695 nan 8.240 nan 0.000 0.550 421 T N 0.985 115.462 114.554 -0.128 0.000 2.759 421 T HA -0.123 4.227 4.350 -0.001 0.000 0.269 421 T C 1.414 176.354 174.700 0.400 0.000 1.042 421 T CA 1.703 64.030 62.100 0.379 0.000 1.140 421 T CB -0.565 68.727 68.868 0.706 0.000 0.864 421 T HN 0.651 nan 8.240 nan 0.000 0.455 422 D N 1.083 121.620 120.400 0.227 0.000 2.144 422 D HA -0.086 4.554 4.640 -0.001 0.000 0.200 422 D C 1.960 178.352 176.300 0.152 0.000 0.978 422 D CA 0.866 54.973 54.000 0.178 0.000 0.833 422 D CB -0.342 40.526 40.800 0.114 0.000 0.961 422 D HN 0.348 nan 8.370 nan 0.000 0.470 423 D N -0.028 120.422 120.400 0.083 0.000 2.104 423 D HA -0.169 4.471 4.640 -0.001 0.000 0.194 423 D C 1.888 178.315 176.300 0.212 0.000 0.994 423 D CA 0.681 54.714 54.000 0.055 0.000 0.830 423 D CB -0.470 40.183 40.800 -0.244 0.000 0.959 423 D HN 0.371 nan 8.370 nan 0.000 0.452 424 W N 2.221 123.557 121.300 0.059 0.000 2.355 424 W HA -0.139 4.521 4.660 -0.001 0.000 0.309 424 W C 2.336 179.067 176.519 0.353 0.000 1.206 424 W CA 1.527 59.033 57.345 0.269 0.000 1.284 424 W CB -0.145 29.428 29.460 0.189 0.000 1.145 424 W HN -0.172 nan 8.180 nan 0.000 0.502 425 K N 0.176 120.720 120.400 0.240 0.000 2.057 425 K HA -0.249 4.071 4.320 -0.001 0.000 0.207 425 K C 1.938 178.485 176.600 -0.087 0.000 1.049 425 K CA 1.903 58.075 56.287 -0.193 0.000 0.931 425 K CB -0.670 31.773 32.500 -0.094 0.000 0.714 425 K HN 0.081 nan 8.250 nan 0.000 0.440 426 D N -0.088 120.345 120.400 0.055 0.000 2.097 426 D HA -0.186 4.453 4.640 -0.001 0.000 0.195 426 D C 1.741 178.164 176.300 0.205 0.000 0.989 426 D CA 0.989 55.050 54.000 0.102 0.000 0.827 426 D CB -0.068 40.819 40.800 0.146 0.000 0.966 426 D HN 0.176 nan 8.370 nan 0.000 0.456 427 F N 0.999 121.058 119.950 0.181 0.000 2.186 427 F HA -0.100 4.427 4.527 -0.001 0.000 0.299 427 F C 2.123 178.051 175.800 0.214 0.000 1.090 427 F CA 0.554 58.701 58.000 0.245 0.000 1.307 427 F CB -0.439 38.824 39.000 0.439 0.000 1.019 427 F HN -0.051 nan 8.300 nan 0.000 0.489 428 L N -0.440 120.757 121.223 -0.044 0.000 2.012 428 L HA -0.257 4.082 4.340 -0.001 0.000 0.210 428 L C 2.077 178.840 176.870 -0.178 0.000 1.073 428 L CA 2.005 56.622 54.840 -0.370 0.000 0.748 428 L CB -1.209 40.391 42.059 -0.766 0.000 0.891 428 L HN 0.183 nan 8.230 nan 0.000 0.431 429 Y N -0.835 119.350 120.300 -0.192 0.000 2.200 429 Y HA -0.243 4.307 4.550 -0.001 0.000 0.290 429 Y C 3.056 178.903 175.900 -0.089 0.000 1.137 429 Y CA 1.953 59.995 58.100 -0.097 0.000 1.163 429 Y CB -0.743 37.656 38.460 -0.101 0.000 0.988 429 Y HN 0.363 nan 8.280 nan 0.000 0.518 430 S N -0.757 114.962 115.700 0.032 0.000 2.359 430 S HA -0.339 4.131 4.470 -0.001 0.000 0.222 430 S C 2.040 176.522 174.600 -0.197 0.000 1.038 430 S CA 1.809 59.969 58.200 -0.067 0.000 1.051 430 S CB -0.880 62.288 63.200 -0.053 0.000 0.944 430 S HN 0.566 nan 8.310 nan 0.000 0.433 431 Y N 0.395 120.374 120.300 -0.535 0.000 2.181 431 Y HA 0.021 4.570 4.550 -0.001 0.000 0.288 431 Y C 0.830 176.386 175.900 -0.573 0.000 1.146 431 Y CA 1.591 59.308 58.100 -0.639 0.000 1.164 431 Y CB -0.166 37.791 38.460 -0.839 0.000 0.982 431 Y HN 0.337 nan 8.280 nan 0.000 0.515 432 F N 1.477 121.336 119.950 -0.152 0.000 2.986 432 F HA 0.210 4.737 4.527 -0.001 0.000 0.297 432 F C 1.549 177.232 175.800 -0.195 0.000 1.210 432 F CA -0.588 57.300 58.000 -0.187 0.000 1.346 432 F CB -0.307 38.570 39.000 -0.205 0.000 1.007 432 F HN 0.037 nan 8.300 nan 0.000 0.512 433 K N -1.106 119.259 120.400 -0.057 0.000 2.103 433 K HA -0.186 4.134 4.320 -0.001 0.000 0.207 433 K C 0.685 177.274 176.600 -0.019 0.000 1.048 433 K CA 1.931 58.201 56.287 -0.027 0.000 0.930 433 K CB -0.201 32.273 32.500 -0.043 0.000 0.716 433 K HN 0.074 nan 8.250 nan 0.000 0.444 434 D N 1.101 121.481 120.400 -0.033 0.000 2.378 434 D HA -0.022 4.618 4.640 -0.001 0.000 0.227 434 D C 0.390 176.682 176.300 -0.012 0.000 1.012 434 D CA 0.923 54.909 54.000 -0.023 0.000 0.905 434 D CB 0.248 41.026 40.800 -0.035 0.000 0.895 434 D HN 0.357 nan 8.370 nan 0.000 0.532 435 K N -0.006 120.389 120.400 -0.009 0.000 2.792 435 K HA 0.133 4.453 4.320 -0.001 0.000 0.207 435 K C 1.095 177.632 176.600 -0.105 0.000 1.103 435 K CA -0.091 56.164 56.287 -0.053 0.000 1.048 435 K CB 1.513 33.972 32.500 -0.069 0.000 0.777 435 K HN -0.161 nan 8.250 nan 0.000 0.468 436 V N 1.072 120.947 119.914 -0.066 0.000 2.626 436 V HA -0.216 3.903 4.120 -0.001 0.000 0.252 436 V C 1.069 177.156 176.094 -0.012 0.000 1.067 436 V CA 2.022 64.283 62.300 -0.065 0.000 1.081 436 V CB 0.011 31.875 31.823 0.067 0.000 0.686 436 V HN 0.344 nan 8.190 nan 0.000 0.468 437 D N -0.322 120.073 120.400 -0.008 0.000 2.144 437 D HA -0.106 4.534 4.640 -0.001 0.000 0.200 437 D C 2.179 178.465 176.300 -0.023 0.000 0.978 437 D CA 1.407 55.412 54.000 0.009 0.000 0.833 437 D CB -0.271 40.531 40.800 0.002 0.000 0.961 437 D HN 0.424 nan 8.370 nan 0.000 0.470 438 V N 1.211 121.077 119.914 -0.080 0.000 2.295 438 V HA -0.203 3.917 4.120 -0.001 0.000 0.246 438 V C 2.647 178.652 176.094 -0.148 0.000 1.049 438 V CA 1.123 63.345 62.300 -0.130 0.000 1.024 438 V CB -0.467 31.242 31.823 -0.190 0.000 0.648 438 V HN 0.191 nan 8.190 nan 0.000 0.447 439 L N 0.045 121.159 121.223 -0.182 0.000 2.127 439 L HA -0.216 4.124 4.340 -0.001 0.000 0.211 439 L C 2.053 179.026 176.870 0.172 0.000 1.089 439 L CA 1.917 56.668 54.840 -0.148 0.000 0.757 439 L CB -0.723 40.986 42.059 -0.583 0.000 0.899 439 L HN 0.465 nan 8.230 nan 0.000 0.434 440 N N -0.792 118.020 118.700 0.186 0.000 2.515 440 N HA -0.130 4.610 4.740 -0.001 0.000 0.185 440 N C 1.475 177.085 175.510 0.167 0.000 1.109 440 N CA 0.186 53.409 53.050 0.288 0.000 0.903 440 N CB 0.117 38.744 38.487 0.234 0.000 0.969 440 N HN 0.437 nan 8.380 nan 0.000 0.450 441 Q N 0.162 120.001 119.800 0.065 0.000 2.432 441 Q HA 0.085 4.425 4.340 -0.001 0.000 0.205 441 Q C -0.027 175.971 176.000 -0.002 0.000 0.945 441 Q CA 0.181 56.002 55.803 0.029 0.000 0.924 441 Q CB 0.574 29.312 28.738 -0.000 0.000 1.016 441 Q HN 0.118 nan 8.270 nan 0.000 0.503 442 V N 2.441 122.289 119.914 -0.110 0.000 2.585 442 V HA -0.057 4.063 4.120 -0.001 0.000 0.296 442 V C 0.217 176.137 176.094 -0.290 0.000 1.035 442 V CA -0.017 62.090 62.300 -0.321 0.000 1.084 442 V CB 0.858 32.070 31.823 -1.018 0.000 0.953 442 V HN 0.144 nan 8.190 nan 0.000 0.483 443 D N 4.211 124.580 120.400 -0.051 0.000 2.508 443 D HA 0.074 4.714 4.640 -0.001 0.000 0.224 443 D C 0.657 177.031 176.300 0.122 0.000 1.171 443 D CA -0.074 53.957 54.000 0.051 0.000 1.006 443 D CB 0.111 40.941 40.800 0.051 0.000 1.073 443 D HN 0.560 nan 8.370 nan 0.000 0.513 444 W N 2.307 123.772 121.300 0.275 0.000 2.358 444 W HA -0.162 4.498 