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_A 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 DAGYVSEPVP PPXXXXXXXX DATA SEQUENCE XXXXRERIVK DGVPLTIVLG VASNDPTSVA VANTAADQLR NVGIDASVLA DATA SEQUENCE LDPVALYGDA LVNNRVDAVV GWRQAGGDLA TVLASRYGcR ALEAXXXXXX 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 0.000 177.594 177.584 0.016 0.000 1.274 25 A CA 0.000 52.045 52.037 0.013 0.000 0.836 25 A CB 0.000 19.006 19.000 0.011 0.000 0.831 26 P HA 0.480 nan 4.420 nan 0.000 0.271 26 P C 0.236 177.553 177.300 0.028 0.000 1.218 26 P CA -0.007 63.108 63.100 0.025 0.000 0.780 26 P CB 0.581 32.299 31.700 0.030 0.000 0.901 27 T N -0.271 114.303 114.554 0.033 0.000 2.799 27 T HA 0.172 4.522 4.350 -0.000 0.000 0.296 27 T C -0.161 174.568 174.700 0.048 0.000 0.947 27 T CA -0.650 61.473 62.100 0.038 0.000 1.141 27 T CB 0.481 69.375 68.868 0.044 0.000 0.891 27 T HN 0.524 nan 8.240 nan 0.000 0.533 28 Q N 2.899 122.721 119.800 0.037 0.000 2.340 28 Q HA 0.585 4.925 4.340 -0.000 0.000 0.268 28 Q C -1.347 174.668 176.000 0.025 0.000 1.031 28 Q CA -0.911 54.912 55.803 0.033 0.000 0.804 28 Q CB 1.401 30.150 28.738 0.019 0.000 1.286 28 Q HN 0.800 nan 8.270 nan 0.000 0.448 29 I N 4.595 125.183 120.570 0.031 0.000 2.378 29 I HA 0.374 4.544 4.170 -0.000 0.000 0.291 29 I C -0.442 175.646 176.117 -0.050 0.000 0.992 29 I CA -0.591 60.719 61.300 0.017 0.000 1.154 29 I CB 1.576 39.648 38.000 0.121 0.000 1.315 29 I HN 0.530 nan 8.210 nan 0.000 0.448 30 I N 6.807 127.330 120.570 -0.080 0.000 2.321 30 I HA 0.394 4.564 4.170 -0.000 0.000 0.291 30 I C -0.256 175.764 176.117 -0.162 0.000 0.998 30 I CA -0.381 60.850 61.300 -0.115 0.000 1.227 30 I CB 1.434 39.390 38.000 -0.073 0.000 1.368 30 I HN 0.551 nan 8.210 nan 0.000 0.466 31 M N 6.596 126.046 119.600 -0.251 0.000 2.181 31 M HA 0.646 5.126 4.480 -0.000 0.000 0.323 31 M C -0.626 175.593 176.300 -0.134 0.000 1.004 31 M CA -0.385 54.765 55.300 -0.251 0.000 0.941 31 M CB 1.467 33.807 32.600 -0.434 0.000 1.579 31 M HN 0.663 nan 8.290 nan 0.000 0.427 32 A N 6.418 129.202 122.820 -0.060 0.000 2.363 32 A HA 0.700 5.020 4.320 -0.000 0.000 0.270 32 A C -0.421 177.199 177.584 0.060 0.000 1.121 32 A CA -0.619 51.420 52.037 0.004 0.000 0.800 32 A CB 0.026 19.021 19.000 -0.008 0.000 1.052 32 A HN 0.977 nan 8.150 nan 0.000 0.493 33 I N -1.652 118.978 120.570 0.100 0.000 3.239 33 I HA 0.503 4.673 4.170 -0.000 0.000 0.314 33 I C -0.202 175.976 176.117 0.101 0.000 1.126 33 I CA -1.006 60.368 61.300 0.125 0.000 0.973 33 I CB 1.616 39.730 38.000 0.190 0.000 1.252 33 I HN 0.504 nan 8.210 nan 0.000 0.463 34 D N 1.360 121.826 120.400 0.110 0.000 2.085 34 D HA -0.022 4.618 4.640 -0.000 0.000 0.199 34 D C 0.789 177.132 176.300 0.072 0.000 0.981 34 D CA 1.918 55.978 54.000 0.101 0.000 0.834 34 D CB 0.139 41.024 40.800 0.141 0.000 0.992 34 D HN 0.726 nan 8.370 nan 0.000 0.457 35 S N -1.071 114.668 115.700 0.066 0.000 2.672 35 S HA 0.269 4.739 4.470 -0.000 0.000 0.271 35 S C 0.775 175.406 174.600 0.053 0.000 1.171 35 S CA -0.757 57.474 58.200 0.053 0.000 0.817 35 S CB 0.665 63.882 63.200 0.029 0.000 1.150 35 S HN 0.133 nan 8.310 nan 0.000 0.478 36 I N -0.634 119.973 120.570 0.061 0.000 2.830 36 I HA 0.495 4.664 4.170 -0.000 0.000 0.263 36 I C 1.156 177.254 176.117 -0.032 0.000 1.230 36 I CA 0.666 62.023 61.300 0.095 0.000 1.480 36 I CB -1.270 36.848 38.000 0.197 0.000 1.095 36 I HN 1.321 nan 8.210 nan 0.000 0.455 37 G N 2.107 110.858 108.800 -0.082 0.000 2.728 37 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.294 37 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.294 37 G C -1.960 172.797 174.900 -0.239 0.000 1.342 37 G CA -0.158 44.833 45.100 -0.182 0.000 0.866 37 G HN 0.170 nan 8.290 nan 0.000 0.534 38 P HA 0.320 nan 4.420 nan 0.000 0.227 38 P C 1.016 178.152 177.300 -0.273 0.000 1.161 38 P CA 2.116 65.101 63.100 -0.192 0.000 0.788 38 P CB 0.478 32.105 31.700 -0.121 0.000 0.822 39 G N -1.070 107.404 108.800 -0.544 0.000 2.313 39 G HA2 0.345 4.305 3.960 -0.000 0.000 0.296 39 G HA3 0.345 4.305 3.960 -0.000 0.000 0.296 39 G C -1.326 173.010 174.900 -0.940 0.000 1.356 39 G CA -0.667 44.080 45.100 -0.588 0.000 0.833 39 G HN -0.086 nan 8.290 nan 0.000 0.552 40 F N 0.189 120.078 119.950 -0.102 0.000 2.775 40 F HA 0.399 4.926 4.527 -0.000 0.000 0.313 40 F C 0.669 176.394 175.800 -0.124 0.000 1.121 40 F CA -0.733 57.200 58.000 -0.111 0.000 1.206 40 F CB 1.093 40.034 39.000 -0.099 0.000 1.052 40 F HN 0.284 nan 8.300 nan 0.000 0.524 41 N N 2.425 121.079 118.700 -0.077 0.000 2.462 41 N HA 0.245 4.985 4.740 -0.000 0.000 0.242 41 N C -2.087 173.310 175.510 -0.187 0.000 1.010 41 N CA -2.448 50.509 53.050 -0.154 0.000 0.939 41 N CB 1.464 39.762 38.487 -0.314 0.000 1.127 41 N HN -0.117 nan 8.380 nan 0.000 0.509 42 P HA -0.048 nan 4.420 nan 0.000 0.230 42 P C 0.405 177.514 177.300 -0.318 0.000 1.158 42 P CA 1.065 63.995 63.100 -0.283 0.000 0.769 42 P CB 0.140 31.642 31.700 -0.329 0.000 0.807 43 H N -1.457 117.580 119.070 -0.056 0.000 2.539 43 H HA 0.210 4.766 4.556 -0.000 0.000 0.267 43 H C 0.729 176.032 175.328 -0.042 0.000 0.982 43 H CA 0.228 56.270 56.048 -0.010 0.000 1.146 43 H CB 0.058 29.879 29.762 0.099 0.000 1.382 43 H HN 0.201 nan 8.280 nan 0.000 0.577 44 L N 1.049 122.248 121.223 -0.041 0.000 2.309 44 L HA 0.174 4.514 4.340 -0.000 0.000 0.282 44 L C 1.430 178.245 176.870 -0.091 0.000 1.036 44 L CA -0.492 54.301 54.840 -0.078 0.000 0.806 44 L CB 2.292 44.278 42.059 -0.122 0.000 1.220 44 L HN -0.040 nan 8.230 nan 0.000 0.429 45 L N 1.252 122.388 121.223 -0.144 0.000 2.079 45 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 45 L C 2.579 179.451 176.870 0.002 0.000 1.081 45 L CA 1.598 56.375 54.840 -0.105 0.000 0.752 45 L CB -0.426 41.472 42.059 -0.267 0.000 0.896 45 L HN 0.932 nan 8.230 nan 0.000 0.433 46 S N -1.258 114.438 115.700 -0.006 0.000 2.419 46 S HA -0.156 4.314 4.470 -0.000 0.000 0.233 46 S C 1.185 175.789 174.600 0.005 0.000 1.016 46 S CA 1.296 59.543 58.200 0.077 0.000 0.974 46 S CB -0.242 63.010 63.200 0.087 0.000 0.786 46 S HN 0.387 nan 8.310 nan 0.000 0.492 47 D N 0.920 121.278 120.400 -0.069 0.000 2.363 47 D HA 0.168 4.808 4.640 -0.000 0.000 0.214 47 D C -0.106 176.088 176.300 -0.176 0.000 1.093 47 D CA 0.027 53.935 54.000 -0.152 0.000 0.837 47 D CB -0.034 40.651 40.800 -0.191 0.000 0.948 47 D HN 0.345 nan 8.370 nan 0.000 0.507 48 Q N 0.945 120.669 119.800 -0.127 0.000 2.255 48 Q HA 0.251 4.590 4.340 -0.000 0.000 0.280 48 Q C 0.088 175.886 176.000 -0.337 0.000 1.068 48 Q CA 0.358 56.056 55.803 -0.174 0.000 0.911 48 Q CB 1.029 29.722 28.738 -0.075 0.000 1.157 48 Q HN 0.079 nan 8.270 nan 0.000 0.380 49 S N 2.672 118.192 115.700 -0.300 0.000 2.580 49 S HA 0.340 4.810 4.470 -0.000 0.000 0.281 49 S C -2.380 172.099 174.600 -0.203 0.000 1.129 49 S CA -0.949 57.063 58.200 -0.313 0.000 0.862 49 S CB 1.367 64.394 63.200 -0.288 0.000 1.090 49 S HN 0.234 nan 8.310 nan 0.000 0.451 50 P HA -0.017 nan 4.420 nan 0.000 0.220 50 P C 1.530 178.792 177.300 -0.063 0.000 1.148 50 P CA 0.864 63.910 63.100 -0.091 0.000 0.803 50 P CB -0.106 31.551 31.700 -0.071 0.000 0.782 51 V N 1.484 121.351 119.914 -0.079 0.000 2.270 51 V HA -0.219 3.901 4.120 -0.000 0.000 0.245 51 V C 2.726 178.758 176.094 -0.103 0.000 1.043 51 V CA 2.113 64.363 62.300 -0.084 0.000 1.014 51 V CB -1.590 30.192 31.823 -0.069 0.000 0.645 51 V HN 0.242 nan 8.190 nan 0.000 0.447 52 N N 0.854 119.464 118.700 -0.149 0.000 2.094 52 N HA -0.237 4.503 4.740 -0.000 0.000 0.191 52 N C 1.839 177.310 175.510 -0.065 0.000 1.023 52 N CA 1.875 54.846 53.050 -0.130 0.000 0.857 52 N CB -0.071 38.269 38.487 -0.244 0.000 1.013 52 N HN 0.455 nan 8.380 nan 0.000 0.426 53 A N 0.762 123.536 122.820 -0.077 0.000 1.930 53 A HA 0.074 4.393 4.320 -0.000 0.000 0.217 53 A C 2.415 179.984 177.584 -0.024 0.000 1.175 53 A CA 1.640 53.652 52.037 -0.041 0.000 0.627 53 A CB -0.792 18.187 19.000 -0.035 0.000 0.815 53 A HN 0.533 nan 8.150 nan 0.000 0.443 54 A N 0.132 122.928 122.820 -0.040 0.000 1.873 54 A HA -0.029 4.291 4.320 -0.000 0.000 0.215 54 A C 1.992 179.522 177.584 -0.091 0.000 1.186 54 A CA 1.574 53.590 52.037 -0.035 0.000 0.616 54 A CB -0.461 18.539 19.000 -0.000 0.000 0.823 54 A HN 0.392 nan 8.150 nan 0.000 0.442 55 I N 0.129 120.606 120.570 -0.155 0.000 2.252 55 I HA -0.215 3.955 4.170 -0.000 0.000 0.245 55 I C 2.939 179.028 176.117 -0.047 0.000 1.102 55 I CA 1.408 62.609 61.300 -0.166 0.000 1.385 55 I CB -1.715 36.193 38.000 -0.153 0.000 1.064 55 I HN 0.356 nan 8.210 nan 0.000 0.414 56 A N 0.216 123.037 122.820 0.002 0.000 1.908 56 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 56 A C 2.631 180.247 177.584 0.054 0.000 1.181 56 A CA 2.246 54.306 52.037 0.039 0.000 0.627 56 A CB -0.956 18.060 19.000 0.026 0.000 0.818 56 A HN 0.414 nan 8.150 nan 0.000 0.445 57 S N -0.732 114.988 115.700 0.035 0.000 2.383 57 S HA -0.115 4.354 4.470 -0.000 0.000 0.229 57 S C 1.776 176.395 174.600 0.031 0.000 1.030 57 S CA 1.689 59.914 58.200 0.042 0.000 1.002 57 S CB -0.395 62.818 63.200 0.022 0.000 0.829 57 S HN 0.491 nan 8.310 nan 0.000 0.467 58 L N 0.686 121.916 121.223 0.012 0.000 2.354 58 L HA 0.149 4.489 4.340 -0.000 0.000 0.212 58 L C 2.049 178.958 176.870 0.065 0.000 1.091 58 L CA 0.647 55.510 54.840 0.039 0.000 0.828 58 L CB 0.095 42.137 42.059 -0.029 0.000 0.973 58 L HN 0.411 nan 8.230 nan 0.000 0.461 59 V N -4.343 115.604 119.914 0.055 0.000 3.572 59 V HA 0.290 4.409 4.120 -0.000 0.000 0.260 59 V C 0.651 176.830 176.094 0.142 0.000 1.324 59 V CA -0.236 62.112 62.300 0.080 0.000 1.068 59 V CB 0.173 32.034 31.823 0.063 0.000 0.837 59 V HN 0.026 nan 8.190 nan 0.000 0.450 60 L N 2.939 124.256 121.223 0.156 0.000 2.322 60 L HA 0.601 4.940 4.340 -0.000 0.000 0.279 60 L C -2.391 174.610 176.870 0.217 0.000 1.036 60 L CA -1.989 52.995 54.840 0.241 0.000 0.807 60 L CB 1.959 44.165 42.059 0.245 0.000 1.226 60 L HN 0.056 nan 8.230 nan 0.000 0.433 61 P HA 0.211 nan 4.420 nan 0.000 0.278 61 P C -1.011 176.423 177.300 0.223 0.000 1.238 61 P CA -0.349 62.877 63.100 0.210 0.000 0.794 61 P CB 1.557 33.326 31.700 0.114 0.000 0.955 62 S N 0.462 116.299 115.700 0.228 0.000 2.549 62 S HA 0.296 4.766 4.470 -0.000 0.000 0.280 62 S C 1.137 175.892 174.600 0.257 0.000 1.109 62 S CA -0.428 57.929 58.200 0.261 0.000 0.905 62 S CB 1.593 64.968 63.200 0.291 0.000 1.081 62 S HN 0.330 nan 8.310 nan 0.000 0.477 63 S N 0.985 116.877 115.700 0.321 0.000 2.371 63 S HA 0.208 4.678 4.470 -0.000 0.000 0.224 63 S C -0.194 174.401 174.600 -0.010 0.000 1.029 63 S CA 1.164 59.538 58.200 0.289 0.000 0.978 63 S CB -0.101 63.474 63.200 0.624 0.000 0.833 63 S HN 0.601 nan 8.310 nan 0.000 0.466 64 F N 0.617 120.783 119.950 0.360 0.000 2.588 64 F HA 0.555 5.081 4.527 -0.000 0.000 0.310 64 F C 0.113 176.181 175.800 0.446 0.000 1.082 64 F CA -1.062 57.162 58.000 0.373 0.000 0.929 64 F CB 1.400 40.633 39.000 0.387 0.000 1.254 64 F HN -0.340 nan 8.300 nan 0.000 0.455 65 R N 2.061 122.843 120.500 0.469 0.000 2.637 65 R HA 0.515 4.855 4.340 -0.000 0.000 0.291 65 R C -2.990 173.264 176.300 -0.076 0.000 0.963 65 R CA -1.960 54.275 56.100 0.225 0.000 0.901 65 R CB 2.084 32.453 30.300 0.114 0.000 1.160 65 R HN 0.228 nan 8.270 nan 0.000 0.457 66 P HA 0.210 nan 4.420 nan 0.000 0.288 66 P C -0.496 176.551 177.300 -0.421 0.000 1.267 66 P CA -0.509 62.042 63.100 -0.914 0.000 0.815 66 P CB 1.416 32.236 31.700 -1.467 0.000 0.989 67 V N -0.335 119.380 119.914 -0.331 0.000 2.914 67 V HA 0.667 4.787 4.120 -0.000 0.000 0.314 67 V C -2.859 173.138 176.094 -0.162 0.000 1.084 67 V CA -3.383 58.810 62.300 -0.179 0.000 0.963 67 V CB 1.472 33.237 31.823 -0.096 0.000 1.025 67 V HN 0.239 nan 8.190 nan 0.000 0.432 68 P HA 0.323 nan 4.420 nan 0.000 0.264 68 P C -1.095 176.172 177.300 -0.056 0.000 1.193 68 P CA 0.648 63.703 63.100 -0.075 0.000 0.763 68 P CB 0.238 31.910 31.700 -0.045 0.000 0.810 69 D N 3.739 124.112 120.400 -0.046 0.000 2.365 69 D HA 0.202 4.842 4.640 -0.000 0.000 0.235 69 D C -2.264 174.030 176.300 -0.011 0.000 1.368 69 D CA -1.895 52.089 54.000 -0.026 0.000 1.001 69 D CB 1.048 41.830 40.800 -0.029 0.000 1.364 69 D HN 0.011 nan 8.370 nan 0.000 0.577 70 P HA 0.019 nan 4.420 nan 0.000 0.233 70 P C 1.184 178.490 177.300 0.010 0.000 1.167 70 P CA 0.549 63.653 63.100 0.006 0.000 0.770 70 P CB 0.402 32.106 31.700 0.007 0.000 0.837 71 T N -1.416 113.142 114.554 0.007 0.000 2.995 71 T HA -0.031 4.319 4.350 -0.000 0.000 0.269 71 T C 0.976 175.682 174.700 0.011 0.000 1.091 71 T CA 0.824 62.929 62.100 0.008 0.000 1.128 71 T CB -0.353 68.519 68.868 0.005 0.000 0.891 71 T HN 0.116 nan 8.240 nan 0.000 0.492 72 S N 0.997 116.705 115.700 0.012 0.000 2.537 72 S HA 0.236 4.706 4.470 -0.000 0.000 0.275 72 S C -1.880 172.738 174.600 0.030 0.000 1.272 72 S CA -1.760 56.452 58.200 0.020 0.000 1.050 72 S CB 1.293 64.508 63.200 0.025 0.000 0.961 72 S HN -0.049 nan 8.310 nan 0.000 0.496 73 P HA -0.015 nan 4.420 nan 0.000 0.223 73 P C 0.908 178.243 177.300 0.058 0.000 1.144 73 P CA 1.019 64.144 63.100 0.042 0.000 0.783 73 P CB 0.148 31.869 31.700 0.035 0.000 0.771 74 T N -2.979 111.613 114.554 0.063 0.000 3.015 74 T HA 0.274 4.624 4.350 -0.000 0.000 0.250 74 T C 1.470 176.208 174.700 0.062 0.000 1.057 74 T CA 0.835 62.986 62.100 0.083 0.000 1.066 74 T CB -0.276 68.668 68.868 0.127 0.000 0.959 74 T HN 0.206 nan 8.240 nan 0.000 0.488 75 G N 1.164 109.987 108.800 0.038 0.000 2.199 75 G HA2 -0.222 3.737 3.960 -0.000 0.000 0.254 75 G HA3 -0.222 3.737 3.960 -0.000 0.000 0.254 75 G C 0.257 175.143 174.900 -0.024 0.000 0.982 75 G CA 0.307 45.413 45.100 0.011 0.000 0.632 75 G HN 0.561 nan 8.290 nan 0.000 0.529 76 S N -0.507 115.176 115.700 -0.027 0.000 2.526 76 S HA 0.746 5.216 4.470 -0.000 0.000 0.293 76 S C -0.188 174.343 174.600 -0.114 0.000 1.092 76 S CA -0.730 57.387 58.200 -0.138 0.000 0.980 76 S CB 2.438 65.473 63.200 -0.276 0.000 1.048 76 S HN 0.596 nan 8.310 nan 0.000 0.483 77 R N 0.860 121.252 120.500 -0.180 0.000 2.589 77 R HA 0.448 4.788 4.340 -0.000 0.000 0.293 77 R C -1.783 174.397 176.300 -0.199 0.000 0.963 77 R CA -0.623 55.425 56.100 -0.085 0.000 0.905 77 R CB 0.847 31.126 30.300 -0.035 0.000 1.144 77 R HN 0.631 nan 8.270 nan 0.000 0.459 78 W N 2.961 124.226 121.300 -0.057 0.000 2.314 78 W HA 0.334 4.993 4.660 -0.000 0.000 0.310 78 W C -0.230 176.360 176.519 0.117 0.000 1.075 78 W CA -0.392 56.950 57.345 -0.005 0.000 1.253 78 W CB 1.220 30.599 29.460 -0.135 0.000 1.238 78 W HN 0.353 nan 8.180 nan 0.000 0.440 79 E N 2.736 123.167 120.200 0.385 0.000 2.183 79 E HA 0.308 4.657 4.350 -0.000 0.000 0.271 79 E C -0.874 175.968 176.600 0.403 0.000 0.919 79 E CA -1.525 55.089 56.400 0.357 0.000 0.781 79 E CB 2.278 32.072 29.700 0.157 0.000 1.140 79 E HN 0.266 nan 8.360 nan 0.000 0.402 80 L N 3.085 124.463 121.223 0.258 0.000 2.601 80 L HA -0.065 4.275 4.340 -0.000 0.000 0.277 80 L C 0.145 176.969 176.870 -0.077 0.000 1.219 80 L CA 0.762 55.476 54.840 -0.211 0.000 0.915 80 L CB 0.188 42.169 42.059 -0.130 0.000 1.160 80 L HN 0.478 nan 8.230 nan 0.000 0.494 81 D N 3.251 123.582 120.400 -0.115 0.000 2.402 81 D HA 0.011 4.651 4.640 -0.000 0.000 0.235 81 D C 1.024 177.344 176.300 0.032 0.000 1.226 81 D CA 0.443 54.456 54.000 0.021 0.000 0.918 81 D CB 1.000 41.854 40.800 0.090 0.000 1.043 81 D HN 0.779 nan 8.370 nan 0.000 0.506 82 T N 0.114 114.693 114.554 0.042 0.000 3.035 82 T HA -0.112 4.238 4.350 -0.000 0.000 0.268 82 T C 1.784 176.540 174.700 0.095 0.000 1.109 82 T CA 0.754 62.886 62.100 0.053 0.000 1.119 82 T CB -0.048 68.844 68.868 0.041 0.000 0.900 82 T HN 0.219 nan 8.240 nan 0.000 0.503 83 T N 1.986 116.611 114.554 0.119 0.000 2.684 83 T HA 0.010 4.360 4.350 -0.000 0.000 0.267 83 T C 1.666 176.601 174.700 0.391 0.000 1.036 83 T CA 1.412 63.619 62.100 0.179 0.000 1.148 83 T CB -0.374 68.573 68.868 0.130 0.000 0.863 83 T HN 0.272 nan 8.240 nan 0.000 0.436 84 L N -0.514 120.895 121.223 0.311 0.000 2.168 84 L HA 0.407 4.747 4.340 -0.000 0.000 0.203 84 L C 0.267 177.217 176.870 0.134 0.000 1.078 84 L CA 1.230 56.240 54.840 0.283 0.000 0.780 84 L CB -0.002 42.208 42.059 0.253 0.000 0.939 84 L HN 0.141 nan 8.230 nan 0.000 0.451 85 L N -0.584 120.703 121.223 0.107 0.000 2.342 85 L HA 0.319 4.659 4.340 -0.000 0.000 0.271 85 L C 0.914 177.808 176.870 0.041 0.000 1.008 85 L CA -0.430 54.451 54.840 0.068 0.000 0.818 85 L CB 1.851 43.956 42.059 0.078 0.000 1.296 85 L HN -0.000 nan 8.230 nan 0.000 0.427 86 E N 0.643 120.857 120.200 0.024 0.000 2.122 86 E HA -0.010 4.340 4.350 -0.000 0.000 0.190 86 E C 0.065 176.676 176.600 0.017 0.000 0.977 86 E CA 0.659 57.068 56.400 0.014 0.000 0.820 86 E CB 0.476 30.174 29.700 -0.002 0.000 0.770 86 E HN 0.649 nan 8.360 nan 0.000 0.462 87 S N -0.940 114.774 115.700 0.022 0.000 2.578 87 S HA 0.689 5.159 4.470 -0.000 0.000 0.272 87 S C -1.565 173.060 174.600 0.041 0.000 1.145 87 S CA -0.707 57.511 58.200 0.029 0.000 0.835 87 S CB 1.917 65.126 63.200 0.014 0.000 1.104 87 S HN 0.100 nan 8.310 nan 0.000 0.458 88 A N 1.262 124.131 122.820 0.083 0.000 2.442 88 A HA 0.798 5.118 4.320 -0.000 0.000 0.284 88 A C -0.946 176.736 177.584 0.163 0.000 1.058 88 A CA -0.534 51.537 52.037 0.056 0.000 0.738 88 A CB 1.047 20.215 19.000 0.280 0.000 1.242 88 A HN 0.808 nan 8.150 nan 0.000 0.421 89 E N 1.073 121.191 120.200 -0.138 0.000 2.356 89 E HA 0.441 4.790 4.350 -0.000 0.000 0.275 89 E C -1.047 175.283 176.600 -0.450 0.000 0.904 89 E CA -1.104 55.208 56.400 -0.147 0.000 0.757 89 E CB 2.504 32.163 29.700 -0.067 0.000 1.232 89 E HN 0.354 nan 8.360 nan 0.000 0.442 90 V N 2.504 122.139 119.914 -0.465 0.000 2.425 90 V HA -0.045 4.075 4.120 -0.000 0.000 0.276 90 V C 0.774 176.669 176.094 -0.332 0.000 1.017 90 V CA 0.957 62.924 62.300 -0.556 0.000 1.062 90 V CB 0.576 32.162 31.823 -0.395 0.000 0.997 90 V HN 0.855 nan 8.190 