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 1h8h_1_A DATA FIRST_RESID 24 DATA SEQUENCE DLEETGRVLS IGDGIARVHG LRNVQAEEMV EFSSGLKGMS LNLEPDNVGV DATA SEQUENCE VVFGNDKLIK EGDIVKRTGA IVDVPVGEEL LGRVVDALGN AIDGKGPIGS DATA SEQUENCE KARRRVGLKA PGIIPRISVR EPMQTGIKAV DSLVPIGRGQ RELIIGDRQT DATA SEQUENCE GKTSIAIDTI INQKRFNDGT DEKKKLYCIY VAIGQKRSTV AQLVKRLTDA DATA SEQUENCE DAMKYTIVVS ATASDAAPLQ YLAPYSGCSM GEYFRDNGKH ALIIYDDLSK DATA SEQUENCE QAVAYRQMSL LLRRPPGREA YPGDVFYLHS RLLERAAKMN DAFGGGSLTA DATA SEQUENCE LPVIETQAGD VSAYIPTNVI SITDGQIFLE TELFYKGIRP AINVGLSVSR DATA SEQUENCE VGSAAQTRAM KQVAGTMKLE LAQYREVAAF AQFGSDLDAA TQQLLSRGVR DATA SEQUENCE LTELLKQGQY SPMAIEEQVA VIYAGVRGYL DKLEPSKITK FENAFLSHVI DATA SEQUENCE SQHQALLGKI RTDGKISEES DAKLKEIVTN FLAGFEA 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 24 D HA 0.000 nan 4.640 nan 0.000 0.175 24 D C 0.000 176.299 176.300 -0.002 0.000 2.045 24 D CA 0.000 54.002 54.000 0.003 0.000 0.868 24 D CB 0.000 40.798 40.800 -0.004 0.000 0.688 25 L N 1.625 122.848 121.223 -0.000 0.000 2.633 25 L HA 0.081 4.421 4.340 -0.000 0.000 0.235 25 L C 1.995 178.839 176.870 -0.043 0.000 1.163 25 L CA 0.693 55.520 54.840 -0.022 0.000 0.859 25 L CB -0.015 42.029 42.059 -0.026 0.000 0.973 25 L HN 0.455 nan 8.230 nan 0.000 0.451 26 E N 0.065 120.246 120.200 -0.031 0.000 2.166 26 E HA -0.087 4.263 4.350 -0.000 0.000 0.192 26 E C 1.366 177.945 176.600 -0.036 0.000 0.967 26 E CA 0.462 56.841 56.400 -0.034 0.000 0.840 26 E CB 0.511 30.196 29.700 -0.025 0.000 0.795 26 E HN 0.388 nan 8.360 nan 0.000 0.470 27 E N 0.231 120.412 120.200 -0.032 0.000 2.539 27 E HA 0.077 4.426 4.350 -0.000 0.000 0.215 27 E C 0.431 177.005 176.600 -0.043 0.000 0.965 27 E CA 0.408 56.786 56.400 -0.037 0.000 1.019 27 E CB 1.456 31.139 29.700 -0.030 0.000 1.059 27 E HN 0.238 nan 8.360 nan 0.000 0.496 28 T N -2.300 112.232 114.554 -0.037 0.000 2.838 28 T HA 0.806 5.156 4.350 -0.000 0.000 0.292 28 T C 0.233 174.918 174.700 -0.026 0.000 1.113 28 T CA -0.543 61.535 62.100 -0.036 0.000 1.008 28 T CB 2.569 71.426 68.868 -0.019 0.000 1.259 28 T HN 0.012 nan 8.240 nan 0.000 0.520 29 G N 0.119 108.909 108.800 -0.016 0.000 2.645 29 G HA2 0.692 4.652 3.960 -0.000 0.000 0.292 29 G HA3 0.692 4.652 3.960 -0.000 0.000 0.292 29 G C -1.798 173.134 174.900 0.053 0.000 1.415 29 G CA -1.328 43.786 45.100 0.023 0.000 0.785 29 G HN 0.966 nan 8.290 nan 0.000 0.483 30 R N -0.876 119.689 120.500 0.107 0.000 2.686 30 R HA 0.704 5.044 4.340 -0.000 0.000 0.286 