4.660 -0.001 0.000 0.303 444 W C 2.272 178.911 176.519 0.199 0.000 1.208 444 W CA 0.701 58.196 57.345 0.250 0.000 1.274 444 W CB -0.356 29.241 29.460 0.228 0.000 1.138 444 W HN 0.371 nan 8.180 nan 0.000 0.515 445 N N 0.505 119.465 118.700 0.433 0.000 2.120 445 N HA -0.186 4.554 4.740 -0.001 0.000 0.188 445 N C 1.696 177.354 175.510 0.247 0.000 1.024 445 N CA 2.264 55.548 53.050 0.390 0.000 0.852 445 N CB -0.501 38.169 38.487 0.305 0.000 1.003 445 N HN 0.046 nan 8.380 nan 0.000 0.424 446 A N -0.400 122.504 122.820 0.140 0.000 1.855 446 A HA -0.075 4.245 4.320 -0.001 0.000 0.215 446 A C 2.059 179.613 177.584 -0.050 0.000 1.191 446 A CA 1.266 53.303 52.037 -0.000 0.000 0.613 446 A CB -1.388 17.545 19.000 -0.113 0.000 0.829 446 A HN 0.575 nan 8.150 nan 0.000 0.442 447 W N 0.058 121.307 121.300 -0.084 0.000 2.338 447 W HA -0.105 4.554 4.660 -0.001 0.000 0.304 447 W C 2.092 178.469 176.519 -0.238 0.000 1.212 447 W CA 1.437 58.691 57.345 -0.153 0.000 1.264 447 W CB -0.227 29.135 29.460 -0.163 0.000 1.142 447 W HN 0.232 nan 8.180 nan 0.000 0.512 448 L N -2.489 118.702 121.223 -0.053 0.000 2.249 448 L HA -0.064 4.275 4.340 -0.001 0.000 0.207 448 L C 1.152 177.693 176.870 -0.549 0.000 1.090 448 L CA 0.866 55.404 54.840 -0.503 0.000 0.802 448 L CB -0.436 41.072 42.059 -0.918 0.000 0.947 448 L HN 0.016 nan 8.230 nan 0.000 0.453 449 Y N -1.708 118.647 120.300 0.091 0.000 2.499 449 Y HA 0.276 4.825 4.550 -0.001 0.000 0.253 449 Y C 0.919 176.836 175.900 0.029 0.000 1.105 449 Y CA -0.779 57.360 58.100 0.064 0.000 1.240 449 Y CB 0.296 38.809 38.460 0.088 0.000 1.289 449 Y HN -0.144 nan 8.280 nan 0.000 0.534 450 S N 3.686 119.449 115.700 0.105 0.000 2.541 450 S HA 0.400 4.870 4.470 -0.001 0.000 0.283 450 S C -2.500 172.095 174.600 -0.008 0.000 1.196 450 S CA -1.289 56.935 58.200 0.040 0.000 1.062 450 S CB 1.290 64.489 63.200 -0.002 0.000 1.009 450 S HN -0.056 nan 8.310 nan 0.000 0.502 451 P HA 0.455 nan 4.420 nan 0.000 0.274 451 P C 0.477 177.748 177.300 -0.049 0.000 1.256 451 P CA 0.212 63.302 63.100 -0.016 0.000 0.795 451 P CB 0.255 31.951 31.700 -0.006 0.000 1.038 452 G N -0.338 108.435 108.800 -0.044 0.000 2.660 452 G HA2 -0.161 3.798 3.960 -0.001 0.000 0.247 452 G HA3 -0.161 3.798 3.960 -0.001 0.000 0.247 452 G C -0.788 174.025 174.900 -0.144 0.000 1.328 452 G CA -0.678 44.377 45.100 -0.074 0.000 0.884 452 G HN 0.555 nan 8.290 nan 0.000 0.531 453 L N 1.748 122.867 121.223 -0.175 0.000 2.483 453 L HA 0.278 4.618 4.340 -0.001 0.000 0.276 453 L C -1.289 175.404 176.870 -0.294 0.000 1.213 453 L CA -1.186 53.496 54.840 -0.263 0.000 0.843 453 L CB 0.155 42.096 42.059 -0.197 0.000 1.107 453 L HN 0.439 nan 8.230 nan 0.000 0.487 454 P HA 0.023 nan 4.420 nan 0.000 0.269 454 P C -1.983 174.971 177.300 -0.576 0.000 1.217 454 P CA -0.955 61.701 63.100 -0.741 0.000 0.783 454 P CB -0.100 30.956 31.700 -1.073 0.000 0.898 455 P HA 0.041 nan 4.420 nan 0.000 0.225 455 P C 0.194 177.290 177.300 -0.340 0.000 1.156 455 P CA 1.483 64.308 63.100 -0.458 0.000 0.787 455 P CB 0.560 31.989 31.700 -0.451 0.000 0.802 456 I N -0.273 120.041 120.570 -0.427 0.000 2.582 456 I HA 0.297 4.466 4.170 -0.001 0.000 0.292 456 I C 0.057 176.084 176.117 -0.150 0.000 1.066 456 I CA -1.147 59.993 61.300 -0.267 0.000 1.053 456 I CB 3.122 40.877 38.000 -0.408 0.000 1.241 456 I HN -0.241 nan 8.210 nan 0.000 0.421 457 K N 7.165 127.463 120.400 -0.169 0.000 2.211 457 K HA 0.509 4.828 4.320 -0.001 0.000 0.275 457 K C -2.479 173.981 176.600 -0.233 0.000 1.024 457 K CA -1.325 54.732 56.287 -0.385 0.000 0.887 457 K CB 1.415 33.517 32.500 -0.663 0.000 1.084 457 K HN 0.193 nan 8.250 nan 0.000 0.463 458 P HA 0.010 nan 4.420 nan 0.000 0.272 458 P C -1.059 176.027 177.300 -0.357 0.000 1.254 458 P CA -0.340 62.597 63.100 -0.271 0.000 0.795 458 P CB 0.443 31.926 31.700 -0.361 0.000 1.022 459 N N 0.507 118.965 118.700 -0.403 0.000 2.472 459 N HA 0.218 4.958 4.740 -0.001 0.000 0.277 459 N C -0.915 174.460 175.510 -0.224 0.000 1.081 459 N CA 0.109 53.036 53.050 -0.205 0.000 0.973 459 N CB 0.332 38.743 38.487 -0.127 0.000 1.105 459 N HN 0.356 nan 8.380 nan 0.000 0.470 460 Y N -0.408 119.994 120.300 0.170 0.000 2.361 460 Y HA 0.150 4.700 4.550 -0.001 0.000 0.337 460 Y C 0.292 176.368 175.900 0.293 0.000 0.965 460 Y CA -1.162 57.149 58.100 0.353 0.000 1.091 460 Y CB 1.250 39.840 38.460 0.216 0.000 1.182 460 Y HN 0.457 nan 8.280 nan 0.000 0.450 461 D N 2.444 123.154 120.400 0.517 0.000 2.506 461 D HA 0.010 4.649 4.640 -0.001 0.000 0.234 461 D C 0.545 177.001 176.300 0.261 0.000 1.143 461 D CA 0.571 54.694 54.000 0.204 0.000 0.871 461 D CB 0.768 41.529 40.800 -0.065 0.000 1.190 461 D HN 0.443 nan 8.370 nan 0.000 0.459 462 M N 2.183 121.887 119.600 0.175 0.000 2.333 462 M HA 0.014 4.494 4.480 -0.001 0.000 0.257 462 M C 1.668 178.063 176.300 0.158 0.000 1.078 462 M CA 0.165 55.563 55.300 0.164 0.000 1.005 462 M CB -0.427 32.246 32.600 0.122 0.000 1.444 462 M HN 0.425 nan 8.290 nan 0.000 0.496 463 T N 1.888 116.524 114.554 0.137 0.000 2.624 463 T HA -0.168 4.181 4.350 -0.001 0.000 0.268 463 T C 1.897 176.675 174.700 0.130 0.000 1.041 463 T CA 1.510 63.677 62.100 0.112 0.000 1.159 463 T CB -0.341 68.579 68.868 0.087 0.000 0.863 463 T HN 0.352 nan 8.240 nan 0.000 0.434 464 L N 0.446 121.773 121.223 0.173 0.000 2.395 464 L HA 0.014 4.354 4.340 -0.001 0.000 0.218 464 L C 2.697 179.741 176.870 0.291 0.000 1.130 464 L CA 0.804 55.731 54.840 0.144 0.000 0.826 464 L CB -0.585 41.477 42.059 0.004 0.000 0.941 464 L HN 0.300 nan 8.230 nan 0.000 0.451 465 T N -1.069 113.708 114.554 0.371 0.000 2.978 465 T HA -0.068 4.282 4.350 -0.001 0.000 0.262 465 T C 1.569 176.400 174.700 0.218 0.000 1.063 465 T CA 0.926 63.231 62.100 0.342 0.000 1.140 465 T CB -0.228 68.764 68.868 0.207 0.000 0.886 465 T HN 0.385 nan 8.240 nan 0.000 0.470 466 N N 1.482 120.283 118.700 0.168 0.000 2.094 466 N HA -0.118 4.622 4.740 -0.001 0.000 0.191 466 N C 2.121 177.711 175.510 0.134 0.000 1.023 466 N CA 1.112 54.240 53.050 0.131 0.000 0.857 466 N CB -0.174 38.375 38.487 0.103 0.000 1.013 466 N HN 0.354 nan 8.380 nan 0.000 0.426 467 A N 0.261 123.158 122.820 0.130 0.000 2.015 467 A HA -0.102 4.217 4.320 -0.001 0.000 0.219 467 A C 2.328 180.004 177.584 0.153 0.000 1.163 467 A CA 0.869 52.975 52.037 0.114 0.000 0.646 467 A CB -0.642 18.405 19.000 0.077 0.000 0.806 467 A HN 0.468 nan 8.150 nan 0.000 0.448 468 C N -0.861 118.562 119.300 0.205 0.000 2.476 468 C HA 0.042 4.502 4.460 -0.001 0.000 0.278 468 C C 2.491 177.669 174.990 0.313 0.000 1.274 468 C CA 0.701 59.891 59.018 0.287 0.000 1.713 468 C CB -1.264 26.663 27.740 0.311 0.000 2.039 468 C HN 0.626 nan 8.230 nan 0.000 0.484 