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 1ott_1_B DATA FIRST_RESID 18 DATA SEQUENCE RRQLIRQLLE RDKTPLAILF MAAVVGTLVG LAAVAFDKGV AWLQNQRMGA DATA SEQUENCE LVHTADNYPL LLTVAFLCSA VLAMFGYFLV RKYAPEAGGS GIPEIEGALE DATA SEQUENCE DQRPVRWWRV LPVKFFGGLG TLGGGMVLGR AGPTVQIGGN IGRMVLDIFR DATA SEQUENCE LKGDEARHTL LATGAAAGLA AAFNAPLAGI LFIIEEMRPQ FRYTLISIKA DATA SEQUENCE VFIGVIMSTI MYRIFNHEVA LIDVGKLSDA PLNTLWLYLI LGIIFGIFGP DATA SEQUENCE IFNKWVLGMQ DLLHRVHGGN ITKWVLMGGA IGGLCGLLGF VAPATSGGGF DATA SEQUENCE NLIPIATAGN FSMGMLVFIF VARVITTLLC FSSGAPGGIF APMLALGTVL DATA SEQUENCE GTAFGMVAVE LFPQYHLEAG TFAIAGMGAL LAASIRAPLT GIILVLEMTD DATA SEQUENCE NYQLILPMII TGLGATLLAQ FTGGKPLYSA ILARTLAKQE A 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 18 R HA 0.000 nan 4.340 nan 0.000 0.208 18 R C 0.000 176.294 176.300 -0.010 0.000 0.893 18 R CA 0.000 56.094 56.100 -0.010 0.000 0.921 18 R CB 0.000 30.296 30.300 -0.007 0.000 0.687 19 R N 2.026 122.520 120.500 -0.010 0.000 2.103 19 R HA -0.131 4.207 4.340 -0.003 0.000 0.242 19 R C 2.080 178.373 176.300 -0.012 0.000 1.142 19 R CA 2.606 58.700 56.100 -0.010 0.000 0.960 19 R CB -0.489 29.805 30.300 -0.009 0.000 0.858 19 R HN 0.484 nan 8.270 nan 0.000 0.439 20 Q N -0.075 119.715 119.800 -0.015 0.000 2.002 20 Q HA -0.204 4.134 4.340 -0.003 0.000 0.204 20 Q C 2.098 178.085 176.000 -0.022 0.000 0.988 20 Q CA 2.028 57.819 55.803 -0.020 0.000 0.843 20 Q CB -0.384 28.339 28.738 -0.026 0.000 0.908 20 Q HN 0.500 nan 8.270 nan 0.000 0.420 21 L N 0.627 121.837 121.223 -0.022 0.000 1.963 21 L HA -0.280 4.058 4.340 -0.003 0.000 0.220 21 L C 2.509 179.370 176.870 -0.016 0.000 1.076 21 L CA 1.886 56.714 54.840 -0.021 0.000 0.772 21 L CB -0.493 41.556 42.059 -0.017 0.000 0.892 21 L HN 0.447 nan 8.230 nan 0.000 0.435 22 I N -0.598 119.964 120.570 -0.012 0.000 2.367 22 I HA -0.390 3.778 4.170 -0.003 0.000 0.256 22 I C 2.539 178.650 176.117 -0.010 0.000 1.132 22 I CA 1.403 62.698 61.300 -0.009 0.000 1.397 22 I CB -0.395 37.600 38.000 -0.008 0.000 1.074 22 I HN 0.348 nan 8.210 nan 0.000 0.435 23 R N -0.241 120.252 120.500 -0.012 0.000 2.210 23 R HA -0.004 4.334 4.340 -0.003 0.000 0.203 23 R C 2.167 178.460 176.300 -0.012 0.000 1.010 23 R CA 0.417 56.510 56.100 -0.011 0.000 1.008 23 R CB 0.071 30.363 30.300 -0.012 0.000 0.923 23 R HN 0.488 nan 8.270 nan 0.000 0.469 24 Q N 0.371 120.161 119.800 -0.016 0.000 2.123 24 Q HA -0.009 4.329 4.340 -0.003 0.000 0.196 24 Q C 2.119 178.113 176.000 -0.009 0.000 0.958 24 Q CA 0.836 56.629 55.803 -0.018 0.000 0.841 24 Q CB 0.129 28.849 28.738 -0.031 0.000 0.915 24 Q HN 0.263 nan 8.270 nan 0.000 0.455 25 L N 0.663 121.882 121.223 -0.008 0.000 1.956 25 L HA -0.254 4.084 4.340 -0.003 0.000 0.216 25 L C 2.228 179.096 176.870 -0.003 0.000 1.073 25 L CA 1.310 56.148 54.840 -0.003 0.000 0.762 25 L CB -0.582 41.475 42.059 -0.004 0.000 0.889 25 L HN 0.274 nan 8.230 nan 0.000 0.433 26 L N -0.499 120.722 121.223 -0.005 0.000 2.551 26 L HA -0.177 4.162 4.340 -0.003 0.000 0.230 26 L C 1.722 178.589 176.870 -0.004 0.000 1.163 26 L CA 0.601 55.438 54.840 -0.005 0.000 0.826 26 L CB -0.397 41.658 42.059 -0.006 0.000 0.943 26 L HN 0.330 nan 8.230 nan 0.000 0.452 27 E N -0.529 119.669 120.200 -0.003 0.000 2.526 27 E HA 0.154 4.502 4.350 -0.003 0.000 0.208 27 E C 0.401 177.004 176.600 0.005 0.000 0.997 27 E CA -0.077 56.323 56.400 -0.001 0.000 0.961 27 E CB 0.363 30.062 29.700 -0.002 0.000 1.030 27 E HN 0.374 nan 8.360 nan 0.000 0.483 28 R N 1.598 122.101 120.500 0.006 0.000 2.734 28 R HA -0.037 4.301 4.340 -0.003 0.000 0.266 28 R C -0.031 176.273 176.300 0.007 0.000 1.044 28 R CA 0.113 56.220 56.100 0.012 0.000 1.128 28 R CB 0.129 30.436 30.300 0.011 0.000 1.010 28 R HN -0.091 nan 8.270 nan 0.000 0.461 29 D N 1.493 121.900 120.400 0.011 0.000 2.904 29 D HA -0.169 4.469 4.640 -0.003 0.000 0.231 29 D C -1.142 175.157 176.300 -0.000 0.000 1.185 29 D CA 1.246 55.248 54.000 0.002 0.000 0.783 29 D CB -0.376 40.416 40.800 -0.013 0.000 0.961 29 D HN 0.423 nan 8.370 nan 0.000 0.409 30 K N 1.271 121.676 120.400 0.008 0.000 2.920 30 K HA 0.207 4.525 4.320 -0.003 0.000 0.175 30 K C -0.587 176.020 176.600 0.011 0.000 1.099 30 K CA -0.551 55.740 56.287 0.006 0.000 0.939 30 K CB 0.998 33.501 32.500 0.005 0.000 1.148 30 K HN 0.052 nan 8.250 nan 0.000 0.613 31 T N 2.549 117.110 114.554 0.011 0.000 2.761 31 T HA 0.184 4.532 4.350 -0.003 0.000 0.296 31 T C -2.357 172.353 174.700 0.018 0.000 0.934 31 T CA -1.506 60.605 62.100 0.018 0.000 1.091 31 T CB 0.602 69.481 68.868 0.018 0.000 0.896 31 T HN 0.093 nan 8.240 nan 0.000 0.515 32 P HA -0.016 nan 4.420 nan 0.000 0.257 32 P C 1.079 178.395 177.300 0.027 0.000 1.162 32 P CA -0.015 63.096 63.100 0.019 0.000 0.762 32 P CB 0.310 32.021 31.700 0.019 0.000 0.753 33 L N 4.077 125.312 121.223 0.021 0.000 2.197 33 L HA -0.300 4.038 4.340 -0.003 0.000 0.215 33 L C 1.899 178.804 176.870 0.058 0.000 1.095 33 L CA 2.146 57.006 54.840 0.033 0.000 0.764 33 L CB -0.402 41.662 42.059 0.009 0.000 0.897 33 L HN 0.406 nan 8.230 nan 0.000 0.436 34 A N -0.054 122.787 122.820 0.035 0.000 1.930 34 A HA -0.142 4.176 4.320 -0.003 0.000 0.217 34 A C 2.141 179.779 177.584 0.090 0.000 1.175 34 A CA 1.661 53.725 52.037 0.044 0.000 0.627 34 A CB -0.634 18.372 19.000 0.010 0.000 0.815 34 A HN 0.503 nan 8.150 nan 0.000 0.443 35 I N -0.127 120.483 120.570 0.066 0.000 2.090 35 I HA -0.291 3.878 4.170 -0.003 0.000 0.236 35 I C 2.450 178.608 176.117 0.068 0.000 1.064 35 I CA 1.422 62.760 61.300 0.063 0.000 1.324 35 I CB -0.410 37.617 38.000 0.045 0.000 1.044 35 I HN 0.326 nan 8.210 nan 0.000 0.399 36 L N -0.207 121.056 121.223 0.066 0.000 1.978 36 L HA -0.312 4.026 4.340 -0.003 0.000 0.218 36 L C 2.620 179.523 176.870 0.054 0.000 1.075 36 L CA 1.739 56.612 54.840 0.056 0.000 0.767 36 L CB -0.957 41.136 42.059 0.057 0.000 0.890 36 L HN 0.219 nan 8.230 nan 0.000 0.434 37 F N -0.121 119.814 119.950 -0.026 0.000 2.287 37 F HA -0.264 4.261 4.527 -0.003 0.000 0.301 37 F C 2.376 178.148 175.800 -0.048 0.000 1.069 37 F CA 1.349 59.324 58.000 -0.042 0.000 1.372 37 F CB 0.011 38.971 39.000 -0.066 0.000 1.056 37 F HN 0.038 nan 8.300 nan 0.000 0.523 38 M N -0.379 119.219 119.600 -0.003 0.000 2.334 38 M HA 0.118 4.597 4.480 -0.003 0.000 0.266 38 M C 2.492 178.746 176.300 -0.076 0.000 1.082 38 M CA 1.151 56.426 55.300 -0.042 0.000 1.141 38 M CB -1.769 30.877 32.600 0.077 0.000 1.380 38 M HN 0.233 nan 8.290 nan 0.000 0.440 39 A N 0.348 123.136 122.820 -0.054 0.000 2.019 39 A HA 0.058 4.377 4.320 -0.003 0.000 0.219 39 A C 2.397 179.929 177.584 -0.086 0.000 1.164 39 A CA 1.760 53.771 52.037 -0.043 0.000 0.644 39 A CB -0.673 18.322 19.000 -0.008 0.000 0.805 39 A HN 0.438 nan 8.150 nan 0.000 0.449 40 A N -0.373 122.346 122.820 -0.168 0.000 1.873 40 A HA 0.016 4.335 4.320 -0.003 0.000 0.215 40 A C 2.183 179.644 177.584 -0.205 0.000 1.186 40 A CA 1.761 53.672 52.037 -0.209 0.000 0.616 40 A CB -0.884 17.903 19.000 -0.355 0.000 0.823 40 A HN 0.436 nan 8.150 nan 0.000 0.442 41 V N -0.278 119.480 119.914 -0.259 0.000 2.358 41 V HA -0.206 3.913 4.120 -0.003 0.000 0.246 41 V C 2.507 178.554 176.094 -0.078 0.000 1.047 41 V CA 1.736 63.941 62.300 -0.159 0.000 1.035 41 V CB -1.073 30.683 31.823 -0.113 0.000 0.658 41 V HN 0.341 nan 8.190 nan 0.000 0.452 42 V N 1.431 121.305 119.914 -0.066 0.000 2.214 42 V HA -0.231 3.887 4.120 -0.003 0.000 0.245 42 V C 2.774 178.837 176.094 -0.052 0.000 1.047 42 V CA 2.537 64.806 62.300 -0.052 0.000 0.998 42 V CB -1.716 30.082 31.823 -0.041 0.000 0.633 42 V HN 0.565 nan 8.190 nan 0.000 0.446 43 G N -0.626 108.146 108.800 -0.047 0.000 2.556 43 G HA2 -0.332 3.626 3.960 -0.003 0.000 0.220 43 G HA3 -0.332 3.626 3.960 -0.003 0.000 0.220 43 G C 1.649 176.535 174.900 -0.024 0.000 1.156 43 G CA 1.939 47.020 45.100 -0.032 0.000 0.766 43 G HN 0.491 nan 8.290 nan 0.000 0.583 44 T N 1.205 115.738 114.554 -0.035 0.000 2.607 44 T HA -0.147 4.201 4.350 -0.003 0.000 0.267 44 T C 2.360 177.048 174.700 -0.019 0.000 1.049 44 T CA 1.391 63.480 62.100 -0.018 0.000 1.162 44 T CB -0.336 68.511 68.868 -0.035 0.000 0.863 44 T HN 0.065 nan 8.240 nan 0.000 0.424 45 L N 0.728 121.927 121.223 -0.039 0.000 1.989 45 L HA -0.099 4.239 4.340 -0.003 0.000 0.211 45 L C 2.722 179.554 176.870 -0.064 0.000 1.071 45 L CA 1.316 56.121 54.840 -0.057 0.000 0.749 45 L CB -1.247 40.769 42.059 -0.072 0.000 0.890 45 L HN 0.109 nan 8.230 nan 0.000 0.431 46 V N -0.007 119.872 119.914 -0.057 0.000 2.250 46 V HA -0.368 3.751 4.120 -0.003 0.000 0.253 46 V C 2.514 178.594 176.094 -0.023 0.000 1.065 46 V CA 2.150 64.420 62.300 -0.050 0.000 1.039 46 V CB -1.566 30.235 31.823 -0.037 0.000 0.647 46 V HN 0.637 nan 8.190 nan 0.000 0.446 47 G N 0.094 108.895 108.800 0.002 0.000 2.587 47 G HA2 -0.250 3.709 3.960 -0.003 0.000 0.217 47 G HA3 -0.250 3.709 3.960 -0.003 0.000 0.217 47 G C 1.384 176.286 174.900 0.004 0.000 1.240 47 G CA 1.220 46.346 45.100 0.043 0.000 0.794 47 G HN 0.346 nan 8.290 nan 0.000 0.580 48 L N 1.419 122.618 121.223 -0.041 0.000 2.064 48 L HA -0.218 4.120 4.340 -0.003 0.000 0.216 48 L C 3.351 180.138 176.870 -0.138 0.000 1.077 48 L CA 2.202 56.959 54.840 -0.139 0.000 0.766 48 L CB -1.795 40.195 42.059 -0.115 0.000 0.890 48 L HN 0.380 nan 8.230 nan 0.000 0.435 49 A N 0.054 122.807 122.820 -0.111 0.000 1.841 49 A HA -0.169 4.149 4.320 -0.003 0.000 0.216 49 A C 2.587 180.174 177.584 0.005 0.000 1.199 49 A CA 2.394 54.352 52.037 -0.133 0.000 0.621 49 A CB -1.010 17.890 19.000 -0.167 0.000 0.835 49 A HN 0.407 nan 8.150 nan 0.000 0.445 50 A N -0.758 122.089 122.820 0.045 0.000 1.940 50 A HA -0.147 4.171 4.320 -0.003 0.000 0.221 50 A C 2.266 179.979 177.584 0.215 0.000 1.190 50 A CA 2.417 54.547 52.037 0.156 0.000 0.647 50 A CB -1.203 17.881 19.000 0.139 0.000 0.821 50 A HN 0.509 nan 8.150 nan 0.000 0.457 51 V N -0.463 119.515 119.914 0.106 0.000 2.229 51 V HA -0.214 3.904 4.120 -0.003 0.000 0.243 51 V C 3.068 179.190 176.094 0.047 0.000 1.042 51 V CA 2.015 64.342 62.300 0.045 0.000 1.000 51 V CB -1.509 30.194 31.823 -0.200 0.000 0.637 51 V HN 0.661 nan 8.190 nan 0.000 0.446 52 A N -0.262 122.560 122.820 0.004 0.000 1.927 52 A HA -0.316 4.002 4.320 -0.003 0.000 0.220 52 A C 2.121 179.855 177.584 0.250 0.000 1.185 52 A CA 2.519 54.602 52.037 0.077 0.000 0.639 52 A CB -0.847 18.174 19.000 0.035 0.000 0.820 52 A HN 0.521 nan 8.150 nan 0.000 0.451 53 F N 1.111 121.199 119.950 0.230 0.000 2.026 53 F HA -0.206 4.319 4.527 -0.003 0.000 0.296 53 F C 1.992 177.827 175.800 0.058 0.000 1.133 53 F CA 2.266 60.384 58.000 0.198 0.000 1.188 53 F CB -0.909 38.222 39.000 0.219 0.000 0.968 53 F HN 0.403 nan 8.300 nan 0.000 0.476 54 D N 0.025 120.467 120.400 0.070 0.000 2.149 54 D HA -0.231 4.407 4.640 -0.003 0.000 0.194 54 D C 2.059 178.332 176.300 -0.044 0.000 1.001 54 D CA 1.853 55.840 54.000 -0.021 0.000 0.849 54 D CB -0.094 40.790 40.800 0.140 0.000 0.939 54 D HN 0.134 nan 8.370 nan 0.000 0.449 55 K N -0.095 120.309 120.400 0.006 0.000 2.001 55 K HA -0.017 4.301 4.320 -0.003 0.000 0.208 55 K C 2.319 178.931 176.600 0.021 0.000 1.048 55 K CA 1.267 57.569 56.287 0.025 0.000 0.932 55 K CB -1.101 31.416 32.500 0.030 0.000 0.715 55 K HN 0.317 nan 8.250 nan 0.000 0.437 56 G N 1.539 110.312 108.800 -0.045 0.000 2.491 56 G HA2 -0.241 3.717 3.960 -0.003 0.000 0.218 56 G HA3 -0.241 3.717 3.960 -0.003 0.000 0.218 56 G C 1.764 176.607 174.900 -0.095 0.000 1.180 56 G CA 1.258 46.296 45.100 -0.104 0.000 0.774 56 G HN 0.111 nan 8.290 nan 0.000 0.562 57 V N 1.869 121.632 119.914 -0.251 0.000 2.231 57 V HA -0.255 3.863 4.120 -0.003 0.000 0.250 57 V C 3.351 179.407 176.094 -0.063 0.000 1.058 57 V CA 2.452 64.605 62.300 -0.246 0.000 1.022 57 V CB -1.288 30.296 31.823 -0.397 0.000 0.640 57 V HN 0.549 nan 8.190 nan 0.000 0.445 58 A N -0.798 122.004 122.820 -0.029 0.000 1.852 58 A HA -0.357 3.962 4.320 -0.003 0.000 0.217 58 A C 1.974 179.616 177.584 0.098 0.000 1.215 58 A CA 2.502 54.555 52.037 0.027 0.000 0.641 58 A CB -1.444 17.576 19.000 0.034 0.000 0.838 58 A HN 0.741 nan 8.150 nan 0.000 0.450 59 W N 0.397 121.655 121.300 -0.069 0.000 2.255 59 W HA -0.327 4.331 4.660 -0.003 0.000 0.318 59 W C 1.836 178.319 176.519 -0.060 0.000 1.277 59 W CA 2.454 59.766 57.345 -0.055 0.000 1.286 59 W CB -0.279 29.149 29.460 -0.053 0.000 1.132 59 W HN 0.347 nan 8.180 nan 0.000 0.504 60 L N -0.453 121.049 121.223 0.466 0.000 2.023 60 L HA -0.207 4.131 4.340 -0.003 0.000 0.205 60 L C 2.550 179.455 176.870 0.058 0.000 1.073 60 L CA 1.525 56.566 54.840 0.335 0.000 0.745 60 L CB -1.210 40.970 42.059 0.203 0.000 0.900 60 L HN -0.020 nan 8.230 nan 0.000 0.435 61 Q N -0.223 119.592 119.800 0.024 0.000 2.443 61 Q HA -0.208 4.131 4.340 -0.003 0.000 0.213 61 Q C 1.788 177.757 176.000 -0.051 0.000 0.982 61 Q CA 1.220 57.016 55.803 -0.013 0.000 0.894 61 Q CB -0.277 28.457 28.738 -0.007 0.000 0.947 61 Q HN 0.513 nan 8.270 nan 0.000 0.480 62 N N -0.323 118.314 118.700 -0.106 0.000 2.124 62 N HA -0.184 4.555 4.740 -0.003 0.000 0.188 62 N C 1.566 176.940 175.510 -0.227 0.000 1.045 62 N CA 0.512 53.451 53.050 -0.186 0.000 0.846 62 N CB 0.198 38.500 38.487 -0.307 0.000 1.020 62 N HN 0.034 nan 8.380 nan 0.000 0.432 63 Q N 1.247 120.844 119.800 -0.339 0.000 2.118 63 Q HA -0.154 4.184 4.340 -0.003 0.000 0.211 63 Q C 1.779 177.689 176.000 -0.149 0.000 0.998 63 Q CA 1.586 57.216 55.803 -0.288 0.000 0.872 63 Q CB -0.418 28.171 28.738 -0.249 0.000 0.925 63 Q HN 0.341 nan 8.270 nan 0.000 0.414 64 R N -1.016 119.423 120.500 -0.101 0.000 2.303 64 R HA -0.101 4.238 4.340 -0.003 0.000 0.225 64 R C 1.707 177.961 176.300 -0.077 0.000 1.114 64 R CA 0.930 56.984 56.100 -0.076 0.000 1.007 64 R CB -0.081 30.190 30.300 -0.048 0.000 0.861 64 R HN 0.268 nan 8.270 nan 0.000 0.471 65 M N -1.651 117.903 119.600 -0.077 0.000 2.384 65 M HA 0.109 4.587 4.480 -0.003 0.000 0.258 65 M C 2.323 178.593 176.300 -0.048 0.000 1.130 65 M CA 1.277 56.548 55.300 -0.047 0.000 1.187 65 M CB -1.260 31.314 32.600 -0.043 0.000 1.307 65 M HN 0.189 nan 8.290 nan 0.000 0.468 66 G N -0.072 108.684 108.800 -0.074 0.000 2.527 66 G HA2 0.026 3.984 3.960 -0.003 0.000 0.219 66 G HA3 0.026 3.984 3.960 -0.003 0.000 0.219 66 G C 1.492 176.375 174.900 -0.028 0.000 1.117 66 G CA 1.191 46.261 45.100 -0.050 0.000 0.759 66 G HN 0.517 nan 8.290 nan 0.000 0.556 67 A N 0.347 123.128 122.820 -0.066 0.000 1.862 67 A HA 0.306 4.624 4.320 -0.003 0.000 0.211 67 A C 2.335 179.882 177.584 -0.061 0.000 1.220 67 A CA 0.709 52.693 52.037 -0.089 0.000 0.616 67 A CB -0.369 18.564 19.000 -0.112 0.000 0.878 67 A HN 0.274 nan 8.150 nan 0.000 0.453 68 L N -0.534 120.625 121.223 -0.107 0.000 1.970 68 L HA -0.180 4.158 4.340 -0.003 0.000 0.212 68 L C 2.540 179.380 176.870 -0.051 0.000 1.071 68 L CA 1.545 56.278 54.840 -0.179 0.000 0.751 68 L CB -0.608 41.270 42.059 -0.300 0.000 0.889 68 L HN 0.311 nan 8.230 nan 0.000 0.432 69 V N -0.275 119.644 119.914 0.009 0.000 2.317 69 V HA -0.395 3.723 4.120 -0.003 0.000 0.251 69 V C 2.636 178.765 176.094 0.059 0.000 1.065 69 V CA 2.372 64.701 62.300 0.048 0.000 1.049 69 V CB -0.667 31.180 31.823 0.040 0.000 0.651 69 V HN 0.616 nan 8.190 nan 0.000 0.450 70 H N 0.969 120.018 119.070 -0.035 0.000 2.290 70 H HA -0.141 4.414 4.556 -0.003 0.000 0.298 70 H C 1.963 177.276 175.328 -0.026 0.000 1.087 70 H CA 2.262 58.292 56.048 -0.029 0.000 1.291 70 H CB -0.494 29.245 29.762 -0.038 0.000 1.369 70 H HN 0.628 nan 8.280 nan 0.000 0.492 71 T N -1.739 112.936 114.554 0.202 0.000 3.287 71 T HA 0.521 4.870 4.350 -0.003 0.000 0.253 71 T C 1.523 176.239 