30 R C -0.963 175.403 176.300 0.111 0.000 0.969 30 R CA -0.860 55.297 56.100 0.094 0.000 0.898 30 R CB 2.074 32.417 30.300 0.071 0.000 1.183 30 R HN 0.306 nan 8.270 nan 0.000 0.456 31 V N 4.646 124.627 119.914 0.113 0.000 2.521 31 V HA 0.007 4.127 4.120 -0.000 0.000 0.286 31 V C 1.271 177.413 176.094 0.081 0.000 1.034 31 V CA 0.033 62.407 62.300 0.124 0.000 1.045 31 V CB 0.452 32.368 31.823 0.154 0.000 0.974 31 V HN 0.730 nan 8.190 nan 0.000 0.480 32 L N 3.745 125.018 121.223 0.082 0.000 2.102 32 L HA 0.125 4.465 4.340 -0.000 0.000 0.202 32 L C 0.996 177.890 176.870 0.040 0.000 1.076 32 L CA 0.997 55.867 54.840 0.050 0.000 0.761 32 L CB 0.027 42.123 42.059 0.062 0.000 0.921 32 L HN 0.829 nan 8.230 nan 0.000 0.444 33 S N -0.908 114.822 115.700 0.051 0.000 2.537 33 S HA 0.636 5.106 4.470 -0.000 0.000 0.270 33 S C -1.102 173.523 174.600 0.041 0.000 1.142 33 S CA -0.768 57.454 58.200 0.037 0.000 0.870 33 S CB 2.686 65.902 63.200 0.028 0.000 1.112 33 S HN 0.033 nan 8.310 nan 0.000 0.466 34 I N 0.853 121.436 120.570 0.021 0.000 2.607 34 I HA 0.890 5.060 4.170 -0.000 0.000 0.290 34 I C -0.434 175.680 176.117 -0.005 0.000 1.129 34 I CA 0.233 61.538 61.300 0.008 0.000 1.042 34 I CB 1.546 39.538 38.000 -0.014 0.000 1.242 34 I HN 1.296 nan 8.210 nan 0.000 0.421 35 G N 4.596 113.393 108.800 -0.006 0.000 2.633 35 G HA2 0.425 4.385 3.960 -0.000 0.000 0.299 35 G HA3 0.425 4.385 3.960 -0.000 0.000 0.299 35 G C -1.385 173.509 174.900 -0.010 0.000 1.501 35 G CA -0.581 44.513 45.100 -0.010 0.000 0.887 35 G HN 0.680 nan 8.290 nan 0.000 0.561 36 D N 0.099 120.490 120.400 -0.015 0.000 2.697 36 D HA -0.164 4.476 4.640 -0.000 0.000 0.238 36 D C 1.654 177.948 176.300 -0.011 0.000 1.152 36 D CA 2.714 56.705 54.000 -0.014 0.000 0.666 36 D CB -1.107 39.683 40.800 -0.016 0.000 1.037 36 D HN 2.199 nan 8.370 nan 0.000 0.423 37 G N -0.907 107.886 108.800 -0.010 0.000 2.196 37 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.268 37 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.268 37 G C 0.315 175.232 174.900 0.029 0.000 0.975 37 G CA 0.512 45.615 45.100 0.005 0.000 0.648 37 G HN 0.532 nan 8.290 nan 0.000 0.538 38 I N 0.881 121.464 120.570 0.022 0.000 2.389 38 I HA 0.663 4.833 4.170 -0.000 0.000 0.288 38 I C 0.377 176.528 176.117 0.057 0.000 0.999 38 I CA -0.843 60.485 61.300 0.047 0.000 1.129 38 I CB 1.305 39.322 38.000 0.028 0.000 1.288 38 I HN 0.286 nan 8.210 nan 0.000 0.444 39 A N 7.548 130.436 122.820 0.114 0.000 2.273 39 A HA 0.634 