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 2grv_1_C DATA FIRST_RESID 25 DATA SEQUENCE APTQIIMAID SIGPGFNPHL LSDQSPVNAA IASLVLPSSF RPVPDPTSPT DATA SEQUENCE GSRWELDTTL LESAEVTQEN PFTVTYKIRP EAQWTDNAPI AADDYWYLWR DATA SEQUENCE QMVSQPGVVD PAGYDLITGV QSVEGGKQAV VTFSQPYPAW RELFNDILPA DATA SEQUENCE HIVKDIPGGF GAGLARAMPV TGGQFRVETI DPQRDEILLA RNDRFWSVPA DATA SEQUENCE KPDLVLFRRG GAPAALADSI RNGDTQVAQV HGGAATFAQL SAIPDVRTAR DATA SEQUENCE IVTPRVMQLT LRAQQPKLAD PQVRKAILGL IDVDLLASVG AGDDNTVTLA DATA SEQUENCE QAQVRSPSDP GYVPTAPPAM TRDDALELLR DAGYVSEPVX XXXXXXXXXX DATA SEQUENCE XXXXRERIVK DGVPLTIVLG VASNDPTSVA VANTAADQLR NVGIDASVLA DATA SEQUENCE LDPVALYGDA LVNNRVDAVV GWRQAGGDLA TVLASRYGcR ALXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XQAPSNITGI DATA SEQUENCE cDRSIQPRID AALDGTDDIA DVIQAVEPRL WNMATVLPIL QDTTIVAAGP DATA SEQUENCE SVQNVSLTGA VPVGIVGDAG DWTKT 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 25 A HA 0.000 nan 4.320 nan 0.000 0.244 25 A C 0.000 177.592 177.584 0.014 0.000 1.274 25 A CA 0.000 52.044 52.037 0.011 0.000 0.836 25 A CB 0.000 19.005 19.000 0.009 0.000 0.831 26 P HA 0.493 nan 4.420 nan 0.000 0.275 26 P C 0.224 177.538 177.300 0.024 0.000 1.228 26 P CA -0.029 63.084 63.100 0.022 0.000 0.786 26 P CB 0.601 32.317 31.700 0.026 0.000 0.927 27 T N -0.369 114.203 114.554 0.029 0.000 2.834 27 T HA 0.198 4.547 4.350 -0.001 0.000 0.298 27 T C -0.195 174.530 174.700 0.042 0.000 0.966 27 T CA -0.678 61.441 62.100 0.033 0.000 1.141 27 T CB 0.597 69.489 68.868 0.039 0.000 0.905 27 T HN 0.535 nan 8.240 nan 0.000 0.535 28 Q N 2.813 122.631 119.800 0.030 0.000 2.340 28 Q HA 0.587 4.927 4.340 -0.001 0.000 0.268 28 Q C -1.414 174.594 176.000 0.014 0.000 1.031 28 Q CA -0.916 54.901 55.803 0.024 0.000 0.804 28 Q CB 1.481 30.225 28.738 0.010 0.000 1.286 28 Q HN 0.804 nan 8.270 nan 0.000 0.448 29 I N 4.564 125.143 120.570 0.016 0.000 2.354 29 I HA 0.367 4.537 4.170 -0.001 0.000 0.292 29 I C -0.478 175.594 176.117 -0.075 0.000 0.989 29 I CA -0.588 60.711 61.300 -0.002 0.000 1.188 29 I CB 1.565 39.625 38.000 0.099 0.000 1.342 29 I HN 0.552 nan 8.210 nan 0.000 0.457 30 I N 6.897 127.409 120.570 -0.097 0.000 2.321 30 I HA 0.375 4.545 4.170 -0.001 0.000 0.291 30 I C -0.228 175.786 176.117 -0.171 0.000 0.998 30 I CA -0.316 60.906 61.300 -0.131 0.000 1.227 30 I CB 1.362 39.313 38.000 -0.082 0.000 1.368 30 I HN 0.532 nan 8.210 nan 0.000 0.466 31 M N 6.520 125.963 119.600 -0.260 0.000 2.167 31 M HA 0.623 5.103 4.480 -0.001 0.000 0.333 31 M C -0.523 175.717 176.300 -0.101 0.000 1.030 31 M CA -0.449 54.715 55.300 -0.227 0.000 0.963 31 M CB 1.420 33.803 32.600 -0.362 0.000 1.589 31 M HN 0.663 nan 8.290 nan 0.000 0.431 32 A N 6.378 129.175 122.820 -0.038 0.000 2.363 32 A HA 0.691 5.010 4.320 -0.001 0.000 0.270 32 A C -0.438 177.190 177.584 0.073 0.000 1.121 32 A CA -0.598 51.449 52.037 0.018 0.000 0.800 32 A CB 0.031 19.030 19.000 -0.001 0.000 1.052 32 A HN 0.961 nan 8.150 nan 0.000 0.493 33 I N -1.683 118.948 120.570 0.103 0.000 3.239 33 I HA 0.502 4.672 4.170 -0.001 0.000 0.314 33 I C -0.176 175.998 176.117 0.094 0.000 1.126 33 I CA -1.011 60.360 61.300 0.118 0.000 0.973 33 I CB 1.569 39.671 38.000 0.170 0.000 1.252 33 I HN 0.501 nan 8.210 nan 0.000 0.463 34 D N 1.296 121.758 120.400 0.102 0.000 2.085 34 D HA -0.024 4.616 4.640 -0.001 0.000 0.199 34 D C 0.790 177.133 176.300 0.072 0.000 0.981 34 D CA 1.946 56.007 54.000 0.101 0.000 0.834 34 D CB 0.144 41.034 40.800 0.149 0.000 0.992 34 D HN 0.724 nan 8.370 nan 0.000 0.457 35 S N -1.125 114.614 115.700 0.065 0.000 2.661 35 S HA 0.260 4.730 4.470 -0.001 0.000 0.268 35 S C 0.805 175.434 174.600 0.049 0.000 1.162 35 S CA -0.736 57.495 58.200 0.052 0.000 0.817 35 S CB 0.607 63.825 63.200 0.029 0.000 1.141 35 S HN 0.120 nan 8.310 nan 0.000 0.477 36 I N -0.584 120.021 120.570 0.058 0.000 2.830 36 I HA 0.493 4.662 4.170 -0.001 0.000 0.263 36 I C 1.204 177.295 176.117 -0.043 0.000 1.230 36 I CA 0.684 62.038 61.300 0.090 0.000 1.480 36 I CB -1.296 36.818 38.000 0.189 0.000 1.095 36 I HN 1.328 nan 8.210 nan 0.000 0.455 37 G N 1.951 110.697 108.800 -0.091 0.000 2.728 37 G HA2 -0.176 3.784 3.960 -0.001 0.000 0.294 37 G HA3 -0.176 3.784 3.960 -0.001 0.000 0.294 37 G C -1.966 172.789 174.900 -0.241 0.000 1.342 37 G CA -0.183 44.803 45.100 -0.189 0.000 0.866 37 G HN 0.149 nan 8.290 nan 0.000 0.534 38 P HA 0.303 nan 4.420 nan 0.000 0.227 38 P C 1.044 178.184 177.300 -0.266 0.000 1.161 38 P CA 2.176 65.163 63.100 -0.189 0.000 0.788 38 P CB 0.412 32.039 31.700 -0.120 0.000 0.822 39 G N -1.193 107.299 108.800 -0.513 0.000 2.320 39 G HA2 0.356 4.316 3.960 -0.001 0.000 0.296 39 G HA3 0.356 4.316 3.960 -0.001 0.000 0.296 39 G C -1.333 173.036 174.900 -0.884 0.000 1.306 39 G CA -0.657 44.112 45.100 -0.553 0.000 0.836 39 G HN -0.076 nan 8.290 nan 0.000 0.517 40 F N 0.248 120.136 119.950 -0.103 0.000 2.775 40 F HA 0.399 4.926 4.527 -0.001 0.000 0.313 40 F C 0.703 176.423 175.800 -0.133 0.000 1.121 40 F CA -0.691 57.240 58.000 -0.115 0.000 1.206 40 F CB 1.107 40.046 39.000 -0.101 0.000 1.052 40 F HN 0.273 nan 8.300 nan 0.000 0.524 41 N N 2.375 121.025 118.700 -0.084 0.000 2.462 41 N HA 0.233 4.973 4.740 -0.001 0.000 0.242 41 N C -2.086 173.302 175.510 -0.205 0.000 1.010 41 N CA -2.385 50.564 53.050 -0.168 0.000 0.939 41 N CB 1.435 39.738 38.487 -0.306 0.000 1.127 41 N HN -0.104 nan 8.380 nan 0.000 0.509 42 P HA -0.047 nan 4.420 nan 0.000 0.230 42 P C 0.403 177.518 177.300 -0.308 0.000 1.158 42 P CA 1.062 63.987 63.100 -0.291 0.000 0.769 42 P CB 0.148 31.644 31.700 -0.339 0.000 0.807 43 H N -1.502 117.528 119.070 -0.068 0.000 2.539 43 H HA 0.218 4.774 4.556 -0.001 0.000 0.267 43 H C 0.723 176.015 175.328 -0.060 0.000 0.982 43 H CA 0.214 56.245 56.048 -0.028 0.000 1.146 43 H CB 0.064 29.867 29.762 0.067 0.000 1.382 43 H HN 0.201 nan 8.280 nan 0.000 0.577 44 L N 1.030 122.223 121.223 -0.049 0.000 2.317 44 L HA 0.173 4.513 4.340 -0.001 0.000 0.281 44 L C 1.403 178.218 176.870 -0.093 0.000 1.024 44 L CA -0.487 54.303 54.840 -0.085 0.000 0.810 44 L CB 2.375 44.360 42.059 -0.124 0.000 1.240 44 L HN -0.034 nan 8.230 nan 0.000 0.427 45 L N 1.330 122.465 121.223 -0.147 0.000 2.079 45 L HA -0.222 4.118 4.340 -0.001 0.000 0.210 45 L C 2.580 179.456 176.870 0.011 0.000 1.081 45 L CA 1.665 56.439 54.840 -0.109 0.000 0.752 45 L CB -0.346 41.532 42.059 -0.302 0.000 0.896 45 L HN 0.928 nan 8.230 nan 0.000 0.433 46 S N -1.354 114.354 115.700 0.012 0.000 2.423 46 S HA -0.156 4.314 4.470 -0.001 0.000 0.231 46 S C 1.202 175.809 174.600 0.013 0.000 1.014 46 S CA 1.296 59.553 58.200 0.096 0.000 0.965 46 S CB -0.240 63.025 63.200 0.108 0.000 0.785 46 S HN 0.378 nan 8.310 nan 0.000 0.495 47 D N 0.989 121.351 120.400 -0.063 0.000 2.363 47 D HA 0.168 4.807 4.640 -0.001 0.000 0.214 47 D C -0.095 176.103 176.300 -0.171 0.000 1.093 47 D CA 0.044 53.956 54.000 -0.147 0.000 0.837 47 D CB -0.024 40.665 40.800 -0.185 0.000 0.948 47 D HN 0.335 nan 8.370 nan 0.000 0.507 48 Q N 1.003 120.730 119.800 -0.122 0.000 2.244 48 Q HA 0.249 4.588 4.340 -0.001 0.000 0.278 48 Q C 0.247 176.049 176.000 -0.330 0.000 1.093 48 Q CA 0.240 55.942 55.803 -0.168 0.000 0.916 48 Q CB 0.696 29.393 28.738 -0.068 0.000 1.159 48 Q HN 0.186 nan 8.270 nan 0.000 0.384 49 S N 1.556 117.078 115.700 -0.297 0.000 2.586 49 S HA 0.396 4.866 4.470 -0.001 0.000 0.277 49 S C -2.471 172.004 174.600 -0.209 0.000 1.131 49 S CA -0.990 57.018 58.200 -0.320 0.000 0.848 49 S CB 1.759 64.784 63.200 -0.293 0.000 1.091 49 S HN 0.230 nan 8.310 nan 0.000 0.453 50 P HA 0.001 nan 4.420 nan 0.000 0.220 50 P C 1.503 178.754 177.300 -0.082 0.000 1.148 50 P CA 0.764 63.801 63.100 -0.104 0.000 0.803 50 P CB -0.157 31.491 31.700 -0.088 0.000 0.782 51 V N 1.050 120.907 119.914 -0.095 0.000 2.323 51 V HA -0.209 3.911 4.120 -0.001 0.000 0.244 51 V C 2.654 178.687 176.094 -0.102 0.000 1.041 51 V CA 2.286 64.527 62.300 -0.098 0.000 1.025 51 V CB -1.770 30.008 31.823 -0.075 0.000 0.656 51 V HN 0.172 nan 8.190 nan 0.000 0.451 52 N N 1.168 119.782 118.700 -0.144 0.000 2.104 52 N HA -0.187 4.553 4.740 -0.001 0.000 0.190 52 N C 1.673 177.147 175.510 -0.060 0.000 1.024 52 N CA 1.987 54.967 53.050 -0.117 0.000 0.853 52 N CB -0.345 37.999 38.487 -0.239 0.000 1.008 52 N HN 0.413 nan 8.380 nan 0.000 0.424 53 A N -0.007 122.765 122.820 -0.081 0.000 1.930 53 A HA 0.158 4.477 4.320 -0.001 0.000 0.217 53 A C 2.355 179.915 177.584 -0.039 0.000 1.175 53 A CA 1.723 53.730 52.037 -0.050 0.000 0.627 53 A CB -1.135 17.838 19.000 -0.046 0.000 0.815 53 A HN 0.478 nan 8.150 nan 0.000 0.443 54 A N 0.134 122.917 122.820 -0.063 0.000 1.873 54 A HA -0.028 4.292 4.320 -0.001 0.000 0.215 54 A C 1.984 179.490 177.584 -0.130 0.000 1.186 54 A CA 1.598 53.590 52.037 -0.075 0.000 0.616 54 A CB -0.460 18.494 19.000 -0.077 0.000 0.823 54 A HN 0.385 nan 8.150 nan 0.000 0.442 55 I N 0.147 120.610 120.570 -0.178 0.000 2.252 55 I HA -0.206 3.964 4.170 -0.001 0.000 0.245 55 I C 2.951 179.029 176.117 -0.065 0.000 1.102 55 I CA 1.355 62.544 61.300 -0.184 0.000 1.385 55 I CB -1.745 36.156 38.000 -0.164 0.000 1.064 55 I HN 0.352 nan 8.210 nan 0.000 0.414 56 A N 0.230 123.043 122.820 -0.012 0.000 1.908 56 A HA -0.260 4.060 4.320 -0.001 0.000 0.218 56 A C 2.635 180.242 177.584 0.038 0.000 1.181 56 A CA 2.333 54.384 52.037 0.024 0.000 0.627 56 A CB -1.003 18.003 19.000 0.011 0.000 0.818 56 A HN 0.424 nan 8.150 nan 0.000 0.445 57 S N -0.686 115.025 115.700 0.018 0.000 2.374 57 S HA -0.123 4.347 4.470 -0.001 0.000 0.227 57 S C 1.773 176.384 174.600 0.018 0.000 1.037 57 S CA 1.723 59.939 58.200 0.026 0.000 1.024 57 S CB -0.409 62.794 63.200 0.004 0.000 0.861 57 S HN 0.490 nan 8.310 nan 0.000 0.456 58 L N 0.766 121.988 121.223 -0.002 0.000 2.416 58 L HA 0.160 4.499 4.340 -0.001 0.000 0.216 58 L C 2.119 179.028 176.870 0.066 0.000 1.098 58 L CA 0.632 55.492 54.840 0.034 0.000 0.840 58 L CB 0.050 42.080 42.059 -0.049 0.000 0.981 58 L HN 0.415 nan 8.230 nan 0.000 0.462 59 V N -4.133 115.809 119.914 0.047 0.000 3.484 59 V HA 0.280 4.399 4.120 -0.001 0.000 0.252 59 V C 0.721 176.895 176.094 0.133 0.000 1.282 59 V CA -0.197 62.147 62.300 0.073 0.000 1.104 59 V CB 0.182 32.037 31.823 0.052 0.000 0.868 59 V HN 0.039 nan 8.190 nan 0.000 0.457 60 L N 2.881 124.191 121.223 0.146 0.000 2.322 60 L HA 0.592 4.932 4.340 -0.001 0.000 0.279 60 L C -2.381 174.614 176.870 0.209 0.000 1.036 60 L CA -1.982 52.997 54.840 0.233 0.000 0.807 60 L CB 1.929 44.128 42.059 0.233 0.000 1.226 60 L HN 0.079 nan 8.230 nan 0.000 0.433 61 P HA 0.220 nan 4.420 nan 0.000 0.277 61 P C -1.026 176.404 177.300 0.217 0.000 1.240 61 P CA -0.374 62.848 63.100 0.204 0.000 0.798 61 P CB 1.612 33.383 31.700 0.117 0.000 0.979 62 S N 0.395 116.225 115.700 0.217 0.000 2.549 62 S HA 0.293 4.763 4.470 -0.001 0.000 0.280 62 S C 1.162 175.902 174.600 0.235 0.000 1.109 62 S CA -0.405 57.943 58.200 0.246 0.000 0.905 62 S CB 1.557 64.924 63.200 0.278 0.000 1.081 62 S HN 0.329 nan 8.310 nan 0.000 0.477 63 S N 1.119 116.988 115.700 0.281 0.000 2.371 63 S HA 0.184 4.654 4.470 -0.001 0.000 0.224 63 S C -0.171 174.405 174.600 -0.041 0.000 1.029 63 S CA 1.259 59.597 58.200 0.230 0.000 0.978 63 S CB -0.100 63.411 63.200 0.517 0.000 0.833 63 S HN 0.601 nan 8.310 nan 0.000 0.466 64 F N 0.533 120.700 119.950 0.361 0.000 2.576 64 F HA 0.563 5.089 4.527 -0.001 0.000 0.313 64 F C 0.089 176.161 175.800 0.453 0.000 1.078 64 F CA -1.083 57.150 58.000 0.389 0.000 0.921 64 F CB 1.335 40.591 39.000 0.428 0.000 1.232 64 F HN -0.340 nan 8.300 nan 0.000 0.459 65 R N 2.067 122.841 120.500 0.457 0.000 2.637 65 R HA 0.504 4.844 4.340 -0.001 0.000 0.291 65 R C -2.978 173.234 176.300 -0.147 0.000 0.963 65 R CA -2.079 54.130 56.100 0.181 0.000 0.901 65 R CB 1.904 32.260 30.300 0.094 0.000 1.160 65 R HN 0.228 nan 8.270 nan 0.000 0.457 66 P HA 0.215 nan 4.420 nan 0.000 0.288 66 P C -0.468 176.567 177.300 -0.442 0.000 1.267 66 P CA -0.508 62.007 63.100 -0.974 0.000 0.815 66 P CB 1.365 32.206 31.700 -1.433 0.000 0.989 67 V N -0.199 119.504 119.914 -0.350 0.000 2.769 67 V HA 0.647 4.767 4.120 -0.001 0.000 0.312 67 V C -2.843 173.153 176.094 -0.165 0.000 1.061 67 V CA -3.397 58.791 62.300 -0.187 0.000 0.931 67 V CB 1.448 33.209 31.823 -0.104 0.000 1.010 67 V HN 0.240 nan 8.190 nan 0.000 0.433 68 P HA 0.281 nan 4.420 nan 0.000 0.264 68 P C -1.013 176.254 177.300 -0.054 0.000 1.193 68 P CA 0.682 63.738 63.100 -0.072 0.000 0.763 68 P CB 0.213 31.887 31.700 -0.043 0.000 0.810 69 D N 3.960 124.335 120.400 -0.043 0.000 2.365 69 D HA 0.189 4.829 4.640 -0.001 0.000 0.235 69 D C -2.259 174.036 176.300 -0.008 0.000 1.368 69 D CA -1.907 52.079 54.000 -0.024 0.000 1.001 69 D CB 1.077 41.861 40.800 -0.027 0.000 1.364 69 D HN 0.000 nan 8.370 nan 0.000 0.577 70 P HA -0.003 nan 4.420 nan 0.000 0.230 70 P C 1.074 178.381 177.300 0.013 0.000 1.158 70 P CA 0.729 63.834 63.100 0.009 0.000 0.769 70 P CB 0.395 32.101 31.700 0.009 0.000 0.807 71 T N -1.948 112.612 114.554 0.009 0.000 3.055 71 T HA -0.009 4.341 4.350 -0.001 0.000 0.265 71 T C 0.973 175.681 174.700 0.013 0.000 1.111 71 T CA 0.622 62.728 62.100 0.011 0.000 1.118 71 T CB -0.296 68.577 68.868 0.007 0.000 0.909 71 T HN 0.094 nan 8.240 nan 0.000 0.501 72 S N 1.269 116.978 115.700 0.016 0.000 2.537 72 S HA 0.228 4.698 4.470 -0.001 0.000 0.275 72 S C -1.806 172.815 174.600 0.034 0.000 1.272 72 S CA -1.795 56.420 58.200 0.024 0.000 1.050 72 S CB 1.212 64.430 63.200 0.031 0.000 0.961 72 S HN -0.055 nan 8.310 nan 0.000 0.496 73 P HA -0.037 nan 4.420 nan 0.000 0.220 73 P C 1.013 178.350 177.300 0.061 0.000 1.144 73 P CA 1.028 64.155 63.100 0.045 0.000 0.800 73 P CB 0.158 31.880 31.700 0.036 0.000 0.772 74 T N -3.124 111.471 114.554 0.067 0.000 3.022 74 T HA 0.318 4.667 4.350 -0.001 0.000 0.250 74 T C 1.401 176.143 174.700 0.070 0.000 1.060 74 T CA 0.764 62.916 62.100 0.088 0.000 1.013 74 T CB -0.466 68.481 68.868 0.130 0.000 0.982 74 T HN 0.209 nan 8.240 nan 0.000 0.508 75 G N 0.950 109.777 108.800 0.046 0.000 2.205 75 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.261 75 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.261 75 G C 0.243 175.135 174.900 -0.014 0.000 0.980 75 G CA 0.383 45.494 45.100 0.019 0.000 0.632 75 G HN 0.600 nan 8.290 nan 0.000 0.533 76 S N -0.507 115.186 115.700 -0.013 0.000 2.542 76 S HA 0.751 5.221 4.470 -0.001 0.000 0.293 76 S C -0.153 174.386 174.600 -0.103 0.000 1.089 76 S CA -0.719 57.407 58.200 -0.123 0.000 0.961 76 S CB 2.410 65.466 63.200 -0.240 0.000 1.062 76 S HN 0.608 nan 8.310 nan 0.000 0.483 77 R N 0.865 121.251 120.500 -0.190 0.000 2.514 77 R HA 0.439 4.779 4.340 -0.001 0.000 0.301 77 R C -1.838 174.314 176.300 -0.246 0.000 0.962 77 R CA -0.618 55.423 56.100 -0.099 0.000 0.882 77 R CB 0.870 31.143 30.300 -0.044 0.000 1.143 77 R HN 0.638 nan 8.270 nan 0.000 0.452 78 W N 2.956 124.221 121.300 -0.058 0.000 2.314 78 W HA 0.338 4.998 4.660 -0.000 0.000 0.310 78 W C -0.218 176.362 176.519 0.102 0.000 1.075 78 W CA -0.340 56.996 57.345 -0.015 0.000 1.253 78 W CB 1.296 30.655 29.460 -0.168 0.000 1.238 78 W HN 0.384 nan 8.180 nan 0.000 0.440 79 E N 2.416 122.835 120.200 0.366 0.000 2.212 79 E HA 0.309 4.658 4.350 -0.001 0.000 0.268 79 E C -0.926 175.934 176.600 0.434 0.000 0.902 79 E CA -1.527 55.092 56.400 0.366 0.000 0.779 79 E CB 2.157 31.952 29.700 0.158 0.000 1.172 79 E HN 0.236 nan 8.360 nan 0.000 0.409 80 L N 3.155 124.560 121.223 0.304 0.000 2.601 80 L HA -0.051 4.289 4.340 -0.001 0.000 0.277 80 L C -0.028 176.811 176.870 -0.052 0.000 1.219 80 L CA 0.654 55.407 54.840 -0.145 0.000 0.915 80 L CB 0.148 42.166 42.059 -0.069 0.000 1.160 80 L HN 0.445 nan 8.230 nan 0.000 0.494 81 D N 3.138 123.477 120.400 -0.101 0.000 2.374 81 D HA 0.019 4.659 4.640 -0.001 0.000 0.240 81 D C 1.106 177.427 176.300 0.035 0.000 1.229 81 D CA 0.470 54.485 54.000 0.024 0.000 0.895 81 D CB 0.973 41.824 40.800 0.084 0.000 1.046 81 D HN 0.761 nan 8.370 nan 0.000 0.498 82 T N 0.021 114.603 114.554 0.047 0.000 3.035 82 T HA -0.099 4.250 4.350 -0.001 0.000 0.268 82 T C 1.673 176.432 174.700 0.097 0.000 1.109 82 T CA 0.788 62.922 62.100 0.057 0.000 1.119 82 T CB -0.095 68.799 68.868 0.044 0.000 0.900 82 T HN 0.233 nan 8.240 nan 0.000 0.503 83 T N 2.058 116.683 114.554 0.119 0.000 2.746 83 T HA 0.044 4.394 4.350 -0.001 0.000 0.267 83 T C 1.664 176.609 174.700 0.409 0.000 1.039 83 T CA 1.272 63.478 62.100 0.177 0.000 1.142 83 T CB -0.340 68.592 68.868 0.107 0.000 0.866 83 T HN 0.267 nan 8.240 nan 0.000 0.444 84 L N -0.481 120.935 121.223 0.322 0.000 2.168 84 L HA 0.414 4.754 4.340 -0.001 0.000 0.203 84 L C 0.291 177.244 176.870 0.137 0.000 1.078 84 L CA 1.261 56.279 54.840 0.296 0.000 0.780 84 L CB -0.071 42.139 42.059 0.252 0.000 0.939 84 L HN 0.145 nan 8.230 nan 0.000 0.451 85 L N -0.543 120.746 121.223 0.109 0.000 2.342 85 L HA 0.318 4.658 4.340 -0.001 0.000 0.271 85 L C 0.952 177.850 176.870 0.047 0.000 1.008 85 L CA -0.417 54.466 54.840 0.071 0.000 0.818 85 L CB 1.875 43.984 42.059 0.083 0.000 1.296 85 L HN 0.009 nan 8.230 nan 0.000 0.427 86 E N 0.645 120.864 120.200 0.031 0.000 2.086 86 E HA -0.005 4.345 4.350 -0.001 0.000 0.190 86 E C -0.076 176.540 176.600 0.027 0.000 0.975 86 E CA 0.720 57.133 56.400 0.021 0.000 0.813 86 E CB 0.450 30.152 29.700 0.004 0.000 0.768 86 E HN 0.663 nan 8.360 nan 0.000 0.457 87 S N -0.912 114.808 115.700 0.033 0.000 2.552 87 S HA 0.706 5.175 4.470 -0.001 0.000 0.272 87 S C -1.366 173.270 174.600 0.059 0.000 1.150 87 S CA -0.841 57.385 58.200 0.044 0.000 0.849 87 S CB 2.020 65.235 63.200 0.025 0.000 1.113 87 S HN 0.122 nan 8.310 nan 0.000 0.458 88 A N 1.655 124.539 122.820 0.106 0.000 2.414 88 A HA 0.812 