174.700 0.026 0.000 0.975 71 T CA 0.263 62.428 62.100 0.109 0.000 0.912 71 T CB -0.180 68.740 68.868 0.088 0.000 1.071 71 T HN 0.415 nan 8.240 nan 0.000 0.578 72 A N 1.958 124.799 122.820 0.035 0.000 2.066 72 A HA 0.001 4.319 4.320 -0.003 0.000 0.218 72 A C 1.980 179.624 177.584 0.099 0.000 1.157 72 A CA 1.247 53.333 52.037 0.081 0.000 0.670 72 A CB -0.395 18.662 19.000 0.095 0.000 0.804 72 A HN 0.745 nan 8.150 nan 0.000 0.453 73 D N 0.331 120.764 120.400 0.055 0.000 2.084 73 D HA -0.119 4.519 4.640 -0.003 0.000 0.199 73 D C 0.849 177.201 176.300 0.086 0.000 0.981 73 D CA 0.767 54.800 54.000 0.056 0.000 0.841 73 D CB -0.864 39.945 40.800 0.015 0.000 0.997 73 D HN 0.267 nan 8.370 nan 0.000 0.454 74 N N -0.068 118.674 118.700 0.070 0.000 2.402 74 N HA -0.056 4.683 4.740 -0.003 0.000 0.252 74 N C 0.204 175.782 175.510 0.112 0.000 1.118 74 N CA -0.214 52.888 53.050 0.088 0.000 0.945 74 N CB 0.321 38.841 38.487 0.055 0.000 1.147 74 N HN 0.132 nan 8.380 nan 0.000 0.495 75 Y N 7.181 127.517 120.300 0.061 0.000 2.070 75 Y HA -0.066 4.482 4.550 -0.003 0.000 0.280 75 Y C -0.990 174.955 175.900 0.074 0.000 1.148 75 Y CA 1.943 60.098 58.100 0.091 0.000 1.125 75 Y CB -0.993 37.522 38.460 0.091 0.000 0.975 75 Y HN 0.504 nan 8.280 nan 0.000 0.492 76 P HA -0.199 nan 4.420 nan 0.000 0.216 76 P C 1.717 178.974 177.300 -0.072 0.000 1.150 76 P CA 1.561 64.666 63.100 0.008 0.000 0.837 76 P CB -0.128 31.634 31.700 0.102 0.000 0.786 77 L N -1.383 119.818 121.223 -0.037 0.000 2.083 77 L HA -0.128 4.210 4.340 -0.003 0.000 0.209 77 L C 2.167 178.977 176.870 -0.099 0.000 1.083 77 L CA 1.614 56.430 54.840 -0.040 0.000 0.752 77 L CB -1.184 40.876 42.059 0.002 0.000 0.899 77 L HN -0.096 nan 8.230 nan 0.000 0.433 78 L N -1.596 119.528 121.223 -0.166 0.000 1.948 78 L HA -0.250 4.088 4.340 -0.003 0.000 0.212 78 L C 2.346 179.020 176.870 -0.328 0.000 1.074 78 L CA 1.098 55.759 54.840 -0.297 0.000 0.753 78 L CB -0.661 41.172 42.059 -0.375 0.000 0.888 78 L HN 0.197 nan 8.230 nan 0.000 0.432 79 L N -0.419 120.587 121.223 -0.361 0.000 2.270 79 L HA -0.267 4.071 4.340 -0.003 0.000 0.217 79 L C 2.424 179.244 176.870 -0.082 0.000 1.107 79 L CA 1.724 56.432 54.840 -0.220 0.000 0.772 79 L CB -1.602 40.302 42.059 -0.259 0.000 0.902 79 L HN 0.444 nan 8.230 nan 0.000 0.439 80 T N -0.030 114.469 114.554 -0.091 0.000 2.706 80 T HA -0.105 4.243 4.350 -0.003 0.000 0.255 80 T C 1.948 176.660 174.700 0.020 0.000 1.048 80 T CA 1.625 63.706 62.100 -0.031 0.000 1.153 80 T CB -0.251 68.590 68.868 -0.045 0.000 0.865 80 T HN 0.344 nan 8.240 nan 0.000 0.414 81 V N 1.114 121.005 119.914 -0.039 0.000 2.688 81 V HA -0.009 4.109 4.120 -0.003 0.000 0.256 81 V C 2.452 178.519 176.094 -0.045 0.000 1.084 81 V CA 1.616 63.893 62.300 -0.039 0.000 1.103 81 V CB -1.457 30.314 31.823 -0.087 0.000 0.688 81 V HN 0.435 nan 8.190 nan 0.000 0.480 82 A N -0.586 122.183 122.820 -0.085 0.000 2.067 82 A HA 0.020 4.338 4.320 -0.003 0.000 0.219 82 A C 1.971 179.571 177.584 0.025 0.000 1.158 82 A CA 1.743 53.727 52.037 -0.088 0.000 0.661 82 A CB -0.605 18.300 19.000 -0.158 0.000 0.801 82 A HN 0.741 nan 8.150 nan 0.000 0.452 83 F N 0.066 119.984 119.950 -0.054 0.000 2.222 83 F HA 0.145 4.670 4.527 -0.003 0.000 0.285 83 F C 1.809 177.604 175.800 -0.009 0.000 1.068 83 F CA 0.740 58.730 58.000 -0.016 0.000 1.265 83 F CB -0.473 38.520 39.000 -0.012 0.000 1.087 83 F HN 0.087 nan 8.300 nan 0.000 0.511 84 L N 0.179 121.651 121.223 0.416 0.000 1.976 84 L HA -0.395 3.944 4.340 -0.003 0.000 0.223 84 L C 2.678 179.583 176.870 0.058 0.000 1.081 84 L CA 2.030 57.025 54.840 0.260 0.000 0.784 84 L CB -1.494 40.662 42.059 0.161 0.000 0.896 84 L HN 0.326 nan 8.230 nan 0.000 0.438 85 C N -0.592 118.718 119.300 0.018 0.000 2.349 85 C HA -0.250 4.208 4.460 -0.003 0.000 0.274 85 C C 3.157 178.126 174.990 -0.035 0.000 1.178 85 C CA 1.481 60.490 59.018 -0.014 0.000 1.769 85 C CB -1.008 26.712 27.740 -0.032 0.000 2.047 85 C HN 0.578 nan 8.230 nan 0.000 0.448 86 S N 0.656 116.308 115.700 -0.081 0.000 2.354 86 S HA -0.182 4.286 4.470 -0.003 0.000 0.219 86 S C 2.215 176.750 174.600 -0.109 0.000 1.035 86 S CA 1.621 59.761 58.200 -0.101 0.000 1.037 86 S CB -0.873 62.232 63.200 -0.159 0.000 0.956 86 S HN 0.739 nan 8.310 nan 0.000 0.428 87 A N 1.605 124.278 122.820 -0.244 0.000 1.870 87 A HA -0.181 4.138 4.320 -0.003 0.000 0.219 87 A C 2.372 179.955 177.584 -0.002 0.000 1.224 87 A CA 2.298 54.220 52.037 -0.191 0.000 0.650 87 A CB -1.468 17.380 19.000 -0.253 0.000 0.836 87 A HN 0.327 nan 8.150 nan 0.000 0.454 88 V N 0.184 120.118 119.914 0.033 0.000 2.233 88 V HA -0.369 3.749 4.120 -0.003 0.000 0.252 88 V C 2.616 178.786 176.094 0.126 0.000 1.063 88 V CA 2.433 64.784 62.300 0.084 0.000 1.032 88 V CB -1.000 30.862 31.823 0.066 0.000 0.645 88 V HN 0.589 nan 8.190 nan 0.000 0.446 89 L N -0.278 120.995 121.223 0.083 0.000 1.976 89 L HA -0.175 4.164 4.340 -0.003 0.000 0.209 89 L C 2.845 179.837 176.870 0.203 0.000 1.071 89 L CA 1.717 56.619 54.840 0.104 0.000 0.746 89 L CB -1.145 40.928 42.059 0.023 0.000 0.890 89 L HN 0.394 nan 8.230 nan 0.000 0.432 90 A N 0.249 123.161 122.820 0.154 0.000 1.909 90 A HA -0.325 3.993 4.320 -0.003 0.000 0.221 90 A C 2.321 180.147 177.584 0.404 0.000 1.223 90 A CA 2.589 54.772 52.037 0.243 0.000 0.658 90 A CB -0.699 18.407 19.000 0.178 0.000 0.831 90 A HN 0.398 nan 8.150 nan 0.000 0.462 91 M N -2.447 117.322 119.600 0.282 0.000 2.065 91 M HA -0.116 4.362 4.480 -0.003 0.000 0.259 91 M C 2.193 178.707 176.300 0.357 0.000 1.071 91 M CA 2.112 57.574 55.300 0.268 0.000 1.109 91 M CB -0.639 32.052 32.600 0.152 0.000 1.313 91 M HN 0.515 nan 8.290 nan 0.000 0.408 92 F N 1.302 121.370 119.950 0.196 0.000 2.225 92 F HA -0.191 4.334 4.527 -0.003 0.000 0.302 92 F C 1.929 177.820 175.800 0.151 0.000 1.068 92 F CA 1.639 59.755 58.000 0.194 0.000 1.327 92 F CB -0.698 38.368 39.000 0.110 0.000 1.043 92 F HN 0.071 nan 8.300 nan 0.000 0.506 93 G N -1.035 107.986 108.800 0.369 0.000 2.424 93 G HA2 -0.255 3.703 3.960 -0.003 0.000 0.214 93 G HA3 -0.255 3.703 3.960 -0.003 0.000 0.214 93 G C 1.375 176.279 174.900 0.007 0.000 1.202 93 G CA 0.798 45.999 45.100 0.167 0.000 0.793 93 G HN 0.434 nan 8.290 nan 0.000 0.534 94 Y N 0.053 120.354 120.300 0.002 0.000 2.114 94 Y HA -0.127 4.421 4.550 -0.003 0.000 0.282 94 Y C 2.421 178.310 175.900 -0.018 0.000 1.165 94 Y CA 1.499 59.545 58.100 -0.091 0.000 1.148 94 Y CB -0.692 37.714 38.460 -0.089 0.000 0.972 94 Y HN 0.232 nan 8.280 nan 0.000 0.504 95 F N 0.113 120.081 119.950 0.030 0.000 2.015 95 F HA -0.321 4.204 4.527 -0.003 0.000 0.297 95 F C 1.909 177.657 175.800 -0.086 0.000 1.141 95 F CA 0.805 58.779 58.000 -0.043 0.000 1.192 95 F CB -0.328 38.611 39.000 -0.102 0.000 0.957 95 F HN -0.061 nan 8.300 nan 0.000 0.491 96 L N 0.656 121.674 121.223 -0.342 0.000 2.661 96 L HA -0.188 4.150 4.340 -0.003 0.000 0.236 96 L C 1.635 178.406 176.870 -0.165 0.000 1.176 96 L CA 0.744 55.303 54.840 -0.468 0.000 0.836 96 L CB -1.360 40.341 42.059 -0.597 0.000 0.960 96 L HN 0.226 nan 8.230 nan 0.000 0.455 97 V N -1.536 118.324 119.914 -0.091 0.000 2.743 97 V HA 0.001 4.119 4.120 -0.003 0.000 0.237 97 V C 2.378 178.424 176.094 -0.080 0.000 1.113 97 V CA 0.264 62.499 62.300 -0.108 0.000 1.141 97 V CB -0.161 31.537 31.823 -0.209 0.000 0.873 97 V HN 0.276 nan 8.190 nan 0.000 0.486 98 R N 1.068 121.532 120.500 -0.059 0.000 2.092 98 R HA -0.092 4.247 4.340 -0.003 0.000 0.231 98 R C 1.888 178.218 176.300 0.050 0.000 1.119 98 R CA 1.065 57.151 56.100 -0.025 0.000 0.970 98 R CB -0.341 29.988 30.300 0.049 0.000 0.864 98 R HN 0.284 nan 8.270 nan 0.000 0.440 99 K N -0.802 119.667 120.400 0.115 0.000 2.374 99 K HA 0.075 4.394 4.320 -0.003 0.000 0.196 99 K C 0.091 176.476 176.600 -0.357 0.000 1.023 99 K CA 0.413 56.685 56.287 -0.026 0.000 1.103 99 K CB 0.424 33.008 32.500 0.141 0.000 0.848 99 K HN 0.103 nan 8.250 nan 0.000 0.528 100 Y N -2.242 117.981 120.300 -0.129 0.000 2.617 100 Y HA 0.443 4.991 4.550 -0.003 0.000 0.280 100 Y C -0.418 175.402 175.900 -0.132 0.000 1.005 100 Y CA -0.311 57.707 58.100 -0.137 0.000 1.194 100 Y CB 1.499 39.847 38.460 -0.187 0.000 1.405 100 Y HN -0.035 nan 8.280 nan 0.000 0.580 101 A N -0.072 122.748 122.820 -0.001 0.000 2.503 101 A HA 0.441 4.759 4.320 -0.003 0.000 0.275 101 A C -2.640 174.892 177.584 -0.086 0.000 1.339 101 A CA -0.609 51.389 52.037 -0.066 0.000 0.984 101 A CB 0.045 18.993 19.000 -0.087 0.000 1.382 101 A HN -0.045 nan 8.150 nan 0.000 0.609 102 P HA -0.176 nan 4.420 nan 0.000 0.222 102 P C 1.329 178.570 177.300 -0.100 0.000 1.147 102 P CA 1.699 64.738 63.100 -0.101 0.000 0.790 102 P CB 0.201 31.869 31.700 -0.053 0.000 0.780 103 E N -0.419 119.730 120.200 -0.084 0.000 2.265 103 E HA -0.128 4.220 4.350 -0.003 0.000 0.196 103 E C 1.706 178.258 176.600 -0.081 0.000 0.996 103 E CA 0.997 57.352 56.400 -0.075 0.000 0.832 103 E CB -0.768 28.884 29.700 -0.080 0.000 0.756 103 E HN 0.154 nan 8.360 nan 0.000 0.491 104 A N 2.469 125.231 122.820 -0.097 0.000 1.861 104 A HA 0.186 4.504 4.320 -0.003 0.000 0.214 104 A C 1.788 179.305 177.584 -0.112 0.000 1.322 104 A CA 0.576 52.557 52.037 -0.093 0.000 0.601 104 A CB -1.527 17.415 19.000 -0.096 0.000 0.966 104 A HN 0.342 nan 8.150 nan 0.000 0.471 105 G N -0.343 108.357 108.800 -0.168 0.000 2.900 105 G HA2 0.409 4.367 3.960 -0.003 0.000 0.335 105 G HA3 0.409 4.367 3.960 -0.003 0.000 0.335 105 G C 0.826 175.612 174.900 -0.190 0.000 0.194 105 G CA 1.032 45.991 45.100 -0.234 0.000 1.227 105 G HN 2.210 nan 8.290 nan 0.000 0.354 106 G N 0.957 109.668 108.800 -0.149 0.000 2.373 106 G HA2 0.265 4.223 3.960 -0.003 0.000 0.634 106 G HA3 0.265 4.223 3.960 -0.003 0.000 0.634 106 G C 0.950 175.934 174.900 0.140 0.000 1.267 106 G CA 0.583 45.610 45.100 -0.123 0.000 1.008 106 G HN 1.851 nan 8.290 nan 0.000 0.497 107 S N -0.734 115.198 115.700 0.388 0.000 2.434 107 S HA 0.133 4.601 4.470 -0.003 0.000 0.240 107 S C 2.515 177.238 174.600 0.205 0.000 1.052 107 S CA 4.216 62.649 58.200 0.388 0.000 1.198 107 S CB -0.772 62.652 63.200 0.375 0.000 1.124 107 S HN 2.920 nan 8.310 nan 0.000 0.426 108 G N -0.417 108.474 108.800 0.152 0.000 2.284 108 G HA2 -0.169 3.789 3.960 -0.003 0.000 0.201 108 G HA3 -0.169 3.789 3.960 -0.003 0.000 0.201 108 G C 0.884 175.845 174.900 0.101 0.000 0.998 108 G CA 0.319 45.468 45.100 0.082 0.000 0.651 108 G HN 0.550 nan 8.290 nan 0.000 0.489 109 I N 1.412 122.104 120.570 0.202 0.000 2.333 109 I HA -0.005 4.163 4.170 -0.003 0.000 0.246 109 I C 0.014 176.243 176.117 0.186 0.000 1.106 109 I CA 1.165 62.590 61.300 0.208 0.000 1.411 109 I CB -0.749 37.470 38.000 0.366 0.000 1.082 109 I HN 0.110 nan 8.210 nan 0.000 0.420 110 P HA -0.161 nan 4.420 nan 0.000 0.215 110 P C 1.367 178.708 177.300 0.068 0.000 1.153 110 P CA 1.313 64.499 63.100 0.143 0.000 0.853 110 P CB 0.018 31.775 31.700 0.095 0.000 0.788 111 E N -0.216 120.014 120.200 0.049 0.000 1.997 111 E HA -0.160 4.188 4.350 -0.003 0.000 0.201 111 E C 2.142 178.746 176.600 0.007 0.000 1.011 111 E CA 1.088 57.499 56.400 0.018 0.000 0.847 111 E CB -1.225 28.477 29.700 0.003 0.000 0.787 111 E HN 0.112 nan 8.360 nan 0.000 0.472 112 I N 1.344 121.914 120.570 0.000 0.000 2.181 112 I HA -0.315 3.853 4.170 -0.003 0.000 0.247 112 I C 2.481 178.572 176.117 -0.043 0.000 1.081 112 I CA 1.528 62.815 61.300 -0.021 0.000 1.340 112 I CB -0.984 36.996 38.000 -0.032 0.000 1.036 112 I HN 0.323 nan 8.210 nan 0.000 0.417 113 E N 0.553 120.730 120.200 -0.039 0.000 2.085 113 E HA -0.190 4.158 4.350 -0.003 0.000 0.194 113 E C 2.295 178.869 176.600 -0.043 0.000 0.994 113 E CA 1.442 57.804 56.400 -0.064 0.000 0.801 113 E CB -0.217 29.463 29.700 -0.033 0.000 0.743 113 E HN 0.546 nan 8.360 nan 0.000 0.453 114 G N 0.337 109.130 108.800 -0.011 0.000 2.394 114 G HA2 -0.172 3.786 3.960 -0.003 0.000 0.215 114 G HA3 -0.172 3.786 3.960 -0.003 0.000 0.215 114 G C 1.634 176.524 174.900 -0.016 0.000 1.165 114 G CA 0.627 45.724 45.100 -0.004 0.000 0.784 114 G HN 0.382 nan 8.290 nan 0.000 0.535 115 A N 0.456 123.268 122.820 -0.014 0.000 2.084 115 A HA 0.057 4.376 4.320 -0.003 0.000 0.221 115 A C 2.355 179.918 177.584 -0.036 0.000 1.161 115 A CA 1.080 53.114 52.037 -0.005 0.000 0.653 115 A CB -0.325 18.679 19.000 0.008 0.000 0.802 115 A HN 0.384 nan 8.150 nan 0.000 0.457 116 L N -0.888 120.283 121.223 -0.087 0.000 2.093 116 L HA -0.126 4.212 4.340 -0.003 0.000 0.208 116 L C 2.023 178.728 176.870 -0.274 0.000 1.085 116 L CA 1.223 55.946 54.840 -0.195 0.000 0.755 116 L CB -0.345 41.598 42.059 -0.195 0.000 0.904 116 L HN 0.428 nan 8.230 nan 0.000 0.435 117 E N -0.227 119.892 120.200 -0.134 0.000 2.463 117 E HA -0.077 4.271 4.350 -0.003 0.000 0.191 117 E C -0.531 176.060 176.600 -0.014 0.000 1.083 117 E CA 0.007 56.359 56.400 -0.080 0.000 0.872 117 E CB 0.089 29.779 29.700 -0.016 0.000 0.966 117 E HN 0.342 nan 8.360 nan 0.000 0.491 118 D N 0.956 121.356 120.400 -0.001 0.000 2.800 118 D HA -0.170 4.468 4.640 -0.003 0.000 0.232 118 D C 0.529 176.854 176.300 0.042 0.000 1.137 118 D CA 0.510 54.545 54.000 0.058 0.000 0.718 118 D CB -0.668 40.196 40.800 0.108 0.000 1.084 118 D HN 0.286 nan 8.370 nan 0.000 0.432 119 Q N -0.832 118.983 119.800 0.025 0.000 2.217 119 Q HA 0.149 4.487 4.340 -0.003 0.000 0.217 119 Q C 0.603 176.616 176.000 0.022 0.000 0.844 119 Q CA 0.404 56.221 55.803 0.022 0.000 0.957 119 Q CB 1.111 29.858 28.738 0.014 0.000 1.127 119 Q HN 0.297 nan 8.270 nan 0.000 0.503 120 R N 0.008 120.523 120.500 0.024 0.000 2.764 120 R HA 0.603 4.942 4.340 -0.003 0.000 0.270 120 R C -2.679 173.641 176.300 0.034 0.000 1.014 120 R CA -1.732 54.381 56.100 0.022 0.000 0.904 120 R CB 0.448 30.754 30.300 0.010 0.000 1.236 120 R HN -0.116 nan 8.270 nan 0.000 0.466 121 P HA 0.423 nan 4.420 nan 0.000 0.289 121 P C -0.693 176.617 177.300 0.017 0.000 1.293 121 P CA -0.796 62.334 63.100 0.050 0.000 0.897 121 P CB 1.090 32.830 31.700 0.066 0.000 1.166 122 V N 2.650 122.601 119.914 0.061 0.000 2.192 122 V HA 0.218 4.337 4.120 -0.003 0.000 0.264 122 V C 0.977 176.983 176.094 -0.146 0.000 1.155 122 V CA -0.334 61.991 62.300 0.042 0.000 1.005 122 V CB -0.615 31.313 31.823 0.175 0.000 1.201 122 V HN 0.425 nan 8.190 nan 0.000 0.468 123 R N 3.694 123.896 120.500 -0.496 0.000 4.902 123 R HA -0.003 4.335 4.340 -0.003 0.000 0.201 123 R C 1.656 177.113 176.300 -1.404 0.000 2.020 123 R CA -0.115 55.086 56.100 -1.498 0.000 1.674 123 R CB -0.129 29.575 30.300 -0.994 0.000 1.349 123 R HN 0.941 nan 8.270 nan 0.000 0.813 124 W N 0.741 121.588 121.300 -0.755 0.000 2.321 124 W HA -0.279 4.380 4.660 -0.003 0.000 0.306 124 W C 0.913 177.265 176.519 -0.277 0.000 1.217 124 W CA 0.950 58.094 57.345 -0.335 0.000 1.257 124 W CB -1.295 28.128 29.460 -0.062 0.000 1.145 124 W HN 0.426 nan 8.180 nan 0.000 0.509 125 W N 1.437 122.237 121.300 -0.834 0.000 2.424 125 W HA 0.043 4.701 4.660 -0.003 0.000 0.264 125 W C 2.170 178.568 176.519 -0.203 0.000 1.229 125 W CA 1.410 58.349 57.345 -0.677 0.000 1.208 125 W CB -1.151 27.684 29.460 -1.042 0.000 1.127 125 W HN -0.155 nan 8.180 nan 0.000 0.588 126 R N 0.235 120.269 120.500 -0.777 0.000 2.098 126 R HA 0.033 4.371 4.340 -0.003 0.000 0.203 126 R C 2.243 178.406 176.300 -0.228 0.000 1.166 126 R CA 0.949 56.792 56.100 -0.429 0.000 1.090 126 R CB -0.492 29.479 30.300 -0.548 0.000 0.992 126 R HN 0.111 nan 8.270 nan 0.000 0.477 127 V N 2.594 122.340 119.914 -0.279 0.000 2.231 127 V HA -0.310 3.808 4.120 -0.003 0.000 0.248 127 V C 2.478 178.553 176.094 -0.032 0.000 1.054 127 V CA 1.856 64.075 62.300 -0.136 0.000 1.015 127 V CB -0.734 