4.954 4.320 -0.000 0.000 0.315 39 A C -0.088 177.584 177.584 0.146 0.000 1.256 39 A CA -0.756 51.369 52.037 0.147 0.000 0.851 39 A CB 0.768 19.937 19.000 0.281 0.000 1.172 39 A HN 0.562 nan 8.150 nan 0.000 0.508 40 R N 2.261 122.824 120.500 0.105 0.000 2.220 40 R HA 0.354 4.694 4.340 -0.000 0.000 0.340 40 R C -0.887 175.475 176.300 0.105 0.000 1.076 40 R CA -0.148 56.005 56.100 0.088 0.000 0.920 40 R CB 0.792 31.131 30.300 0.065 0.000 1.062 40 R HN 0.448 nan 8.270 nan 0.000 0.469 41 V N 3.883 123.856 119.914 0.098 0.000 2.398 41 V HA 0.149 4.269 4.120 -0.000 0.000 0.286 41 V C 0.254 176.406 176.094 0.097 0.000 1.026 41 V CA -0.891 61.468 62.300 0.098 0.000 0.868 41 V CB 1.322 33.176 31.823 0.052 0.000 0.982 41 V HN 0.689 nan 8.190 nan 0.000 0.443 42 H N 3.348 122.429 119.070 0.017 0.000 2.511 42 H HA 0.656 5.212 4.556 -0.000 0.000 0.346 42 H C 0.640 175.967 175.328 -0.001 0.000 1.128 42 H CA 1.264 57.318 56.048 0.009 0.000 1.342 42 H CB 1.216 30.985 29.762 0.012 0.000 1.470 42 H HN 1.036 nan 8.280 nan 0.000 0.546 43 G N 2.419 110.911 108.800 -0.514 0.000 2.496 43 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.243 43 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.243 43 G C 0.238 175.051 174.900 -0.145 0.000 1.176 43 G CA -0.278 44.658 45.100 -0.274 0.000 0.940 43 G HN 1.256 nan 8.290 nan 0.000 0.573 44 L N -0.476 120.695 121.223 -0.087 0.000 3.976 44 L HA -0.230 4.110 4.340 -0.000 0.000 0.418 44 L C 2.370 179.198 176.870 -0.070 0.000 1.177 44 L CA 0.974 55.770 54.840 -0.073 0.000 0.968 44 L CB -0.582 41.433 42.059 -0.073 0.000 1.933 44 L HN 0.643 nan 8.230 nan 0.000 0.976 45 R N 0.203 120.656 120.500 -0.077 0.000 2.226 45 R HA -0.136 4.204 4.340 -0.000 0.000 0.246 45 R C 1.155 177.427 176.300 -0.047 0.000 1.161 45 R CA 1.592 57.652 56.100 -0.066 0.000 0.997 45 R CB -0.314 29.945 30.300 -0.069 0.000 0.870 45 R HN 0.550 nan 8.270 nan 0.000 0.465 46 N N -0.269 118.406 118.700 -0.043 0.000 2.235 46 N HA 0.024 4.764 4.740 -0.000 0.000 0.209 46 N C -0.243 175.247 175.510 -0.034 0.000 1.122 46 N CA -0.022 53.008 53.050 -0.034 0.000 0.845 46 N CB 0.521 38.990 38.487 -0.030 0.000 1.004 46 N HN -0.052 nan 8.380 nan 0.000 0.499 47 V N -0.868 119.023 119.914 -0.039 0.000 3.096 47 V HA 0.166 4.286 4.120 -0.000 0.000 0.306 47 V C 0.560 176.639 176.094 -0.025 0.000 1.088 47 V CA -0.622 61.656 62.300 -0.037 0.000 1.129 47 V CB 0.693 32.489 31.823 -0.044 0.000 1.014 47 V HN 0.078 nan 8.190 nan 0.000 0.486 48 Q N 1.279 