5.131 4.320 -0.001 0.000 0.286 88 A C -0.673 177.028 177.584 0.195 0.000 1.073 88 A CA -0.535 51.562 52.037 0.100 0.000 0.727 88 A CB 0.895 20.102 19.000 0.346 0.000 1.215 88 A HN 1.106 nan 8.150 nan 0.000 0.430 89 E N 1.003 121.139 120.200 -0.105 0.000 2.413 89 E HA 0.588 4.938 4.350 -0.001 0.000 0.277 89 E C -1.333 174.993 176.600 -0.457 0.000 0.958 89 E CA -1.083 55.243 56.400 -0.122 0.000 0.779 89 E CB 1.632 31.315 29.700 -0.027 0.000 1.278 89 E HN 0.229 nan 8.360 nan 0.000 0.456 90 V N 2.506 122.134 119.914 -0.476 0.000 2.450 90 V HA 0.004 4.124 4.120 -0.001 0.000 0.281 90 V C 0.618 176.500 176.094 -0.354 0.000 1.019 90 V CA 0.602 62.548 62.300 -0.591 0.000 1.062 90 V CB 0.582 32.103 31.823 -0.504 0.000 0.979 90 V HN 0.895 nan 8.190 nan 0.000 0.477 91 T N 3.533 117.869 114.554 -0.363 0.000 3.031 91 T HA 0.055 4.404 4.350 -0.001 0.000 0.254 91 T C 0.550 175.142 174.700 -0.180 0.000 1.060 91 T CA 0.609 62.572 62.100 -0.228 0.000 1.135 91 T CB 0.108 68.850 68.868 -0.211 0.000 0.896 91 T HN 0.665 nan 8.240 nan 0.000 0.472 92 Q N -0.080 119.587 119.800 -0.220 0.000 2.377 92 Q HA 0.300 4.640 4.340 -0.001 0.000 0.279 92 Q C -0.499 175.423 176.000 -0.130 0.000 1.049 92 Q CA -0.437 55.283 55.803 -0.137 0.000 0.825 92 Q CB 1.510 30.188 28.738 -0.100 0.000 1.401 92 Q HN -0.184 nan 8.270 nan 0.000 0.404 93 E N 1.854 122.037 120.200 -0.028 0.000 2.447 93 E HA 0.050 4.400 4.350 -0.001 0.000 0.204 93 E C 0.238 176.897 176.600 0.099 0.000 0.977 93 E CA 0.160 56.602 56.400 0.070 0.000 0.950 93 E CB 0.498 30.238 29.700 0.067 0.000 0.975 93 E HN 0.640 nan 8.360 nan 0.000 0.496 94 N N 1.524 120.255 118.700 0.051 0.000 2.073 94 N HA -0.038 4.701 4.740 -0.001 0.000 0.190 94 N C -1.928 173.630 175.510 0.080 0.000 1.075 94 N CA 0.671 53.753 53.050 0.054 0.000 0.866 94 N CB -0.924 37.580 38.487 0.028 0.000 1.051 94 N HN -0.049 nan 8.380 nan 0.000 0.437 95 P HA 0.102 nan 4.420 nan 0.000 0.273 95 P C -0.946 176.426 177.300 0.120 0.000 1.319 95 P CA -0.199 62.956 63.100 0.093 0.000 0.885 95 P CB -0.604 31.127 31.700 0.051 0.000 1.015 96 F N 4.598 124.567 119.950 0.032 0.000 2.514 96 F HA 0.059 4.585 4.527 -0.001 0.000 0.399 96 F C 0.424 176.272 175.800 0.080 0.000 1.011 96 F CA 0.943 58.945 58.000 0.003 0.000 1.109 96 F CB -0.079 38.905 39.000 -0.026 0.000 0.980 96 F HN 0.254 nan 8.300 nan 0.000 0.538 97 T N 3.615 117.874 114.554 -0.491 0.000 2.893 97 T HA 0.729 5.079 4.350 -0.001 0.000 0.293 97 T C -1.001 173.332 174.700 -0.611 0.000 1.027 97 T CA -0.988 60.911 62.100 -0.335 0.000 0.988 97 T CB 1.503 70.263 68.868 -0.180 0.000 1.043 97 T HN 0.327 nan 8.240 nan 0.000 0.461 98 V N 2.727 122.379 119.914 -0.436 0.000 2.495 98 V HA 0.730 4.849 4.120 -0.001 0.000 0.298 98 V C 0.372 176.202 176.094 -0.441 0.000 1.031 98 V CA -0.781 61.138 62.300 -0.635 0.000 0.871 98 V CB 1.835 33.191 31.823 -0.779 0.000 0.988 98 V HN 1.226 nan 8.190 nan 0.000 0.432 99 T N 1.559 115.836 114.554 -0.462 0.000 2.770 99 T HA 0.687 5.037 4.350 -0.001 0.000 0.283 99 T C -1.021 173.466 174.700 -0.355 0.000 0.988 99 T CA -0.510 61.405 62.100 -0.308 0.000 0.957 99 T CB 0.636 69.388 68.868 -0.195 0.000 0.930 99 T HN 0.342 nan 8.240 nan 0.000 0.443 100 Y N 1.763 121.974 120.300 -0.148 0.000 2.328 100 Y HA 0.455 5.005 4.550 -0.001 0.000 0.337 100 Y C 0.867 176.669 175.900 -0.164 0.000 1.008 100 Y CA -0.996 57.027 58.100 -0.129 0.000 1.129 100 Y CB 1.505 39.815 38.460 -0.250 0.000 1.185 100 Y HN 0.460 nan 8.280 nan 0.000 0.476 101 K N 5.352 125.772 120.400 0.033 0.000 2.334 101 K HA 0.446 4.766 4.320 -0.001 0.000 0.265 101 K C -0.884 175.712 176.600 -0.007 0.000 1.039 101 K CA -0.296 55.982 56.287 -0.015 0.000 0.920 101 K CB 1.007 33.493 32.500 -0.023 0.000 1.160 101 K HN 0.612 nan 8.250 nan 0.000 0.451 102 I N 2.826 123.368 120.570 -0.046 0.000 2.472 102 I HA 0.204 4.374 4.170 -0.001 0.000 0.290 102 I C 0.710 176.773 176.117 -0.090 0.000 1.016 102 I CA -0.705 60.562 61.300 -0.054 0.000 1.348 102 I CB 0.699 38.653 38.000 -0.077 0.000 1.417 102 I HN 0.296 nan 8.210 nan 0.000 0.521 103 R N 5.896 126.328 120.500 -0.113 0.000 2.537 103 R HA 0.090 4.430 4.340 -0.001 0.000 0.280 103 R C -1.580 174.580 176.300 -0.234 0.000 1.058 103 R CA -1.201 54.808 56.100 -0.152 0.000 1.057 103 R CB 0.269 30.483 30.300 -0.143 0.000 0.973 103 R HN 0.374 nan 8.270 nan 0.000 0.438 104 P HA -0.184 nan 4.420 nan 0.000 0.215 104 P C 0.212 177.361 177.300 -0.253 0.000 1.153 104 P CA 1.352 64.345 63.100 -0.179 0.000 0.853 104 P CB 0.289 31.919 31.700 -0.117 0.000 0.788 105 E N -0.054 119.970 120.200 -0.293 0.000 2.274 105 E HA 0.049 4.399 4.350 -0.001 0.000 0.194 105 E C 0.984 177.137 176.600 -0.744 0.000 0.996 105 E CA 0.389 56.584 56.400 -0.341 0.000 0.840 105 E CB -0.876 28.721 29.700 -0.172 0.000 0.772 105 E HN 0.147 nan 8.360 nan 0.000 0.491 106 A N 2.025 124.146 122.820 -1.164 0.000 2.515 106 A HA 0.181 4.501 4.320 -0.001 0.000 0.263 106 A C -0.022 176.897 177.584 -1.108 0.000 1.096 106 A CA 0.013 50.893 52.037 -1.927 0.000 0.769 106 A CB -0.437 17.770 19.000 -1.322 0.000 1.040 106 A HN 0.236 nan 8.150 nan 0.000 0.505 107 Q N 1.840 121.049 119.800 -0.986 0.000 2.416 107 Q HA 0.585 4.924 4.340 -0.001 0.000 0.281 107 Q C -1.182 174.702 176.000 -0.192 0.000 1.067 107 Q CA -0.912 54.648 55.803 -0.405 0.000 0.809 107 Q CB 0.891 29.544 28.738 -0.142 0.000 1.418 107 Q HN 0.670 nan 8.270 nan 0.000 0.411 108 W N 0.582 121.938 121.300 0.093 0.000 2.034 108 W HA 0.180 4.839 4.660 -0.000 0.000 0.357 108 W C 1.573 178.196 176.519 0.174 0.000 1.326 108 W CA -0.006 57.443 57.345 0.174 0.000 1.318 108 W CB 0.561 30.143 29.460 0.204 0.000 1.193 108 W HN 0.724 nan 8.180 nan 0.000 0.620 109 T N 0.835 115.671 114.554 0.470 0.000 2.929 109 T HA -0.193 4.156 4.350 -0.001 0.000 0.271 109 T C 1.000 175.837 174.700 0.229 0.000 1.085 109 T CA 1.720 63.999 62.100 0.297 0.000 1.125 109 T CB -0.380 68.635 68.868 0.244 0.000 0.874 109 T HN 0.474 nan 8.240 nan 0.000 0.494 110 D N 0.042 120.595 120.400 0.255 0.000 2.358 110 D HA 0.073 4.712 4.640 -0.001 0.000 0.224 110 D C 0.571 176.970 176.300 0.166 0.000 1.123 110 D CA -0.092 54.021 54.000 0.189 0.000 0.833 110 D CB -0.453 40.461 40.800 0.190 0.000 0.946 110 D HN 0.143 nan 8.370 nan 0.000 0.505 111 N N -0.842 117.964 118.700 0.175 0.000 2.965 111 N HA -0.160 4.580 4.740 -0.001 0.000 0.232 111 N C 0.137 175.704 175.510 0.095 0.000 0.913 111 N CA 1.016 54.136 53.050 0.116 0.000 0.981 111 N CB -1.628 36.904 38.487 0.074 0.000 1.077 111 N HN 0.540 nan 8.380 nan 0.000 0.589 112 A N 1.382 124.290 122.820 0.146 0.000 2.425 112 A HA 0.450 4.770 4.320 -0.001 0.000 0.249 112 A C -1.867 175.818 177.584 0.169 0.000 1.084 112 A CA -0.614 51.474 52.037 0.084 0.000 0.781 112 A CB 0.226 19.162 19.000 -0.105 0.000 1.019 112 A HN 0.051 nan 8.150 nan 0.000 0.490 113 P HA 0.201 nan 4.420 nan 0.000 0.275 113 P C -0.610 176.705 177.300 0.025 0.000 1.227 113 P CA 0.073 63.155 63.100 -0.029 0.000 0.781 113 P CB 0.500 32.166 31.700 -0.057 0.000 0.906 114 I N 1.956 122.344 120.570 -0.303 0.000 2.421 114 I HA 0.318 4.488 4.170 -0.001 0.000 0.291 114 I C 0.947 177.046 176.117 -0.029 0.000 1.089 114 I CA 0.305 61.426 61.300 -0.299 0.000 1.354 114 I CB 0.074 37.657 38.000 -0.694 0.000 1.413 114 I HN 0.410 nan 8.210 nan 0.000 0.513 115 A N 4.839 127.766 122.820 0.179 0.000 2.504 115 A HA 0.820 5.140 4.320 -0.001 0.000 0.285 115 A C 0.827 178.536 177.584 0.209 0.000 1.261 115 A CA -0.039 52.072 52.037 0.123 0.000 0.741 115 A CB 0.756 19.804 19.000 0.081 0.000 1.327 115 A HN 0.665 nan 8.150 nan 0.000 0.441 116 A N -0.553 122.317 122.820 0.084 0.000 2.019 116 A HA -0.092 4.228 4.320 -0.001 0.000 0.219 116 A C 1.278 179.017 177.584 0.257 0.000 1.164 116 A CA 2.289 54.368 52.037 0.071 0.000 0.644 116 A CB -0.707 18.273 19.000 -0.033 0.000 0.805 116 A HN 0.719 nan 8.150 nan 0.000 0.449 117 D N 0.603 121.142 120.400 0.233 0.000 2.149 117 D HA -0.139 4.500 4.640 -0.001 0.000 0.198 117 D C 1.250 177.835 176.300 0.476 0.000 0.990 117 D CA 1.402 55.579 54.000 0.294 0.000 0.839 117 D CB -0.357 40.542 40.800 0.164 0.000 0.948 117 D HN 0.470 nan 8.370 nan 0.000 0.460 118 D N -0.395 120.286 120.400 0.469 0.000 2.144 118 D HA -0.136 4.503 4.640 -0.001 0.000 0.200 118 D C 2.020 178.630 176.300 0.517 0.000 0.978 118 D CA 0.662 54.971 54.000 0.515 0.000 0.833 118 D CB -0.249 40.915 40.800 0.606 0.000 0.961 118 D HN 0.306 nan 8.370 nan 0.000 0.470 119 Y N -0.093 120.386 120.300 0.299 0.000 2.133 119 Y HA -0.174 4.376 4.550 -0.001 0.000 0.287 119 Y C 2.381 178.542 175.900 0.436 0.000 1.134 119 Y CA 0.861 59.069 58.100 0.180 0.000 1.133 119 Y CB -0.868 37.407 38.460 -0.309 0.000 0.987 119 Y HN 0.091 nan 8.280 nan 0.000 0.502 120 W N -0.403 121.150 121.300 0.422 0.000 2.318 120 W HA -0.367 4.292 4.660 -0.001 0.000 0.313 120 W C 2.420 179.192 176.519 0.423 0.000 1.221 120 W CA 2.301 59.924 57.345 0.464 0.000 1.266 120 W CB -0.946 28.715 29.460 0.336 0.000 1.150 120 W HN 0.234 nan 8.180 nan 0.000 0.496 121 Y N 0.391 120.957 120.300 0.443 0.000 2.145 121 Y HA -0.252 4.297 4.550 -0.001 0.000 0.286 121 Y C 2.297 178.128 175.900 -0.115 0.000 1.145 121 Y CA 2.314 60.481 58.100 0.112 0.000 1.148 121 Y CB -1.019 37.599 38.460 0.263 0.000 0.981 121 Y HN 0.035 nan 8.280 nan 0.000 0.507 122 L N -0.266 120.998 121.223 0.068 0.000 2.046 122 L HA -0.156 4.184 4.340 -0.001 0.000 0.208 122 L C 2.170 178.823 176.870 -0.362 0.000 1.077 122 L CA 2.112 56.849 54.840 -0.171 0.000 0.747 122 L CB -1.284 40.822 42.059 0.079 0.000 0.896 122 L HN 0.573 nan 8.230 nan 0.000 0.432 123 W N 0.735 121.924 121.300 -0.185 0.000 2.333 123 W HA -0.223 4.437 4.660 -0.000 0.000 0.316 123 W C 2.463 178.690 176.519 -0.486 0.000 1.215 123 W CA 1.673 58.890 57.345 -0.214 0.000 1.278 123 W CB -0.439 29.063 29.460 0.070 0.000 1.154 123 W HN 0.004 nan 8.180 nan 0.000 0.486 124 R N 0.210 120.083 120.500 -1.044 0.000 2.091 124 R HA -0.158 4.182 4.340 -0.001 0.000 0.238 124 R C 2.063 177.742 176.300 -1.034 0.000 1.136 124 R CA 1.717 57.022 56.100 -1.325 0.000 0.959 124 R CB -1.256 28.208 30.300 -1.393 0.000 0.856 124 R HN 0.379 nan 8.270 nan 0.000 0.437 125 Q N -0.249 118.884 119.800 -1.111 0.000 2.079 125 Q HA 0.028 4.367 4.340 -0.001 0.000 0.200 125 Q C 2.028 177.429 176.000 -0.998 0.000 0.974 125 Q CA 0.937 55.986 55.803 -1.257 0.000 0.840 125 Q CB -0.194 27.297 28.738 -2.079 0.000 0.898 125 Q HN 0.224 nan 8.270 nan 0.000 0.430 126 M N -0.142 118.912 119.600 -0.910 0.000 2.279 126 M HA -0.080 4.399 4.480 -0.001 0.000 0.264 126 M C 2.074 178.092 176.300 -0.470 0.000 1.062 126 M CA 0.835 55.706 55.300 -0.715 0.000 1.099 126 M CB -0.625 31.266 32.600 -1.181 0.000 1.394 126 M HN -0.030 nan 8.290 nan 0.000 0.426 127 V N -0.420 119.194 119.914 -0.501 0.000 2.992 127 V HA -0.070 4.050 4.120 -0.001 0.000 0.250 127 V C 2.203 178.094 176.094 -0.339 0.000 1.090 127 V CA 1.582 63.667 62.300 -0.360 0.000 1.101 127 V CB -0.087 31.481 31.823 -0.425 0.000 0.743 127 V HN 0.551 nan 8.190 nan 0.000 0.468 128 S N -2.188 113.258 115.700 -0.423 0.000 2.497 128 S HA 0.155 4.625 4.470 -0.001 0.000 0.218 128 S C 0.908 175.351 174.600 -0.262 0.000 1.023 128 S CA -0.217 57.784 58.200 -0.332 0.000 0.913 128 S CB 0.079 63.056 63.200 -0.373 0.000 0.800 128 S HN 0.424 nan 8.310 nan 0.000 0.505 129 Q N 3.262 122.883 119.800 -0.299 0.000 2.286 129 Q HA 0.426 4.766 4.340 -0.001 0.000 0.257 129 Q C -2.587 173.347 176.000 -0.110 0.000 0.941 129 Q CA -2.175 53.520 55.803 -0.181 0.000 0.912 129 Q CB 0.990 29.632 28.738 -0.161 0.000 1.192 129 Q HN 0.329 nan 8.270 nan 0.000 0.410 130 P HA 0.050 nan 4.420 nan 0.000 0.272 130 P C 0.297 177.560 177.300 -0.062 0.000 1.223 130 P CA 0.217 63.300 63.100 -0.028 0.000 0.784 130 P CB 0.539 32.261 31.700 0.036 0.000 0.923 131 G N 0.604 109.296 108.800 -0.181 0.000 2.221 131 G HA2 -0.132 3.828 3.960 -0.001 0.000 0.265 131 G HA3 -0.132 3.828 3.960 -0.001 0.000 0.265 131 G C 0.030 174.713 174.900 -0.362 0.000 1.041 131 G CA 0.118 44.875 45.100 -0.571 0.000 0.807 131 G HN 0.705 nan 8.290 nan 0.000 0.502 132 V N -2.751 117.050 119.914 -0.188 0.000 2.837 132 V HA 0.822 4.941 4.120 -0.001 0.000 0.310 132 V C 1.056 177.101 176.094 -0.082 0.000 1.059 132 V CA -1.126 61.123 62.300 -0.085 0.000 1.004 132 V CB 1.973 33.773 31.823 -0.038 0.000 1.045 132 V HN 0.558 nan 8.190 nan 0.000 0.465 133 V N 3.170 123.076 119.914 -0.013 0.000 2.485 133 V HA 0.091 4.210 4.120 -0.001 0.000 0.287 133 V C 0.411 176.528 176.094 0.038 0.000 1.022 133 V CA 0.118 62.427 62.300 0.014 0.000 1.067 133 V CB -0.227 31.632 31.823 0.060 0.000 0.967 133 V HN 1.100 nan 8.190 nan 0.000 0.479 134 D N 6.961 127.372 120.400 0.018 0.000 3.350 134 D HA -0.153 4.487 4.640 -0.001 0.000 0.192 134 D C -1.660 174.687 176.300 0.077 0.000 1.258 134 D CA 0.328 54.350 54.000 0.036 0.000 0.762 134 D CB -0.064 40.767 40.800 0.051 0.000 0.888 134 D HN 0.541 nan 8.370 nan 0.000 0.415 135 P HA 0.103 nan 4.420 nan 0.000 0.257 135 P C 1.103 178.451 177.300 0.079 0.000 1.325 135 P CA 0.085 63.251 63.100 0.109 0.000 0.850 135 P CB 0.420 32.123 31.700 0.005 0.000 1.324 136 A N 0.827 123.664 122.820 0.028 0.000 1.978 136 A HA -0.082 4.238 4.320 -0.001 0.000 0.220 136 A C 2.383 179.882 177.584 -0.141 0.000 1.170 136 A CA 2.066 54.091 52.037 -0.020 0.000 0.636 136 A CB -1.739 17.265 19.000 0.008 0.000 0.810 136 A HN 0.313 nan 8.150 nan 0.000 0.448 137 G N -1.928 106.719 108.800 -0.255 0.000 2.394 137 G HA2 -0.139 3.820 3.960 -0.001 0.000 0.215 137 G HA3 -0.139 3.820 3.960 -0.001 0.000 0.215 137 G C 1.446 176.070 174.900 -0.460 0.000 1.165 137 G CA 0.972 45.572 45.100 -0.832 0.000 0.784 137 G HN 0.560 nan 8.290 nan 0.000 0.535 138 Y N 1.359 121.556 120.300 -0.173 0.000 2.274 138 Y HA -0.090 4.459 4.550 -0.001 0.000 0.290 138 Y C 2.506 178.414 175.900 0.015 0.000 1.145 138 Y CA 1.276 59.337 58.100 -0.065 0.000 1.203 138 Y CB 0.106 38.529 38.460 -0.061 0.000 0.984 138 Y HN 0.142 nan 8.280 nan 0.000 0.533 139 D N -0.160 120.305 120.400 0.109 0.000 2.310 139 D HA -0.103 4.536 4.640 -0.001 0.000 0.212 139 D C 1.767 178.103 176.300 0.059 0.000 0.965 139 D CA 0.983 55.033 54.000 0.082 0.000 0.879 139 D CB -0.173 40.642 40.800 0.025 0.000 0.921 139 D HN 0.377 nan 8.370 nan 0.000 0.510 140 L N 0.237 121.459 121.223 -0.002 0.000 2.492 140 L HA 0.127 4.467 4.340 -0.001 0.000 0.223 140 L C 0.936 177.801 176.870 -0.008 0.000 1.132 140 L CA -0.042 54.820 54.840 0.037 0.000 0.850 140 L CB 0.015 42.107 42.059 0.055 0.000 0.966 140 L HN -0.112 nan 8.230 nan 0.000 0.454 141 I N 0.015 120.469 120.570 -0.194 0.000 2.618 141 I HA -0.089 4.080 4.170 -0.001 0.000 0.284 141 I C 1.380 177.277 176.117 -0.366 0.000 1.146 141 I CA 0.336 61.265 61.300 -0.618 0.000 1.425 141 I CB 1.194 38.626 38.000 -0.947 0.000 1.383 141 I HN -0.044 nan 8.210 nan 0.000 0.562 142 T N 3.894 118.200 114.554 -0.413 0.000 3.040 142 T HA 0.256 4.606 4.350 -0.001 0.000 0.252 142 T C 0.417 174.970 174.700 -0.246 0.000 1.064 142 T CA 0.439 62.433 62.100 -0.176 0.000 1.110 142 T CB 0.370 69.192 68.868 -0.076 0.000 0.921 142 T HN 0.888 nan 8.240 nan 0.000 0.480 143 G N -0.146 108.310 108.800 -0.574 0.000 2.519 143 G HA2 0.485 4.445 3.960 -0.001 0.000 0.292 143 G HA3 0.485 4.445 3.960 -0.001 0.000 0.292 143 G C -2.159 172.418 174.900 -0.537 0.000 1.507 143 G CA -0.511 44.279 45.100 -0.516 0.000 0.806 143 G HN 0.035 nan 8.290 nan 0.000 0.523 144 V N 1.780 121.561 119.914 -0.222 0.000 2.447 144 V HA 0.481 4.600 4.120 -0.001 0.000 0.292 144 V C -0.618 175.566 176.094 0.150 0.000 1.021 144 V CA -0.823 61.476 62.300 -0.001 0.000 0.850 144 V CB 1.408 33.341 31.823 0.183 0.000 1.005 144 V HN 0.698 nan 8.190 nan 0.000 0.426 145 Q N 1.931 121.751 119.800 0.034 0.000 2.245 145 Q HA 0.487 4.826 4.340 -0.001 0.000 0.256 145 Q C -0.136 175.857 176.000 -0.012 0.000 0.942 145 Q CA -0.249 55.564 55.803 0.017 0.000 0.896 145 Q CB 2.378 31.108 28.738 -0.013 0.000 1.272 145 Q HN 0.676 nan 8.270 nan 0.000 0.442 146 S N 1.870 117.555 115.700 -0.024 0.000 2.438 146 S HA 0.539 5.009 4.470 -0.001 0.000 0.293 146 S C -0.523 174.047 174.600 -0.050 0.000 1.141 146 S CA -0.447 57.728 58.200 -0.042 0.000 1.080 146 S CB 0.270 63.442 63.200 -0.047 0.000 0.978 146 S HN 0.355 nan 8.310 nan 0.000 0.479 147 V N 4.242 124.122 119.914 -0.057 0.000 3.040 147 V HA 0.601 4.720 4.120 -0.001 0.000 0.312 147 V C -0.463 175.597 176.094 -0.057 0.000 1.115 147 V CA -0.922 61.345 62.300 -0.055 0.000 0.998 147 V CB 1.783 33.573 31.823 -0.056 0.000 1.042 147 V HN 0.872 nan 8.190 nan 0.000 0.433 148 E N 1.971 122.140 120.200 -0.051 0.000 2.271 148 E HA -0.213 4.136 4.350 -0.001 0.000 0.223 148 E C 0.988 177.557 176.600 -0.052 0.000 1.223 148 E CA 1.032 57.402 56.400 -0.050 0.000 0.704 148 E CB -1.453 28.216 29.700 -0.053 0.000 1.194 148 E HN 1.767 nan 8.360 nan 0.000 0.375 149 G N -1.020 107.751 108.800 -0.048 0.000 2.249 149 G HA2 -0.107 3.853 3.960 -0.001 0.000 0.273 149 G HA3 -0.107 3.853 3.960 -0.001 0.000 0.273 149 G C 1.083 175.954 174.900 -0.049 0.000 1.036 149 G CA 1.239 46.310 45.100 -0.048 0.000 0.824 149 G HN 1.618 nan 8.290 nan 0.000 0.504 150 G N -1.171 107.599 108.800 -0.049 0.000 2.199 150 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.254 150 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.254 150 G C 1.112 175.978 174.900 -0.057 0.000 0.982 150 G CA 1.170 46.244 45.100 -0.043 0.000 0.632 150 G HN 0.812 nan 8.290 nan 0.000 0.529 151 K N 0.272 120.630 120.400 -0.070 0.000 2.487 151 K HA 0.173 4.493 4.320 -0.001 0.000 0.192 151 K C 0.942 177.485 176.600 -0.096 0.000 1.027 151 K CA 0.433 56.669 56.287 -0.085 0.000 1.054 151 K CB 0.441 32.891 32.500 -0.084 0.000 0.824 