31.007 31.823 -0.136 0.000 0.638 127 V HN 0.282 nan 8.190 nan 0.000 0.444 128 L N 0.688 121.921 121.223 0.018 0.000 1.965 128 L HA -0.202 4.137 4.340 -0.003 0.000 0.226 128 L C 0.598 177.542 176.870 0.124 0.000 1.083 128 L CA 2.712 57.587 54.840 0.059 0.000 0.790 128 L CB -2.372 39.751 42.059 0.106 0.000 0.898 128 L HN 0.363 nan 8.230 nan 0.000 0.439 129 P HA -0.136 nan 4.420 nan 0.000 0.216 129 P C 1.852 179.361 177.300 0.349 0.000 1.150 129 P CA 1.521 64.835 63.100 0.356 0.000 0.837 129 P CB 0.015 31.859 31.700 0.239 0.000 0.786 130 V N 0.977 120.967 119.914 0.127 0.000 2.221 130 V HA -0.218 3.901 4.120 -0.003 0.000 0.242 130 V C 2.803 178.942 176.094 0.074 0.000 1.041 130 V CA 2.322 64.650 62.300 0.047 0.000 0.995 130 V CB -1.227 30.576 31.823 -0.032 0.000 0.635 130 V HN 0.051 nan 8.190 nan 0.000 0.448 131 K N -0.141 120.277 120.400 0.031 0.000 2.044 131 K HA -0.220 4.098 4.320 -0.003 0.000 0.210 131 K C 1.860 178.472 176.600 0.020 0.000 1.049 131 K CA 1.941 58.224 56.287 -0.006 0.000 0.927 131 K CB -0.815 31.654 32.500 -0.053 0.000 0.713 131 K HN 0.407 nan 8.250 nan 0.000 0.443 132 F N -0.325 119.559 119.950 -0.109 0.000 1.982 132 F HA -0.232 4.293 4.527 -0.003 0.000 0.296 132 F C 1.759 177.560 175.800 0.001 0.000 1.199 132 F CA 1.920 59.822 58.000 -0.163 0.000 1.174 132 F CB -0.539 38.296 39.000 -0.276 0.000 0.963 132 F HN 0.023 nan 8.300 nan 0.000 0.495 133 F N 1.093 120.985 119.950 -0.098 0.000 2.287 133 F HA -0.106 4.420 4.527 -0.003 0.000 0.301 133 F C 2.517 178.360 175.800 0.072 0.000 1.069 133 F CA 1.179 59.109 58.000 -0.116 0.000 1.372 133 F CB -1.457 37.611 39.000 0.113 0.000 1.056 133 F HN 0.186 nan 8.300 nan 0.000 0.523 134 G N -0.198 108.737 108.800 0.225 0.000 2.404 134 G HA2 -0.140 3.818 3.960 -0.003 0.000 0.215 134 G HA3 -0.140 3.818 3.960 -0.003 0.000 0.215 134 G C 2.058 177.030 174.900 0.119 0.000 1.174 134 G CA 0.760 45.951 45.100 0.152 0.000 0.780 134 G HN 0.483 nan 8.290 nan 0.000 0.537 135 G N 0.641 109.518 108.800 0.130 0.000 2.422 135 G HA2 -0.051 3.907 3.960 -0.003 0.000 0.218 135 G HA3 -0.051 3.907 3.960 -0.003 0.000 0.218 135 G C 1.653 176.619 174.900 0.110 0.000 1.140 135 G CA 0.552 45.778 45.100 0.210 0.000 0.775 135 G HN 0.308 nan 8.290 nan 0.000 0.545 136 L N 1.486 122.716 121.223 0.012 0.000 2.263 136 L HA 0.027 4.365 4.340 -0.003 0.000 0.216 136 L C 2.786 179.605 176.870 -0.085 0.000 1.111 136 L CA 1.588 56.325 54.840 -0.170 0.000 0.773 136 L CB -0.692 41.194 42.059 -0.288 0.000 0.906 136 L HN 0.257 nan 8.230 nan 0.000 0.439 137 G N -1.758 107.053 108.800 0.017 0.000 2.471 137 G HA2 -0.146 3.812 3.960 -0.003 0.000 0.211 137 G HA3 -0.146 3.812 3.960 -0.003 0.000 0.211 137 G C 1.574 176.503 174.900 0.048 0.000 1.194 137 G CA 0.873 46.005 45.100 0.054 0.000 0.816 137 G HN 0.410 nan 8.290 nan 0.000 0.545 138 T N 0.806 115.389 114.554 0.049 0.000 2.635 138 T HA -0.084 4.264 4.350 -0.003 0.000 0.267 138 T C 2.412 177.125 174.700 0.022 0.000 1.040 138 T CA 1.367 63.486 62.100 0.032 0.000 1.156 138 T CB -0.453 68.405 68.868 -0.017 0.000 0.863 138 T HN 0.125 nan 8.240 nan 0.000 0.430 139 L N 1.072 122.296 121.223 0.003 0.000 1.993 139 L HA 0.163 4.501 4.340 -0.003 0.000 0.206 139 L C 3.286 180.121 176.870 -0.058 0.000 1.074 139 L CA 1.398 56.215 54.840 -0.038 0.000 0.746 139 L CB -1.373 40.627 42.059 -0.099 0.000 0.896 139 L HN 0.476 nan 8.230 nan 0.000 0.435 140 G N -0.489 108.258 108.800 -0.088 0.000 2.568 140 G HA2 -0.199 3.759 3.960 -0.003 0.000 0.220 140 G HA3 -0.199 3.759 3.960 -0.003 0.000 0.220 140 G C 1.388 176.276 174.900 -0.021 0.000 1.104 140 G CA 0.897 45.960 45.100 -0.061 0.000 0.738 140 G HN 0.546 nan 8.290 nan 0.000 0.574 141 G N -0.763 108.028 108.800 -0.015 0.000 2.490 141 G HA2 0.383 4.341 3.960 -0.003 0.000 0.211 141 G HA3 0.383 4.341 3.960 -0.003 0.000 0.211 141 G C 1.057 175.952 174.900 -0.009 0.000 1.159 141 G CA 0.665 45.760 45.100 -0.008 0.000 0.819 141 G HN 1.363 nan 8.290 nan 0.000 0.539 142 G N -0.608 108.190 108.800 -0.003 0.000 2.363 142 G HA2 -0.103 3.855 3.960 -0.003 0.000 0.213 142 G HA3 -0.103 3.855 3.960 -0.003 0.000 0.213 142 G C 0.222 175.130 174.900 0.014 0.000 1.028 142 G CA -0.251 44.851 45.100 0.004 0.000 0.822 142 G HN 0.268 nan 8.290 nan 0.000 0.536 143 M N 0.540 120.153 119.600 0.022 0.000 2.228 143 M HA 0.316 4.795 4.480 -0.003 0.000 0.326 143 M C 1.181 177.504 176.300 0.039 0.000 1.122 143 M CA -0.247 55.080 55.300 0.044 0.000 1.161 143 M CB 1.389 34.031 32.600 0.069 0.000 1.437 143 M HN -0.134 nan 8.290 nan 0.000 0.465 144 V N 4.332 124.281 119.914 0.057 0.000 2.159 144 V HA 0.109 4.228 4.120 -0.003 0.000 0.296 144 V C -0.080 176.053 176.094 0.065 0.000 1.762 144 V CA 0.438 62.767 62.300 0.048 0.000 1.708 144 V CB -1.831 30.032 31.823 0.067 0.000 1.484 144 V HN 0.510 nan 8.190 nan 0.000 0.512 145 L N 0.640 121.893 121.223 0.049 0.000 2.386 145 L HA 0.727 5.065 4.340 -0.003 0.000 0.271 145 L C 1.084 177.970 176.870 0.026 0.000 0.993 145 L CA -0.556 54.328 54.840 0.072 0.000 0.819 145 L CB 1.689 43.819 42.059 0.119 0.000 1.294 145 L HN 0.403 nan 8.230 nan 0.000 0.414 146 G N 1.336 110.157 108.800 0.034 0.000 2.441 146 G HA2 0.245 4.203 3.960 -0.003 0.000 0.258 146 G HA3 0.245 4.203 3.960 -0.003 0.000 0.258 146 G C 0.539 175.516 174.900 0.128 0.000 1.487 146 G CA 0.188 45.305 45.100 0.029 0.000 1.058 146 G HN 0.922 nan 8.290 nan 0.000 0.552 147 R N -2.695 117.937 120.500 0.220 0.000 2.504 147 R HA 0.528 4.867 4.340 -0.003 0.000 0.341 147 R C 1.600 178.116 176.300 0.361 0.000 0.905 147 R CA 0.784 57.116 56.100 0.386 0.000 1.133 147 R CB -0.276 30.257 30.300 0.388 0.000 1.704 147 R HN 0.486 nan 8.270 nan 0.000 0.503 148 A N 1.813 124.866 122.820 0.388 0.000 1.881 148 A HA 0.166 4.484 4.320 -0.003 0.000 0.208 148 A C 2.270 179.934 177.584 0.134 0.000 1.264 148 A CA 1.637 53.885 52.037 0.351 0.000 0.629 148 A CB -1.622 17.616 19.000 0.397 0.000 0.906 148 A HN 0.370 nan 8.150 nan 0.000 0.476 149 G N 0.180 109.040 108.800 0.100 0.000 2.808 149 G HA2 -0.317 3.641 3.960 -0.003 0.000 0.225 149 G HA3 -0.317 3.641 3.960 -0.003 0.000 0.225 149 G C -0.187 174.746 174.900 0.055 0.000 1.210 149 G CA 1.817 46.975 45.100 0.096 0.000 0.777 149 G HN 0.473 nan 8.290 nan 0.000 0.640 150 P HA -0.249 nan 4.420 nan 0.000 0.225 150 P C 2.351 179.543 177.300 -0.182 0.000 1.154 150 P CA 3.159 66.216 63.100 -0.072 0.000 0.933 150 P CB -0.512 31.156 31.700 -0.053 0.000 0.790 151 T N -4.134 110.340 114.554 -0.133 0.000 2.851 151 T HA -0.050 4.298 4.350 -0.003 0.000 0.262 151 T C 1.815 176.477 174.700 -0.063 0.000 1.043 151 T CA 1.011 63.037 62.100 -0.124 0.000 1.140 151 T CB -1.459 67.401 68.868 -0.012 0.000 0.872 151 T HN -0.124 nan 8.240 nan 0.000 0.446 152 V N 1.894 121.789 119.914 -0.032 0.000 2.324 152 V HA -0.252 3.866 4.120 -0.003 0.000 0.250 152 V C 2.969 179.042 176.094 -0.035 0.000 1.060 152 V CA 2.152 64.434 62.300 -0.029 0.000 1.042 152 V CB -0.879 30.935 31.823 -0.014 0.000 0.650 152 V HN 0.548 nan 8.190 nan 0.000 0.450 153 Q N -0.527 119.253 119.800 -0.033 0.000 2.020 153 Q HA -0.105 4.233 4.340 -0.003 0.000 0.198 153 Q C 2.303 178.270 176.000 -0.055 0.000 0.974 153 Q CA 1.582 57.365 55.803 -0.034 0.000 0.829 153 Q CB -0.104 28.620 28.738 -0.023 0.000 0.894 153 Q HN 0.592 nan 8.270 nan 0.000 0.433 154 I N 0.679 121.196 120.570 -0.088 0.000 2.623 154 I HA -0.234 3.934 4.170 -0.003 0.000 0.261 154 I C 1.997 178.063 176.117 -0.085 0.000 1.204 154 I CA 0.927 62.167 61.300 -0.100 0.000 1.444 154 I CB -0.622 37.282 38.000 -0.160 0.000 1.094 154 I HN 0.306 nan 8.210 nan 0.000 0.451 155 G N 0.849 109.606 108.800 -0.072 0.000 2.605 155 G HA2 -0.111 3.847 3.960 -0.003 0.000 0.215 155 G HA3 -0.111 3.847 3.960 -0.003 0.000 0.215 155 G C 1.700 176.564 174.900 -0.059 0.000 1.279 155 G CA 0.683 45.745 45.100 -0.064 0.000 0.831 155 G HN 0.396 nan 8.290 nan 0.000 0.560 156 G N 1.174 109.946 108.800 -0.046 0.000 2.597 156 G HA2 -0.381 3.578 3.960 -0.003 0.000 0.222 156 G HA3 -0.381 3.578 3.960 -0.003 0.000 0.222 156 G C 1.724 176.604 174.900 -0.033 0.000 1.135 156 G CA 1.691 46.770 45.100 -0.036 0.000 0.759 156 G HN 0.484 nan 8.290 nan 0.000 0.595 157 N N 0.324 119.009 118.700 -0.025 0.000 2.149 157 N HA -0.073 4.666 4.740 -0.003 0.000 0.188 157 N C 2.086 177.519 175.510 -0.128 0.000 1.019 157 N CA 1.072 54.122 53.050 -0.002 0.000 0.857 157 N CB -0.130 38.388 38.487 0.052 0.000 0.997 157 N HN 0.267 nan 8.380 nan 0.000 0.426 158 I N 0.119 120.610 120.570 -0.132 0.000 2.179 158 I HA -0.104 4.064 4.170 -0.003 0.000 0.242 158 I C 2.281 178.280 176.117 -0.196 0.000 1.088 158 I CA 1.309 62.496 61.300 -0.187 0.000 1.357 158 I CB -1.579 36.342 38.000 -0.132 0.000 1.051 158 I HN 0.184 nan 8.210 nan 0.000 0.409 159 G N 0.282 109.009 108.800 -0.122 0.000 2.509 159 G HA2 -0.250 3.708 3.960 -0.003 0.000 0.218 159 G HA3 -0.250 3.708 3.960 -0.003 0.000 0.218 159 G C 1.861 176.703 174.900 -0.096 0.000 1.124 159 G CA 0.503 45.552 45.100 -0.084 0.000 0.776 159 G HN 0.241 nan 8.290 nan 0.000 0.547 160 R N 0.173 120.589 120.500 -0.140 0.000 2.066 160 R HA 0.233 4.571 4.340 -0.003 0.000 0.224 160 R C 2.393 178.476 176.300 -0.362 0.000 1.122 160 R CA 1.266 57.294 56.100 -0.119 0.000 0.974 160 R CB -0.775 29.535 30.300 0.016 0.000 0.871 160 R HN 0.283 nan 8.270 nan 0.000 0.435 161 M N 0.592 119.701 119.600 -0.820 0.000 2.108 161 M HA -0.208 4.270 4.480 -0.003 0.000 0.257 161 M C 1.775 177.638 176.300 -0.728 0.000 1.071 161 M CA 2.584 57.033 55.300 -1.417 0.000 1.093 161 M CB -0.158 31.571 32.600 -1.451 0.000 1.345 161 M HN 0.153 nan 8.290 nan 0.000 0.403 162 V N -1.002 118.643 119.914 -0.447 0.000 2.270 162 V HA -0.215 3.904 4.120 -0.003 0.000 0.245 162 V C 2.264 178.248 176.094 -0.183 0.000 1.043 162 V CA 1.640 63.745 62.300 -0.324 0.000 1.014 162 V CB -1.551 30.303 31.823 0.051 0.000 0.645 162 V HN 0.604 nan 8.190 nan 0.000 0.447 163 L N 1.498 122.691 121.223 -0.050 0.000 2.034 163 L HA -0.267 4.071 4.340 -0.003 0.000 0.217 163 L C 2.063 178.942 176.870 0.015 0.000 1.077 163 L CA 2.886 57.748 54.840 0.036 0.000 0.769 163 L CB -1.067 41.015 42.059 0.037 0.000 0.890 163 L HN 0.417 nan 8.230 nan 0.000 0.435 164 D N -0.367 120.009 120.400 -0.040 0.000 2.084 164 D HA -0.106 4.533 4.640 -0.003 0.000 0.199 164 D C 2.249 178.493 176.300 -0.093 0.000 0.981 164 D CA 1.867 55.876 54.000 0.014 0.000 0.841 164 D CB -0.318 40.593 40.800 0.185 0.000 0.997 164 D HN 0.423 nan 8.370 nan 0.000 0.454 165 I N -0.042 120.350 120.570 -0.298 0.000 2.761 165 I HA -0.241 3.927 4.170 -0.003 0.000 0.266 165 I C 0.716 176.528 176.117 -0.509 0.000 1.239 165 I CA 0.877 61.896 61.300 -0.468 0.000 1.451 165 I CB -0.130 37.411 38.000 -0.764 0.000 1.096 165 I HN -0.054 nan 8.210 nan 0.000 0.465 166 F N 0.589 120.550 119.950 0.017 0.000 2.729 166 F HA 0.247 4.773 4.527 -0.003 0.000 0.315 166 F C 0.884 176.699 175.800 0.024 0.000 1.102 166 F CA -0.898 57.116 58.000 0.022 0.000 1.204 166 F CB -0.079 38.937 39.000 0.027 0.000 1.052 166 F HN -0.030 nan 8.300 nan 0.000 0.551 167 R N 0.153 120.728 120.500 0.125 0.000 3.538 167 R HA -0.255 4.083 4.340 -0.003 0.000 0.252 167 R C -0.573 175.787 176.300 0.100 0.000 1.050 167 R CA 0.397 56.553 56.100 0.093 0.000 0.699 167 R CB -3.155 27.186 30.300 0.068 0.000 1.066 167 R HN 0.375 nan 8.270 nan 0.000 0.477 168 L N 0.331 121.633 121.223 0.131 0.000 2.562 168 L HA 0.202 4.540 4.340 -0.003 0.000 0.271 168 L C 1.141 178.051 176.870 0.066 0.000 1.167 168 L CA 0.611 55.510 54.840 0.098 0.000 0.917 168 L CB 0.050 42.176 42.059 0.111 0.000 1.187 168 L HN 0.096 nan 8.230 nan 0.000 0.482 169 K N 2.635 123.062 120.400 0.046 0.000 2.098 169 K HA 0.732 5.051 4.320 -0.003 0.000 0.257 169 K C 0.286 176.895 176.600 0.015 0.000 0.999 169 K CA 0.207 56.513 56.287 0.030 0.000 0.924 169 K CB 1.002 33.517 32.500 0.025 0.000 1.028 169 K HN 0.877 nan 8.250 nan 0.000 0.466 170 G N 1.803 110.604 108.800 0.000 0.000 2.440 170 G HA2 -0.128 3.830 3.960 -0.003 0.000 0.684 170 G HA3 -0.128 3.830 3.960 -0.003 0.000 0.684 170 G C -0.440 174.420 174.900 -0.066 0.000 1.309 170 G CA -0.419 44.666 45.100 -0.024 0.000 0.931 170 G HN 0.654 nan 8.290 nan 0.000 0.612 171 D N -0.383 119.940 120.400 -0.129 0.000 2.162 171 D HA -0.013 4.625 4.640 -0.003 0.000 0.205 171 D C 2.003 178.114 176.300 -0.315 0.000 0.964 171 D CA 1.120 54.926 54.000 -0.323 0.000 0.847 171 D CB 0.025 40.576 40.800 -0.414 0.000 0.988 171 D HN 0.619 nan 8.370 nan 0.000 0.480 172 E N 0.873 120.985 120.200 -0.146 0.000 2.049 172 E HA -0.195 4.153 4.350 -0.003 0.000 0.198 172 E C 1.750 178.339 176.600 -0.017 0.000 1.007 172 E CA 1.191 57.560 56.400 -0.053 0.000 0.809 172 E CB 0.014 29.710 29.700 -0.006 0.000 0.749 172 E HN 0.124 nan 8.360 nan 0.000 0.450 173 A N 0.461 123.274 122.820 -0.012 0.000 2.239 173 A HA -0.092 4.226 4.320 -0.003 0.000 0.209 173 A C 1.945 179.549 177.584 0.033 0.000 1.171 173 A CA 0.858 52.908 52.037 0.022 0.000 0.768 173 A CB -0.236 18.784 19.000 0.034 0.000 0.790 173 A HN 0.143 nan 8.150 nan 0.000 0.478 174 R N -1.894 118.614 120.500 0.014 0.000 2.221 174 R HA 0.121 4.459 4.340 -0.003 0.000 0.195 174 R C 1.536 177.946 176.300 0.183 0.000 0.956 174 R CA 0.515 56.660 56.100 0.075 0.000 1.064 174 R CB -0.075 30.259 30.300 0.057 0.000 1.049 174 R HN 0.728 nan 8.270 nan 0.000 0.534 175 H N -1.279 117.800 119.070 0.015 0.000 2.482 175 H HA 0.084 4.638 4.556 -0.003 0.000 0.286 175 H C 1.249 176.569 175.328 -0.014 0.000 1.017 175 H CA 1.110 57.156 56.048 -0.003 0.000 1.322 175 H CB 0.678 30.435 29.762 -0.008 0.000 1.426 175 H HN 0.119 nan 8.280 nan 0.000 0.546 176 T N 0.890 115.516 114.554 0.121 0.000 2.781 176 T HA 0.000 4.348 4.350 -0.003 0.000 0.252 176 T C 2.067 176.791 174.700 0.041 0.000 1.039 176 T CA 0.357 62.494 62.100 0.061 0.000 1.147 176 T CB -0.103 68.794 68.868 0.048 0.000 0.865 176 T HN 0.170 nan 8.240 nan 0.000 0.423 177 L N 0.886 122.135 121.223 0.044 0.000 2.353 177 L HA -0.023 4.315 4.340 -0.003 0.000 0.220 177 L C 2.251 179.129 176.870 0.013 0.000 1.133 177 L CA 0.708 55.564 54.840 0.027 0.000 0.798 177 L CB -0.424 41.656 42.059 0.035 0.000 0.922 177 L HN 0.233 nan 8.230 nan 0.000 0.445 178 L N -0.465 120.775 121.223 0.028 0.000 2.168 178 L HA 0.042 4.380 4.340 -0.003 0.000 0.203 178 L C 2.607 179.466 176.870 -0.020 0.000 1.078 178 L CA 1.490 56.336 54.840 0.010 0.000 0.780 178 L CB -0.341 41.737 42.059 0.032 0.000 0.939 178 L HN 0.081 nan 8.230 nan 0.000 0.451 179 A N -0.747 122.061 122.820 -0.020 0.000 1.845 179 A HA -0.240 4.078 4.320 -0.003 0.000 0.215 179 A C 2.385 179.942 177.584 -0.045 0.000 1.195 179 A CA 2.511 54.518 52.037 -0.050 0.000 0.616 179 A CB -1.508 17.464 19.000 -0.047 0.000 0.832 179 A HN 0.560 nan 8.150 nan 0.000 0.443 180 T N -2.253 112.287 114.554 -0.024 0.000 2.803 180 T HA -0.042 4.306 4.350 -0.003 0.000 0.269 180 T C 1.799 176.479 174.700 -0.033 0.000 1.052 180 T CA 1.891 63.977 62.100 -0.023 0.000 1.136 180 T CB -0.920 67.944 68.868 -0.006 0.000 0.864 180 T HN 0.494 nan 8.240 nan 0.000 0.467 181 G N 0.531 109.310 108.800 -0.034 0.000 2.471 181 G HA2 0.203 4.161 3.960 -0.003 0.000 0.219 181 G HA3 0.203 4.161 3.960 -0.003 0.000 0.219 181 G C 1.741 176.614 174.900 -0.045 0.000 1.125 181 G CA 0.722 45.797 45.100 -0.042 0.000 0.775 181 G HN 0.773 nan 8.290 nan 0.000 0.548 182 A N 1.192 123.983 122.820 -0.048 0.000 1.843 182 A HA 0.473 4.791 4.320 -0.003 0.000 0.213 182 A C 2.819 180.382 177.584 -0.034 0.000 1.202 182 A CA 1.840 53.848 52.037 -0.048 0.000 0.607 182 A CB -0.961 17.994 19.000 -0.076 0.000 0.847 