121.067 119.800 -0.021 0.000 2.205 48 Q HA 0.669 5.009 4.340 -0.000 0.000 0.249 48 Q C -0.015 175.984 176.000 -0.002 0.000 0.948 48 Q CA -0.657 55.140 55.803 -0.010 0.000 0.895 48 Q CB 1.822 30.554 28.738 -0.010 0.000 1.249 48 Q HN 1.057 nan 8.270 nan 0.000 0.458 49 A N 1.624 124.449 122.820 0.009 0.000 2.492 49 A HA 0.155 4.475 4.320 -0.000 0.000 0.254 49 A C 0.099 177.699 177.584 0.027 0.000 1.091 49 A CA 0.203 52.254 52.037 0.023 0.000 0.768 49 A CB -0.185 18.835 19.000 0.032 0.000 1.028 49 A HN 0.949 nan 8.150 nan 0.000 0.498 50 E N -0.709 119.516 120.200 0.041 0.000 3.687 50 E HA -0.157 4.193 4.350 -0.000 0.000 0.319 50 E C 0.014 176.629 176.600 0.024 0.000 0.821 50 E CA 1.403 57.834 56.400 0.052 0.000 1.195 50 E CB -1.443 28.282 29.700 0.043 0.000 1.605 50 E HN 0.896 nan 8.360 nan 0.000 0.419 51 E N 0.693 120.894 120.200 0.002 0.000 2.227 51 E HA 0.184 4.534 4.350 -0.000 0.000 0.282 51 E C -0.082 176.484 176.600 -0.057 0.000 1.015 51 E CA -0.600 55.785 56.400 -0.026 0.000 0.823 51 E CB 0.554 30.235 29.700 -0.033 0.000 1.081 51 E HN -0.010 nan 8.360 nan 0.000 0.396 52 M N 4.557 124.105 119.600 -0.086 0.000 2.268 52 M HA 0.063 4.543 4.480 -0.000 0.000 0.349 52 M C -0.045 176.158 176.300 -0.161 0.000 1.485 52 M CA 0.078 55.285 55.300 -0.155 0.000 1.094 52 M CB 0.086 32.587 32.600 -0.165 0.000 1.843 52 M HN 0.378 nan 8.290 nan 0.000 0.460 53 V N 1.300 121.091 119.914 -0.206 0.000 3.093 53 V HA 0.685 4.805 4.120 -0.000 0.000 0.320 53 V C -0.305 175.623 176.094 -0.276 0.000 1.093 53 V CA -0.943 61.212 62.300 -0.242 0.000 1.016 53 V CB 2.201 33.844 31.823 -0.301 0.000 1.096 53 V HN 0.841 nan 8.190 nan 0.000 0.452 54 E N 0.121 120.162 120.200 -0.266 0.000 2.238 54 E HA 0.541 4.891 4.350 -0.000 0.000 0.267 54 E C -1.835 174.633 176.600 -0.219 0.000 0.887 54 E CA -0.676 55.624 56.400 -0.166 0.000 0.769 54 E CB 2.011 31.671 29.700 -0.066 0.000 1.187 54 E HN 0.613 nan 8.360 nan 0.000 0.416 55 F N 0.988 120.930 119.950 -0.013 0.000 2.408 55 F HA 0.208 4.735 4.527 -0.000 0.000 0.325 55 F C 1.880 177.681 175.800 0.003 0.000 1.082 55 F CA -0.396 57.604 58.000 0.000 0.000 1.032 55 F CB 1.343 40.348 39.000 0.009 0.000 1.259 55 F HN 0.475 nan 8.300 nan 0.000 0.503 56 S N 0.324 116.149 115.700 0.208 0.000 2.381 56 S HA -0.242 4.228 4.470 -0.000 0.000 0.230 56 S C 2.025 176.685 174.600 0.100 0.000 1.052 56 S CA 2.123 60.392 58.200 0.115 0.000 1.068 56 S CB -0.486 62.771 63.200 0.095 0.000 0.918 56 S HN 0.678 nan 8.310 nan 0.000 0.448 57 