469 I N 1.703 122.407 120.570 0.224 0.000 2.226 469 I HA -0.196 3.973 4.170 -0.001 0.000 0.245 469 I C 2.777 179.019 176.117 0.209 0.000 1.100 469 I CA 1.569 62.983 61.300 0.190 0.000 1.374 469 I CB -0.500 37.579 38.000 0.132 0.000 1.057 469 I HN 0.287 nan 8.210 nan 0.000 0.413 470 A N 0.507 123.441 122.820 0.190 0.000 1.902 470 A HA -0.201 4.119 4.320 -0.001 0.000 0.217 470 A C 2.220 179.950 177.584 0.243 0.000 1.181 470 A CA 1.423 53.566 52.037 0.177 0.000 0.623 470 A CB -0.720 18.358 19.000 0.130 0.000 0.818 470 A HN 0.353 nan 8.150 nan 0.000 0.443 471 L N -0.341 121.055 121.223 0.289 0.000 2.056 471 L HA -0.058 4.281 4.340 -0.001 0.000 0.207 471 L C 2.649 179.942 176.870 0.706 0.000 1.078 471 L CA 2.356 57.435 54.840 0.400 0.000 0.749 471 L CB -0.777 41.374 42.059 0.153 0.000 0.901 471 L HN 0.368 nan 8.230 nan 0.000 0.433 472 S N -1.299 114.823 115.700 0.704 0.000 2.359 472 S HA -0.229 4.241 4.470 -0.001 0.000 0.224 472 S C 1.982 176.827 174.600 0.408 0.000 1.035 472 S CA 1.313 59.840 58.200 0.545 0.000 1.018 472 S CB -0.217 63.132 63.200 0.247 0.000 0.876 472 S HN 0.549 nan 8.310 nan 0.000 0.448 473 Q N 0.765 120.749 119.800 0.306 0.000 2.124 473 Q HA -0.032 4.307 4.340 -0.001 0.000 0.202 473 Q C 2.391 178.546 176.000 0.258 0.000 0.977 473 Q CA 1.209 57.150 55.803 0.231 0.000 0.850 473 Q CB -0.444 28.393 28.738 0.166 0.000 0.901 473 Q HN 0.577 nan 8.270 nan 0.000 0.429 474 R N -0.926 119.756 120.500 0.304 0.000 2.091 474 R HA -0.174 4.166 4.340 -0.001 0.000 0.238 474 R C 2.098 178.614 176.300 0.361 0.000 1.136 474 R CA 1.526 57.794 56.100 0.281 0.000 0.959 474 R CB -0.289 30.191 30.300 0.300 0.000 0.856 474 R HN 0.312 nan 8.270 nan 0.000 0.437 475 W N 0.528 122.052 121.300 0.372 0.000 2.388 475 W HA -0.050 4.610 4.660 -0.000 0.000 0.294 475 W C 1.957 178.631 176.519 0.259 0.000 1.212 475 W CA 0.741 58.224 57.345 0.231 0.000 1.271 475 W CB -0.133 29.401 29.460 0.123 0.000 1.126 475 W HN 0.025 nan 8.180 nan 0.000 0.535 476 I N -0.317 120.492 120.570 0.398 0.000 2.353 476 I HA -0.234 3.935 4.170 -0.001 0.000 0.248 476 I C 2.475 178.707 176.117 0.191 0.000 1.119 476 I CA 1.770 63.212 61.300 0.237 0.000 1.417 476 I CB -0.711 37.382 38.000 0.154 0.000 1.078 476 I HN -0.033 nan 8.210 nan 0.000 0.421 477 T N -1.067 113.601 114.554 0.191 0.000 3.113 477 T HA 0.289 4.639 4.350 -0.001 0.000 0.256 477 T C 0.923 175.718 174.700 0.158 0.000 1.131 477 T CA 0.040 62.224 62.100 0.141 0.000 1.074 477 T CB -0.326 68.605 68.868 0.104 0.000 0.944 477 T HN 0.190 nan 8.240 nan 0.000 0.516 478 A N 1.487 124.446 122.820 0.232 0.000 2.498 478 A HA 0.509 4.829 4.320 -0.001 0.000 0.239 478 A C 0.265 178.013 177.584 0.272 0.000 1.068 478 A CA -0.266 51.888 52.037 0.194 0.000 0.766 478 A CB 0.157 19.263 19.000 0.176 0.000 1.003 478 A HN 0.447 nan 8.150 nan 0.000 0.497 479 K N 0.133 120.608 120.400 0.125 0.000 2.267 479 K HA 0.327 4.646 4.320 -0.001 0.000 0.236 479 K C 1.229 177.855 176.600 0.044 0.000 1.030 479 K CA -0.140 56.226 56.287 0.131 0.000 0.930 479 K CB 0.564 33.105 32.500 0.067 0.000 1.182 479 K HN 0.789 nan 8.250 nan 0.000 0.474 480 E N 0.921 121.158 120.200 0.061 0.000 2.130 480 E HA -0.274 4.076 4.350 -0.001 0.000 0.196 480 E C 0.674 177.243 176.600 -0.051 0.000 0.998 480 E CA 2.019 58.419 56.400 -0.001 0.000 0.806 480 E CB 0.035 29.750 29.700 0.026 0.000 0.738 480 E HN 0.645 nan 8.360 nan 0.000 0.459 481 D N -0.165 120.210 120.400 -0.041 0.000 2.363 481 D HA -0.140 4.500 4.640 -0.001 0.000 0.226 481 D C 0.717 176.955 176.300 -0.103 0.000 1.020 481 D CA 0.568 54.532 54.000 -0.061 0.000 0.892 481 D CB -0.106 40.667 40.800 -0.044 0.000 0.900 481 D HN 0.205 nan 8.370 nan 0.000 0.531 482 D N 0.015 120.337 120.400 -0.129 0.000 2.367 482 D HA 0.085 4.725 4.640 -0.001 0.000 0.207 482 D C 2.176 178.300 176.300 -0.294 0.000 1.034 482 D CA -0.054 53.814 54.000 -0.219 0.000 0.861 482 D CB 0.423 41.105 40.800 -0.196 0.000 0.943 482 D HN 0.276 nan 8.370 nan 0.000 0.515 483 L N 0.829 121.942 121.223 -0.183 0.000 2.131 483 L HA -0.162 4.177 4.340 -0.001 0.000 0.210 483 L C 2.168 178.987 176.870 -0.085 0.000 1.092 483 L CA 0.821 55.598 54.840 -0.104 0.000 0.759 483 L CB -0.397 41.588 42.059 -0.123 0.000 0.903 483 L HN -0.006 nan 8.230 nan 0.000 0.435 484 N N 0.015 118.639 118.700 -0.127 0.000 2.205 484 N HA -0.209 4.531 4.740 -0.001 0.000 0.186 484 N C 1.943 177.353 175.510 -0.166 0.000 1.015 484 N CA 1.442 54.425 53.050 -0.113 0.000 0.862 484 N CB 0.038 38.464 38.487 -0.102 0.000 0.986 484 N HN 0.335 nan 8.380 nan 0.000 0.429 485 S N -1.327 114.187 115.700 -0.311 0.000 2.481 485 S HA 0.010 4.479 4.470 -0.001 0.000 0.231 485 S C 0.400 174.753 174.600 -0.411 0.000 0.996 485 S CA -0.039 57.933 58.200 -0.381 0.000 0.942 485 S CB -0.565 62.339 63.200 -0.494 0.000 0.768 485 S HN 0.142 nan 8.310 nan 0.000 0.520 486 F N 3.058 122.865 119.950 -0.239 0.000 2.471 486 F HA 0.514 5.041 4.527 -0.001 0.000 0.353 486 F C 0.918 176.670 175.800 -0.080 0.000 1.113 486 F CA -0.504 57.381 58.000 -0.192 0.000 1.262 486 F CB 0.353 39.136 39.000 -0.361 0.000 1.146 486 F HN 0.225 nan 8.300 nan 0.000 0.578 487 N N 0.607 119.442 118.700 0.226 0.000 2.591 487 N HA 0.327 5.067 4.740 -0.001 0.000 0.263 487 N C 0.205 175.876 175.510 0.270 0.000 1.308 487 N CA -0.059 53.084 53.050 0.154 0.000 0.837 487 N CB 1.949 40.477 38.487 0.069 0.000 1.548 487 N HN 0.559 nan 8.380 nan 0.000 0.493 488 A N 0.821 123.751 122.820 0.183 0.000 2.032 488 A HA -0.173 4.147 4.320 -0.001 0.000 0.221 488 A C 1.852 179.487 177.584 0.085 0.000 1.165 488 A CA 2.674 54.810 52.037 0.166 0.000 0.645 488 A CB -1.146 17.895 19.000 0.068 0.000 0.807 488 A HN 0.852 nan 8.150 nan 0.000 0.453 489 T N -2.441 112.157 114.554 0.074 0.000 3.007 489 T HA -0.133 4.217 4.350 -0.001 0.000 0.270 489 T C 1.157 175.873 174.700 0.027 0.000 1.107 489 T CA 1.304 63.423 62.100 0.032 0.000 1.118 489 T CB -0.487 68.394 68.868 0.022 0.000 0.889 489 T HN 0.413 nan 8.240 nan 0.000 0.506 490 D N 1.899 122.350 120.400 0.085 0.000 2.158 490 D HA -0.063 4.576 4.640 -0.001 0.000 0.197 490 D C 1.795 178.035 176.300 -0.100 0.000 0.995 490 D CA 1.002 55.038 54.000 0.058 0.000 0.846 490 D CB -0.254 40.700 40.800 0.257 0.000 0.941 490 D HN 0.458 nan 8.370 nan 0.000 0.456 491 L N -0.091 121.023 121.223 -0.183 0.000 2.567 491 L HA 0.106 4.446 4.340 -0.001 0.000 0.225 491 L C 2.158 178.954 176.870 -0.123 0.000 1.119 491 L CA -0.059 54.636 54.840 -0.241 0.000 0.871 491 L CB -0.123 41.736 42.059 -0.334 0.000 1.036 491 L HN -0.076 nan 8.230 nan 0.000 0.459 492 K N 1.053 121.407 120.400 -0.077 0.000 2.071 492 K HA -0.239 4.081 4.320 -0.001 0.000 0.217 492 K C 0.551 177.127 176.600 -0.041 0.000 1.054 492 K CA 2.119 58.379 56.287 -0.046 0.000 0.937 492 K CB 0.089 32.572 32.500 -0.028 0.000 0.719 492 K HN 0.279 nan 8.250 nan 0.000 0.454 493 D N 0.051 120.427 120.400 -0.040 0.000 2.525 493 D HA 0.130 4.769 4.640 -0.001 0.000 0.229 493 D C -0.618 175.660 176.300 -0.036 0.000 1.202 493 D CA 0.111 54.092 54.000 -0.032 0.000 0.828 493 D CB 0.289 41.077 40.800 -0.020 0.000 1.008 493 D HN 0.157 nan 8.370 nan 0.000 0.493 494 L N 1.355 122.550 121.223 -0.048 0.000 2.305 494 L HA 0.246 4.585 4.340 -0.001 0.000 0.284 494 L C 1.024 177.872 176.870 -0.036 0.000 1.013 494 L CA -0.652 54.163 54.840 -0.041 0.000 0.819 494 L CB 1.717 43.742 42.059 -0.058 0.000 1.227 494 L HN -0.078 nan 8.230 nan 0.000 0.417 495 S N 0.784 116.466 115.700 -0.030 0.000 2.606 495 S HA 0.053 4.522 4.470 -0.001 0.000 0.257 495 S C 1.352 175.948 174.600 -0.006 0.000 1.327 495 S CA -0.087 58.103 58.200 -0.017 0.000 0.984 495 S CB 1.202 64.402 63.200 0.001 0.000 0.941 495 S HN 0.742 nan 8.310 nan 0.000 0.576 496 S N 0.304 115.975 115.700 -0.048 0.000 2.383 496 S HA -0.240 4.229 4.470 -0.001 0.000 0.229 496 S C 1.530 176.085 174.600 -0.075 0.000 1.030 496 S CA 1.632 59.770 58.200 -0.103 0.000 1.002 496 S CB -1.335 61.748 63.200 -0.196 0.000 0.829 496 S HN 0.870 nan 8.310 nan 0.000 0.467 497 H N 1.592 120.695 119.070 0.056 0.000 2.352 497 H HA -0.001 4.554 4.556 -0.001 0.000 0.299 497 H C 2.528 178.016 175.328 0.267 0.000 1.097 497 H CA 1.990 58.144 56.048 0.176 0.000 1.311 497 H CB -0.251 29.620 29.762 0.182 0.000 1.377 497 H HN 0.524 nan 8.280 nan 0.000 0.504 498 Q N -0.097 119.843 119.800 0.232 0.000 2.187 498 Q HA -0.030 4.310 4.340 -0.001 0.000 0.199 498 Q C 2.185 178.323 176.000 0.230 0.000 0.957 498 Q CA 0.585 56.538 55.803 0.250 0.000 0.857 498 Q CB 0.170 28.961 28.738 0.088 0.000 0.929 498 Q HN 0.463 nan 8.270 nan 0.000 0.453 499 L N 0.601 121.904 121.223 0.133 0.000 2.017 499 L HA -0.216 4.124 4.340 -0.001 0.000 0.208 499 L C 2.221 179.159 176.870 0.113 0.000 1.073 499 L CA 1.152 56.059 54.840 0.112 0.000 0.745 499 L CB -0.494 41.577 42.059 0.019 0.000 0.894 499 L HN 0.304 nan 8.230 nan 0.000 0.432 500 N N 0.259 119.006 118.700 0.078 0.000 2.061 500 N HA -0.275 4.464 4.740 -0.001 0.000 0.193 500 N C 1.766 177.328 175.510 0.086 0.000 1.030 500 N CA 1.751 54.835 53.050 0.057 0.000 0.856 500 N CB -0.016 38.522 38.487 0.085 0.000 1.023 500 N HN 0.189 nan 8.380 nan 0.000 0.424 501 E N -0.490 119.823 120.200 0.190 0.000 2.106 501 E HA -0.137 4.213 4.350 -0.001 0.000 0.192 501 E C 1.789 178.468 176.600 0.132 0.000 0.984 501 E CA 0.858 57.343 56.400 0.142 0.000 0.806 501 E CB -0.686 29.146 29.700 0.220 0.000 0.750 501 E HN 0.478 nan 8.360 nan 0.000 0.458 502 F N 0.691 120.680 119.950 0.064 0.000 2.091 502 F HA -0.175 4.352 4.527 -0.001 0.000 0.299 502 F C 1.778 177.573 175.800 -0.009 0.000 1.103 502 F CA 1.611 59.638 58.000 0.044 0.000 1.228 502 F CB -0.441 38.587 39.000 0.048 0.000 0.984 502 F HN 0.072 nan 8.300 nan 0.000 0.477 503 L N 0.062 121.094 121.223 -0.319 0.000 2.083 503 L HA -0.179 4.161 4.340 -0.001 0.000 0.209 503 L C 2.841 179.526 176.870 -0.308 0.000 1.083 503 L CA 1.198 55.766 54.840 -0.454 0.000 0.752 503 L CB -1.112 40.768 42.059 -0.298 0.000 0.899 503 L HN 0.308 nan 8.230 nan 0.000 0.433 504 A N -0.962 121.755 122.820 -0.172 0.000 1.902 504 A HA -0.208 4.112 4.320 -0.001 0.000 0.217 504 A C 2.254 179.758 177.584 -0.134 0.000 1.181 504 A CA 1.201 53.163 52.037 -0.126 0.000 0.623 504 A CB -0.354 18.604 19.000 -0.071 0.000 0.818 504 A HN 0.374 nan 8.150 nan 0.000 0.443 505 Q N -0.423 119.302 119.800 -0.126 0.000 2.030 505 Q HA -0.144 4.195 4.340 -0.001 0.000 0.204 505 Q C 2.262 178.183 176.000 -0.132 0.000 0.986 505 Q CA 2.216 57.964 55.803 -0.091 0.000 0.843 505 Q CB -1.018 27.705 28.738 -0.026 0.000 0.904 505 Q HN 0.680 nan 8.270 nan 0.000 0.420 506 T N 2.025 116.428 114.554 -0.252 0.000 2.746 506 T HA -0.130 4.220 4.350 -0.001 0.000 0.267 506 T C 1.889 176.472 174.700 -0.196 0.000 1.039 506 T CA 0.898 62.844 62.100 -0.256 0.000 1.142 506 T CB -0.346 68.232 68.868 -0.482 0.000 0.866 506 T HN 0.078 nan 8.240 nan 0.000 0.444 507 L N 1.425 122.518 121.223 -0.216 0.000 2.127 507 L HA -0.101 4.238 4.340 -0.001 0.000 0.211 507 L C 2.378 179.161 176.870 -0.145 0.000 1.089 507 L CA 1.687 56.415 54.840 -0.188 0.000 0.757 507 L CB -0.794 41.142 42.059 -0.205 0.000 0.899 507 L HN 0.282 nan 8.230 nan 0.000 0.434 508 Q N -1.021 118.707 119.800 -0.120 0.000 2.291 508 Q HA -0.177 4.162 4.340 -0.001 0.000 0.206 508 Q C 1.394 177.348 176.000 -0.076 0.000 0.976 508 Q CA 1.241 56.990 55.803 -0.090 0.000 0.875 508 Q CB 0.048 28.746 28.738 -0.066 0.000 0.927 508 Q HN 0.374 nan 8.270 nan 0.000 0.450 509 R N -0.499 119.955 120.500 -0.077 0.000 2.468 509 R HA 0.265 4.605 4.340 -0.001 0.000 0.280 509 R C -0.311 175.940 176.300 -0.082 0.000 0.963 509 R CA 0.001 56.063 56.100 -0.063 0.000 1.083 509 R CB 0.593 30.870 30.300 -0.037 0.000 1.200 509 R HN 0.051 nan 8.270 nan 0.000 0.541 510 A N 2.530 125.285 122.820 -0.108 0.000 2.498 510 A HA 0.295 4.615 4.320 -0.001 0.000 0.239 510 A C -1.813 175.702 177.584 -0.115 0.000 1.068 510 A CA -0.819 51.142 52.037 -0.126 0.000 0.766 510 A CB -0.280 18.626 19.000 -0.158 0.000 1.003 510 A HN 0.052 nan 8.150 nan 0.000 0.497 511 P HA 0.482 nan 4.420 nan 0.000 0.281 511 P C -0.903 176.318 177.300 -0.131 0.000 1.249 511 P CA -0.414 62.602 63.100 -0.140 0.000 0.810 511 P CB 0.779 32.392 31.700 -0.145 0.000 1.008 512 L N 3.319 124.457 121.223 -0.142 0.000 2.400 512 L HA 0.503 4.843 4.340 -0.001 0.000 0.264 512 L C -2.063 174.693 176.870 -0.191 0.000 1.061 512 L CA -2.056 52.688 54.840 -0.160 0.000 0.799 512 L CB -0.196 41.798 42.059 -0.109 0.000 1.240 512 L HN 0.294 nan 8.230 nan 0.000 0.461 513 P HA 0.008 nan 4.420 nan 0.000 0.268 513 P C 0.509 177.743 177.300 -0.110 0.000 1.205 513 P CA -0.301 62.678 63.100 -0.201 0.000 0.771 513 P CB 0.503 32.042 31.700 -0.268 0.000 0.858 514 L N 4.111 125.266 121.223 -0.113 0.000 2.042 514 L HA -0.103 4.237 4.340 -0.001 0.000 0.210 514 L C 2.228 178.980 176.870 -0.197 0.000 1.076 514 L CA 2.588 57.317 54.840 -0.185 0.000 0.749 514 L CB -1.647 40.317 42.059 -0.158 0.000 0.893 514 L HN 0.545 nan 8.230 nan 0.000 0.432 515 G N -2.068 106.697 108.800 -0.059 0.000 2.442 515 G HA2 -0.331 3.629 3.960 -0.001 0.000 0.219 515 G HA3 -0.331 3.629 3.960 -0.001 0.000 0.219 515 G C 1.315 176.260 174.900 0.075 0.000 1.141 515 G CA 1.156 46.252 45.100 -0.008 0.000 0.763 515 G HN 0.552 nan 8.290 nan 0.000 0.554 516 H N 0.280 119.344 119.070 -0.009 0.000 2.357 516 H HA 0.027 4.582 4.556 -0.001 0.000 0.301 516 H C 2.651 177.987 175.328 