nan 0.000 0.476 91 T N 3.797 118.143 114.554 -0.347 0.000 3.044 91 T HA 0.072 4.422 4.350 -0.000 0.000 0.255 91 T C 0.559 175.160 174.700 -0.166 0.000 1.073 91 T CA 0.710 62.681 62.100 -0.215 0.000 1.125 91 T CB 0.114 68.863 68.868 -0.198 0.000 0.908 91 T HN 0.711 nan 8.240 nan 0.000 0.480 92 Q N -0.169 119.510 119.800 -0.202 0.000 2.377 92 Q HA 0.260 4.599 4.340 -0.000 0.000 0.279 92 Q C -0.787 175.157 176.000 -0.094 0.000 1.049 92 Q CA -0.384 55.349 55.803 -0.116 0.000 0.825 92 Q CB 1.705 30.392 28.738 -0.084 0.000 1.401 92 Q HN 0.088 nan 8.270 nan 0.000 0.404 93 E N 1.067 121.271 120.200 0.005 0.000 2.447 93 E HA 0.005 4.355 4.350 -0.000 0.000 0.204 93 E C 0.674 177.343 176.600 0.116 0.000 0.977 93 E CA -0.100 56.367 56.400 0.111 0.000 0.950 93 E CB 0.506 30.264 29.700 0.098 0.000 0.975 93 E HN 0.470 nan 8.360 nan 0.000 0.496 94 N N 1.970 120.709 118.700 0.064 0.000 2.073 94 N HA -0.021 4.719 4.740 -0.000 0.000 0.190 94 N C -1.748 173.813 175.510 0.085 0.000 1.075 94 N CA 0.678 53.764 53.050 0.060 0.000 0.866 94 N CB -0.946 37.561 38.487 0.033 0.000 1.051 94 N HN -0.019 nan 8.380 nan 0.000 0.437 95 P HA 0.084 nan 4.420 nan 0.000 0.277 95 P C -0.672 176.704 177.300 0.127 0.000 1.354 95 P CA -0.336 62.823 63.100 0.098 0.000 0.891 95 P CB -0.876 30.857 31.700 0.055 0.000 1.058 96 F N 3.793 123.770 119.950 0.046 0.000 2.569 96 F HA 0.133 4.660 4.527 -0.000 0.000 0.395 96 F C 0.504 176.378 175.800 0.124 0.000 1.028 96 F CA 1.193 59.209 58.000 0.027 0.000 1.158 96 F CB 0.276 39.266 39.000 -0.017 0.000 1.023 96 F HN 0.232 nan 8.300 nan 0.000 0.547 97 T N 5.875 120.117 114.554 -0.519 0.000 2.916 97 T HA 0.655 5.004 4.350 -0.000 0.000 0.298 97 T C -1.541 172.800 174.700 -0.598 0.000 1.031 97 T CA -0.666 61.226 62.100 -0.346 0.000 0.993 97 T CB 1.001 69.762 68.868 -0.177 0.000 1.045 97 T HN 0.357 nan 8.240 nan 0.000 0.454 98 V N 4.603 124.272 119.914 -0.408 0.000 2.495 98 V HA 0.678 4.798 4.120 -0.000 0.000 0.298 98 V C 0.437 176.310 176.094 -0.369 0.000 1.031 98 V CA -0.847 61.112 62.300 -0.567 0.000 0.871 98 V CB 1.781 33.197 31.823 -0.677 0.000 0.988 98 V HN 1.074 nan 8.190 nan 0.000 0.432 99 T N 1.659 115.970 114.554 -0.404 0.000 2.779 99 T HA 0.680 5.029 4.350 -0.000 0.000 0.280 99 T C -1.024 173.485 174.700 -0.318 0.000 0.987 99 T CA -0.479 61.467 62.100 -0.257 0.000 0.966 99 T CB 0.632 69.399 68.868 -0.170 0.000 0.933 99 T HN 0.344 nan 8.240 nan 0.000 0.442 100 Y N 1.905 122.115 120.300 -0.150 0.000 2.328 100 Y HA 0.458 5.008 4.550 -0.000 0.000 0.337 100 Y C 0.828 176.625 175.900 -0.172 0.000 1.008 100 Y CA -1.009 57.010 58.100 -0.135 0.000 1.129 100 Y CB 1.500 39.799 38.460 -0.269 0.000 1.185 100 Y HN 0.504 nan 8.280 nan 0.000 0.476 101 K N 5.226 125.638 120.400 0.020 0.000 2.347 101 K HA 0.446 4.766 4.320 -0.000 0.000 0.262 101 K C -0.901 175.688 176.600 -0.018 0.000 1.052 101 K CA -0.249 56.023 56.287 -0.025 0.000 0.946 101 K CB 0.851 33.334 32.500 -0.029 0.000 1.220 101 K HN 0.592 nan 8.250 nan 0.000 0.450 102 I N 2.760 123.296 120.570 -0.057 0.000 2.472 102 I HA 0.177 4.346 4.170 -0.000 0.000 0.290 102 I C 0.768 176.829 176.117 -0.093 0.000 1.016 102 I CA -0.661 60.602 61.300 -0.062 0.000 1.348 102 I CB 0.666 38.612 38.000 -0.089 0.000 1.417 102 I HN 0.296 nan 8.210 nan 0.000 0.521 103 R N 6.007 126.439 120.500 -0.113 0.000 2.489 103 R HA 0.075 4.415 4.340 -0.000 0.000 0.287 103 R C -1.581 174.581 176.300 -0.230 0.000 1.053 103 R CA -1.198 54.812 56.100 -0.151 0.000 1.036 103 R CB 0.268 30.478 30.300 -0.149 0.000 0.966 103 R HN 0.370 nan 8.270 nan 0.000 0.432 104 P HA -0.171 nan 4.420 nan 0.000 0.216 104 P C 0.243 177.394 177.300 -0.248 0.000 1.150 104 P CA 1.336 64.330 63.100 -0.177 0.000 0.837 104 P CB 0.301 31.931 31.700 -0.116 0.000 0.786 105 E N -0.089 119.939 120.200 -0.288 0.000 2.274 105 E HA 0.055 4.405 4.350 -0.000 0.000 0.194 105 E C 0.991 177.146 176.600 -0.742 0.000 0.996 105 E CA 0.358 56.555 56.400 -0.337 0.000 0.840 105 E CB -0.876 28.723 29.700 -0.168 0.000 0.772 105 E HN 0.142 nan 8.360 nan 0.000 0.491 106 A N 2.309 124.441 122.820 -1.147 0.000 2.505 106 A HA 0.133 4.453 4.320 -0.000 0.000 0.271 106 A C 0.109 177.014 177.584 -1.133 0.000 1.112 106 A CA 0.056 50.945 52.037 -1.914 0.000 0.781 106 A CB -0.446 17.796 19.000 -1.264 0.000 1.059 106 A HN 0.230 nan 8.150 nan 0.000 0.508 107 Q N 2.214 121.392 119.800 -1.036 0.000 2.421 107 Q HA 0.529 4.869 4.340 -0.000 0.000 0.280 107 Q C -1.226 174.668 176.000 -0.177 0.000 1.085 107 Q CA -0.927 54.623 55.803 -0.423 0.000 0.807 107 Q CB 0.927 29.573 28.738 -0.154 0.000 1.405 107 Q HN 0.659 nan 8.270 nan 0.000 0.419 108 W N 0.626 121.981 121.300 0.092 0.000 2.034 108 W HA 0.157 4.817 4.660 -0.000 0.000 0.357 108 W C 1.674 178.300 176.519 0.179 0.000 1.326 108 W CA 0.103 57.556 57.345 0.180 0.000 1.318 108 W CB 0.584 30.170 29.460 0.210 0.000 1.193 108 W HN 0.734 nan 8.180 nan 0.000 0.620 109 T N 0.669 115.504 114.554 0.468 0.000 3.007 109 T HA -0.175 4.174 4.350 -0.000 0.000 0.270 109 T C 0.956 175.793 174.700 0.228 0.000 1.107 109 T CA 1.599 63.879 62.100 0.299 0.000 1.118 109 T CB -0.436 68.579 68.868 0.244 0.000 0.889 109 T HN 0.470 nan 8.240 nan 0.000 0.506 110 D N -0.078 120.474 120.400 0.253 0.000 2.358 110 D HA 0.101 4.741 4.640 -0.000 0.000 0.224 110 D C 0.553 176.951 176.300 0.163 0.000 1.123 110 D CA -0.160 53.951 54.000 0.185 0.000 0.833 110 D CB -1.087 39.821 40.800 0.181 0.000 0.946 110 D HN 0.516 nan 8.370 nan 0.000 0.505 111 N N -1.445 117.359 118.700 0.173 0.000 2.936 111 N HA -0.188 4.552 4.740 -0.000 0.000 0.236 111 N C -0.016 175.549 175.510 0.092 0.000 0.930 111 N CA 0.587 53.705 53.050 0.114 0.000 0.966 111 N CB -1.178 37.353 38.487 0.073 0.000 1.090 111 N HN 0.410 nan 8.380 nan 0.000 0.592 112 A N 1.145 124.052 122.820 0.144 0.000 2.425 112 A HA 0.400 4.719 4.320 -0.000 0.000 0.249 112 A C -1.950 175.726 177.584 0.154 0.000 1.084 112 A CA -0.673 51.414 52.037 0.084 0.000 0.781 112 A CB 0.243 19.196 19.000 -0.079 0.000 1.019 112 A HN 0.054 nan 8.150 nan 0.000 0.490 113 P HA 0.199 nan 4.420 nan 0.000 0.275 113 P C -0.605 176.691 177.300 -0.008 0.000 1.227 113 P CA 0.093 63.166 63.100 -0.046 0.000 0.781 113 P CB 0.505 32.164 31.700 -0.067 0.000 0.906 114 I N 2.086 122.462 120.570 -0.323 0.000 2.436 114 I HA 0.312 4.482 4.170 -0.000 0.000 0.289 114 I C 0.940 177.026 176.117 -0.052 0.000 1.083 114 I CA 0.314 61.411 61.300 -0.337 0.000 1.372 114 I CB 0.115 37.682 38.000 -0.722 0.000 1.408 114 I HN 0.415 nan 8.210 nan 0.000 0.516 115 A N 4.843 127.757 122.820 0.157 0.000 2.524 115 A HA 0.815 5.135 4.320 -0.000 0.000 0.286 115 A C 0.817 178.520 177.584 0.198 0.000 1.203 115 A CA -0.035 52.068 52.037 0.109 0.000 0.736 115 A CB 0.778 19.820 19.000 0.070 0.000 1.322 115 A HN 0.670 nan 8.150 nan 0.000 0.424 116 A N -0.596 122.264 122.820 0.067 0.000 2.024 116 A HA -0.098 4.221 4.320 -0.000 0.000 0.220 116 A C 1.324 179.059 177.584 0.251 0.000 1.164 116 A CA 2.378 54.449 52.037 0.057 0.000 0.643 116 A CB -0.713 18.258 19.000 -0.048 0.000 0.806 116 A HN 0.729 nan 8.150 nan 0.000 0.451 117 D N 0.464 120.998 120.400 0.224 0.000 2.149 117 D HA -0.133 4.507 4.640 -0.000 0.000 0.198 117 D C 1.308 177.887 176.300 0.466 0.000 0.990 117 D CA 1.369 55.540 54.000 0.285 0.000 0.839 117 D CB -0.284 40.609 40.800 0.155 0.000 0.948 117 D HN 0.456 nan 8.370 nan 0.000 0.460 118 D N -0.634 120.045 120.400 0.465 0.000 2.144 118 D HA -0.136 4.504 4.640 -0.000 0.000 0.200 118 D C 1.981 178.579 176.300 0.496 0.000 0.978 118 D CA 0.641 54.948 54.000 0.513 0.000 0.833 118 D CB -0.250 40.918 40.800 0.613 0.000 0.961 118 D HN 0.319 nan 8.370 nan 0.000 0.470 119 Y N -0.158 120.313 120.300 0.285 0.000 2.114 119 Y HA -0.174 4.376 4.550 -0.000 0.000 0.284 119 Y C 2.381 178.526 175.900 0.409 0.000 1.143 119 Y CA 0.881 59.078 58.100 0.162 0.000 1.135 119 Y CB -0.837 37.437 38.460 -0.312 0.000 0.980 119 Y HN 0.086 nan 8.280 nan 0.000 0.499 120 W N -0.440 121.101 121.300 0.401 0.000 2.318 120 W HA -0.361 4.299 4.660 -0.000 0.000 0.313 120 W C 2.427 179.189 176.519 0.405 0.000 1.221 120 W CA 2.280 59.893 57.345 0.446 0.000 1.266 120 W CB -0.930 28.724 29.460 0.324 0.000 1.150 120 W HN 0.232 nan 8.180 nan 0.000 0.496 121 Y N 0.357 120.920 120.300 0.439 0.000 2.145 121 Y HA -0.250 4.300 4.550 -0.000 0.000 0.286 121 Y C 2.294 178.131 175.900 -0.104 0.000 1.145 121 Y CA 2.293 60.469 58.100 0.126 0.000 1.148 121 Y CB -1.026 37.590 38.460 0.260 0.000 0.981 121 Y HN 0.026 nan 8.280 nan 0.000 0.507 122 L N -0.315 120.943 121.223 0.058 0.000 2.046 122 L HA -0.163 4.176 4.340 -0.000 0.000 0.208 122 L C 2.181 178.840 176.870 -0.352 0.000 1.077 122 L CA 2.133 56.868 54.840 -0.176 0.000 0.747 122 L CB -1.203 40.893 42.059 0.061 0.000 0.896 122 L HN 0.572 nan 8.230 nan 0.000 0.432 123 W N 0.616 121.789 121.300 -0.212 0.000 2.333 123 W HA -0.212 4.447 4.660 -0.000 0.000 0.316 123 W C 2.444 178.671 176.519 -0.487 0.000 1.215 123 W CA 1.545 58.745 57.345 -0.243 0.000 1.278 123 W CB -0.397 29.082 29.460 0.032 0.000 1.154 123 W HN -0.011 nan 8.180 nan 0.000 0.486 124 R N 0.278 120.164 120.500 -1.023 0.000 2.096 124 R HA -0.145 4.195 4.340 -0.000 0.000 0.235 124 R C 2.067 177.774 176.300 -0.988 0.000 1.127 124 R CA 1.601 56.938 56.100 -1.271 0.000 0.968 124 R CB -1.248 28.245 30.300 -1.345 0.000 0.861 124 R HN 0.370 nan 8.270 nan 0.000 0.440 125 Q N -0.200 118.963 119.800 -1.060 0.000 2.046 125 Q HA 0.020 4.360 4.340 -0.000 0.000 0.200 125 Q C 2.013 177.421 176.000 -0.988 0.000 0.975 125 Q CA 0.983 56.058 55.803 -1.214 0.000 0.836 125 Q CB -0.202 27.375 28.738 -1.936 0.000 0.896 125 Q HN 0.215 nan 8.270 nan 0.000 0.428 126 M N -0.116 118.946 119.600 -0.896 0.000 2.279 126 M HA -0.086 4.394 4.480 -0.000 0.000 0.264 126 M C 2.039 178.061 176.300 -0.463 0.000 1.062 126 M CA 0.864 55.738 55.300 -0.710 0.000 1.099 126 M CB -0.599 31.313 32.600 -1.147 0.000 1.394 126 M HN -0.030 nan 8.290 nan 0.000 0.426 127 V N -0.643 118.978 119.914 -0.489 0.000 2.992 127 V HA -0.052 4.067 4.120 -0.000 0.000 0.250 127 V C 2.172 178.065 176.094 -0.334 0.000 1.090 127 V CA 1.471 63.561 62.300 -0.350 0.000 1.101 127 V CB -0.137 31.452 31.823 -0.389 0.000 0.743 127 V HN 0.541 nan 8.190 nan 0.000 0.468 128 S N -2.003 113.447 115.700 -0.417 0.000 2.497 128 S HA 0.148 4.617 4.470 -0.000 0.000 0.221 128 S C 0.898 175.341 174.600 -0.261 0.000 1.037 128 S CA -0.242 57.762 58.200 -0.328 0.000 0.920 128 S CB 0.053 63.033 63.200 -0.367 0.000 0.800 128 S HN 0.420 nan 8.310 nan 0.000 0.505 129 Q N 3.371 122.987 119.800 -0.306 0.000 2.286 129 Q HA 0.443 4.783 4.340 -0.000 0.000 0.257 129 Q C -2.562 173.370 176.000 -0.113 0.000 0.941 129 Q CA -2.300 53.387 55.803 -0.192 0.000 0.912 129 Q CB 0.693 29.311 28.738 -0.199 0.000 1.192 129 Q HN 0.335 nan 8.270 nan 0.000 0.410 130 P HA 0.055 nan 4.420 nan 0.000 0.272 130 P C 0.317 177.580 177.300 -0.062 0.000 1.223 130 P CA 0.201 63.288 63.100 -0.021 0.000 0.784 130 P CB 0.545 32.275 31.700 0.050 0.000 0.923 131 G N 0.543 109.231 108.800 -0.186 0.000 2.221 131 G HA2 -0.141 3.818 3.960 -0.000 0.000 0.265 131 G HA3 -0.141 3.818 3.960 -0.000 0.000 0.265 131 G C 0.044 174.728 174.900 -0.359 0.000 1.041 131 G CA 0.134 44.876 45.100 -0.597 0.000 0.807 131 G HN 0.700 nan 8.290 nan 0.000 0.502 132 V N -2.729 117.077 119.914 -0.180 0.000 2.837 132 V HA 0.814 4.934 4.120 -0.000 0.000 0.310 132 V C 1.097 177.148 176.094 -0.071 0.000 1.059 132 V CA -1.157 61.099 62.300 -0.074 0.000 1.004 132 V CB 1.949 33.751 31.823 -0.035 0.000 1.045 132 V HN 0.533 nan 8.190 nan 0.000 0.465 133 V N 3.159 123.071 119.914 -0.003 0.000 2.485 133 V HA 0.071 4.191 4.120 -0.000 0.000 0.287 133 V C 0.451 176.573 176.094 0.046 0.000 1.022 133 V CA 0.139 62.452 62.300 0.022 0.000 1.067 133 V CB -0.243 31.619 31.823 0.065 0.000 0.967 133 V HN 1.100 nan 8.190 nan 0.000 0.479 134 D N 7.110 127.525 120.400 0.025 0.000 3.939 134 D HA -0.153 4.487 4.640 -0.000 0.000 0.187 134 D C -1.653 174.697 176.300 0.083 0.000 1.256 134 D CA 0.295 54.318 54.000 0.039 0.000 0.750 134 D CB -0.055 40.776 40.800 0.051 0.000 0.973 134 D HN 0.540 nan 8.370 nan 0.000 0.481 135 P HA 0.105 nan 4.420 nan 0.000 0.257 135 P C 1.093 178.444 177.300 0.085 0.000 1.325 135 P CA 0.063 63.239 63.100 0.128 0.000 0.850 135 P CB 0.420 32.132 31.700 0.020 0.000 1.324 136 A N 0.830 123.666 122.820 0.026 0.000 1.978 136 A HA -0.086 4.234 4.320 -0.000 0.000 0.220 136 A C 2.381 179.878 177.584 -0.146 0.000 1.170 136 A CA 2.070 54.092 52.037 -0.026 0.000 0.636 136 A CB -1.738 17.261 19.000 -0.002 0.000 0.810 136 A HN 0.314 nan 8.150 nan 0.000 0.448 137 G N -1.880 106.760 108.800 -0.267 0.000 2.394 137 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.215 137 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.215 137 G C 1.448 176.076 174.900 -0.453 0.000 1.165 137 G CA 0.989 45.600 45.100 -0.816 0.000 0.784 137 G HN 0.568 nan 8.290 nan 0.000 0.535 138 Y N 1.109 121.311 120.300 -0.164 0.000 2.224 138 Y HA -0.090 4.460 4.550 -0.000 0.000 0.289 138 Y C 2.613 178.535 175.900 0.036 0.000 1.146 138 Y CA 1.257 59.326 58.100 -0.052 0.000 1.182 138 Y CB 0.084 38.515 38.460 -0.049 0.000 0.983 138 Y HN 0.153 nan 8.280 nan 0.000 0.524 139 D N 0.086 120.562 120.400 0.126 0.000 2.263 139 D HA -0.124 4.516 4.640 -0.000 0.000 0.208 139 D C 1.737 178.086 176.300 0.082 0.000 0.971 139 D CA 0.985 55.041 54.000 0.094 0.000 0.867 139 D CB -0.011 40.808 40.800 0.031 0.000 0.929 139 D HN 0.390 nan 8.370 nan 0.000 0.492 140 L N 0.530 121.770 121.223 0.029 0.000 2.492 140 L HA 0.109 4.449 4.340 -0.000 0.000 0.223 140 L C 1.054 177.953 176.870 0.049 0.000 1.132 140 L CA -0.013 54.871 54.840 0.074 0.000 0.850 140 L CB 0.104 42.215 42.059 0.087 0.000 0.966 140 L HN -0.125 nan 8.230 nan 0.000 0.454 141 I N -0.065 120.428 120.570 -0.128 0.000 2.556 141 I HA -0.068 4.102 4.170 -0.000 0.000 0.284 141 I C 1.309 177.246 176.117 -0.300 0.000 1.114 141 I CA 0.256 61.226 61.300 -0.550 0.000 1.418 141 I CB 1.228 38.644 38.000 -0.972 0.000 1.394 141 I HN -0.037 nan 8.210 nan 0.000 0.552 142 T N 3.825 118.162 114.554 -0.362 0.000 3.040 142 T HA 0.242 4.592 4.350 -0.000 0.000 0.252 142 T C 0.487 175.077 174.700 -0.183 0.000 1.064 142 T CA 0.380 62.403 62.100 -0.128 0.000 1.110 142 T CB 0.423 69.258 68.868 -0.055 0.000 0.921 142 T HN 0.890 nan 8.240 nan 0.000 0.480 143 G N -0.052 108.420 108.800 -0.546 0.000 2.519 143 G HA2 0.484 4.444 3.960 -0.000 0.000 0.292 143 G HA3 0.484 4.444 3.960 -0.000 0.000 0.292 143 G C -2.158 172.414 174.900 -0.547 0.000 1.507 143 G CA -0.536 44.279 45.100 -0.475 0.000 0.806 143 G HN 0.030 nan 8.290 nan 0.000 0.523 144 V N 1.633 121.420 119.914 -0.211 0.000 2.447 144 V HA 0.483 4.603 4.120 -0.000 0.000 0.292 144 V C -0.107 176.090 176.094 0.172 0.000 1.021 144 V CA -0.715 61.586 62.300 0.002 0.000 0.850 144 V CB 1.140 33.066 31.823 0.172 0.000 1.005 144 V HN 0.940 nan 8.190 nan 0.000 0.426 145 Q N 2.495 122.320 119.800 0.041 0.000 2.274 145 Q HA 0.724 5.064 4.340 -0.000 0.000 0.260 145 Q C -0.420 175.572 176.000 -0.014 0.000 0.974 145 Q CA -0.509 55.308 55.803 0.023 0.000 0.876 145 Q CB 2.157 30.893 28.738 -0.004 0.000 1.297 145 Q HN 0.504 nan 8.270 nan 0.000 0.446 146 S N 2.011 117.694 115.700 -0.028 0.000 2.438 146 S HA 0.513 4.983 4.470 -0.000 0.000 0.293 146 S C -0.729 173.838 174.600 -0.055 0.000 1.141 146 S CA -0.449 57.722 58.200 -0.048 0.000 1.080 146 S CB 0.566 63.733 63.200 -0.055 0.000 0.978 146 S HN 0.487 nan 8.310 nan 0.000 0.479 147 V N 4.451 124.328 119.914 -0.062 0.000 2.962 147 V HA 0.566 4.685 4.120 -0.000 0.000 0.313 147 V C -0.651 175.406 176.094 -0.061 0.000 1.099 147 V CA -0.788 61.477 62.300 -0.058 0.000 0.971 147 V CB 1.884 33.672 31.823 -0.058 0.000 1.028 147 V HN 0.918 nan 8.190 nan 0.000 0.430 148 E N 2.176 122.344 120.200 -0.054 0.000 2.287 148 E HA -0.212 4.138 4.350 -0.000 0.000 0.229 148 E C 0.942 177.508 176.600 -0.056 0.000 1.194 148 E CA 1.005 57.373 56.400 -0.054 0.000 0.704 148 E CB -1.484 28.182 29.700 -0.056 0.000 1.216 148 E HN 1.721 nan 8.360 nan 0.000 0.381 149 G N -1.021 107.748 108.800 -0.052 0.000 2.249 149 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.273 149 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.273 149 G C 1.083 175.950 174.900 -0.055 0.000 1.036 149 G CA 1.243 46.312 45.100 -0.052 0.000 0.824 149 G HN 1.624 nan 8.290 nan 0.000 0.504 150 G N -1.167 107.600 108.800 -0.056 0.000 2.199 150 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.254 150 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.254 150 G C 1.127 175.986 174.900 -0.068 0.000 0.982 150 G CA 1.183 46.252 45.100 -0.052 0.000 0.632 150 G HN 0.807 nan 8.290 nan 0.000 0.529 151 K N 0.272 120.624 120.400 -0.079 0.000 2.487 151 K HA 0.164 4.484 4.320 -0.000 0.000 0.192 151 K C 0.971 177.507 176.600 -0.107 0.000 1.027 151 K CA 0.474 56.705 56.287 -0.095 0.000 1.054 151 K CB 0.426 32.872 32.500 -0.090 0.000 0.824 151 K HN 0.655 nan 8.250 nan 0.000 0.510 152 Q N -0.117 119.618 119.800 -0.109 0.000 2.304 152 Q HA 0.506 4.846 4.340 -0.000 0.000 0.270 152 Q C -1.776 174.137 176.000 -0.146 0.000 1.035 152 Q CA -0.459 55.273 55.803 -0.117 0.000 0.781 152 Q CB 2.119 30.806 28.738 -0.086 0.000 1.261 152 Q HN 0.074 nan 8.270 nan 0.000 0.444 153 A N 3.525 126.226 122.820 -0.198 0.000 2.291 153 A HA 0.598 4.918 4.320 -0.000 0.000 0.311 153 A C -1.008 176.520 177.584 -0.094 0.000 1.224 153 A CA -0.499 51.400 52.037 -0.229 0.000 0.821 153 A CB 1.067 19.698 19.000 -0.616 0.000 1.172 153 A HN 0.486 nan 8.150 nan 0.000 0.494 154 V N 3.974 123.839 119.914 -0.081 0.000 2.328 154 V HA 0.296 4.416 4.120 -0.000 0.000 0.278 154 V C -0.146 175.902 176.094 -0.077 0.000 1.021 154 V CA -0.459 61.799 62.300 -0.071 0.000 0.838 154 V CB 1.095 