S N -0.073 115.694 115.700 0.111 0.000 2.469 57 S HA 0.138 4.608 4.470 -0.000 0.000 0.238 57 S C 1.735 176.380 174.600 0.075 0.000 0.998 57 S CA 0.892 59.135 58.200 0.071 0.000 0.957 57 S CB -0.401 62.826 63.200 0.044 0.000 0.764 57 S HN 0.863 nan 8.310 nan 0.000 0.514 58 G N 0.153 109.017 108.800 0.107 0.000 2.194 58 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.236 58 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.236 58 G C -0.056 174.911 174.900 0.111 0.000 0.987 58 G CA -0.175 44.978 45.100 0.088 0.000 0.635 58 G HN 0.377 nan 8.290 nan 0.000 0.520 59 L N 1.443 122.757 121.223 0.152 0.000 2.456 59 L HA 0.455 4.795 4.340 -0.000 0.000 0.272 59 L C 1.043 178.076 176.870 0.273 0.000 1.189 59 L CA 0.513 55.456 54.840 0.171 0.000 0.846 59 L CB 0.595 42.708 42.059 0.091 0.000 1.111 59 L HN 0.236 nan 8.230 nan 0.000 0.475 60 K N 1.257 121.756 120.400 0.165 0.000 2.090 60 K HA 0.750 5.070 4.320 -0.000 0.000 0.250 60 K C -0.044 176.616 176.600 0.099 0.000 1.004 60 K CA -0.444 55.853 56.287 0.016 0.000 0.919 60 K CB 1.007 33.374 32.500 -0.221 0.000 1.045 60 K HN 0.721 nan 8.250 nan 0.000 0.471 61 G N 0.577 109.323 108.800 -0.090 0.000 2.742 61 G HA2 0.492 4.452 3.960 -0.000 0.000 0.296 61 G HA3 0.492 4.452 3.960 -0.000 0.000 0.296 61 G C -1.772 173.044 174.900 -0.142 0.000 1.436 61 G CA -0.770 44.375 45.100 0.075 0.000 0.928 61 G HN 0.451 nan 8.290 nan 0.000 0.520 62 M N 1.600 121.233 119.600 0.056 0.000 2.227 62 M HA 0.450 4.930 4.480 -0.000 0.000 0.335 62 M C -0.044 176.322 176.300 0.111 0.000 1.053 62 M CA -0.560 54.787 55.300 0.078 0.000 0.973 62 M CB 1.495 34.267 32.600 0.287 0.000 1.623 62 M HN 0.348 nan 8.290 nan 0.000 0.434 63 S N 6.055 121.783 115.700 0.047 0.000 3.065 63 S HA 0.188 4.658 4.470 -0.000 0.000 0.311 63 S C 1.133 175.772 174.600 0.064 0.000 1.204 63 S CA -0.393 57.832 58.200 0.041 0.000 1.040 63 S CB -0.261 62.939 63.200 -0.000 0.000 1.436 63 S HN 0.722 nan 8.310 nan 0.000 0.532 64 L N 1.521 122.795 121.223 0.085 0.000 2.209 64 L HA 0.125 4.465 4.340 -0.000 0.000 0.207 64 L C 0.226 177.131 176.870 0.059 0.000 1.094 64 L CA 0.828 55.720 54.840 0.085 0.000 0.790 64 L CB -0.119 41.992 42.059 0.087 0.000 0.932 64 L HN 0.419 nan 8.230 nan 0.000 0.447 65 N N -0.139 118.588 118.700 0.044 0.000 2.342 65 N HA 0.447 5.187 4.740 -0.000 0.000 0.293 65 N C -1.131 174.394 175.510 0.025 0.000 1.026 65 N CA -0.235 52.834 53.050 0.032 0.000 0.857 65 N CB 1.757 40.259 38.487 0.025 0.000 1.256 65 N HN -0.061 