0.012 0.000 1.082 516 H CA 0.860 56.992 56.048 0.141 0.000 1.342 516 H CB -0.145 29.744 29.762 0.212 0.000 1.389 516 H HN 0.214 nan 8.280 nan 0.000 0.511 517 I N 0.983 121.550 120.570 -0.005 0.000 2.226 517 I HA -0.215 3.955 4.170 -0.001 0.000 0.245 517 I C 1.971 177.937 176.117 -0.251 0.000 1.100 517 I CA 1.283 62.510 61.300 -0.122 0.000 1.374 517 I CB -0.867 37.004 38.000 -0.215 0.000 1.057 517 I HN 0.233 nan 8.210 nan 0.000 0.413 518 K N 0.257 120.330 120.400 -0.545 0.000 2.057 518 K HA -0.214 4.105 4.320 -0.001 0.000 0.207 518 K C 2.241 178.737 176.600 -0.173 0.000 1.049 518 K CA 1.300 57.223 56.287 -0.607 0.000 0.931 518 K CB -0.177 31.991 32.500 -0.553 0.000 0.714 518 K HN 0.028 nan 8.250 nan 0.000 0.440 519 R N 1.330 121.781 120.500 -0.081 0.000 2.081 519 R HA -0.053 4.287 4.340 -0.001 0.000 0.235 519 R C 2.100 178.372 176.300 -0.046 0.000 1.131 519 R CA 1.502 57.609 56.100 0.012 0.000 0.960 519 R CB -0.375 29.998 30.300 0.121 0.000 0.856 519 R HN 0.169 nan 8.270 nan 0.000 0.436 520 M N -0.101 119.393 119.600 -0.177 0.000 2.108 520 M HA -0.247 4.233 4.480 -0.001 0.000 0.261 520 M C 2.101 178.150 176.300 -0.419 0.000 1.066 520 M CA 2.170 57.146 55.300 -0.539 0.000 1.107 520 M CB -0.149 32.128 32.600 -0.537 0.000 1.356 520 M HN 0.213 nan 8.290 nan 0.000 0.406 521 Q N 0.644 120.400 119.800 -0.073 0.000 2.084 521 Q HA -0.237 4.103 4.340 -0.001 0.000 0.202 521 Q C 1.660 177.631 176.000 -0.048 0.000 0.978 521 Q CA 2.338 58.151 55.803 0.017 0.000 0.844 521 Q CB -0.377 28.681 28.738 0.534 0.000 0.898 521 Q HN 0.660 nan 8.270 nan 0.000 0.426 522 E N -0.888 119.297 120.200 -0.026 0.000 2.058 522 E HA -0.175 4.174 4.350 -0.001 0.000 0.194 522 E C 1.681 178.232 176.600 -0.081 0.000 0.997 522 E CA 2.080 58.466 56.400 -0.023 0.000 0.801 522 E CB 0.026 29.722 29.700 -0.007 0.000 0.746 522 E HN 0.384 nan 8.360 nan 0.000 0.450 523 V N -2.097 117.710 119.914 -0.177 0.000 3.125 523 V HA 0.026 4.146 4.120 -0.001 0.000 0.249 523 V C 1.492 177.527 176.094 -0.099 0.000 1.113 523 V CA 0.559 62.762 62.300 -0.162 0.000 1.106 523 V CB -0.433 31.277 31.823 -0.187 0.000 0.768 523 V HN 0.192 nan 8.190 nan 0.000 0.468 524 Y N 0.600 120.671 120.300 -0.382 0.000 2.462 524 Y HA 0.384 4.933 4.550 -0.001 0.000 0.253 524 Y C 1.364 176.857 175.900 -0.678 0.000 1.095 524 Y CA -0.696 56.994 58.100 -0.683 0.000 1.283 524 Y CB -0.994 36.644 38.460 -1.370 0.000 1.138 524 Y HN 0.494 nan 8.280 nan 0.000 0.522 525 N N 0.360 118.845 118.700 -0.359 0.000 2.714 525 N HA -0.247 4.492 4.740 -0.001 0.000 0.253 525 N C -0.101 175.263 175.510 -0.242 0.000 1.024 525 N CA -0.123 52.800 53.050 -0.212 0.000 0.726 525 N CB -0.959 37.471 38.487 -0.096 0.000 0.908 525 N HN 0.075 nan 8.380 nan 0.000 0.542 526 F N 0.559 120.228 119.950 -0.470 0.000 2.365 526 F HA -0.038 4.488 4.527 -0.001 0.000 0.300 526 F C 2.236 177.781 175.800 -0.425 0.000 1.090 526 F CA 0.626 58.181 58.000 -0.740 0.000 1.408 526 F CB -0.383 37.562 39.000 -1.758 0.000 1.060 526 F HN 0.299 nan 8.300 nan 0.000 0.534 527 N N 0.301 119.034 118.700 0.054 0.000 2.272 527 N HA -0.132 4.608 4.740 -0.001 0.000 0.185 527 N C 1.937 177.519 175.510 0.119 0.000 1.014 527 N CA 1.183 54.382 53.050 0.248 0.000 0.870 527 N CB -0.437 38.195 38.487 0.242 0.000 0.975 527 N HN 0.253 nan 8.380 nan 0.000 0.433 528 A N 0.120 122.974 122.820 0.056 0.000 2.169 528 A HA 0.143 4.463 4.320 -0.001 0.000 0.212 528 A C 0.942 178.545 177.584 0.031 0.000 1.153 528 A CA -0.042 52.016 52.037 0.034 0.000 0.756 528 A CB -0.086 18.921 19.000 0.012 0.000 0.813 528 A HN 0.142 nan 8.150 nan 0.000 0.471 529 I N 1.103 121.697 120.570 0.040 0.000 2.371 529 I HA 0.088 4.258 4.170 -0.001 0.000 0.290 529 I C 0.202 176.332 176.117 0.021 0.000 1.028 529 I CA -0.392 60.924 61.300 0.027 0.000 1.345 529 I CB 0.938 38.955 38.000 0.028 0.000 1.407 529 I HN 0.168 nan 8.210 nan 0.000 0.501 530 N N 3.973 122.677 118.700 0.007 0.000 2.236 530 N HA -0.012 4.728 4.740 -0.001 0.000 0.196 530 N C 0.381 175.886 175.510 -0.009 0.000 1.114 530 N CA 0.061 53.113 53.050 0.003 0.000 0.859 530 N CB 0.047 38.536 38.487 0.005 0.000 0.982 530 N HN 0.551 nan 8.380 nan 0.000 0.493 531 N N 1.871 120.561 118.700 -0.016 0.000 2.411 531 N HA -0.068 4.671 4.740 -0.001 0.000 0.265 531 N C 1.224 176.702 175.510 -0.054 0.000 1.266 531 N CA 0.269 53.305 53.050 -0.023 0.000 0.889 531 N CB 0.853 39.319 38.487 -0.035 0.000 1.069 531 N HN 0.135 nan 8.380 nan 0.000 0.476 532 S N 3.562 119.225 115.700 -0.062 0.000 2.383 532 S HA -0.094 4.376 4.470 -0.001 0.000 0.227 532 S C 1.260 175.613 174.600 -0.412 0.000 1.026 532 S CA 0.614 58.680 58.200 -0.223 0.000 0.981 532 S CB -0.042 63.103 63.200 -0.091 0.000 0.818 532 S HN 0.612 nan 8.310 nan 0.000 0.472 533 E N 1.508 121.627 120.200 -0.135 0.000 2.051 533 E HA -0.008 4.342 4.350 -0.001 0.000 0.192 533 E C 2.161 178.763 176.600 0.004 0.000 0.991 533 E CA 1.151 57.544 56.400 -0.011 0.000 0.799 533 E CB -0.423 29.346 29.700 0.114 0.000 0.748 533 E HN 0.609 nan 8.360 nan 0.000 0.449 534 I N 0.619 121.165 120.570 -0.041 0.000 2.202 534 I HA -0.249 3.921 4.170 -0.001 0.000 0.242 534 I C 2.852 178.939 176.117 -0.050 0.000 1.091 534 I CA 1.033 62.288 61.300 -0.074 0.000 1.368 534 I CB -0.236 37.697 38.000 -0.111 0.000 1.058 534 I HN 0.007 nan 8.210 nan 0.000 0.410 535 R N 0.644 121.121 120.500 -0.038 0.000 2.081 535 R HA -0.228 4.112 4.340 -0.001 0.000 0.235 535 R C 2.453 178.755 176.300 0.004 0.000 1.131 535 R CA 1.645 57.767 56.100 0.037 0.000 0.960 535 R CB -0.439 29.863 30.300 0.004 0.000 0.856 535 R HN 0.222 nan 8.270 nan 0.000 0.436 536 F N 1.575 121.343 119.950 -0.305 0.000 2.043 536 F HA -0.280 4.247 4.527 -0.001 0.000 0.297 536 F C 2.116 177.814 175.800 -0.170 0.000 1.118 536 F CA 2.011 59.814 58.000 -0.328 0.000 1.202 536 F CB -0.257 38.373 39.000 -0.617 0.000 0.965 536 F HN -0.053 nan 8.300 nan 0.000 0.482 537 R N -0.423 119.908 120.500 -0.282 0.000 2.092 537 R HA -0.212 4.128 4.340 -0.001 0.000 0.231 537 R C 2.401 178.547 176.300 -0.257 0.000 1.119 537 R CA 1.532 57.397 56.100 -0.390 0.000 0.970 537 R CB -1.181 29.010 30.300 -0.183 0.000 0.864 537 R HN 0.672 nan 8.270 nan 0.000 0.440 538 W N 1.856 122.965 121.300 -0.319 0.000 2.355 538 W HA -0.193 4.466 4.660 -0.001 0.000 0.309 538 W C 1.310 177.722 176.519 -0.178 0.000 1.206 538 W CA 1.232 58.426 57.345 -0.251 0.000 1.284 538 W CB -0.191 29.133 29.460 -0.227 0.000 1.145 538 W HN 0.065 nan 8.180 nan 0.000 0.502 539 L N 0.676 121.649 121.223 -0.417 0.000 2.093 539 L HA -0.185 4.155 4.340 -0.001 0.000 0.208 539 L C 2.906 179.508 176.870 -0.446 0.000 1.085 539 L CA 1.189 55.726 54.840 -0.505 0.000 0.755 539 L CB -0.867 41.015 