151 K HN 0.644 nan 8.250 nan 0.000 0.510 152 Q N -0.096 119.645 119.800 -0.099 0.000 2.304 152 Q HA 0.498 4.838 4.340 -0.001 0.000 0.270 152 Q C -1.756 174.162 176.000 -0.137 0.000 1.035 152 Q CA -0.437 55.301 55.803 -0.108 0.000 0.781 152 Q CB 2.107 30.796 28.738 -0.081 0.000 1.261 152 Q HN 0.083 nan 8.270 nan 0.000 0.444 153 A N 3.496 126.202 122.820 -0.190 0.000 2.273 153 A HA 0.599 4.919 4.320 -0.001 0.000 0.315 153 A C -0.971 176.552 177.584 -0.101 0.000 1.256 153 A CA -0.489 51.413 52.037 -0.224 0.000 0.851 153 A CB 1.032 19.666 19.000 -0.611 0.000 1.172 153 A HN 0.486 nan 8.150 nan 0.000 0.508 154 V N 4.045 123.909 119.914 -0.084 0.000 2.328 154 V HA 0.304 4.424 4.120 -0.001 0.000 0.278 154 V C -0.174 175.877 176.094 -0.072 0.000 1.021 154 V CA -0.433 61.821 62.300 -0.078 0.000 0.838 154 V CB 1.087 32.861 31.823 -0.081 0.000 0.999 154 V HN 0.593 nan 8.190 nan 0.000 0.447 155 V N 4.399 124.286 119.914 -0.044 0.000 2.370 155 V HA 0.414 4.534 4.120 -0.001 0.000 0.279 155 V C 0.464 176.485 176.094 -0.121 0.000 1.029 155 V CA -0.270 61.978 62.300 -0.087 0.000 0.870 155 V CB 1.659 33.546 31.823 0.107 0.000 0.984 155 V HN 0.891 nan 8.190 nan 0.000 0.451 156 T N 5.556 119.956 114.554 -0.257 0.000 2.875 156 T HA 0.715 5.065 4.350 -0.001 0.000 0.284 156 T C -0.660 173.871 174.700 -0.282 0.000 0.995 156 T CA -0.071 61.946 62.100 -0.139 0.000 1.060 156 T CB 0.855 69.657 68.868 -0.110 0.000 0.967 156 T HN 0.302 nan 8.240 nan 0.000 0.476 157 F N 0.561 120.539 119.950 0.047 0.000 2.561 157 F HA 0.380 4.907 4.527 -0.001 0.000 0.321 157 F C 1.522 177.375 175.800 0.089 0.000 1.065 157 F CA -1.122 56.943 58.000 0.108 0.000 0.934 157 F CB 1.862 41.053 39.000 0.318 0.000 1.215 157 F HN 0.610 nan 8.300 nan 0.000 0.471 158 S N -0.197 115.640 115.700 0.228 0.000 2.527 158 S HA 0.110 4.580 4.470 -0.001 0.000 0.222 158 S C -0.001 174.675 174.600 0.125 0.000 0.985 158 S CA 0.192 58.475 58.200 0.138 0.000 0.921 158 S CB -0.515 62.737 63.200 0.087 0.000 0.772 158 S HN 0.731 nan 8.310 nan 0.000 0.529 159 Q N -0.992 118.896 119.800 0.147 0.000 2.630 159 Q HA 0.571 4.911 4.340 -0.001 0.000 0.295 159 Q C -3.556 172.350 176.000 -0.156 0.000 0.944 159 Q CA -2.422 53.397 55.803 0.027 0.000 0.766 159 Q CB 0.325 29.067 28.738 0.007 0.000 1.471 159 Q HN -0.072 nan 8.270 nan 0.000 0.416 160 P HA 0.015 nan 4.420 nan 0.000 0.268 160 P C -1.685 175.196 177.300 -0.698 0.000 1.204 160 P CA 0.296 62.827 63.100 -0.949 0.000 0.768 160 P CB 0.023 31.411 31.700 -0.519 0.000 0.842 161 Y N 5.720 125.290 120.300 -1.218 0.000 2.535 161 Y HA 0.354 4.904 4.550 -0.000 0.000 0.341 161 Y C -2.111 173.648 175.900 -0.234 0.000 1.041 161 Y CA -2.890 54.900 58.100 -0.517 0.000 1.307 161 Y CB 1.078 39.327 38.460 -0.352 0.000 1.095 161 Y HN 0.329 nan 8.280 nan 0.000 0.534 162 P HA -0.124 nan 4.420 nan 0.000 0.218 162 P C 0.751 177.781 177.300 -0.449 0.000 1.146 162 P CA 1.894 64.845 63.100 -0.249 0.000 0.813 162 P CB 0.317 31.885 31.700 -0.221 0.000 0.778 163 A N -0.606 121.667 122.820 -0.912 0.000 2.411 163 A HA 0.029 4.348 4.320 -0.001 0.000 0.251 163 A C 1.509 178.616 177.584 -0.795 0.000 1.317 163 A CA -0.602 50.915 52.037 -0.867 0.000 0.904 163 A CB -1.543 17.017 19.000 -0.734 0.000 0.993 163 A HN 0.364 nan 8.150 nan 0.000 0.504 164 W N 0.044 121.004 121.300 -0.566 0.000 2.387 164 W HA -0.167 4.493 4.660 -0.001 0.000 0.272 164 W C 0.989 177.451 176.519 -0.094 0.000 1.224 164 W CA 0.715 58.005 57.345 -0.092 0.000 1.210 164 W CB -0.616 28.870 29.460 0.042 0.000 1.125 164 W HN 0.362 nan 8.180 nan 0.000 0.572 165 R N 1.057 120.916 120.500 -1.069 0.000 2.285 165 R HA -0.068 4.271 4.340 -0.001 0.000 0.213 165 R C 1.733 177.582 176.300 -0.753 0.000 1.068 165 R CA 1.259 56.563 56.100 -1.327 0.000 1.004 165 R CB -0.167 29.029 30.300 -1.839 0.000 0.873 165 R HN 0.352 nan 8.270 nan 0.000 0.467 166 E N 0.109 119.896 120.200 -0.688 0.000 2.474 166 E HA 0.058 4.407 4.350 -0.001 0.000 0.194 166 E C -0.061 176.359 176.600 -0.298 0.000 1.041 166 E CA 0.012 55.951 56.400 -0.767 0.000 0.874 166 E CB 0.333 29.557 29.700 -0.793 0.000 0.914 166 E HN 0.242 nan 8.360 nan 0.000 0.498 167 L N 0.390 121.551 121.223 -0.104 0.000 2.399 167 L HA 0.232 4.572 4.340 -0.001 0.000 0.266 167 L C 0.002 176.957 176.870 0.142 0.000 1.114 167 L CA -0.444 54.283 54.840 -0.188 0.000 0.804 167 L CB 0.171 42.055 42.059 -0.292 0.000 1.146 167 L HN 0.149 nan 8.230 nan 0.000 0.451 168 F N 0.277 120.369 119.950 0.236 0.000 3.074 168 F HA -0.271 4.255 4.527 -0.001 0.000 0.287 168 F C 0.252 176.116 175.800 0.107 0.000 0.932 168 F CA 0.036 58.079 58.000 0.071 0.000 0.995 168 F CB -1.761 37.091 39.000 -0.247 0.000 0.966 168 F HN 0.578 nan 8.300 nan 0.000 0.721 169 N N 0.700 119.600 118.700 0.332 0.000 2.404 169 N HA 0.312 5.051 4.740 -0.001 0.000 0.297 169 N C -0.054 175.674 175.510 0.363 0.000 1.163 169 N CA -0.552 52.697 53.050 0.332 0.000 0.864 169 N CB 0.871 39.555 38.487 0.329 0.000 1.247 169 N HN 0.087 nan 8.380 nan 0.000 0.510 170 D N 0.406 120.984 120.400 0.296 0.000 2.697 170 D HA -0.174 4.466 4.640 -0.001 0.000 0.238 170 D C -0.188 176.366 176.300 0.424 0.000 1.152 170 D CA 0.680 54.840 54.000 0.266 0.000 0.666 170 D CB -1.195 39.642 40.800 0.061 0.000 1.037 170 D HN 0.448 nan 8.370 nan 0.000 0.423 171 I N 0.201 121.004 120.570 0.388 0.000 2.634 171 I HA 0.054 4.224 4.170 -0.001 0.000 0.284 171 I C 1.229 177.685 176.117 0.564 0.000 1.124 171 I CA -0.105 61.453 61.300 0.430 0.000 1.417 171 I CB 0.512 38.699 38.000 0.310 0.000 1.396 171 I HN -0.038 nan 8.210 nan 0.000 0.571 172 L N 7.390 128.892 121.223 0.465 0.000 2.331 172 L HA 0.467 4.807 4.340 -0.001 0.000 0.275 172 L C -2.241 174.543 176.870 -0.143 0.000 1.022 172 L CA -2.011 52.966 54.840 0.228 0.000 0.812 172 L CB 1.321 43.536 42.059 0.260 0.000 1.257 172 L HN 0.356 nan 8.230 nan 0.000 0.435 173 P HA 0.046 nan 4.420 nan 0.000 0.269 173 P C 0.257 177.147 177.300 -0.683 0.000 1.263 173 P CA -0.067 62.251 63.100 -1.304 0.000 0.813 173 P CB 1.217 31.948 31.700 -1.616 0.000 0.868 174 A N 4.993 127.569 122.820 -0.407 0.000 1.892 174 A HA -0.238 4.082 4.320 -0.001 0.000 0.218 174 A C 1.974 179.245 177.584 -0.520 0.000 1.188 174 A CA 1.773 53.425 52.037 -0.641 0.000 0.631 174 A CB -1.682 17.198 19.000 -0.199 0.000 0.822 174 A HN 0.716 nan 8.150 nan 0.000 0.447 175 H N -1.377 117.487 119.070 -0.343 0.000 2.521 175 H HA 0.041 4.596 4.556 -0.001 0.000 0.286 175 H C 1.589 176.788 175.328 -0.215 0.000 1.034 175 H CA 1.231 57.145 56.048 -0.224 0.000 1.278 175 H CB -0.363 29.312 29.762 -0.144 0.000 1.386 175 H HN 0.417 nan 8.280 nan 0.000 0.567 176 I N 0.781 120.893 120.570 -0.763 0.000 2.681 176 I HA -0.099 4.070 4.170 -0.001 0.000 0.247 176 I C 2.672 178.600 176.117 -0.314 0.000 1.091 176 I CA 0.370 61.336 61.300 -0.557 0.000 1.442 176 I CB -0.764 36.839 38.000 -0.661 0.000 1.219 176 I HN 0.078 nan 8.210 nan 0.000 0.451 177 V N 1.624 121.349 119.914 -0.314 0.000 2.392 177 V HA -0.275 3.845 4.120 -0.001 0.000 0.249 177 V C 2.575 178.649 176.094 -0.032 0.000 1.059 177 V CA 1.680 63.910 62.300 -0.118 0.000 1.051 177 V CB -0.888 30.944 31.823 0.015 0.000 0.658 177 V HN 0.419 nan 8.190 nan 0.000 0.455 178 K N -0.183 120.137 120.400 -0.134 0.000 2.074 178 K HA -0.258 4.062 4.320 -0.001 0.000 0.209 178 K C 1.514 178.119 176.600 0.009 0.000 1.048 178 K CA 2.107 58.387 56.287 -0.011 0.000 0.926 178 K CB -0.104 32.351 32.500 -0.074 0.000 0.713 178 K HN 0.469 nan 8.250 nan 0.000 0.444 179 D N 0.212 120.590 120.400 -0.038 0.000 2.392 179 D HA 0.078 4.717 4.640 -0.001 0.000 0.206 179 D C 0.674 176.962 176.300 -0.019 0.000 1.046 179 D CA 0.017 54.004 54.000 -0.021 0.000 0.865 179 D CB 0.091 40.873 40.800 -0.031 0.000 0.969 179 D HN 0.359 nan 8.370 nan 0.000 0.509 180 I N -0.328 120.223 120.570 -0.030 0.000 2.754 180 I HA 0.258 4.428 4.170 -0.001 0.000 0.285 180 I C -2.279 173.838 176.117 0.001 0.000 1.166 180 I CA -1.767 59.520 61.300 -0.023 0.000 1.417 180 I CB -0.023 37.954 38.000 -0.037 0.000 1.382 180 I HN -0.342 nan 8.210 nan 0.000 0.588 181 P HA 0.149 nan 4.420 nan 0.000 0.263 181 P C 0.771 178.080 177.300 0.015 0.000 1.195 181 P CA 0.866 63.971 63.100 0.009 0.000 0.762 181 P CB 0.847 32.551 31.700 0.006 0.000 0.799 182 G N 2.292 111.106 108.800 0.023 0.000 2.254 182 G HA2 -0.046 3.913 3.960 -0.001 0.000 0.225 182 G HA3 -0.046 3.913 3.960 -0.001 0.000 0.225 182 G C 0.714 175.643 174.900 0.049 0.000 1.003 182 G CA 0.172 45.289 45.100 0.029 0.000 0.622 182 G HN 0.957 nan 8.290 nan 0.000 0.507 183 G N -0.305 108.530 108.800 0.058 0.000 2.582 183 G HA2 -0.120 3.840 3.960 -0.001 0.000 0.288 183 G HA3 -0.120 3.840 3.960 -0.001 0.000 0.288 183 G C 0.808 175.798 174.900 0.149 0.000 1.247 183 G CA 0.977 46.144 45.100 0.111 0.000 0.972 183 G HN 1.427 nan 8.290 nan 0.000 0.557 184 F N 2.359 122.340 119.950 0.050 0.000 2.134 184 F HA 0.134 4.660 4.527 -0.001 0.000 0.299 184 F C 2.702 178.510 175.800 0.014 0.000 1.097 184 F CA 2.949 60.974 58.000 0.041 0.000 1.264 184 F CB -0.566 38.424 39.000 -0.016 0.000 1.001 184 F HN 0.568 nan 8.300 nan 0.000 0.479 185 G N -1.246 107.639 108.800 0.141 0.000 2.421 185 G HA2 0.058 4.017 3.960 -0.001 0.000 0.217 185 G HA3 0.058 4.017 3.960 -0.001 0.000 0.217 185 G C 1.307 176.202 174.900 -0.009 0.000 1.143 185 G CA 0.673 45.806 45.100 0.054 0.000 0.784 185 G HN 0.567 nan 8.290 nan 0.000 0.541 186 A N -0.910 121.910 122.820 0.001 0.000 2.591 186 A HA 0.512 4.832 4.320 -0.001 0.000 0.204 186 A C 2.169 179.752 177.584 -0.002 0.000 1.410 186 A CA 1.138 53.174 52.037 -0.002 0.000 1.065 186 A CB -0.185 18.823 19.000 0.014 0.000 1.362 186 A HN 0.366 nan 8.150 nan 0.000 0.566 187 G N 0.332 109.132 108.800 0.000 0.000 2.448 187 G HA2 -0.023 3.937 3.960 -0.001 0.000 0.219 187 G HA3 -0.023 3.937 3.960 -0.001 0.000 0.219 187 G C 1.087 175.988 174.900 0.003 0.000 1.127 187 G CA 1.088 46.190 45.100 0.004 0.000 0.766 187 G HN 0.411 nan 8.290 nan 0.000 0.552 188 L N 0.694 121.914 121.223 -0.007 0.000 2.741 188 L HA 0.350 4.690 4.340 -0.001 0.000 0.237 188 L C 2.636 179.574 176.870 0.113 0.000 1.178 188 L CA 0.033 54.894 54.840 0.036 0.000 0.973 188 L CB 0.358 42.420 42.059 0.005 0.000 1.255 188 L HN 0.215 nan 8.230 nan 0.000 0.498 189 A N 0.457 123.315 122.820 0.063 0.000 1.902 189 A HA -0.060 4.259 4.320 -0.001 0.000 0.217 189 A C 1.993 179.681 177.584 0.174 0.000 1.181 189 A CA 1.300 53.370 52.037 0.055 0.000 0.623 189 A CB -0.003 19.005 19.000 0.012 0.000 0.818 189 A HN 0.316 nan 8.150 nan 0.000 0.443 190 R N -1.718 118.883 120.500 0.168 0.000 2.592 190 R HA 0.526 4.866 4.340 -0.001 0.000 0.439 190 R C -0.743 175.604 176.300 0.079 0.000 0.995 190 R CA 0.725 56.928 56.100 0.173 0.000 1.141 190 R CB 0.213 30.570 30.300 0.095 0.000 1.495 190 R HN 0.437 nan 8.270 nan 0.000 0.579 191 A N 0.597 123.452 122.820 0.058 0.000 2.547 191 A HA 0.741 5.060 4.320 -0.001 0.000 0.297 191 A C -0.711 176.837 177.584 -0.061 0.000 1.056 191 A CA -0.463 51.558 52.037 -0.028 0.000 0.688 191 A CB 1.573 20.565 19.000 -0.013 0.000 1.282 191 A HN 0.065 nan 8.150 nan 0.000 0.400 192 M N 3.688 123.222 119.600 -0.110 0.000 2.850 192 M HA 0.218 4.698 4.480 -0.001 0.000 0.288 192 M C -2.034 174.227 176.300 -0.065 0.000 1.450 192 M CA -1.388 53.853 55.300 -0.097 0.000 0.555 192 M CB 1.005 33.508 32.600 -0.160 0.000 1.507 192 M HN 0.608 nan 8.290 nan 0.000 0.415 193 P HA 0.015 nan 4.420 nan 0.000 0.219 193 P C 0.310 177.602 177.300 -0.013 0.000 1.150 193 P CA 0.818 63.896 63.100 -0.036 0.000 0.814 193 P CB 0.822 32.494 31.700 -0.046 0.000 0.787 194 V N 0.643 120.538 119.914 -0.031 0.000 2.483 194 V HA 0.371 4.491 4.120 -0.001 0.000 0.297 194 V C 0.314 176.462 176.094 0.089 0.000 1.027 194 V CA -0.324 61.987 62.300 0.018 0.000 0.855 194 V CB 1.757 33.532 31.823 -0.079 0.000 0.995 194 V HN 0.225 nan 8.190 nan 0.000 0.424 195 T N 0.670 115.378 114.554 0.256 0.000 2.742 195 T HA 0.833 5.182 4.350 -0.001 0.000 0.282 195 T C 0.158 175.229 174.700 0.618 0.000 1.025 195 T CA -0.332 62.008 62.100 0.399 0.000 1.020 195 T CB 2.273 71.274 68.868 0.223 0.000 1.317 195 T HN 0.967 nan 8.240 nan 0.000 0.538 196 G N -0.800 108.295 108.800 0.492 0.000 4.677 196 G HA2 0.593 4.553 3.960 -0.001 0.000 0.225 196 G HA3 0.593 4.553 3.960 -0.001 0.000 0.225 196 G C -0.141 174.942 174.900 0.305 0.000 0.876 196 G CA -0.009 45.299 45.100 0.346 0.000 0.652 196 G HN 1.087 nan 8.290 nan 0.000 0.481 197 G N -0.923 107.962 108.800 0.142 0.000 2.827 197 G HA2 0.425 4.385 3.960 -0.001 0.000 0.296 197 G HA3 0.425 4.385 3.960 -0.001 0.000 0.296 197 G C 0.414 174.878 174.900 -0.727 0.000 1.362 197 G CA -0.240 44.760 45.100 -0.166 0.000 0.809 197 G HN 0.153 nan 8.290 nan 0.000 0.522 198 Q N -1.426 117.604 119.800 -1.283 0.000 2.112 198 Q HA -0.034 4.306 4.340 -0.001 0.000 0.206 198 Q C -0.063 175.341 176.000 -0.992 0.000 0.987 198 Q CA 1.343 56.129 55.803 -1.695 0.000 0.858 198 Q CB -0.100 27.919 28.738 -1.198 0.000 0.905 198 Q HN 0.400 nan 8.270 nan 0.000 0.420 199 F N -0.408 119.303 119.950 -0.399 0.000 2.483 199 F HA 0.398 4.925 4.527 -0.001 0.000 0.329 199 F C 0.154 175.880 175.800 -0.123 0.000 1.064 199 F CA -1.040 56.835 58.000 -0.207 0.000 0.986 199 F CB 1.286 40.197 39.000 -0.148 0.000 1.218 199 F HN -0.059 nan 8.300 nan 0.000 0.484 200 R N -0.338 120.248 120.500 0.142 0.000 2.892 200 R HA 0.838 5.178 4.340 -0.001 0.000 0.265 200 R C -2.044 174.297 176.300 0.068 0.000 1.025 200 R CA -1.022 55.134 56.100 0.093 0.000 0.982 200 R CB 1.252 31.600 30.300 0.081 0.000 1.185 200 R HN 0.351 nan 8.270 nan 0.000 0.484 201 V N 2.187 122.110 119.914 0.015 0.000 2.368 201 V HA 0.070 4.189 4.120 -0.001 0.000 0.266 201 V C 0.878 176.959 176.094 -0.022 0.000 1.045 201 V CA -0.144 62.131 62.300 -0.042 0.000 0.899 201 V CB 0.668 32.413 31.823 -0.130 0.000 1.006 201 V HN 0.978 nan 8.190 nan 0.000 0.470 202 E N 4.070 124.266 120.200 -0.007 0.000 2.042 202 E HA -0.011 4.338 4.350 -0.001 0.000 0.189 202 E C 0.822 177.414 176.600 -0.014 0.000 0.974 202 E CA 1.251 57.653 56.400 0.004 0.000 0.806 202 E CB 0.306 30.020 29.700 0.023 0.000 0.769 202 E HN 0.832 nan 8.360 nan 0.000 0.451 203 T N -1.633 112.906 114.554 -0.026 0.000 2.916 203 T HA 0.622 4.972 4.350 -0.001 0.000 0.305 203 T C -0.374 174.290 174.700 -0.061 0.000 1.119 203 T CA -0.775 61.306 62.100 -0.032 0.000 1.008 203 T CB 1.228 70.092 68.868 -0.007 0.000 1.129 203 T HN 0.072 nan 8.240 nan 0.000 0.480 204 I N 2.245 122.773 120.570 -0.069 0.000 2.411 204 I HA 0.369 4.539 4.170 -0.001 0.000 0.284 204 I C -0.849 175.267 176.117 -0.002 0.000 1.012 204 I CA -0.570 60.689 61.300 -0.068 0.000 1.119 204 I CB 1.550 39.465 38.000 -0.141 0.000 1.261 204 I HN 0.669 nan 8.210 nan 0.000 0.448 205 D N 9.058 129.472 120.400 0.023 0.000 2.461 205 D HA 0.315 4.955 4.640 -0.001 0.000 0.240 205 D C -1.989 174.340 176.300 0.048 0.000 1.094 205 D CA -2.118 51.901 54.000 0.032 0.000 0.868 205 D CB 2.206 43.023 40.800 0.029 0.000 1.062 205 D HN 0.142 nan 8.370 nan 0.000 0.530 206 P HA -0.069 nan 4.420 nan 0.000 0.219 206 P C 1.159 178.482 177.300 0.038 0.000 1.150 206 P CA 1.032 64.162 63.100 0.050 0.000 0.814 206 P CB 0.536 32.263 31.700 0.045 0.000 0.787 207 Q N -0.266 119.553 119.800 0.031 0.000 2.046 207 Q HA -0.060 4.279 4.340 -0.001 0.000 0.200 207 Q C 2.177 178.193 176.000 0.027 0.000 0.975 207 Q CA 1.205 57.023 55.803 0.026 0.000 0.836 207 Q CB -0.378 28.373 28.738 0.021 0.000 0.896 207 Q HN 0.258 nan 8.270 nan 0.000 0.428 208 R N 0.523 121.041 120.500 0.030 0.000 2.275 208 R HA -0.022 4.318 4.340 -0.001 0.000 0.199 208 R C -0.270 176.055 176.300 0.040 0.000 0.989 208 R CA 0.217 56.336 56.100 0.031 0.000 1.016 208 R CB 0.248 30.566 30.300 0.030 0.000 0.918 208 R HN 0.185 nan 8.270 nan 0.000 0.473 209 D N 1.779 122.207 120.400 0.047 0.000 2.705 209 D HA -0.149 4.491 4.640 -0.001 0.000 0.240 209 D C -0.926 175.420 176.300 0.077 0.000 1.137 209 D CA 1.275 55.312 54.000 0.061 0.000 0.677 209 D CB -0.759 40.074 40.800 0.055 0.000 1.049 209 D HN 0.434 nan 8.370 nan 0.000 0.427 210 E N -0.284 119.960 120.200 0.075 0.000 2.266 210 E HA 0.656 5.005 4.350 -0.001 0.000 0.268 210 E C 0.080 176.728 176.600 0.081 0.000 0.879 210 E CA -0.796 55.656 56.400 0.086 0.000 0.762 210 E CB 1.976 31.714 29.700 0.063 0.000 1.199 210 E HN 0.093 nan 8.360 nan 0.000 0.422 211 I N 2.983 123.623 120.570 0.117 0.000 2.439 211 I HA 0.210 4.380 4.170 -0.001 0.000 0.285 211 I C -1.176 175.022 176.117 0.135 0.000 1.021 211 I CA -0.813 60.523 61.300 0.059 0.000 1.091 211 I CB 1.313 39.284 38.000 -0.050 0.000 1.242 211 I HN 0.225 nan 8.210 nan 0.000 0.439 212 L N 8.089 129.348 121.223 0.060 0.000 2.265 212 L HA 0.542 4.882 4.340 -0.001 0.000 0.289 212 L C -0.930 175.971 176.870 0.053 0.000 1.033 212 L CA -0.066 54.815 54.840 0.069 0.000 0.814 212 L CB 0.749 42.832 42.059 0.040 0.000 1.203 212 L HN 0.441 nan 8.230 nan 0.000 0.423 213 L N 5.255 126.526 121.223 0.080 0.000 2.309 213 L HA 0.806 5.145 4.340 -0.001 0.000 0.282 213 L C 0.042 176.989 176.870 0.128 0.000 1.036 213 L CA -0.630 54.253 54.840 0.071 0.000 0.806 213 L CB 1.579 43.638 42.059 -0.001 0.000 1.220 213 L HN 0.773 nan 8.230 nan 0.000 0.429 214 A N 3.295 126.214 122.820 0.166 0.000 2.356 214 A HA 0.588 4.908 4.320 -0.001 0.000 0.323 214 A C -0.355 177.356 177.584 0.211 0.000 1.119 214 A CA -0.763 51.378 52.037 0.173 0.000 0.790 214 A CB 1.262 20.317 19.000 0.092 0.000 1.273 214 A HN 0.835 nan 8.150 nan 0.000 0.452 215 R N 1.421 121.987 120.500 0.110 0.000 2.538 215 R HA -0.020 4.319 4.340 -0.001 0.000 0.282 215 R C -0.454 175.804 176.300 -0.070 0.000 1.009 215 R CA -0.015 56.014 56.100 -0.119 0.000 1.063 215 R CB 0.199 30.409 30.300 -0.151 0.000 0.945 215 R HN 0.684 nan 8.270 nan 0.000 0.414 216 N N 3.424 122.046 118.700 -0.131 0.000 2.399 216 N HA -0.025 4.715 4.740 -0.001 0.000 0.259 216 N C -0.425 175.102 175.510 0.029 0.000 1.160 216 N CA -0.084 52.952 53.050 -0.022 0.000 0.946 216 N CB 0.962 39.435 38.487 -0.024 0.000 1.156 216 N HN 0.557 nan 8.380 nan 0.000 0.489 217 D N 2.716 123.145 120.400 0.048 0.000 2.310 217 D HA -0.052 4.588 4.640 -0.001 0.000 0.212 217 D C 0.735 177.092 176.300 0.095 0.000 0.965 217 D CA 0.903 54.938 54.000 0.058 0.000 0.879 217 D CB 0.236 41.063 40.800 0.045 0.000 0.921 217 D HN 0.573 nan 8.370 nan 0.000 0.510 218 R N -0.467 120.113 120.500 0.134 0.000 2.388 218 R HA 0.112 4.452 4.340 -0.001 0.000 0.247 218 R C 0.214 176.681 176.300 0.279 0.000 0.931 218 R CA -0.508 55.696 56.100 0.174 0.000 1.082 218 R CB 0.077 30.479 30.300 0.169 0.000 1.135 218 R HN -0.009 nan 8.270 nan 0.000 0.525 219 F N 0.840 120.815 119.950 0.042 0.000 2.459 219 F HA -0.017 4.510 4.527 -0.001 0.000 0.346 219 F C 0.771 176.571 175.800 0.000 0.000 1.128 219 F CA -1.345 56.619 58.000 -0.060 0.000 1.268 219 F CB 0.465 39.299 39.000 -0.276 0.000 1.161 219 F HN 0.115 nan 8.300 nan 0.000 0.583 220 W N 2.992 123.864 121.300 -0.713 0.000 3.220 220 W HA 0.491 5.151 4.660 -0.001 0.000 0.328 220 W C 0.145 176.280 176.519 -0.641 0.000 1.205 220 W CA 0.160 57.191 57.345 -0.523 0.000 1.773 220 W CB -0.565 28.683 29.460 -0.353 0.000 1.086 220 W HN 0.427 nan 8.180 nan 0.000 0.622 221 S N -0.183 114.622 115.700 -1.491 0.000 2.998 221 S HA 0.534 5.003 4.470 -0.001 0.000 0.307 221 S C -0.263 174.093 174.600 -0.406 0.000 1.063 221 S CA -0.585 57.089 58.200 -0.876 0.000 0.895 221 S CB 0.361 62.993 63.200 -0.947 0.000 1.362 221 S HN -0.126 nan 8.310 nan 0.000 0.657 222 V N 3.800 123.624 119.914 -0.150 0.000 2.539 222 V HA 0.172 4.292 4.120 -0.001 0.000 0.300 222 V C -2.188 173.952 176.094 0.078 0.000 1.019 222 V CA -0.571 61.717 62.300 -0.019 0.000 1.160 222 V CB -0.467 31.349 31.823 -0.011 0.000 0.901 222 V HN 0.601 nan 8.190 nan 0.000 0.481 223 P HA 0.305 nan 4.420 nan 0.000 0.271 223 P C -0.248 176.976 177.300 -0.126 0.000 1.218 223 P CA -0.191 62.899 63.100 -0.017 0.000 0.780 223 P CB 0.609 32.293 31.700 -0.027 0.000 0.901 224 A N 2.861 125.498 122.820 -0.304 0.000 2.462 224 A HA 0.062 4.381 4.320 -0.001 0.000 0.243 224 A C 1.270 178.754 177.584 -0.165 0.000 1.076 224 A CA 0.162 51.978 52.037 -0.369 0.000 0.773 224 A CB 0.035 18.479 19.000 -0.927 0.000 1.010 224 A HN 0.440 nan 8.150 nan 0.000 0.493 225 K N 1.363 121.728 120.400 -0.059 0.000 2.025 225 K HA 0.014 4.334 4.320 -0.001 0.000 0.207 225 K C -1.591 175.036 176.600 0.045 0.000 1.049 225 K CA 1.452 57.745 56.287 0.010 0.000 0.933 225 K CB -0.947 31.583 32.500 0.050 0.000 0.714 225 K HN 0.660 nan 8.250 nan 0.000 0.438 226 P HA 0.046 nan 4.420 nan 0.000 0.275 226 P C -0.514 176.864 177.300 0.129 0.000 1.227 226 P CA 0.219 63.405 63.100 0.144 0.000 0.781 226 P CB 1.026 32.859 31.700 0.223 0.000 0.906 227 D N 1.173 121.630 120.400 0.095 0.000 2.123 227 D HA 0.020 4.660 4.640 -0.001 0.000 0.200 227 D C 0.658 177.032 176.300 0.123 0.000 0.976 227 D CA 1.417 55.464 54.000 0.078 0.000 0.831 227 D CB 0.244 41.075 40.800 0.051 0.000 0.974 227 D HN 0.333 nan 8.370 nan 0.000 0.469 228 L N 0.221 121.517 121.223 0.122 0.000 2.409 228 L HA 0.450 4.790 4.340 -0.001 0.000 0.262 228 L C -0.952 175.957 176.870 0.065 0.000 0.992 228 L CA -0.839 54.063 54.840 0.105 0.000 0.817 228 L CB 3.260 45.354 42.059 0.058 0.000 1.350 228 L HN -0.372 nan 8.230 nan 0.000 0.411 229 V N 3.163 123.073 119.914 -0.007 0.000 2.443 229 V HA 0.379 4.499 4.120 -0.001 0.000 0.293 229 V C -0.703 175.312 176.094 -0.132 0.000 1.021 229 V CA -0.432 61.780 62.300 -0.148 0.000 0.848 229 V CB 2.080 33.682 31.823 -0.367 0.000 0.998 229 V HN 0.465 nan 8.190 nan 0.000 0.424 230 L N 6.059 127.186 121.223 -0.160 0.000 2.265 230 L HA 0.672 5.011 4.340 -0.001 0.000 0.289 230 L C -0.941 175.819 176.870 -0.183 0.000 1.033 230 L CA 0.208 55.003 54.840 -0.074 0.000 0.814 230 L CB 0.672 42.714 42.059 -0.028 0.000 1.203 230 L HN 0.432 nan 8.230 nan 0.000 0.423 231 F N 5.278 125.220 119.950 -0.014 0.000 2.411 231 F HA 0.646 5.173 4.527 -0.000 0.000 0.350 231 F C 0.504 176.311 175.800 0.012 0.000 1.114 231 F CA -0.294 57.709 58.000 0.004 0.000 1.135 231 F CB 0.831 39.834 39.000 0.005 0.000 1.120 231 F HN 0.513 nan 8.300 nan 0.000 0.495 232 R N 1.606 122.194 120.500 0.147 0.000 2.740 232 R HA 0.531 4.870 4.340 -0.001 0.000 0.273 232 R C -0.819 175.531 176.300 0.083 0.000 0.998 232 R CA -1.267 54.892 56.100 0.098 0.000 0.900 232 R CB 1.300 31.631 30.300 0.052 0.000 1.223 232 R HN 0.583 nan 8.270 nan 0.000 0.466 233 R N 0.837 121.379 120.500 0.070 0.000 2.485 233 R HA -0.058 4.282 4.340 -0.001 0.000 0.304 233 R C 0.827 177.152 176.300 0.043 0.000 0.934 233 R CA 1.223 57.357 56.100 0.057 0.000 1.102 233 R CB 0.314 30.642 30.300 0.046 0.000 0.906 233 R HN 0.940 nan 8.270 nan 0.000 0.407 234 G N 2.940 111.766 108.800 0.043 0.000 2.421 234 G HA2 0.127 4.087 3.960 -0.001 0.000 0.217 234 G HA3 0.127 4.087 3.960 -0.001 0.000 0.217 234 G C 0.756 175.670 174.900 0.024 0.000 1.143 234 G CA 0.624 45.741 45.100 0.029 0.000 0.784 234 G HN 1.101 nan 8.290 nan 0.000 0.541 235 G N -0.532 108.286 108.800 0.029 0.000 2.584 235 G HA2 0.285 4.245 3.960 -0.001 0.000 0.229 235 G HA3 0.285 4.245 3.960 -0.001 0.000 0.229 235 G C 0.379 175.294 174.900 0.025 0.000 1.320 235 G CA -0.009 45.106 45.100 0.025 0.000 0.891 235 G HN 1.430 nan 8.290 nan 0.000 0.573 236 A N 0.570 123.402 122.820 0.020 0.000 2.483 236 A HA 0.616 4.935 4.320 -0.001 0.000 0.238 236 A C -0.170 177.424 177.584 0.018 0.000 1.070 236 A CA 0.519 52.568 52.037 0.020 0.000 0.770 236 A CB -0.127 18.883 19.000 0.016 0.000 1.008 236 A HN 0.568 nan 8.150 nan 0.000 0.497 237 P HA -0.273 nan 4.420 nan 0.000 0.217 237 P C 1.660 178.963 177.300 0.006 0.000 1.158 237 P CA 2.748 65.858 63.100 0.017 0.000 0.887 237 P CB 0.074 31.788 31.700 0.023 0.000 0.792 238 A N -0.625 122.198 122.820 0.005 0.000 1.933 238 A HA -0.102 4.217 4.320 -0.001 0.000 0.218 238 A C 2.300 179.881 177.584 -0.004 0.000 1.175 238 A CA 2.097 54.133 52.037 -0.001 0.000 0.628 238 A CB -1.493 17.507 19.000 0.001 0.000 0.814 238 A HN 0.222 nan 8.150 nan 0.000 0.444 239 A N -0.558 122.261 122.820 -0.001 0.000 1.872 239 A HA 0.057 4.377 4.320 -0.001 0.000 0.214 239 A C 2.104 179.684 177.584 -0.007 0.000 1.187 239 A CA 1.573 53.609 52.037 -0.002 0.000 0.614 239 A CB -0.605 18.397 19.000 0.003 0.000 0.826 239 A HN 0.651 nan 8.150 nan 0.000 0.442 240 L N 0.005 121.226 121.223 -0.005 0.000 2.017 240 L HA -0.073 4.267 4.340 -0.001 0.000 0.208 240 L C 2.662 179.519 176.870 -0.023 0.000 1.073 240 L CA 2.209 57.042 54.840 -0.011 0.000 0.745 240 L CB -0.910 41.147 42.059 -0.004 0.000 0.894 240 L HN 0.355 nan 8.230 nan 0.000 0.432 241 A N -0.762 122.044 122.820 -0.023 0.000 1.892 241 A HA -0.324 3.996 4.320 -0.001 0.000 0.218 241 A C 2.147 179.711 177.584 -0.033 0.000 1.188 241 A CA 2.218 54.235 52.037 -0.033 0.000 0.631 241 A CB -1.138 17.844 19.000 -0.029 0.000 0.822 241 A HN 0.566 nan 8.150 nan 0.000 0.447 242 D N -1.293 119.092 120.400 -0.025 0.000 2.144 242 D HA -0.081 4.559 4.640 -0.001 0.000 0.200 242 D C 2.202 178.486 176.300 -0.027 0.000 0.978 242 D CA 1.359 55.345 54.000 -0.024 0.000 0.833 242 D CB -0.050 40.739 40.800 -0.017 0.000 0.961 242 D HN 0.331 nan 8.370 nan 0.000 0.470 243 S N -1.016 114.668 115.700 -0.026 0.000 2.383 243 S HA -0.059 4.411 4.470 -0.001 0.000 0.227 243 S C 2.026 176.602 174.600 -0.040 0.000 1.026 243 S CA 0.691 58.874 58.200 -0.029 0.000 0.981 243 S CB -0.238 62.946 63.200 -0.025 0.000 0.818 243 S HN 0.274 nan 8.310 nan 0.000 0.472 244 I N 0.951 121.493 120.570 -0.047 0.000 2.202 244 I HA -0.122 4.048 4.170 -0.001 0.000 0.242 244 I C 2.726 178.809 176.117 -0.057 0.000 1.091 244 I CA 1.157 62.422 61.300 -0.060 0.000 1.368 244 I CB -0.363 37.596 38.000 -0.069 0.000 1.058 244 I HN 0.268 nan 8.210 nan 0.000 0.410 245 R N 1.151 121.622 120.500 -0.049 0.000 2.103 245 R HA -0.204 4.136 4.340 -0.001 0.000 0.242 245 R C 1.797 178.073 176.300 -0.040 0.000 1.142 245 R CA 1.869 57.942 56.100 -0.044 0.000 0.960 245 R CB -0.147 30.130 30.300 -0.038 0.000 0.858 245 R HN 0.371 nan 8.270 nan 0.000 0.439 246 N N -0.921 117.757 118.700 -0.036 0.000 2.463 246 N HA 0.013 4.753 4.740 -0.001 0.000 0.181 246 N C 0.914 176.403 175.510 -0.035 0.000 1.078 246 N CA 1.191 54.222 53.050 -0.032 0.000 0.902 246 N CB 0.793 39.264 38.487 -0.026 0.000 0.970 246 N HN 0.519 nan 8.380 nan 0.000 0.451 247 G N 0.775 109.550 108.800 -0.043 0.000 2.157 247 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.248 247 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.248 247 G C 0.548 175.420 174.900 -0.047 0.000 0.979 247 G CA 0.410 45.481 45.100 -0.049 0.000 0.650 247 G HN 0.264 nan 8.290 nan 0.000 0.529 248 D N 0.305 120.680 120.400 -0.042 0.000 2.183 248 D HA 0.038 4.678 4.640 -0.001 0.000 0.203 248 D C 1.137 177.408 176.300 -0.049 0.000 0.969 248 D CA 1.564 55.541 54.000 -0.038 0.000 0.842 248 D CB 0.039 40.821 40.800 -0.029 0.000 0.957 248 D HN 0.432 nan 8.370 nan 0.000 0.484 249 T N 0.888 115.408 114.554 -0.057 0.000 2.794 249 T HA 0.261 4.611 4.350 -0.001 0.000 0.280 249 T C 0.767 175.408 174.700 -0.098 0.000 0.987 249 T CA -0.486 61.570 62.100 -0.074 0.000 0.993 249 T CB 2.290 71.120 68.868 -0.064 0.000 0.939 249 T HN -0.210 nan 8.240 nan 0.000 0.449 250 Q N 1.425 121.148 119.800 -0.129 0.000 2.304 250 Q HA 0.275 4.614 4.340 -0.001 0.000 0.204 250 Q C 0.341 176.203 176.000 -0.230 0.000 0.936 250 Q CA 0.578 56.276 55.803 -0.174 0.000 0.878 250 Q CB 0.515 29.138 28.738 -0.192 0.000 0.983 250 Q HN 0.520 nan 8.270 nan 0.000 0.516 251 V N -0.394 119.378 119.914 -0.237 0.000 2.914 251 V HA 0.904 5.024 4.120 -0.001 0.000 0.314 251 V C -1.108 174.903 176.094 -0.138 0.000 1.084 251 V CA -0.964 61.184 62.300 -0.252 0.000 0.963 251 V CB 1.894 33.475 31.823 -0.403 0.000 1.025 251 V HN 0.104 nan 8.190 nan 0.000 0.432 252 A N 2.452 125.215 122.820 -0.094 0.000 2.520 252 A HA 0.835 5.154 4.320 -0.001 0.000 0.298 252 A C -1.083 176.497 177.584 -0.007 0.000 1.051 252 A CA -0.553 51.462 52.037 -0.037 0.000 0.690 252 A CB 2.034 21.011 19.000 -0.038 0.000 1.281 252 A HN 0.809 nan 8.150 nan 0.000 0.402 253 Q N 1.366 121.180 119.800 0.024 0.000 2.414 253 Q HA 0.584 4.923 4.340 -0.001 0.000 0.256 253 Q C -1.377 174.618 176.000 -0.009 0.000 0.974 253 Q CA -0.532 55.277 55.803 0.010 0.000 0.723 253 Q CB 1.525 30.284 28.738 0.036 0.000 1.281 253 Q HN 1.309 nan 8.270 nan 0.000 0.470 254 V N -0.284 119.607 119.914 -0.039 0.000 3.130 254 V HA 0.617 4.737 4.120 -0.001 0.000 0.310 254 V C -1.085 174.948 176.094 -0.102 0.000 1.158 254 V CA -0.991 61.297 62.300 -0.020 0.000 1.029 254 V CB 1.868 33.715 31.823 0.039 0.000 1.057 254 V HN 0.762 nan 8.190 nan 0.000 0.436 255 H N 0.555 119.644 119.070 0.032 0.000 2.525 255 H HA 0.845 5.401 4.556 -0.001 0.000 0.339 255 H C 0.574 175.929 175.328 0.045 0.000 1.109 255 H CA 1.195 57.265 56.048 0.037 0.000 1.352 255 H CB 1.499 31.282 29.762 0.034 0.000 1.461 255 H HN 1.334 nan 8.280 nan 0.000 0.533 256 G N 0.376 109.265 108.800 0.149 0.000 2.387 256 G HA2 0.458 4.417 3.960 -0.001 0.000 0.294 256 G HA3 0.458 4.417 3.960 -0.001 0.000 0.294 256 G C -0.416 174.544 174.900 0.101 0.000 1.509 256 G CA -0.334 44.835 45.100 0.116 0.000 0.806 256 G HN 0.824 nan 8.290 nan 0.000 0.546 257 G N -0.936 107.918 108.800 0.089 0.000 2.543 257 G HA2 0.646 4.606 3.960 -0.001 0.000 0.267 257 G HA3 0.646 4.606 3.960 -0.001 0.000 0.267 257 G C 1.446 176.400 174.900 0.091 0.000 1.406 257 G CA 0.606 45.749 45.100 0.071 0.000 1.048 257 G HN 1.586 nan 8.290 nan 0.000 0.548 258 A N -0.861 121.998 122.820 0.066 0.000 1.933 258 A HA 0.179 4.498 4.320 -0.001 0.000 0.218 258 A C 2.672 180.341 177.584 0.140 0.000 1.175 258 A CA 2.513 54.603 52.037 0.088 0.000 0.628 258 A CB -0.885 18.139 19.000 0.041 0.000 0.814 258 A HN 1.175 nan 8.150 nan 0.000 0.444 259 A N -0.961 121.916 122.820 0.095 0.000 1.858 259 A HA -0.081 4.239 4.320 -0.001 0.000 0.216 259 A C 2.318 179.952 177.584 0.083 0.000 1.190 259 A CA 2.279 54.363 52.037 0.078 0.000 0.617 259 A CB -1.350 17.681 19.000 0.052 0.000 0.827 259 A HN 0.409 nan 8.150 nan 0.000 0.443 260 T N -0.694 113.914 114.554 0.089 0.000 2.684 260 T HA -0.173 4.177 4.350 -0.001 0.000 0.267 260 T C 1.613 176.367 174.700 0.089 0.000 1.036 260 T CA 1.696 63.842 62.100 0.077 0.000 1.148 260 T CB -0.447 68.469 68.868 0.081 0.000 0.863 260 T HN 0.459 nan 8.240 nan 0.000 0.436 261 F N 2.091 122.041 119.950 0.001 0.000 2.095 261 F HA -0.101 4.425 4.527 -0.001 0.000 0.298 261 F C 2.440 178.236 175.800 -0.007 0.000 1.104 261 F CA 1.242 59.239 58.000 -0.005 0.000 1.232 261 F CB -0.589 38.409 39.000 -0.004 0.000 0.987 261 F HN 0.147 nan 8.300 nan 0.000 0.475 262 A N -0.416 122.465 122.820 0.103 0.000 1.930 262 A HA -0.229 4.091 4.320 -0.001 0.000 0.217 262 A C 2.216 179.758 177.584 -0.070 0.000 1.175 262 A CA 1.612 53.654 52.037 0.009 0.000 0.627 262 A CB -0.943 18.108 19.000 0.084 0.000 0.815 262 A HN 0.623 nan 8.150 nan 0.000 0.443 263 Q N -0.369 119.404 119.800 -0.045 0.000 2.079 263 Q HA -0.094 4.246 4.340 -0.001 0.000 0.200 263 Q C 1.955 177.898 176.000 -0.094 0.000 0.974 263 Q CA 1.412 57.184 55.803 -0.051 0.000 0.840 263 Q CB -0.200 28.524 28.738 -0.022 0.000 0.898 263 Q HN 0.681 nan 8.270 nan 0.000 0.430 264 L N 0.015 121.157 121.223 -0.135 0.000 2.093 264 L HA -0.116 4.223 4.340 -0.001 0.000 0.208 264 L C 2.434 179.173 176.870 -0.218 0.000 1.085 264 L CA 0.971 55.712 54.840 -0.164 0.000 0.755 264 L CB -0.258 41.698 42.059 -0.171 0.000 0.904 264 L HN 0.149 nan 8.230 nan 0.000 0.435 265 S N 0.096 115.600 115.700 -0.326 0.000 2.447 265 S HA -0.079 4.390 4.470 -0.001 0.000 0.233 265 S C 2.015 176.509 174.600 -0.177 0.000 1.006 265 S CA 1.009 59.014 58.200 -0.324 0.000 0.957 265 S CB -0.142 62.775 63.200 -0.472 0.000 0.773 265 S HN 0.480 nan 8.310 nan 0.000 0.507 266 A N 0.838 123.577 122.820 -0.134 0.000 2.169 266 A HA 0.281 4.600 4.320 -0.001 0.000 0.212 266 A C 0.770 178.311 177.584 -0.073 0.000 1.153 266 A CA 0.004 51.990 52.037 -0.084 0.000 0.756 266 A CB -0.383 18.580 19.000 -0.061 0.000 0.813 266 A HN 0.449 nan 8.150 nan 0.000 0.471 267 I N 1.668 122.188 120.570 -0.084 0.000 2.533 267 I HA 0.116 4.285 4.170 -0.001 0.000 0.284 267 I C -2.259 173.816 176.117 -0.069 0.000 1.109 267 I CA -1.780 59.477 61.300 -0.071 0.000 1.412 267 I CB 0.557 38.512 38.000 -0.075 0.000 1.396 267 I HN 0.017 nan 8.210 nan 0.000 0.543 268 P HA -0.054 nan 4.420 nan 0.000 0.260 268 P C -0.344 176.923 177.300 -0.056 0.000 1.172 268 P CA 0.469 63.539 63.100 -0.050 0.000 0.760 268 P CB 0.221 31.897 31.700 -0.041 0.000 0.773 269 D N -0.529 119.838 120.400 -0.055 0.000 3.041 269 D HA -0.129 4.511 4.640 -0.001 0.000 0.220 269 D C -0.375 175.883 176.300 -0.071 0.000 1.157 269 D CA 0.635 54.600 54.000 -0.057 0.000 0.876 269 D CB -1.598 39.172 40.800 -0.051 0.000 1.107 269 D HN 0.154 nan 8.370 nan 0.000 0.422 270 V N 0.899 120.764 119.914 -0.082 0.000 2.407 270 V HA 0.290 4.409 4.120 -0.001 0.000 0.278 270 V C 0.910 176.940 176.094 -0.106 0.000 1.037 270 V CA -0.405 61.835 62.300 -0.100 0.000 0.900 270 V CB 1.782 33.539 31.823 -0.110 0.000 0.983 270 V HN -0.025 nan 8.190 nan 0.000 0.459 271 R N 2.909 123.348 120.500 -0.102 0.000 2.312 271 R HA 0.661 5.001 4.340 -0.001 0.000 0.311 271 R C -0.110 176.130 176.300 -0.100 0.000 1.004 271 R CA -0.352 55.694 56.100 -0.089 0.000 0.902 271 R CB 1.636 31.894 30.300 -0.070 0.000 1.073 271 R HN 0.878 nan 8.270 nan 0.000 0.457 272 T N -1.107 113.388 114.554 -0.098 0.000 2.906 272 T HA 0.864 5.214 4.350 -0.001 0.000 0.295 272 T C -0.759 173.999 174.700 0.097 0.000 1.075 272 T CA -0.918 61.129 62.100 -0.089 0.000 1.005 272 T CB 2.264 70.903 68.868 -0.381 0.000 1.136 272 T HN 0.660 nan 8.240 nan 0.000 0.498 273 A N 1.264 124.223 122.820 0.231 0.000 2.610 273 A HA 0.837 5.156 4.320 -0.001 0.000 0.291 273 A C -1.098 176.649 177.584 0.271 0.000 1.086 273 A CA -1.139 51.074 52.037 0.292 0.000 0.677 273 A CB 1.617 20.688 19.000 0.119 0.000 1.278 273 A HN 1.034 nan 8.150 nan 0.000 0.414 274 R N 0.906 121.459 120.500 0.088 0.000 2.343 274 R HA 0.686 5.025 4.340 -0.001 0.000 0.320 274 R C -0.830 175.456 176.300 -0.023 0.000 0.956 274 R CA -0.421 55.669 56.100 -0.015 0.000 0.836 274 R CB 0.548 30.747 30.300 -0.169 0.000 1.151 274 R HN 0.836 nan 8.270 nan 0.000 0.450 275 I N 0.797 121.356 120.570 -0.018 0.000 2.797 275 I HA 0.514 4.684 4.170 -0.001 0.000 0.307 275 I C -0.621 175.474 176.117 -0.036 0.000 1.033 275 I CA -1.252 60.034 61.300 -0.022 0.000 1.071 275 I CB 1.872 39.867 38.000 -0.009 0.000 1.255 275 I HN 0.246 nan 8.210 nan 0.000 0.445 276 V N 2.507 122.403 119.914 -0.030 0.000 2.834 276 V HA 0.352 4.472 4.120 -0.001 0.000 0.301 276 V C 0.274 176.350 176.094 -0.031 0.000 1.066 276 V CA 0.224 62.507 62.300 -0.028 0.000 1.052 276 V CB 1.769 33.576 31.823 -0.026 0.000 1.021 276 V HN 0.950 nan 8.190 nan 0.000 0.480 277 T N 6.489 121.024 114.554 -0.032 0.000 2.888 277 T HA 0.425 4.775 4.350 -0.001 0.000 0.284 277 T C -2.448 172.234 174.700 -0.029 0.000 1.017 277 T CA -1.040 61.031 62.100 -0.049 0.000 1.022 277 T CB 1.755 70.570 68.868 -0.090 0.000 1.013 277 T HN 0.623 nan 8.240 nan 0.000 0.465 278 P HA 0.113 nan 4.420 nan 0.000 0.249 278 P C -0.547 176.758 177.300 0.008 0.000 1.686 278 P CA -0.042 63.060 63.100 0.004 0.000 0.873 278 P CB -0.542 31.167 31.700 0.015 0.000 1.828 279 R N -1.601 118.910 120.500 0.020 0.000 2.643 279 