182 A HN 0.648 nan 8.150 nan 0.000 0.445 183 A N 0.170 122.965 122.820 -0.041 0.000 1.865 183 A HA 0.065 4.383 4.320 -0.003 0.000 0.217 183 A C 2.543 180.097 177.584 -0.051 0.000 1.191 183 A CA 2.667 54.679 52.037 -0.043 0.000 0.623 183 A CB -1.340 17.619 19.000 -0.068 0.000 0.826 183 A HN 1.260 nan 8.150 nan 0.000 0.444 184 A N -0.718 122.075 122.820 -0.045 0.000 1.940 184 A HA -0.066 4.252 4.320 -0.003 0.000 0.221 184 A C 2.422 179.992 177.584 -0.024 0.000 1.190 184 A CA 2.480 54.496 52.037 -0.034 0.000 0.647 184 A CB -1.513 17.469 19.000 -0.030 0.000 0.821 184 A HN 0.862 nan 8.150 nan 0.000 0.457 185 G N -0.639 108.144 108.800 -0.028 0.000 2.414 185 G HA2 -0.061 3.897 3.960 -0.003 0.000 0.215 185 G HA3 -0.061 3.897 3.960 -0.003 0.000 0.215 185 G C 1.479 176.373 174.900 -0.010 0.000 1.188 185 G CA 1.076 46.166 45.100 -0.018 0.000 0.783 185 G HN 0.514 nan 8.290 nan 0.000 0.537 186 L N 1.572 122.765 121.223 -0.049 0.000 1.989 186 L HA 0.066 4.404 4.340 -0.003 0.000 0.211 186 L C 3.116 179.941 176.870 -0.075 0.000 1.071 186 L CA 2.325 57.090 54.840 -0.124 0.000 0.749 186 L CB -0.903 41.018 42.059 -0.231 0.000 0.890 186 L HN 0.261 nan 8.230 nan 0.000 0.431 187 A N -0.244 122.531 122.820 -0.075 0.000 1.873 187 A HA -0.199 4.120 4.320 -0.003 0.000 0.218 187 A C 2.305 179.856 177.584 -0.055 0.000 1.193 187 A CA 2.159 54.156 52.037 -0.068 0.000 0.629 187 A CB -1.436 17.521 19.000 -0.072 0.000 0.826 187 A HN 0.606 nan 8.150 nan 0.000 0.447 188 A N -1.170 121.641 122.820 -0.015 0.000 2.248 188 A HA 0.386 4.704 4.320 -0.003 0.000 0.210 188 A C 1.952 179.544 177.584 0.012 0.000 1.174 188 A CA 1.521 53.559 52.037 0.002 0.000 0.750 188 A CB -0.643 18.413 19.000 0.093 0.000 0.780 188 A HN 0.989 nan 8.150 nan 0.000 0.478 189 A N -1.669 121.207 122.820 0.093 0.000 1.993 189 A HA 0.458 4.777 4.320 -0.003 0.000 0.207 189 A C 1.108 178.845 177.584 0.254 0.000 1.224 189 A CA 0.566 52.761 52.037 0.262 0.000 0.749 189 A CB 0.016 19.291 19.000 0.458 0.000 0.884 189 A HN 0.394 nan 8.150 nan 0.000 0.467 190 F N -0.435 119.440 119.950 -0.125 0.000 2.661 190 F HA 0.249 4.774 4.527 -0.003 0.000 0.306 190 F C 0.785 176.409 175.800 -0.293 0.000 1.094 190 F CA -0.496 57.422 58.000 -0.136 0.000 1.254 190 F CB -0.586 38.398 39.000 -0.027 0.000 1.040 190 F HN 0.377 nan 8.300 nan 0.000 0.562 191 N N 1.165 119.660 118.700 -0.342 0.000 2.735 191 N HA -0.230 4.508 4.740 -0.003 0.000 0.248 191 N C -0.549 174.876 175.510 -0.142 0.000 1.083 191 N CA 0.767 53.534 53.050 -0.473 0.000 0.703 191 N CB -0.836 37.297 38.487 -0.591 0.000 1.005 191 N HN 0.267 nan 8.380 nan 0.000 0.550 192 A N -0.137 122.639 122.820 -0.073 0.000 2.802 192 A HA 0.482 4.800 4.320 -0.003 0.000 0.344 192 A C -1.000 176.535 177.584 -0.082 0.000 1.215 192 A CA -0.849 51.158 52.037 -0.050 0.000 0.821 192 A CB 1.005 19.996 19.000 -0.016 0.000 1.099 192 A HN 0.260 nan 8.150 nan 0.000 0.479 193 P HA -0.247 nan 4.420 nan 0.000 0.213 193 P C 1.646 178.844 177.300 -0.170 0.000 1.170 193 P CA 1.075 64.100 63.100 -0.124 0.000 0.902 193 P CB 0.069 31.706 31.700 -0.106 0.000 0.789 194 L N -0.492 120.643 121.223 -0.146 0.000 2.010 194 L HA -0.272 4.067 4.340 -0.003 0.000 0.219 194 L C 2.841 179.631 176.870 -0.133 0.000 1.077 194 L CA 2.730 57.481 54.840 -0.149 0.000 0.773 194 L CB -1.906 40.106 42.059 -0.078 0.000 0.892 194 L HN 0.032 nan 8.230 nan 0.000 0.436 195 A N 0.240 122.993 122.820 -0.112 0.000 1.873 195 A HA -0.177 4.141 4.320 -0.003 0.000 0.218 195 A C 2.450 179.956 177.584 -0.129 0.000 1.193 195 A CA 2.070 54.032 52.037 -0.125 0.000 0.629 195 A CB -1.375 17.531 19.000 -0.157 0.000 0.826 195 A HN 0.483 nan 8.150 nan 0.000 0.447 196 G N -0.041 108.671 108.800 -0.146 0.000 2.513 196 G HA2 -0.291 3.668 3.960 -0.003 0.000 0.219 196 G HA3 -0.291 3.668 3.960 -0.003 0.000 0.219 196 G C 1.538 176.396 174.900 -0.071 0.000 1.160 196 G CA 1.397 46.430 45.100 -0.111 0.000 0.767 196 G HN 0.516 nan 8.290 nan 0.000 0.571 197 I N 0.013 120.493 120.570 -0.149 0.000 2.193 197 I HA -0.049 4.119 4.170 -0.003 0.000 0.240 197 I C 2.589 178.657 176.117 -0.081 0.000 1.084 197 I CA 0.316 61.518 61.300 -0.164 0.000 1.365 197 I CB -0.269 37.519 38.000 -0.353 0.000 1.064 197 I HN 0.043 nan 8.210 nan 0.000 0.410 198 L N 0.181 121.363 121.223 -0.068 0.000 2.189 198 L HA -0.259 4.079 4.340 -0.003 0.000 0.214 198 L C 2.491 179.384 176.870 0.038 0.000 1.097 198 L CA 1.919 56.745 54.840 -0.022 0.000 0.764 198 L CB -0.913 41.132 42.059 -0.025 0.000 0.900 198 L HN 0.241 nan 8.230 nan 0.000 0.436 199 F N 0.734 120.586 119.950 -0.163 0.000 2.031 199 F HA -0.237 4.288 4.527 -0.003 0.000 0.295 199 F C 2.379 178.069 175.800 -0.182 0.000 1.133 199 F CA 1.310 59.193 58.000 -0.194 0.000 1.188 199 F CB -0.654 38.189 39.000 -0.262 0.000 0.974 199 F HN -0.063 nan 8.300 nan 0.000 0.473 200 I N 1.247 121.681 120.570 -0.227 0.000 2.113 200 I HA -0.303 3.865 4.170 -0.003 0.000 0.242 200 I C 2.159 178.121 176.117 -0.257 0.000 1.057 200 I CA 1.934 63.040 61.300 -0.325 0.000 1.314 200 I CB -0.879 37.014 38.000 -0.178 0.000 1.022 200 I HN 0.369 nan 8.210 nan 0.000 0.408 201 I N -2.424 118.053 120.570 -0.155 0.000 3.764 201 I HA 0.119 4.287 4.170 -0.003 0.000 0.312 201 I C 1.285 177.330 176.117 -0.121 0.000 1.340 201 I CA 0.704 61.927 61.300 -0.128 0.000 1.195 201 I CB -0.328 37.627 38.000 -0.076 0.000 1.068 201 I HN 0.329 nan 8.210 nan 0.000 0.421 202 E N 0.392 120.503 120.200 -0.149 0.000 2.617 202 E HA -0.031 4.317 4.350 -0.003 0.000 0.208 202 E C 0.967 177.473 176.600 -0.156 0.000 0.888 202 E CA 0.254 56.586 56.400 -0.113 0.000 1.485 202 E CB 0.709 30.385 29.700 -0.040 0.000 1.482 202 E HN 0.534 nan 8.360 nan 0.000 0.813 203 E N -0.267 119.769 120.200 -0.273 0.000 3.555 203 E HA 0.151 4.499 4.350 -0.003 0.000 0.187 203 E C 1.822 178.182 176.600 -0.400 0.000 1.267 203 E CA 0.491 56.691 56.400 -0.335 0.000 1.353 203 E CB -0.274 29.164 29.700 -0.436 0.000 2.031 203 E HN -0.034 nan 8.360 nan 0.000 0.522 204 M N 1.820 121.042 119.600 -0.630 0.000 2.103 204 M HA -0.182 4.296 4.480 -0.003 0.000 0.255 204 M C 1.028 177.150 176.300 -0.296 0.000 1.074 204 M CA 1.572 56.583 55.300 -0.482 0.000 1.090 204 M CB -1.565 30.686 32.600 -0.581 0.000 1.325 204 M HN 0.145 nan 8.290 nan 0.000 0.403 205 R N 2.538 122.873 120.500 -0.275 0.000 2.638 205 R HA 0.091 4.430 4.340 -0.003 0.000 0.268 205 R C -2.392 173.797 176.300 -0.185 0.000 1.006 205 R CA -1.025 54.946 56.100 -0.214 0.000 1.088 205 R CB -1.023 29.158 30.300 -0.199 0.000 0.950 205 R HN 0.093 nan 8.270 nan 0.000 0.419 206 P HA -0.110 nan 4.420 nan 0.000 0.256 206 P C -0.440 176.790 177.300 -0.116 0.000 1.173 206 P CA 0.362 63.413 63.100 -0.082 0.000 0.768 206 P CB 0.837 32.496 31.700 -0.068 0.000 0.758 207 Q N 2.409 122.102 119.800 -0.178 0.000 2.364 207 Q HA -0.068 4.271 4.340 -0.003 0.000 0.207 207 Q C 0.452 175.941 176.000 -0.851 0.000 0.970 207 Q CA 1.717 57.163 55.803 -0.595 0.000 0.888 207 Q CB -0.341 27.844 28.738 -0.922 0.000 0.951 207 Q HN 0.493 nan 8.270 nan 0.000 0.469 208 F N -0.894 119.044 119.950 -0.020 0.000 2.729 208 F HA 0.327 4.853 4.527 -0.003 0.000 0.315 208 F C -0.149 175.662 175.800 0.018 0.000 1.102 208 F CA -0.582 57.419 58.000 0.001 0.000 1.204 208 F CB 0.431 39.434 39.000 0.006 0.000 1.052 208 F HN -0.148 nan 8.300 nan 0.000 0.551 209 R N -1.163 119.427 120.500 0.149 0.000 2.566 209 R HA 0.342 4.680 4.340 -0.003 0.000 0.271 209 R C -1.086 175.279 176.300 0.108 0.000 1.071 209 R CA -0.956 55.228 56.100 0.141 0.000 0.915 209 R CB 0.721 31.109 30.300 0.147 0.000 1.228 209 R HN 0.024 nan 8.270 nan 0.000 0.449 210 Y N 2.272 122.595 120.300 0.038 0.000 3.073 210 Y HA -0.050 4.499 4.550 -0.003 0.000 0.344 210 Y C -0.654 175.273 175.900 0.046 0.000 1.277 210 Y CA 1.604 59.721 58.100 0.030 0.000 1.534 210 Y CB 0.683 39.161 38.460 0.030 0.000 1.273 210 Y HN 0.791 nan 8.280 nan 0.000 0.633 211 T N 5.865 120.015 114.554 -0.673 0.000 2.887 211 T HA 0.372 4.721 4.350 -0.003 0.000 0.292 211 T C -0.495 174.090 174.700 -0.191 0.000 1.087 211 T CA -0.932 61.038 62.100 -0.216 0.000 1.009 211 T CB 1.274 70.064 68.868 -0.130 0.000 1.203 211 T HN 0.431 nan 8.240 nan 0.000 0.518 212 L N 1.043 122.328 121.223 0.103 0.000 2.928 212 L HA 0.412 4.750 4.340 -0.003 0.000 0.236 212 L C -0.262 176.649 176.870 0.068 0.000 1.290 212 L CA 0.343 55.244 54.840 0.102 0.000 1.099 212 L CB -1.104 40.997 42.059 0.070 0.000 1.437 212 L HN 0.450 nan 8.230 nan 0.000 0.493 213 I N -0.937 119.639 120.570 0.011 0.000 2.315 213 I HA 0.207 4.376 4.170 -0.003 0.000 0.291 213 I C 0.674 176.790 176.117 -0.002 0.000 1.006 213 I CA -0.229 61.078 61.300 0.013 0.000 1.265 213 I CB 1.385 39.369 38.000 -0.026 0.000 1.387 213 I HN 0.055 nan 8.210 nan 0.000 0.475 214 S N 6.349 122.063 115.700 0.023 0.000 2.411 214 S HA 0.379 4.847 4.470 -0.003 0.000 0.294 214 S C 1.221 175.846 174.600 0.041 0.000 1.115 214 S CA -0.607 57.610 58.200 0.028 0.000 1.071 214 S CB 0.300 63.520 63.200 0.033 0.000 0.967 214 S HN 0.549 nan 8.310 nan 0.000 0.488 215 I N 4.859 125.457 120.570 0.047 0.000 2.069 215 I HA -0.219 3.950 4.170 -0.003 0.000 0.237 215 I C 2.640 178.849 176.117 0.153 0.000 1.053 215 I CA 1.421 62.785 61.300 0.107 0.000 1.311 215 I CB -0.376 37.691 38.000 0.111 0.000 1.030 215 I HN 0.689 nan 8.210 nan 0.000 0.398 216 K N 0.989 121.417 120.400 0.047 0.000 2.259 216 K HA -0.286 4.032 4.320 -0.003 0.000 0.206 216 K C 1.963 178.603 176.600 0.066 0.000 1.044 216 K CA 1.779 58.054 56.287 -0.020 0.000 0.931 216 K CB -0.102 32.359 32.500 -0.065 0.000 0.726 216 K HN 0.425 nan 8.250 nan 0.000 0.467 217 A N 0.149 123.013 122.820 0.073 0.000 1.898 217 A HA -0.045 4.273 4.320 -0.003 0.000 0.214 217 A C 2.179 179.815 177.584 0.087 0.000 1.183 217 A CA 1.250 53.326 52.037 0.065 0.000 0.622 217 A CB -0.403 18.624 19.000 0.045 0.000 0.824 217 A HN 0.140 nan 8.150 nan 0.000 0.444 218 V N -0.793 119.185 119.914 0.105 0.000 2.255 218 V HA -0.277 3.841 4.120 -0.003 0.000 0.247 218 V C 2.233 178.387 176.094 0.101 0.000 1.051 218 V CA 2.198 64.542 62.300 0.073 0.000 1.018 218 V CB -1.171 30.679 31.823 0.045 0.000 0.641 218 V HN 0.504 nan 8.190 nan 0.000 0.445 219 F N 0.145 120.083 119.950 -0.019 0.000 2.021 219 F HA -0.295 4.230 4.527 -0.003 0.000 0.297 219 F C 2.317 178.106 175.800 -0.018 0.000 1.152 219 F CA 2.412 60.403 58.000 -0.016 0.000 1.201 219 F CB -0.812 38.180 39.000 -0.013 0.000 0.951 219 F HN 0.013 nan 8.300 nan 0.000 0.504 220 I N -0.307 120.398 120.570 0.226 0.000 2.227 220 I HA -0.391 3.778 4.170 -0.003 0.000 0.250 220 I C 2.560 178.701 176.117 0.040 0.000 1.087 220 I CA 1.591 62.950 61.300 0.098 0.000 1.352 220 I CB -1.361 36.667 38.000 0.048 0.000 1.043 220 I HN 0.347 nan 8.210 nan 0.000 0.425 221 G N 0.451 109.270 108.800 0.031 0.000 2.404 221 G HA2 -0.133 3.825 3.960 -0.003 0.000 0.214 221 G HA3 -0.133 3.825 3.960 -0.003 0.000 0.214 221 G C 1.658 176.551 174.900 -0.012 0.000 1.189 221 G CA 0.846 45.942 45.100 -0.006 0.000 0.789 221 G HN 0.240 nan 8.290 nan 0.000 0.533 222 V N 1.489 121.386 119.914 -0.027 0.000 2.231 222 V HA -0.245 3.873 4.120 -0.003 0.000 0.248 222 V C 2.761 178.840 176.094 -0.024 0.000 1.054 222 V CA 1.831 64.098 62.300 -0.055 0.000 1.015 222 V CB -0.650 31.090 31.823 -0.139 0.000 0.638 222 V HN 0.381 nan 8.190 nan 0.000 0.444 223 I N -0.729 119.840 120.570 -0.002 0.000 2.053 223 I HA -0.361 3.807 4.170 -0.003 0.000 0.236 223 I C 2.686 178.823 176.117 0.032 0.000 1.038 223 I CA 1.950 63.268 61.300 0.029 0.000 1.304 223 I CB -0.446 37.593 38.000 0.064 0.000 1.023 223 I HN 0.276 nan 8.210 nan 0.000 0.395 224 M N 0.625 120.238 119.600 0.022 0.000 2.192 224 M HA -0.227 4.252 4.480 -0.003 0.000 0.256 224 M C 2.560 178.883 176.300 0.039 0.000 1.076 224 M CA 2.364 57.674 55.300 0.018 0.000 1.075 224 M CB -1.654 30.938 32.600 -0.014 0.000 1.368 224 M HN 0.504 nan 8.290 nan 0.000 0.406 225 S N -1.402 114.320 115.700 0.036 0.000 2.362 225 S HA -0.066 4.402 4.470 -0.003 0.000 0.221 225 S C 1.946 176.615 174.600 0.114 0.000 1.032 225 S CA 1.455 59.692 58.200 0.062 0.000 0.973 225 S CB -0.920 62.300 63.200 0.034 0.000 0.849 225 S HN 0.413 nan 8.310 nan 0.000 0.465 226 T N 2.905 117.511 114.554 0.087 0.000 2.665 226 T HA -0.072 4.276 4.350 -0.003 0.000 0.268 226 T C 1.662 176.469 174.700 0.178 0.000 1.035 226 T CA 1.761 63.934 62.100 0.123 0.000 1.151 226 T CB -0.614 68.291 68.868 0.061 0.000 0.862 226 T HN 0.260 nan 8.240 nan 0.000 0.438 227 I N 1.015 121.657 120.570 0.120 0.000 2.127 227 I HA -0.172 3.996 4.170 -0.003 0.000 0.241 227 I C 2.398 178.609 176.117 0.158 0.000 1.075 227 I CA 1.353 62.718 61.300 0.108 0.000 1.334 227 I CB -0.496 37.543 38.000 0.066 0.000 1.040 227 I HN 0.202 nan 8.210 nan 0.000 0.405 228 M N -1.196 118.516 119.600 0.187 0.000 2.144 228 M HA -0.287 4.191 4.480 -0.003 0.000 0.260 228 M C 2.446 178.983 176.300 0.396 0.000 1.067 228 M CA 1.871 57.339 55.300 0.281 0.000 1.095 228 M CB -1.470 31.246 32.600 0.193 0.000 1.365 228 M HN 0.354 nan 8.290 nan 0.000 0.406 229 Y N 0.845 121.265 120.300 0.200 0.000 2.263 229 Y HA -0.122 4.426 4.550 -0.003 0.000 0.292 229 Y C 2.408 178.447 175.900 0.231 0.000 1.130 229 Y CA 1.533 59.755 58.100 0.203 0.000 1.179 229 Y CB -0.074 38.462 38.460 0.127 0.000 0.998 229 Y HN 0.055 nan 8.280 nan 0.000 0.532 230 R N 0.311 120.934 120.500 0.205 0.000 2.075 230 R HA -0.107 4.231 4.340 -0.003 0.000 0.232 230 R C 2.087 178.401 176.300 0.024 0.000 1.126 230 R CA 1.320 57.477 56.100 0.096 0.000 0.963 230 R CB -0.749 29.618 30.300 0.112 0.000 0.858 230 R HN 0.415 nan 8.270 nan 0.000 0.435 231 I N 0.136 120.697 120.570 -0.014 0.000 2.657 231 I HA -0.209 3.959 4.170 -0.003 0.000 0.261 231 I C 1.024 176.835 176.117 -0.511 0.000 1.212 231 I CA 1.437 62.546 61.300 -0.319 0.000 1.453 231 I CB -0.563 37.182 38.000 -0.425 0.000 1.092 231 I HN 0.002 nan 8.210 nan 0.000 0.452 232 F N -0.640 119.318 119.950 0.013 0.000 2.798 232 F HA 0.266 4.791 4.527 -0.002 0.000 0.328 232 F C 1.586 177.289 175.800 -0.161 0.000 1.098 232 F CA -0.168 57.823 58.000 -0.015 0.000 1.172 232 F CB -0.206 38.764 39.000 -0.049 0.000 1.072 232 F HN -0.018 nan 8.300 nan 0.000 0.555 233 N N -0.703 117.915 118.700 -0.137 0.000 2.145 233 N HA -0.017 4.721 4.740 -0.003 0.000 0.219 233 N C 0.293 175.661 175.510 -0.236 0.000 1.266 233 N CA 0.049 52.884 53.050 -0.359 0.000 0.902 233 N CB 0.328 38.198 38.487 -1.028 0.000 1.078 233 N HN 0.285 nan 8.380 nan 0.000 0.513 234 H N 1.742 120.725 119.070 -0.146 0.000 3.120 234 H HA -0.108 4.446 4.556 -0.003 0.000 0.356 234 H C 0.563 175.864 175.328 -0.045 0.000 1.184 234 H CA 1.080 57.086 56.048 -0.069 0.000 1.371 234 H CB 0.398 30.120 29.762 -0.067 0.000 1.290 234 H HN 0.249 nan 8.280 nan 0.000 0.602 235 E N -1.176 119.048 120.200 0.041 0.000 3.547 235 E HA -0.181 4.167 4.350 -0.003 0.000 0.300 235 E C -1.383 175.196 176.600 -0.036 0.000 0.857 235 E CA 1.030 57.425 56.400 -0.007 0.000 1.039 235 E CB -0.856 28.826 29.700 -0.029 0.000 1.524 235 E HN 0.470 nan 8.360 nan 0.000 0.457 236 V N 0.119 120.012 119.914 -0.034 0.000 2.653 236 V HA 0.661 4.780 4.120 -0.003 0.000 0.298 236 V C 0.299 176.394 176.094 0.002 0.000 1.097 236 V CA -0.322 61.961 62.300 -0.029 0.000 0.908 236 V CB 1.414 33.205 31.823 -0.054 0.000 1.024 236 V HN 0.329 nan 8.190 nan 0.000 0.435 237 A N 4.045 126.863 122.820 -0.002 0.000 2.310 237 A HA 0.698 5.016 4.320 -0.003 0.000 0.260 237 A C 0.925 178.483 177.584 -0.042 0.000 1.112 237 A CA -0.034 52.001 52.037 -0.004 0.000 0.804 237 A CB 0.433 19.419 19.000 -0.023 0.000 