32.871 31.823 -0.078 0.000 0.999 154 V HN 0.590 nan 8.190 nan 0.000 0.447 155 V N 4.449 124.331 119.914 -0.054 0.000 2.370 155 V HA 0.399 4.519 4.120 -0.000 0.000 0.279 155 V C 0.498 176.476 176.094 -0.192 0.000 1.029 155 V CA -0.147 62.077 62.300 -0.127 0.000 0.870 155 V CB 1.694 33.559 31.823 0.070 0.000 0.984 155 V HN 0.896 nan 8.190 nan 0.000 0.451 156 T N 5.765 120.134 114.554 -0.308 0.000 2.867 156 T HA 0.699 5.049 4.350 -0.000 0.000 0.282 156 T C -0.668 173.829 174.700 -0.338 0.000 1.000 156 T CA -0.021 61.965 62.100 -0.190 0.000 1.042 156 T CB 0.812 69.611 68.868 -0.116 0.000 0.973 156 T HN 0.308 nan 8.240 nan 0.000 0.465 157 F N 0.616 120.587 119.950 0.036 0.000 2.561 157 F HA 0.367 4.894 4.527 -0.000 0.000 0.321 157 F C 1.592 177.448 175.800 0.093 0.000 1.065 157 F CA -0.988 57.076 58.000 0.106 0.000 0.934 157 F CB 1.826 41.018 39.000 0.320 0.000 1.215 157 F HN 0.604 nan 8.300 nan 0.000 0.471 158 S N -0.000 115.850 115.700 0.251 0.000 2.527 158 S HA 0.093 4.563 4.470 -0.000 0.000 0.222 158 S C 0.020 174.705 174.600 0.142 0.000 0.985 158 S CA 0.361 58.653 58.200 0.154 0.000 0.921 158 S CB -0.470 62.794 63.200 0.105 0.000 0.772 158 S HN 0.741 nan 8.310 nan 0.000 0.529 159 Q N -1.056 118.848 119.800 0.173 0.000 2.687 159 Q HA 0.566 4.906 4.340 -0.000 0.000 0.295 159 Q C -3.538 172.410 176.000 -0.087 0.000 0.920 159 Q CA -2.332 53.505 55.803 0.057 0.000 0.766 159 Q CB 0.263 29.016 28.738 0.025 0.000 1.467 159 Q HN -0.054 nan 8.270 nan 0.000 0.415 160 P HA 0.025 nan 4.420 nan 0.000 0.268 160 P C -1.697 175.244 177.300 -0.598 0.000 1.204 160 P CA 0.293 62.899 63.100 -0.823 0.000 0.768 160 P CB 0.032 31.423 31.700 -0.515 0.000 0.842 161 Y N 5.637 125.281 120.300 -1.092 0.000 2.535 161 Y HA 0.357 4.907 4.550 -0.000 0.000 0.341 161 Y C -2.145 173.591 175.900 -0.272 0.000 1.041 161 Y CA -2.917 54.877 58.100 -0.510 0.000 1.307 161 Y CB 1.084 39.311 38.460 -0.389 0.000 1.095 161 Y HN 0.331 nan 8.280 nan 0.000 0.534 162 P HA -0.089 nan 4.420 nan 0.000 0.221 162 P C 0.767 177.779 177.300 -0.480 0.000 1.145 162 P CA 1.748 64.675 63.100 -0.288 0.000 0.795 162 P CB 0.321 31.878 31.700 -0.237 0.000 0.775 163 A N -0.570 121.663 122.820 -0.979 0.000 2.411 163 A HA 0.026 4.346 4.320 -0.000 0.000 0.251 163 A C 1.534 178.615 177.584 -0.838 0.000 1.317 163 A CA -0.587 50.898 52.037 -0.920 0.000 0.904 163 A CB -1.531 17.008 19.000 -0.768 0.000 0.993 163 A HN 0.361 nan 8.150 nan 0.000 0.504 164 W N 0.213 121.139 121.300 -0.622 0.000 2.387 164 W HA -0.177 4.483 4.660 -0.000 0.000 0.272 164 W C 0.995 177.447 176.519 -0.111 0.000 1.224 164 W CA 0.769 58.049 57.345 -0.109 0.000 1.210 164 W CB -0.643 28.850 29.460 0.055 0.000 1.125 164 W HN 0.364 nan 8.180 nan 0.000 0.572 165 R N 1.128 120.971 120.500 -1.095 0.000 2.285 165 R HA -0.071 4.269 4.340 -0.000 0.000 0.213 165 R C 1.679 177.509 176.300 -0.782 0.000 1.068 165 R CA 1.293 56.564 56.100 -1.381 0.000 1.004 165 R CB -0.190 28.992 30.300 -1.864 0.000 0.873 165 R HN 0.384 nan 8.270 nan 0.000 0.467 166 E N 0.300 120.082 120.200 -0.697 0.000 2.478 166 E HA 0.056 4.406 4.350 -0.000 0.000 0.194 166 E C 0.035 176.435 176.600 -0.332 0.000 1.045 166 E CA 0.044 55.977 56.400 -0.779 0.000 0.868 166 E CB 0.290 29.498 29.700 -0.821 0.000 0.885 166 E HN 0.246 nan 8.360 nan 0.000 0.505 167 L N 0.273 121.409 121.223 -0.144 0.000 2.421 167 L HA 0.244 4.584 4.340 -0.000 0.000 0.263 167 L C 0.047 176.978 176.870 0.102 0.000 1.122 167 L CA -0.499 54.194 54.840 -0.244 0.000 0.804 167 L CB 0.119 41.931 42.059 -0.413 0.000 1.150 167 L HN 0.131 nan 8.230 nan 0.000 0.457 168 F N 0.065 120.170 119.950 0.259 0.000 3.074 168 F HA -0.273 4.254 4.527 -0.000 0.000 0.287 168 F C 0.276 176.156 175.800 0.132 0.000 0.932 168 F CA 0.033 58.090 58.000 0.096 0.000 0.995 168 F CB -1.781 37.111 39.000 -0.180 0.000 0.966 168 F HN 0.578 nan 8.300 nan 0.000 0.721 169 N N 0.688 119.594 118.700 0.342 0.000 2.404 169 N HA 0.295 5.034 4.740 -0.000 0.000 0.297 169 N C -0.048 175.685 175.510 0.371 0.000 1.163 169 N CA -0.542 52.711 53.050 0.339 0.000 0.864 169 N CB 0.859 39.540 38.487 0.323 0.000 1.247 169 N HN 0.080 nan 8.380 nan 0.000 0.510 170 D N 0.451 121.036 120.400 0.308 0.000 2.697 170 D HA -0.172 4.467 4.640 -0.000 0.000 0.238 170 D C -0.166 176.399 176.300 0.443 0.000 1.152 170 D CA 0.691 54.866 54.000 0.292 0.000 0.666 170 D CB -1.170 39.687 40.800 0.095 0.000 1.037 170 D HN 0.447 nan 8.370 nan 0.000 0.423 171 I N 0.236 121.037 120.570 0.386 0.000 2.634 171 I HA 0.053 4.223 4.170 -0.000 0.000 0.284 171 I C 1.236 177.698 176.117 0.575 0.000 1.124 171 I CA -0.096 61.454 61.300 0.416 0.000 1.417 171 I CB 0.515 38.686 38.000 0.285 0.000 1.396 171 I HN -0.039 nan 8.210 nan 0.000 0.571 172 L N 7.374 128.883 121.223 0.477 0.000 2.334 172 L HA 0.471 4.811 4.340 -0.000 0.000 0.272 172 L C -2.264 174.535 176.870 -0.118 0.000 1.020 172 L CA -2.032 52.957 54.840 0.248 0.000 0.812 172 L CB 1.394 43.608 42.059 0.259 0.000 1.264 172 L HN 0.349 nan 8.230 nan 0.000 0.439 173 P HA 0.060 nan 4.420 nan 0.000 0.274 173 P C 0.242 177.109 177.300 -0.722 0.000 1.291 173 P CA -0.088 62.177 63.100 -1.392 0.000 0.815 173 P CB 1.240 31.887 31.700 -1.754 0.000 0.897 174 A N 4.993 127.574 122.820 -0.398 0.000 1.908 174 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 174 A C 1.961 179.217 177.584 -0.546 0.000 1.181 174 A CA 1.694 53.339 52.037 -0.653 0.000 0.627 174 A CB -1.659 17.204 19.000 -0.228 0.000 0.818 174 A HN 0.707 nan 8.150 nan 0.000 0.445 175 H N -1.311 117.547 119.070 -0.353 0.000 2.521 175 H HA 0.024 4.580 4.556 -0.000 0.000 0.286 175 H C 1.596 176.789 175.328 -0.226 0.000 1.034 175 H CA 1.248 57.155 56.048 -0.234 0.000 1.278 175 H CB -0.409 29.261 29.762 -0.153 0.000 1.386 175 H HN 0.413 nan 8.280 nan 0.000 0.567 176 I N 0.873 120.969 120.570 -0.790 0.000 2.681 176 I HA -0.098 4.072 4.170 -0.000 0.000 0.247 176 I C 2.667 178.593 176.117 -0.318 0.000 1.091 176 I CA 0.365 61.333 61.300 -0.555 0.000 1.442 176 I CB -0.803 36.802 38.000 -0.659 0.000 1.219 176 I HN 0.076 nan 8.210 nan 0.000 0.451 177 V N 1.463 121.186 119.914 -0.319 0.000 2.490 177 V HA -0.247 3.873 4.120 -0.000 0.000 0.250 177 V C 2.534 178.610 176.094 -0.030 0.000 1.061 177 V CA 1.561 63.791 62.300 -0.116 0.000 1.064 177 V CB -0.888 30.951 31.823 0.027 0.000 0.670 177 V HN 0.410 nan 8.190 nan 0.000 0.461 178 K N -0.180 120.139 120.400 -0.135 0.000 2.103 178 K HA -0.224 4.096 4.320 -0.000 0.000 0.207 178 K C 1.467 178.070 176.600 0.005 0.000 1.048 178 K CA 1.849 58.129 56.287 -0.013 0.000 0.930 178 K CB -0.048 32.407 32.500 -0.076 0.000 0.716 178 K HN 0.453 nan 8.250 nan 0.000 0.444 179 D N -0.080 120.295 120.400 -0.041 0.000 2.392 179 D HA 0.085 4.725 4.640 -0.000 0.000 0.206 179 D C 0.489 176.777 176.300 -0.020 0.000 1.046 179 D CA -0.037 53.949 54.000 -0.023 0.000 0.865 179 D CB 0.372 41.153 40.800 -0.033 0.000 0.969 179 D HN 0.172 nan 8.370 nan 0.000 0.509 180 I N 2.199 122.750 120.570 -0.032 0.000 2.692 180 I HA 0.038 4.208 4.170 -0.000 0.000 0.284 180 I C -2.052 174.065 176.117 -0.001 0.000 1.159 180 I CA -1.700 59.586 61.300 -0.025 0.000 1.423 180 I CB 0.899 38.874 38.000 -0.042 0.000 1.380 180 I HN -0.266 nan 8.210 nan 0.000 0.580 181 P HA 0.086 nan 4.420 nan 0.000 0.263 181 P C 0.426 177.734 177.300 0.014 0.000 1.195 181 P CA 0.707 63.812 63.100 0.008 0.000 0.762 181 P CB 0.513 32.216 31.700 0.005 0.000 0.799 182 G N 2.325 111.138 108.800 0.023 0.000 2.258 182 G HA2 -0.061 3.898 3.960 -0.000 0.000 0.233 182 G HA3 -0.061 3.898 3.960 -0.000 0.000 0.233 182 G C 0.732 175.661 174.900 0.047 0.000 1.006 182 G CA 0.171 45.288 45.100 0.028 0.000 0.620 182 G HN 0.959 nan 8.290 nan 0.000 0.511 183 G N -0.293 108.541 108.800 0.056 0.000 2.582 183 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.288 183 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.288 183 G C 0.822 175.807 174.900 0.141 0.000 1.247 183 G CA 1.018 46.182 45.100 0.107 0.000 0.972 183 G HN 1.435 nan 8.290 nan 0.000 0.557 184 F N 2.342 122.321 119.950 0.048 0.000 2.134 184 F HA 0.116 4.643 4.527 -0.000 0.000 0.299 184 F C 2.693 178.499 175.800 0.010 0.000 1.097 184 F CA 3.000 61.020 58.000 0.034 0.000 1.264 184 F CB -0.561 38.421 39.000 -0.029 0.000 1.001 184 F HN 0.562 nan 8.300 nan 0.000 0.479 185 G N -1.304 107.578 108.800 0.137 0.000 2.421 185 G HA2 0.076 4.036 3.960 -0.000 0.000 0.217 185 G HA3 0.076 4.036 3.960 -0.000 0.000 0.217 185 G C 1.295 176.189 174.900 -0.010 0.000 1.143 185 G CA 0.650 45.783 45.100 0.056 0.000 0.784 185 G HN 0.568 nan 8.290 nan 0.000 0.541 186 A N -0.881 121.939 122.820 -0.001 0.000 2.591 186 A HA 0.513 4.833 4.320 -0.000 0.000 0.204 186 A C 2.160 179.743 177.584 -0.001 0.000 1.410 186 A CA 1.135 53.170 52.037 -0.002 0.000 1.065 186 A CB -0.174 18.835 19.000 0.015 0.000 1.362 186 A HN 0.362 nan 8.150 nan 0.000 0.566 187 G N 0.346 109.145 108.800 -0.001 0.000 2.448 187 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.219 187 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.219 187 G C 1.087 175.989 174.900 0.002 0.000 1.127 187 G CA 1.095 46.196 45.100 0.003 0.000 0.766 187 G HN 0.414 nan 8.290 nan 0.000 0.552 188 L N 0.663 121.882 121.223 -0.006 0.000 2.741 188 L HA 0.350 4.690 4.340 -0.000 0.000 0.237 188 L C 2.642 179.593 176.870 0.135 0.000 1.178 188 L CA 0.047 54.912 54.840 0.041 0.000 0.973 188 L CB 0.324 42.390 42.059 0.010 0.000 1.255 188 L HN 0.215 nan 8.230 nan 0.000 0.498 189 A N 0.515 123.384 122.820 0.081 0.000 1.902 189 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 189 A C 2.002 179.722 177.584 0.227 0.000 1.181 189 A CA 1.307 53.392 52.037 0.081 0.000 0.623 189 A CB -0.009 19.006 19.000 0.025 0.000 0.818 189 A HN 0.317 nan 8.150 nan 0.000 0.443 190 R N -1.685 118.928 120.500 0.189 0.000 2.592 190 R HA 0.531 4.871 4.340 -0.000 0.000 0.439 190 R C -0.741 175.590 176.300 0.052 0.000 0.995 190 R CA 0.725 56.930 56.100 0.175 0.000 1.141 190 R CB 0.216 30.575 30.300 0.098 0.000 1.495 190 R HN 0.441 nan 8.270 nan 0.000 0.579 191 A N 0.674 123.510 122.820 0.026 0.000 2.547 191 A HA 0.742 5.062 4.320 -0.000 0.000 0.297 191 A C -0.688 176.844 177.584 -0.086 0.000 1.056 191 A CA -0.489 51.515 52.037 -0.055 0.000 0.688 191 A CB 1.500 20.484 19.000 -0.026 0.000 1.282 191 A HN 0.066 nan 8.150 nan 0.000 0.400 192 M N 3.760 123.281 119.600 -0.130 0.000 2.850 192 M HA 0.215 4.695 4.480 -0.000 0.000 0.288 192 M C -2.107 174.151 176.300 -0.070 0.000 1.450 192 M CA -1.205 54.032 55.300 -0.106 0.000 0.555 192 M CB 1.025 33.528 32.600 -0.161 0.000 1.507 192 M HN 0.592 nan 8.290 nan 0.000 0.415 193 P HA 0.035 nan 4.420 nan 0.000 0.219 193 P C 0.314 177.605 177.300 -0.016 0.000 1.150 193 P CA 0.775 63.851 63.100 -0.040 0.000 0.814 193 P CB 0.819 32.490 31.700 -0.048 0.000 0.787 194 V N 0.728 120.622 119.914 -0.033 0.000 2.483 194 V HA 0.389 4.509 4.120 -0.000 0.000 0.297 194 V C 0.286 176.435 176.094 0.092 0.000 1.027 194 V CA -0.336 61.973 62.300 0.014 0.000 0.855 194 V CB 1.694 33.460 31.823 -0.094 0.000 0.995 194 V HN 0.208 nan 8.190 nan 0.000 0.424 195 T N 0.561 115.273 114.554 0.264 0.000 2.742 195 T HA 0.834 5.184 4.350 -0.000 0.000 0.282 195 T C 0.141 175.208 174.700 0.612 0.000 1.025 195 T CA -0.339 62.001 62.100 0.400 0.000 1.020 195 T CB 2.294 71.295 68.868 0.221 0.000 1.317 195 T HN 0.972 nan 8.240 nan 0.000 0.538 196 G N -0.796 108.302 108.800 0.497 0.000 4.677 196 G HA2 0.596 4.556 3.960 -0.000 0.000 0.225 196 G HA3 0.596 4.556 3.960 -0.000 0.000 0.225 196 G C -0.141 174.966 174.900 0.344 0.000 0.876 196 G CA -0.006 45.321 45.100 0.380 0.000 0.652 196 G HN 1.093 nan 8.290 nan 0.000 0.481 197 G N -0.912 107.987 108.800 0.166 0.000 2.827 197 G HA2 0.423 4.382 3.960 -0.000 0.000 0.296 197 G HA3 0.423 4.382 3.960 -0.000 0.000 0.296 197 G C 0.410 174.855 174.900 -0.759 0.000 1.362 197 G CA -0.241 44.768 45.100 -0.152 0.000 0.809 197 G HN 0.153 nan 8.290 nan 0.000 0.522 198 Q N -1.421 117.585 119.800 -1.324 0.000 2.112 198 Q HA -0.031 4.309 4.340 -0.000 0.000 0.206 198 Q C -0.059 175.347 176.000 -0.989 0.000 0.987 198 Q CA 1.337 56.112 55.803 -1.715 0.000 0.858 198 Q CB -0.095 27.942 28.738 -1.169 0.000 0.905 198 Q HN 0.402 nan 8.270 nan 0.000 0.420 199 F N -0.396 119.309 119.950 -0.409 0.000 2.483 199 F HA 0.385 4.912 4.527 -0.000 0.000 0.329 199 F C 0.189 175.915 175.800 -0.124 0.000 1.064 199 F CA -1.034 56.839 58.000 -0.212 0.000 0.986 199 F CB 1.279 40.186 39.000 -0.154 0.000 1.218 199 F HN -0.051 nan 8.300 nan 0.000 0.484 200 R N -0.153 120.437 120.500 0.152 0.000 2.892 200 R HA 0.821 5.161 4.340 -0.000 0.000 0.265 200 R C -2.032 174.311 176.300 0.071 0.000 1.025 200 R CA -0.975 55.184 56.100 0.099 0.000 0.982 200 R CB 1.288 31.640 30.300 0.085 0.000 1.185 200 R HN 0.363 nan 8.270 nan 0.000 0.484 201 V N 2.409 122.333 119.914 0.017 0.000 2.368 201 V HA 0.056 4.176 4.120 -0.000 0.000 0.266 201 V C 0.850 176.929 176.094 -0.024 0.000 1.045 201 V CA -0.088 62.187 62.300 -0.043 0.000 0.899 201 V CB 0.639 32.386 31.823 -0.126 0.000 1.006 201 V HN 0.965 nan 8.190 nan 0.000 0.470 202 E N 4.071 124.265 120.200 -0.010 0.000 2.030 202 E HA -0.008 4.342 4.350 -0.000 0.000 0.189 202 E C 0.848 177.436 176.600 -0.020 0.000 0.974 202 E CA 1.270 57.670 56.400 0.001 0.000 0.807 202 E CB 0.284 29.997 29.700 0.022 0.000 0.771 202 E HN 0.819 nan 8.360 nan 0.000 0.451 203 T N -1.647 112.887 114.554 -0.032 0.000 2.933 203 T HA 0.636 4.986 4.350 -0.000 0.000 0.305 203 T C -0.370 174.286 174.700 -0.073 0.000 1.092 203 T CA -0.759 61.316 62.100 -0.041 0.000 1.008 203 T CB 1.182 70.041 68.868 -0.014 0.000 1.102 203 T HN 0.064 nan 8.240 nan 0.000 0.469 204 I N 2.387 122.905 120.570 -0.087 0.000 2.411 204 I HA 0.373 4.543 4.170 -0.000 0.000 0.284 204 I C -0.857 175.247 176.117 -0.021 0.000 1.012 204 I CA -0.540 60.703 61.300 -0.095 0.000 1.119 204 I CB 1.523 39.407 38.000 -0.194 0.000 1.261 204 I HN 0.674 nan 8.210 nan 0.000 0.448 205 D N 9.073 129.479 120.400 0.010 0.000 2.461 205 D HA 0.323 4.963 4.640 -0.000 0.000 0.240 205 D C -2.021 174.305 176.300 0.043 0.000 1.094 205 D CA -2.176 51.839 54.000 0.024 0.000 0.868 205 D CB 2.241 43.055 40.800 0.023 0.000 1.062 205 D HN 0.133 nan 8.370 nan 0.000 0.530 206 P HA -0.049 nan 4.420 nan 0.000 0.220 206 P C 1.242 178.565 177.300 0.038 0.000 1.152 206 P CA 0.922 64.052 63.100 0.050 0.000 0.812 206 P CB 0.597 32.325 31.700 0.046 0.000 0.792 207 Q N -0.296 119.522 119.800 0.030 0.000 2.046 207 Q HA -0.065 4.275 4.340 -0.000 0.000 0.200 207 Q C 2.156 178.172 176.000 0.027 0.000 0.975 207 Q CA 1.285 57.103 55.803 0.025 0.000 0.836 207 Q CB -0.259 28.491 28.738 0.020 0.000 0.896 207 Q HN 0.242 nan 8.270 nan 0.000 0.428 208 R N 0.383 120.901 120.500 0.029 0.000 2.299 208 R HA -0.012 4.328 4.340 -0.000 0.000 0.197 208 R C -0.276 176.048 176.300 0.040 0.000 0.971 208 R CA 0.175 56.294 56.100 0.031 0.000 1.030 208 R CB 0.337 30.655 30.300 0.028 0.000 0.932 208 R HN 0.165 nan 8.270 nan 0.000 0.477 209 D N 1.806 122.234 120.400 0.047 0.000 2.705 209 D HA -0.150 4.490 4.640 -0.000 0.000 0.240 209 D C -0.924 175.421 176.300 0.076 0.000 1.137 209 D CA 1.273 55.310 54.000 0.061 0.000 0.677 209 D CB -0.733 40.100 40.800 0.055 0.000 1.049 209 D HN 0.434 nan 8.370 nan 0.000 0.427 210 E N -0.306 119.937 120.200 0.072 0.000 2.266 210 E HA 0.659 5.009 4.350 -0.000 0.000 0.268 210 E C 0.084 176.728 176.600 0.074 0.000 0.879 210 E CA -0.800 55.651 56.400 0.084 0.000 0.762 210 E CB 1.990 31.727 29.700 0.062 0.000 1.199 210 E HN 0.094 nan 8.360 nan 0.000 0.422 211 I N 2.995 123.629 120.570 0.107 0.000 2.439 211 I HA 0.209 4.379 4.170 -0.000 0.000 0.285 211 I C -1.178 175.011 176.117 0.120 0.000 1.021 211 I CA -0.804 60.520 61.300 0.041 0.000 1.091 211 I CB 1.319 39.270 38.000 -0.081 0.000 1.242 211 I HN 0.225 nan 8.210 nan 0.000 0.439 212 L N 8.066 129.320 121.223 0.050 0.000 2.264 212 L HA 0.543 4.883 4.340 -0.000 0.000 0.289 212 L C -0.931 175.965 176.870 0.042 0.000 1.044 212 L CA -0.032 54.846 54.840 0.062 0.000 0.807 212 L CB 0.752 42.834 42.059 0.038 0.000 1.192 212 L HN 0.445 nan 8.230 nan 0.000 0.425 213 L N 5.309 126.570 121.223 0.063 0.000 2.317 213 L HA 0.812 5.152 4.340 -0.000 0.000 0.281 213 L C 0.016 176.958 176.870 0.121 0.000 1.024 213 L CA -0.625 54.245 54.840 0.049 0.000 0.810 213 L CB 1.593 43.618 42.059 -0.058 0.000 1.240 213 L HN 0.774 nan 8.230 nan 0.000 0.427 214 A N 3.285 126.210 122.820 0.176 0.000 2.356 214 A HA 0.579 4.899 4.320 -0.000 0.000 0.323 214 A C -0.379 177.350 177.584 0.242 0.000 1.119 214 A CA -0.754 51.398 52.037 0.191 0.000 0.790 214 A CB 1.266 20.325 19.000 0.099 0.000 1.273 214 A HN 0.814 nan 8.150 nan 0.000 0.452 215 R N 1.212 121.787 120.500 0.125 0.000 2.502 215 R HA -0.031 4.308 4.340 -0.000 0.000 0.292 215 R C -0.384 175.872 176.300 -0.072 0.000 0.998 215 R CA 0.022 56.045 56.100 -0.128 0.000 1.056 215 R CB 0.145 30.353 30.300 -0.154 0.000 0.939 215 R HN 0.711 nan 8.270 nan 0.000 0.411 216 N N 3.418 122.037 118.700 -0.136 0.000 2.399 216 N HA -0.027 4.712 4.740 -0.000 0.000 0.259 216 N C -0.364 175.163 175.510 0.028 0.000 1.160 216 N CA -0.055 52.981 53.050 -0.022 0.000 0.946 216 N CB 0.930 39.407 38.487 -0.016 0.000 1.156 216 N HN 0.516 nan 8.380 nan 0.000 0.489 217 D N 2.734 123.163 120.400 0.049 0.000 2.310 217 D HA -0.057 4.583 4.640 -0.000 0.000 0.212 217 D C 0.708 177.066 176.300 0.096 0.000 0.965 217 D CA 0.901 54.936 54.000 0.058 0.000 0.879 217 D CB 0.225 41.052 40.800 0.046 0.000 0.921 217 D HN 0.595 nan 8.370 nan 0.000 0.510 218 R N -0.402 120.181 120.500 0.138 0.000 2.388 218 R HA 0.115 4.454 4.340 -0.000 0.000 0.247 218 R C 0.261 176.734 176.300 0.287 0.000 0.931 218 R CA -0.500 55.708 56.100 0.179 0.000 1.082 218 R CB 0.071 30.477 30.300 0.176 0.000 1.135 