R HA 0.692 5.032 4.340 -0.001 0.000 0.269 279 R C -1.951 174.524 176.300 0.291 0.000 1.037 279 R CA -1.091 55.074 56.100 0.109 0.000 0.894 279 R CB 1.130 31.396 30.300 -0.057 0.000 1.238 279 R HN -0.221 nan 8.270 nan 0.000 0.459 280 V N 3.380 123.524 119.914 0.384 0.000 2.588 280 V HA 0.402 4.522 4.120 -0.001 0.000 0.304 280 V C -0.136 176.113 176.094 0.258 0.000 1.042 280 V CA -0.886 61.611 62.300 0.327 0.000 0.877 280 V CB 1.972 33.889 31.823 0.157 0.000 0.996 280 V HN 0.792 nan 8.190 nan 0.000 0.425 281 M N 4.400 123.961 119.600 -0.066 0.000 2.180 281 M HA 0.454 4.933 4.480 -0.001 0.000 0.358 281 M C -0.636 175.532 176.300 -0.220 0.000 1.233 281 M CA 0.054 55.060 55.300 -0.490 0.000 1.114 281 M CB 0.795 32.814 32.600 -0.970 0.000 1.594 281 M HN 0.718 nan 8.290 nan 0.000 0.467 282 Q N 3.232 122.919 119.800 -0.190 0.000 2.423 282 Q HA 0.542 4.882 4.340 -0.001 0.000 0.278 282 Q C -1.665 174.270 176.000 -0.108 0.000 1.097 282 Q CA -1.036 54.705 55.803 -0.104 0.000 0.809 282 Q CB 3.001 31.706 28.738 -0.054 0.000 1.391 282 Q HN 0.629 nan 8.270 nan 0.000 0.428 283 L N 0.844 122.023 121.223 -0.073 0.000 2.296 283 L HA 0.583 4.922 4.340 -0.001 0.000 0.286 283 L C -1.174 175.672 176.870 -0.040 0.000 1.023 283 L CA 0.321 55.125 54.840 -0.061 0.000 0.812 283 L CB 1.800 43.829 42.059 -0.051 0.000 1.223 283 L HN 0.571 nan 8.230 nan 0.000 0.421 284 T N 6.180 120.710 114.554 -0.040 0.000 2.824 284 T HA 0.560 4.910 4.350 -0.001 0.000 0.282 284 T C -0.184 174.501 174.700 -0.026 0.000 0.993 284 T CA -0.434 61.647 62.100 -0.031 0.000 0.967 284 T CB 1.113 69.960 68.868 -0.035 0.000 0.960 284 T HN 0.488 nan 8.240 nan 0.000 0.441 285 L N 3.047 124.261 121.223 -0.014 0.000 2.334 285 L HA 0.495 4.834 4.340 -0.001 0.000 0.277 285 L C 0.795 177.660 176.870 -0.009 0.000 1.075 285 L CA -0.982 53.852 54.840 -0.010 0.000 0.804 285 L CB 0.679 42.738 42.059 0.000 0.000 1.174 285 L HN 0.362 nan 8.230 nan 0.000 0.438 286 R N 2.753 123.247 120.500 -0.011 0.000 2.408 286 R HA 0.222 4.561 4.340 -0.001 0.000 0.308 286 R C 0.621 176.922 176.300 0.001 0.000 1.210 286 R CA -0.172 55.923 56.100 -0.008 0.000 1.115 286 R CB 0.844 31.136 30.300 -0.013 0.000 1.127 286 R HN 0.770 nan 8.270 nan 0.000 0.523 287 A N 2.979 125.803 122.820 0.007 0.000 2.168 287 A HA -0.149 4.171 4.320 -0.001 0.000 0.215 287 A C 1.914 179.506 177.584 0.013 0.000 1.152 287 A CA 0.681 52.727 52.037 0.014 0.000 0.716 287 A CB -0.008 19.004 19.000 0.020 0.000 0.794 287 A HN 0.629 nan 8.150 nan 0.000 0.465 288 Q N -0.131 119.674 119.800 0.009 0.000 2.472 288 Q HA -0.025 4.315 4.340 -0.001 0.000 0.208 288 Q C -0.190 175.815 176.000 0.007 0.000 0.958 288 Q CA 0.366 56.174 55.803 0.008 0.000 0.932 288 Q CB -0.298 28.443 28.738 0.004 0.000 1.007 288 Q HN 0.547 nan 8.270 nan 0.000 0.508 289 Q N 2.045 121.849 119.800 0.007 0.000 2.297 289 Q HA 0.123 4.463 4.340 -0.001 0.000 0.267 289 Q C -1.755 174.255 176.000 0.017 0.000 1.006 289 Q CA -1.513 54.295 55.803 0.009 0.000 0.896 289 Q CB 1.200 29.942 28.738 0.006 0.000 1.186 289 Q HN 0.061 nan 8.270 nan 0.000 0.392 290 P HA -0.230 nan 4.420 nan 0.000 0.216 290 P C 0.964 178.285 177.300 0.035 0.000 1.153 290 P CA 1.693 64.806 63.100 0.021 0.000 0.858 290 P CB 0.169 31.878 31.700 0.016 0.000 0.789 291 K N -0.332 120.094 120.400 0.042 0.000 2.362 291 K HA -0.038 4.282 4.320 -0.001 0.000 0.200 291 K C 1.339 177.982 176.600 0.072 0.000 1.046 291 K CA 1.152 57.483 56.287 0.072 0.000 0.952 291 K CB -0.642 31.904 32.500 0.078 0.000 0.753 291 K HN 0.206 nan 8.250 nan 0.000 0.466 292 L N 0.373 121.623 121.223 0.044 0.000 2.808 292 L HA 0.295 4.635 4.340 -0.001 0.000 0.246 292 L C 2.048 178.939 176.870 0.035 0.000 1.153 292 L CA -0.101 54.760 54.840 0.035 0.000 0.956 292 L CB 0.395 42.466 42.059 0.020 0.000 1.270 292 L HN 0.189 nan 8.230 nan 0.000 0.528 293 A N -0.516 122.326 122.820 0.036 0.000 1.933 293 A HA -0.169 4.151 4.320 -0.001 0.000 0.218 293 A C 1.067 178.672 177.584 0.035 0.000 1.175 293 A CA 0.970 53.026 52.037 0.031 0.000 0.628 293 A CB -0.244 18.772 19.000 0.027 0.000 0.814 293 A HN 0.326 nan 8.150 nan 0.000 0.444 294 D N -0.443 119.984 120.400 0.045 0.000 2.358 294 D HA 0.210 4.850 4.640 -0.001 0.000 0.258 294 D C -1.749 174.578 176.300 0.046 0.000 1.223 294 D CA -2.027 52.002 54.000 0.048 0.000 0.886 294 D CB 1.171 42.010 40.800 0.065 0.000 1.120 294 D HN 0.019 nan 8.370 nan 0.000 0.482 295 P HA -0.139 nan 4.420 nan 0.000 0.218 295 P C 1.146 178.469 177.300 0.040 0.000 1.148 295 P CA 0.949 64.073 63.100 0.039 0.000 0.822 295 P CB 0.367 32.090 31.700 0.038 0.000 0.784 296 Q N -0.706 119.119 119.800 0.041 0.000 2.123 296 Q HA -0.054 4.286 4.340 -0.001 0.000 0.199 296 Q C 2.206 178.227 176.000 0.036 0.000 0.966 296 Q CA 1.046 56.873 55.803 0.039 0.000 0.845 296 Q CB -1.317 27.447 28.738 0.044 0.000 0.907 296 Q HN 0.183 nan 8.270 nan 0.000 0.439 297 V N 1.346 121.288 119.914 0.046 0.000 2.295 297 V HA -0.252 3.867 4.120 -0.001 0.000 0.246 297 V C 2.420 178.514 176.094 -0.001 0.000 1.049 297 V CA 1.792 64.106 62.300 0.023 0.000 1.024 297 V CB -0.509 31.351 31.823 0.061 0.000 0.648 297 V HN 0.317 nan 8.190 nan 0.000 0.447 298 R N 0.166 120.677 120.500 0.018 0.000 2.091 298 R HA -0.185 4.155 4.340 -0.001 0.000 0.238 298 R C 2.422 178.736 176.300 0.022 0.000 1.136 298 R CA 1.575 57.685 56.100 0.018 0.000 0.959 298 R CB -0.383 29.935 30.300 0.030 0.000 0.856 298 R HN 0.498 nan 8.270 nan 0.000 0.437 299 K N 0.388 120.805 120.400 0.029 0.000 2.057 299 K HA -0.102 4.218 4.320 -0.001 0.000 0.207 299 K C 2.179 178.788 176.600 0.015 0.000 1.049 299 K CA 1.424 57.731 56.287 0.033 0.000 0.931 299 K CB -0.162 32.358 32.500 0.034 0.000 0.714 299 K HN 0.152 nan 8.250 nan 0.000 0.440 300 A N 1.544 124.363 122.820 -0.001 0.000 1.877 300 A HA -0.162 4.157 4.320 -0.001 0.000 0.216 300 A C 2.061 179.626 177.584 -0.032 0.000 1.186 300 A CA 1.264 53.289 52.037 -0.021 0.000 0.620 300 A CB -0.496 18.479 19.000 -0.041 0.000 0.822 300 A HN 0.098 nan 8.150 nan 0.000 0.443 301 I N 0.111 120.659 120.570 -0.037 0.000 2.127 301 I HA -0.249 3.921 4.170 -0.001 0.000 0.241 301 I C 2.487 178.595 176.117 -0.015 0.000 1.075 301 I CA 1.431 62.708 61.300 -0.038 0.000 1.334 301 I CB -1.451 36.527 38.000 -0.036 0.000 1.040 301 I HN 0.299 nan 8.210 nan 0.000 0.405 302 L N 0.336 121.563 121.223 0.006 0.000 2.141 302 L HA -0.081 4.259 4.340 -0.001 0.000 0.209 302 L C 2.535 179.419 176.870 0.024 0.000 1.094 302 L CA 1.255 56.111 54.840 0.027 0.000 0.763 302 L CB -1.013 41.082 42.059 0.060 0.000 0.908 302 L HN 0.301 nan 8.230 nan 0.000 0.437 303 G N -0.257 108.551 108.800 0.013 0.000 2.534 303 G HA2 -0.083 3.877 3.960 -0.001 0.000 0.217 303 G HA3 -0.083 3.877 3.960 -0.001 0.000 0.217 303 G C 1.540 176.437 174.900 -0.006 0.000 1.128 303 G CA 0.106 45.208 45.100 0.005 0.000 0.784 303 G HN 0.252 nan 8.290 nan 0.000 0.542 304 L N 0.029 121.245 121.223 -0.012 0.000 2.509 304 L HA 0.366 4.706 4.340 -0.001 0.000 0.222 304 L C 0.552 177.414 176.870 -0.014 0.000 1.123 304 L CA -0.024 54.805 54.840 -0.019 0.000 0.856 304 L CB 0.168 42.208 42.059 -0.032 0.000 0.985 304 L HN 0.082 nan 8.230 nan 0.000 0.456 305 I N 0.158 120.724 120.570 -0.008 0.000 2.331 305 I HA 0.084 4.254 4.170 -0.001 0.000 0.292 305 I C -0.194 175.924 176.117 0.002 0.000 0.998 305 I CA -0.390 60.907 61.300 -0.005 0.000 1.267 305 I CB 1.158 39.156 38.000 -0.003 0.000 1.386 305 I HN -0.116 nan 8.210 nan 0.000 0.476 306 D N 6.269 126.668 120.400 -0.001 0.000 2.365 306 D HA 0.037 4.677 4.640 -0.001 0.000 0.237 306 D C 0.749 177.053 176.300 0.007 0.000 1.190 306 D CA 0.078 54.079 54.000 0.002 0.000 0.867 306 D CB 1.681 42.480 40.800 -0.002 0.000 1.050 306 D HN 0.324 nan 8.370 nan 0.000 0.491 307 V N 4.097 124.022 119.914 0.018 0.000 2.626 307 V HA -0.200 3.920 4.120 -0.001 0.000 0.252 307 V C 1.207 177.313 176.094 0.021 0.000 1.067 307 V CA 1.750 64.066 62.300 0.026 0.000 1.081 307 V CB -0.063 31.794 31.823 0.057 0.000 0.686 307 V HN 0.438 nan 8.190 nan 0.000 0.468 308 D N -0.277 120.134 120.400 0.018 0.000 2.117 308 D HA -0.142 4.498 4.640 -0.001 0.000 0.198 308 D C 1.823 178.129 176.300 0.010 0.000 0.982 308 D CA 1.440 55.449 54.000 0.016 0.000 0.828 308 D CB -0.231 40.576 40.800 0.012 0.000 0.967 308 D HN 0.449 nan 8.370 nan 0.000 0.464 309 L N 0.363 121.589 121.223 0.004 0.000 2.046 309 L HA -0.087 4.253 4.340 -0.001 0.000 0.208 309 L C 1.872 178.739 176.870 -0.005 0.000 1.077 309 L CA 1.497 56.337 54.840 -0.000 0.000 0.747 309 L CB -0.455 41.602 42.059 -0.003 0.000 0.896 309 L HN 0.078 nan 8.230 nan 0.000 0.432 310 L N -0.642 120.576 121.223 -0.009 0.000 2.083 310 L HA -0.174 4.166 4.340 -0.001 0.000 0.209 310 L C 2.678 179.534 176.870 -0.023 0.000 1.083 310 L CA 1.171 55.997 54.840 -0.022 0.000 0.752 310 L CB -1.100 40.941 42.059 -0.029 0.000 0.899 310 L HN 0.400 nan 8.230 nan 0.000 0.433 311 A N 0.461 123.276 122.820 -0.007 0.000 1.898 311 A HA -0.199 4.120 4.320 -0.001 0.000 0.216 311 A C 2.552 180.144 177.584 0.012 0.000 1.181 311 A CA 1.926 53.965 52.037 0.003 0.000 0.620 311 A CB -0.636 18.376 19.000 0.020 0.000 0.819 311 A HN 0.521 nan 8.150 nan 0.000 0.442 312 S N -0.399 115.308 115.700 0.012 0.000 2.383 312 S HA -0.104 4.366 4.470 -0.001 0.000 0.227 312 S C 1.736 176.344 174.600 0.012 0.000 1.026 312 S CA 1.361 59.571 58.200 0.016 0.000 0.981 312 S CB -0.854 62.354 63.200 0.013 0.000 0.818 312 S HN 0.229 nan 8.310 nan 0.000 0.472 313 V N 2.385 122.300 119.914 0.002 0.000 2.358 313 V HA -0.025 4.094 4.120 -0.001 0.000 0.246 313 V C 2.927 179.020 176.094 -0.003 0.000 1.047 313 V CA 1.817 64.115 62.300 -0.003 0.000 1.035 313 V CB -1.640 30.175 31.823 -0.014 0.000 0.658 313 V HN 0.655 nan 8.190 nan 0.000 0.452 314 G N -0.595 108.199 108.800 -0.010 0.000 2.422 314 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.218 314 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.218 314 G C 1.675 176.602 174.900 0.047 0.000 1.146 314 G CA 1.077 46.173 45.100 -0.006 0.000 0.769 314 G HN 0.608 nan 8.290 nan 0.000 0.547 315 A N -0.373 122.478 122.820 0.052 0.000 1.903 315 A HA 0.527 4.846 4.320 -0.001 0.000 0.213 315 A C 1.620 179.238 177.584 0.056 0.000 1.185 315 A CA 1.572 53.656 52.037 0.077 0.000 0.628 315 A CB -0.627 18.419 19.000 0.077 0.000 0.830 315 A HN 1.850 nan 8.150 nan 0.000 0.446 316 G N -0.909 107.913 108.800 0.036 0.000 2.756 316 G HA2 -0.145 3.814 3.960 -0.001 0.000 0.678 316 G HA3 -0.145 3.814 3.960 -0.001 0.000 0.678 316 G C -0.129 174.792 174.900 0.036 0.000 1.349 316 G CA 0.063 45.181 45.100 0.030 0.000 0.847 316 G HN 0.131 nan 8.290 nan 0.000 0.548 317 D N 0.566 120.985 120.400 0.031 0.000 2.084 317 D HA -0.065 4.574 4.640 -0.001 0.000 0.194 317 D C 1.659 177.985 176.300 0.044 0.000 0.990 317 D CA 1.664 55.684 54.000 0.033 0.000 0.826 317 D CB -0.315 40.502 40.800 0.028 0.000 0.971 317 D HN 0.748 nan 8.370 nan 0.000 0.453 318 D N 1.093 121.523 120.400 0.050 0.000 2.736 318 D HA -0.018 4.622 4.640 -0.001 0.000 0.228 318 D C -0.127 176.230 176.300 0.094 0.000 1.077 318 D CA 0.201 54.242 54.000 0.069 0.000 1.096 318 D CB -0.759 40.082 40.800 0.067 0.000 1.138 318 D HN -0.041 nan 8.370 nan 0.000 0.461 319 N N -0.125 118.626 118.700 0.084 0.000 4.454 319 N HA 0.046 4.786 4.740 -0.001 0.000 0.201 319 N C -1.770 173.778 175.510 0.064 0.000 1.131 319 N CA -0.333 52.776 53.050 0.099 0.000 0.964 319 N CB 1.343 39.908 38.487 0.131 0.000 1.579 319 N HN -0.013 nan 8.380 nan 0.000 0.573 320 T N 0.640 115.223 114.554 0.050 0.000 2.771 320 T HA 0.347 4.696 4.350 -0.001 0.000 0.281 320 T C -0.225 174.494 174.700 0.032 0.000 0.982 320 T CA -0.400 61.713 62.100 0.021 0.000 0.978 320 T CB 1.599 70.455 68.868 -0.021 0.000 0.930 320 T HN 0.263 nan 8.240 nan 0.000 0.447 321 V N 4.748 124.680 119.914 0.030 0.000 2.408 321 V HA 0.346 4.466 4.120 -0.001 0.000 0.267 321 V C -0.007 176.105 176.094 0.030 0.000 1.047 321 V CA -0.015 62.308 62.300 0.040 0.000 0.937 321 V CB 0.594 32.440 31.823 0.038 0.000 0.999 321 V HN 0.986 nan 8.190 nan 0.000 0.472 322 T N 9.056 123.630 114.554 0.034 0.000 2.811 322 T HA 0.423 4.772 4.350 -0.001 0.000 0.309 322 T C 0.033 174.751 174.700 0.029 0.000 1.005 322 T CA -0.152 61.958 62.100 0.017 0.000 0.955 322 T CB 0.081 68.945 68.868 -0.007 0.000 0.970 322 T HN 0.564 nan 8.240 nan 0.000 0.496 323 L N 2.589 123.838 121.223 0.045 0.000 2.453 323 L HA 0.384 4.724 4.340 -0.001 0.000 0.272 323 L C 0.833 177.759 176.870 0.093 0.000 1.182 323 L CA -0.501 54.383 54.840 0.072 0.000 0.858 323 L CB 0.240 42.350 42.059 0.085 0.000 1.120 323 L HN 0.564 nan 8.230 nan 0.000 0.474 324 A N 3.864 126.753 122.820 0.116 0.000 2.280 324 A HA 0.443 4.762 4.320 -0.001 0.000 0.320 324 A C 0.171 177.927 177.584 0.286 0.000 1.366 324 A CA -0.419 51.716 52.037 0.163 0.000 0.938 324 A CB 0.372 19.440 19.000 0.114 0.000 1.157 324 A HN 0.867 nan 8.150 nan 0.000 0.536 325 Q N 1.182 121.236 119.800 0.425 0.000 2.135 325 Q HA 0.447 4.786 4.340 -0.001 0.000 0.231 325 Q C 0.033 176.330 176.000 0.495 0.000 0.817 325 Q CA 0.107 56.156 55.803 0.410 0.000 1.073 325 Q CB 1.160 30.045 28.738 0.244 0.000 1.176 325 Q HN 0.813 nan 8.270 nan 0.000 0.478 326 A N -0.084 123.057 122.820 0.536 0.000 2.479 326 A HA 0.468 4.787 4.320 -0.001 0.000 0.296 326 A C 0.181 177.903 177.584 0.228 0.000 1.121 326 A CA -0.503 51.803 52.037 0.448 0.000 0.743 326 A CB 1.519 20.681 19.000 0.271 0.000 1.323 326 A HN -0.024 nan 8.150 nan 0.000 0.415 327 Q N -0.291 119.504 119.800 -0.009 0.000 2.013 327 Q HA -0.010 4.330 4.340 -0.001 0.000 0.195 327 Q C 2.134 178.139 176.000 0.008 0.000 0.974 327 Q CA 1.760 57.436 55.803 -0.210 0.000 0.826 327 Q CB -0.455 27.950 28.738 -0.555 0.000 0.895 327 Q HN 0.584 nan 8.270 nan 0.000 0.448 328 V N 1.205 121.129 119.914 0.016 0.000 2.273 328 V HA -0.105 4.015 4.120 -0.001 0.000 0.242 328 V C 1.210 177.382 176.094 0.130 0.000 1.035 328 V CA 1.041 63.395 62.300 0.089 0.000 1.013 328 V CB -0.332 31.522 31.823 0.051 0.000 0.652 328 V HN 0.229 nan 8.190 nan 0.000 0.452 329 R N 0.834 121.430 120.500 0.160 0.000 2.543 329 R HA 0.287 4.627 4.340 -0.001 0.000 0.277 329 R C 0.008 176.464 176.300 0.260 0.000 1.074 329 R CA -0.059 56.172 56.100 0.218 0.000 1.076 329 R CB 0.629 31.096 30.300 0.279 0.000 0.993 329 R HN 0.363 nan 8.270 nan 0.000 0.459 330 S N 3.763 119.551 115.700 0.148 0.000 2.610 330 S HA 0.129 4.599 4.470 -0.001 0.000 0.273 330 S C -1.611 172.836 174.600 -0.255 0.000 1.274 330 S CA -1.343 56.862 58.200 0.009 0.000 1.023 330 S CB 1.448 64.656 63.200 0.013 0.000 0.962 330 S HN 0.440 nan 8.310 nan 0.000 0.523 331 P HA -0.170 nan 4.420 nan 0.000 0.217 331 P C 1.386 178.425 177.300 -0.435 0.000 1.148 331 P CA 1.353 63.766 63.100 -1.144 0.000 0.834 331 P CB -0.085 31.223 31.700 -0.654 0.000 0.783 332 S N -2.723 112.859 115.700 -0.197 0.000 2.489 332 S HA -0.031 4.439 4.470 -0.001 0.000 0.228 332 S C 0.719 175.318 174.600 -0.001 0.000 0.995 332 S CA 0.175 58.334 58.200 -0.068 0.000 0.934 332 S CB -0.844 62.334 63.200 -0.036 0.000 0.771 332 S HN 0.060 nan 8.310 nan 0.000 0.522 333 D N 3.670 124.089 120.400 0.032 0.000 2.425 333 D HA 0.187 4.826 4.640 -0.001 0.000 0.247 333 D C -1.638 174.731 176.300 0.115 0.000 1.147 333 D CA -1.678 52.375 54.000 0.088 0.000 0.879 333 D CB 0.955 41.830 40.800 0.125 0.000 1.179 333 D HN 0.089 nan 8.370 nan 0.000 0.456 334 P HA -0.117 nan 4.420 nan 0.000 0.217 334 P C 1.219 178.575 177.300 0.094 0.000 1.151 334 P CA 1.200 64.346 63.100 0.076 0.000 0.849 334 P CB 0.267 31.998 31.700 0.052 0.000 0.787 335 G N -2.670 106.188 108.800 0.098 0.000 3.181 335 G HA2 -0.090 3.870 3.960 -0.001 0.000 0.219 335 G HA3 -0.090 3.870 3.960 -0.001 0.000 0.219 335 G C -0.152 174.810 174.900 0.103 0.000 1.182 335 G CA -0.282 44.867 45.100 0.082 0.000 0.791 335 G HN 0.218 nan 8.290 nan 0.000 0.537 336 Y N 1.017 121.338 120.300 0.035 0.000 2.721 336 Y HA 0.321 4.871 4.550 -0.001 0.000 0.329 336 Y C -0.349 175.574 175.900 0.040 0.000 1.211 336 Y CA 0.023 58.149 58.100 0.043 0.000 1.512 336 Y CB 0.725 39.214 38.460 0.048 0.000 1.249 336 Y HN -0.029 nan 8.280 nan 0.000 0.549 337 V N 9.249 128.771 119.914 -0.653 0.000 2.760 337 V HA 0.506 4.625 4.120 -0.001 0.000 0.309 337 V C -2.489 173.163 176.094 -0.736 0.000 1.077 337 V CA -2.515 59.441 62.300 -0.572 0.000 0.910 337 V CB 2.115 33.803 31.823 -0.224 0.000 1.008 337 V HN 0.747 nan 8.190 nan 0.000 0.424 338 P HA 0.217 nan 4.420 nan 0.000 0.265 338 P C 0.301 177.509 177.300 -0.153 0.000 1.193 338 P CA 0.345 63.285 63.100 -0.267 0.000 0.765 338 P CB 0.601 32.231 31.700 -0.117 0.000 0.823 339 T N -1.658 112.871 114.554 -0.043 0.000 3.058 339 T HA 0.383 4.732 4.350 -0.001 0.000 0.278 339 T C 0.688 175.178 174.700 -0.351 0.000 0.974 339 T CA -0.184 61.892 62.100 -0.039 0.000 0.893 339 T CB -0.119 68.859 68.868 0.184 0.000 1.138 339 T HN 0.399 nan 8.240 nan 0.000 0.529 340 A N 3.500 125.992 122.820 -0.547 0.000 2.566 340 A HA 0.506 4.826 4.320 -0.001 0.000 0.245 340 A C -1.965 175.140 177.584 -0.798 0.000 1.056 340 A CA -0.763 50.512 52.037 -1.270 0.000 0.757 340 A CB -0.527 17.986 19.000 -0.812 0.000 0.979 340 A HN 0.366 nan 8.150 nan 0.000 0.508 341 P HA 0.298 nan 4.420 nan 0.000 0.271 341 P C -2.326 174.795 177.300 -0.298 0.000 1.233 341 P CA -0.801 62.050 63.100 -0.414 0.000 0.789 341 P CB -0.442 31.070 31.700 -0.313 0.000 0.951 342 P HA 0.122 nan 4.420 nan 0.000 0.266 342 P C -0.573 176.659 177.300 -0.114 0.000 1.195 342 P CA 0.097 63.117 63.100 -0.132 0.000 0.768 342 P CB 0.125 31.770 31.700 -0.093 0.000 0.838 343 A N 3.767 126.532 122.820 -0.092 0.000 2.540 343 A HA 0.153 4.473 4.320 -0.001 0.000 0.239 343 A C 0.375 177.932 177.584 -0.046 0.000 1.061 343 A CA -0.041 51.957 52.037 -0.064 0.000 0.758 343 A CB -0.399 18.572 19.000 -0.048 0.000 0.991 343 A HN 0.650 nan 8.150 nan 0.000 0.502 344 M N 2.734 122.314 119.600 -0.033 0.000 2.250 344 M HA 0.291 4.771 4.480 -0.001 0.000 0.344 344 M C 1.035 177.324 176.300 -0.018 0.000 1.150 344 M CA -0.187 55.099 55.300 -0.023 0.000 1.147 344 M CB 0.892 33.484 32.600 -0.014 0.000 1.498 344 M HN 0.946 nan 8.290 nan 0.000 0.461 345 T N 0.816 115.360 114.554 -0.016 0.000 2.732 345 T HA 0.231 4.580 4.350 -0.001 0.000 0.287 345 T C 0.889 175.582 174.700 -0.012 0.000 0.993 345 T CA -0.408 61.684 62.100 -0.013 0.000 0.966 345 T CB 0.806 69.667 68.868 -0.012 0.000 1.047 345 T HN 0.875 nan 8.240 nan 0.000 0.527 346 R N -0.229 120.264 120.500 -0.011 0.000 2.075 346 R HA -0.050 4.290 4.340 -0.001 0.000 0.226 346 R C 1.892 178.186 176.300 -0.010 0.000 1.114 346 R CA 1.125 57.218 56.100 -0.011 0.000 0.972 346 R CB -0.324 29.969 30.300 -0.011 0.000 0.869 346 R HN 0.703 nan 8.270 nan 0.000 0.437 347 D N 0.675 121.070 120.400 -0.008 0.000 2.144 347 D HA -0.157 4.482 4.640 -0.001 0.000 0.199 347 D C 1.158 177.456 176.300 -0.004 0.000 0.984 347 D CA 1.146 55.143 54.000 -0.005 0.000 0.834 347 D CB -0.049 40.749 40.800 -0.004 0.000 0.955 347 D HN 0.285 nan 8.370 nan 0.000 0.465 348 D N 0.582 120.979 120.400 -0.005 0.000 2.144 348 D HA -0.071 4.569 4.640 -0.001 0.000 0.200 348 D C 2.061 178.359 176.300 -0.004 0.000 0.978 348 D CA 0.719 54.717 54.000 -0.004 0.000 0.833 348 D CB -0.003 40.794 40.800 -0.006 0.000 0.961 348 D HN 0.083 nan 8.370 nan 0.000 0.470 349 A N 0.959 123.774 122.820 -0.008 0.000 1.877 349 A HA -0.120 4.200 4.320 -0.001 0.000 0.216 349 A C 2.416 179.990 177.584 -0.017 0.000 1.186 349 A CA 0.879 52.908 52.037 -0.013 0.000 0.620 349 A CB -0.777 18.212 19.000 -0.018 0.000 0.822 349 A HN 0.190 nan 8.150 nan 0.000 0.443 350 L N -0.724 120.490 121.223 -0.015 0.000 2.083 350 L HA -0.199 4.141 4.340 -0.001 0.000 0.209 350 L C 2.610 179.483 176.870 0.005 0.000 1.083 350 L CA 1.735 56.568 54.840 -0.012 0.000 0.752 350 L CB -0.536 41.518 42.059 -0.008 0.000 0.899 350 L HN 0.629 nan 8.230 nan 0.000 0.433 351 E N 1.067 121.271 120.200 0.007 0.000 2.085 351 E HA -0.227 4.122 4.350 -0.001 0.000 0.194 351 E C 2.175 178.789 176.600 0.023 0.000 0.994 351 E CA 1.404 57.813 56.400 0.015 0.000 0.801 351 E CB -0.285 29.420 29.700 0.009 0.000 0.743 351 E HN 0.415 nan 8.360 nan 0.000 0.453 352 L N 0.096 121.330 121.223 0.018 0.000 2.141 352 L HA -0.119 4.220 4.340 -0.001 0.000 0.209 352 L C 2.513 179.411 176.870 0.048 0.000 1.094 352 L CA 0.751 55.607 54.840 0.027 0.000 0.763 352 L CB -0.324 41.745 42.059 0.016 0.000 0.908 352 L HN 0.263 nan 8.230 nan 0.000 0.437 353 L N -0.210 121.033 121.223 0.033 0.000 2.056 353 L HA -0.190 4.150 4.340 -0.001 0.000 0.207 353 L C 2.851 179.831 176.870 0.182 0.000 1.078 353 L CA 1.358 56.236 54.840 0.064 0.000 0.749 353 L CB -0.467 41.556 42.059 -0.059 0.000 0.901 353 L HN 0.345 nan 8.230 nan 0.000 0.433 354 R N -0.450 120.116 120.500 0.111 0.000 2.115 354 R HA -0.125 4.215 4.340 -0.001 0.000 0.230 354 R C 1.563 177.911 176.300 0.081 0.000 1.111 354 R CA 1.528 57.690 56.100 0.102 0.000 0.976 354 R CB -0.688 29.649 30.300 0.061 0.000 0.870 354 R HN 0.220 nan 8.270 nan 0.000 0.445 355 D N 1.442 121.883 120.400 0.069 0.000 2.178 355 D HA -0.078 4.562 4.640 -0.001 0.000 0.201 355 D C 1.759 178.096 176.300 0.062 0.000 0.980 355 D CA 1.694 55.725 54.000 0.052 0.000 0.842 355 D CB -0.152 40.672 40.800 0.041 0.000 0.948 355 D HN 0.474 nan 8.370 nan 0.000 0.472 356 A N -0.244 122.642 122.820 0.110 0.000 2.206 356 A HA 0.340 4.660 4.320 -0.001 0.000 0.211 356 A C 1.703 179.317 177.584 0.051 0.000 1.158 356 A CA 1.247 53.361 52.037 0.129 0.000 0.761 356 A CB -0.119 19.029 19.000 0.247 0.000 0.801 356 A HN 0.279 nan 8.150 nan 0.000 0.473 357 G N -2.767 106.053 108.800 0.034 0.000 2.138 357 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.193 357 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.193 357 G C -0.179 174.622 174.900 -0.165 0.000 0.998 357 G CA -0.064 44.987 45.100 -0.082 0.000 0.668 357 G HN 0.364 nan 8.290 nan 0.000 0.516 358 Y N -0.134 120.167 120.300 0.001 0.000 2.320 358 Y HA 0.579 5.128 4.550 -0.000 0.000 0.324 358 Y C 0.968 176.868 175.900 0.000 0.000 1.190 358 Y CA -0.108 57.992 58.100 0.001 0.000 1.215 358 Y CB 1.758 40.218 38.460 0.001 0.000 1.221 358 Y HN 0.505 nan 8.280 nan 0.000 0.486 359 V N -1.605 118.399 119.914 0.150 0.000 3.158 359 V HA 0.712 4.832 4.120 -0.001 0.000 0.311 359 V C -0.577 175.568 176.094 0.084 0.000 1.181 359 V CA -1.124 61.228 62.300 0.087 0.000 1.054 359 V CB 1.864 33.711 31.823 0.041 0.000 1.085 359 V HN 0.615 nan 8.190 nan 0.000 0.446 360 S N 0.677 116.408 115.700 0.052 0.000 2.475 360 S HA 0.688 5.158 4.470 -0.001 0.000 0.298 360 S C -0.635 173.982 174.600 0.028 0.000 1.119 360 S CA -0.588 57.636 58.200 0.039 0.000 1.085 360 S CB 1.034 64.250 63.200 0.027 0.000 1.028 360 S HN 0.845 nan 8.310 nan 0.000 0.489 361 E N 1.682 121.897 120.200 0.026 0.000 2.343 361 E HA 0.433 4.783 4.350 -0.001 0.000 0.270 361 E C -2.740 173.868 176.600 0.014 0.000 0.895 361 E CA -2.398 54.013 56.400 0.018 0.000 0.767 361 E CB 1.456 31.167 29.700 0.019 0.000 1.248 361 E HN 0.267 nan 8.360 nan 0.000 0.440 362 P HA 0.004 nan 4.420 nan 0.000 0.270 362 P C -0.561 176.744 177.300 0.008 0.000 1.223 362 P CA -0.208 62.897 63.100 0.008 0.000 0.785 362 P CB 0.500 32.204 31.700 0.006 0.000 0.923 380 E N -0.088 120.114 120.200 0.004 0.000 2.343 380 E HA 0.292 4.642 4.350 -0.001 0.000 0.275 380 E C -1.813 174.792 176.600 0.008 0.000 1.225 380 E CA -0.746 55.657 56.400 0.006 0.000 0.947 380 E CB 1.675 31.378 29.700 0.006 0.000 1.273 380 E HN 0.303 nan 8.360 nan 0.000 0.405 381 R N 1.312 121.820 120.500 0.014 0.000 2.579 381 R HA 0.368 4.708 4.340 -0.001 0.000 0.260 381 R C -1.728 174.593 176.300 0.035 0.000 1.103 381 R CA -0.629 55.482 56.100 0.019 0.000 0.942 381 R CB 1.142 31.454 30.300 0.020 0.000 1.251 381 R HN 0.456 nan 8.270 nan 0.000 0.450 382 I N 4.452 125.046 120.570 0.040 0.000 2.331 382 I HA 0.420 4.590 4.170 -0.001 0.000 0.292 382 I C -0.263 175.949 176.117 0.158 0.000 0.998 382 I CA -0.565 60.783 61.300 0.080 0.000 1.267 382 I CB 1.516 39.519 38.000 0.005 0.000 1.386 382 I HN 0.332 nan 8.210 nan 0.000 0.476 383 V N 6.792 126.844 119.914 0.229 0.000 2.888 383 V HA 0.388 4.507 4.120 -0.001 0.000 0.309 383 V C -0.323 175.825 176.094 0.090 0.000 1.114 383 V CA -0.960 61.444 62.300 0.173 0.000 0.940 383 V CB 3.161 35.027 31.823 0.071 0.000 1.021 383 V HN 0.639 nan 8.190 nan 0.000 0.426 384 K N 3.110 123.453 120.400 -0.096 0.000 2.425 384 K HA 0.346 4.665 4.320 -0.001 0.000 0.259 384 K C -0.429 176.068 176.600 -0.171 0.000 0.978 384 K CA -0.348 55.726 56.287 -0.354 0.000 0.883 384 K CB 0.702 32.727 32.500 -0.793 0.000 1.110 384 K HN 0.837 nan 8.250 nan 0.000 0.436 385 D N 3.742 124.066 120.400 -0.126 0.000 2.686 385 D HA -0.215 4.425 4.640 -0.001 0.000 0.235 385 D C 0.606 176.878 176.300 -0.046 0.000 1.160 385 D CA 1.380 55.334 54.000 -0.076 0.000 0.645 385 D CB -0.904 39.848 40.800 -0.080 0.000 1.039 385 D HN 1.126 nan 8.370 nan 0.000 0.423 386 G N -1.766 107.015 108.800 -0.031 0.000 2.179 386 G HA2 -0.337 3.623 3.960 -0.001 0.000 0.260 386 G HA3 -0.337 3.623 3.960 -0.001 0.000 0.260 386 G C 0.380 175.279 174.900 -0.002 0.000 0.977 386 G CA 0.245 45.338 45.100 -0.012 0.000 0.641 386 G HN 0.567 nan 8.290 nan 0.000 0.533 387 V N 3.470 123.380 119.914 -0.006 0.000 2.333 387 V HA 0.439 4.558 4.120 -0.001 0.000 0.274 387 V C -1.486 174.641 176.094 0.055 0.000 1.028 387 V CA -1.627 60.682 62.300 0.014 0.000 0.851 387 V CB 1.442 33.267 31.823 0.003 0.000 1.000 387 V HN 0.213 nan 8.190 nan 0.000 0.456 388 P HA 0.049 nan 4.420 nan 0.000 0.268 388 P C -0.411 176.951 177.300 0.104 0.000 1.204 388 P CA -0.344 62.803 63.100 0.079 0.000 0.768 388 P CB 0.975 32.702 31.700 0.044 0.000 0.842 389 L N 4.050 125.356 121.223 0.138 0.000 2.418 389 L HA 0.244 4.583 4.340 -0.001 0.000 0.274 389 L C -0.094 176.794 176.870 0.029 0.000 1.135 389 L CA 1.073 55.976 54.840 0.105 0.000 0.870 389 L CB -0.122 41.933 42.059 -0.007 0.000 1.154 389 L HN 0.290 nan 8.230 nan 0.000 0.462 390 T N 6.739 121.309 114.554 0.027 0.000 2.807 390 T HA 0.619 4.969 4.350 -0.001 0.000 0.279 390 T C -0.585 174.112 174.700 -0.005 0.000 0.993 390 T CA -0.325 61.780 62.100 0.007 0.000 0.970 390 T CB 0.964 69.840 68.868 0.013 0.000 0.950 390 T HN 0.341 nan 8.240 nan 0.000 0.441 391 I N 3.960 124.521 120.570 -0.017 0.000 2.468 391 I HA 0.354 4.523 4.170 -0.001 0.000 0.285 391 I C -0.558 175.544 176.117 -0.025 0.000 1.039 391 I CA -0.758 60.528 61.300 -0.023 0.000 1.074 391 I CB 1.823 39.804 38.000 -0.032 0.000 1.228 391 I HN 0.313 nan 8.210 nan 0.000 0.436 392 V N 7.303 127.201 119.914 -0.026 0.000 2.328 392 V HA 0.369 4.489 4.120 -0.001 0.000 0.278 392 V C 0.022 176.092 176.094 -0.040 0.000 1.021 392 V CA -0.580 61.701 62.300 -0.031 0.000 0.838 392 V CB 1.677 33.483 31.823 -0.029 0.000 0.999 392 V HN 0.398 nan 8.190 nan 0.000 0.447 393 L N 5.028 126.225 121.223 -0.044 0.000 2.260 393 L HA 0.618 4.958 4.340 -0.001 0.000 0.289 393 L C 1.017 177.847 176.870 -0.066 0.000 1.057 393 L CA 0.453 55.261 54.840 -0.055 0.000 0.811 393 L CB 1.061 43.089 42.059 -0.053 0.000 1.184 393 L HN 0.713 nan 8.230 nan 0.000 0.429 394 G N 2.416 111.166 108.800 -0.084 0.000 2.415 394 G HA2 0.545 4.504 3.960 -0.001 0.000 0.269 394 G HA3 0.545 4.504 3.960 -0.001 0.000 0.269 394 G C -1.119 173.707 174.900 -0.124 0.000 1.209 394 G CA -0.256 44.779 45.100 -0.109 0.000 0.835 394 G HN 0.448 nan 8.290 nan 0.000 0.534 395 V N 0.958 120.801 119.914 -0.119 0.000 3.147 395 V HA 0.714 4.834 4.120 -0.001 0.000 0.299 395 V C -0.355 175.687 176.094 -0.087 0.000 1.302 395 V CA -0.481 61.756 62.300 -0.104 0.000 1.015 395 V CB 2.023 33.800 31.823 -0.076 0.000 1.086 395 V HN 1.386 nan 8.190 nan 0.000 0.437 396 A N 3.010 125.797 122.820 -0.056 0.000 2.396 396 A HA 0.500 4.820 4.320 -0.001 0.000 0.279 396 A C 1.290 178.870 177.584 -0.007 0.000 1.165 396 A CA 0.463 52.488 52.037 -0.020 0.000 0.824 396 A CB 0.492 19.514 19.000 0.036 0.000 1.100 396 A HN 1.819 nan 8.150 nan 0.000 0.516 397 S N 2.647 118.339 115.700 -0.014 0.000 2.469 397 S HA -0.173 4.296 4.470 -0.001 0.000 0.238 397 S C 1.449 176.049 174.600 0.001 0.000 0.998 397 S CA 1.326 59.521 58.200 -0.009 0.000 0.957 397 S CB -0.355 62.837 63.200 -0.012 0.000 0.764 397 S HN 0.748 nan 8.310 nan 0.000 0.514 398 N N 2.313 121.017 118.700 0.007 0.000 2.364 398 N HA -0.061 4.679 4.740 -0.001 0.000 0.183 398 N C -0.337 175.184 175.510 0.018 0.000 1.022 398 N CA 1.061 54.116 53.050 0.008 0.000 0.883 398 N CB -0.329 38.164 38.487 0.011 0.000 0.965 398 N HN 0.530 nan 8.380 nan 0.000 0.438 399 D N -0.998 119.423 120.400 0.036 0.000 2.438 399 D HA 0.283 4.923 4.640 -0.001 0.000 0.257 399 D C -2.077 174.254 176.300 0.051 0.000 1.148 399 D CA -2.205 51.836 54.000 0.069 0.000 0.902 399 D CB 1.347 42.233 40.800 0.142 0.000 1.062 399 D HN -0.035 nan 8.370 nan 0.000 0.518 400 P HA -0.096 nan 4.420 nan 0.000 0.218 400 P C 1.187 178.499 177.300 0.020 0.000 1.148 400 P CA 1.078 64.189 63.100 0.018 0.000 0.822 400 P CB 0.419 32.126 31.700 0.011 0.000 0.784 401 T N -1.269 113.314 114.554 0.048 0.000 2.770 401 T HA -0.082 4.268 4.350 -0.001 0.000 0.263 401 T C 1.979 176.679 174.700 0.000 0.000 1.039 401 T CA 1.642 63.770 62.100 0.047 0.000 1.142 401 T CB -0.863 68.082 68.868 0.128 0.000 0.868 401 T HN 0.084 nan 8.240 nan 0.000 0.435 402 S N 0.934 116.632 115.700 -0.002 0.000 2.382 402 S HA -0.066 4.403 4.470 -0.001 0.000 0.228 402 S C 2.323 176.881 174.600 -0.071 0.000 1.027 402 S CA 0.647 58.786 58.200 -0.102 0.000 0.991 402 S CB -0.465 62.664 63.200 -0.117 0.000 0.823 402 S HN 0.251 nan 8.310 nan 0.000 0.469 403 V N 2.039 121.934 119.914 -0.033 0.000 2.343 403 V HA -0.216 3.904 4.120 -0.001 0.000 0.247 403 V C 2.650 178.723 176.094 -0.033 0.000 1.051 403 V CA 1.721 64.002 62.300 -0.032 0.000 1.036 403 V CB -1.222 30.590 31.823 -0.017 0.000 0.654 403 V HN 0.541 nan 8.190 nan 0.000 0.451 404 A N -0.264 122.539 122.820 -0.027 0.000 1.902 404 A HA -0.166 4.154 4.320 -0.001 0.000 0.217 404 A C 2.406 179.968 177.584 -0.036 0.000 1.181 404 A CA 2.135 54.157 52.037 -0.026 0.000 0.623 404 A CB -0.705 18.285 19.000 -0.017 0.000 0.818 404 A HN 0.332 nan 8.150 nan 0.000 0.443 405 V N -0.153 119.729 119.914 -0.053 0.000 2.295 405 V HA -0.253 3.867 4.120 -0.001 0.000 0.246 405 V C 3.077 179.133 176.094 -0.063 0.000 1.049 405 V CA 1.967 64.227 62.300 -0.067 0.000 1.024 405 V CB -1.255 30.503 31.823 -0.109 0.000 0.648 405 V HN 0.624 nan 8.190 nan 0.000 0.447 406 A N 0.104 122.883 122.820 -0.067 0.000 1.908 406 A HA -0.259 4.061 4.320 -0.001 0.000 0.218 406 A C 2.112 179.668 177.584 -0.045 0.000 1.181 406 A CA 2.110 54.111 52.037 -0.060 0.000 0.627 406 A CB -0.677 18.285 19.000 -0.063 0.000 0.818 406 A HN 0.601 nan 8.150 nan 0.000 0.445 407 N N -0.586 118.091 118.700 -0.039 0.000 2.142 407 N HA -0.101 4.639 4.740 -0.001 0.000 0.186 407 N C 1.710 177.204 175.510 -0.027 0.000 1.023 407 N CA 1.871 54.903 53.050 -0.030 0.000 0.852 407 N CB -0.462 38.010 38.487 -0.025 0.000 0.998 407 N HN 0.483 nan 8.380 nan 0.000 0.424 408 T N 1.154 115.692 114.554 -0.028 0.000 2.821 408 T HA -0.023 4.326 4.350 -0.001 0.000 0.267 408 T C 1.982 176.667 174.700 -0.025 0.000 1.046 408 T CA 1.133 63.219 62.100 -0.024 0.000 1.139 408 T CB -0.195 68.659 68.868 -0.023 0.000 0.871 408 T HN 0.305 nan 8.240 nan 0.000 0.454 409 A N 1.504 124.306 122.820 -0.031 0.000 1.902 409 A HA 0.113 4.432 4.320 -0.001 0.000 0.217 409 A C 2.633 180.199 177.584 -0.029 0.000 1.181 409 A CA 1.870 53.889 52.037 -0.030 0.000 0.623 409 A CB -1.087 17.891 19.000 -0.036 0.000 0.818 409 A HN 0.506 nan 8.150 nan 0.000 0.443 410 A N -0.133 122.669 122.820 -0.030 0.000 1.930 410 A HA -0.154 4.166 4.320 -0.001 0.000 0.217 410 A C 1.761 179.331 177.584 -0.024 0.000 1.175 410 A CA 1.793 53.814 52.037 -0.028 0.000 0.627 410 A CB -0.581 18.402 19.000 -0.028 0.000 0.815 410 A HN 0.455 nan 8.150 nan 0.000 0.443 411 D N -0.174 120.213 120.400 -0.022 0.000 2.133 411 D HA -0.182 4.457 4.640 -0.001 0.000 0.195 411 D C 2.161 178.451 176.300 -0.018 0.000 0.997 411 D CA 1.546 55.535 54.000 -0.018 0.000 0.840 411 D CB -0.415 40.375 40.800 -0.016 0.000 0.947 411 D HN 0.607 nan 8.370 nan 0.000 0.452 412 Q N -0.221 119.568 119.800 -0.019 0.000 2.084 412 Q HA -0.073 4.267 4.340 -0.001 0.000 0.202 412 Q C 2.526 178.512 176.000 -0.023 0.000 0.978 412 Q CA 0.714 56.505 55.803 -0.019 0.000 0.844 412 Q CB -0.051 28.676 28.738 -0.018 0.000 0.898 412 Q HN 0.342 nan 8.270 nan 0.000 0.426 413 L N -0.115 121.092 121.223 -0.027 0.000 2.109 413 L HA -0.117 4.223 4.340 -0.001 0.000 0.207 413 L C 2.446 179.298 176.870 -0.031 0.000 1.086 413 L CA 0.839 55.658 54.840 -0.034 0.000 0.760 413 L CB -0.301 41.735 42.059 -0.039 0.000 0.910 413 L HN 0.108 nan 8.230 nan 0.000 0.437 414 R N -0.032 120.453 120.500 -0.025 0.000 2.115 414 R HA -0.104 4.236 4.340 -0.001 0.000 0.230 414 R C 1.929 178.219 176.300 -0.017 0.000 1.111 414 R CA 0.871 56.959 56.100 -0.020 0.000 0.976 414 R CB -0.358 29.932 30.300 -0.017 0.000 0.870 414 R HN 0.402 nan 8.270 nan 0.000 0.445 415 N N 0.643 119.332 118.700 -0.017 0.000 2.289 415 N HA -0.110 4.629 4.740 -0.001 0.000 0.184 415 N C 1.549 177.050 175.510 -0.015 0.000 1.016 415 N CA 1.372 54.414 53.050 -0.014 0.000 0.872 415 N CB 0.212 38.691 38.487 -0.013 0.000 0.973 415 N HN 0.177 nan 8.380 nan 0.000 0.433 416 V N -4.272 115.630 119.914 -0.020 0.000 3.542 416 V HA 0.514 4.634 4.120 -0.001 0.000 0.296 416 V C 1.100 177.181 176.094 -0.022 0.000 1.364 416 V CA 0.372 62.659 62.300 -0.022 0.000 1.118 416 V CB 0.086 31.891 31.823 -0.029 0.000 0.972 416 V HN 0.193 nan 8.190 nan 0.000 0.430 417 G N 0.837 109.626 108.800 -0.019 0.000 2.134 417 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.209 417 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.209 417 G C -0.162 174.727 174.900 -0.019 0.000 0.993 417 G CA 0.111 45.203 45.100 -0.013 0.000 0.669 417 G HN 0.575 nan 8.290 nan 0.000 0.519 418 I N 1.127 121.678 120.570 -0.032 0.000 2.365 418 I HA 0.229 4.398 4.170 -0.001 0.000 0.291 418 I C 0.224 176.326 176.117 -0.025 0.000 1.004 418 I CA -0.597 60.679 61.300 -0.040 0.000 1.311 418 I CB 1.269 39.229 38.000 -0.066 0.000 1.401 418 I HN 0.015 nan 8.210 nan 0.000 0.491 419 D N 6.702 127.092 120.400 -0.016 0.000 2.545 419 D HA 0.232 4.872 4.640 -0.001 0.000 0.227 419 D C -0.112 176.179 176.300 -0.016 0.000 1.150 419 D CA 0.034 54.028 54.000 -0.010 0.000 1.046 419 D CB 0.088 40.888 40.800 -0.001 0.000 1.098 419 D HN 0.533 nan 8.370 nan 0.000 0.502 420 A N 1.968 124.775 122.820 -0.021 0.000 2.306 420 A HA 0.693 5.013 4.320 -0.001 0.000 0.314 420 A C 0.031 177.602 177.584 -0.022 0.000 1.164 420 A CA -0.480 51.543 52.037 -0.024 0.000 0.822 420 A CB 0.911 19.894 19.000 -0.029 0.000 1.130 420 A HN 0.491 nan 8.150 nan 0.000 0.496 421 S N 0.032 115.718 115.700 -0.024 0.000 2.607 421 S HA 0.714 5.184 4.470 -0.001 0.000 0.273 421 S C -1.157 173.426 174.600 -0.029 0.000 1.148 421 S CA -0.686 57.499 58.200 -0.024 0.000 0.833 421 S CB 1.301 64.489 63.200 -0.020 0.000 1.130 421 S HN 0.908 nan 8.310 nan 0.000 0.470 422 V N 1.769 121.666 119.914 -0.030 0.000 2.417 422 V HA 0.550 4.670 4.120 -0.001 0.000 0.291 422 V C -1.010 175.062 176.094 -0.036 0.000 1.024 422 V CA -0.583 61.695 62.300 -0.036 0.000 0.861 422 V CB 1.179 32.981 31.823 -0.035 0.000 0.985 422 V HN 0.817 nan 8.190 nan 0.000 0.436 423 