42.059 -0.296 0.000 0.904 539 L HN -0.074 nan 8.230 nan 0.000 0.435 540 R N -0.120 120.110 120.500 -0.449 0.000 2.083 540 R HA -0.202 4.138 4.340 -0.001 0.000 0.237 540 R C 2.251 178.333 176.300 -0.365 0.000 1.137 540 R CA 1.467 57.315 56.100 -0.420 0.000 0.951 540 R CB -0.631 29.340 30.300 -0.549 0.000 0.851 540 R HN 0.197 nan 8.270 nan 0.000 0.434 541 L N 0.691 121.693 121.223 -0.369 0.000 2.083 541 L HA -0.174 4.166 4.340 -0.001 0.000 0.209 541 L C 2.127 178.785 176.870 -0.354 0.000 1.083 541 L CA 1.628 56.279 54.840 -0.313 0.000 0.752 541 L CB -0.459 41.459 42.059 -0.235 0.000 0.899 541 L HN 0.184 nan 8.230 nan 0.000 0.433 542 C N -0.587 118.416 119.300 -0.495 0.000 2.446 542 C HA -0.090 4.370 4.460 -0.001 0.000 0.277 542 C C 2.671 177.499 174.990 -0.270 0.000 1.275 542 C CA 0.393 59.175 59.018 -0.393 0.000 1.727 542 C CB -0.842 26.575 27.740 -0.538 0.000 2.010 542 C HN 0.545 nan 8.230 nan 0.000 0.486 543 I N 0.751 121.138 120.570 -0.304 0.000 2.286 543 I HA -0.133 4.036 4.170 -0.001 0.000 0.245 543 I C 2.518 178.369 176.117 -0.443 0.000 1.104 543 I CA 1.523 62.642 61.300 -0.301 0.000 1.397 543 I CB -1.522 36.379 38.000 -0.164 0.000 1.072 543 I HN 0.500 nan 8.210 nan 0.000 0.417 544 Q N 0.125 119.727 119.800 -0.331 0.000 2.224 544 Q HA -0.076 4.264 4.340 -0.001 0.000 0.203 544 Q C 1.828 177.637 176.000 -0.319 0.000 0.970 544 Q CA 1.279 56.902 55.803 -0.300 0.000 0.865 544 Q CB -0.030 28.572 28.738 -0.226 0.000 0.922 544 Q HN 0.352 nan 8.270 nan 0.000 0.445 545 S N 0.416 115.932 115.700 -0.307 0.000 2.671 545 S HA 0.053 4.522 4.470 -0.001 0.000 0.220 545 S C -0.194 174.231 174.600 -0.292 0.000 0.951 545 S CA -0.025 58.019 58.200 -0.260 0.000 0.932 545 S CB 0.323 63.398 63.200 -0.209 0.000 0.777 545 S HN 0.204 nan 8.310 nan 0.000 0.508 546 K N -0.128 119.959 120.400 -0.522 0.000 3.218 546 K HA -0.143 4.177 4.320 -0.001 0.000 0.276 546 K C -0.963 175.564 176.600 -0.123 0.000 1.173 546 K CA 0.460 56.303 56.287 -0.738 0.000 0.812 546 K CB -2.012 30.280 32.500 -0.346 0.000 1.275 546 K HN 0.542 nan 8.250 nan 0.000 0.504 547 W N 2.941 124.087 121.300 -0.256 0.000 2.357 547 W HA 0.225 4.885 4.660 -0.000 0.000 0.317 547 W C 1.125 177.701 176.519 0.094 0.000 1.101 547 W CA -0.999 56.311 57.345 -0.059 0.000 1.380 547 W CB 0.039 29.423 29.460 -0.126 0.000 1.266 547 W HN 0.167 nan 8.180 nan 0.000 0.419 548 E N 1.906 122.343 120.200 0.395 0.000 2.160 548 E HA -0.242 4.107 4.350 -0.001 0.000 0.195 548 E C 1.082 177.618 176.600 -0.106 0.000 0.991 548 E CA 1.547 58.060 56.400 0.189 0.000 0.810 548 E CB 0.285 30.072 29.700 0.145 0.000 0.742 548 E HN 0.390 nan 8.360 nan 0.000 0.466 549 D N 0.605 120.752 120.400 -0.421 0.000 2.218 549 D HA -0.119 4.520 4.640 -0.001 0.000 0.204 549 D C 1.681 177.641 176.300 -0.567 0.000 0.976 549 D CA 1.092 54.738 54.000 -0.590 0.000 0.853 549 D CB -0.160 40.073 40.800 -0.946 0.000 0.939 549 D HN 0.187 nan 8.370 nan 0.000 0.481 550 A N 0.152 122.619 122.820 -0.588 0.000 2.167 550 A HA 0.007 4.326 4.320 -0.001 0.000 0.214 550 A C 2.176 179.635 177.584 -0.208 0.000 1.151 550 A CA 0.110 51.913 52.037 -0.390 0.000 0.735 550 A CB -0.475 18.308 19.000 -0.361 0.000 0.802 550 A HN 0.159 nan 8.150 nan 0.000 0.467 551 I N 0.849 121.342 120.570 -0.128 0.000 2.091 551 I HA -0.203 3.966 4.170 -0.001 0.000 0.239 551 I C -0.293 175.760 176.117 -0.108 0.000 1.061 551 I CA 1.807 63.064 61.300 -0.072 0.000 1.317 551 I CB -1.183 36.784 38.000 -0.055 0.000 1.031 551 I HN 0.240 nan 8.210 nan 0.000 0.401 552 P HA -0.144 nan 4.420 nan 0.000 0.218 552 P C 1.952 179.188 177.300 -0.106 0.000 1.149 552 P CA 1.564 64.604 63.100 -0.099 0.000 0.817 552 P CB -0.081 31.566 31.700 -0.089 0.000 0.785 553 L N -0.548 120.600 121.223 -0.126 0.000 2.056 553 L HA -0.115 4.224 4.340 -0.001 0.000 0.207 553 L C 2.761 179.558 176.870 -0.121 0.000 1.078 553 L CA 1.692 56.465 54.840 -0.111 0.000 0.749 553 L CB -1.322 40.668 42.059 -0.115 0.000 0.901 553 L HN -0.050 nan 8.230 nan 0.000 0.433 554 A N 0.185 122.916 122.820 -0.148 0.000 1.898 554 A HA -0.119 4.201 4.320 -0.001 0.000 0.216 554 A C 2.265 179.724 177.584 -0.208 0.000 1.181 554 A CA 1.191 53.129 52.037 -0.166 0.000 0.620 554 A CB -0.620 18.281 19.000 -0.164 0.000 0.819 554 A HN 0.327 nan 8.150 nan 0.000 0.442 555 L N -0.589 120.514 121.223 -0.200 0.000 2.046 555 L HA -0.203 4.136 4.340 -0.001 0.000 0.208 555 L C 2.633 179.374 176.870 -0.214 0.000 1.077 555 L CA 1.973 56.665 54.840 -0.246 0.000 0.747 555 L CB -0.359 41.607 42.059 -0.155 0.000 0.896 555 L HN 0.464 nan 8.230 nan 0.000 0.432 556 K N 0.242 120.560 120.400 -0.137 0.000 2.025 556 K HA -0.219 4.101 4.320 -0.001 0.000 0.207 556 K C 2.264 178.812 176.600 -0.087 0.000 1.049 556 K CA 1.524 57.757 56.287 -0.090 0.000 0.933 556 K CB -0.099 32.366 32.500 -0.059 0.000 0.714 556 K HN 0.121 nan 8.250 nan 0.000 0.438 557 M N 0.330 119.875 119.600 -0.090 0.000 2.159 557 M HA -0.146 4.334 4.480 -0.001 0.000 0.263 557 M C 1.939 178.199 176.300 -0.066 0.000 1.063 557 M CA 1.787 57.050 55.300 -0.061 0.000 1.110 557 M CB -0.088 32.479 32.600 -0.055 0.000 1.374 557 M HN 0.283 nan 8.290 nan 0.000 0.411 558 A N -0.521 122.197 122.820 -0.171 0.000 2.019 558 A HA -0.149 4.171 4.320 -0.001 0.000 0.219 558 A C 2.055 179.574 177.584 -0.108 0.000 1.164 558 A CA 2.116 54.008 52.037 -0.242 0.000 0.644 558 A CB -0.938 17.607 19.000 -0.759 0.000 0.805 558 A HN 0.702 nan 8.150 nan 0.000 0.449 559 T N -4.009 110.467 114.554 -0.131 0.000 3.018 559 T HA 0.158 4.508 4.350 -0.001 0.000 0.246 559 T C 1.461 176.164 174.700 0.006 0.000 1.026 559 T CA 0.701 62.742 62.100 -0.098 0.000 1.081 559 T CB -0.093 68.566 68.868 -0.350 0.000 0.970 559 T HN 0.462 nan 8.240 nan 0.000 0.475 560 E N 1.269 121.474 120.200 0.008 0.000 2.347 560 E HA 0.027 4.376 4.350 -0.001 0.000 0.196 560 E C 0.565 177.200 176.600 0.060 0.000 1.008 560 E CA 0.521 56.948 56.400 0.044 0.000 0.852 560 E CB 0.119 29.836 29.700 0.028 0.000 0.783 560 E HN 0.728 nan 8.360 nan 0.000 0.505 561 Q N -2.012 117.827 119.800 0.065 0.000 2.528 561 Q HA 0.544 4.884 4.340 -0.001 0.000 0.289 561 Q C 0.184 176.238 176.000 0.089 0.000 1.091 561 Q CA -0.819 55.035 55.803 0.086 0.000 0.797 561 Q CB 1.262 30.064 28.738 0.107 0.000 1.466 561 Q HN -0.062 nan 8.270 nan 0.000 0.436 562 G N -0.173 108.670 108.800 0.072 0.000 3.979 562 G HA2 0.108 4.068 3.960 -0.001 0.000 0.287 562 G HA3 0.108 4.068 3.960 -0.001 0.000 0.287 562 G C -0.550 174.301 174.900 -0.082 0.000 1.011 562 G CA -0.560 44.563 45.100 0.039 0.000 0.818 562 G HN 0.459 nan 8.290 nan 0.000 0.470 563 R N 1.031 121.469 120.500 -0.105 0.000 2.404 563 R HA 0.218 4.557 4.340 -0.001 0.000 0.315 563 R C 