218 R HN 0.004 nan 8.270 nan 0.000 0.525 219 F N 1.013 120.989 119.950 0.044 0.000 2.459 219 F HA -0.012 4.514 4.527 -0.000 0.000 0.346 219 F C 0.802 176.597 175.800 -0.007 0.000 1.128 219 F CA -1.353 56.605 58.000 -0.070 0.000 1.268 219 F CB 0.468 39.289 39.000 -0.297 0.000 1.161 219 F HN 0.109 nan 8.300 nan 0.000 0.583 220 W N 2.876 123.727 121.300 -0.748 0.000 3.220 220 W HA 0.500 5.160 4.660 -0.000 0.000 0.328 220 W C 0.140 176.292 176.519 -0.612 0.000 1.205 220 W CA 0.117 57.147 57.345 -0.525 0.000 1.773 220 W CB -0.561 28.679 29.460 -0.366 0.000 1.086 220 W HN 0.419 nan 8.180 nan 0.000 0.622 221 S N -0.223 114.645 115.700 -1.388 0.000 2.998 221 S HA 0.526 4.996 4.470 -0.000 0.000 0.307 221 S C -0.277 174.118 174.600 -0.341 0.000 1.063 221 S CA -0.603 57.126 58.200 -0.785 0.000 0.895 221 S CB 0.388 63.071 63.200 -0.862 0.000 1.362 221 S HN -0.151 nan 8.310 nan 0.000 0.657 222 V N 3.873 123.714 119.914 -0.122 0.000 2.506 222 V HA 0.162 4.282 4.120 -0.000 0.000 0.296 222 V C -2.173 173.962 176.094 0.067 0.000 1.004 222 V CA -0.524 61.768 62.300 -0.013 0.000 1.150 222 V CB -0.355 31.463 31.823 -0.009 0.000 0.911 222 V HN 0.593 nan 8.190 nan 0.000 0.476 223 P HA 0.287 nan 4.420 nan 0.000 0.271 223 P C -0.275 176.944 177.300 -0.135 0.000 1.218 223 P CA -0.179 62.904 63.100 -0.029 0.000 0.780 223 P CB 0.596 32.276 31.700 -0.033 0.000 0.901 224 A N 3.167 125.802 122.820 -0.309 0.000 2.477 224 A HA 0.071 4.391 4.320 -0.000 0.000 0.246 224 A C 1.402 178.883 177.584 -0.173 0.000 1.078 224 A CA 0.030 51.844 52.037 -0.371 0.000 0.770 224 A CB 0.100 18.548 19.000 -0.921 0.000 1.011 224 A HN 0.431 nan 8.150 nan 0.000 0.494 225 K N 1.407 121.768 120.400 -0.065 0.000 2.025 225 K HA 0.004 4.324 4.320 -0.000 0.000 0.207 225 K C -1.473 175.153 176.600 0.042 0.000 1.049 225 K CA 1.028 57.319 56.287 0.006 0.000 0.933 225 K CB -1.588 30.941 32.500 0.047 0.000 0.714 225 K HN 0.635 nan 8.250 nan 0.000 0.438 226 P HA 0.088 nan 4.420 nan 0.000 0.275 226 P C -0.315 177.067 177.300 0.137 0.000 1.227 226 P CA 0.166 63.355 63.100 0.149 0.000 0.781 226 P CB 0.706 32.547 31.700 0.235 0.000 0.906 227 D N 1.275 121.736 120.400 0.102 0.000 2.123 227 D HA 0.028 4.667 4.640 -0.000 0.000 0.200 227 D C 0.620 177.003 176.300 0.139 0.000 0.976 227 D CA 1.455 55.507 54.000 0.087 0.000 0.831 227 D CB -0.050 40.784 40.800 0.056 0.000 0.974 227 D HN 0.328 nan 8.370 nan 0.000 0.469 228 L N -0.078 121.226 121.223 0.134 0.000 2.388 228 L HA 0.538 4.877 4.340 -0.000 0.000 0.264 228 L C -1.068 175.845 176.870 0.071 0.000 0.998 228 L CA -0.941 53.968 54.840 0.115 0.000 0.817 228 L CB 3.209 45.308 42.059 0.065 0.000 1.338 228 L HN -0.372 nan 8.230 nan 0.000 0.414 229 V N 3.206 123.114 119.914 -0.009 0.000 2.443 229 V HA 0.367 4.487 4.120 -0.000 0.000 0.293 229 V C -0.694 175.346 176.094 -0.090 0.000 1.021 229 V CA -0.422 61.800 62.300 -0.130 0.000 0.848 229 V CB 2.098 33.702 31.823 -0.366 0.000 0.998 229 V HN 0.463 nan 8.190 nan 0.000 0.424 230 L N 6.028 127.184 121.223 -0.110 0.000 2.265 230 L HA 0.670 5.010 4.340 -0.000 0.000 0.289 230 L C -0.946 175.849 176.870 -0.124 0.000 1.033 230 L CA 0.218 55.038 54.840 -0.032 0.000 0.814 230 L CB 0.694 42.748 42.059 -0.009 0.000 1.203 230 L HN 0.428 nan 8.230 nan 0.000 0.423 231 F N 5.362 125.303 119.950 -0.015 0.000 2.411 231 F HA 0.631 5.158 4.527 -0.000 0.000 0.350 231 F C 0.531 176.338 175.800 0.012 0.000 1.114 231 F CA -0.231 57.772 58.000 0.005 0.000 1.135 231 F CB 0.815 39.818 39.000 0.006 0.000 1.120 231 F HN 0.525 nan 8.300 nan 0.000 0.495 232 R N 1.881 122.468 120.500 0.146 0.000 2.774 232 R HA 0.529 4.869 4.340 -0.000 0.000 0.272 232 R C -0.818 175.533 176.300 0.084 0.000 1.000 232 R CA -1.256 54.904 56.100 0.099 0.000 0.906 232 R CB 1.308 31.640 30.300 0.053 0.000 1.227 232 R HN 0.587 nan 8.270 nan 0.000 0.468 233 R N 0.825 121.367 120.500 0.071 0.000 2.494 233 R HA -0.041 4.299 4.340 -0.000 0.000 0.291 233 R C 0.797 177.123 176.300 0.043 0.000 0.953 233 R CA 1.213 57.347 56.100 0.058 0.000 1.098 233 R CB 0.380 30.708 30.300 0.047 0.000 0.911 233 R HN 0.937 nan 8.270 nan 0.000 0.407 234 G N 2.923 111.749 108.800 0.043 0.000 2.448 234 G HA2 0.124 4.083 3.960 -0.000 0.000 0.218 234 G HA3 0.124 4.083 3.960 -0.000 0.000 0.218 234 G C 0.757 175.671 174.900 0.023 0.000 1.135 234 G CA 0.623 45.740 45.100 0.028 0.000 0.784 234 G HN 1.103 nan 8.290 nan 0.000 0.543 235 G N -0.488 108.330 108.800 0.029 0.000 2.593 235 G HA2 0.277 4.237 3.960 -0.000 0.000 0.237 235 G HA3 0.277 4.237 3.960 -0.000 0.000 0.237 235 G C 0.395 175.310 174.900 0.025 0.000 1.312 235 G CA 0.013 45.128 45.100 0.024 0.000 0.896 235 G HN 1.432 nan 8.290 nan 0.000 0.574 236 A N 0.569 123.401 122.820 0.020 0.000 2.483 236 A HA 0.614 4.934 4.320 -0.000 0.000 0.238 236 A C -0.199 177.396 177.584 0.018 0.000 1.070 236 A CA 0.504 52.553 52.037 0.020 0.000 0.770 236 A CB -0.074 18.935 19.000 0.016 0.000 1.008 236 A HN 0.560 nan 8.150 nan 0.000 0.497 237 P HA -0.247 nan 4.420 nan 0.000 0.216 237 P C 1.622 178.926 177.300 0.006 0.000 1.154 237 P CA 2.596 65.706 63.100 0.017 0.000 0.865 237 P CB 0.089 31.803 31.700 0.024 0.000 0.789 238 A N -0.513 122.310 122.820 0.005 0.000 1.933 238 A HA -0.080 4.239 4.320 -0.000 0.000 0.218 238 A C 2.299 179.880 177.584 -0.004 0.000 1.175 238 A CA 2.008 54.044 52.037 -0.001 0.000 0.628 238 A CB -1.481 17.520 19.000 0.001 0.000 0.814 238 A HN 0.214 nan 8.150 nan 0.000 0.444 239 A N -0.407 122.412 122.820 -0.000 0.000 1.873 239 A HA 0.038 4.358 4.320 -0.000 0.000 0.215 239 A C 2.113 179.693 177.584 -0.007 0.000 1.186 239 A CA 1.604 53.640 52.037 -0.002 0.000 0.616 239 A CB -0.642 18.359 19.000 0.003 0.000 0.823 239 A HN 0.712 nan 8.150 nan 0.000 0.442 240 L N 0.035 121.255 121.223 -0.005 0.000 2.012 240 L HA -0.088 4.252 4.340 -0.000 0.000 0.210 240 L C 2.633 179.489 176.870 -0.024 0.000 1.073 240 L CA 2.284 57.117 54.840 -0.012 0.000 0.748 240 L CB -0.940 41.116 42.059 -0.005 0.000 0.891 240 L HN 0.356 nan 8.230 nan 0.000 0.431 241 A N -0.668 122.138 122.820 -0.023 0.000 1.873 241 A HA -0.342 3.978 4.320 -0.000 0.000 0.218 241 A C 2.149 179.713 177.584 -0.033 0.000 1.193 241 A CA 2.277 54.294 52.037 -0.033 0.000 0.629 241 A CB -1.228 17.755 19.000 -0.028 0.000 0.826 241 A HN 0.594 nan 8.150 nan 0.000 0.447 242 D N -1.393 118.992 120.400 -0.025 0.000 2.178 242 D HA -0.087 4.553 4.640 -0.000 0.000 0.202 242 D C 2.170 178.454 176.300 -0.027 0.000 0.974 242 D CA 1.337 55.323 54.000 -0.024 0.000 0.841 242 D CB -0.024 40.766 40.800 -0.017 0.000 0.953 242 D HN 0.343 nan 8.370 nan 0.000 0.478 243 S N -0.967 114.718 115.700 -0.026 0.000 2.368 243 S HA -0.075 4.394 4.470 -0.000 0.000 0.224 243 S C 2.003 176.579 174.600 -0.040 0.000 1.029 243 S CA 0.793 58.975 58.200 -0.029 0.000 0.988 243 S CB -0.272 62.913 63.200 -0.026 0.000 0.838 243 S HN 0.296 nan 8.310 nan 0.000 0.462 244 I N 0.876 121.417 120.570 -0.047 0.000 2.252 244 I HA -0.106 4.063 4.170 -0.000 0.000 0.245 244 I C 2.761 178.843 176.117 -0.057 0.000 1.102 244 I CA 1.060 62.324 61.300 -0.061 0.000 1.385 244 I CB -0.365 37.592 38.000 -0.071 0.000 1.064 244 I HN 0.281 nan 8.210 nan 0.000 0.414 245 R N 1.165 121.635 120.500 -0.049 0.000 2.091 245 R HA -0.185 4.155 4.340 -0.000 0.000 0.238 245 R C 1.864 178.140 176.300 -0.039 0.000 1.136 245 R CA 1.706 57.780 56.100 -0.044 0.000 0.959 245 R CB -0.109 30.169 30.300 -0.038 0.000 0.856 245 R HN 0.347 nan 8.270 nan 0.000 0.437 246 N N -0.792 117.887 118.700 -0.035 0.000 2.457 246 N HA -0.006 4.734 4.740 -0.000 0.000 0.180 246 N C 0.944 176.433 175.510 -0.034 0.000 1.050 246 N CA 1.255 54.286 53.050 -0.031 0.000 0.906 246 N CB 0.628 39.100 38.487 -0.025 0.000 0.968 246 N HN 0.521 nan 8.380 nan 0.000 0.445 247 G N 0.618 109.393 108.800 -0.042 0.000 2.176 247 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.253 247 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.253 247 G C 0.553 175.426 174.900 -0.046 0.000 0.979 247 G CA 0.438 45.509 45.100 -0.047 0.000 0.641 247 G HN 0.270 nan 8.290 nan 0.000 0.530 248 D N 0.312 120.688 120.400 -0.040 0.000 2.183 248 D HA 0.049 4.689 4.640 -0.000 0.000 0.203 248 D C 1.153 177.426 176.300 -0.047 0.000 0.969 248 D CA 1.527 55.505 54.000 -0.036 0.000 0.842 248 D CB 0.035 40.818 40.800 -0.027 0.000 0.957 248 D HN 0.423 nan 8.370 nan 0.000 0.484 249 T N 0.864 115.384 114.554 -0.056 0.000 2.794 249 T HA 0.250 4.600 4.350 -0.000 0.000 0.280 249 T C 0.778 175.419 174.700 -0.098 0.000 0.987 249 T CA -0.468 61.589 62.100 -0.073 0.000 0.993 249 T CB 2.263 71.092 68.868 -0.065 0.000 0.939 249 T HN -0.215 nan 8.240 nan 0.000 0.449 250 Q N 1.469 121.192 119.800 -0.127 0.000 2.304 250 Q HA 0.282 4.622 4.340 -0.000 0.000 0.204 250 Q C 0.303 176.163 176.000 -0.233 0.000 0.936 250 Q CA 0.585 56.284 55.803 -0.172 0.000 0.878 250 Q CB 0.539 29.166 28.738 -0.184 0.000 0.983 250 Q HN 0.508 nan 8.270 nan 0.000 0.516 251 V N -0.488 119.281 119.914 -0.242 0.000 2.962 251 V HA 0.902 5.022 4.120 -0.000 0.000 0.313 251 V C -1.210 174.791 176.094 -0.155 0.000 1.099 251 V CA -0.971 61.170 62.300 -0.266 0.000 0.971 251 V CB 1.956 33.516 31.823 -0.438 0.000 1.028 251 V HN 0.089 nan 8.190 nan 0.000 0.430 252 A N 2.390 125.144 122.820 -0.111 0.000 2.488 252 A HA 0.831 5.150 4.320 -0.000 0.000 0.298 252 A C -1.092 176.480 177.584 -0.019 0.000 1.044 252 A CA -0.528 51.477 52.037 -0.053 0.000 0.693 252 A CB 2.013 20.984 19.000 -0.049 0.000 1.272 252 A HN 0.791 nan 8.150 nan 0.000 0.402 253 Q N 1.453 121.262 119.800 0.015 0.000 2.414 253 Q HA 0.581 4.920 4.340 -0.000 0.000 0.256 253 Q C -1.369 174.633 176.000 0.003 0.000 0.974 253 Q CA -0.512 55.298 55.803 0.011 0.000 0.723 253 Q CB 1.552 30.315 28.738 0.041 0.000 1.281 253 Q HN 1.250 nan 8.270 nan 0.000 0.470 254 V N -0.389 119.510 119.914 -0.025 0.000 3.130 254 V HA 0.611 4.731 4.120 -0.000 0.000 0.310 254 V C -1.051 174.998 176.094 -0.075 0.000 1.158 254 V CA -1.016 61.285 62.300 0.002 0.000 1.029 254 V CB 1.851 33.702 31.823 0.047 0.000 1.057 254 V HN 0.738 nan 8.190 nan 0.000 0.436 255 H N 0.587 119.677 119.070 0.032 0.000 2.525 255 H HA 0.844 5.400 4.556 -0.000 0.000 0.339 255 H C 0.581 175.937 175.328 0.045 0.000 1.109 255 H CA 1.186 57.256 56.048 0.037 0.000 1.352 255 H CB 1.476 31.259 29.762 0.035 0.000 1.461 255 H HN 1.335 nan 8.280 nan 0.000 0.533 256 G N 0.356 109.243 108.800 0.145 0.000 2.489 256 G HA2 0.462 4.421 3.960 -0.000 0.000 0.291 256 G HA3 0.462 4.421 3.960 -0.000 0.000 0.291 256 G C -0.354 174.606 174.900 0.099 0.000 1.487 256 G CA -0.335 44.834 45.100 0.114 0.000 0.795 256 G HN 0.826 nan 8.290 nan 0.000 0.513 257 G N -0.852 108.000 108.800 0.087 0.000 2.543 257 G HA2 0.639 4.599 3.960 -0.000 0.000 0.267 257 G HA3 0.639 4.599 3.960 -0.000 0.000 0.267 257 G C 1.450 176.401 174.900 0.085 0.000 1.406 257 G CA 0.621 45.761 45.100 0.067 0.000 1.048 257 G HN 1.574 nan 8.290 nan 0.000 0.548 258 A N -0.891 121.965 122.820 0.060 0.000 1.930 258 A HA 0.208 4.528 4.320 -0.000 0.000 0.217 258 A C 2.667 180.332 177.584 0.134 0.000 1.175 258 A CA 2.424 54.510 52.037 0.081 0.000 0.627 258 A CB -0.870 18.150 19.000 0.034 0.000 0.815 258 A HN 1.157 nan 8.150 nan 0.000 0.443 259 A N -0.910 121.965 122.820 0.091 0.000 1.877 259 A HA -0.083 4.237 4.320 -0.000 0.000 0.216 259 A C 2.315 179.949 177.584 0.083 0.000 1.186 259 A CA 2.280 54.363 52.037 0.076 0.000 0.620 259 A CB -1.311 17.720 19.000 0.051 0.000 0.822 259 A HN 0.407 nan 8.150 nan 0.000 0.443 260 T N -0.791 113.817 114.554 0.090 0.000 2.720 260 T HA -0.149 4.201 4.350 -0.000 0.000 0.268 260 T C 1.613 176.368 174.700 0.092 0.000 1.037 260 T CA 1.614 63.761 62.100 0.078 0.000 1.144 260 T CB -0.422 68.494 68.868 0.081 0.000 0.864 260 T HN 0.458 nan 8.240 nan 0.000 0.444 261 F N 2.091 122.040 119.950 -0.001 0.000 2.095 261 F HA -0.079 4.448 4.527 -0.000 0.000 0.298 261 F C 2.437 178.231 175.800 -0.009 0.000 1.104 261 F CA 1.186 59.182 58.000 -0.008 0.000 1.232 261 F CB -0.545 38.452 39.000 -0.006 0.000 0.987 261 F HN 0.144 nan 8.300 nan 0.000 0.475 262 A N -0.384 122.511 122.820 0.124 0.000 1.930 262 A HA -0.236 4.083 4.320 -0.000 0.000 0.217 262 A C 2.208 179.758 177.584 -0.056 0.000 1.175 262 A CA 1.644 53.697 52.037 0.027 0.000 0.627 262 A CB -0.958 18.095 19.000 0.089 0.000 0.815 262 A HN 0.616 nan 8.150 nan 0.000 0.443 263 Q N -0.422 119.356 119.800 -0.037 0.000 2.079 263 Q HA -0.096 4.244 4.340 -0.000 0.000 0.200 263 Q C 1.962 177.909 176.000 -0.088 0.000 0.974 263 Q CA 1.435 57.210 55.803 -0.046 0.000 0.840 263 Q CB -0.202 28.524 28.738 -0.020 0.000 0.898 263 Q HN 0.672 nan 8.270 nan 0.000 0.430 264 L N -0.023 121.123 121.223 -0.129 0.000 2.093 264 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 264 L C 2.446 179.188 176.870 -0.213 0.000 1.085 264 L CA 0.968 55.711 54.840 -0.161 0.000 0.755 264 L CB -0.212 41.743 42.059 -0.174 0.000 0.904 264 L HN 0.156 nan 8.230 nan 0.000 0.435 265 S N -0.087 115.426 115.700 -0.312 0.000 2.447 265 S HA -0.077 4.392 4.470 -0.000 0.000 0.233 265 S C 1.991 176.492 174.600 -0.166 0.000 1.006 265 S CA 0.986 59.004 58.200 -0.303 0.000 0.957 265 S CB -0.126 62.817 63.200 -0.428 0.000 0.773 265 S HN 0.478 nan 8.310 nan 0.000 0.507 266 A N 0.842 123.587 122.820 -0.125 0.000 2.169 266 A HA 0.269 4.589 4.320 -0.000 0.000 0.212 266 A C 0.768 178.310 177.584 -0.070 0.000 1.153 266 A CA 0.020 52.010 52.037 -0.078 0.000 0.756 266 A CB -0.395 18.572 19.000 -0.055 0.000 0.813 266 A HN 0.451 nan 8.150 nan 0.000 0.471 267 I N 1.657 122.178 120.570 -0.082 0.000 2.587 267 I HA 0.109 4.278 4.170 -0.000 0.000 0.284 267 I C -2.266 173.810 176.117 -0.068 0.000 1.134 267 I CA -1.765 59.493 61.300 -0.070 0.000 1.410 267 I CB 0.552 38.507 38.000 -0.075 0.000 1.392 267 I HN 0.021 nan 8.210 nan 0.000 0.545 268 P HA -0.045 nan 4.420 nan 0.000 0.261 268 P C -0.344 176.923 177.300 -0.056 0.000 1.183 268 P CA 0.447 63.517 63.100 -0.050 0.000 0.761 268 P CB 0.229 31.905 31.700 -0.040 0.000 0.785 269 D N -0.338 120.029 120.400 -0.056 0.000 3.041 269 D HA -0.127 4.513 4.640 -0.000 0.000 0.220 269 D C -0.407 175.849 176.300 -0.072 0.000 1.157 269 D CA 0.681 54.646 54.000 -0.058 0.000 0.876 269 D CB -1.570 39.199 40.800 -0.051 0.000 1.107 269 D HN 0.138 nan 8.370 nan 0.000 0.422 270 V N 0.804 120.668 119.914 -0.084 0.000 2.439 270 V HA 0.308 4.428 4.120 -0.000 0.000 0.282 270 V C 0.924 176.952 176.094 -0.110 0.000 1.039 270 V CA -0.447 61.792 62.300 -0.102 0.000 0.913 270 V CB 1.850 33.606 31.823 -0.111 0.000 0.983 270 V HN -0.035 nan 8.190 nan 0.000 0.460 271 R N 2.815 123.250 120.500 -0.108 0.000 2.312 271 R HA 0.670 5.009 4.340 -0.000 0.000 0.311 271 R C -0.078 176.155 176.300 -0.112 0.000 1.004 271 R CA -0.334 55.708 56.100 -0.097 0.000 0.902 271 R CB 1.670 31.923 30.300 -0.078 0.000 1.073 271 R HN 0.896 nan 8.270 nan 0.000 0.457 272 T N -1.143 113.342 114.554 -0.114 0.000 2.896 272 T HA 0.866 5.216 4.350 -0.000 0.000 0.297 272 T C -0.823 173.909 174.700 0.053 0.000 1.108 272 T CA -0.907 61.121 62.100 -0.120 0.000 1.004 272 T CB 2.269 70.895 68.868 -0.404 0.000 1.159 272 T HN 0.664 nan 8.240 nan 0.000 0.499 273 A N 1.186 124.125 122.820 0.198 0.000 2.601 273 A HA 0.823 5.143 4.320 -0.000 0.000 0.291 273 A C -1.100 176.663 177.584 0.298 0.000 1.075 273 A CA -1.127 51.090 52.037 0.299 0.000 0.671 273 A CB 1.570 20.643 19.000 0.121 0.000 1.277 273 A HN 1.058 nan 8.150 nan 0.000 0.417 274 R N 0.992 121.565 120.500 0.121 0.000 2.295 274 R HA 0.678 5.018 4.340 -0.000 0.000 0.324 274 R C -0.760 175.528 176.300 -0.020 0.000 0.968 274 R CA -0.412 55.686 56.100 -0.003 0.000 0.837 274 R CB 0.443 30.639 30.300 -0.174 0.000 1.133 274 R HN 0.829 nan 8.270 nan 0.000 0.450 275 I N 0.908 121.467 120.570 -0.018 0.000 2.797 275 I HA 0.492 4.662 4.170 -0.000 0.000 0.307 275 I C -0.488 175.604 176.117 -0.041 0.000 1.033 275 I CA -1.278 60.007 61.300 -0.025 0.000 1.071 275 I CB 1.853 39.846 38.000 -0.012 0.000 1.255 275 I HN 0.233 nan 8.210 nan 0.000 0.445 276 V N 2.846 122.739 119.914 -0.035 0.000 2.881 276 V HA 0.271 4.391 4.120 -0.000 0.000 0.303 276 V C 0.380 176.452 176.094 -0.036 0.000 1.070 276 V CA 0.331 62.611 62.300 -0.034 0.000 1.074 276 V CB 1.649 33.453 31.823 -0.032 0.000 1.012 276 V HN 0.938 nan 8.190 nan 0.000 0.482 277 T N 6.459 120.990 114.554 -0.037 0.000 2.888 277 T HA 0.422 4.772 4.350 -0.000 0.000 0.284 277 T C -2.411 172.270 174.700 -0.032 0.000 1.017 277 T CA -1.054 61.015 62.100 -0.052 0.000 1.022 277 T CB 1.759 70.571 68.868 -0.093 0.000 1.013 277 T HN 0.612 nan 8.240 nan 0.000 0.465 278 P HA 0.116 nan 4.420 nan 0.000 0.249 278 P C -0.554 176.750 177.300 0.007 0.000 1.686 278 P CA -0.025 63.077 63.100 0.004 0.000 0.873 278 P CB -0.558 31.151 31.700 0.016 0.000 1.828 279 R N -1.581 118.929 120.500 0.017 0.000 2.643 279 R HA 0.679 5.018 4.340 -0.000 0.000 0.269 279 R C -1.972 174.495 176.300 0.279 0.000 1.037 279 R CA -1.067 55.093 56.100 0.101 0.000 0.894 279 R CB 1.124 31.386 30.300 -0.062 0.000 1.238 279 R HN -0.221 nan 8.270 nan 0.000 0.459 280 V N 3.395 123.536 119.914 0.378 0.000 2.588 280 V HA 0.409 4.529 4.120 -0.000 0.000 0.304 280 V C -0.105 176.159 176.094 0.284 0.000 1.042 280 V CA -0.881 61.616 62.300 0.329 0.000 0.877 280 V CB 1.913 33.833 31.823 0.161 0.000 0.996 280 V HN 0.810 nan 8.190 nan 0.000 0.425 281 M N 4.318 123.904 119.600 -0.023 0.000 2.216 281 M HA 0.465 4.945 4.480 -0.000 0.000 0.356 281 M C -0.661 175.515 176.300 -0.206 0.000 1.205 281 M CA 0.069 55.092 55.300 -0.462 0.000 1.122 281 M CB 0.846 32.866 32.600 -0.966 0.000 1.571 281 M HN 0.734 nan 8.290 nan 0.000 0.464 282 Q N 3.563 123.253 119.800 -0.183 0.000 2.421 282 Q HA 0.529 4.869 4.340 -0.000 0.000 0.280 282 Q C -1.580 174.357 176.000 -0.104 0.000 1.085 282 Q CA -0.940 54.805 55.803 -0.096 0.000 0.807 282 Q CB 3.092 31.802 28.738 -0.047 0.000 1.405 282 Q HN 0.638 nan 8.270 nan 0.000 0.419 283 L N 1.680 122.863 121.223 -0.067 0.000 2.313 283 L HA 0.596 4.935 4.340 -0.000 0.000 0.283 283 L C -1.282 175.567 176.870 -0.034 0.000 1.013 283 L CA 0.028 54.835 54.840 -0.056 0.000 0.816 283 L CB 1.520 43.552 42.059 -0.045 0.000 1.236 283 L HN 0.656 nan 8.230 nan 0.000 0.419 284 T N 6.210 120.742 114.554 -0.036 0.000 2.807 284 T HA 0.529 4.879 4.350 -0.000 0.000 0.279 284 T C 0.076 174.762 174.700 -0.023 0.000 0.993 284 T CA -0.437 61.647 62.100 -0.027 0.000 0.970 284 T CB 1.682 70.531 68.868 -0.032 0.000 0.950 284 T HN 0.462 nan 8.240 nan 0.000 0.441 285 L N 2.981 124.197 121.223 -0.011 0.000 2.357 285 L HA 0.508 4.848 4.340 -0.000 0.000 0.273 285 L C 0.812 177.677 176.870 -0.008 0.000 1.080 285 L CA -0.997 53.838 54.840 -0.009 0.000 0.803 285 L CB 0.682 42.742 42.059 0.002 0.000 1.174 285 L HN 0.354 nan 8.230 nan 0.000 0.443 286 R N 2.609 123.103 120.500 -0.011 0.000 2.408 286 R HA 0.239 4.579 4.340 -0.000 0.000 0.308 286 R C 0.597 176.898 176.300 0.001 0.000 1.210 286 R CA -0.189 55.906 56.100 -0.008 0.000 1.115 286 R CB 0.903 31.194 30.300 -0.015 0.000 1.127 286 R HN 0.783 nan 8.270 nan 0.000 0.523 287 A N 2.943 125.767 122.820 0.007 0.000 2.168 287 A HA -0.151 4.169 4.320 -0.000 0.000 0.215 287 A C 1.923 179.516 177.584 0.014 0.000 1.152 287 A CA 0.708 52.753 52.037 0.014 0.000 0.716 287 A CB -0.005 19.007 19.000 0.021 0.000 0.794 287 A HN 0.631 nan 8.150 nan 0.000 0.465 288 Q N -0.224 119.582 119.800 0.009 0.000 2.435 288 Q HA -0.020 4.319 4.340 -0.000 0.000 0.207 288 Q C -0.144 175.861 176.000 0.007 0.000 0.956 288 Q CA 0.357 56.165 55.803 0.008 0.000 0.917 288 Q CB -0.306 28.435 28.738 0.004 0.000 0.997 288 Q HN 0.535 nan 8.270 nan 0.000 0.497 289 Q N 2.099 121.903 119.800 0.007 0.000 2.286 289 Q HA 0.115 4.454 4.340 -0.000 0.000 0.267 289 Q C -1.734 174.276 176.000 0.017 0.000 1.028 289 Q CA -1.456 54.352 55.803 0.009 0.000 0.901 289 Q CB 1.234 29.975 28.738 0.006 0.000 1.183 289 Q HN 0.058 nan 8.270 nan 0.000 0.392 290 P HA -0.252 nan 4.420 nan 0.000 0.216 290 P C 1.061 178.382 177.300 0.036 0.000 1.154 290 P CA 1.786 64.899 63.100 0.022 0.000 0.865 290 P CB 0.173 31.883 31.700 0.017 0.000 0.789 291 K N -0.256 120.170 120.400 0.043 0.000 2.280 291 K HA -0.069 4.251 4.320 -0.000 0.000 0.202 291 K C 1.335 177.977 176.600 0.070 0.000 1.047 291 K CA 1.290 57.621 56.287 0.073 0.000 0.942 291 K CB -0.640 31.905 32.500 0.075 0.000 0.739 291 K HN 0.187 nan 8.250 nan 0.000 0.457 292 L N 0.367 121.616 121.223 0.043 0.000 2.808 292 L HA 0.305 4.645 4.340 -0.000 0.000 0.246 292 L C 1.983 178.873 176.870 0.034 0.000 1.153 292 L CA -0.065 54.796 54.840 0.034 0.000 0.956 292 L CB 0.468 42.538 42.059 0.018 0.000 1.270 292 L HN 0.222 nan 8.230 nan 0.000 0.528 293 A N -0.587 122.254 122.820 0.036 0.000 1.969 293 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 293 A C 1.047 178.653 177.584 0.035 0.000 1.169 293 A CA 0.927 52.982 52.037 0.031 0.000 0.635 293 A CB -0.236 18.780 19.000 0.027 0.000 0.810 293 A HN 0.324 nan 8.150 nan 0.000 0.445 294 D N -0.442 119.985 120.400 0.045 0.000 2.358 294 D HA 0.217 4.856 4.640 -0.000 0.000 0.258 294 D C -1.743 174.583 176.300 0.044 0.000 1.223 294 D CA -2.060 51.968 54.000 0.048 0.000 0.886 294 D CB 1.158 41.997 40.800 0.065 0.000 1.120 294 D HN 0.014 nan 8.370 nan 0.000 0.482 295 P HA -0.148 nan 4.420 nan 0.000 0.218 295 P C 1.178 178.501 177.300 0.038 0.000 1.148 295 P CA 0.979 64.102 63.100 0.039 0.000 0.822 295 P CB 0.356 32.078 31.700 0.037 0.000 0.784 296 Q N -0.738 119.086 119.800 0.039 0.000 2.119 296 Q HA -0.059 4.281 4.340 -0.000 0.000 0.201 296 Q C 2.188 178.207 176.000 0.032 0.000 0.972 296 Q CA 1.090 56.915 55.803 0.037 0.000 0.847 296 Q CB -1.242 27.520 28.738 0.041 0.000 0.903 296 Q HN 0.192 nan 8.270 nan 0.000 0.433 297 V N 0.977 120.915 119.914 0.040 0.000 2.307 297 V HA -0.237 3.883 4.120 -0.000 0.000 0.245 297 V C 2.434 178.525 176.094 -0.006 0.000 1.045 297 V CA 1.689 63.998 62.300 0.014 0.000 1.024 297 V CB -0.507 31.345 31.823 0.049 0.000 0.651 297 V HN 0.281 nan 8.190 nan 0.000 0.449 298 R N 0.092 120.601 120.500 0.014 0.000 2.083 298 R HA -0.203 4.137 4.340 -0.000 0.000 0.237 298 R C 2.460 178.773 176.300 0.021 0.000 1.137 298 R CA 1.838 57.948 56.100 0.017 0.000 0.951 298 R CB -0.318 30.000 30.300 0.030 0.000 0.851 298 R HN 0.487 nan 8.270 nan 0.000 0.434 299 K N -0.071 120.346 120.400 0.028 0.000 2.057 299 K HA -0.117 4.203 4.320 -0.000 0.000 0.207 299 K C 2.115 178.722 176.600 0.013 0.000 1.049 299 K CA 1.428 57.734 56.287 0.031 0.000 0.931 299 K CB -0.158 32.361 32.500 0.032 0.000 0.714 299 K HN 0.168 nan 8.250 nan 0.000 0.440 300 A N 1.547 124.365 122.820 -0.003 0.000 1.877 300 A HA -0.177 4.142 4.320 -0.000 0.000 0.216 300 A C 2.063 179.626 177.584 -0.033 0.000 1.186 300 A CA 1.369 53.392 52.037 -0.024 0.000 0.620 300 A CB -0.520 18.453 19.000 -0.045 0.000 0.822 300 A HN 0.106 nan 8.150 nan 0.000 0.443 301 I N 0.016 120.563 120.570 -0.038 0.000 2.179 301 I HA -0.229 3.941 4.170 -0.000 0.000 0.242 301 I C 2.508 178.615 176.117 -0.015 0.000 1.088 301 I CA 1.306 62.583 61.300 -0.039 0.000 1.357 301 I CB -1.460 36.516 38.000 -0.040 0.000 1.051 301 I HN 0.296 nan 8.210 nan 0.000 0.409 302 L N 0.414 121.640 121.223 0.006 0.000 2.093 302 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 302 L C 2.536 179.418 176.870 0.021 0.000 1.085 302 L CA 1.394 56.250 54.840 0.026 0.000 0.755 302 L CB -1.036 41.059 42.059 0.060 0.000 0.904 302 L HN 0.303 nan 8.230 nan 0.000 0.435 303 G N -0.419 108.388 108.800 0.010 0.000 2.534 303 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.217 303 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.217 303 G C 1.532 176.427 174.900 -0.008 0.000 1.128 303 G CA 0.113 45.213 45.100 0.001 0.000 0.784 303 G HN 0.255 nan 8.290 nan 0.000 0.542 304 L N -0.006 121.209 121.223 -0.014 0.000 2.509 304 L HA 0.380 4.720 4.340 -0.000 0.000 0.222 304 L C 0.481 177.342 176.870 -0.015 0.000 1.123 304 L CA -0.035 54.793 54.840 -0.020 0.000 0.856 304 L CB 0.201 42.241 42.059 -0.032 0.000 0.985 304 L HN 0.090 nan 8.230 nan 0.000 0.456 305 I N 0.054 120.619 120.570 -0.008 0.000 2.336 305 I HA 0.095 4.265 4.170 -0.000 0.000 0.292 305 I C -0.206 175.912 176.117 0.001 0.000 0.991 305 I CA -0.414 60.883 61.300 -0.005 0.000 1.227 305 I CB 1.319 39.317 38.000 -0.003 0.000 1.366 305 I HN -0.129 nan 8.210 nan 0.000 0.466 306 D N 6.306 126.705 120.400 -0.002 0.000 2.352 306 D HA 0.031 4.671 4.640 -0.000 0.000 0.245 306 D C 0.791 177.094 176.300 0.005 0.000 1.224 306 D CA 0.139 54.139 54.000 0.001 0.000 0.879 306 D CB 1.631 42.430 40.800 -0.003 0.000 1.057 306 D HN 0.323 nan 8.370 nan 0.000 0.491 307 V N 3.997 123.920 119.914 0.016 0.000 2.626 307 V HA -0.217 3.903 4.120 -0.000 0.000 0.252 307 V C 1.254 177.360 176.094 0.020 0.000 1.067 307 V CA 1.883 64.198 62.300 0.024 0.000 1.081 307 V CB -0.094 31.760 31.823 0.052 0.000 0.686 307 V HN 0.464 nan 8.190 nan 0.000 0.468 308 D N -0.329 120.081 120.400 0.016 0.000 2.117 308 D HA -0.170 4.470 4.640 -0.000 0.000 0.198 308 D C 1.881 178.187 176.300 0.010 0.000 0.982 308 D CA 1.487 55.496 54.000 0.015 0.000 0.828 308 D CB -0.175 40.632 40.800 0.011 0.000 0.967 308 D HN 0.437 nan 8.370 nan 0.000 0.464 309 L N 0.476 121.702 121.223 0.005 0.000 2.046 309 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 309 L C 1.767 178.635 176.870 -0.003 0.000 1.077 309 L CA 1.536 56.376 54.840 0.001 0.000 0.747 309 L CB -0.445 41.612 42.059 -0.003 0.000 0.896 309 L HN 0.121 nan 8.230 nan 0.000 0.432 310 L N -0.622 120.597 121.223 -0.007 0.000 2.046 310 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 310 L C 2.680 179.538 176.870 -0.019 0.000 1.077 310 L CA 1.203 56.031 54.840 -0.019 0.000 0.747 310 L CB -1.063 40.980 42.059 -0.026 0.000 0.896 310 L HN 0.413 nan 8.230 nan 0.000 0.432 311 A N 0.410 123.228 122.820 -0.004 0.000 1.898 311 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 311 A C 2.549 180.143 177.584 0.016 0.000 1.181 311 A CA 1.961 54.002 52.037 0.007 0.000 0.620 311 A CB -0.677 18.337 19.000 0.023 0.000 0.819 311 A HN 0.524 nan 8.150 nan 0.000 0.442 312 S N -0.353 115.356 115.700 0.015 0.000 2.382 312 S HA -0.117 4.352 4.470 -0.000 0.000 0.228 312 S C 1.738 176.347 174.600 0.016 0.000 1.027 312 S CA 1.446 59.657 58.200 0.018 0.000 0.991 312 S CB -0.901 62.307 63.200 0.015 0.000 0.823 312 S HN 0.238 nan 8.310 nan 0.000 0.469 313 V N 2.308 122.225 119.914 0.005 0.000 2.358 313 V HA -0.010 4.110 4.120 -0.000 0.000 0.246 313 V C 2.910 179.005 176.094 0.002 0.000 1.047 313 V CA 1.770 64.070 62.300 0.000 0.000 1.035 313 V CB -1.604 30.213 31.823 -0.011 0.000 0.658 313 V HN 0.661 nan 8.190 nan 0.000 0.452 314 G N -0.637 108.161 108.800 -0.003 0.000 2.422 314 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.218 314 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.218 314 G C 1.653 176.589 174.900 0.060 0.000 1.140 314 G CA 1.029 46.131 45.100 0.004 0.000 0.775 314 G HN 0.601 nan 8.290 nan 0.000 0.545 315 A N -0.427 122.431 122.820 0.063 0.000 1.943 315 A HA 0.538 4.858 4.320 -0.000 0.000 0.213 315 A C 1.588 179.212 177.584 0.067 0.000 1.181 315 A CA 1.528 53.620 52.037 0.090 0.000 0.653 315 A CB -0.554 18.498 19.000 0.087 0.000 0.833 315 A HN 1.824 nan 8.150 nan 0.000 0.451 316 G N -0.833 107.994 108.800 0.044 0.000 2.756 316 G HA2 -0.144 3.815 3.960 -0.000 0.000 0.678 316 G HA3 -0.144 3.815 3.960 -0.000 0.000 0.678 316 G C -0.128 174.796 174.900 0.039 0.000 1.349 316 G CA 0.056 45.177 45.100 0.035 0.000 0.847 316 G HN 0.117 nan 8.290 nan 0.000 0.548 317 D N 0.638 121.058 120.400 0.033 0.000 2.078 317 D HA -0.070 4.570 4.640 -0.000 0.000 0.193 317 D C 1.672 177.999 176.300 0.045 0.000 0.990 317 D CA 1.670 55.690 54.000 0.034 0.000 0.827 317 D CB -0.318 40.499 40.800 0.028 0.000 0.975 317 D HN 0.745 nan 8.370 nan 0.000 0.451 318 D N 1.049 121.480 120.400 0.051 0.000 2.736 318 D HA 0.013 4.653 4.640 -0.000 0.000 0.228 318 D C -0.223 176.135 176.300 0.096 0.000 1.077 318 D CA 0.174 54.215 54.000 0.069 0.000 1.096 318 D CB -0.696 40.145 40.800 0.068 0.000 1.138 318 D HN -0.033 nan 8.370 nan 0.000 0.461 319 N N -0.565 118.186 118.700 0.085 0.000 4.409 319 N HA 0.101 4.841 4.740 -0.000 0.000 0.208 319 N C -1.839 173.708 175.510 0.063 0.000 1.233 319 N CA -0.409 52.700 53.050 0.100 0.000 0.881 319 N CB 1.208 39.787 38.487 0.154 0.000 1.507 319 N HN -0.066 nan 8.380 nan 0.000 0.511 320 T N 0.551 115.132 114.554 0.045 0.000 2.771 320 T HA 0.406 4.756 4.350 -0.000 0.000 0.281 320 T C -0.650 174.068 174.700 0.029 0.000 0.982 320 T CA -0.329 61.781 62.100 0.016 0.000 0.978 320 T CB 1.243 70.093 68.868 -0.029 0.000 0.930 320 T HN 0.264 nan 8.240 nan 0.000 0.447 321 V N 5.019 124.950 119.914 0.028 0.000 2.385 321 V HA 0.339 4.459 4.120 -0.000 0.000 0.269 321 V C 0.062 176.173 176.094 0.028 0.000 1.043 321 V CA -0.041 62.283 62.300 0.039 0.000 0.906 321 V CB 0.848 32.695 31.823 0.040 0.000 0.995 321 V HN 0.986 nan 8.190 nan 0.000 0.467 322 T N 8.931 123.504 114.554 0.032 0.000 2.811 322 T HA 0.425 4.775 4.350 -0.000 0.000 0.309 322 T C 0.022 174.740 174.700 0.030 0.000 1.005 322 T CA -0.167 61.942 62.100 0.016 0.000 0.955 322 T CB 0.099 68.960 68.868 -0.010 0.000 0.970 322 T HN 0.518 nan 8.240 nan 0.000 0.496 323 L N 2.521 123.772 121.223 0.046 0.000 2.456 323 L HA 0.395 4.735 4.340 -0.000 0.000 0.272 323 L C 0.840 177.768 176.870 0.097 0.000 1.189 323 L CA -0.544 54.340 54.840 0.074 0.000 0.846 323 L CB 0.244 42.354 42.059 0.086 0.000 1.111 323 L HN 0.566 nan 8.230 nan 0.000 0.475 324 A N 3.700 126.593 122.820 0.120 0.000 2.280 324 A HA 0.428 4.748 4.320 -0.000 0.000 0.320 324 A C 0.180 177.936 177.584 0.285 0.000 1.366 324 A CA -0.396 51.743 52.037 0.171 0.000 0.938 324 A CB 0.369 19.444 19.000 0.124 0.000 1.157 324 A HN 0.870 nan 8.150 nan 0.000 0.536 325 Q N 1.108 121.160 119.800 0.421 0.000 2.135 325 Q HA 0.441 4.780 4.340 -0.000 0.000 0.231 325 Q C 0.050 176.325 176.000 0.457 0.000 0.817 325 Q CA 0.106 56.142 55.803 0.388 0.000 1.073 325 Q CB 1.161 30.041 28.738 0.235 0.000 1.176 325 Q HN 0.827 nan 8.270 nan 0.000 0.478 326 A N -0.176 122.945 122.820 0.502 0.000 2.479 326 A HA 0.465 4.785 4.320 -0.000 0.000 0.296 326 A C 0.171 177.887 177.584 0.221 0.000 1.121 326 A CA -0.506 51.781 52.037 0.417 0.000 0.743 326 A CB 1.499 20.648 19.000 0.248 0.000 1.323 326 A HN -0.018 nan 8.150 nan 0.000 0.415 327 Q N -0.330 119.463 119.800 -0.011 0.000 2.013 327 Q HA -0.007 4.332 4.340 -0.000 0.000 0.195 327 Q C 2.133 178.141 176.000 0.013 0.000 0.974 327 Q CA 1.765 57.444 55.803 -0.207 0.000 0.826 327 Q CB -0.455 27.940 28.738 -0.571 0.000 0.895 327 Q HN 0.586 nan 8.270 nan 0.000 0.448 328 V N 1.199 121.124 119.914 0.019 0.000 2.273 328 V HA -0.104 4.016 4.120 -0.000 0.000 0.242 328 V C 1.199 177.371 176.094 0.130 0.000 1.035 328 V CA 1.052 63.408 62.300 0.093 0.000 1.013 328 V CB -0.344 31.511 31.823 0.052 0.000 0.652 328 V HN 0.225 nan 8.190 nan 0.000 0.452 329 R N 0.775 121.369 120.500 0.156 0.000 2.543 329 R HA 0.311 4.651 4.340 -0.000 0.000 0.277 329 R C -0.033 176.426 176.300 0.266 0.000 1.074 329 R CA -0.063 56.167 56.100 0.215 0.000 1.076 329 R CB 0.657 31.117 30.300 0.268 0.000 0.993 329 R HN 0.359 nan 8.270 nan 0.000 0.459 330 S N 3.602 119.397 115.700 0.158 0.000 2.616 330 S HA 0.146 4.616 4.470 -0.000 0.000 0.277 330 S C -1.649 172.808 174.600 -0.238 0.000 1.234 330 S CA -1.362 56.852 58.200 0.022 0.000 1.028 330 S CB 1.522 64.734 63.200 0.020 0.000 0.988 330 S HN 0.440 nan 8.310 nan 0.000 0.522 331 P HA -0.164 nan 4.420 nan 0.000 0.218 331 P C 1.354 178.390 177.300 -0.439 0.000 1.146 331 P CA 1.283 63.681 63.100 -1.170 0.000 0.820 331 P CB -0.077 31.207 31.700 -0.694 0.000 0.778 332 S N -2.793 112.787 115.700 -0.199 0.000 2.489 332 S HA -0.025 4.445 4.470 -0.000 0.000 0.228 332 S C 0.752 175.349 174.600 -0.006 0.000 0.995 332 S CA 0.152 58.308 58.200 -0.073 0.000 0.934 332 S CB -0.808 62.368 63.200 -0.040 0.000 0.771 332 S HN 0.051 nan 8.310 nan 0.000 0.522 333 D N 3.696 124.114 120.400 0.029 0.000 2.425 333 D HA 0.184 4.824 4.640 -0.000 0.000 0.247 333 D C -1.652 174.713 176.300 0.109 0.000 1.147 333 D CA -1.636 52.415 54.000 0.085 0.000 0.879 333 D CB 1.012 41.887 40.800 0.125 0.000 1.179 333 D HN 0.097 nan 8.370 nan 0.000 0.456 334 P HA -0.102 nan 4.420 nan 0.000 0.216 334 P C 1.196 178.551 177.300 0.092 0.000 1.150 334 P CA 1.096 64.240 63.100 0.073 0.000 0.843 334 P CB 0.285 32.014 31.700 0.048 0.000 0.787 335 G N -2.619 106.240 108.800 0.098 0.000 3.233 335 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.227 335 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.227 335 G C -0.162 174.801 174.900 0.106 0.000 1.175 335 G CA -0.276 44.874 45.100 0.083 0.000 0.781 335 G HN 0.212 nan 8.290 nan 0.000 0.542 336 Y N 1.481 121.802 120.300 0.034 0.000 2.721 336 Y HA 0.320 4.870 4.550 -0.000 0.000 0.329 336 Y C -0.454 175.470 175.900 0.039 0.000 1.211 336 Y CA 0.058 58.183 58.100 0.042 0.000 1.512 336 Y CB 0.568 39.056 38.460 0.046 0.000 1.249 336 Y HN -0.076 nan 8.280 nan 0.000 0.549 337 V N 8.428 127.968 119.914 -0.624 0.000 2.760 337 V HA 0.341 4.461 4.120 -0.000 0.000 0.309 337 V C -2.301 173.361 176.094 -0.720 0.000 1.077 337 V CA -2.185 59.783 62.300 -0.553 0.000 0.910 337 V CB 1.936 33.628 31.823 -0.220 0.000 1.008 337 V HN 0.689 nan 8.190 nan 0.000 0.424 338 P HA 0.161 nan 4.420 nan 0.000 0.265 338 P C 0.589 177.798 177.300 -0.152 0.000 1.193 338 P CA 0.294 63.230 63.100 -0.273 0.000 0.765 338 P CB 0.508 32.138 31.700 -0.117 0.000 0.823 339 T N -1.632 112.899 114.554 -0.038 0.000 3.058 339 T HA 0.379 4.729 4.350 -0.000 0.000 0.278 339 T C 0.699 175.225 174.700 -0.290 0.000 0.974 339 T CA -0.149 61.940 62.100 -0.019 0.000 0.893 339 T CB -0.136 68.847 68.868 0.191 0.000 1.138 339 T HN 0.403 nan 8.240 nan 0.000 0.529 340 A N 3.548 126.088 122.820 -0.468 0.000 2.567 340 A HA 0.503 4.822 4.320 -0.000 0.000 0.240 340 A C -1.900 175.222 177.584 -0.770 0.000 1.053 340 A CA -0.710 50.629 52.037 -1.164 0.000 0.755 340 A CB -0.500 18.056 19.000 -0.739 0.000 0.978 340 A HN 0.394 nan 8.150 nan 0.000 0.507 341 P HA 0.355 nan 4.420 nan 0.000 0.273 341 P C -2.404 174.715 177.300 -0.302 0.000 1.250 341 P CA -1.004 61.843 63.100 -0.421 0.000 0.793 341 P CB -0.510 30.993 31.700 -0.329 0.000 1.011 342 P HA 0.173 nan 4.420 nan 0.000 0.266 342 P C -0.650 176.580 177.300 -0.118 0.000 1.195 342 P CA -0.044 62.977 63.100 -0.133 0.000 0.768 342 P CB 0.070 31.715 31.700 -0.093 0.000 0.838 343 A N 3.800 126.562 122.820 -0.096 0.000 2.511 343 A HA 0.184 4.504 4.320 -0.000 0.000 0.242 343 A C 0.394 177.948 177.584 -0.050 0.000 1.069 343 A CA -0.132 51.864 52.037 -0.069 0.000 0.763 343 A CB -0.398 18.571 19.000 -0.052 0.000 1.001 343 A HN 0.673 nan 8.150 nan 0.000 0.498 344 M N 2.571 122.148 119.600 -0.038 0.000 2.250 344 M HA 0.255 4.734 4.480 -0.000 0.000 0.344 344 M C 0.848 177.136 176.300 -0.021 0.000 1.150 344 M CA -0.039 55.245 55.300 -0.026 0.000 1.147 344 M CB 1.013 33.603 32.600 -0.018 0.000 1.498 344 M HN 0.907 nan 8.290 nan 0.000 0.461 345 T N 1.344 115.887 114.554 -0.018 0.000 2.729 345 T HA 0.187 4.536 4.350 -0.000 0.000 0.298 345 T C 1.000 175.693 174.700 -0.013 0.000 1.013 345 T CA -0.024 62.067 62.100 -0.015 0.000 0.957 345 T CB 0.793 69.653 68.868 -0.013 0.000 1.130 345 T HN 0.880 nan 8.240 nan 0.000 0.526 346 R N -0.489 120.004 120.500 -0.012 0.000 2.080 346 R HA 0.018 4.357 4.340 -0.000 0.000 0.222 346 R C 1.706 178.000 176.300 -0.011 0.000 1.107 346 R CA 1.272 57.364 56.100 -0.012 0.000 0.980 346 R CB -0.299 29.994 30.300 -0.012 0.000 0.879 346 R HN 0.606 