L N 5.496 126.693 121.223 -0.043 0.000 2.297 423 L HA 0.739 5.078 4.340 -0.001 0.000 0.277 423 L C 0.515 177.354 176.870 -0.051 0.000 1.040 423 L CA -0.192 54.622 54.840 -0.044 0.000 0.867 423 L CB 0.798 42.829 42.059 -0.046 0.000 1.244 423 L HN 0.730 nan 8.230 nan 0.000 0.433 424 A N 6.469 129.264 122.820 -0.042 0.000 2.347 424 A HA 0.652 4.971 4.320 -0.001 0.000 0.287 424 A C -0.632 176.928 177.584 -0.040 0.000 1.199 424 A CA -0.210 51.803 52.037 -0.041 0.000 0.851 424 A CB -0.136 18.846 19.000 -0.029 0.000 1.118 424 A HN 0.713 nan 8.150 nan 0.000 0.525 425 L N 1.642 122.835 121.223 -0.050 0.000 2.323 425 L HA 0.425 4.765 4.340 -0.001 0.000 0.265 425 L C -0.152 176.698 176.870 -0.034 0.000 1.012 425 L CA -1.141 53.671 54.840 -0.046 0.000 0.820 425 L CB 2.087 44.106 42.059 -0.066 0.000 1.334 425 L HN 0.870 nan 8.230 nan 0.000 0.427 426 D N -0.002 120.386 120.400 -0.021 0.000 2.414 426 D HA 0.082 4.722 4.640 -0.001 0.000 0.242 426 D C -2.097 174.204 176.300 0.001 0.000 1.129 426 D CA -1.088 52.908 54.000 -0.006 0.000 0.885 426 D CB 0.723 41.523 40.800 0.000 0.000 1.198 426 D HN 0.174 nan 8.370 nan 0.000 0.437 427 P HA -0.185 nan 4.420 nan 0.000 0.216 427 P C 1.407 178.780 177.300 0.123 0.000 1.150 427 P CA 0.617 63.766 63.100 0.081 0.000 0.837 427 P CB 0.112 31.866 31.700 0.090 0.000 0.786 428 V N 0.161 120.123 119.914 0.080 0.000 2.358 428 V HA -0.216 3.904 4.120 -0.001 0.000 0.246 428 V C 2.518 178.648 176.094 0.061 0.000 1.047 428 V CA 2.155 64.505 62.300 0.084 0.000 1.035 428 V CB -1.752 30.104 31.823 0.055 0.000 0.658 428 V HN 0.097 nan 8.190 nan 0.000 0.452 429 A N -0.095 122.738 122.820 0.022 0.000 1.933 429 A HA -0.200 4.120 4.320 -0.001 0.000 0.218 429 A C 2.162 179.723 177.584 -0.038 0.000 1.175 429 A CA 2.076 54.110 52.037 -0.005 0.000 0.628 429 A CB -0.558 18.433 19.000 -0.015 0.000 0.814 429 A HN 0.458 nan 8.150 nan 0.000 0.444 430 L N -1.415 119.760 121.223 -0.081 0.000 1.970 430 L HA -0.161 4.179 4.340 -0.001 0.000 0.212 430 L C 2.243 178.940 176.870 -0.288 0.000 1.071 430 L CA 2.138 56.838 54.840 -0.234 0.000 0.751 430 L CB -0.762 41.073 42.059 -0.373 0.000 0.889 430 L HN 0.479 nan 8.230 nan 0.000 0.432 431 Y N -1.193 119.098 120.300 -0.014 0.000 2.490 431 Y HA 0.180 4.730 4.550 -0.001 0.000 0.285 431 Y C 2.265 178.154 175.900 -0.019 0.000 1.117 431 Y CA 0.629 58.719 58.100 -0.017 0.000 1.262 431 Y CB -0.315 38.137 38.460 -0.013 0.000 1.043 431 Y HN 0.264 nan 8.280 nan 0.000 0.553 432 G N -0.968 107.896 108.800 0.107 0.000 2.559 432 G HA2 -0.117 3.842 3.960 -0.001 0.000 0.209 432 G HA3 -0.117 3.842 3.960 -0.001 0.000 0.209 432 G C 0.860 175.773 174.900 0.021 0.000 1.151 432 G CA 0.904 46.038 45.100 0.058 0.000 0.824 432 G HN 0.348 nan 8.290 nan 0.000 0.543 433 D N -0.310 120.093 120.400 0.005 0.000 2.615 433 D HA 0.255 4.895 4.640 -0.001 0.000 0.259 433 D C 2.553 178.841 176.300 -0.020 0.000 0.999 433 D CA 0.880 54.875 54.000 -0.008 0.000 0.938 433 D CB -0.062 40.733 40.800 -0.009 0.000 1.121 433 D HN 0.125 nan 8.370 nan 0.000 0.487 434 A N 0.525 123.322 122.820 -0.038 0.000 1.933 434 A HA -0.028 4.291 4.320 -0.001 0.000 0.218 434 A C 2.223 179.779 177.584 -0.047 0.000 1.175 434 A CA 0.960 52.966 52.037 -0.051 0.000 0.628 434 A CB -0.701 18.249 19.000 -0.083 0.000 0.814 434 A HN 0.355 nan 8.150 nan 0.000 0.444 435 L N -1.100 120.098 121.223 -0.042 0.000 2.068 435 L HA -0.072 4.267 4.340 -0.001 0.000 0.204 435 L C 2.492 179.354 176.870 -0.013 0.000 1.076 435 L CA 0.755 55.580 54.840 -0.026 0.000 0.753 435 L CB -0.670 41.386 42.059 -0.004 0.000 0.910 435 L HN 0.208 nan 8.230 nan 0.000 0.439 436 V N 0.354 120.264 119.914 -0.007 0.000 2.392 436 V HA -0.242 3.877 4.120 -0.001 0.000 0.249 436 V C 1.640 177.728 176.094 -0.010 0.000 1.059 436 V CA 1.626 63.923 62.300 -0.006 0.000 1.051 436 V CB -0.462 31.358 31.823 -0.005 0.000 0.658 436 V HN 0.478 nan 8.190 nan 0.000 0.455 437 N N 0.251 118.944 118.700 -0.013 0.000 2.235 437 N HA 0.063 4.803 4.740 -0.001 0.000 0.209 437 N C 0.123 175.624 175.510 -0.014 0.000 1.122 437 N CA 0.052 53.094 53.050 -0.013 0.000 0.845 437 N CB -0.009 38.471 38.487 -0.013 0.000 1.004 437 N HN 0.449 nan 8.380 nan 0.000 0.499 438 N N 0.652 119.342 118.700 -0.017 0.000 2.740 438 N HA -0.205 4.534 4.740 -0.001 0.000 0.248 438 N C 0.539 176.037 175.510 -0.020 0.000 1.062 438 N CA 0.415 53.455 53.050 -0.017 0.000 0.704 438 N CB -1.054 37.426 38.487 -0.011 0.000 0.968 438 N HN 0.448 nan 8.380 nan 0.000 0.547 439 R N -0.377 120.106 120.500 -0.027 0.000 2.275 439 R HA 0.072 4.412 4.340 -0.001 0.000 0.199 439 R C 1.040 177.319 176.300 -0.035 0.000 0.989 439 R CA 0.799 56.882 56.100 -0.029 0.000 1.016 439 R CB 0.430 30.711 30.300 -0.032 0.000 0.918 439 R HN 0.313 nan 8.270 nan 0.000 0.473 440 V N -3.111 116.779 119.914 -0.041 0.000 3.001 440 V HA 0.377 4.496 4.120 -0.001 0.000 0.314 440 V C -0.364 175.708 176.094 -0.037 0.000 1.099 440 V CA -0.946 61.326 62.300 -0.046 0.000 0.989 440 V CB 2.437 34.218 31.823 -0.069 0.000 1.040 440 V HN -0.146 nan 8.190 nan 0.000 0.434 441 D N 1.071 121.450 120.400 -0.035 0.000 2.417 441 D HA 0.542 5.181 4.640 -0.001 0.000 0.207 441 D C 0.554 176.836 176.300 -0.030 0.000 1.075 441 D CA 1.232 55.217 54.000 -0.026 0.000 0.851 441 D CB 1.531 42.319 40.800 -0.019 0.000 0.976 441 D HN 0.999 nan 8.370 nan 0.000 0.505 442 A N 0.127 122.921 122.820 -0.043 0.000 2.606 442 A HA 0.627 4.947 4.320 -0.001 0.000 0.293 442 A C -1.424 176.119 177.584 -0.068 0.000 1.082 442 A CA -0.544 51.464 52.037 -0.047 0.000 0.685 442 A CB 1.774 20.748 19.000 -0.042 0.000 1.284 442 A HN -0.111 nan 8.150 nan 0.000 0.408 443 V N 0.682 120.554 119.914 -0.069 0.000 2.588 443 V HA 0.580 4.700 4.120 -0.001 0.000 0.304 443 V C -0.732 175.313 176.094 -0.081 0.000 1.042 443 V CA -0.560 61.684 62.300 -0.093 0.000 0.877 443 V CB 1.763 33.527 31.823 -0.097 0.000 0.996 443 V HN 0.753 nan 8.190 nan 0.000 0.425 444 V N 3.531 123.386 119.914 -0.099 0.000 2.417 444 V HA 1.012 5.132 4.120 -0.001 0.000 0.291 444 V C 0.520 176.540 176.094 -0.124 0.000 1.024 444 V CA 0.286 62.515 62.300 -0.118 0.000 0.861 444 V CB 1.150 32.897 31.823 -0.126 0.000 0.985 444 V HN 1.160 nan 8.190 nan 0.000 0.436 445 G N 3.063 111.767 108.800 -0.160 0.000 2.430 445 G HA2 0.447 4.407 3.960 -0.001 0.000 0.300 445 G HA3 0.447 4.407 3.960 -0.001 0.000 0.300 445 G C -2.261 172.518 174.900 -0.202 0.000 1.330 445 G CA -0.830 44.188 45.100 -0.136 0.000 0.813 445 G HN 0.489 nan 8.290 nan 0.000 0.487 446 W N 0.286 121.611 121.300 0.042 0.000 2.381 446 W HA 0.784 5.444 4.660 -0.000 0.000 0.329 446 W C 0.801 177.326 176.519 0.009 0.000 1.157 446 W CA -0.506 56.850 57.345 0.019 0.000 1.240 446 W CB 1.358 30.822 29.460 0.006 0.000 1.199 446 W HN 0.259 nan 8.180 nan 0.000 0.579 447 R N 0.990 121.655 120.500 0.276 0.000 2.807 447 R HA 0.263 4.602 4.340 -0.001 0.000 0.276 447 R C -0.617 175.774 176.300 0.151 0.000 0.979 447 R CA -1.344 54.846 56.100 0.150 0.000 0.928 447 R CB 2.044 32.393 30.300 0.081 0.000 1.191 447 R HN 0.508 nan 8.270 nan 0.000 0.471 448 Q N 1.148 121.004 119.800 0.093 0.000 2.361 448 Q HA 0.302 4.641 4.340 -0.001 0.000 0.276 448 Q C -1.213 174.842 176.000 0.092 0.000 1.022 448 Q CA 0.037 55.889 55.803 0.081 0.000 0.898 448 Q CB 0.942 29.720 28.738 0.068 0.000 1.246 448 Q HN 0.656 nan 8.270 nan 0.000 0.410 449 A N 2.411 125.283 122.820 0.087 0.000 2.350 449 A HA 0.702 5.021 4.320 -0.001 0.000 0.324 449 A C 0.531 178.168 177.584 0.088 0.000 1.118 449 A CA 0.109 52.197 52.037 0.084 0.000 0.783 449 A CB 1.248 20.292 19.000 0.073 0.000 1.236 449 A HN 1.192 nan 8.150 nan 0.000 0.457 450 G N 0.633 109.492 108.800 0.098 0.000 2.179 450 G HA2 0.100 4.060 3.960 -0.001 0.000 0.220 450 G HA3 0.100 4.060 3.960 -0.001 0.000 0.220 450 G C 0.717 175.726 174.900 0.182 0.000 0.990 450 G CA 0.311 45.485 45.100 0.124 0.000 0.646 450 G HN 1.828 nan 8.290 nan 0.000 0.517 451 G N -0.337 108.552 108.800 0.148 0.000 2.477 451 G HA2 0.515 4.474 3.960 -0.001 0.000 0.304 451 G HA3 0.515 4.474 3.960 -0.001 0.000 0.304 451 G C -0.229 174.727 174.900 0.094 0.000 1.175 451 G CA 0.305 45.483 45.100 0.130 0.000 0.907 451 G HN 0.472 nan 8.290 nan 0.000 0.509 452 D N -0.257 120.167 120.400 0.039 0.000 2.658 452 D HA -0.076 4.563 4.640 -0.001 0.000 0.230 452 D C 1.587 177.916 176.300 0.048 0.000 1.118 452 D CA 0.220 54.228 54.000 0.013 0.000 0.848 452 D CB 0.462 41.229 40.800 -0.054 0.000 1.160 452 D HN 0.174 nan 8.370 nan 0.000 0.497 453 L N 3.799 125.051 121.223 0.049 0.000 2.109 453 L HA -0.082 4.257 4.340 -0.001 0.000 0.207 453 L C 2.446 179.356 176.870 0.068 0.000 1.086 453 L CA 1.043 55.922 54.840 0.065 0.000 0.760 453 L CB -0.490 41.607 42.059 0.063 0.000 0.910 453 L HN 0.597 nan 8.230 nan 0.000 0.437 454 A N -0.215 122.637 122.820 0.053 0.000 1.933 454 A HA -0.190 4.130 4.320 -0.001 0.000 0.218 454 A C 2.364 180.006 177.584 0.097 0.000 1.175 454 A CA 2.315 54.391 52.037 0.065 0.000 0.628 454 A CB -0.851 18.177 19.000 0.047 0.000 0.814 454 A HN 0.373 nan 8.150 nan 0.000 0.444 455 T N -0.448 114.174 114.554 0.114 0.000 2.821 455 T HA -0.091 4.259 4.350 -0.001 0.000 0.267 455 T C 1.877 176.633 174.700 0.094 0.000 1.046 455 T CA 1.381 63.559 62.100 0.130 0.000 1.139 455 T CB -0.392 68.575 68.868 0.166 0.000 0.871 455 T HN 0.148 nan 8.240 nan 0.000 0.454 456 V N 1.669 121.638 119.914 0.091 0.000 2.255 456 V HA -0.151 3.968 4.120 -0.001 0.000 0.247 456 V C 2.408 178.577 176.094 0.125 0.000 1.051 456 V CA 1.597 63.953 62.300 0.092 0.000 1.018 456 V CB -0.688 31.197 31.823 0.104 0.000 0.641 456 V HN 0.340 nan 8.190 nan 0.000 0.445 457 L N 0.738 122.055 121.223 0.156 0.000 2.017 457 L HA -0.095 4.245 4.340 -0.001 0.000 0.208 457 L C 2.436 179.426 176.870 0.200 0.000 1.073 457 L CA 2.515 57.492 54.840 0.228 0.000 0.745 457 L CB -1.064 41.073 42.059 0.130 0.000 0.894 457 L HN 0.224 nan 8.230 nan 0.000 0.432 458 A N -1.318 121.573 122.820 0.117 0.000 1.877 458 A HA -0.197 4.122 4.320 -0.001 0.000 0.216 458 A C 2.370 179.982 177.584 0.046 0.000 1.186 458 A CA 2.090 54.175 52.037 0.081 0.000 0.620 458 A CB -1.077 17.962 19.000 0.065 0.000 0.822 458 A HN 0.554 nan 8.150 nan 0.000 0.443 459 S N -0.431 115.285 115.700 0.027 0.000 2.370 459 S HA -0.166 4.304 4.470 -0.001 0.000 0.226 459 S C 2.056 176.602 174.600 -0.090 0.000 1.033 459 S CA 1.674 59.862 58.200 -0.019 0.000 1.011 459 S CB -0.263 62.930 63.200 -0.011 0.000 0.852 459 S HN 0.644 nan 8.310 nan 0.000 0.457 460 R N -1.033 119.364 120.500 -0.172 0.000 2.189 460 R HA 0.159 4.499 4.340 -0.001 0.000 0.203 460 R C 1.003 176.925 176.300 -0.630 0.000 1.012 460 R CA 0.771 56.586 56.100 -0.475 0.000 1.015 460 R CB 0.032 29.886 30.300 -0.742 0.000 0.938 460 R HN 0.475 nan 8.270 nan 0.000 0.472 461 Y N -0.773 119.518 120.300 -0.016 0.000 2.448 461 Y HA 0.331 4.880 4.550 -0.001 0.000 0.257 461 Y C 1.241 177.135 175.900 -0.010 0.000 1.089 461 Y CA -0.553 57.535 58.100 -0.020 0.000 1.245 461 Y CB 0.472 38.913 38.460 -0.032 0.000 1.282 461 Y HN -0.038 nan 8.280 nan 0.000 0.529 462 G N -0.434 108.431 108.800 0.109 0.000 2.544 462 G HA2 0.115 4.074 3.960 -0.001 0.000 0.242 462 G HA3 0.115 4.074 3.960 -0.001 0.000 0.242 462 G C 0.630 175.556 174.900 0.043 0.000 1.247 462 G CA -0.189 44.954 45.100 0.072 0.000 0.840 462 G HN 0.412 nan 8.290 nan 0.000 0.578 463 c N 0.343 118.966 118.600 0.038 0.000 2.467 463 c HA 0.026 4.596 4.570 -0.001 0.000 0.279 463 c C 2.860 176.959 174.090 0.016 0.000 1.347 463 c CA 0.221 56.565 56.329 0.026 0.000 1.748 463 c CB -0.805 41.719 42.510 0.025 0.000 1.977 463 c HN 0.844 nan 8.230 nan 0.000 0.501 464 R N 1.488 121.998 120.500 0.016 0.000 2.148 464 R HA -0.006 4.334 4.340 -0.001 0.000 0.227 464 R C 1.931 178.232 176.300 0.002 0.000 1.103 464 R CA 1.335 57.441 56.100 0.010 0.000 0.983 464 R CB -0.282 30.026 30.300 0.013 0.000 0.874 464 R HN 0.479 nan 8.270 nan 0.000 0.451 465 A N 0.502 123.322 122.820 0.000 0.000 2.302 465 A HA 0.121 4.440 4.320 -0.001 0.000 0.219 465 A C 0.341 177.915 177.584 -0.017 0.000 1.243 465 A CA 0.035 52.065 52.037 -0.013 0.000 0.856 465 A CB -0.012 18.977 19.000 -0.018 0.000 0.893 465 A HN 0.042 nan 8.150 nan 0.000 0.491 517 A N 2.851 125.618 122.820 -0.088 0.000 2.404 517 A HA 0.573 4.893 4.320 -0.001 0.000 0.273 517 A C -1.907 175.645 177.584 -0.054 0.000 1.144 517 A CA -0.891 51.107 52.037 -0.064 0.000 0.806 517 A CB -0.141 18.817 19.000 -0.069 0.000 1.080 517 A HN 0.221 nan 8.150 nan 0.000 0.509 518 P HA 0.061 nan 4.420 nan 0.000 0.267 518 P C 0.672 177.951 177.300 -0.036 0.000 1.205 518 P CA 0.168 63.249 63.100 -0.032 0.000 0.765 518 P CB 1.079 32.767 31.700 -0.020 0.000 0.828 519 S N 1.120 116.791 115.700 -0.047 0.000 2.486 519 S HA -0.026 4.444 4.470 -0.001 0.000 0.220 519 S C 0.909 175.463 174.600 -0.077 0.000 1.011 519 S CA -0.129 58.034 58.200 -0.062 0.000 0.921 519 S CB -0.412 62.751 63.200 -0.062 0.000 0.785 519 S HN 0.432 nan 8.310 nan 0.000 0.517 520 N N 2.603 121.261 118.700 -0.070 0.000 2.482 520 N HA 0.186 4.926 4.740 -0.001 0.000 0.242 520 N C 0.488 175.964 175.510 -0.055 0.000 1.100 520 N CA -0.514 52.483 53.050 -0.089 0.000 0.946 520 N CB 0.332 38.780 38.487 -0.064 0.000 1.227 520 N HN 0.655 nan 8.380 nan 0.000 0.508 521 I N -0.067 120.470 120.570 -0.055 0.000 3.812 521 I HA 0.175 4.344 4.170 -0.001 0.000 0.320 521 I C 0.966 177.070 176.117 -0.022 0.000 1.276 521 I CA -0.156 61.135 61.300 -0.015 0.000 1.164 521 I CB 0.051 38.071 38.000 0.033 0.000 1.009 521 I HN 0.118 nan 8.210 nan 0.000 0.431 522 T N 1.225 115.756 114.554 -0.038 0.000 2.985 522 T HA 0.125 4.474 4.350 -0.001 0.000 0.266 522 T C 1.687 176.384 174.700 -0.004 0.000 1.076 522 T CA 1.587 63.674 62.100 -0.022 0.000 1.135 522 T CB -0.207 68.649 68.868 -0.021 0.000 0.890 522 T HN 0.800 nan 8.240 nan 0.000 0.480 523 G N 1.325 110.122 108.800 -0.005 0.000 2.217 523 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.246 523 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.246 523 G C 0.221 175.127 174.900 0.010 0.000 0.990 523 G CA 0.347 45.448 45.100 0.002 0.000 0.627 523 G HN 0.729 nan 8.290 nan 0.000 0.522 524 I N -2.102 118.478 120.570 0.017 0.000 3.174 524 I HA 0.856 5.026 4.170 -0.001 0.000 0.313 524 I C 0.248 176.389 176.117 0.040 0.000 1.155 524 I CA -1.017 60.299 61.300 0.026 0.000 0.977 524 I CB 2.077 40.095 38.000 0.030 0.000 1.248 524 I HN 0.682 nan 8.210 nan 0.000 0.453 525 c N 0.249 118.874 118.600 0.042 0.000 3.236 525 c HA 0.651 5.220 4.570 -0.001 0.000 0.312 525 c C -1.116 173.001 174.090 0.045 0.000 1.374 525 c CA -0.582 55.781 56.329 0.056 0.000 1.455 525 c CB 1.587 44.127 42.510 0.050 0.000 1.834 525 c HN 0.897 nan 8.230 nan 0.000 0.460 526 D N 0.624 121.050 120.400 0.044 0.000 2.412 526 D HA 0.325 4.965 4.640 -0.001 0.000 0.224 526 D C 1.136 177.451 176.300 0.025 0.000 1.093 526 D CA -0.257 53.760 54.000 0.029 0.000 0.850 526 D CB 0.954 41.766 40.800 0.020 0.000 1.046 526 D HN 0.482 nan 8.370 nan 0.000 0.507 527 R N 1.590 122.104 120.500 0.022 0.000 2.105 527 R HA -0.109 4.231 4.340 -0.001 0.000 0.239 527 R C 1.882 178.192 176.300 0.016 0.000 1.135 527 R CA 1.146 57.258 56.100 0.019 0.000 0.967 527 R CB -0.567 29.744 30.300 0.017 0.000 0.861 527 R HN 0.521 nan 8.270 nan 0.000 0.442 528 S N 0.711 116.419 115.700 0.014 0.000 2.474 528 S HA -0.076 4.394 4.470 -0.001 0.000 0.235 528 S C 1.943 176.549 174.600 0.009 0.000 0.997 528 S CA 0.984 59.191 58.200 0.011 0.000 0.949 528 S CB -0.466 62.740 63.200 0.010 0.000 0.766 528 S HN 0.535 nan 8.310 nan 0.000 0.517 529 I N -2.041 118.534 120.570 0.010 0.000 3.860 529 I HA 0.310 4.480 4.170 -0.001 0.000 0.319 529 I C 2.212 178.337 176.117 0.012 0.000 1.279 529 I CA 0.115 61.419 61.300 0.006 0.000 1.220 529 I CB -0.238 37.759 38.000 -0.004 0.000 1.027 529 I HN 0.097 nan 8.210 nan 0.000 0.428 530 Q N 2.693 122.504 119.800 0.018 0.000 2.112 530 Q HA -0.099 4.241 4.340 -0.001 0.000 0.206 530 Q C -0.530 175.481 176.000 0.019 0.000 0.987 530 Q CA 2.547 58.363 55.803 0.022 0.000 0.858 530 Q CB -1.483 27.269 28.738 0.023 0.000 0.905 530 Q HN 0.365 nan 8.270 nan 0.000 0.420 531 P HA -0.139 nan 4.420 nan 0.000 0.218 531 P C 0.783 178.090 177.300 0.011 0.000 1.148 531 P CA 1.236 64.343 63.100 0.012 0.000 0.822 531 P CB 0.012 31.717 31.700 0.009 0.000 0.784 532 R N -0.580 119.926 120.500 0.010 0.000 2.075 532 R HA 0.015 4.355 4.340 -0.001 0.000 0.232 532 R C 2.340 178.649 176.300 0.014 0.000 1.126 532 R CA 1.034 57.139 56.100 0.009 0.000 0.963 532 R CB -1.319 28.984 30.300 0.005 0.000 0.858 532 R HN 0.303 nan 8.270 nan 0.000 0.435 533 I N 1.301 121.883 120.570 0.020 0.000 2.163 533 I HA -0.298 3.872 4.170 -0.001 0.000 0.243 533 I C 1.708 177.845 176.117 0.032 0.000 1.085 533 I CA 1.461 62.780 61.300 0.032 0.000 1.347 533 I CB -0.441 37.585 38.000 0.043 0.000 1.044 533 I HN 0.072 nan 8.210 nan 0.000 0.408 534 D N 1.155 121.571 120.400 0.026 0.000 2.123 534 D HA -0.166 4.474 4.640 -0.001 0.000 0.196 534 D C 2.226 178.536 176.300 0.017 0.000 0.992 534 D CA 1.698 55.712 54.000 0.023 0.000 0.833 534 D CB -0.205 40.606 40.800 0.018 0.000 0.954 534 D HN 0.375 nan 8.370 nan 0.000 0.455 535 A N 0.849 123.675 122.820 0.011 0.000 1.969 535 A HA 0.050 4.370 4.320 -0.001 0.000 0.218 535 A C 2.282 179.867 177.584 0.001 0.000 1.169 535 A CA 1.878 53.916 52.037 0.003 0.000 0.635 535 A CB -0.489 18.512 19.000 0.002 0.000 0.810 535 A HN 0.233 nan 8.150 nan 0.000 0.445 536 A N -0.578 122.247 122.820 0.009 0.000 1.898 536 A HA 0.028 4.348 4.320 -0.001 0.000 0.216 536 A C 2.086 179.678 177.584 0.013 0.000 1.181 536 A CA 1.572 53.615 52.037 0.009 0.000 0.620 536 A CB -0.542 18.469 19.000 0.018 0.000 0.819 536 A HN 