1.081 237 A HN 0.876 nan 8.150 nan 0.000 0.499 238 L N -0.930 120.231 121.223 -0.102 0.000 2.253 238 L HA 0.271 4.609 4.340 -0.003 0.000 0.205 238 L C -0.115 176.587 176.870 -0.281 0.000 1.078 238 L CA 0.853 55.554 54.840 -0.231 0.000 0.805 238 L CB 0.039 41.855 42.059 -0.404 0.000 0.963 238 L HN 0.550 nan 8.230 nan 0.000 0.459 239 I N -0.176 120.265 120.570 -0.215 0.000 2.641 239 I HA 0.155 4.323 4.170 -0.003 0.000 0.275 239 I C -1.047 175.017 176.117 -0.090 0.000 1.129 239 I CA -0.478 60.723 61.300 -0.164 0.000 1.094 239 I CB 1.412 39.302 38.000 -0.184 0.000 1.232 239 I HN -0.113 nan 8.210 nan 0.000 0.503 240 D N 4.643 125.004 120.400 -0.065 0.000 2.317 240 D HA 0.255 4.893 4.640 -0.003 0.000 0.252 240 D C 0.427 176.707 176.300 -0.033 0.000 1.174 240 D CA 0.160 54.135 54.000 -0.042 0.000 0.866 240 D CB 2.040 42.820 40.800 -0.034 0.000 1.127 240 D HN 0.240 nan 8.370 nan 0.000 0.467 241 V N 2.465 122.363 119.914 -0.027 0.000 3.398 241 V HA 0.299 4.418 4.120 -0.003 0.000 0.298 241 V C 1.014 177.100 176.094 -0.014 0.000 1.496 241 V CA 0.166 62.454 62.300 -0.020 0.000 1.044 241 V CB -0.120 31.692 31.823 -0.018 0.000 0.880 241 V HN 0.879 nan 8.190 nan 0.000 0.443 242 G N 1.700 110.491 108.800 -0.014 0.000 2.916 242 G HA2 -0.256 3.702 3.960 -0.003 0.000 0.533 242 G HA3 -0.256 3.702 3.960 -0.003 0.000 0.533 242 G C -0.406 174.490 174.900 -0.007 0.000 1.516 242 G CA -0.155 44.940 45.100 -0.009 0.000 0.944 242 G HN 0.403 nan 8.290 nan 0.000 0.555 243 K N 0.353 120.751 120.400 -0.004 0.000 2.378 243 K HA 0.449 4.767 4.320 -0.003 0.000 0.288 243 K C 1.065 177.663 176.600 -0.003 0.000 1.057 243 K CA -0.341 55.944 56.287 -0.004 0.000 0.971 243 K CB 0.179 32.679 32.500 -0.001 0.000 0.975 243 K HN 0.420 nan 8.250 nan 0.000 0.475 244 L N 2.481 123.699 121.223 -0.007 0.000 2.468 244 L HA 0.250 4.588 4.340 -0.003 0.000 0.254 244 L C 1.016 177.885 176.870 -0.002 0.000 1.171 244 L CA -0.040 54.799 54.840 -0.002 0.000 0.809 244 L CB 1.027 43.081 42.059 -0.008 0.000 1.155 244 L HN 0.940 nan 8.230 nan 0.000 0.473 245 S N 0.119 115.826 115.700 0.012 0.000 2.641 245 S HA 0.052 4.520 4.470 -0.003 0.000 0.251 245 S C -0.096 174.497 174.600 -0.012 0.000 1.332 245 S CA -0.386 57.823 58.200 0.014 0.000 0.968 245 S CB 0.754 63.981 63.200 0.045 0.000 0.987 245 S HN 0.565 nan 8.310 nan 0.000 0.587 246 D N -0.166 120.225 120.400 -0.014 0.000 2.541 246 D HA 0.763 5.401 4.640 -0.003 0.000 0.276 246 D C -0.778 175.486 176.300 -0.061 0.000 1.190 246 D CA 0.082 54.054 54.000 -0.047 0.000 1.095 246 D CB 0.849 41.626 40.800 -0.038 0.000 1.173 246 D HN 0.886 nan 8.370 nan 0.000 0.604 247 A N 0.854 123.619 122.820 -0.090 0.000 2.684 247 A HA 0.460 4.778 4.320 -0.003 0.000 0.289 247 A C -2.619 174.909 177.584 -0.092 0.000 1.139 247 A CA -1.016 50.960 52.037 -0.101 0.000 0.793 247 A CB 0.427 19.290 19.000 -0.228 0.000 1.334 247 A HN 0.285 nan 8.150 nan 0.000 0.408 248 P HA 0.111 nan 4.420 nan 0.000 0.270 248 P C 0.933 178.185 177.300 -0.079 0.000 1.227 248 P CA -0.259 62.799 63.100 -0.070 0.000 0.788 248 P CB 0.701 32.358 31.700 -0.072 0.000 0.926 249 L N 0.482 121.666 121.223 -0.064 0.000 2.217 249 L HA -0.120 4.218 4.340 -0.003 0.000 0.211 249 L C 2.140 178.996 176.870 -0.023 0.000 1.107 249 L CA 1.241 56.057 54.840 -0.039 0.000 0.783 249 L CB -1.050 40.993 42.059 -0.027 0.000 0.919 249 L HN 0.472 nan 8.230 nan 0.000 0.442 250 N N 0.135 118.780 118.700 -0.092 0.000 2.520 250 N HA -0.158 4.581 4.740 -0.003 0.000 0.185 250 N C 1.346 176.735 175.510 -0.202 0.000 1.068 250 N CA 1.549 54.518 53.050 -0.134 0.000 0.911 250 N CB -0.581 37.784 38.487 -0.203 0.000 0.961 250 N HN 0.386 nan 8.380 nan 0.000 0.446 251 T N -2.911 111.515 114.554 -0.213 0.000 3.174 251 T HA 0.332 4.680 4.350 -0.003 0.000 0.269 251 T C 1.453 176.223 174.700 0.116 0.000 1.017 251 T CA -0.505 61.507 62.100 -0.148 0.000 0.899 251 T CB -0.342 68.446 68.868 -0.133 0.000 1.077 251 T HN 0.037 nan 8.240 nan 0.000 0.552 252 L N 0.337 121.678 121.223 0.197 0.000 2.068 252 L HA 0.115 4.453 4.340 -0.003 0.000 0.204 252 L C 2.942 179.974 176.870 0.271 0.000 1.076 252 L CA 1.319 56.290 54.840 0.217 0.000 0.753 252 L CB -0.497 41.629 42.059 0.113 0.000 0.910 252 L HN 0.571 nan 8.230 nan 0.000 0.439 253 W N 0.727 122.084 121.300 0.096 0.000 2.308 253 W HA -0.242 4.416 4.660 -0.003 0.000 0.301 253 W C 1.755 178.356 176.519 0.138 0.000 1.220 253 W CA 0.793 58.199 57.345 0.101 0.000 1.240 253 W CB -1.534 27.972 29.460 0.077 0.000 1.142 253 W HN 0.165 nan 8.180 nan 0.000 0.521 254 L N -0.054 120.689 121.223 -0.800 0.000 2.081 254 L HA -0.283 4.055 4.340 -0.003 0.000 0.212 254 L C 2.660 179.354 176.870 -0.294 0.000 1.080 254 L CA 1.990 56.423 54.840 -0.678 0.000 0.754 254 L CB -1.198 40.564 42.059 -0.495 0.000 0.893 254 L HN -0.083 nan 8.230 nan 0.000 0.433 255 Y N -0.923 119.314 120.300 -0.105 0.000 2.373 255 Y HA -0.206 4.342 4.550 -0.003 0.000 0.293 255 Y C 2.224 178.049 175.900 -0.124 0.000 1.129 255 Y CA 0.656 58.671 58.100 -0.142 0.000 1.226 255 Y CB -0.244 38.104 38.460 -0.187 0.000 1.000 255 Y HN 0.084 nan 8.280 nan 0.000 0.549 256 L N -0.102 121.171 121.223 0.083 0.000 1.994 256 L HA -0.193 4.145 4.340 -0.003 0.000 0.208 256 L C 2.037 178.941 176.870 0.057 0.000 1.071 256 L CA 1.546 56.437 54.840 0.085 0.000 0.745 256 L CB -0.987 41.163 42.059 0.152 0.000 0.892 256 L HN 0.074 nan 8.230 nan 0.000 0.431 257 I N -0.256 120.351 120.570 0.062 0.000 2.065 257 I HA -0.347 3.821 4.170 -0.003 0.000 0.236 257 I C 2.627 178.739 176.117 -0.008 0.000 1.028 257 I CA 1.911 63.267 61.300 0.092 0.000 1.299 257 I CB -1.603 36.498 38.000 0.168 0.000 1.015 257 I HN 0.388 nan 8.210 nan 0.000 0.396 258 L N 1.126 122.146 121.223 -0.337 0.000 2.137 258 L HA -0.181 4.158 4.340 -0.003 0.000 0.213 258 L C 2.320 179.205 176.870 0.026 0.000 1.085 258 L CA 2.314 56.872 54.840 -0.471 0.000 0.760 258 L CB -0.938 40.596 42.059 -0.874 0.000 0.893 258 L HN 0.294 nan 8.230 nan 0.000 0.434 259 G N -0.482 108.323 108.800 0.008 0.000 2.394 259 G HA2 -0.196 3.762 3.960 -0.003 0.000 0.215 259 G HA3 -0.196 3.762 3.960 -0.003 0.000 0.215 259 G C 1.544 176.524 174.900 0.133 0.000 1.165 259 G CA 0.946 46.084 45.100 0.065 0.000 0.784 259 G HN 0.496 nan 8.290 nan 0.000 0.535 260 I N 0.551 121.185 120.570 0.107 0.000 2.286 260 I HA -0.139 4.029 4.170 -0.003 0.000 0.248 260 I C 2.599 178.799 176.117 0.138 0.000 1.115 260 I CA 0.706 62.078 61.300 0.121 0.000 1.392 260 I CB -0.220 37.855 38.000 0.125 0.000 1.065 260 I HN 0.151 nan 8.210 nan 0.000 0.418 261 I N 0.177 120.828 120.570 0.135 0.000 2.163 261 I HA -0.285 3.883 4.170 -0.003 0.000 0.240 261 I C 2.397 178.576 176.117 0.102 0.000 1.081 261 I CA 1.691 63.046 61.300 0.091 0.000 1.353 261 I CB -0.361 37.659 38.000 0.033 0.000 1.054 261 I HN 0.053 nan 8.210 nan 0.000 0.407 262 F N 1.023 120.997 119.950 0.039 0.000 2.250 262 F HA -0.164 4.361 4.527 -0.003 0.000 0.301 262 F C 2.465 178.328 175.800 0.105 0.000 1.077 262 F CA 1.526 59.576 58.000 0.083 0.000 1.348 262 F CB -0.878 38.133 39.000 0.018 0.000 1.040 262 F HN 0.052 nan 8.300 nan 0.000 0.509 263 G N 0.240 109.186 108.800 0.243 0.000 2.448 263 G HA2 -0.162 3.796 3.960 -0.003 0.000 0.218 263 G HA3 -0.162 3.796 3.960 -0.003 0.000 0.218 263 G C 1.620 176.594 174.900 0.123 0.000 1.135 263 G CA 0.985 46.172 45.100 0.145 0.000 0.784 263 G HN 0.537 nan 8.290 nan 0.000 0.543 264 I N -3.447 117.208 120.570 0.142 0.000 2.585 264 I HA 0.327 4.495 4.170 -0.003 0.000 0.254 264 I C 2.309 178.498 176.117 0.120 0.000 1.129 264 I CA 0.358 61.732 61.300 0.123 0.000 1.455 264 I CB -0.211 37.867 38.000 0.130 0.000 1.111 264 I HN 0.001 nan 8.210 nan 0.000 0.433 265 F N 2.904 122.849 119.950 -0.008 0.000 2.661 265 F HA 0.306 4.831 4.527 -0.003 0.000 0.298 265 F C 2.055 177.827 175.800 -0.045 0.000 1.137 265 F CA 0.516 58.481 58.000 -0.058 0.000 1.454 265 F CB -0.287 38.656 39.000 -0.096 0.000 1.103 265 F HN 0.070 nan 8.300 nan 0.000 0.577 266 G N 1.990 110.803 108.800 0.021 0.000 2.552 266 G HA2 -0.232 3.726 3.960 -0.003 0.000 0.216 266 G HA3 -0.232 3.726 3.960 -0.003 0.000 0.216 266 G C -0.522 174.303 174.900 -0.125 0.000 1.240 266 G CA 1.011 46.105 45.100 -0.010 0.000 0.796 266 G HN 0.312 nan 8.290 nan 0.000 0.568 267 P HA -0.088 nan 4.420 nan 0.000 0.215 267 P C 2.100 179.267 177.300 -0.222 0.000 1.157 267 P CA 1.087 64.129 63.100 -0.096 0.000 0.868 267 P CB -0.118 31.561 31.700 -0.035 0.000 0.788 268 I N -1.015 119.358 120.570 -0.329 0.000 2.068 268 I HA -0.298 3.870 4.170 -0.003 0.000 0.238 268 I C 2.570 178.087 176.117 -1.001 0.000 1.046 268 I CA 1.818 62.783 61.300 -0.558 0.000 1.306 268 I CB -0.947 36.705 38.000 -0.580 0.000 1.023 268 I HN -0.162 nan 8.210 nan 0.000 0.399 269 F N 1.826 120.957 119.950 -1.365 0.000 2.236 269 F HA -0.260 4.265 4.527 -0.003 0.000 0.302 269 F C 2.118 177.607 175.800 -0.518 0.000 1.073 269 F CA 1.879 59.168 58.000 -1.185 0.000 1.336 269 F CB -0.637 37.740 39.000 -1.038 0.000 1.040 269 F HN 0.131 nan 8.300 nan 0.000 0.507 270 N N -0.260 118.256 118.700 -0.307 0.000 2.142 270 N HA -0.177 4.562 4.740 -0.003 0.000 0.186 270 N C 1.745 177.170 175.510 -0.140 0.000 1.023 270 N CA 1.103 54.061 53.050 -0.152 0.000 0.852 270 N CB -0.036 38.417 38.487 -0.057 0.000 0.998 270 N HN 0.298 nan 8.380 nan 0.000 0.424 271 K N 0.511 120.824 120.400 -0.146 0.000 1.987 271 K HA -0.182 4.136 4.320 -0.003 0.000 0.216 271 K C 1.841 178.501 176.600 0.100 0.000 1.051 271 K CA 1.489 57.777 56.287 0.001 0.000 0.942 271 K CB -0.298 32.241 32.500 0.066 0.000 0.722 271 K HN 0.239 nan 8.250 nan 0.000 0.444 272 W N 0.824 122.016 121.300 -0.181 0.000 2.292 272 W HA -0.237 4.421 4.660 -0.003 0.000 0.330 272 W C 2.284 178.664 176.519 -0.233 0.000 1.264 272 W CA 0.449 57.667 57.345 -0.212 0.000 1.235 272 W CB -1.581 27.707 29.460 -0.287 0.000 1.164 272 W HN -0.014 nan 8.180 nan 0.000 0.461 273 V N 0.551 120.380 119.914 -0.143 0.000 2.277 273 V HA -0.328 3.790 4.120 -0.003 0.000 0.253 273 V C 2.204 178.294 176.094 -0.007 0.000 1.067 273 V CA 2.272 64.503 62.300 -0.115 0.000 1.047 273 V CB -0.899 30.832 31.823 -0.154 0.000 0.649 273 V HN 0.095 nan 8.190 nan 0.000 0.447 274 L N 0.718 121.936 121.223 -0.008 0.000 1.938 274 L HA 0.131 4.469 4.340 -0.003 0.000 0.212 274 L C 2.684 179.561 176.870 0.012 0.000 1.085 274 L CA 2.546 57.388 54.840 0.004 0.000 0.760 274 L CB -1.810 40.253 42.059 0.006 0.000 0.888 274 L HN 0.372 nan 8.230 nan 0.000 0.433 275 G N -0.941 107.877 108.800 0.030 0.000 2.574 275 G HA2 -0.420 3.538 3.960 -0.003 0.000 0.220 275 G HA3 -0.420 3.538 3.960 -0.003 0.000 0.220 275 G C 1.612 176.522 174.900 0.017 0.000 1.173 275 G CA 1.411 46.527 45.100 0.026 0.000 0.772 275 G HN 0.368 nan 8.290 nan 0.000 0.585 276 M N 1.651 121.263 119.600 0.021 0.000 2.192 276 M HA -0.187 4.291 4.480 -0.003 0.000 0.259 276 M C 2.657 178.974 176.300 0.029 0.000 1.071 276 M CA 2.318 57.626 55.300 0.014 0.000 1.082 276 M CB -0.518 32.094 32.600 0.019 0.000 1.373 276 M HN 0.636 nan 8.290 nan 0.000 0.408 277 Q N -2.045 117.770 119.800 0.025 0.000 2.378 277 Q HA -0.099 4.239 4.340 -0.003 0.000 0.205 277 Q C 0.960 176.993 176.000 0.056 0.000 0.954 277 Q CA 1.228 57.054 55.803 0.039 0.000 0.901 277 Q CB -0.250 28.478 28.738 -0.016 0.000 0.981 277 Q HN 0.445 nan 8.270 nan 0.000 0.483 278 D N 1.812 122.229 120.400 0.028 0.000 2.165 278 D HA -0.093 4.546 4.640 -0.003 0.000 0.213 278 D C 1.943 178.262 176.300 0.032 0.000 0.983 278 D CA 0.703 54.721 54.000 0.030 0.000 0.881 278 D CB -0.345 40.461 40.800 0.010 0.000 1.028 278 D HN 0.212 nan 8.370 nan 0.000 0.457 279 L N 0.697 121.923 121.223 0.005 0.000 2.456 279 L HA -0.138 4.201 4.340 -0.003 0.000 0.225 279 L C 1.822 178.674 176.870 -0.029 0.000 1.142 279 L CA 0.719 55.546 54.840 -0.021 0.000 0.796 279 L CB 0.021 42.063 42.059 -0.027 0.000 0.920 279 L HN 0.018 nan 8.230 nan 0.000 0.446 280 L N -1.974 119.257 121.223 0.013 0.000 2.556 280 L HA -0.049 4.289 4.340 -0.003 0.000 0.226 280 L C 2.121 178.970 176.870 -0.035 0.000 1.089 280 L CA 0.014 54.873 54.840 0.033 0.000 0.864 280 L CB -0.141 41.994 42.059 0.126 0.000 1.067 280 L HN 0.285 nan 8.230 nan 0.000 0.477 281 H N 0.620 119.570 119.070 -0.201 0.000 2.389 281 H HA -0.106 4.448 4.556 -0.003 0.000 0.299 281 H C 2.146 176.945 175.328 -0.882 0.000 1.081 281 H CA 1.604 57.346 56.048 -0.510 0.000 1.345 281 H CB 0.217 29.857 29.762 -0.203 0.000 1.393 281 H HN 0.072 nan 8.280 nan 0.000 0.520 282 R N -0.322 119.883 120.500 -0.491 0.000 2.147 282 R HA -0.149 4.189 4.340 -0.003 0.000 0.225 282 R C 2.437 178.401 176.300 -0.559 0.000 1.120 282 R CA 1.939 57.763 56.100 -0.460 0.000 0.891 282 R CB -1.044 29.111 30.300 -0.242 0.000 0.822 282 R HN 0.129 nan 8.270 nan 0.000 0.433 283 V N 1.594 121.274 119.914 -0.390 0.000 2.329 283 V HA -0.387 3.731 4.120 -0.003 0.000 0.265 283 V C 2.162 178.063 176.094 -0.322 0.000 1.119 283 V CA 2.512 64.642 62.300 -0.283 0.000 1.110 283 V CB -1.045 30.690 31.823 -0.146 0.000 0.735 283 V HN 0.649 nan 8.190 nan 0.000 0.455 284 H N -1.963 116.869 119.070 -0.397 0.000 2.885 284 H HA 0.331 4.885 4.556 -0.003 0.000 0.260 284 H C 1.968 177.032 175.328 -0.441 0.000 0.985 284 H CA 1.076 56.864 56.048 -0.433 0.000 1.210 284 H CB 0.459 29.818 29.762 -0.672 0.000 1.466 284 H HN 0.482 nan 8.280 nan 0.000 0.493 285 G N 1.024 109.309 108.800 -0.858 0.000 2.562 285 G HA2 -0.364 3.594 3.960 -0.003 0.000 0.241 285 G HA3 -0.364 3.594 3.960 -0.003 0.000 0.241 285 G C 1.254 175.794 174.900 -0.601 0.000 1.120 285 G CA 1.314 46.012 45.100 -0.670 0.000 0.673 285 G HN 1.281 nan 8.290 nan 0.000 0.519 286 G N -0.757 107.875 108.800 -0.280 0.000 3.288 286 G HA2 0.061 4.019 3.960 -0.003 0.000 0.219 286 G HA3 0.061 4.019 3.960 -0.003 0.000 0.219 286 G C -0.136 174.844 174.900 0.134 0.000 0.944 286 G CA 0.678 45.793 45.100 0.024 0.000 0.854 286 G HN 1.340 nan 8.290 nan 0.000 0.632 287 N N 1.049 119.774 118.700 0.042 0.000 2.483 287 N HA 0.299 5.037 4.740 -0.003 0.000 0.264 287 N C 1.575 177.192 175.510 0.178 0.000 1.197 287 N CA 0.052 53.150 53.050 0.079 0.000 0.927 287 N CB 0.519 39.013 38.487 0.011 0.000 1.065 287 N HN 0.172 nan 8.380 nan 0.000 0.461 288 I N 2.406 123.085 120.570 0.181 0.000 2.264 288 I HA -0.281 3.887 4.170 -0.003 0.000 0.248 288 I C 1.199 177.393 176.117 0.129 0.000 1.111 288 I CA 1.267 62.691 61.300 0.207 0.000 1.382 288 I CB 0.004 38.084 38.000 0.134 0.000 1.060 288 I HN 0.638 nan 8.210 nan 0.000 0.418 289 T N 0.207 114.790 114.554 0.048 0.000 3.023 289 T HA -0.087 4.261 4.350 -0.003 0.000 0.266 289 T C 1.760 176.471 174.700 0.020 0.000 1.093 289 T CA 0.752 62.851 62.100 -0.003 0.000 1.129 289 T CB -0.018 68.831 68.868 -0.032 0.000 0.899 289 T HN 0.313 nan 8.240 nan 0.000 0.491 290 K N -0.450 119.975 120.400 0.042 0.000 2.366 290 K HA 0.006 4.324 4.320 -0.003 0.000 0.198 290 K C 1.662 178.293 176.600 0.051 0.000 1.044 290 K CA 0.345 56.645 56.287 0.022 0.000 0.973 290 K CB 0.111 32.607 32.500 -0.008 0.000 0.767 290 K HN 0.329 nan 8.250 nan 0.000 0.475 291 W N 0.806 122.070 121.300 -0.060 0.000 2.681 291 W HA -0.060 4.598 4.660 -0.003 0.000 0.311 291 W C 1.887 178.249 176.519 -0.261 0.000 1.100 291 W CA 0.117 57.339 57.345 -0.206 0.000 1.504 291 W CB -0.841 28.490 29.460 -0.214 0.000 1.201 291 W HN -0.328 nan 8.180 nan 0.000 0.488 292 V N 1.733 121.722 119.914 0.125 0.000 2.353 292 V HA -0.364 3.754 4.120 -0.003 0.000 0.260 292 V C 2.328 178.373 176.094 -0.081 0.000 1.091 292 V CA 2.038 64.331 62.300 -0.013 0.000 1.088 292 V CB -1.163 30.643 31.823 -0.029 0.000 0.672 292 