nan 8.270 nan 0.000 0.439 347 D N 0.724 121.119 120.400 -0.009 0.000 2.144 347 D HA -0.142 4.498 4.640 -0.000 0.000 0.199 347 D C 1.199 177.496 176.300 -0.005 0.000 0.984 347 D CA 1.166 55.163 54.000 -0.006 0.000 0.834 347 D CB -0.160 40.638 40.800 -0.005 0.000 0.955 347 D HN 0.213 nan 8.370 nan 0.000 0.465 348 D N -0.127 120.269 120.400 -0.006 0.000 2.149 348 D HA -0.024 4.616 4.640 -0.000 0.000 0.201 348 D C 1.999 178.296 176.300 -0.005 0.000 0.972 348 D CA 0.992 54.989 54.000 -0.005 0.000 0.835 348 D CB -0.198 40.597 40.800 -0.007 0.000 0.966 348 D HN 0.136 nan 8.370 nan 0.000 0.476 349 A N 0.753 123.567 122.820 -0.010 0.000 1.877 349 A HA -0.110 4.210 4.320 -0.000 0.000 0.216 349 A C 2.363 179.936 177.584 -0.018 0.000 1.186 349 A CA 0.887 52.915 52.037 -0.014 0.000 0.620 349 A CB -0.773 18.215 19.000 -0.019 0.000 0.822 349 A HN 0.204 nan 8.150 nan 0.000 0.443 350 L N -0.812 120.401 121.223 -0.016 0.000 2.141 350 L HA -0.181 4.159 4.340 -0.000 0.000 0.209 350 L C 2.587 179.459 176.870 0.004 0.000 1.094 350 L CA 1.656 56.488 54.840 -0.012 0.000 0.763 350 L CB -0.495 41.559 42.059 -0.009 0.000 0.908 350 L HN 0.546 nan 8.230 nan 0.000 0.437 351 E N 1.011 121.214 120.200 0.006 0.000 2.077 351 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 351 E C 2.189 178.802 176.600 0.022 0.000 0.989 351 E CA 1.283 57.691 56.400 0.014 0.000 0.800 351 E CB -0.221 29.484 29.700 0.009 0.000 0.746 351 E HN 0.396 nan 8.360 nan 0.000 0.452 352 L N 0.039 121.271 121.223 0.016 0.000 2.083 352 L HA -0.145 4.195 4.340 -0.000 0.000 0.209 352 L C 2.529 179.425 176.870 0.044 0.000 1.083 352 L CA 0.855 55.709 54.840 0.024 0.000 0.752 352 L CB -0.389 41.678 42.059 0.013 0.000 0.899 352 L HN 0.260 nan 8.230 nan 0.000 0.433 353 L N -0.689 120.551 121.223 0.029 0.000 2.056 353 L HA -0.184 4.156 4.340 -0.000 0.000 0.207 353 L C 2.847 179.821 176.870 0.173 0.000 1.078 353 L CA 1.196 56.071 54.840 0.059 0.000 0.749 353 L CB -0.381 41.638 42.059 -0.067 0.000 0.901 353 L HN 0.202 nan 8.230 nan 0.000 0.433 354 R N -0.132 120.432 120.500 0.106 0.000 2.081 354 R HA -0.164 4.175 4.340 -0.000 0.000 0.235 354 R C 1.835 178.183 176.300 0.080 0.000 1.131 354 R CA 1.518 57.676 56.100 0.097 0.000 0.960 354 R CB -0.339 29.995 30.300 0.056 0.000 0.856 354 R HN 0.383 nan 8.270 nan 0.000 0.436 355 D N 0.398 120.838 120.400 0.067 0.000 2.219 355 D HA -0.087 4.553 4.640 -0.000 0.000 0.205 355 D C 1.510 177.848 176.300 0.062 0.000 0.970 355 D CA 1.166 55.197 54.000 0.051 0.000 0.851 355 D CB -0.005 40.818 40.800 0.039 0.000 0.943 355 D HN 0.252 nan 8.370 nan 0.000 0.488 356 A N -0.164 122.722 122.820 0.109 0.000 2.206 356 A HA 0.342 4.662 4.320 -0.000 0.000 0.211 356 A C 1.711 179.337 177.584 0.069 0.000 1.158 356 A CA 1.211 53.327 52.037 0.132 0.000 0.761 356 A CB -0.047 19.097 19.000 0.239 0.000 0.801 356 A HN 0.267 nan 8.150 nan 0.000 0.473 357 G N -2.757 106.072 108.800 0.048 0.000 2.138 357 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.193 357 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.193 357 G C -0.172 174.638 174.900 -0.151 0.000 0.998 357 G CA -0.074 44.984 45.100 -0.069 0.000 0.668 357 G HN 0.354 nan 8.290 nan 0.000 0.516 358 Y N -0.030 120.270 120.300 0.001 0.000 2.320 358 Y HA 0.566 5.116 4.550 -0.000 0.000 0.324 358 Y C 0.966 176.866 175.900 0.000 0.000 1.190 358 Y CA -0.073 58.027 58.100 0.001 0.000 1.215 358 Y CB 1.727 40.187 38.460 0.001 0.000 1.221 358 Y HN 0.536 nan 8.280 nan 0.000 0.486 359 V N -0.971 119.030 119.914 0.145 0.000 3.141 359 V HA 0.845 4.965 4.120 -0.000 0.000 0.312 359 V C -0.534 175.611 176.094 0.085 0.000 1.157 359 V CA -1.137 61.214 62.300 0.085 0.000 1.041 359 V CB 1.680 33.526 31.823 0.039 0.000 1.071 359 V HN 0.711 nan 8.190 nan 0.000 0.441 360 S N 0.522 116.254 115.700 0.053 0.000 2.501 360 S HA 0.851 5.321 4.470 -0.000 0.000 0.301 360 S C -0.691 173.927 174.600 0.029 0.000 1.096 360 S CA -0.368 57.856 58.200 0.041 0.000 1.063 360 S CB 1.410 64.628 63.200 0.030 0.000 1.042 360 S HN 1.288 nan 8.310 nan 0.000 0.494 361 E N 1.008 121.224 120.200 0.026 0.000 2.393 361 E HA 0.679 5.029 4.350 -0.000 0.000 0.273 361 E C -3.248 173.361 176.600 0.014 0.000 0.918 361 E CA -2.648 53.763 56.400 0.018 0.000 0.773 361 E CB 1.018 30.728 29.700 0.017 0.000 1.275 361 E HN 0.309 nan 8.360 nan 0.000 0.451 362 P HA -0.018 nan 4.420 nan 0.000 0.269 362 P C -0.692 176.613 177.300 0.008 0.000 1.217 362 P CA -0.354 62.751 63.100 0.008 0.000 0.783 362 P CB 0.463 32.166 31.700 0.006 0.000 0.898 363 V N 3.685 123.603 119.914 0.007 0.000 2.432 363 V HA 0.241 4.361 4.120 -0.000 0.000 0.275 363 V C -1.853 174.244 176.094 0.005 0.000 1.043 363 V CA -1.419 60.885 62.300 0.006 0.000 0.925 363 V CB 0.400 32.226 31.823 0.005 0.000 0.985 363 V HN 0.582 nan 8.190 nan 0.000 0.466 364 P HA 0.279 nan 4.420 nan 0.000 0.268 364 P C -2.554 174.748 177.300 0.003 0.000 1.204 364 P CA -0.829 62.273 63.100 0.003 0.000 0.768 364 P CB -0.251 31.451 31.700 0.003 0.000 0.842 365 P HA 0.278 nan 4.420 nan 0.000 0.276 365 P C -1.983 175.317 177.300 0.001 0.000 1.230 365 P CA -0.893 62.208 63.100 0.001 0.000 0.776 365 P CB -0.708 30.993 31.700 0.001 0.000 0.888 380 E N 0.237 120.439 120.200 0.004 0.000 2.367 380 E HA 0.253 4.603 4.350 -0.000 0.000 0.280 380 E C -2.086 174.519 176.600 0.008 0.000 1.228 380 E CA -0.388 56.016 56.400 0.007 0.000 0.990 380 E CB 0.944 30.648 29.700 0.006 0.000 1.208 380 E HN 0.404 nan 8.360 nan 0.000 0.406 381 R N 1.921 122.429 120.500 0.014 0.000 2.663 381 R HA 0.652 4.992 4.340 -0.000 0.000 0.267 381 R C -1.123 175.196 176.300 0.032 0.000 1.038 381 R CA -0.873 55.237 56.100 0.018 0.000 0.886 381 R CB 0.823 31.133 30.300 0.017 0.000 1.249 381 R HN 0.373 nan 8.270 nan 0.000 0.463 382 I N 3.005 123.598 120.570 0.038 0.000 2.336 382 I HA 0.446 4.616 4.170 -0.000 0.000 0.292 382 I C -0.072 176.127 176.117 0.137 0.000 0.991 382 I CA -1.060 60.285 61.300 0.075 0.000 1.227 382 I CB 1.779 39.795 38.000 0.027 0.000 1.366 382 I HN 0.554 nan 8.210 nan 0.000 0.466 383 V N 3.018 123.042 119.914 0.184 0.000 3.007 383 V HA 0.599 4.718 4.120 -0.000 0.000 0.311 383 V C -0.899 175.258 176.094 0.104 0.000 1.120 383 V CA -0.929 61.465 62.300 0.156 0.000 0.980 383 V CB 2.099 33.960 31.823 0.063 0.000 1.033 383 V HN 0.756 nan 8.190 nan 0.000 0.429 384 K N 2.201 122.563 120.400 -0.063 0.000 2.450 384 K HA 0.358 4.678 4.320 -0.000 0.000 0.257 384 K C -0.235 176.267 176.600 -0.163 0.000 0.953 384 K CA -0.325 55.770 56.287 -0.320 0.000 0.844 384 K CB 1.055 33.096 32.500 -0.766 0.000 1.103 384 K HN 1.060 nan 8.250 nan 0.000 0.429 385 D N 3.654 123.979 120.400 -0.126 0.000 2.720 385 D HA -0.214 4.426 4.640 -0.000 0.000 0.229 385 D C 0.666 176.938 176.300 -0.046 0.000 1.198 385 D CA 2.120 56.076 54.000 -0.074 0.000 0.639 385 D CB -1.014 39.741 40.800 -0.075 0.000 1.003 385 D HN 1.021 nan 8.370 nan 0.000 0.411 386 G N -1.634 107.148 108.800 -0.030 0.000 2.199 386 G HA2 -0.276 3.683 3.960 -0.000 0.000 0.254 386 G HA3 -0.276 3.683 3.960 -0.000 0.000 0.254 386 G C 0.363 175.262 174.900 -0.001 0.000 0.982 386 G CA 0.217 45.311 45.100 -0.011 0.000 0.632 386 G HN 0.919 nan 8.290 nan 0.000 0.529 387 V N 2.439 122.350 119.914 -0.004 0.000 2.333 387 V HA 0.446 4.565 4.120 -0.000 0.000 0.274 387 V C -1.766 174.360 176.094 0.053 0.000 1.028 387 V CA -1.702 60.607 62.300 0.015 0.000 0.851 387 V CB 1.506 33.332 31.823 0.005 0.000 1.000 387 V HN 0.094 nan 8.190 nan 0.000 0.456 388 P HA 0.070 nan 4.420 nan 0.000 0.268 388 P C -0.408 176.949 177.300 0.095 0.000 1.204 388 P CA -0.316 62.827 63.100 0.072 0.000 0.768 388 P CB 0.485 32.210 31.700 0.041 0.000 0.842 389 L N 4.326 125.624 121.223 0.124 0.000 2.410 389 L HA 0.277 4.617 4.340 -0.000 0.000 0.273 389 L C -0.110 176.778 176.870 0.029 0.000 1.144 389 L CA 1.140 56.040 54.840 0.099 0.000 0.863 389 L CB -0.139 41.928 42.059 0.012 0.000 1.140 389 L HN 0.263 nan 8.230 nan 0.000 0.463 390 T N 6.636 121.205 114.554 0.026 0.000 2.824 390 T HA 0.630 4.980 4.350 -0.000 0.000 0.282 390 T C -0.715 173.982 174.700 -0.005 0.000 0.993 390 T CA -0.340 61.764 62.100 0.007 0.000 0.967 390 T CB 0.922 69.798 68.868 0.013 0.000 0.960 390 T HN 0.347 nan 8.240 nan 0.000 0.441 391 I N 4.174 124.734 120.570 -0.016 0.000 2.468 391 I HA 0.356 4.526 4.170 -0.000 0.000 0.284 391 I C -0.500 175.603 176.117 -0.024 0.000 1.038 391 I CA -0.745 60.541 61.300 -0.022 0.000 1.083 391 I CB 1.678 39.659 38.000 -0.032 0.000 1.223 391 I HN 0.301 nan 8.210 nan 0.000 0.443 392 V N 7.261 127.160 119.914 -0.025 0.000 2.350 392 V HA 0.375 4.495 4.120 -0.000 0.000 0.276 392 V C 0.064 176.134 176.094 -0.040 0.000 1.028 392 V CA -0.566 61.716 62.300 -0.031 0.000 0.860 392 V CB 1.730 33.535 31.823 -0.029 0.000 0.990 392 V HN 0.400 nan 8.190 nan 0.000 0.453 393 L N 5.122 126.319 121.223 -0.044 0.000 2.257 393 L HA 0.618 4.957 4.340 -0.000 0.000 0.290 393 L C 0.999 177.831 176.870 -0.065 0.000 1.044 393 L CA 0.373 55.181 54.840 -0.054 0.000 0.810 393 L CB 1.027 43.055 42.059 -0.051 0.000 1.193 393 L HN 0.709 nan 8.230 nan 0.000 0.425 394 G N 2.329 111.080 108.800 -0.083 0.000 2.415 394 G HA2 0.546 4.506 3.960 -0.000 0.000 0.269 394 G HA3 0.546 4.506 3.960 -0.000 0.000 0.269 394 G C -1.092 173.738 174.900 -0.118 0.000 1.209 394 G CA -0.263 44.773 45.100 -0.107 0.000 0.835 394 G HN 0.438 nan 8.290 nan 0.000 0.534 395 V N 0.895 120.742 119.914 -0.111 0.000 3.147 395 V HA 0.704 4.824 4.120 -0.000 0.000 0.299 395 V C -0.360 175.692 176.094 -0.071 0.000 1.302 395 V CA -0.475 61.770 62.300 -0.091 0.000 1.015 395 V CB 2.039 33.822 31.823 -0.067 0.000 1.086 395 V HN 1.375 nan 8.190 nan 0.000 0.437 396 A N 2.979 125.778 122.820 -0.035 0.000 2.396 396 A HA 0.508 4.827 4.320 -0.000 0.000 0.279 396 A C 1.266 178.852 177.584 0.004 0.000 1.165 396 A CA 0.450 52.487 52.037 -0.001 0.000 0.824 396 A CB 0.537 19.572 19.000 0.058 0.000 1.100 396 A HN 1.784 nan 8.150 nan 0.000 0.516 397 S N 2.614 118.311 115.700 -0.004 0.000 2.469 397 S HA -0.171 4.299 4.470 -0.000 0.000 0.238 397 S C 1.450 176.054 174.600 0.007 0.000 0.998 397 S CA 1.293 59.492 58.200 -0.002 0.000 0.957 397 S CB -0.354 62.842 63.200 -0.006 0.000 0.764 397 S HN 0.754 nan 8.310 nan 0.000 0.514 398 N N 2.327 121.035 118.700 0.013 0.000 2.364 398 N HA -0.065 4.675 4.740 -0.000 0.000 0.183 398 N C -0.383 175.140 175.510 0.021 0.000 1.022 398 N CA 1.017 54.075 53.050 0.013 0.000 0.883 398 N CB -0.320 38.176 38.487 0.016 0.000 0.965 398 N HN 0.502 nan 8.380 nan 0.000 0.438 399 D N -1.030 119.394 120.400 0.040 0.000 2.408 399 D HA 0.282 4.922 4.640 -0.000 0.000 0.261 399 D C -2.071 174.263 176.300 0.057 0.000 1.190 399 D CA -2.176 51.868 54.000 0.073 0.000 0.910 399 D CB 1.360 42.246 40.800 0.143 0.000 1.097 399 D HN -0.024 nan 8.370 nan 0.000 0.522 400 P HA -0.090 nan 4.420 nan 0.000 0.218 400 P C 1.203 178.518 177.300 0.025 0.000 1.148 400 P CA 1.055 64.168 63.100 0.022 0.000 0.822 400 P CB 0.412 32.120 31.700 0.013 0.000 0.784 401 T N -1.211 113.375 114.554 0.054 0.000 2.737 401 T HA -0.085 4.265 4.350 -0.000 0.000 0.265 401 T C 1.998 176.704 174.700 0.011 0.000 1.038 401 T CA 1.648 63.782 62.100 0.057 0.000 1.144 401 T CB -0.902 68.050 68.868 0.142 0.000 0.866 401 T HN 0.080 nan 8.240 nan 0.000 0.434 402 S N 0.892 116.598 115.700 0.010 0.000 2.382 402 S HA -0.068 4.402 4.470 -0.000 0.000 0.228 402 S C 2.328 176.889 174.600 -0.065 0.000 1.027 402 S CA 0.663 58.806 58.200 -0.096 0.000 0.991 402 S CB -0.464 62.671 63.200 -0.108 0.000 0.823 402 S HN 0.259 nan 8.310 nan 0.000 0.469 403 V N 2.016 121.914 119.914 -0.027 0.000 2.343 403 V HA -0.215 3.905 4.120 -0.000 0.000 0.247 403 V C 2.641 178.717 176.094 -0.030 0.000 1.051 403 V CA 1.731 64.015 62.300 -0.027 0.000 1.036 403 V CB -1.223 30.592 31.823 -0.013 0.000 0.654 403 V HN 0.540 nan 8.190 nan 0.000 0.451 404 A N -0.248 122.558 122.820 -0.023 0.000 1.902 404 A HA -0.159 4.160 4.320 -0.000 0.000 0.217 404 A C 2.407 179.971 177.584 -0.033 0.000 1.181 404 A CA 2.093 54.117 52.037 -0.022 0.000 0.623 404 A CB -0.700 18.292 19.000 -0.013 0.000 0.818 404 A HN 0.330 nan 8.150 nan 0.000 0.443 405 V N -0.106 119.778 119.914 -0.050 0.000 2.295 405 V HA -0.266 3.854 4.120 -0.000 0.000 0.246 405 V C 3.082 179.140 176.094 -0.060 0.000 1.049 405 V CA 1.998 64.259 62.300 -0.064 0.000 1.024 405 V CB -1.286 30.473 31.823 -0.108 0.000 0.648 405 V HN 0.625 nan 8.190 nan 0.000 0.447 406 A N 0.137 122.918 122.820 -0.065 0.000 1.908 406 A HA -0.269 4.050 4.320 -0.000 0.000 0.218 406 A C 2.113 179.671 177.584 -0.043 0.000 1.181 406 A CA 2.160 54.163 52.037 -0.057 0.000 0.627 406 A CB -0.709 18.255 19.000 -0.060 0.000 0.818 406 A HN 0.610 nan 8.150 nan 0.000 0.445 407 N N -0.609 118.069 118.700 -0.036 0.000 2.142 407 N HA -0.105 4.634 4.740 -0.000 0.000 0.186 407 N C 1.709 177.204 175.510 -0.025 0.000 1.023 407 N CA 1.889 54.922 53.050 -0.028 0.000 0.852 407 N CB -0.459 38.015 38.487 -0.023 0.000 0.998 407 N HN 0.492 nan 8.380 nan 0.000 0.424 408 T N 1.158 115.697 114.554 -0.026 0.000 2.821 408 T HA -0.019 4.331 4.350 -0.000 0.000 0.267 408 T C 1.993 176.679 174.700 -0.024 0.000 1.046 408 T CA 1.113 63.200 62.100 -0.022 0.000 1.139 408 T CB -0.188 68.667 68.868 -0.021 0.000 0.871 408 T HN 0.306 nan 8.240 nan 0.000 0.454 409 A N 1.543 124.345 122.820 -0.029 0.000 1.877 409 A HA 0.106 4.426 4.320 -0.000 0.000 0.216 409 A C 2.643 180.210 177.584 -0.027 0.000 1.186 409 A CA 1.889 53.909 52.037 -0.029 0.000 0.620 409 A CB -1.126 17.853 19.000 -0.035 0.000 0.822 409 A HN 0.505 nan 8.150 nan 0.000 0.443 410 A N -0.078 122.725 122.820 -0.028 0.000 1.902 410 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 410 A C 1.782 179.352 177.584 -0.022 0.000 1.181 410 A CA 1.854 53.875 52.037 -0.026 0.000 0.623 410 A CB -0.638 18.346 19.000 -0.026 0.000 0.818 410 A HN 0.465 nan 8.150 nan 0.000 0.443 411 D N -0.244 120.144 120.400 -0.020 0.000 2.116 411 D HA -0.195 4.445 4.640 -0.000 0.000 0.193 411 D C 2.165 178.455 176.300 -0.017 0.000 0.998 411 D CA 1.656 55.646 54.000 -0.017 0.000 0.836 411 D CB -0.441 40.350 40.800 -0.015 0.000 0.951 411 D HN 0.617 nan 8.370 nan 0.000 0.449 412 Q N -0.205 119.584 119.800 -0.018 0.000 2.084 412 Q HA -0.079 4.261 4.340 -0.000 0.000 0.202 412 Q C 2.567 178.554 176.000 -0.022 0.000 0.978 412 Q CA 0.712 56.504 55.803 -0.018 0.000 0.844 412 Q CB -0.071 28.657 28.738 -0.018 0.000 0.898 412 Q HN 0.346 nan 8.270 nan 0.000 0.426 413 L N -0.054 121.153 121.223 -0.026 0.000 2.109 413 L HA -0.140 4.200 4.340 -0.000 0.000 0.207 413 L C 2.409 179.262 176.870 -0.028 0.000 1.086 413 L CA 0.957 55.778 54.840 -0.032 0.000 0.760 413 L CB -0.317 41.721 42.059 -0.036 0.000 0.910 413 L HN 0.130 nan 8.230 nan 0.000 0.437 414 R N -0.159 120.328 120.500 -0.022 0.000 2.148 414 R HA -0.097 4.242 4.340 -0.000 0.000 0.227 414 R C 1.950 178.241 176.300 -0.015 0.000 1.103 414 R CA 0.840 56.930 56.100 -0.018 0.000 0.983 414 R CB -0.369 29.922 30.300 -0.015 0.000 0.874 414 R HN 0.381 nan 8.270 nan 0.000 0.451 415 N N 0.694 119.385 118.700 -0.015 0.000 2.289 415 N HA -0.108 4.632 4.740 -0.000 0.000 0.184 415 N C 1.521 177.023 175.510 -0.013 0.000 1.016 415 N CA 1.405 54.447 53.050 -0.013 0.000 0.872 415 N CB 0.230 38.710 38.487 -0.012 0.000 0.973 415 N HN 0.180 nan 8.380 nan 0.000 0.433 416 V N -4.307 115.596 119.914 -0.018 0.000 3.542 416 V HA 0.517 4.637 4.120 -0.000 0.000 0.296 416 V C 1.105 177.188 176.094 -0.018 0.000 1.364 416 V CA 0.326 62.614 62.300 -0.019 0.000 1.118 416 V CB 0.083 31.891 31.823 -0.026 0.000 0.972 416 V HN 0.189 nan 8.190 nan 0.000 0.430 417 G N 0.856 109.646 108.800 -0.016 0.000 2.131 417 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.223 417 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.223 417 G C -0.139 174.753 174.900 -0.014 0.000 0.990 417 G CA 0.127 45.221 45.100 -0.010 0.000 0.671 417 G HN 0.574 nan 8.290 nan 0.000 0.521 418 I N 1.095 121.649 120.570 -0.027 0.000 2.365 418 I HA 0.221 4.391 4.170 -0.000 0.000 0.291 418 I C 0.136 176.240 176.117 -0.021 0.000 1.004 418 I CA -0.565 60.715 61.300 -0.033 0.000 1.311 418 I CB 1.238 39.204 38.000 -0.058 0.000 1.401 418 I HN -0.001 nan 8.210 nan 0.000 0.491 419 D N 6.685 127.078 120.400 -0.013 0.000 2.545 419 D HA 0.268 4.908 4.640 -0.000 0.000 0.227 419 D C -0.140 176.152 176.300 -0.014 0.000 1.150 419 D CA 0.019 54.014 54.000 -0.009 0.000 1.046 419 D CB 0.177 40.977 40.800 -0.000 0.000 1.098 419 D HN 0.538 nan 8.370 nan 0.000 0.502 420 A N 2.113 124.921 122.820 -0.019 0.000 2.306 420 A HA 0.693 5.013 4.320 -0.000 0.000 0.314 420 A C 0.034 177.606 177.584 -0.021 0.000 1.164 420 A CA -0.482 51.542 52.037 -0.022 0.000 0.822 420 A CB 0.910 19.893 19.000 -0.027 0.000 1.130 420 A HN 0.496 nan 8.150 nan 0.000 0.496 421 S N 0.119 115.806 115.700 -0.023 0.000 2.607 421 S HA 0.726 5.195 4.470 -0.000 0.000 0.273 421 S C -1.180 173.403 174.600 -0.028 0.000 1.148 421 S CA -0.670 57.517 58.200 -0.023 0.000 0.833 421 S CB 1.319 64.507 63.200 -0.019 0.000 1.130 421 S HN 0.940 nan 8.310 nan 0.000 0.470 422 V N 1.737 121.634 119.914 -0.028 0.000 2.448 422 V HA 0.567 4.687 4.120 -0.000 0.000 0.295 422 V C -1.056 175.018 176.094 -0.033 0.000 1.025 422 V CA -0.596 61.684 62.300 -0.034 0.000 0.859 422 V CB 1.240 33.043 31.823 -0.033 0.000 0.988 422 V HN 0.827 nan 8.190 nan 0.000 0.431 423 L N 5.399 126.598 121.223 -0.041 0.000 2.297 423 L HA 0.753 5.093 4.340 -0.000 0.000 0.277 423 L C 0.480 177.322 176.870 -0.048 0.000 1.040 423 L CA -0.177 54.638 54.840 -0.041 0.000 0.867 423 L CB 0.800 42.832 42.059 -0.044 0.000 1.244 423 L HN 0.736 nan 8.230 nan 0.000 0.433 424 A N 6.491 129.288 122.820 -0.038 0.000 2.309 424 A HA 0.675 4.995 4.320 -0.000 0.000 0.290 424 A C -0.659 176.905 177.584 -0.034 0.000 1.206 424 