1.549 177.644 176.300 -0.341 0.000 1.032 563 R CA -0.266 55.656 56.100 -0.296 0.000 0.992 563 R CB 0.198 30.285 30.300 -0.355 0.000 0.959 563 R HN 0.173 nan 8.270 nan 0.000 0.428 564 M N 3.604 122.957 119.600 -0.412 0.000 2.149 564 M HA -0.268 4.212 4.480 -0.001 0.000 0.261 564 M C 2.063 178.203 176.300 -0.267 0.000 1.064 564 M CA 1.917 57.037 55.300 -0.299 0.000 1.102 564 M CB -0.309 32.079 32.600 -0.353 0.000 1.369 564 M HN 0.641 nan 8.290 nan 0.000 0.408 565 K N 0.334 120.477 120.400 -0.428 0.000 2.144 565 K HA -0.220 4.099 4.320 -0.001 0.000 0.209 565 K C 1.364 177.626 176.600 -0.564 0.000 1.047 565 K CA 1.891 57.857 56.287 -0.536 0.000 0.927 565 K CB -0.008 31.977 32.500 -0.859 0.000 0.716 565 K HN 0.191 nan 8.250 nan 0.000 0.454 566 F N -0.484 119.179 119.950 -0.478 0.000 2.343 566 F HA 0.111 4.638 4.527 -0.001 0.000 0.286 566 F C 2.502 178.286 175.800 -0.027 0.000 1.057 566 F CA 0.574 58.275 58.000 -0.498 0.000 1.365 566 F CB -0.992 37.769 39.000 -0.398 0.000 1.114 566 F HN -0.097 nan 8.300 nan 0.000 0.545 567 T N 0.670 115.310 114.554 0.143 0.000 2.788 567 T HA -0.131 4.219 4.350 -0.001 0.000 0.268 567 T C 2.150 177.004 174.700 0.256 0.000 1.044 567 T CA 1.367 63.575 62.100 0.180 0.000 1.139 567 T CB -0.151 68.818 68.868 0.167 0.000 0.867 567 T HN 0.123 nan 8.240 nan 0.000 0.454 568 R N 0.602 121.193 120.500 0.152 0.000 2.066 568 R HA -0.030 4.309 4.340 -0.001 0.000 0.232 568 R C -0.521 175.872 176.300 0.155 0.000 1.131 568 R CA 1.348 57.528 56.100 0.133 0.000 0.955 568 R CB -1.201 29.118 30.300 0.033 0.000 0.851 568 R HN 0.345 nan 8.270 nan 0.000 0.432 569 P HA -0.077 nan 4.420 nan 0.000 0.219 569 P C 1.116 178.495 177.300 0.131 0.000 1.150 569 P CA 1.014 64.214 63.100 0.167 0.000 0.814 569 P CB 0.051 31.917 31.700 0.277 0.000 0.787 570 L N -2.335 118.991 121.223 0.172 0.000 2.017 570 L HA -0.171 4.168 4.340 -0.001 0.000 0.208 570 L C 2.314 179.168 176.870 -0.026 0.000 1.073 570 L CA 1.526 56.378 54.840 0.020 0.000 0.745 570 L CB -0.938 41.107 42.059 -0.023 0.000 0.894 570 L HN -0.089 nan 8.230 nan 0.000 0.432 571 F N 0.403 120.361 119.950 0.013 0.000 2.126 571 F HA -0.252 4.274 4.527 -0.001 0.000 0.299 571 F C 2.645 178.426 175.800 -0.031 0.000 1.096 571 F CA 1.565 59.551 58.000 -0.022 0.000 1.255 571 F CB -0.378 38.593 39.000 -0.048 0.000 0.997 571 F HN -0.061 nan 8.300 nan 0.000 0.479 572 K N 0.020 120.518 120.400 0.164 0.000 2.026 572 K HA -0.184 4.136 4.320 -0.001 0.000 0.208 572 K C 1.747 178.385 176.600 0.063 0.000 1.048 572 K CA 1.768 58.103 56.287 0.079 0.000 0.929 572 K CB -0.203 32.320 32.500 0.038 0.000 0.713 572 K HN 0.105 nan 8.250 nan 0.000 0.439 573 D N 0.737 121.159 120.400 0.036 0.000 2.097 573 D HA -0.150 4.489 4.640 -0.001 0.000 0.195 573 D C 1.895 178.237 176.300 0.071 0.000 0.989 573 D CA 0.978 54.983 54.000 0.009 0.000 0.827 573 D CB -0.190 40.573 40.800 -0.061 0.000 0.966 573 D HN 0.125 nan 8.370 nan 0.000 0.456 574 L N 0.514 121.778 121.223 0.067 0.000 2.079 574 L HA -0.179 4.161 4.340 -0.001 0.000 0.210 574 L C 2.433 179.381 176.870 0.131 0.000 1.081 574 L CA 1.246 56.145 54.840 0.100 0.000 0.752 574 L CB -0.394 41.670 42.059 0.009 0.000 0.896 574 L HN -0.005 nan 8.230 nan 0.000 0.433 575 A N -0.235 122.657 122.820 0.120 0.000 1.930 575 A HA -0.100 4.219 4.320 -0.001 0.000 0.217 575 A C 2.443 180.188 177.584 0.268 0.000 1.175 575 A CA 1.546 53.672 52.037 0.149 0.000 0.627 575 A CB -0.595 18.461 19.000 0.095 0.000 0.815 575 A HN 0.395 nan 8.150 nan 0.000 0.443 576 A N -1.721 121.207 122.820 0.181 0.000 2.119 576 A HA 0.243 4.562 4.320 -0.001 0.000 0.216 576 A C 0.664 178.374 177.584 0.210 0.000 1.152 576 A CA 0.276 52.403 52.037 0.150 0.000 0.708 576 A CB -0.300 18.744 19.000 0.073 0.000 0.805 576 A HN 0.464 nan 8.150 nan 0.000 0.460 577 F N 2.171 122.147 119.950 0.042 0.000 2.391 577 F HA 0.342 4.869 4.527 -0.001 0.000 0.359 577 F C 0.844 176.678 175.800 0.057 0.000 1.122 577 F CA -2.018 55.998 58.000 0.025 0.000 1.120 577 F CB 0.791 39.791 39.000 0.001 0.000 1.142 577 F HN 0.304 nan 8.300 nan 0.000 0.483 578 D N 3.939 124.432 120.400 0.155 0.000 2.149 578 D HA -0.217 4.423 4.640 -0.001 0.000 0.198 578 D C 1.315 177.490 176.300 -0.208 0.000 0.990 578 D CA 1.378 55.365 54.000 -0.023 0.000 0.839 578 D CB -0.172 40.630 40.800 0.002 0.000 0.948 578 D HN 0.400 nan 8.370 nan 0.000 0.460 579 K N 0.136 120.184 120.400 -0.587 0.000 2.209 579 K HA -0.017 4.303 4.320 -0.001 0.000 0.204 579 K C 1.944 178.253 176.600 -0.485 0.000 1.048 579 K CA 1.340 57.253 56.287 -0.624 0.000 0.940 579 K CB -0.157 31.782 32.500 -0.936 0.000 0.729 579 K HN 0.454 nan 8.250 nan 0.000 0.451 580 S N -0.888 114.513 115.700 -0.499 0.000 2.559 580 S HA 0.019 4.489 4.470 -0.001 0.000 0.226 580 S C 1.626 176.193 174.600 -0.056 0.000 1.000 580 S CA -0.398 57.673 58.200 -0.216 0.000 0.948 580 S CB -0.193 62.922 63.200 -0.143 0.000 0.870 580 S HN 0.280 nan 8.310 nan 0.000 0.497 581 H N 2.707 121.722 119.070 -0.093 0.000 2.319 581 H HA -0.140 4.416 4.556 -0.001 0.000 0.297 581 H C 0.887 176.219 175.328 0.006 0.000 1.097 581 H CA 2.336 58.375 56.048 -0.014 0.000 1.285 581 H CB -0.310 29.446 29.762 -0.009 0.000 1.368 581 H HN 0.347 nan 8.280 nan 0.000 0.495 582 D N 0.442 120.879 120.400 0.063 0.000 2.144 582 D HA -0.120 4.519 4.640 -0.001 0.000 0.200 582 D C 2.434 178.720 176.300 -0.023 0.000 0.978 582 D CA 0.805 54.818 54.000 0.022 0.000 0.833 582 D CB -0.308 40.531 40.800 0.065 0.000 0.961 582 D HN 0.535 nan 8.370 nan 0.000 0.470 583 Q N 0.415 120.204 119.800 -0.019 0.000 2.119 583 Q HA -0.048 4.291 4.340 -0.001 0.000 0.201 583 Q C 2.216 178.239 176.000 0.038 0.000 0.972 583 Q CA 1.375 57.180 55.803 0.003 0.000 0.847 583 Q CB -0.090 28.638 28.738 -0.017 0.000 0.903 583 Q HN 0.223 nan 8.270 nan 0.000 0.433 584 A N 0.136 122.966 122.820 0.017 0.000 1.865 584 A HA -0.174 4.146 4.320 -0.001 0.000 0.217 584 A C 2.303 179.987 177.584 0.167 0.000 1.191 584 A CA 1.583 53.699 52.037 0.133 0.000 0.623 584 A CB -0.844 18.207 19.000 0.085 0.000 0.826 584 A HN 0.232 nan 8.150 nan 0.000 0.444 585 V N -0.107 119.795 119.914 -0.020 0.000 2.358 585 V HA -0.234 3.886 4.120 -0.001 0.000 0.246 585 V C 2.665 178.816 176.094 0.095 0.000 1.047 585 V CA 2.278 64.581 62.300 0.005 0.000 1.035 585 V CB -0.788 30.972 31.823 -0.105 0.000 0.658 585 V HN 0.674 nan 8.190 nan 0.000 0.452 586 R N -0.136 120.405 120.500 0.069 0.000 2.081 586 R HA -0.164 4.175 4.340 -0.001 0.000 0.235 586 R C 2.312 178.688 176.300 0.127 0.000 1.131 586 R CA 2.134 58.279 56.100 0.076 0.000 0.960 586 R CB -0.435 29.897 30.300 0.053 0.000 0.856 586 R HN 0.549 nan 8.270 nan 0.000 0.436 587 T N 0.047 114.715 114.554 0.191 