V HN 0.172 nan 8.190 nan 0.000 0.455 293 L N -1.670 119.526 121.223 -0.045 0.000 2.068 293 L HA -0.115 4.223 4.340 -0.003 0.000 0.204 293 L C 2.393 179.230 176.870 -0.055 0.000 1.076 293 L CA 1.767 56.588 54.840 -0.032 0.000 0.753 293 L CB -0.401 41.651 42.059 -0.011 0.000 0.910 293 L HN 0.327 nan 8.230 nan 0.000 0.439 294 M N -0.213 119.347 119.600 -0.066 0.000 2.549 294 M HA -0.086 4.392 4.480 -0.003 0.000 0.260 294 M C 1.758 177.924 176.300 -0.223 0.000 1.076 294 M CA 1.280 56.539 55.300 -0.069 0.000 1.090 294 M CB -0.239 32.353 32.600 -0.013 0.000 1.418 294 M HN 0.274 nan 8.290 nan 0.000 0.486 295 G N -0.237 108.276 108.800 -0.478 0.000 2.605 295 G HA2 -0.122 3.836 3.960 -0.003 0.000 0.215 295 G HA3 -0.122 3.836 3.960 -0.003 0.000 0.215 295 G C 1.229 175.956 174.900 -0.289 0.000 1.279 295 G CA 0.566 45.032 45.100 -1.056 0.000 0.831 295 G HN 0.540 nan 8.290 nan 0.000 0.560 296 G N 0.705 109.435 108.800 -0.116 0.000 2.615 296 G HA2 0.163 4.121 3.960 -0.003 0.000 0.213 296 G HA3 0.163 4.121 3.960 -0.003 0.000 0.213 296 G C 1.611 176.443 174.900 -0.112 0.000 1.135 296 G CA 1.452 46.519 45.100 -0.055 0.000 0.772 296 G HN 0.675 nan 8.290 nan 0.000 0.542 297 A N 1.034 123.826 122.820 -0.046 0.000 1.835 297 A HA 0.166 4.484 4.320 -0.003 0.000 0.213 297 A C 2.279 179.856 177.584 -0.010 0.000 1.210 297 A CA 1.012 53.082 52.037 0.054 0.000 0.605 297 A CB -0.261 18.777 19.000 0.064 0.000 0.860 297 A HN 0.318 nan 8.150 nan 0.000 0.447 298 I N 0.130 120.700 120.570 -0.000 0.000 2.361 298 I HA -0.142 4.026 4.170 -0.003 0.000 0.251 298 I C 2.552 178.664 176.117 -0.009 0.000 1.133 298 I CA 0.889 62.210 61.300 0.034 0.000 1.413 298 I CB -0.904 37.154 38.000 0.096 0.000 1.073 298 I HN 0.390 nan 8.210 nan 0.000 0.424 299 G N 1.365 110.142 108.800 -0.038 0.000 2.575 299 G HA2 -0.183 3.776 3.960 -0.003 0.000 0.215 299 G HA3 -0.183 3.776 3.960 -0.003 0.000 0.215 299 G C 1.759 176.502 174.900 -0.261 0.000 1.262 299 G CA 0.862 45.920 45.100 -0.069 0.000 0.807 299 G HN 0.433 nan 8.290 nan 0.000 0.567 300 G N 0.718 109.154 108.800 -0.607 0.000 2.550 300 G HA2 -0.258 3.700 3.960 -0.003 0.000 0.222 300 G HA3 -0.258 3.700 3.960 -0.003 0.000 0.222 300 G C 1.780 176.256 174.900 -0.707 0.000 1.113 300 G CA 1.430 45.796 45.100 -1.224 0.000 0.748 300 G HN 0.484 nan 8.290 nan 0.000 0.585 301 L N 0.669 121.681 121.223 -0.352 0.000 1.989 301 L HA -0.079 4.259 4.340 -0.003 0.000 0.211 301 L C 2.856 179.734 176.870 0.013 0.000 1.071 301 L CA 2.046 56.889 54.840 0.005 0.000 0.749 301 L CB -1.151 40.948 42.059 0.066 0.000 0.890 301 L HN 0.259 nan 8.230 nan 0.000 0.431 302 C N 0.506 119.797 119.300 -0.015 0.000 2.393 302 C HA -0.142 4.316 4.460 -0.003 0.000 0.276 302 C C 2.780 177.781 174.990 0.018 0.000 1.215 302 C CA 0.971 59.998 59.018 0.015 0.000 1.743 302 C CB -2.085 25.665 27.740 0.015 0.000 2.044 302 C HN 0.795 nan 8.230 nan 0.000 0.464 303 G N -0.501 108.285 108.800 -0.024 0.000 2.479 303 G HA2 -0.186 3.772 3.960 -0.003 0.000 0.220 303 G HA3 -0.186 3.772 3.960 -0.003 0.000 0.220 303 G C 1.509 176.438 174.900 0.048 0.000 1.115 303 G CA 0.725 45.822 45.100 -0.004 0.000 0.757 303 G HN 0.508 nan 8.290 nan 0.000 0.560 304 L N -0.137 121.130 121.223 0.072 0.000 2.068 304 L HA 0.248 4.586 4.340 -0.003 0.000 0.204 304 L C 2.695 179.669 176.870 0.172 0.000 1.076 304 L CA 0.875 55.800 54.840 0.141 0.000 0.753 304 L CB -0.155 42.015 42.059 0.185 0.000 0.910 304 L HN 0.147 nan 8.230 nan 0.000 0.439 305 L N -0.636 120.668 121.223 0.134 0.000 2.265 305 L HA -0.102 4.237 4.340 -0.003 0.000 0.215 305 L C 1.710 178.659 176.870 0.132 0.000 1.117 305 L CA 0.829 55.747 54.840 0.130 0.000 0.782 305 L CB -0.928 41.188 42.059 0.095 0.000 0.914 305 L HN 0.415 nan 8.230 nan 0.000 0.441 306 G N -1.878 107.002 108.800 0.133 0.000 3.414 306 G HA2 0.025 3.984 3.960 -0.003 0.000 0.258 306 G HA3 0.025 3.984 3.960 -0.003 0.000 0.258 306 G C 0.347 175.395 174.900 0.247 0.000 1.348 306 G CA -0.074 45.109 45.100 0.139 0.000 1.319 306 G HN 0.368 nan 8.290 nan 0.000 0.555 307 F N -0.485 119.495 119.950 0.050 0.000 3.250 307 F HA 0.077 4.602 4.527 -0.003 0.000 0.380 307 F C 0.824 176.670 175.800 0.077 0.000 1.184 307 F CA 0.260 58.291 58.000 0.051 0.000 0.890 307 F CB 0.387 39.403 39.000 0.026 0.000 1.634 307 F HN 0.153 nan 8.300 nan 0.000 0.499 308 V N -1.410 118.559 119.914 0.091 0.000 3.392 308 V HA 0.887 5.005 4.120 -0.003 0.000 0.294 308 V C 0.234 176.382 176.094 0.090 0.000 1.561 308 V CA 0.435 62.771 62.300 0.060 0.000 1.056 308 V CB 0.291 32.210 31.823 0.160 0.000 0.882 308 V HN 0.798 nan 8.190 nan 0.000 0.440 309 A N 0.081 122.962 122.820 0.101 0.000 1.778 309 A HA 0.459 4.777 4.320 -0.003 0.000 0.236 309 A C -2.208 175.434 177.584 0.096 0.000 2.310 309 A CA 0.241 52.365 52.037 0.145 0.000 2.051 309 A CB -0.634 18.524 19.000 0.264 0.000 0.492 309 A HN 0.222 nan 8.150 nan 0.000 0.946 310 P HA -0.156 nan 4.420 nan 0.000 0.218 310 P C 1.797 179.114 177.300 0.028 0.000 1.146 310 P CA 2.011 65.149 63.100 0.062 0.000 0.813 310 P CB 0.294 32.038 31.700 0.074 0.000 0.778 311 A N -0.686 122.134 122.820 0.000 0.000 2.067 311 A HA -0.154 4.164 4.320 -0.003 0.000 0.219 311 A C 2.141 179.640 177.584 -0.142 0.000 1.158 311 A CA 2.125 54.116 52.037 -0.076 0.000 0.661 311 A CB -1.641 17.250 19.000 -0.183 0.000 0.801 311 A HN 0.345 nan 8.150 nan 0.000 0.452 312 T N -3.720 110.747 114.554 -0.145 0.000 2.976 312 T HA 0.095 4.443 4.350 -0.003 0.000 0.257 312 T C 1.503 176.167 174.700 -0.061 0.000 1.051 312 T CA 1.093 63.091 62.100 -0.170 0.000 1.141 312 T CB -0.336 68.435 68.868 -0.163 0.000 0.881 312 T HN 0.276 nan 8.240 nan 0.000 0.461 313 S N -0.218 115.474 115.700 -0.014 0.000 2.481 313 S HA 0.568 5.036 4.470 -0.003 0.000 0.267 313 S C 1.197 175.801 174.600 0.007 0.000 1.174 313 S CA 0.208 58.416 58.200 0.013 0.000 1.027 313 S CB -0.045 63.178 63.200 0.038 0.000 1.117 313 S HN 1.234 nan 8.310 nan 0.000 0.495 314 G N 0.000 108.809 108.800 0.014 0.000 2.681 314 G HA2 -0.188 3.770 3.960 -0.003 0.000 0.320 314 G HA3 -0.188 3.770 3.960 -0.003 0.000 0.320 314 G C 0.957 175.841 174.900 -0.026 0.000 1.339 314 G CA 0.179 45.280 45.100 0.002 0.000 0.916 314 G HN 1.433 nan 8.290 nan 0.000 0.559 315 G N -1.429 107.339 108.800 -0.054 0.000 2.432 315 G HA2 0.340 4.299 3.960 -0.003 0.000 0.219 315 G HA3 0.340 4.299 3.960 -0.003 0.000 0.219 315 G C 2.082 176.873 174.900 -0.181 0.000 1.135 315 G CA 2.105 47.116 45.100 -0.149 0.000 0.767 315 G HN 2.694 nan 8.290 nan 0.000 0.550 316 G N -0.569 108.193 108.800 -0.063 0.000 2.284 316 G HA2 -0.332 3.627 3.960 -0.003 0.000 0.230 316 G HA3 -0.332 3.627 3.960 -0.003 0.000 0.230 316 G C 1.249 176.208 174.900 0.099 0.000 1.021 316 G CA 0.538 45.632 45.100 -0.009 0.000 0.619 316 G HN 0.416 nan 8.290 nan 0.000 0.510 317 F N 2.434 122.379 119.950 -0.009 0.000 2.024 317 F HA -0.281 4.244 4.527 -0.003 0.000 0.296 317 F C 2.912 178.716 175.800 0.006 0.000 1.137 317 F CA 2.249 60.234 58.000 -0.025 0.000 1.200 317 F CB -0.590 38.372 39.000 -0.063 0.000 0.954 317 F HN 0.536 nan 8.300 nan 0.000 0.497 318 N N 1.555 120.405 118.700 0.251 0.000 2.242 318 N HA -0.260 4.478 4.740 -0.003 0.000 0.193 318 N C 1.342 176.938 175.510 0.143 0.000 1.000 318 N CA 1.705 54.842 53.050 0.145 0.000 0.885 318 N CB -0.834 37.725 38.487 0.120 0.000 0.988 318 N HN 0.493 nan 8.380 nan 0.000 0.444 319 L N -2.940 118.394 121.223 0.187 0.000 2.607 319 L HA 0.400 4.738 4.340 -0.003 0.000 0.228 319 L C 1.732 178.748 176.870 0.243 0.000 1.123 319 L CA 0.070 55.069 54.840 0.265 0.000 0.890 319 L CB -0.043 42.219 42.059 0.339 0.000 1.103 319 L HN 0.012 nan 8.230 nan 0.000 0.468 320 I N 0.605 121.279 120.570 0.173 0.000 2.202 320 I HA -0.074 4.094 4.170 -0.003 0.000 0.242 320 I C -0.188 175.977 176.117 0.080 0.000 1.091 320 I CA 1.076 62.458 61.300 0.136 0.000 1.368 320 I CB -1.286 36.788 38.000 0.124 0.000 1.058 320 I HN 0.260 nan 8.210 nan 0.000 0.410 321 P HA -0.160 nan 4.420 nan 0.000 0.211 321 P C 1.907 179.181 177.300 -0.043 0.000 1.179 321 P CA 1.603 64.700 63.100 -0.005 0.000 0.910 321 P CB -0.019 31.671 31.700 -0.017 0.000 0.785 322 I N -0.740 119.776 120.570 -0.090 0.000 2.229 322 I HA -0.345 3.823 4.170 -0.003 0.000 0.250 322 I C 2.260 178.152 176.117 -0.375 0.000 1.096 322 I CA 1.823 62.939 61.300 -0.307 0.000 1.358 322 I CB -0.915 36.806 38.000 -0.464 0.000 1.047 322 I HN -0.053 nan 8.210 nan 0.000 0.422 323 A N 0.610 123.393 122.820 -0.062 0.000 1.873 323 A HA -0.179 4.139 4.320 -0.003 0.000 0.215 323 A C 2.404 180.025 177.584 0.061 0.000 1.186 323 A CA 2.353 54.473 52.037 0.137 0.000 0.616 323 A CB -1.110 18.065 19.000 0.293 0.000 0.823 323 A HN 0.427 nan 8.150 nan 0.000 0.442 324 T N 0.660 115.239 114.554 0.042 0.000 2.788 324 T HA -0.039 4.309 4.350 -0.003 0.000 0.268 324 T C 2.145 176.856 174.700 0.018 0.000 1.044 324 T CA 1.502 63.628 62.100 0.043 0.000 1.139 324 T CB -0.532 68.354 68.868 0.030 0.000 0.867 324 T HN 0.594 nan 8.240 nan 0.000 0.454 325 A N 0.952 123.754 122.820 -0.029 0.000 1.978 325 A HA 0.286 4.604 4.320 -0.003 0.000 0.220 325 A C 2.219 179.785 177.584 -0.031 0.000 1.170 325 A CA 1.692 53.704 52.037 -0.042 0.000 0.636 325 A CB -1.126 17.822 19.000 -0.087 0.000 0.810 325 A HN 1.085 nan 8.150 nan 0.000 0.448 326 G N -1.497 107.280 108.800 -0.038 0.000 2.134 326 G HA2 -0.253 3.705 3.960 -0.003 0.000 0.209 326 G HA3 -0.253 3.705 3.960 -0.003 0.000 0.209 326 G C 0.456 175.329 174.900 -0.045 0.000 0.993 326 G CA 0.553 45.649 45.100 -0.007 0.000 0.669 326 G HN 0.595 nan 8.290 nan 0.000 0.519 327 N N -0.934 117.673 118.700 -0.156 0.000 2.331 327 N HA 0.079 4.817 4.740 -0.003 0.000 0.180 327 N C 0.262 175.681 175.510 -0.152 0.000 1.019 327 N CA 0.462 53.383 53.050 -0.216 0.000 0.881 327 N CB -0.018 38.242 38.487 -0.378 0.000 0.972 327 N HN 0.354 nan 8.380 nan 0.000 0.435 328 F N 1.361 121.329 119.950 0.029 0.000 2.384 328 F HA 0.169 4.694 4.527 -0.003 0.000 0.338 328 F C 1.136 176.951 175.800 0.025 0.000 1.103 328 F CA -1.602 56.419 58.000 0.035 0.000 1.157 328 F CB 0.721 39.747 39.000 0.042 0.000 1.167 328 F HN -0.134 nan 8.300 nan 0.000 0.529 329 S N 2.658 118.501 115.700 0.238 0.000 2.614 329 S HA 0.205 4.674 4.470 -0.003 0.000 0.265 329 S C 1.136 175.797 174.600 0.101 0.000 1.303 329 S CA -0.775 57.499 58.200 0.122 0.000 1.000 329 S CB 0.800 64.053 63.200 0.088 0.000 0.935 329 S HN 0.737 nan 8.310 nan 0.000 0.551 330 M N 2.232 121.862 119.600 0.049 0.000 2.149 330 M HA 0.053 4.531 4.480 -0.003 0.000 0.261 330 M C 1.816 178.134 176.300 0.031 0.000 1.064 330 M CA 2.197 57.510 55.300 0.021 0.000 1.102 330 M CB -1.453 31.139 32.600 -0.014 0.000 1.369 330 M HN 0.916 nan 8.290 nan 0.000 0.408 331 G N -0.030 108.793 108.800 0.039 0.000 2.484 331 G HA2 -0.276 3.682 3.960 -0.003 0.000 0.215 331 G HA3 -0.276 3.682 3.960 -0.003 0.000 0.215 331 G C 1.444 176.395 174.900 0.086 0.000 1.219 331 G CA 1.173 46.300 45.100 0.046 0.000 0.791 331 G HN 0.520 nan 8.290 nan 0.000 0.550 332 M N 0.465 120.122 119.600 0.094 0.000 2.260 332 M HA 0.033 4.511 4.480 -0.003 0.000 0.261 332 M C 2.232 178.550 176.300 0.030 0.000 1.066 332 M CA 1.147 56.515 55.300 0.113 0.000 1.082 332 M CB -0.379 32.286 32.600 0.109 0.000 1.388 332 M HN 0.225 nan 8.290 nan 0.000 0.419 333 L N -1.791 119.447 121.223 0.025 0.000 1.988 333 L HA -0.184 4.154 4.340 -0.003 0.000 0.207 333 L C 2.269 179.148 176.870 0.015 0.000 1.071 333 L CA 1.128 55.954 54.840 -0.024 0.000 0.744 333 L CB -0.965 41.104 42.059 0.016 0.000 0.893 333 L HN 0.095 nan 8.230 nan 0.000 0.433 334 V N -0.008 119.940 119.914 0.057 0.000 2.380 334 V HA -0.363 3.756 4.120 -0.003 0.000 0.251 334 V C 2.188 178.392 176.094 0.184 0.000 1.063 334 V CA 2.188 64.559 62.300 0.118 0.000 1.055 334 V CB -0.679 31.201 31.823 0.094 0.000 0.657 334 V HN 0.397 nan 8.190 nan 0.000 0.455 335 F N 0.601 120.561 119.950 0.016 0.000 2.046 335 F HA -0.236 4.289 4.527 -0.003 0.000 0.297 335 F C 2.263 178.067 175.800 0.006 0.000 1.123 335 F CA 2.109 60.112 58.000 0.005 0.000 1.199 335 F CB -0.167 38.817 39.000 -0.027 0.000 0.972 335 F HN 0.049 nan 8.300 nan 0.000 0.474 336 I N -0.301 120.058 120.570 -0.351 0.000 2.248 336 I HA -0.314 3.855 4.170 -0.003 0.000 0.248 336 I C 2.255 178.262 176.117 -0.182 0.000 1.107 336 I CA 1.201 62.221 61.300 -0.465 0.000 1.373 336 I CB -0.688 37.081 38.000 -0.386 0.000 1.055 336 I HN 0.268 nan 8.210 nan 0.000 0.418 337 F N 1.616 121.444 119.950 -0.203 0.000 1.997 337 F HA -0.219 4.306 4.527 -0.003 0.000 0.296 337 F C 2.450 178.198 175.800 -0.086 0.000 1.160 337 F CA 1.725 59.643 58.000 -0.136 0.000 1.176 337 F CB -0.928 37.999 39.000 -0.122 0.000 0.964 337 F HN -0.246 nan 8.300 nan 0.000 0.484 338 V N 1.045 120.916 119.914 -0.071 0.000 2.233 338 V HA -0.427 3.691 4.120 -0.003 0.000 0.252 338 V C 2.745 178.768 176.094 -0.119 0.000 1.063 338 V CA 2.535 64.763 62.300 -0.120 0.000 1.032 338 V CB -1.823 30.029 31.823 0.048 0.000 0.645 338 V HN 0.603 nan 8.190 nan 0.000 0.446 339 A N -0.215 122.504 122.820 -0.169 0.000 1.896 339 A HA -0.333 3.985 4.320 -0.003 0.000 0.220 339 A C 2.329 179.831 177.584 -0.136 0.000 1.206 339 A CA 2.633 54.544 52.037 -0.209 0.000 0.647 339 A CB -0.635 18.020 19.000 -0.574 0.000 0.828 339 A HN 0.589 nan 8.150 nan 0.000 0.455 340 R N -1.013 119.391 120.500 -0.159 0.000 2.075 340 R HA -0.036 4.302 4.340 -0.003 0.000 0.232 340 R C 2.000 178.292 176.300 -0.014 0.000 1.126 340 R CA 1.254 57.308 56.100 -0.077 0.000 0.963 340 R CB -0.679 29.579 30.300 -0.070 0.000 0.858 340 R HN 0.404 nan 8.270 nan 0.000 0.435 341 V N 1.600 121.457 119.914 -0.095 0.000 2.546 341 V HA -0.271 3.847 4.120 -0.003 0.000 0.254 341 V C 2.146 178.374 176.094 0.222 0.000 1.076 341 V CA 1.715 64.054 62.300 0.066 0.000 1.087 341 V CB -0.456 31.315 31.823 -0.086 0.000 0.674 341 V HN 0.273 nan 8.190 nan 0.000 0.470 342 I N 0.251 120.878 120.570 0.096 0.000 2.490 342 I HA -0.143 4.025 4.170 -0.003 0.000 0.234 342 I C 2.813 178.988 176.117 0.097 0.000 1.066 342 I CA 1.541 62.894 61.300 0.088 0.000 1.405 342 I CB -0.958 37.066 38.000 0.040 0.000 1.191 342 I HN 0.416 nan 8.210 nan 0.000 0.433 343 T N -1.235 113.359 114.554 0.067 0.000 2.755 343 T HA -0.264 4.084 4.350 -0.003 0.000 0.266 343 T C 1.705 176.474 174.700 0.116 0.000 1.041 343 T CA 2.260 64.406 62.100 0.077 0.000 1.147 343 T CB -1.256 67.640 68.868 0.046 0.000 0.847 343 T HN 0.285 nan 8.240 nan 0.000 0.478 344 T N 2.463 117.102 114.554 0.142 0.000 2.588 344 T HA 0.062 4.410 4.350 -0.003 0.000 0.261 344 T C 1.945 176.788 174.700 0.237 0.000 1.069 344 T CA 1.541 63.762 62.100 0.202 0.000 1.172 344 T CB -0.614 68.428 68.868 0.290 0.000 0.863 344 T HN 0.330 nan 8.240 nan 0.000 0.408 345 L N 0.538 121.890 121.223 0.216 0.000 1.951 345 L HA -0.151 4.187 4.340 -0.003 0.000 0.222 345 L C 2.565 179.530 176.870 0.158 0.000 1.078 345 L CA 1.229 56.159 54.840 0.151 0.000 0.778 345 L CB -0.896 41.214 42.059 0.084 0.000 0.893 345 L HN 0.211 nan 8.230 nan 0.000 0.436 346 L N -0.501 120.798 121.223 0.126 0.000 2.103 346 L HA -0.298 4.040 4.340 -0.003 0.000 0.215 346 L C 2.348 179.313 176.870 0.159 0.000 1.080 346 L CA 1.934 56.846 54.840 0.120 0.000 0.764 346 L CB -0.642 41.475 42.059 0.096 0.000 0.890 346 L HN 0.364 nan 8.230 nan 0.000 0.435 347 C N -2.119 117.291 119.300 0.182 0.000 2.519 347 C HA 0.014 4.472 4.460 -0.003 0.000 0.281 347 C C 2.394 177.535 174.990 0.251 0.000 1.331 347 C CA 0.287 59.430 59.018 0.207 0.000 1.725 347 C CB -0.880 26.967 27.740 0.178 0.000 2.079 347 C HN 0.671 nan 8.230 nan 0.000 0.496 348 