A CA -0.244 51.771 52.037 -0.036 0.000 0.850 424 A CB -0.032 18.953 19.000 -0.025 0.000 1.118 424 A HN 0.718 nan 8.150 nan 0.000 0.523 425 L N 1.593 122.790 121.223 -0.042 0.000 2.309 425 L HA 0.394 4.734 4.340 -0.000 0.000 0.261 425 L C -0.495 176.360 176.870 -0.024 0.000 1.021 425 L CA -1.262 53.556 54.840 -0.037 0.000 0.823 425 L CB 1.645 43.670 42.059 -0.056 0.000 1.366 425 L HN 0.547 nan 8.230 nan 0.000 0.423 426 D N 1.829 122.221 120.400 -0.012 0.000 2.488 426 D HA 0.015 4.654 4.640 -0.000 0.000 0.238 426 D C -1.597 174.712 176.300 0.014 0.000 1.138 426 D CA -0.833 53.169 54.000 0.003 0.000 0.873 426 D CB 1.243 42.047 40.800 0.007 0.000 1.183 426 D HN 0.246 nan 8.370 nan 0.000 0.458 427 P HA -0.162 nan 4.420 nan 0.000 0.216 427 P C 1.583 178.971 177.300 0.147 0.000 1.153 427 P CA 0.627 63.790 63.100 0.105 0.000 0.858 427 P CB 0.306 32.066 31.700 0.100 0.000 0.789 428 V N 0.070 120.040 119.914 0.093 0.000 2.307 428 V HA -0.233 3.887 4.120 -0.000 0.000 0.245 428 V C 2.510 178.646 176.094 0.069 0.000 1.045 428 V CA 2.215 64.570 62.300 0.092 0.000 1.024 428 V CB -1.723 30.135 31.823 0.059 0.000 0.651 428 V HN 0.104 nan 8.190 nan 0.000 0.449 429 A N -0.202 122.637 122.820 0.030 0.000 1.933 429 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 429 A C 2.150 179.715 177.584 -0.033 0.000 1.175 429 A CA 2.061 54.099 52.037 0.001 0.000 0.628 429 A CB -0.561 18.433 19.000 -0.010 0.000 0.814 429 A HN 0.450 nan 8.150 nan 0.000 0.444 430 L N -1.324 119.856 121.223 -0.071 0.000 1.970 430 L HA -0.162 4.178 4.340 -0.000 0.000 0.212 430 L C 2.273 178.974 176.870 -0.282 0.000 1.071 430 L CA 2.159 56.864 54.840 -0.225 0.000 0.751 430 L CB -0.915 40.931 42.059 -0.355 0.000 0.889 430 L HN 0.477 nan 8.230 nan 0.000 0.432 431 Y N -1.023 119.271 120.300 -0.011 0.000 2.420 431 Y HA 0.141 4.691 4.550 -0.000 0.000 0.292 431 Y C 2.323 178.213 175.900 -0.016 0.000 1.119 431 Y CA 0.822 58.913 58.100 -0.014 0.000 1.229 431 Y CB -0.440 38.014 38.460 -0.009 0.000 1.026 431 Y HN 0.280 nan 8.280 nan 0.000 0.554 432 G N -1.286 107.582 108.800 0.113 0.000 2.545 432 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.212 432 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.212 432 G C 0.935 175.848 174.900 0.022 0.000 1.144 432 G CA 0.943 46.079 45.100 0.061 0.000 0.813 432 G HN 0.324 nan 8.290 nan 0.000 0.531 433 D N -0.073 120.330 120.400 0.005 0.000 2.995 433 D HA 0.229 4.869 4.640 -0.000 0.000 0.289 433 D C 2.588 178.874 176.300 -0.023 0.000 1.116 433 D CA 0.878 54.872 54.000 -0.009 0.000 0.994 433 D CB -0.377 40.417 40.800 -0.009 0.000 1.209 433 D HN 0.072 nan 8.370 nan 0.000 0.458 434 A N 0.942 123.737 122.820 -0.043 0.000 1.902 434 A HA -0.051 4.269 4.320 -0.000 0.000 0.217 434 A C 2.413 179.964 177.584 -0.055 0.000 1.181 434 A CA 1.222 53.224 52.037 -0.057 0.000 0.623 434 A CB -0.835 18.113 19.000 -0.087 0.000 0.818 434 A HN 0.373 nan 8.150 nan 0.000 0.443 435 L N -0.662 120.527 121.223 -0.057 0.000 2.072 435 L HA -0.103 4.237 4.340 -0.000 0.000 0.205 435 L C 2.466 179.325 176.870 -0.018 0.000 1.079 435 L CA 0.914 55.731 54.840 -0.039 0.000 0.752 435 L CB -0.635 41.410 42.059 -0.024 0.000 0.906 435 L HN 0.231 nan 8.230 nan 0.000 0.436 436 V N -0.065 119.842 119.914 -0.010 0.000 2.490 436 V HA -0.208 3.912 4.120 -0.000 0.000 0.250 436 V C 1.343 177.431 176.094 -0.011 0.000 1.061 436 V CA 1.478 63.774 62.300 -0.007 0.000 1.064 436 V CB -0.530 31.291 31.823 -0.004 0.000 0.670 436 V HN 0.523 nan 8.190 nan 0.000 0.461 437 N N 0.481 119.173 118.700 -0.015 0.000 2.275 437 N HA 0.101 4.841 4.740 -0.000 0.000 0.236 437 N C -0.194 175.307 175.510 -0.016 0.000 1.154 437 N CA -0.021 53.020 53.050 -0.014 0.000 0.866 437 N CB 0.193 38.672 38.487 -0.013 0.000 1.093 437 N HN 0.494 nan 8.380 nan 0.000 0.515 438 N N 0.973 119.662 118.700 -0.019 0.000 2.716 438 N HA -0.200 4.540 4.740 -0.000 0.000 0.250 438 N C 0.668 176.165 175.510 -0.022 0.000 1.033 438 N CA 0.414 53.453 53.050 -0.019 0.000 0.727 438 N CB -0.603 37.876 38.487 -0.012 0.000 0.950 438 N HN 0.230 nan 8.380 nan 0.000 0.541 439 R N 0.232 120.714 120.500 -0.030 0.000 2.275 439 R HA 0.116 4.456 4.340 -0.000 0.000 0.199 439 R C 0.827 177.105 176.300 -0.037 0.000 0.989 439 R CA 0.556 56.637 56.100 -0.031 0.000 1.016 439 R CB 0.396 30.676 30.300 -0.033 0.000 0.918 439 R HN 0.422 nan 8.270 nan 0.000 0.473 440 V N -3.505 116.382 119.914 -0.044 0.000 3.040 440 V HA 0.487 4.607 4.120 -0.000 0.000 0.312 440 V C -0.139 175.932 176.094 -0.039 0.000 1.115 440 V CA -0.883 61.388 62.300 -0.048 0.000 0.998 440 V CB 2.674 34.454 31.823 -0.071 0.000 1.042 440 V HN -0.138 nan 8.190 nan 0.000 0.433 441 D N 1.198 121.577 120.400 -0.036 0.000 2.392 441 D HA 0.523 5.162 4.640 -0.000 0.000 0.206 441 D C 0.572 176.852 176.300 -0.032 0.000 1.046 441 D CA 1.337 55.320 54.000 -0.027 0.000 0.865 441 D CB 1.526 42.313 40.800 -0.021 0.000 0.969 441 D HN 1.001 nan 8.370 nan 0.000 0.509 442 A N 0.135 122.928 122.820 -0.044 0.000 2.609 442 A HA 0.615 4.935 4.320 -0.000 0.000 0.291 442 A C -1.391 176.152 177.584 -0.069 0.000 1.096 442 A CA -0.544 51.464 52.037 -0.048 0.000 0.684 442 A CB 1.752 20.727 19.000 -0.041 0.000 1.282 442 A HN -0.114 nan 8.150 nan 0.000 0.412 443 V N 0.557 120.430 119.914 -0.070 0.000 2.638 443 V HA 0.604 4.724 4.120 -0.000 0.000 0.306 443 V C -0.690 175.357 176.094 -0.079 0.000 1.052 443 V CA -0.603 61.641 62.300 -0.092 0.000 0.885 443 V CB 1.699 33.465 31.823 -0.095 0.000 0.999 443 V HN 0.756 nan 8.190 nan 0.000 0.424 444 V N 3.238 123.095 119.914 -0.094 0.000 2.448 444 V HA 1.020 5.140 4.120 -0.000 0.000 0.295 444 V C 0.532 176.554 176.094 -0.120 0.000 1.025 444 V CA 0.293 62.523 62.300 -0.116 0.000 0.859 444 V CB 1.188 32.934 31.823 -0.127 0.000 0.988 444 V HN 1.186 nan 8.190 nan 0.000 0.431 445 G N 2.924 111.626 108.800 -0.163 0.000 2.430 445 G HA2 0.455 4.415 3.960 -0.000 0.000 0.300 445 G HA3 0.455 4.415 3.960 -0.000 0.000 0.300 445 G C -2.290 172.486 174.900 -0.207 0.000 1.330 445 G CA -0.822 44.194 45.100 -0.139 0.000 0.813 445 G HN 0.496 nan 8.290 nan 0.000 0.487 446 W N 0.439 121.763 121.300 0.040 0.000 2.449 446 W HA 0.783 5.443 4.660 -0.000 0.000 0.331 446 W C 0.610 177.133 176.519 0.008 0.000 1.119 446 W CA -0.594 56.762 57.345 0.018 0.000 1.240 446 W CB 1.306 30.769 29.460 0.006 0.000 1.251 446 W HN 0.151 nan 8.180 nan 0.000 0.576 447 R N 1.283 121.947 120.500 0.273 0.000 2.803 447 R HA 0.272 4.612 4.340 -0.000 0.000 0.276 447 R C -0.545 175.846 176.300 0.151 0.000 0.978 447 R CA -1.395 54.795 56.100 0.149 0.000 0.939 447 R CB 1.755 32.108 30.300 0.089 0.000 1.179 447 R HN 0.574 nan 8.270 nan 0.000 0.472 448 Q N 0.732 120.588 119.800 0.094 0.000 2.361 448 Q HA 0.351 4.691 4.340 -0.000 0.000 0.276 448 Q C -1.039 175.017 176.000 0.093 0.000 1.022 448 Q CA 0.097 55.949 55.803 0.082 0.000 0.898 448 Q CB 0.941 29.720 28.738 0.069 0.000 1.246 448 Q HN 0.676 nan 8.270 nan 0.000 0.410 449 A N 1.819 124.692 122.820 0.088 0.000 2.365 449 A HA 0.692 5.012 4.320 -0.000 0.000 0.318 449 A C 0.431 178.069 177.584 0.090 0.000 1.091 449 A CA 0.174 52.262 52.037 0.086 0.000 0.763 449 A CB 1.349 20.393 19.000 0.074 0.000 1.248 449 A HN 1.057 nan 8.150 nan 0.000 0.442 450 G N 0.641 109.501 108.800 0.100 0.000 2.179 450 G HA2 0.109 4.069 3.960 -0.000 0.000 0.220 450 G HA3 0.109 4.069 3.960 -0.000 0.000 0.220 450 G C 0.732 175.744 174.900 0.186 0.000 0.990 450 G CA 0.302 45.478 45.100 0.126 0.000 0.646 450 G HN 1.848 nan 8.290 nan 0.000 0.517 451 G N -0.318 108.574 108.800 0.153 0.000 2.477 451 G HA2 0.516 4.476 3.960 -0.000 0.000 0.304 451 G HA3 0.516 4.476 3.960 -0.000 0.000 0.304 451 G C -0.240 174.719 174.900 0.099 0.000 1.175 451 G CA 0.317 45.499 45.100 0.135 0.000 0.907 451 G HN 0.470 nan 8.290 nan 0.000 0.509 452 D N -0.347 120.082 120.400 0.049 0.000 2.583 452 D HA -0.063 4.577 4.640 -0.000 0.000 0.232 452 D C 1.575 177.907 176.300 0.054 0.000 1.128 452 D CA 0.190 54.205 54.000 0.025 0.000 0.859 452 D CB 0.494 41.271 40.800 -0.039 0.000 1.169 452 D HN 0.164 nan 8.370 nan 0.000 0.481 453 L N 3.733 124.988 121.223 0.053 0.000 2.109 453 L HA -0.050 4.290 4.340 -0.000 0.000 0.207 453 L C 2.444 179.356 176.870 0.070 0.000 1.086 453 L CA 0.954 55.834 54.840 0.067 0.000 0.760 453 L CB -0.532 41.565 42.059 0.063 0.000 0.910 453 L HN 0.589 nan 8.230 nan 0.000 0.437 454 A N -0.016 122.838 122.820 0.056 0.000 1.933 454 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 454 A C 2.364 180.004 177.584 0.094 0.000 1.175 454 A CA 2.351 54.428 52.037 0.067 0.000 0.628 454 A CB -0.868 18.163 19.000 0.051 0.000 0.814 454 A HN 0.384 nan 8.150 nan 0.000 0.444 455 T N -0.468 114.152 114.554 0.110 0.000 2.777 455 T HA -0.087 4.263 4.350 -0.000 0.000 0.266 455 T C 1.875 176.627 174.700 0.086 0.000 1.040 455 T CA 1.361 63.532 62.100 0.118 0.000 1.141 455 T CB -0.416 68.541 68.868 0.148 0.000 0.868 455 T HN 0.149 nan 8.240 nan 0.000 0.444 456 V N 1.730 121.696 119.914 0.088 0.000 2.255 456 V HA -0.152 3.968 4.120 -0.000 0.000 0.247 456 V C 2.423 178.589 176.094 0.121 0.000 1.051 456 V CA 1.580 63.933 62.300 0.089 0.000 1.018 456 V CB -0.739 31.146 31.823 0.104 0.000 0.641 456 V HN 0.328 nan 8.190 nan 0.000 0.445 457 L N 0.793 122.110 121.223 0.157 0.000 1.989 457 L HA -0.145 4.195 4.340 -0.000 0.000 0.211 457 L C 2.445 179.438 176.870 0.205 0.000 1.071 457 L CA 2.596 57.576 54.840 0.234 0.000 0.749 457 L CB -1.170 40.968 42.059 0.131 0.000 0.890 457 L HN 0.242 nan 8.230 nan 0.000 0.431 458 A N -1.399 121.489 122.820 0.115 0.000 1.877 458 A HA -0.206 4.114 4.320 -0.000 0.000 0.216 458 A C 2.366 179.975 177.584 0.041 0.000 1.186 458 A CA 2.161 54.245 52.037 0.077 0.000 0.620 458 A CB -1.111 17.924 19.000 0.059 0.000 0.822 458 A HN 0.562 nan 8.150 nan 0.000 0.443 459 S N -0.426 115.285 115.700 0.020 0.000 2.370 459 S HA -0.167 4.303 4.470 -0.000 0.000 0.226 459 S C 2.047 176.589 174.600 -0.097 0.000 1.033 459 S CA 1.665 59.850 58.200 -0.025 0.000 1.011 459 S CB -0.266 62.924 63.200 -0.016 0.000 0.852 459 S HN 0.638 nan 8.310 nan 0.000 0.457 460 R N -1.021 119.366 120.500 -0.188 0.000 2.189 460 R HA 0.161 4.500 4.340 -0.000 0.000 0.203 460 R C 1.026 176.939 176.300 -0.645 0.000 1.012 460 R CA 0.781 56.583 56.100 -0.496 0.000 1.015 460 R CB 0.019 29.849 30.300 -0.784 0.000 0.938 460 R HN 0.476 nan 8.270 nan 0.000 0.472 461 Y N -0.689 119.600 120.300 -0.018 0.000 2.432 461 Y HA 0.329 4.878 4.550 -0.000 0.000 0.252 461 Y C 1.246 177.138 175.900 -0.012 0.000 1.097 461 Y CA -0.550 57.537 58.100 -0.023 0.000 1.250 461 Y CB 0.493 38.931 38.460 -0.036 0.000 1.245 461 Y HN -0.036 nan 8.280 nan 0.000 0.522 462 G N -0.436 108.427 108.800 0.106 0.000 2.544 462 G HA2 0.105 4.065 3.960 -0.000 0.000 0.242 462 G HA3 0.105 4.065 3.960 -0.000 0.000 0.242 462 G C 0.651 175.576 174.900 0.042 0.000 1.247 462 G CA -0.204 44.938 45.100 0.071 0.000 0.840 462 G HN 0.410 nan 8.290 nan 0.000 0.578 463 c N 0.495 119.117 118.600 0.038 0.000 2.450 463 c HA 0.001 4.571 4.570 -0.000 0.000 0.279 463 c C 2.889 176.989 174.090 0.017 0.000 1.335 463 c CA 0.333 56.678 56.329 0.026 0.000 1.749 463 c CB -0.798 41.727 42.510 0.025 0.000 1.963 463 c HN 0.847 nan 8.230 nan 0.000 0.501 464 R N 1.348 121.858 120.500 0.017 0.000 2.148 464 R HA -0.009 4.331 4.340 -0.000 0.000 0.227 464 R C 1.949 178.251 176.300 0.003 0.000 1.103 464 R CA 1.337 57.443 56.100 0.011 0.000 0.983 464 R CB -0.290 30.019 30.300 0.014 0.000 0.874 464 R HN 0.484 nan 8.270 nan 0.000 0.451 465 A N 0.386 123.206 122.820 0.001 0.000 2.302 465 A HA 0.124 4.444 4.320 -0.000 0.000 0.219 465 A C 1.653 179.228 177.584 -0.015 0.000 1.243 465 A CA 0.266 52.296 52.037 -0.012 0.000 0.856 465 A CB -0.111 18.878 19.000 -0.018 0.000 0.893 465 A HN 0.172 nan 8.150 nan 0.000 0.491 466 L N -0.881 120.337 121.223 -0.007 0.000 2.357 466 L HA 0.080 4.419 4.340 -0.000 0.000 0.211 466 L C 0.384 177.249 176.870 -0.008 0.000 1.075 466 L CA -0.002 54.834 54.840 -0.007 0.000 0.830 466 L CB -0.155 41.905 42.059 0.001 0.000 0.996 466 L HN 0.356 nan 8.230 nan 0.000 0.467 467 E N 1.209 121.405 120.200 -0.007 0.000 2.868 467 E HA 0.178 4.528 4.350 -0.000 0.000 0.246 467 E C -0.093 176.498 176.600 -0.015 0.000 0.962 467 E CA 0.284 56.679 56.400 -0.008 0.000 0.955 467 E CB 0.225 29.921 29.700 -0.006 0.000 0.903 467 E HN 0.352 nan 8.360 nan 0.000 0.524 517 A N 3.462 126.231 122.820 -0.085 0.000 2.409 517 A HA 0.655 4.975 4.320 -0.000 0.000 0.267 517 A C -1.957 175.597 177.584 -0.050 0.000 1.127 517 A CA -1.123 50.878 52.037 -0.060 0.000 0.795 517 A CB -0.149 18.814 19.000 -0.063 0.000 1.061 517 A HN 0.416 nan 8.150 nan 0.000 0.502 518 P HA 0.071 nan 4.420 nan 0.000 0.267 518 P C 0.640 177.922 177.300 -0.030 0.000 1.205 518 P CA 0.131 63.214 63.100 -0.027 0.000 0.765 518 P CB 1.217 32.907 31.700 -0.016 0.000 0.828 519 S N 1.247 116.922 115.700 -0.041 0.000 2.486 519 S HA -0.023 4.447 4.470 -0.000 0.000 0.220 519 S C 0.907 175.466 174.600 -0.069 0.000 1.011 519 S CA -0.109 58.058 58.200 -0.054 0.000 0.921 519 S CB -0.457 62.710 63.200 -0.055 0.000 0.785 519 S HN 0.419 nan 8.310 nan 0.000 0.517 520 N N 2.598 121.259 118.700 -0.064 0.000 2.448 520 N HA 0.181 4.921 4.740 -0.000 0.000 0.250 520 N C 0.529 176.009 175.510 -0.050 0.000 1.136 520 N CA -0.484 52.517 53.050 -0.083 0.000 0.953 520 N CB 0.355 38.805 38.487 -0.061 0.000 1.251 520 N HN 0.664 nan 8.380 nan 0.000 0.502 521 I N -0.044 120.496 120.570 -0.050 0.000 3.812 521 I HA 0.164 4.333 4.170 -0.000 0.000 0.320 521 I C 1.055 177.160 176.117 -0.020 0.000 1.276 521 I CA -0.113 61.180 61.300 -0.011 0.000 1.164 521 I CB 0.041 38.061 38.000 0.034 0.000 1.009 521 I HN 0.125 nan 8.210 nan 0.000 0.431 522 T N 1.190 115.723 114.554 -0.036 0.000 2.942 522 T HA 0.125 4.475 4.350 -0.000 0.000 0.265 522 T C 1.684 176.382 174.700 -0.003 0.000 1.062 522 T CA 1.592 63.680 62.100 -0.021 0.000 1.139 522 T CB -0.228 68.628 68.868 -0.020 0.000 0.883 522 T HN 0.798 nan 8.240 nan 0.000 0.468 523 G N 1.272 110.070 108.800 -0.004 0.000 2.217 523 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.246 523 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.246 523 G C 0.207 175.113 174.900 0.010 0.000 0.990 523 G CA 0.321 45.422 45.100 0.003 0.000 0.627 523 G HN 0.727 nan 8.290 nan 0.000 0.522 524 I N -2.239 118.341 120.570 0.017 0.000 3.191 524 I HA 0.855 5.025 4.170 -0.000 0.000 0.313 524 I C 0.226 176.367 176.117 0.039 0.000 1.193 524 I CA -1.030 60.286 61.300 0.026 0.000 0.968 524 I CB 2.024 40.042 38.000 0.030 0.000 1.262 524 I HN 0.693 nan 8.210 nan 0.000 0.456 525 c N 0.015 118.640 118.600 0.042 0.000 3.291 525 c HA 0.636 5.206 4.570 -0.000 0.000 0.316 525 c C -1.164 172.952 174.090 0.044 0.000 1.391 525 c CA -0.608 55.754 56.329 0.056 0.000 1.394 525 c CB 1.628 44.168 42.510 0.050 0.000 1.744 525 c HN 0.917 nan 8.230 nan 0.000 0.461 526 D N 0.409 120.835 120.400 0.044 0.000 2.373 526 D HA 0.320 4.960 4.640 -0.000 0.000 0.227 526 D C 0.881 177.196 176.300 0.025 0.000 1.091 526 D CA -0.127 53.890 54.000 0.029 0.000 0.840 526 D CB 1.374 42.185 40.800 0.020 0.000 1.060 526 D HN 0.641 nan 8.370 nan 0.000 0.502 527 R N 1.730 122.243 120.500 0.022 0.000 2.115 527 R HA -0.128 4.212 4.340 -0.000 0.000 0.230 527 R C 2.143 178.453 176.300 0.016 0.000 1.111 527 R CA 1.793 57.904 56.100 0.019 0.000 0.976 527 R CB -0.182 30.128 30.300 0.017 0.000 0.870 527 R HN 0.458 nan 8.270 nan 0.000 0.445 528 S N -0.023 115.685 115.700 0.014 0.000 2.447 528 S HA -0.122 4.348 4.470 -0.000 0.000 0.233 528 S C 1.792 176.397 174.600 0.009 0.000 1.006 528 S CA 1.121 59.327 58.200 0.011 0.000 0.957 528 S CB -0.556 62.650 63.200 0.010 0.000 0.773 528 S HN 0.589 nan 8.310 nan 0.000 0.507 529 I N -1.962 118.614 120.570 0.010 0.000 3.860 529 I HA 0.329 4.498 4.170 -0.000 0.000 0.319 529 I C 2.191 178.315 176.117 0.013 0.000 1.279 529 I CA 0.100 61.404 61.300 0.007 0.000 1.220 529 I CB -0.215 37.784 38.000 -0.002 0.000 1.027 529 I HN 0.110 nan 8.210 nan 0.000 0.428 530 Q N 2.656 122.467 119.800 0.018 0.000 2.096 530 Q HA -0.082 4.258 4.340 -0.000 0.000 0.204 530 Q C -0.535 175.476 176.000 0.019 0.000 0.982 530 Q CA 2.486 58.302 55.803 0.022 0.000 0.850 530 Q CB -1.398 27.354 28.738 0.023 0.000 0.901 530 Q HN 0.359 nan 8.270 nan 0.000 0.422 531 P HA -0.156 nan 4.420 nan 0.000 0.216 531 P C 0.662 177.968 177.300 0.011 0.000 1.150 531 P CA 1.291 64.398 63.100 0.012 0.000 0.837 531 P CB -0.007 31.699 31.700 0.009 0.000 0.786 532 R N -0.575 119.931 120.500 0.010 0.000 2.075 532 R HA 0.009 4.349 4.340 -0.000 0.000 0.232 532 R C 2.361 178.669 176.300 0.014 0.000 1.126 532 R CA 1.064 57.169 56.100 0.009 0.000 0.963 532 R CB -1.522 28.781 30.300 0.005 0.000 0.858 532 R HN 0.319 nan 8.270 nan 0.000 0.435 533 I N 1.385 121.967 120.570 0.020 0.000 2.179 533 I HA -0.271 3.899 4.170 -0.000 0.000 0.242 533 I C 1.676 177.812 176.117 0.031 0.000 1.088 533 I CA 1.430 62.749 61.300 0.031 0.000 1.357 533 I CB -0.397 37.628 38.000 0.043 0.000 1.051 533 I HN 0.045 nan 8.210 nan 0.000 0.409 534 D N 1.145 121.560 120.400 0.025 0.000 2.117 534 D HA -0.153 4.486 4.640 -0.000 0.000 0.197 534 D C 2.233 178.543 176.300 0.016 0.000 0.987 534 D CA 1.649 55.662 54.000 0.022 0.000 0.829 534 D CB -0.187 40.624 40.800 0.018 0.000 0.961 534 D HN 0.362 nan 8.370 nan 0.000 0.460 535 A N 0.834 123.660 122.820 0.010 0.000 1.969 535 A HA 0.058 4.378 4.320 -0.000 0.000 0.218 535 A C 2.276 179.860 177.584 0.000 0.000 1.169 535 A CA 1.817 53.855 52.037 0.002 0.000 0.635 535 A CB -0.476 18.525 19.000 0.001 0.000 0.810 535 A HN 0.227 nan 8.150 nan 0.000 0.445 536 A N -0.527 122.298 122.820 0.009 0.000 1.898 536 A HA 0.017 4.337 4.320 -0.000 0.000 0.216 536 A C 2.088 179.680 177.584 0.014 0.000 1.181 536 A CA 1.592 53.635 52.037 0.009 