0.547 nan 8.150 nan 0.000 0.442 537 L N 0.779 122.024 121.223 0.036 0.000 2.093 537 L HA -0.127 4.213 4.340 -0.001 0.000 0.208 537 L C 1.740 178.649 176.870 0.064 0.000 1.085 537 L CA 2.457 57.344 54.840 0.078 0.000 0.755 537 L CB -0.414 41.704 42.059 0.097 0.000 0.904 537 L HN 0.614 nan 8.230 nan 0.000 0.435 538 D N -1.580 118.827 120.400 0.012 0.000 2.349 538 D HA 0.112 4.751 4.640 -0.001 0.000 0.215 538 D C 1.536 177.789 176.300 -0.078 0.000 1.016 538 D CA 0.696 54.670 54.000 -0.044 0.000 0.870 538 D CB -0.240 40.531 40.800 -0.048 0.000 0.917 538 D HN 0.321 nan 8.370 nan 0.000 0.524 539 G N 0.143 108.910 108.800 -0.054 0.000 2.136 539 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.242 539 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.242 539 G C 0.984 175.860 174.900 -0.041 0.000 0.989 539 G CA 0.882 45.947 45.100 -0.058 0.000 0.682 539 G HN 0.608 nan 8.290 nan 0.000 0.522 540 T N -3.525 111.010 114.554 -0.031 0.000 3.100 540 T HA 0.356 4.706 4.350 -0.001 0.000 0.253 540 T C 0.415 175.107 174.700 -0.013 0.000 1.118 540 T CA 0.906 62.993 62.100 -0.021 0.000 1.058 540 T CB 0.833 69.691 68.868 -0.018 0.000 0.953 540 T HN 0.275 nan 8.240 nan 0.000 0.515 541 D N 1.115 121.508 120.400 -0.012 0.000 2.780 541 D HA 0.267 4.907 4.640 -0.001 0.000 0.242 541 D C -1.414 174.882 176.300 -0.008 0.000 1.135 541 D CA -0.585 53.411 54.000 -0.007 0.000 0.859 541 D CB 2.043 42.841 40.800 -0.003 0.000 1.530 541 D HN 0.002 nan 8.370 nan 0.000 0.493 542 D N 2.715 123.112 120.400 -0.005 0.000 2.417 542 D HA -0.048 4.592 4.640 -0.001 0.000 0.250 542 D C 1.390 177.689 176.300 -0.001 0.000 1.166 542 D CA -0.288 53.709 54.000 -0.004 0.000 0.881 542 D CB 1.025 41.824 40.800 -0.002 0.000 1.164 542 D HN 0.336 nan 8.370 nan 0.000 0.467 543 I N 4.852 125.422 120.570 0.000 0.000 2.361 543 I HA -0.208 3.962 4.170 -0.001 0.000 0.251 543 I C 2.051 178.175 176.117 0.012 0.000 1.133 543 I CA 1.560 62.864 61.300 0.007 0.000 1.413 543 I CB -0.257 37.748 38.000 0.009 0.000 1.073 543 I HN 0.511 nan 8.210 nan 0.000 0.424 544 A N -0.091 122.736 122.820 0.011 0.000 1.933 544 A HA -0.199 4.120 4.320 -0.001 0.000 0.218 544 A C 1.991 179.580 177.584 0.007 0.000 1.175 544 A CA 2.014 54.058 52.037 0.012 0.000 0.628 544 A CB -0.804 18.203 19.000 0.012 0.000 0.814 544 A HN 0.494 nan 8.150 nan 0.000 0.444 545 D N -0.266 120.137 120.400 0.004 0.000 2.144 545 D HA -0.075 4.565 4.640 -0.001 0.000 0.200 545 D C 2.102 178.403 176.300 0.002 0.000 0.978 545 D CA 1.309 55.310 54.000 0.002 0.000 0.833 545 D CB -0.422 40.379 40.800 0.001 0.000 0.961 545 D HN 0.235 nan 8.370 nan 0.000 0.470 546 V N 1.529 121.444 119.914 0.003 0.000 2.261 546 V HA -0.217 3.902 4.120 -0.001 0.000 0.246 546 V C 2.595 178.687 176.094 -0.002 0.000 1.047 546 V CA 1.126 63.426 62.300 0.001 0.000 1.015 546 V CB -0.381 31.445 31.823 0.005 0.000 0.642 546 V HN 0.148 nan 8.190 nan 0.000 0.446 547 I N -0.087 120.484 120.570 0.001 0.000 2.127 547 I HA -0.369 3.800 4.170 -0.001 0.000 0.241 547 I C 2.711 178.828 176.117 -0.001 0.000 1.075 547 I CA 2.217 63.516 61.300 -0.001 0.000 1.334 547 I CB -0.491 37.517 38.000 0.013 0.000 1.040 547 I HN 0.384 nan 8.210 nan 0.000 0.405 548 Q N 1.322 121.123 119.800 0.002 0.000 2.096 548 Q HA -0.271 4.069 4.340 -0.001 0.000 0.208 548 Q C 2.075 178.076 176.000 0.002 0.000 0.993 548 Q CA 2.785 58.589 55.803 0.001 0.000 0.862 548 Q CB -0.299 28.438 28.738 -0.002 0.000 0.915 548 Q HN 0.530 nan 8.270 nan 0.000 0.416 549 A N -0.382 122.438 122.820 -0.001 0.000 1.968 549 A HA -0.016 4.303 4.320 -0.001 0.000 0.217 549 A C 2.060 179.642 177.584 -0.003 0.000 1.169 549 A CA 1.441 53.478 52.037 -0.001 0.000 0.638 549 A CB -0.465 18.535 19.000 -0.002 0.000 0.812 549 A HN 0.578 nan 8.150 nan 0.000 0.446 550 V N -3.916 115.991 119.914 -0.012 0.000 3.431 550 V HA 0.081 4.201 4.120 -0.001 0.000 0.253 550 V C 1.682 177.753 176.094 -0.039 0.000 1.184 550 V CA 0.986 63.268 62.300 -0.030 0.000 1.104 550 V CB -0.347 31.446 31.823 -0.051 0.000 0.799 550 V HN 0.316 nan 8.190 nan 0.000 0.462 551 E N 1.659 121.853 120.200 -0.010 0.000 2.070 551 E HA -0.166 4.184 4.350 -0.001 0.000 0.197 551 E C 0.189 176.887 176.600 0.162 0.000 1.004 551 E CA 2.427 58.853 56.400 0.043 0.000 0.805 551 E CB -1.689 28.082 29.700 0.118 0.000 0.744 551 E HN 0.544 nan 8.360 nan 0.000 0.451 552 P HA -0.128 nan 4.420 nan 0.000 0.216 552 P C 1.336 178.707 177.300 0.118 0.000 1.150 552 P CA 1.253 64.438 63.100 0.141 0.000 0.837 552 P CB -0.035 31.701 31.700 0.060 0.000 0.786 553 R N -0.716 119.814 120.500 0.049 0.000 2.115 553 R HA 0.008 4.347 4.340 -0.001 0.000 0.230 553 R C 2.308 178.603 176.300 -0.009 0.000 1.111 553 R CA 0.992 57.104 56.100 0.020 0.000 0.976 553 R CB -1.374 28.923 30.300 -0.004 0.000 0.870 553 R HN 0.323 nan 8.270 nan 0.000 0.445 554 L N -1.511 119.659 121.223 -0.088 0.000 2.027 554 L HA -0.134 4.205 4.340 -0.001 0.000 0.206 554 L C 2.309 179.084 176.870 -0.159 0.000 1.074 554 L CA 1.334 56.024 54.840 -0.251 0.000 0.745 554 L CB -0.530 41.181 42.059 -0.579 0.000 0.898 554 L HN 0.173 nan 8.230 nan 0.000 0.433 555 W N 0.301 121.559 121.300 -0.070 0.000 2.363 555 W HA -0.175 4.485 4.660 -0.001 0.000 0.296 555 W C 2.478 178.990 176.519 -0.011 0.000 1.212 555 W CA 1.035 58.364 57.345 -0.027 0.000 1.260 555 W CB -0.425 29.019 29.460 -0.028 0.000 1.131 555 W HN 0.186 nan 8.180 nan 0.000 0.530 556 N N -0.005 118.817 118.700 0.203 0.000 2.381 556 N HA -0.122 4.617 4.740 -0.001 0.000 0.182 556 N C 1.600 177.162 175.510 0.087 0.000 1.025 556 N CA 1.134 54.258 53.050 0.124 0.000 0.888 556 N CB -0.308 38.229 38.487 0.083 0.000 0.965 556 N HN 0.069 nan 8.380 nan 0.000 0.438 557 M N -0.256 119.387 119.600 0.071 0.000 2.460 557 M HA 0.055 4.535 4.480 -0.001 0.000 0.263 557 M C 0.621 176.959 176.300 0.064 0.000 1.071 557 M CA 0.748 56.083 55.300 0.058 0.000 1.096 557 M CB -0.102 32.529 32.600 0.052 0.000 1.408 557 M HN 0.203 nan 8.290 nan 0.000 0.463 558 A N 1.129 124.000 122.820 0.085 0.000 2.610 558 A HA -0.196 4.124 4.320 -0.001 0.000 0.299 558 A C 1.069 178.689 177.584 0.061 0.000 1.487 558 A CA 1.157 53.249 52.037 0.090 0.000 0.743 558 A CB -2.317 16.732 19.000 0.082 0.000 1.070 558 A HN 0.673 nan 8.150 nan 0.000 0.439 559 T N -4.262 110.322 114.554 0.050 0.000 2.955 559 T HA 0.487 4.837 4.350 -0.001 0.000 0.251 559 T C 0.319 175.029 174.700 0.017 0.000 1.002 559 T CA 0.570 62.690 62.100 0.034 0.000 0.970 559 T CB 0.442 69.335 68.868 0.041 0.000 1.091 559 T HN 1.009 nan 8.240 nan 0.000 0.495 560 V N 2.371 122.288 119.914 0.005 0.000 2.483 560 V HA 0.646 4.766 4.120 -0.001 0.000 0.297 560 V C -1.288 174.763 176.094 -0.071 0.000 1.027 560 V CA -0.994 61.286 62.300 -0.032 0.000 0.855 560 V CB 1.848 33.670 31.823 -0.003 0.000 0.995 560 V HN 0.377 nan 8.190 nan 0.000 0.424 561 L N 8.734 129.945 121.223 -0.020 0.000 2.337 561 L HA 0.650 4.989 4.340 -0.001 0.000 0.269 561 L C -2.582 174.298 176.870 0.017 0.000 1.018 561 L CA -1.837 53.026 54.840 0.039 0.000 0.876 561 L CB 1.406 43.509 42.059 0.073 0.000 1.236 561 L HN 0.371 nan 8.230 nan 0.000 0.436 562 P HA 0.217 nan 4.420 nan 0.000 0.268 562 P C 0.302 177.645 177.300 0.072 0.000 1.204 562 P CA 0.284 63.409 63.100 0.041 0.000 0.768 562 P CB 1.044 32.789 31.700 0.076 0.000 0.842 563 I N 2.359 122.939 120.570 0.018 0.000 3.341 563 I HA 0.213 4.383 4.170 -0.001 0.000 0.243 563 I C 0.745 176.878 176.117 0.027 0.000 1.094 563 I CA 0.374 61.677 61.300 0.005 0.000 1.507 563 I CB 0.050 38.007 38.000 -0.072 0.000 1.441 563 I HN 0.226 nan 8.210 nan 0.000 0.465 564 L N -1.251 119.981 121.223 0.014 0.000 2.540 564 L HA 0.554 4.894 4.340 -0.001 0.000 0.256 564 L C -1.198 175.738 176.870 0.111 0.000 1.001 564 L CA -0.774 54.102 54.840 0.059 0.000 0.843 564 L CB 2.006 44.104 42.059 0.065 0.000 1.436 564 L HN 0.038 nan 8.230 nan 0.000 0.410 565 Q N 1.348 121.210 119.800 0.104 0.000 2.241 565 Q HA 0.224 4.564 4.340 -0.001 0.000 0.254 565 Q C -1.014 175.095 176.000 0.181 0.000 0.917 565 Q CA -0.524 55.364 55.803 0.141 0.000 0.919 565 Q CB 1.619 30.378 28.738 0.035 0.000 1.237 565 Q HN 0.728 nan 8.270 nan 0.000 0.434 566 D N 1.904 122.457 120.400 0.255 0.000 2.424 566 D HA 0.090 4.730 4.640 -0.001 0.000 0.244 566 D C -0.818 175.534 176.300 0.086 0.000 1.134 566 D CA 0.530 54.655 54.000 0.208 0.000 0.881 566 D CB 0.806 41.634 40.800 0.046 0.000 1.191 566 D HN 0.537 nan 8.370 nan 0.000 0.445 567 T N -0.308 114.295 114.554 0.081 0.000 2.916 567 T HA 0.779 5.129 4.350 -0.001 0.000 0.292 567 T C -0.393 174.226 174.700 -0.134 0.000 1.055 567 T CA -0.872 61.218 62.100 -0.017 0.000 1.009 567 T CB 1.665 70.527 68.868 -0.009 0.000 1.118 567 T HN 0.363 nan 8.240 nan 0.000 0.497 568 T N -0.371 114.081 114.554 -0.171 0.000 2.909 568 T HA 0.671 5.020 4.350 -0.001 0.000 0.299 568 T C -0.311 174.339 174.700 -0.083 0.000 1.073 568 T CA -0.949 61.005 62.100 -0.244 0.000 0.999 568 T CB 0.875 69.559 68.868 -0.307 0.000 1.098 568 T HN 0.726 nan 8.240 nan 0.000 0.477 569 I N 2.566 123.118 120.570 -0.031 0.000 2.496 569 I HA 0.409 4.579 4.170 -0.001 0.000 0.285 569 I C 0.392 176.529 176.117 0.033 0.000 1.080 569 I CA -0.668 60.678 61.300 0.076 0.000 1.404 569 I CB 1.039 39.125 38.000 0.144 0.000 1.403 569 I HN 0.625 nan 8.210 nan 0.000 0.539 570 V N 3.371 123.317 119.914 0.054 0.000 2.715 570 V HA 1.007 5.127 4.120 -0.001 0.000 0.310 570 V C -0.239 175.853 176.094 -0.003 0.000 1.054 570 V CA -0.547 61.763 62.300 0.017 0.000 0.928 570 V CB 1.536 33.369 31.823 0.017 0.000 1.007 570 V HN 0.848 nan 8.190 nan 0.000 0.437 571 A N 2.444 125.236 122.820 -0.047 0.000 2.572 571 A HA 1.031 5.351 4.320 -0.001 0.000 0.295 571 A C -0.505 177.003 177.584 -0.127 0.000 1.072 571 A CA -0.296 51.690 52.037 -0.086 0.000 0.691 571 A CB 1.833 20.776 19.000 -0.095 0.000 1.291 571 A HN 2.475 nan 8.150 nan 0.000 0.404 572 A N 0.740 123.474 122.820 -0.143 0.000 2.375 572 A HA 0.770 5.090 4.320 -0.001 0.000 0.295 572 A C 0.241 177.731 177.584 -0.157 0.000 1.066 572 A CA 0.091 52.015 52.037 -0.190 0.000 0.722 572 A CB 0.995 19.863 19.000 -0.220 0.000 1.206 572 A HN 2.079 nan 8.150 nan 0.000 0.435 573 G N 1.698 110.402 108.800 -0.159 0.000 2.537 573 G HA2 0.529 4.488 3.960 -0.001 0.000 0.273 573 G HA3 0.529 4.488 3.960 -0.001 0.000 0.273 573 G C -1.150 173.678 174.900 -0.120 0.000 1.189 573 G CA -1.232 43.793 45.100 -0.126 0.000 0.881 573 G HN 0.457 nan 8.290 nan 0.000 0.535 574 P HA -0.077 nan 4.420 nan 0.000 0.226 574 P C 1.639 178.893 177.300 -0.077 0.000 1.153 574 P CA 1.252 64.304 63.100 -0.080 0.000 0.777 574 P CB 0.228 31.890 31.700 -0.063 0.000 0.794 575 S N -1.582 114.068 115.700 -0.082 0.000 2.607 575 S HA 0.066 4.535 4.470 -0.001 0.000 0.224 575 S C 0.744 175.294 174.600 -0.084 0.000 0.969 575 S CA -0.213 57.943 58.200 -0.072 0.000 0.927 575 S CB -0.740 62.420 63.200 -0.067 0.000 0.772 575 S HN 0.027 nan 8.310 nan 0.000 0.533 576 V N 1.682 121.525 119.914 -0.118 0.000 2.680 576 V HA 0.531 4.651 4.120 -0.001 0.000 0.309 576 V C -1.449 174.562 176.094 -0.138 0.000 1.052 576 V CA -0.759 61.452 62.300 -0.147 0.000 0.908 576 V CB 2.019 33.689 31.823 -0.254 0.000 1.001 576 V HN 0.375 nan 8.190 nan 0.000 0.431 577 Q N 3.595 123.337 119.800 -0.096 0.000 2.301 577 Q HA 0.531 4.870 4.340 -0.001 0.000 0.267 577 Q C 0.055 176.033 176.000 -0.037 0.000 1.035 577 Q CA -0.592 55.177 55.803 -0.056 0.000 0.856 577 Q CB 1.348 30.080 28.738 -0.010 0.000 1.337 577 Q HN 0.865 nan 8.270 nan 0.000 0.450 578 N N -0.885 117.812 118.700 -0.004 0.000 2.776 578 N HA -0.138 4.602 4.740 -0.001 0.000 0.250 578 N C -0.890 174.677 175.510 0.095 0.000 1.112 578 N CA 0.507 53.604 53.050 0.079 0.000 0.733 578 N CB -1.452 37.136 38.487 0.167 0.000 1.097 578 N HN 0.250 nan 8.380 nan 0.000 0.558 579 V N 1.657 121.488 119.914 -0.137 0.000 2.288 579 V HA 0.226 4.345 4.120 -0.001 0.000 0.266 579 V C 0.734 176.787 176.094 -0.068 0.000 1.048 579 V CA -0.563 61.592 62.300 -0.241 0.000 0.842 579 V CB 1.222 32.631 31.823 -0.691 0.000 1.064 579 V HN 0.364 nan 8.190 nan 0.000 0.472 580 S N 5.643 121.380 115.700 0.061 0.000 2.499 580 S HA 0.446 4.916 4.470 -0.001 0.000 0.275 580 S C 0.205 174.835 174.600 0.050 0.000 1.257 580 S CA -0.600 57.628 58.200 0.045 0.000 1.050 580 S CB 0.676 63.916 63.200 0.068 0.000 0.937 580 S HN 0.565 nan 8.310 nan 0.000 0.490 581 L N 3.561 124.793 121.223 0.015 0.000 2.855 581 L HA 0.203 4.542 4.340 -0.001 0.000 0.245 581 L C 0.116 177.006 176.870 0.034 0.000 1.276 581 L CA -0.129 54.723 54.840 0.020 0.000 1.118 581 L CB -1.229 40.829 42.059 -0.002 0.000 1.444 581 L HN 0.754 nan 8.230 nan 0.000 0.440 582 T N -1.051 113.529 114.554 0.043 0.000 2.900 582 T HA 0.833 5.182 4.350 -0.001 0.000 0.295 582 T C 0.089 174.809 174.700 0.034 0.000 1.044 582 T CA -0.685 61.434 62.100 0.031 0.000 0.995 582 T CB 2.568 71.449 68.868 0.022 0.000 1.072 582 T HN 0.291 nan 8.240 nan 0.000 0.473 583 G N 0.100 108.908 108.800 0.014 0.000 2.356 583 G HA2 0.621 4.581 3.960 -0.001 0.000 0.294 583 G HA3 0.621 4.581 3.960 -0.001 0.000 0.294 583 G C -1.315 173.569 174.900 -0.025 0.000 1.423 583 G CA -0.371 44.729 45.100 -0.001 0.000 0.806 583 G HN 0.921 nan 8.290 nan 0.000 0.527 584 A N -0.396 122.389 122.820 -0.057 0.000 2.445 584 A HA 0.549 4.869 4.320 -0.001 0.000 0.242 584 A C 1.748 179.299 177.584 -0.054 0.000 1.075 584 A CA 0.417 52.403 52.037 -0.084 0.000 0.777 584 A CB 0.653 19.550 19.000 -0.173 0.000 1.013 584 A HN 1.469 nan 8.150 nan 0.000 0.493 585 V N 2.617 122.508 119.914 -0.038 0.000 2.278 585 V HA -0.202 3.917 4.120 -0.001 0.000 0.251 585 V C -0.421 175.673 176.094 0.001 0.000 1.062 585 V CA 2.806 65.099 62.300 -0.011 0.000 1.038 585 V CB -1.531 30.295 31.823 0.005 0.000 0.646 585 V HN 0.842 nan 8.190 nan 0.000 0.447 586 P HA -0.055 nan 4.420 nan 0.000 0.222 586 P C 1.567 178.882 177.300 0.025 0.000 1.147 586 P CA 1.057 64.188 63.100 0.052 0.000 0.790 586 P CB 0.059 31.835 31.700 0.127 0.000 0.780 587 V N -2.314 117.596 119.914 -0.007 0.000 2.690 587 V HA 0.343 4.463 4.120 -0.001 0.000 0.240 587 V C 1.596 177.693 176.094 0.005 0.000 1.078 587 V CA 1.451 63.749 62.300 -0.004 0.000 1.102 587 V CB -0.920 30.890 31.823 -0.022 0.000 0.800 587 V HN 0.328 nan 8.190 nan 0.000 0.479 588 G N 1.321 110.124 108.800 0.005 0.000 2.578 588 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.232 588 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.232 588 G C 0.412 175.341 174.900 0.048 0.000 1.176 588 G CA 0.164 45.277 45.100 0.021 0.000 0.968 588 G HN 0.910 nan 8.290 nan 0.000 0.583 589 I N -0.452 120.173 120.570 0.092 0.000 4.025 589 I HA 0.474 4.644 4.170 -0.001 0.000 0.336 589 I C 1.729 178.001 176.117 0.258 0.000 1.390 589 I CA 0.776 62.169 61.300 0.154 0.000 1.099 589 I CB 0.702 38.791 38.000 0.150 0.000 1.049 589 I HN 0.842 nan 8.210 nan 0.000 0.394 590 V N -1.912 118.095 119.914 0.156 0.000 3.647 590 V HA 0.462 4.582 4.120 -0.001 0.000 0.279 590 V C 2.087 178.123 176.094 -0.098 0.000 1.314 590 V CA 0.750 63.068 62.300 0.031 0.000 1.125 590 V CB -0.700 31.125 31.823 0.003 0.000 0.907 590 V HN 0.318 nan 8.190 nan 0.000 0.434 591 G N 2.312 111.106 108.800 -0.010 0.000 2.475 591 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.220 591 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.220 591 G C 0.972 175.837 174.900 -0.058 0.000 1.125 591 G CA 1.300 46.383 45.100 -0.028 0.000 0.755 591 G HN 0.792 nan 8.290 nan 0.000 0.565 592 D N -0.110 120.263 120.400 -0.044 0.000 2.402 592 D HA 0.426 5.065 4.640 -0.001 0.000 0.216 592 D C 1.933 178.013 176.300 -0.367 0.000 1.128 592 D CA 0.434 54.407 54.000 -0.044 0.000 0.833 592 D CB -0.178 40.710 40.800 0.147 0.000 0.971 592 D HN 0.204 nan 8.370 nan 0.000 0.503 593 A N 0.970 123.288 122.820 -0.836 0.000 2.024 593 A HA 0.017 4.336 4.320 -0.001 0.000 0.220 593 A C 2.259 179.457 177.584 -0.644 0.000 1.164 593 A CA 1.561 52.555 52.037 -1.739 0.000 0.643 593 A CB -1.219 16.866 19.000 -1.525 0.000 0.806 593 A HN 0.375 nan 8.150 nan 0.000 0.451 594 G N -0.791 107.891 108.800 -0.197 0.000 2.498 594 G HA2 -0.137 3.822 3.960 -0.001 0.000 0.219 594 G HA3 -0.137 3.822 3.960 -0.001 0.000 0.219 594 G C 0.889 175.768 174.900 -0.035 0.000 1.119 594 G CA 1.059 46.123 45.100 -0.061 0.000 0.766 594 G HN 0.522 nan 8.290 nan 0.000 0.552 595 D N -0.911 119.481 120.400 -0.013 0.000 2.360 595 D HA 0.036 4.676 4.640 -0.001 0.000 0.210 595 D C 0.184 176.633 176.300 0.249 0.000 1.047 595 D CA -0.388 53.673 54.000 0.103 0.000 0.854 595 D CB 0.100 40.970 40.800 0.116 0.000 0.936 595 D HN 0.187 nan 8.370 nan 0.000 0.514 596 W N 2.602 123.926 121.300 0.041 0.000 2.322 596 W HA 0.174 4.833 4.660 -0.001 0.000 0.328 596 W C 0.631 177.159 176.519 0.015 0.000 1.395 596 W CA -0.227 57.129 57.345 0.018 0.000 1.267 596 W CB -0.225 29.237 29.460 0.005 0.000 1.259 596 W HN -0.340 nan 8.180 nan 0.000 0.560 597 T N 3.299 117.967 114.554 0.190 0.000 2.906 597 T HA 0.446 4.795 4.350 -0.001 0.000 0.295 597 T C -0.307 174.417 174.700 0.041 0.000 1.061 597 T CA -1.020 61.139 62.100 0.100 0.000 1.000 597 T CB 2.921 71.830 68.868 0.069 0.000 1.103 597 T HN 0.168 nan 8.240 nan 0.000 0.486 598 K N 0.859 121.274 120.400 0.025 0.000 2.288 598 K HA 0.691 5.011 4.320 -0.001 0.000 0.234 598 K C 0.013 176.607 176.600 -0.011 0.000 1.037 598 K CA -0.170 56.113 56.287 -0.006 0.000 0.914 598 K CB 1.065 33.563 32.500 -0.004 0.000 1.197 598 K HN 1.101 nan 8.250 nan 0.000 0.471 599 T N 0.000 114.540 114.554 -0.023 0.000 3.816 599 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 599 T CA 0.000 62.087 62.100 -0.022 0.000 1.349 599 T CB 0.000 68.860 68.868 -0.013 0.000 0.612 599 T HN 0.000 nan 8.240 nan 0.000 0.658