F N 2.081 122.089 119.950 0.096 0.000 2.053 348 F HA -0.052 4.473 4.527 -0.003 0.000 0.292 348 F C 2.529 178.379 175.800 0.083 0.000 1.125 348 F CA 1.992 60.037 58.000 0.076 0.000 1.193 348 F CB -0.933 38.110 39.000 0.072 0.000 0.996 348 F HN 0.029 nan 8.300 nan 0.000 0.470 349 S N -0.139 115.583 115.700 0.036 0.000 2.441 349 S HA -0.223 4.245 4.470 -0.003 0.000 0.242 349 S C 1.749 176.360 174.600 0.018 0.000 1.018 349 S CA 1.263 59.426 58.200 -0.061 0.000 0.988 349 S CB -1.002 62.229 63.200 0.052 0.000 0.778 349 S HN 0.535 nan 8.310 nan 0.000 0.498 350 S N 0.806 116.576 115.700 0.118 0.000 2.859 350 S HA 0.335 4.803 4.470 -0.003 0.000 0.245 350 S C 1.292 176.095 174.600 0.338 0.000 1.008 350 S CA 0.365 58.736 58.200 0.285 0.000 1.089 350 S CB -0.847 62.546 63.200 0.322 0.000 0.798 350 S HN 0.659 nan 8.310 nan 0.000 0.477 351 G N 0.623 109.473 108.800 0.083 0.000 2.280 351 G HA2 -0.249 3.709 3.960 -0.003 0.000 0.282 351 G HA3 -0.249 3.709 3.960 -0.003 0.000 0.282 351 G C 0.420 175.172 174.900 -0.248 0.000 1.000 351 G CA 0.252 45.300 45.100 -0.086 0.000 0.751 351 G HN 1.433 nan 8.290 nan 0.000 0.515 352 A N 0.659 123.343 122.820 -0.226 0.000 2.462 352 A HA 0.568 4.886 4.320 -0.003 0.000 0.243 352 A C -1.064 176.320 177.584 -0.334 0.000 1.076 352 A CA -0.603 51.083 52.037 -0.585 0.000 0.773 352 A CB 0.455 19.231 19.000 -0.373 0.000 1.010 352 A HN 0.260 nan 8.150 nan 0.000 0.493 353 P HA 0.292 nan 4.420 nan 0.000 0.268 353 P C 0.156 177.446 177.300 -0.016 0.000 1.485 353 P CA 0.760 63.769 63.100 -0.152 0.000 1.102 353 P CB 0.193 31.801 31.700 -0.154 0.000 1.501 354 G N 1.629 110.480 108.800 0.086 0.000 2.548 354 G HA2 0.612 4.570 3.960 -0.003 0.000 0.301 354 G HA3 0.612 4.570 3.960 -0.003 0.000 0.301 354 G C -1.144 173.922 174.900 0.276 0.000 1.349 354 G CA -0.509 44.694 45.100 0.173 0.000 0.792 354 G HN 0.466 nan 8.290 nan 0.000 0.481 355 G N -1.540 107.388 108.800 0.213 0.000 2.597 355 G HA2 0.566 4.524 3.960 -0.003 0.000 0.317 355 G HA3 0.566 4.524 3.960 -0.003 0.000 0.317 355 G C -0.063 174.765 174.900 -0.119 0.000 1.230 355 G CA -0.493 44.687 45.100 0.133 0.000 0.996 355 G HN 0.843 nan 8.290 nan 0.000 0.490 356 I N -0.085 120.261 120.570 -0.375 0.000 4.147 356 I HA 0.289 4.457 4.170 -0.003 0.000 0.329 356 I C 0.910 177.011 176.117 -0.027 0.000 1.424 356 I CA -0.333 60.708 61.300 -0.430 0.000 1.127 356 I CB 0.093 37.447 38.000 -1.077 0.000 1.128 356 I HN 0.496 nan 8.210 nan 0.000 0.417 357 F N 2.068 122.001 119.950 -0.028 0.000 2.053 357 F HA -0.026 4.499 4.527 -0.003 0.000 0.292 357 F C 2.399 178.245 175.800 0.076 0.000 1.125 357 F CA 2.172 60.203 58.000 0.051 0.000 1.193 357 F CB -0.459 38.566 39.000 0.040 0.000 0.996 357 F HN 0.092 nan 8.300 nan 0.000 0.470 358 A N 1.610 124.526 122.820 0.161 0.000 1.841 358 A HA -0.155 4.163 4.320 -0.003 0.000 0.216 358 A C -0.228 177.252 177.584 -0.173 0.000 1.199 358 A CA 2.107 54.114 52.037 -0.050 0.000 0.621 358 A CB -2.500 16.293 19.000 -0.345 0.000 0.835 358 A HN 0.389 nan 8.150 nan 0.000 0.445 359 P HA -0.216 nan 4.420 nan 0.000 0.219 359 P C 1.536 178.796 177.300 -0.066 0.000 1.144 359 P CA 1.600 64.639 63.100 -0.103 0.000 0.806 359 P CB -0.273 31.395 31.700 -0.054 0.000 0.771 360 M N -1.427 118.122 119.600 -0.085 0.000 2.200 360 M HA -0.075 4.404 4.480 -0.003 0.000 0.265 360 M C 2.305 178.561 176.300 -0.074 0.000 1.066 360 M CA 1.367 56.613 55.300 -0.089 0.000 1.127 360 M CB -0.568 31.977 32.600 -0.091 0.000 1.379 360 M HN -0.080 nan 8.290 nan 0.000 0.420 361 L N -0.045 121.112 121.223 -0.110 0.000 1.943 361 L HA -0.216 4.122 4.340 -0.003 0.000 0.215 361 L C 2.789 179.674 176.870 0.026 0.000 1.074 361 L CA 1.569 56.379 54.840 -0.050 0.000 0.759 361 L CB -1.147 40.921 42.059 0.015 0.000 0.888 361 L HN 0.285 nan 8.230 nan 0.000 0.433 362 A N 0.015 122.856 122.820 0.036 0.000 1.985 362 A HA -0.261 4.058 4.320 -0.003 0.000 0.223 362 A C 2.235 179.872 177.584 0.088 0.000 1.189 362 A CA 2.193 54.270 52.037 0.066 0.000 0.658 362 A CB -1.014 18.005 19.000 0.032 0.000 0.820 362 A HN 0.443 nan 8.150 nan 0.000 0.464 363 L N -1.460 119.815 121.223 0.086 0.000 2.023 363 L HA -0.082 4.256 4.340 -0.003 0.000 0.205 363 L C 2.936 179.920 176.870 0.190 0.000 1.073 363 L CA 1.224 56.176 54.840 0.187 0.000 0.745 363 L CB -1.302 40.843 42.059 0.144 0.000 0.900 363 L HN 0.497 nan 8.230 nan 0.000 0.435 364 G N -0.179 108.749 108.800 0.213 0.000 2.469 364 G HA2 -0.264 3.694 3.960 -0.003 0.000 0.219 364 G HA3 -0.264 3.694 3.960 -0.003 0.000 0.219 364 G C 1.526 176.563 174.900 0.228 0.000 1.150 364 G CA 1.452 46.769 45.100 0.361 0.000 0.763 364 G HN 0.308 nan 8.290 nan 0.000 0.561 365 T N 1.052 115.678 114.554 0.120 0.000 2.545 365 T HA -0.175 4.173 4.350 -0.003 0.000 0.261 365 T C 2.468 177.226 174.700 0.096 0.000 1.097 365 T CA 1.712 63.873 62.100 0.101 0.000 1.189 365 T CB -0.747 68.182 68.868 0.102 0.000 0.863 365 T HN 0.025 nan 8.240 nan 0.000 0.405 366 V N 1.814 121.776 119.914 0.080 0.000 2.370 366 V HA -0.169 3.949 4.120 -0.003 0.000 0.252 366 V C 2.449 178.464 176.094 -0.133 0.000 1.068 366 V CA 1.726 64.040 62.300 0.024 0.000 1.061 366 V CB -0.812 31.032 31.823 0.035 0.000 0.656 366 V HN 0.342 nan 8.190 nan 0.000 0.455 367 L N 1.009 122.074 121.223 -0.263 0.000 2.156 367 L HA 0.099 4.437 4.340 -0.003 0.000 0.208 367 L C 2.216 178.999 176.870 -0.146 0.000 1.095 367 L CA 2.269 56.792 54.840 -0.528 0.000 0.770 367 L CB -1.166 40.372 42.059 -0.868 0.000 0.914 367 L HN 0.213 nan 8.230 nan 0.000 0.439 368 G N -1.423 107.432 108.800 0.092 0.000 2.404 368 G HA2 -0.192 3.766 3.960 -0.003 0.000 0.214 368 G HA3 -0.192 3.766 3.960 -0.003 0.000 0.214 368 G C 1.342 176.346 174.900 0.174 0.000 1.189 368 G CA 1.030 46.246 45.100 0.193 0.000 0.789 368 G HN 0.403 nan 8.290 nan 0.000 0.533 369 T N 2.181 116.813 114.554 0.130 0.000 2.536 369 T HA -0.259 4.089 4.350 -0.003 0.000 0.263 369 T C 2.757 177.497 174.700 0.066 0.000 1.115 369 T CA 2.516 64.688 62.100 0.121 0.000 1.180 369 T CB -0.881 68.055 68.868 0.114 0.000 0.864 369 T HN 0.440 nan 8.240 nan 0.000 0.419 370 A N 1.081 123.906 122.820 0.009 0.000 1.896 370 A HA -0.211 4.108 4.320 -0.003 0.000 0.220 370 A C 2.068 179.602 177.584 -0.083 0.000 1.206 370 A CA 2.397 54.401 52.037 -0.054 0.000 0.647 370 A CB -1.356 17.569 19.000 -0.124 0.000 0.828 370 A HN 0.537 nan 8.150 nan 0.000 0.455 371 F N 0.843 120.674 119.950 -0.199 0.000 2.120 371 F HA -0.112 4.413 4.527 -0.003 0.000 0.300 371 F C 2.292 177.835 175.800 -0.430 0.000 1.095 371 F CA 1.612 59.450 58.000 -0.271 0.000 1.249 371 F CB -0.589 38.278 39.000 -0.222 0.000 0.995 371 F HN 0.250 nan 8.300 nan 0.000 0.480 372 G N 0.551 109.278 108.800 -0.122 0.000 2.552 372 G HA2 -0.314 3.644 3.960 -0.003 0.000 0.216 372 G HA3 -0.314 3.644 3.960 -0.003 0.000 0.216 372 G C 1.623 176.363 174.900 -0.267 0.000 1.240 372 G CA 1.149 46.038 45.100 -0.350 0.000 0.796 372 G HN 0.379 nan 8.290 nan 0.000 0.568 373 M N 0.141 119.668 119.600 -0.122 0.000 2.252 373 M HA -0.174 4.304 4.480 -0.003 0.000 0.257 373 M C 2.517 178.710 176.300 -0.178 0.000 1.077 373 M CA 1.071 56.308 55.300 -0.105 0.000 1.066 373 M CB -0.491 32.071 32.600 -0.063 0.000 1.380 373 M HN 0.175 nan 8.290 nan 0.000 0.412 374 V N -0.333 119.412 119.914 -0.282 0.000 2.346 374 V HA -0.130 3.988 4.120 -0.003 0.000 0.244 374 V C 2.636 178.515 176.094 -0.359 0.000 1.037 374 V CA 1.720 63.816 62.300 -0.340 0.000 1.029 374 V CB -1.257 30.290 31.823 -0.459 0.000 0.663 374 V HN 0.507 nan 8.190 nan 0.000 0.454 375 A N 0.241 122.801 122.820 -0.434 0.000 1.908 375 A HA -0.165 4.153 4.320 -0.003 0.000 0.218 375 A C 2.401 179.991 177.584 0.010 0.000 1.181 375 A CA 2.208 54.121 52.037 -0.206 0.000 0.627 375 A CB -0.782 17.910 19.000 -0.513 0.000 0.818 375 A HN 0.298 nan 8.150 nan 0.000 0.445 376 V N 1.201 121.071 119.914 -0.073 0.000 2.215 376 V HA -0.374 3.744 4.120 -0.003 0.000 0.246 376 V C 2.611 178.673 176.094 -0.055 0.000 1.047 376 V CA 2.621 64.924 62.300 0.004 0.000 0.999 376 V CB -1.149 30.668 31.823 -0.010 0.000 0.635 376 V HN 0.938 nan 8.190 nan 0.000 0.450 377 E N 0.022 120.150 120.200 -0.120 0.000 2.331 377 E HA -0.209 4.140 4.350 -0.003 0.000 0.199 377 E C 2.023 178.467 176.600 -0.260 0.000 1.008 377 E CA 1.467 57.774 56.400 -0.156 0.000 0.843 377 E CB -0.376 29.236 29.700 -0.147 0.000 0.761 377 E HN 0.598 nan 8.360 nan 0.000 0.507 378 L N -0.424 120.562 121.223 -0.394 0.000 2.131 378 L HA 0.061 4.399 4.340 -0.003 0.000 0.206 378 L C 0.247 176.509 176.870 -1.014 0.000 1.087 378 L CA 0.536 54.894 54.840 -0.804 0.000 0.767 378 L CB 0.206 41.565 42.059 -1.168 0.000 0.917 378 L HN 0.108 nan 8.230 nan 0.000 0.441 379 F N -0.985 118.851 119.950 -0.189 0.000 2.810 379 F HA 0.329 4.854 4.527 -0.003 0.000 0.373 379 F C -1.825 173.871 175.800 -0.175 0.000 1.174 379 F CA -2.033 55.806 58.000 -0.267 0.000 1.141 379 F CB 0.385 39.057 39.000 -0.547 0.000 1.420 379 F HN -0.217 nan 8.300 nan 0.000 0.518 380 P HA -0.162 nan 4.420 nan 0.000 0.225 380 P C 1.099 178.302 177.300 -0.163 0.000 1.156 380 P CA 1.065 64.117 63.100 -0.080 0.000 0.787 380 P CB 0.355 31.996 31.700 -0.099 0.000 0.802 381 Q N -0.535 119.234 119.800 -0.051 0.000 2.435 381 Q HA -0.123 4.216 4.340 -0.003 0.000 0.207 381 Q C 1.353 177.577 176.000 0.374 0.000 0.956 381 Q CA 1.059 56.892 55.803 0.050 0.000 0.917 381 Q CB -1.093 27.726 28.738 0.134 0.000 0.997 381 Q HN 0.433 nan 8.270 nan 0.000 0.497 382 Y N 0.332 120.739 120.300 0.178 0.000 2.466 382 Y HA 0.030 4.578 4.550 -0.003 0.000 0.272 382 Y C -0.192 175.897 175.900 0.315 0.000 1.169 382 Y CA -0.340 57.912 58.100 0.254 0.000 1.285 382 Y CB 0.048 38.621 38.460 0.190 0.000 1.078 382 Y HN 0.289 nan 8.280 nan 0.000 0.523 383 H N -0.129 119.104 119.070 0.272 0.000 2.557 383 H HA -0.187 4.368 4.556 -0.003 0.000 0.319 383 H C -0.193 175.248 175.328 0.188 0.000 1.102 383 H CA 0.208 56.365 56.048 0.182 0.000 1.126 383 H CB -2.190 27.652 29.762 0.133 0.000 1.498 383 H HN 0.290 nan 8.280 nan 0.000 0.411 384 L N -0.002 121.400 121.223 0.299 0.000 2.472 384 L HA 0.215 4.553 4.340 -0.003 0.000 0.260 384 L C 1.033 178.055 176.870 0.252 0.000 1.209 384 L CA 0.337 55.369 54.840 0.320 0.000 0.817 384 L CB 0.616 42.920 42.059 0.410 0.000 1.106 384 L HN 0.434 nan 8.230 nan 0.000 0.479 385 E N 0.144 120.509 120.200 0.276 0.000 2.255 385 E HA 0.322 4.670 4.350 -0.003 0.000 0.256 385 E C 0.288 177.063 176.600 0.292 0.000 0.887 385 E CA -0.343 56.183 56.400 0.209 0.000 0.782 385 E CB 1.805 31.591 29.700 0.144 0.000 1.214 385 E HN 0.694 nan 8.360 nan 0.000 0.417 386 A N 3.829 126.795 122.820 0.244 0.000 1.940 386 A HA -0.256 4.062 4.320 -0.003 0.000 0.221 386 A C 1.947 179.716 177.584 0.307 0.000 1.190 386 A CA 2.290 54.491 52.037 0.273 0.000 0.647 386 A CB -1.129 17.947 19.000 0.126 0.000 0.821 386 A HN 0.813 nan 8.150 nan 0.000 0.457 387 G N -0.779 108.133 108.800 0.186 0.000 2.517 387 G HA2 -0.310 3.648 3.960 -0.003 0.000 0.222 387 G HA3 -0.310 3.648 3.960 -0.003 0.000 0.222 387 G C 1.666 176.639 174.900 0.122 0.000 1.109 387 G CA 2.254 47.432 45.100 0.130 0.000 0.746 387 G HN 0.802 nan 8.290 nan 0.000 0.576 388 T N -1.319 113.313 114.554 0.131 0.000 2.812 388 T HA -0.011 4.337 4.350 -0.003 0.000 0.264 388 T C 2.075 176.789 174.700 0.022 0.000 1.042 388 T CA 1.029 63.134 62.100 0.008 0.000 1.140 388 T CB -0.437 68.377 68.868 -0.091 0.000 0.870 388 T HN 0.189 nan 8.240 nan 0.000 0.445 389 F N 2.289 122.332 119.950 0.154 0.000 2.259 389 F HA 0.349 4.875 4.527 -0.003 0.000 0.298 389 F C 2.917 178.749 175.800 0.053 0.000 1.088 389 F CA 0.339 58.383 58.000 0.074 0.000 1.358 389 F CB -0.863 38.123 39.000 -0.023 0.000 1.040 389 F HN 0.240 nan 8.300 nan 0.000 0.505 390 A N 0.045 123.012 122.820 0.245 0.000 2.024 390 A HA -0.127 4.191 4.320 -0.003 0.000 0.220 390 A C 2.174 179.806 177.584 0.080 0.000 1.164 390 A CA 1.495 53.621 52.037 0.149 0.000 0.643 390 A CB -0.876 18.200 19.000 0.127 0.000 0.806 390 A HN 0.470 nan 8.150 nan 0.000 0.451 391 I N -1.430 119.170 120.570 0.050 0.000 3.645 391 I HA 0.018 4.186 4.170 -0.003 0.000 0.300 391 I C 2.311 178.389 176.117 -0.065 0.000 1.260 391 I CA 0.665 61.955 61.300 -0.017 0.000 1.365 391 I CB 0.121 38.099 38.000 -0.036 0.000 1.077 391 I HN 0.303 nan 8.210 nan 0.000 0.439 392 A N 0.251 123.051 122.820 -0.032 0.000 2.238 392 A HA 0.237 4.555 4.320 -0.003 0.000 0.208 392 A C 1.822 179.298 177.584 -0.181 0.000 1.177 392 A CA 1.087 53.080 52.037 -0.074 0.000 0.804 392 A CB -0.503 18.579 19.000 0.136 0.000 0.823 392 A HN 0.422 nan 8.150 nan 0.000 0.482 393 G N -1.769 106.919 108.800 -0.187 0.000 3.146 393 G HA2 0.173 4.131 3.960 -0.003 0.000 0.238 393 G HA3 0.173 4.131 3.960 -0.003 0.000 0.238 393 G C 1.103 175.826 174.900 -0.295 0.000 1.022 393 G CA 0.559 45.393 45.100 -0.445 0.000 0.880 393 G HN 0.339 nan 8.290 nan 0.000 0.533 394 M N 1.144 120.664 119.600 -0.133 0.000 2.346 394 M HA 0.076 4.554 4.480 -0.003 0.000 0.263 394 M C 1.710 177.934 176.300 -0.127 0.000 1.064 394 M CA 1.840 57.097 55.300 -0.072 0.000 1.083 394 M CB 0.133 32.711 32.600 -0.036 0.000 1.399 394 M HN 0.145 nan 8.290 nan 0.000 0.435 395 G N -1.724 106.954 108.800 -0.204 0.000 3.829 395 G HA2 0.452 4.410 3.960 -0.003 0.000 0.279 395 G HA3 0.452 4.410 3.960 -0.003 0.000 0.279 395 G C 0.872 175.614 174.900 -0.263 0.000 1.008 395 G CA 0.334 45.308 45.100 -0.210 0.000 0.840 395 G HN 0.473 nan 8.290 nan 0.000 0.474 396 A N 0.365 122.911 122.820 -0.456 0.000 2.021 396 A HA 0.258 4.576 4.320 -0.003 0.000 0.216 396 A C 1.985 179.368 177.584 -0.335 0.000 1.163 396 A CA 0.572 52.235 52.037 -0.623 0.000 0.676 396 A CB -0.163 18.008 19.000 -1.381 0.000 0.818 396 A HN 0.361 nan 8.150 nan 0.000 0.453 397 L N -0.311 120.837 121.223 -0.125 0.000 2.291 397 L HA 0.037 4.375 4.340 -0.003 0.000 0.214 397 L C 1.809 178.725 176.870 0.078 0.000 1.120 397 L CA 1.239 56.212 54.840 0.222 0.000 0.799 397 L CB -0.469 41.750 42.059 0.265 0.000 0.925 397 L HN 0.418 nan 8.230 nan 0.000 0.446 398 L N -0.430 120.778 121.223 -0.025 0.000 2.270 398 L HA 0.003 4.341 4.340 -0.003 0.000 0.210 398 L C 2.383 179.272 176.870 0.031 0.000 1.104 398 L CA 0.702 55.543 54.840 0.002 0.000 0.804 398 L CB -0.417 41.589 42.059 -0.088 0.000 0.937 398 L HN 0.232 nan 8.230 nan 0.000 0.450 399 A N -0.676 122.132 122.820 -0.021 0.000 2.251 399 A HA 0.346 4.665 4.320 -0.003 0.000 0.209 399 A C 1.983 179.579 177.584 0.019 0.000 1.187 399 A CA 1.057 53.083 52.037 -0.019 0.000 0.823 399 A CB -0.147 18.805 19.000 -0.081 0.000 0.846 399 A HN 0.352 nan 8.150 nan 0.000 0.486 400 A N -1.837 121.024 122.820 0.068 0.000 1.997 400 A HA 0.339 4.658 4.320 -0.003 0.000 0.198 400 A C 2.132 179.774 177.584 0.095 0.000 1.449 400 A CA 1.148 53.240 52.037 0.092 0.000 0.908 400 A CB -0.398 18.702 19.000 0.166 0.000 0.984 400 A HN 0.288 nan 8.150 nan 0.000 0.487 401 S N -0.190 115.584 115.700 0.124 0.000 2.341 401 S HA -0.001 4.467 4.470 -0.003 0.000 0.204 401 S C 1.730 176.438 174.600 0.180 0.000 1.038 401 S CA 1.163 59.453 58.200 0.149 0.000 1.013 401 S CB -0.454 62.864 63.200 0.197 0.000 0.994 401 S HN 0.497 nan 8.310 nan 0.000 0.430 402 I N 1.596 122.314 120.570 0.247 0.000 3.241 402 I HA -0.003 4.165 4.170 -0.003 0.000 0.280 402 I C -0.176 176.055 176.117 0.190 0.000 1.320 402 I CA 0.579 62.073 61.300 0.323 0.000 1.413 402 I CB -0.317 37.939 38.000 0.428 0.000 1.060 402 I HN 0.285 nan 8.210 nan 0.000 0.500 403 R N 0.775 121.351 120.500 0.125 0.000 3.266 403 R HA -0.204 4.134 4.340 -0.003 0.000 0.245 403 R C 0.172 176.505 176.300 0.055 