0.000 0.620 536 A CB -0.549 18.462 19.000 0.018 0.000 0.819 536 A HN 0.553 nan 8.150 nan 0.000 0.442 537 L N 0.808 122.053 121.223 0.036 0.000 2.093 537 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 537 L C 1.731 178.640 176.870 0.065 0.000 1.085 537 L CA 2.521 57.407 54.840 0.077 0.000 0.755 537 L CB -0.449 41.662 42.059 0.087 0.000 0.904 537 L HN 0.616 nan 8.230 nan 0.000 0.435 538 D N -1.617 118.789 120.400 0.011 0.000 2.349 538 D HA 0.123 4.763 4.640 -0.000 0.000 0.215 538 D C 1.532 177.783 176.300 -0.081 0.000 1.016 538 D CA 0.694 54.668 54.000 -0.043 0.000 0.870 538 D CB -0.234 40.537 40.800 -0.048 0.000 0.917 538 D HN 0.332 nan 8.370 nan 0.000 0.524 539 G N 0.050 108.816 108.800 -0.057 0.000 2.136 539 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.242 539 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.242 539 G C 0.992 175.864 174.900 -0.047 0.000 0.989 539 G CA 0.839 45.901 45.100 -0.063 0.000 0.682 539 G HN 0.612 nan 8.290 nan 0.000 0.522 540 T N -3.512 111.020 114.554 -0.035 0.000 3.100 540 T HA 0.354 4.704 4.350 -0.000 0.000 0.253 540 T C 0.395 175.085 174.700 -0.016 0.000 1.118 540 T CA 0.856 62.941 62.100 -0.025 0.000 1.058 540 T CB 0.883 69.738 68.868 -0.022 0.000 0.953 540 T HN 0.265 nan 8.240 nan 0.000 0.515 541 D N 1.395 121.786 120.400 -0.015 0.000 2.780 541 D HA 0.293 4.933 4.640 -0.000 0.000 0.242 541 D C -1.477 174.817 176.300 -0.009 0.000 1.135 541 D CA -0.497 53.498 54.000 -0.009 0.000 0.859 541 D CB 2.317 43.114 40.800 -0.004 0.000 1.530 541 D HN 0.112 nan 8.370 nan 0.000 0.493 542 D N 2.344 122.740 120.400 -0.007 0.000 2.417 542 D HA -0.060 4.580 4.640 -0.000 0.000 0.250 542 D C 1.316 177.615 176.300 -0.002 0.000 1.166 542 D CA -0.260 53.736 54.000 -0.006 0.000 0.881 542 D CB 0.682 41.480 40.800 -0.003 0.000 1.164 542 D HN 0.255 nan 8.370 nan 0.000 0.467 543 I N 4.639 125.208 120.570 -0.001 0.000 2.286 543 I HA -0.164 4.006 4.170 -0.000 0.000 0.248 543 I C 1.940 178.063 176.117 0.011 0.000 1.115 543 I CA 1.805 63.109 61.300 0.007 0.000 1.392 543 I CB -0.504 37.501 38.000 0.009 0.000 1.065 543 I HN 0.557 nan 8.210 nan 0.000 0.418 544 A N -0.198 122.628 122.820 0.010 0.000 1.902 544 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 544 A C 2.024 179.612 177.584 0.006 0.000 1.181 544 A CA 2.060 54.103 52.037 0.011 0.000 0.623 544 A CB -0.836 18.170 19.000 0.011 0.000 0.818 544 A HN 0.485 nan 8.150 nan 0.000 0.443 545 D N -0.414 119.988 120.400 0.004 0.000 2.149 545 D HA -0.063 4.577 4.640 -0.000 0.000 0.201 545 D C 2.094 178.394 176.300 0.001 0.000 0.972 545 D CA 1.238 55.239 54.000 0.001 0.000 0.835 545 D CB -0.257 40.543 40.800 0.000 0.000 0.966 545 D HN 0.234 nan 8.370 nan 0.000 0.476 546 V N 1.258 121.173 119.914 0.002 0.000 2.307 546 V HA -0.198 3.921 4.120 -0.000 0.000 0.245 546 V C 2.559 178.651 176.094 -0.003 0.000 1.045 546 V CA 1.021 63.322 62.300 0.001 0.000 1.024 546 V CB -0.334 31.492 31.823 0.005 0.000 0.651 546 V HN 0.145 nan 8.190 nan 0.000 0.449 547 I N -0.087 120.484 120.570 0.001 0.000 2.118 547 I HA -0.339 3.831 4.170 -0.000 0.000 0.241 547 I C 2.707 178.823 176.117 -0.003 0.000 1.070 547 I CA 1.977 63.275 61.300 -0.003 0.000 1.327 547 I CB -0.458 37.549 38.000 0.011 0.000 1.034 547 I HN 0.348 nan 8.210 nan 0.000 0.405 548 Q N 1.250 121.050 119.800 0.001 0.000 2.133 548 Q HA -0.246 4.094 4.340 -0.000 0.000 0.208 548 Q C 2.070 178.071 176.000 0.001 0.000 0.991 548 Q CA 2.662 58.465 55.803 0.000 0.000 0.867 548 Q CB -0.407 28.331 28.738 -0.002 0.000 0.911 548 Q HN 0.543 nan 8.270 nan 0.000 0.417 549 A N -0.646 122.173 122.820 -0.002 0.000 1.970 549 A HA -0.004 4.316 4.320 -0.000 0.000 0.216 549 A C 2.016 179.597 177.584 -0.005 0.000 1.170 549 A CA 1.506 53.542 52.037 -0.002 0.000 0.645 549 A CB -0.461 18.537 19.000 -0.002 0.000 0.816 549 A HN 0.506 nan 8.150 nan 0.000 0.447 550 V N -3.802 116.103 119.914 -0.015 0.000 3.307 550 V HA 0.075 4.195 4.120 -0.000 0.000 0.253 550 V C 1.666 177.732 176.094 -0.047 0.000 1.149 550 V CA 1.024 63.304 62.300 -0.034 0.000 1.112 550 V CB -0.346 31.447 31.823 -0.051 0.000 0.777 550 V HN 0.330 nan 8.190 nan 0.000 0.464 551 E N 1.649 121.836 120.200 -0.022 0.000 2.086 551 E HA -0.173 4.177 4.350 -0.000 0.000 0.200 551 E C 0.182 176.860 176.600 0.129 0.000 1.012 551 E CA 2.453 58.865 56.400 0.019 0.000 0.812 551 E CB -1.687 28.071 29.700 0.096 0.000 0.743 551 E HN 0.548 nan 8.360 nan 0.000 0.453 552 P HA -0.131 nan 4.420 nan 0.000 0.215 552 P C 1.325 178.691 177.300 0.111 0.000 1.153 552 P CA 1.274 64.455 63.100 0.134 0.000 0.853 552 P CB -0.049 31.686 31.700 0.059 0.000 0.788 553 R N -0.736 119.788 120.500 0.041 0.000 2.115 553 R HA 0.017 4.357 4.340 -0.000 0.000 0.230 553 R C 2.305 178.593 176.300 -0.020 0.000 1.111 553 R CA 0.961 57.069 56.100 0.013 0.000 0.976 553 R CB -1.325 28.971 30.300 -0.008 0.000 0.870 553 R HN 0.326 nan 8.270 nan 0.000 0.445 554 L N -1.517 119.642 121.223 -0.106 0.000 2.027 554 L HA -0.125 4.215 4.340 -0.000 0.000 0.206 554 L C 2.319 179.080 176.870 -0.181 0.000 1.074 554 L CA 1.345 56.017 54.840 -0.279 0.000 0.745 554 L CB -0.579 41.104 42.059 -0.627 0.000 0.898 554 L HN 0.163 nan 8.230 nan 0.000 0.433 555 W N 0.442 121.693 121.300 -0.080 0.000 2.363 555 W HA -0.190 4.470 4.660 -0.000 0.000 0.296 555 W C 2.491 179.002 176.519 -0.014 0.000 1.212 555 W CA 1.077 58.403 57.345 -0.033 0.000 1.260 555 W CB -0.431 29.009 29.460 -0.032 0.000 1.131 555 W HN 0.190 nan 8.180 nan 0.000 0.530 556 N N -0.049 118.772 118.700 0.201 0.000 2.381 556 N HA -0.118 4.622 4.740 -0.000 0.000 0.182 556 N C 1.595 177.157 175.510 0.087 0.000 1.025 556 N CA 1.099 54.223 53.050 0.124 0.000 0.888 556 N CB -0.321 38.215 38.487 0.083 0.000 0.965 556 N HN 0.076 nan 8.380 nan 0.000 0.438 557 M N -0.261 119.381 119.600 0.070 0.000 2.374 557 M HA 0.033 4.513 4.480 -0.000 0.000 0.264 557 M C 0.636 176.976 176.300 0.067 0.000 1.067 557 M CA 0.815 56.150 55.300 0.058 0.000 1.103 557 M CB -0.108 32.523 32.600 0.053 0.000 1.402 557 M HN 0.207 nan 8.290 nan 0.000 0.444 558 A N 1.003 123.877 122.820 0.090 0.000 2.687 558 A HA -0.195 4.124 4.320 -0.000 0.000 0.299 558 A C 1.076 178.700 177.584 0.067 0.000 1.497 558 A CA 1.155 53.250 52.037 0.097 0.000 0.751 558 A CB -2.361 16.689 19.000 0.084 0.000 1.048 558 A HN 0.668 nan 8.150 nan 0.000 0.464 559 T N -4.340 110.248 114.554 0.057 0.000 2.964 559 T HA 0.486 4.835 4.350 -0.000 0.000 0.249 559 T C 0.343 175.057 174.700 0.024 0.000 1.000 559 T CA 0.583 62.706 62.100 0.040 0.000 0.992 559 T CB 0.410 69.306 68.868 0.046 0.000 1.087 559 T HN 1.005 nan 8.240 nan 0.000 0.489 560 V N 2.401 122.323 119.914 0.014 0.000 2.444 560 V HA 0.659 4.779 4.120 -0.000 0.000 0.294 560 V C -1.234 174.828 176.094 -0.052 0.000 1.022 560 V CA -0.993 61.294 62.300 -0.022 0.000 0.850 560 V CB 1.787 33.614 31.823 0.007 0.000 0.992 560 V HN 0.394 nan 8.190 nan 0.000 0.426 561 L N 8.736 129.958 121.223 -0.001 0.000 2.337 561 L HA 0.654 4.994 4.340 -0.000 0.000 0.269 561 L C -2.591 174.302 176.870 0.039 0.000 1.018 561 L CA -1.776 53.103 54.840 0.065 0.000 0.876 561 L CB 1.485 43.599 42.059 0.092 0.000 1.236 561 L HN 0.374 nan 8.230 nan 0.000 0.436 562 P HA 0.237 nan 4.420 nan 0.000 0.268 562 P C 0.281 177.632 177.300 0.085 0.000 1.205 562 P CA 0.212 63.347 63.100 0.059 0.000 0.771 562 P CB 1.081 32.839 31.700 0.097 0.000 0.858 563 I N 2.042 122.629 120.570 0.029 0.000 3.341 563 I HA 0.222 4.392 4.170 -0.000 0.000 0.243 563 I C 0.753 176.891 176.117 0.035 0.000 1.094 563 I CA 0.335 61.643 61.300 0.014 0.000 1.507 563 I CB 0.052 38.015 38.000 -0.062 0.000 1.441 563 I HN 0.225 nan 8.210 nan 0.000 0.465 564 L N -0.984 120.254 121.223 0.025 0.000 2.540 564 L HA 0.564 4.904 4.340 -0.000 0.000 0.256 564 L C -1.237 175.704 176.870 0.118 0.000 1.001 564 L CA -0.778 54.102 54.840 0.068 0.000 0.843 564 L CB 2.039 44.142 42.059 0.073 0.000 1.436 564 L HN 0.062 nan 8.230 nan 0.000 0.410 565 Q N 1.304 121.168 119.800 0.107 0.000 2.241 565 Q HA 0.247 4.587 4.340 -0.000 0.000 0.254 565 Q C -1.024 175.081 176.000 0.174 0.000 0.917 565 Q CA -0.495 55.392 55.803 0.139 0.000 0.919 565 Q CB 1.698 30.456 28.738 0.033 0.000 1.237 565 Q HN 0.719 nan 8.270 nan 0.000 0.434 566 D N 1.905 122.450 120.400 0.242 0.000 2.389 566 D HA 0.131 4.770 4.640 -0.000 0.000 0.247 566 D C -0.851 175.490 176.300 0.069 0.000 1.128 566 D CA 0.442 54.560 54.000 0.196 0.000 0.884 566 D CB 0.855 41.688 40.800 0.054 0.000 1.194 566 D HN 0.559 nan 8.370 nan 0.000 0.441 567 T N -0.344 114.243 114.554 0.054 0.000 2.916 567 T HA 0.787 5.137 4.350 -0.000 0.000 0.292 567 T C -0.397 174.203 174.700 -0.166 0.000 1.055 567 T CA -0.856 61.220 62.100 -0.039 0.000 1.009 567 T CB 1.658 70.511 68.868 -0.024 0.000 1.118 567 T HN 0.378 nan 8.240 nan 0.000 0.497 568 T N -0.491 113.953 114.554 -0.184 0.000 2.909 568 T HA 0.667 5.017 4.350 -0.000 0.000 0.299 568 T C -0.357 174.289 174.700 -0.089 0.000 1.073 568 T CA -0.966 60.981 62.100 -0.255 0.000 0.999 568 T CB 0.854 69.546 68.868 -0.293 0.000 1.098 568 T HN 0.735 nan 8.240 nan 0.000 0.477 569 I N 2.519 123.069 120.570 -0.034 0.000 2.441 569 I HA 0.443 4.613 4.170 -0.000 0.000 0.287 569 I C 0.405 176.542 176.117 0.033 0.000 1.049 569 I CA -0.810 60.538 61.300 0.079 0.000 1.381 569 I CB 1.109 39.202 38.000 0.155 0.000 1.409 569 I HN 0.635 nan 8.210 nan 0.000 0.523 570 V N 3.169 123.114 119.914 0.051 0.000 2.715 570 V HA 1.007 5.127 4.120 -0.000 0.000 0.310 570 V C -0.254 175.831 176.094 -0.015 0.000 1.054 570 V CA -0.533 61.773 62.300 0.010 0.000 0.928 570 V CB 1.536 33.365 31.823 0.010 0.000 1.007 570 V HN 0.868 nan 8.190 nan 0.000 0.437 571 A N 2.518 125.303 122.820 -0.059 0.000 2.572 571 A HA 1.031 5.351 4.320 -0.000 0.000 0.295 571 A C -0.489 177.012 177.584 -0.138 0.000 1.072 571 A CA -0.294 51.684 52.037 -0.098 0.000 0.691 571 A CB 1.841 20.777 19.000 -0.106 0.000 1.291 571 A HN 2.478 nan 8.150 nan 0.000 0.404 572 A N 0.796 123.525 122.820 -0.152 0.000 2.375 572 A HA 0.768 5.088 4.320 -0.000 0.000 0.295 572 A C 0.257 177.744 177.584 -0.162 0.000 1.066 572 A CA 0.087 52.006 52.037 -0.196 0.000 0.722 572 A CB 0.978 19.842 19.000 -0.227 0.000 1.206 572 A HN 2.072 nan 8.150 nan 0.000 0.435 573 G N 1.737 110.439 108.800 -0.163 0.000 2.572 573 G HA2 0.518 4.478 3.960 -0.000 0.000 0.261 573 G HA3 0.518 4.478 3.960 -0.000 0.000 0.261 573 G C -1.158 173.669 174.900 -0.121 0.000 1.197 573 G CA -1.216 43.807 45.100 -0.128 0.000 0.870 573 G HN 0.457 nan 8.290 nan 0.000 0.548 574 P HA -0.073 nan 4.420 nan 0.000 0.230 574 P C 1.577 178.831 177.300 -0.076 0.000 1.158 574 P CA 1.217 64.269 63.100 -0.080 0.000 0.769 574 P CB 0.222 31.884 31.700 -0.063 0.000 0.807 575 S N -1.688 113.963 115.700 -0.082 0.000 2.603 575 S HA 0.100 4.569 4.470 -0.000 0.000 0.220 575 S C 0.693 175.244 174.600 -0.081 0.000 0.967 575 S CA -0.288 57.870 58.200 -0.070 0.000 0.920 575 S CB -0.672 62.489 63.200 -0.064 0.000 0.773 575 S HN 0.022 nan 8.310 nan 0.000 0.529 576 V N 1.854 121.699 119.914 -0.115 0.000 2.680 576 V HA 0.506 4.626 4.120 -0.000 0.000 0.309 576 V C -1.495 174.518 176.094 -0.134 0.000 1.052 576 V CA -0.753 61.462 62.300 -0.142 0.000 0.908 576 V CB 2.021 33.696 31.823 -0.247 0.000 1.001 576 V HN 0.384 nan 8.190 nan 0.000 0.431 577 Q N 3.841 123.587 119.800 -0.089 0.000 2.257 577 Q HA 0.526 4.866 4.340 -0.000 0.000 0.262 577 Q C -0.010 175.972 176.000 -0.030 0.000 0.997 577 Q CA -0.615 55.157 55.803 -0.051 0.000 0.873 577 Q CB 1.277 30.012 28.738 -0.006 0.000 1.312 577 Q HN 0.864 nan 8.270 nan 0.000 0.450 578 N N -0.968 117.731 118.700 -0.002 0.000 2.776 578 N HA -0.134 4.606 4.740 -0.000 0.000 0.250 578 N C -0.924 174.642 175.510 0.092 0.000 1.112 578 N CA 0.526 53.622 53.050 0.078 0.000 0.733 578 N CB -1.590 36.995 38.487 0.163 0.000 1.097 578 N HN 0.282 nan 8.380 nan 0.000 0.558 579 V N 1.494 121.332 119.914 -0.125 0.000 2.288 579 V HA 0.260 4.380 4.120 -0.000 0.000 0.266 579 V C 0.696 176.745 176.094 -0.076 0.000 1.048 579 V CA -0.605 61.555 62.300 -0.234 0.000 0.842 579 V CB 1.200 32.631 31.823 -0.653 0.000 1.064 579 V HN 0.368 nan 8.190 nan 0.000 0.472 580 S N 5.507 121.233 115.700 0.045 0.000 2.465 580 S HA 0.460 4.930 4.470 -0.000 0.000 0.279 580 S C 0.189 174.811 174.600 0.037 0.000 1.201 580 S CA -0.608 57.612 58.200 0.034 0.000 1.053 580 S CB 0.692 63.926 63.200 0.057 0.000 0.953 580 S HN 0.560 nan 8.310 nan 0.000 0.488 581 L N 3.160 124.385 121.223 0.004 0.000 2.855 581 L HA 0.227 4.566 4.340 -0.000 0.000 0.245 581 L C 1.032 177.917 176.870 0.025 0.000 1.276 581 L CA -0.109 54.736 54.840 0.009 0.000 1.118 581 L CB -0.790 41.261 42.059 -0.013 0.000 1.444 581 L HN 0.824 nan 8.230 nan 0.000 0.440 582 T N -0.828 113.746 114.554 0.034 0.000 2.906 582 T HA 0.832 5.181 4.350 -0.000 0.000 0.295 582 T C -0.339 174.378 174.700 0.028 0.000 1.061 582 T CA -0.158 61.957 62.100 0.025 0.000 1.000 582 T CB 2.113 70.991 68.868 0.017 0.000 1.103 582 T HN 0.351 nan 8.240 nan 0.000 0.486 583 G N 0.971 109.777 108.800 0.009 0.000 2.328 583 G HA2 0.609 4.569 3.960 -0.000 0.000 0.295 583 G HA3 0.609 4.569 3.960 -0.000 0.000 0.295 583 G C -0.850 174.031 174.900 -0.032 0.000 1.413 583 G CA -0.176 44.921 45.100 -0.006 0.000 0.817 583 G HN 1.003 nan 8.290 nan 0.000 0.546 584 A N -0.364 122.416 122.820 -0.066 0.000 2.445 584 A HA 0.548 4.868 4.320 -0.000 0.000 0.242 584 A C 1.761 179.305 177.584 -0.068 0.000 1.075 584 A CA 0.444 52.422 52.037 -0.099 0.000 0.777 584 A CB 0.600 19.480 19.000 -0.199 0.000 1.013 584 A HN 1.496 nan 8.150 nan 0.000 0.493 585 V N 2.577 122.460 119.914 -0.052 0.000 2.278 585 V HA -0.203 3.917 4.120 -0.000 0.000 0.251 585 V C -0.394 175.696 176.094 -0.007 0.000 1.062 585 V CA 2.773 65.061 62.300 -0.021 0.000 1.038 585 V CB -1.625 30.196 31.823 -0.003 0.000 0.646 585 V HN 0.836 nan 8.190 nan 0.000 0.447 586 P HA -0.071 nan 4.420 nan 0.000 0.220 586 P C 1.607 178.922 177.300 0.024 0.000 1.148 586 P CA 1.154 64.283 63.100 0.048 0.000 0.803 586 P CB 0.036 31.805 31.700 0.115 0.000 0.782 587 V N -2.480 117.425 119.914 -0.014 0.000 2.690 587 V HA 0.340 4.460 4.120 -0.000 0.000 0.240 587 V C 1.593 177.693 176.094 0.010 0.000 1.078 587 V CA 1.407 63.705 62.300 -0.002 0.000 1.102 587 V CB -0.932 30.878 31.823 -0.021 0.000 0.800 587 V HN 0.333 nan 8.190 nan 0.000 0.479 588 G N 1.394 110.197 108.800 0.006 0.000 2.578 588 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.232 588 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.232 588 G C 0.409 175.338 174.900 0.049 0.000 1.176 588 G CA 0.154 45.267 45.100 0.023 0.000 0.968 588 G HN 0.907 nan 8.290 nan 0.000 0.583 589 I N -0.449 120.176 120.570 0.093 0.000 4.025 589 I HA 0.483 4.652 4.170 -0.000 0.000 0.336 589 I C 1.685 177.957 176.117 0.258 0.000 1.390 589 I CA 0.744 62.133 61.300 0.148 0.000 1.099 589 I CB 0.711 38.791 38.000 0.134 0.000 1.049 589 I HN 0.850 nan 8.210 nan 0.000 0.394 590 V N -1.984 118.034 119.914 0.173 0.000 3.647 590 V HA 0.476 4.596 4.120 -0.000 0.000 0.279 590 V C 2.047 178.113 176.094 -0.047 0.000 1.314 590 V CA 0.723 63.073 62.300 0.083 0.000 1.125 590 V CB -0.627 31.224 31.823 0.048 0.000 0.907 590 V HN 0.310 nan 8.190 nan 0.000 0.434 591 G N 2.287 111.098 108.800 0.020 0.000 2.475 591 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.220 591 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.220 591 G C 0.986 175.866 174.900 -0.034 0.000 1.125 591 G CA 1.288 46.384 45.100 -0.007 0.000 0.755 591 G HN 0.788 nan 8.290 nan 0.000 0.565 592 D N -0.070 120.325 120.400 -0.008 0.000 2.424 592 D HA 0.429 5.069 4.640 -0.000 0.000 0.220 592 D C 1.908 178.033 176.300 -0.292 0.000 1.150 592 D CA 0.411 54.402 54.000 -0.015 0.000 0.831 592 D CB -0.137 40.748 40.800 0.142 0.000 0.981 592 D HN 0.198 nan 8.370 nan 0.000 0.500 593 A N 0.926 123.306 122.820 -0.733 0.000 2.024 593 A HA 0.007 4.326 4.320 -0.000 0.000 0.220 593 A C 2.245 179.418 177.584 -0.686 0.000 1.164 593 A CA 1.571 52.595 52.037 -1.688 0.000 0.643 593 A CB -1.187 16.922 19.000 -1.486 0.000 0.806 593 A HN 0.380 nan 8.150 nan 0.000 0.451 594 G N -0.921 107.742 108.800 -0.229 0.000 2.509 594 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.218 594 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.218 594 G C 0.889 175.757 174.900 -0.054 0.000 1.124 594 G CA 1.025 46.068 45.100 -0.095 0.000 0.776 594 G HN 0.541 nan 8.290 nan 0.000 0.547 595 D N -0.904 119.482 120.400 -0.024 0.000 2.379 595 D HA 0.035 4.675 4.640 -0.000 0.000 0.208 595 D C 0.102 176.545 176.300 0.239 0.000 1.065 595 D CA -0.399 53.657 54.000 0.094 0.000 0.848 595 D CB 0.177 41.040 40.800 0.106 0.000 0.949 595 D HN 0.185 nan 8.370 nan 0.000 0.509 596 W N 3.218 124.541 121.300 0.039 0.000 2.322 596 W HA 0.162 4.822 4.660 -0.000 0.000 0.328 596 W C 1.103 177.631 176.519 0.016 0.000 1.395 596 W CA -0.526 56.830 57.345 0.018 0.000 1.267 596 W CB -0.353 29.111 29.460 0.005 0.000 1.259 596 W HN -0.228 nan 8.180 nan 0.000 0.560 597 T N 0.669 115.341 114.554 0.197 0.000 2.906 597 T HA 0.737 5.087 4.350 -0.000 0.000 0.295 597 T C -0.250 174.480 174.700 0.050 0.000 1.075 597 T CA -1.235 60.929 62.100 0.107 0.000 1.005 597 T CB 2.797 71.708 68.868 0.072 0.000 1.136 597 T HN 0.402 nan 8.240 nan 0.000 0.498 598 K N 0.137 120.556 120.400 0.032 0.000 2.354 598 K HA 0.749 5.069 4.320 -0.000 0.000 0.238 598 K C -0.117 176.479 176.600 -0.008 0.000 1.068 598 K CA -0.368 55.918 56.287 -0.002 0.000 0.925 598 K CB 0.628 33.124 32.500 -0.006 0.000 1.286 598 K HN 1.355 nan 8.250 nan 0.000 0.500 599 T N 0.000 114.543 114.554 -0.019 0.000 3.816 599 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 599 T CA 0.000 62.088 62.100 -0.019 0.000 1.349 599 T CB 0.000 68.862 68.868 -0.011 0.000 0.612 599 T HN 0.000 nan 8.240 nan 0.000 0.658