0.000 2.777 587 T HA -0.188 4.161 4.350 -0.001 0.000 0.266 587 T C 1.351 176.256 174.700 0.342 0.000 1.040 587 T CA 1.464 63.735 62.100 0.286 0.000 1.141 587 T CB -0.507 68.520 68.868 0.265 0.000 0.868 587 T HN 0.390 nan 8.240 nan 0.000 0.444 588 Y N 2.067 122.452 120.300 0.141 0.000 2.145 588 Y HA -0.185 4.364 4.550 -0.001 0.000 0.286 588 Y C 2.494 178.394 175.900 -0.000 0.000 1.145 588 Y CA 1.404 59.444 58.100 -0.101 0.000 1.148 588 Y CB -0.568 37.644 38.460 -0.414 0.000 0.981 588 Y HN 0.208 nan 8.280 nan 0.000 0.507 589 Q N -0.040 119.672 119.800 -0.147 0.000 2.170 589 Q HA -0.201 4.139 4.340 -0.001 0.000 0.203 589 Q C 2.072 177.972 176.000 -0.168 0.000 0.976 589 Q CA 1.892 57.559 55.803 -0.227 0.000 0.858 589 Q CB -0.131 28.574 28.738 -0.055 0.000 0.907 589 Q HN 0.659 nan 8.270 nan 0.000 0.433 590 E N -0.648 119.528 120.200 -0.041 0.000 2.158 590 E HA -0.126 4.223 4.350 -0.001 0.000 0.191 590 E C 1.354 177.871 176.600 -0.138 0.000 0.982 590 E CA 0.733 57.100 56.400 -0.054 0.000 0.823 590 E CB 0.142 29.845 29.700 0.004 0.000 0.766 590 E HN 0.491 nan 8.360 nan 0.000 0.468 591 H N 0.193 119.211 119.070 -0.088 0.000 2.562 591 H HA 0.086 4.641 4.556 -0.001 0.000 0.267 591 H C 1.752 177.002 175.328 -0.131 0.000 0.959 591 H CA 0.587 56.602 56.048 -0.056 0.000 1.204 591 H CB 0.231 30.019 29.762 0.044 0.000 1.430 591 H HN -0.035 nan 8.280 nan 0.000 0.545 592 K N 1.173 121.446 120.400 -0.212 0.000 2.077 592 K HA -0.236 4.083 4.320 -0.001 0.000 0.213 592 K C 2.153 178.671 176.600 -0.137 0.000 1.051 592 K CA 1.613 57.698 56.287 -0.337 0.000 0.929 592 K CB -0.198 31.933 32.500 -0.616 0.000 0.715 592 K HN 0.289 nan 8.250 nan 0.000 0.451 593 A N 0.255 123.008 122.820 -0.111 0.000 2.015 593 A HA -0.082 4.238 4.320 -0.001 0.000 0.219 593 A C 1.794 179.364 177.584 -0.024 0.000 1.163 593 A CA 1.712 53.712 52.037 -0.063 0.000 0.646 593 A CB -0.283 18.679 19.000 -0.063 0.000 0.806 593 A HN 0.511 nan 8.150 nan 0.000 0.448 594 S N -1.533 114.163 115.700 -0.006 0.000 2.572 594 S HA 0.485 4.955 4.470 -0.001 0.000 0.228 594 S C 0.428 175.075 174.600 0.078 0.000 0.963 594 S CA -0.412 57.810 58.200 0.036 0.000 0.939 594 S CB -0.251 62.966 63.200 0.029 0.000 0.804 594 S HN 0.432 nan 8.310 nan 0.000 0.480 595 M N 1.993 121.635 119.600 0.070 0.000 2.368 595 M HA 0.296 4.776 4.480 -0.001 0.000 0.311 595 M C 0.575 176.932 176.300 0.095 0.000 1.168 595 M CA -0.627 54.740 55.300 0.112 0.000 1.044 595 M CB 0.546 33.214 32.600 0.112 0.000 1.506 595 M HN 0.270 nan 8.290 nan 0.000 0.475 596 H N 3.448 122.543 119.070 0.043 0.000 3.001 596 H HA 0.035 4.591 4.556 -0.001 0.000 0.334 596 H C -1.846 173.469 175.328 -0.023 0.000 1.034 596 H CA -0.618 55.429 56.048 -0.002 0.000 1.420 596 H CB 0.916 30.684 29.762 0.011 0.000 1.405 596 H HN 0.358 nan 8.280 nan 0.000 0.593 597 P HA -0.151 nan 4.420 nan 0.000 0.217 597 P C 1.616 178.936 177.300 0.033 0.000 1.150 597 P CA 0.754 63.786 63.100 -0.113 0.000 0.832 597 P CB 0.383 31.959 31.700 -0.205 0.000 0.787 598 V N 0.343 120.360 119.914 0.171 0.000 2.323 598 V HA -0.165 3.955 4.120 -0.001 0.000 0.244 598 V C 2.601 178.730 176.094 0.058 0.000 1.041 598 V CA 2.505 64.864 62.300 0.099 0.000 1.025 598 V CB -1.961 29.883 31.823 0.035 0.000 0.656 598 V HN 0.155 nan 8.190 nan 0.000 0.451 599 T N 0.819 115.419 114.554 0.077 0.000 2.720 599 T HA -0.213 4.137 4.350 -0.001 0.000 0.268 599 T C 2.076 176.813 174.700 0.061 0.000 1.037 599 T CA 1.695 63.799 62.100 0.007 0.000 1.144 599 T CB -0.492 68.375 68.868 -0.001 0.000 0.864 599 T HN 0.558 nan 8.240 nan 0.000 0.444 600 A N 2.021 124.911 122.820 0.117 0.000 1.877 600 A HA -0.073 4.247 4.320 -0.001 0.000 0.216 600 A C 2.319 179.999 177.584 0.160 0.000 1.186 600 A CA 1.723 53.873 52.037 0.187 0.000 0.620 600 A CB -0.718 18.347 19.000 0.108 0.000 0.822 600 A HN 0.392 nan 8.150 nan 0.000 0.443 601 M N -0.318 119.333 119.600 0.084 0.000 2.086 601 M HA -0.090 4.389 4.480 -0.001 0.000 0.261 601 M C 2.000 178.300 176.300 0.000 0.000 1.067 601 M CA 1.783 57.115 55.300 0.054 0.000 1.116 601 M CB -0.749 31.880 32.600 0.049 0.000 1.348 601 M HN 0.427 nan 8.290 nan 0.000 0.407 602 L N -0.780 120.430 121.223 -0.021 0.000 2.109 602 L HA -0.144 4.195 4.340 -0.001 0.000 0.207 602 L C 2.395 179.191 176.870 -0.125 0.000 1.086 602 L CA 0.496 55.305 54.840 -0.051 0.000 0.760 602 L CB -0.650 41.386 42.059 -0.039 0.000 0.910 602 L HN 0.077 nan 8.230 nan 0.000 0.437 603 V N 0.227 120.025 119.914 -0.193 0.000 2.358 603 V HA -0.192 3.928 4.120 -0.001 0.000 0.246 603 V C 2.658 178.342 176.094 -0.683 0.000 1.047 603 V CA 1.908 63.959 62.300 -0.415 0.000 1.035 603 V CB -1.331 30.187 31.823 -0.509 0.000 0.658 603 V HN 0.560 nan 8.190 nan 0.000 0.452 604 G N 0.444 108.845 108.800 -0.666 0.000 2.553 604 G HA2 -0.312 3.648 3.960 -0.001 0.000 0.218 604 G HA3 -0.312 3.648 3.960 -0.001 0.000 0.218 604 G C 1.609 176.365 174.900 -0.240 0.000 1.195 604 G CA 1.239 46.062 45.100 -0.462 0.000 0.779 604 G HN 0.507 nan 8.290 nan 0.000 0.577 605 K N 0.292 120.612 120.400 -0.134 0.000 2.097 605 K HA -0.067 4.252 4.320 -0.001 0.000 0.206 605 K C 2.132 178.682 176.600 -0.084 0.000 1.049 605 K CA 1.276 57.521 56.287 -0.069 0.000 0.933 605 K CB -0.182 32.306 32.500 -0.020 0.000 0.717 605 K HN 0.193 nan 8.250 nan 0.000 0.442 606 D N 1.134 121.459 120.400 -0.124 0.000 2.144 606 D HA -0.105 4.535 4.640 -0.001 0.000 0.199 606 D C 1.764 178.004 176.300 -0.101 0.000 0.984 606 D CA 1.021 54.965 54.000 -0.094 0.000 0.834 606 D CB -0.042 40.702 40.800 -0.093 0.000 0.955 606 D HN 0.151 nan 8.370 nan 0.000 0.465 607 L N -0.051 121.059 121.223 -0.188 0.000 2.591 607 L HA 0.092 4.431 4.340 -0.001 0.000 0.228 607 L C 0.324 177.147 176.870 -0.078 0.000 1.133 607 L CA 0.063 54.811 54.840 -0.154 0.000 0.880 607 L CB -0.121 41.759 42.059 -0.298 0.000 1.033 607 L HN -0.059 nan 8.230 nan 0.000 0.450 608 K N 0.606 120.964 120.400 -0.069 0.000 3.077 608 K HA -0.155 4.165 4.320 -0.001 0.000 0.264 608 K C -0.371 176.225 176.600 -0.007 0.000 1.008 608 K CA 0.527 56.802 56.287 -0.020 0.000 0.740 608 K CB -1.731 30.777 32.500 0.013 0.000 1.273 608 K HN 0.300 nan 8.250 nan 0.000 0.477 609 V N -1.837 118.057 119.914 -0.033 0.000 2.378 609 V HA 0.821 4.941 4.120 -0.001 0.000 0.288 609 V C -0.143 175.990 176.094 0.065 0.000 1.016 609 V CA -0.401 61.916 62.300 0.028 0.000 0.840 609 V CB 2.020 33.882 31.823 0.064 0.000 0.994 609 V HN 0.361 nan 8.190 nan 0.000 0.431 610 D N 0.000 120.437 120.400 0.062 0.000 6.856 610 D HA 0.000 4.640 4.640 -0.001 0.000 0.175 610 D CA 0.000 54.038 54.000 0.063 0.000 0.868 610 D CB 0.000 40.850 40.800 0.083 0.000 0.688 610 D HN 0.000 nan 8.370 nan 0.000 0.683