0.000 0.941 403 R CA 0.469 56.611 56.100 0.070 0.000 0.638 403 R CB -2.229 28.105 30.300 0.056 0.000 1.019 403 R HN 0.496 nan 8.270 nan 0.000 0.462 404 A N -0.547 122.315 122.820 0.069 0.000 3.218 404 A HA 0.424 4.742 4.320 -0.003 0.000 0.321 404 A C -1.685 175.918 177.584 0.031 0.000 1.012 404 A CA -1.399 50.679 52.037 0.067 0.000 0.948 404 A CB 0.629 19.718 19.000 0.148 0.000 1.050 404 A HN 0.006 nan 8.150 nan 0.000 0.492 405 P HA -0.232 nan 4.420 nan 0.000 0.208 405 P C 1.782 179.059 177.300 -0.037 0.000 1.180 405 P CA 0.836 63.915 63.100 -0.036 0.000 0.935 405 P CB 0.171 31.844 31.700 -0.045 0.000 0.785 406 L N -0.700 120.506 121.223 -0.029 0.000 2.030 406 L HA -0.254 4.084 4.340 -0.003 0.000 0.222 406 L C 2.165 179.021 176.870 -0.023 0.000 1.082 406 L CA 2.426 57.249 54.840 -0.028 0.000 0.785 406 L CB -1.854 40.193 42.059 -0.020 0.000 0.895 406 L HN 0.033 nan 8.230 nan 0.000 0.439 407 T N -0.836 113.719 114.554 0.002 0.000 2.759 407 T HA -0.120 4.228 4.350 -0.003 0.000 0.269 407 T C 1.637 176.306 174.700 -0.051 0.000 1.042 407 T CA 1.173 63.268 62.100 -0.010 0.000 1.140 407 T CB -0.835 68.066 68.868 0.055 0.000 0.864 407 T HN 0.624 nan 8.240 nan 0.000 0.455 408 G N 2.045 110.819 108.800 -0.042 0.000 2.505 408 G HA2 -0.103 3.855 3.960 -0.003 0.000 0.214 408 G HA3 -0.103 3.855 3.960 -0.003 0.000 0.214 408 G C 1.444 176.292 174.900 -0.086 0.000 1.237 408 G CA 0.403 45.458 45.100 -0.075 0.000 0.802 408 G HN 0.344 nan 8.290 nan 0.000 0.549 409 I N 1.361 121.877 120.570 -0.089 0.000 2.103 409 I HA -0.250 3.919 4.170 -0.003 0.000 0.241 409 I C 2.801 178.872 176.117 -0.077 0.000 1.036 409 I CA 1.582 62.823 61.300 -0.098 0.000 1.300 409 I CB -0.999 36.944 38.000 -0.094 0.000 1.010 409 I HN 0.174 nan 8.210 nan 0.000 0.406 410 I N -0.077 120.458 120.570 -0.058 0.000 2.756 410 I HA -0.244 3.924 4.170 -0.003 0.000 0.262 410 I C 2.383 178.473 176.117 -0.046 0.000 1.225 410 I CA 0.630 61.904 61.300 -0.043 0.000 1.472 410 I CB -0.134 37.844 38.000 -0.036 0.000 1.094 410 I HN 0.243 nan 8.210 nan 0.000 0.454 411 L N -0.383 120.807 121.223 -0.057 0.000 2.249 411 L HA 0.011 4.349 4.340 -0.003 0.000 0.207 411 L C 2.147 179.012 176.870 -0.010 0.000 1.090 411 L CA 1.336 56.150 54.840 -0.044 0.000 0.802 411 L CB -0.122 41.894 42.059 -0.072 0.000 0.947 411 L HN -0.118 nan 8.230 nan 0.000 0.453 412 V N -0.302 119.590 119.914 -0.036 0.000 2.221 412 V HA -0.266 3.852 4.120 -0.003 0.000 0.242 412 V C 2.440 178.515 176.094 -0.032 0.000 1.041 412 V CA 1.830 64.108 62.300 -0.036 0.000 0.995 412 V CB -0.713 31.067 31.823 -0.073 0.000 0.635 412 V HN 0.459 nan 8.190 nan 0.000 0.448 413 L N 0.382 121.579 121.223 -0.043 0.000 1.980 413 L HA -0.326 4.012 4.340 -0.003 0.000 0.232 413 L C 2.539 179.406 176.870 -0.005 0.000 1.092 413 L CA 2.431 57.258 54.840 -0.022 0.000 0.808 413 L CB -0.895 41.163 42.059 -0.002 0.000 0.908 413 L HN 0.412 nan 8.230 nan 0.000 0.442 414 E N -0.929 119.269 120.200 -0.003 0.000 2.396 414 E HA -0.282 4.066 4.350 -0.003 0.000 0.209 414 E C 1.565 178.164 176.600 -0.002 0.000 1.056 414 E CA 1.891 58.290 56.400 -0.002 0.000 0.851 414 E CB -0.276 29.418 29.700 -0.011 0.000 0.754 414 E HN 0.747 nan 8.360 nan 0.000 0.504 415 M N -3.788 115.809 119.600 -0.006 0.000 2.268 415 M HA 0.186 4.665 4.480 -0.003 0.000 0.355 415 M C 1.153 177.432 176.300 -0.035 0.000 0.938 415 M CA 0.070 55.356 55.300 -0.023 0.000 1.025 415 M CB 0.747 33.328 32.600 -0.032 0.000 1.773 415 M HN -0.159 nan 8.290 nan 0.000 0.613 416 T N -3.329 111.209 114.554 -0.026 0.000 3.000 416 T HA 0.099 4.447 4.350 -0.003 0.000 0.248 416 T C 0.612 175.300 174.700 -0.020 0.000 1.034 416 T CA 0.319 62.401 62.100 -0.029 0.000 1.060 416 T CB -0.009 68.838 68.868 -0.036 0.000 0.983 416 T HN 0.387 nan 8.240 nan 0.000 0.482 417 D N 2.090 122.485 120.400 -0.009 0.000 2.689 417 D HA -0.158 4.481 4.640 -0.003 0.000 0.237 417 D C -0.625 175.682 176.300 0.012 0.000 1.148 417 D CA 0.341 54.347 54.000 0.009 0.000 0.656 417 D CB -1.817 38.986 40.800 0.006 0.000 1.050 417 D HN 0.530 nan 8.370 nan 0.000 0.426 418 N N 0.540 119.239 118.700 -0.002 0.000 2.644 418 N HA 0.008 4.746 4.740 -0.003 0.000 0.313 418 N C 0.729 176.218 175.510 -0.036 0.000 1.863 418 N CA -0.404 52.635 53.050 -0.018 0.000 0.918 418 N CB 0.141 38.596 38.487 -0.053 0.000 1.320 418 N HN 0.271 nan 8.380 nan 0.000 0.490 419 Y N 2.230 122.491 120.300 -0.065 0.000 2.332 419 Y HA -0.331 4.217 4.550 -0.002 0.000 0.283 419 Y C 2.059 177.907 175.900 -0.087 0.000 1.186 419 Y CA 2.042 60.100 58.100 -0.071 0.000 1.266 419 Y CB 0.227 38.653 38.460 -0.056 0.000 0.973 419 Y HN 0.360 nan 8.280 nan 0.000 0.548 420 Q N -0.265 119.503 119.800 -0.052 0.000 2.291 420 Q HA -0.124 4.214 4.340 -0.003 0.000 0.206 420 Q C 1.578 177.436 176.000 -0.236 0.000 0.976 420 Q CA 1.763 57.511 55.803 -0.093 0.000 0.875 420 Q CB -0.451 28.259 28.738 -0.047 0.000 0.927 420 Q HN 0.532 nan 8.270 nan 0.000 0.450 421 L N -0.402 120.648 121.223 -0.288 0.000 2.592 421 L HA 0.115 4.453 4.340 -0.003 0.000 0.227 421 L C 1.575 178.189 176.870 -0.427 0.000 1.127 421 L CA -0.325 54.300 54.840 -0.358 0.000 0.884 421 L CB 0.014 41.897 42.059 -0.294 0.000 1.065 421 L HN 0.191 nan 8.230 nan 0.000 0.457 422 I N 0.315 120.566 120.570 -0.530 0.000 2.118 422 I HA -0.331 3.837 4.170 -0.003 0.000 0.241 422 I C 2.283 178.162 176.117 -0.398 0.000 1.070 422 I CA 1.520 62.499 61.300 -0.535 0.000 1.327 422 I CB -0.080 37.377 38.000 -0.906 0.000 1.034 422 I HN 0.180 nan 8.210 nan 0.000 0.405 423 L N 0.878 121.878 121.223 -0.372 0.000 2.079 423 L HA -0.125 4.213 4.340 -0.003 0.000 0.210 423 L C -0.637 176.044 176.870 -0.315 0.000 1.081 423 L CA 2.218 56.893 54.840 -0.274 0.000 0.752 423 L CB -1.688 40.242 42.059 -0.216 0.000 0.896 423 L HN 0.166 nan 8.230 nan 0.000 0.433 424 P HA -0.074 nan 4.420 nan 0.000 0.214 424 P C 2.064 179.110 177.300 -0.423 0.000 1.162 424 P CA 1.407 64.116 63.100 -0.651 0.000 0.871 424 P CB -0.032 30.904 31.700 -1.273 0.000 0.783 425 M N -1.287 118.085 119.600 -0.380 0.000 2.108 425 M HA -0.208 4.270 4.480 -0.003 0.000 0.257 425 M C 2.020 178.197 176.300 -0.204 0.000 1.071 425 M CA 1.987 57.131 55.300 -0.261 0.000 1.093 425 M CB -1.023 31.429 32.600 -0.246 0.000 1.345 425 M HN -0.070 nan 8.290 nan 0.000 0.403 426 I N -0.082 120.370 120.570 -0.196 0.000 2.286 426 I HA -0.232 3.936 4.170 -0.003 0.000 0.245 426 I C 2.151 178.199 176.117 -0.115 0.000 1.104 426 I CA 1.118 62.333 61.300 -0.143 0.000 1.397 426 I CB -0.289 37.634 38.000 -0.128 0.000 1.072 426 I HN 0.245 nan 8.210 nan 0.000 0.417 427 I N 0.268 120.767 120.570 -0.118 0.000 2.756 427 I HA -0.210 3.958 4.170 -0.003 0.000 0.262 427 I C 2.239 178.332 176.117 -0.040 0.000 1.225 427 I CA 1.052 62.314 61.300 -0.063 0.000 1.472 427 I CB -0.515 37.459 38.000 -0.043 0.000 1.094 427 I HN 0.252 nan 8.210 nan 0.000 0.454 428 T N 0.237 114.748 114.554 -0.071 0.000 2.815 428 T HA 0.015 4.363 4.350 -0.003 0.000 0.244 428 T C 2.003 176.634 174.700 -0.114 0.000 1.040 428 T CA 1.119 63.171 62.100 -0.079 0.000 1.176 428 T CB -0.692 68.106 68.868 -0.117 0.000 0.880 428 T HN 0.454 nan 8.240 nan 0.000 0.414 429 G N 1.386 110.091 108.800 -0.158 0.000 2.532 429 G HA2 -0.197 3.761 3.960 -0.003 0.000 0.222 429 G HA3 -0.197 3.761 3.960 -0.003 0.000 0.222 429 G C 1.509 176.352 174.900 -0.096 0.000 1.102 429 G CA 0.899 45.909 45.100 -0.149 0.000 0.742 429 G HN 0.344 nan 8.290 nan 0.000 0.577 430 L N 0.872 122.048 121.223 -0.079 0.000 2.068 430 L HA 0.295 4.633 4.340 -0.003 0.000 0.204 430 L C 2.842 179.678 176.870 -0.057 0.000 1.076 430 L CA 1.992 56.794 54.840 -0.064 0.000 0.753 430 L CB -0.826 41.202 42.059 -0.052 0.000 0.910 430 L HN 0.122 nan 8.230 nan 0.000 0.439 431 G N -1.122 107.656 108.800 -0.036 0.000 2.470 431 G HA2 -0.194 3.764 3.960 -0.003 0.000 0.220 431 G HA3 -0.194 3.764 3.960 -0.003 0.000 0.220 431 G C 1.548 176.442 174.900 -0.009 0.000 1.121 431 G CA 0.762 45.855 45.100 -0.012 0.000 0.766 431 G HN 0.593 nan 8.290 nan 0.000 0.553 432 A N 1.088 123.897 122.820 -0.018 0.000 1.835 432 A HA -0.068 4.251 4.320 -0.003 0.000 0.215 432 A C 2.597 180.177 177.584 -0.007 0.000 1.199 432 A CA 2.679 54.727 52.037 0.019 0.000 0.615 432 A CB -1.179 17.807 19.000 -0.023 0.000 0.838 432 A HN 0.365 nan 8.150 nan 0.000 0.444 433 T N -0.280 114.245 114.554 -0.047 0.000 2.962 433 T HA 0.004 4.353 4.350 -0.003 0.000 0.270 433 T C 1.653 176.250 174.700 -0.172 0.000 1.088 433 T CA 0.907 62.961 62.100 -0.077 0.000 1.127 433 T CB -0.191 68.633 68.868 -0.073 0.000 0.883 433 T HN 0.173 nan 8.240 nan 0.000 0.493 434 L N 0.250 121.353 121.223 -0.200 0.000 2.141 434 L HA 0.058 4.397 4.340 -0.003 0.000 0.209 434 L C 2.166 178.753 176.870 -0.473 0.000 1.094 434 L CA 1.317 55.915 54.840 -0.403 0.000 0.763 434 L CB -0.757 41.163 42.059 -0.232 0.000 0.908 434 L HN 0.330 nan 8.230 nan 0.000 0.437 435 L N -1.321 119.809 121.223 -0.156 0.000 2.357 435 L HA 0.110 4.448 4.340 -0.003 0.000 0.211 435 L C 2.660 179.534 176.870 0.007 0.000 1.075 435 L CA 1.101 55.933 54.840 -0.013 0.000 0.830 435 L CB -1.362 40.743 42.059 0.076 0.000 0.996 435 L HN 0.106 nan 8.230 nan 0.000 0.467 436 A N -0.418 122.396 122.820 -0.011 0.000 2.024 436 A HA -0.251 4.067 4.320 -0.003 0.000 0.220 436 A C 2.230 179.815 177.584 0.002 0.000 1.164 436 A CA 1.736 53.781 52.037 0.013 0.000 0.643 436 A CB -0.320 18.691 19.000 0.019 0.000 0.806 436 A HN 0.511 nan 8.150 nan 0.000 0.451 437 Q N -1.253 118.504 119.800 -0.072 0.000 1.940 437 Q HA -0.055 4.284 4.340 -0.003 0.000 0.200 437 Q C 1.373 177.443 176.000 0.117 0.000 0.977 437 Q CA 0.956 56.733 55.803 -0.044 0.000 0.841 437 Q CB -0.244 28.365 28.738 -0.215 0.000 0.901 437 Q HN 0.515 nan 8.270 nan 0.000 0.446 438 F N 1.309 121.287 119.950 0.046 0.000 2.500 438 F HA -0.105 4.420 4.527 -0.003 0.000 0.294 438 F C 1.333 177.160 175.800 0.045 0.000 1.101 438 F CA 1.378 59.404 58.000 0.045 0.000 1.484 438 F CB -0.984 38.044 39.000 0.047 0.000 1.110 438 F HN 0.173 nan 8.300 nan 0.000 0.603 439 T N -2.419 112.258 114.554 0.204 0.000 3.630 439 T HA 0.603 4.952 4.350 -0.003 0.000 0.238 439 T C 0.759 175.514 174.700 0.093 0.000 1.195 439 T CA -0.065 62.116 62.100 0.136 0.000 1.433 439 T CB 0.175 69.114 68.868 0.117 0.000 0.940 439 T HN 0.515 nan 8.240 nan 0.000 0.641 440 G N 1.579 110.436 108.800 0.095 0.000 2.536 440 G HA2 0.202 4.160 3.960 -0.003 0.000 0.280 440 G HA3 0.202 4.160 3.960 -0.003 0.000 0.280 440 G C 0.735 175.670 174.900 0.059 0.000 1.152 440 G CA 0.256 45.398 45.100 0.070 0.000 0.970 440 G HN 2.158 nan 8.290 nan 0.000 0.549 441 G N -0.798 108.026 108.800 0.040 0.000 3.106 441 G HA2 0.223 4.181 3.960 -0.003 0.000 0.687 441 G HA3 0.223 4.181 3.960 -0.003 0.000 0.687 441 G C -0.124 174.804 174.900 0.046 0.000 1.527 441 G CA 1.568 46.687 45.100 0.031 0.000 1.058 441 G HN 1.555 nan 8.290 nan 0.000 0.561 442 K N 0.363 120.792 120.400 0.050 0.000 2.615 442 K HA 0.392 4.710 4.320 -0.003 0.000 0.291 442 K C -2.983 173.667 176.600 0.082 0.000 1.017 442 K CA -1.831 54.495 56.287 0.066 0.000 0.882 442 K CB 2.029 34.570 32.500 0.069 0.000 1.522 442 K HN 0.245 nan 8.250 nan 0.000 0.412 443 P HA -0.109 nan 4.420 nan 0.000 0.243 443 P C 0.790 178.187 177.300 0.163 0.000 1.134 443 P CA 0.264 63.447 63.100 0.138 0.000 1.109 443 P CB 0.058 31.834 31.700 0.128 0.000 1.140 444 L N 2.831 124.151 121.223 0.163 0.000 2.283 444 L HA -0.248 4.090 4.340 -0.003 0.000 0.217 444 L C 0.824 177.738 176.870 0.072 0.000 1.104 444 L CA 2.268 57.174 54.840 0.110 0.000 0.772 444 L CB -0.590 41.533 42.059 0.107 0.000 0.899 444 L HN 0.338 nan 8.230 nan 0.000 0.439 445 Y N -1.021 119.342 120.300 0.106 0.000 2.448 445 Y HA -0.020 4.529 4.550 -0.003 0.000 0.289 445 Y C 2.740 178.682 175.900 0.070 0.000 1.114 445 Y CA 1.140 59.300 58.100 0.100 0.000 1.235 445 Y CB 0.037 38.554 38.460 0.094 0.000 1.045 445 Y HN 0.127 nan 8.280 nan 0.000 0.554 446 S N -0.566 115.254 115.700 0.200 0.000 2.425 446 S HA -0.023 4.445 4.470 -0.003 0.000 0.225 446 S C 2.264 176.924 174.600 0.100 0.000 1.024 446 S CA 0.695 58.979 58.200 0.140 0.000 0.951 446 S CB -0.307 62.978 63.200 0.141 0.000 0.796 446 S HN 0.455 nan 8.310 nan 0.000 0.498 447 A N 1.976 124.849 122.820 0.088 0.000 1.877 447 A HA -0.027 4.292 4.320 -0.003 0.000 0.216 447 A C 1.985 179.592 177.584 0.038 0.000 1.186 447 A CA 1.135 53.206 52.037 0.057 0.000 0.620 447 A CB -0.779 18.250 19.000 0.049 0.000 0.822 447 A HN 0.466 nan 8.150 nan 0.000 0.443 448 I N -0.784 119.805 120.570 0.032 0.000 2.335 448 I HA -0.252 3.916 4.170 -0.003 0.000 0.251 448 I C 2.448 178.577 176.117 0.020 0.000 1.129 448 I CA 1.254 62.561 61.300 0.011 0.000 1.402 448 I CB -0.292 37.701 38.000 -0.011 0.000 1.069 448 I HN 0.410 nan 8.210 nan 0.000 0.424 449 L N 1.130 122.379 121.223 0.043 0.000 2.007 449 L HA -0.080 4.258 4.340 -0.003 0.000 0.205 449 L C 2.666 179.552 176.870 0.027 0.000 1.073 449 L CA 2.128 56.991 54.840 0.040 0.000 0.744 449 L CB -0.852 41.242 42.059 0.057 0.000 0.898 449 L HN 0.156 nan 8.230 nan 0.000 0.435 450 A N -0.120 122.719 122.820 0.032 0.000 1.903 450 A HA -0.268 4.050 4.320 -0.003 0.000 0.219 450 A C 2.395 179.984 177.584 0.009 0.000 1.191 450 A CA 2.066 54.114 52.037 0.018 0.000 0.638 450 A CB -0.658 18.355 19.000 0.022 0.000 0.823 450 A HN 0.496 nan 8.150 nan 0.000 0.451 451 R N -1.053 119.452 120.500 0.009 0.000 2.096 451 R HA -0.106 4.232 4.340 -0.003 0.000 0.229 451 R C 2.218 178.516 176.300 -0.004 0.000 1.134 451 R CA 1.977 58.077 56.100 -0.000 0.000 0.917 451 R CB -1.572 28.725 30.300 -0.005 0.000 0.832 451 R HN 0.543 nan 8.270 nan 0.000 0.430 452 T N 1.949 116.500 114.554 -0.004 0.000 2.946 452 T HA -0.111 4.237 4.350 -0.003 0.000 0.271 452 T C 1.677 176.377 174.700 0.000 0.000 1.104 452 T CA 0.783 62.879 62.100 -0.005 0.000 1.114 452 T CB -0.100 68.764 68.868 -0.006 0.000 0.867 452 T HN 0.002 nan 8.240 nan 0.000 0.513 453 L N 0.358 121.583 121.223 0.003 0.000 2.221 453 L HA 0.417 4.755 4.340 -0.003 0.000 0.202 453 L C 2.498 179.369 176.870 0.001 0.000 1.074 453 L CA 1.021 55.863 54.840 0.004 0.000 0.795 453 L CB -0.729 41.333 42.059 0.005 0.000 0.960 453 L HN 0.167 nan 8.230 nan 0.000 0.458 454 A N -0.945 121.875 122.820 -0.001 0.000 1.930 454 A HA -0.180 4.139 4.320 -0.003 0.000 0.215 454 A C 2.302 179.886 177.584 -0.000 0.000 1.176 454 A CA 1.381 53.417 52.037 -0.002 0.000 0.632 454 A CB -0.462 18.537 19.000 -0.003 0.000 0.819 454 A HN 0.342 nan 8.150 nan 0.000 0.445 455 K N -0.080 120.319 120.400 -0.001 0.000 2.442 455 K HA -0.185 4.133 4.320 -0.003 0.000 0.198 455 K C 2.032 178.635 176.600 0.005 0.000 1.042 455 K CA 1.332 57.620 56.287 0.000 0.000 0.958 455 K CB -0.087 32.409 32.500 -0.006 0.000 0.766 455 K HN 0.728 nan 8.250 nan 0.000 0.474 456 Q N 1.381 121.184 119.800 0.005 0.000 1.961 456 Q HA -0.133 4.206 4.340 -0.003 0.000 0.197 456 Q C -0.435 175.571 176.000 0.009 0.000 0.977 456 Q CA 1.203 57.011 55.803 0.008 0.000 0.830 456 Q CB -0.045 28.698 28.738 0.008 0.000 0.896 456 Q HN 0.268 nan 8.270 nan 0.000 0.437 457 E N 1.007 121.211 120.200 0.006 0.000 2.217 457 E HA 0.485 4.833 4.350 -0.003 0.000 0.279 457 E C -0.432 176.171 176.600 0.005 0.000 1.068 457 E CA 0.172 56.575 56.400 0.006 0.000 0.882 457 E CB 0.992 30.694 29.700 0.004 0.000 1.039 457 E HN 0.578 nan 8.360 nan 0.000 0.418 458 A N 0.000 122.824 122.820 0.007 0.000 2.254 458 A HA 0.000 4.318 4.320 -0.003 0.000 0.244 458 A CA 0.000 52.041 52.037 0.007 0.000 0.836 458 A CB 0.000 19.003 19.000 0.005 0.000 0.831 458 A HN 0.000 nan 8.150 nan 0.000 0.486