nan 8.380 nan 0.000 0.484 66 L N 1.906 123.141 121.223 0.020 0.000 2.324 66 L HA 0.486 4.825 4.340 -0.000 0.000 0.274 66 L C -0.004 176.870 176.870 0.007 0.000 1.012 66 L CA -0.504 54.341 54.840 0.009 0.000 0.859 66 L CB 1.013 43.076 42.059 0.007 0.000 1.224 66 L HN 0.367 nan 8.230 nan 0.000 0.429 67 E N 3.169 123.371 120.200 0.004 0.000 2.235 67 E HA 0.327 4.677 4.350 -0.000 0.000 0.265 67 E C -1.716 174.881 176.600 -0.004 0.000 0.940 67 E CA -1.839 54.564 56.400 0.005 0.000 0.819 67 E CB 1.957 31.663 29.700 0.011 0.000 1.206 67 E HN 0.258 nan 8.360 nan 0.000 0.409 68 P HA -0.208 nan 4.420 nan 0.000 0.215 68 P C 0.574 177.866 177.300 -0.013 0.000 1.157 68 P CA 1.463 64.559 63.100 -0.006 0.000 0.874 68 P CB 0.145 31.845 31.700 0.000 0.000 0.790 69 D N -1.860 118.540 120.400 0.000 0.000 2.398 69 D HA 0.044 4.684 4.640 -0.000 0.000 0.210 69 D C 0.082 176.390 176.300 0.015 0.000 1.094 69 D CA -0.080 53.926 54.000 0.011 0.000 0.839 69 D CB -0.469 40.355 40.800 0.040 0.000 0.963 69 D HN 0.374 nan 8.370 nan 0.000 0.506 70 N N -1.665 117.036 118.700 0.002 0.000 3.322 70 N HA 0.308 5.048 4.740 -0.000 0.000 0.233 70 N C -2.030 173.482 175.510 0.005 0.000 1.399 70 N CA -0.963 52.094 53.050 0.012 0.000 0.894 70 N CB 1.512 40.028 38.487 0.047 0.000 1.440 70 N HN -0.215 nan 8.380 nan 0.000 0.503 71 V N -0.027 119.893 119.914 0.010 0.000 2.459 71 V HA 0.768 4.888 4.120 -0.000 0.000 0.295 71 V C 0.565 176.680 176.094 0.035 0.000 1.029 71 V CA -0.542 61.765 62.300 0.011 0.000 0.874 71 V CB 1.349 33.167 31.823 -0.007 0.000 0.985 71 V HN 0.886 nan 8.190 nan 0.000 0.438 72 G N 3.967 112.790 108.800 0.037 0.000 2.393 72 G HA2 0.498 4.458 3.960 -0.000 0.000 0.311 72 G HA3 0.498 4.458 3.960 -0.000 0.000 0.311 72 G C -0.568 174.376 174.900 0.073 0.000 1.067 72 G CA -0.172 44.959 45.100 0.052 0.000 1.000 72 G HN 0.533 nan 8.290 nan 0.000 0.422 73 V N 3.355 123.335 119.914 0.109 0.000 2.394 73 V HA 0.262 4.382 4.120 -0.000 0.000 0.282 73 V C 0.231 176.450 176.094 0.208 0.000 1.031 73 V CA -0.851 61.544 62.300 0.159 0.000 0.881 73 V CB 1.689 33.634 31.823 0.204 0.000 0.982 73 V HN 0.398 nan 8.190 nan 0.000 0.451 74 V N 6.328 126.380 119.914 0.230 0.000 2.364 74 V HA 0.287 4.407 4.120 -0.000 0.000 0.272 74 V C 0.050 176.368 176.094 0.373 0.000 1.036 74 V CA -0.150 62.295 62.300 0.241 0.000 0.880 74 V CB 1.845 33.801 31.823 0.222 0.000 0.991 74 V HN 0.679 nan 8.190 nan 0.000 0.460 75 V N 7.341 127.420 119.914 0.275 0.000 2.461 75 V HA 0.272 4.392 4.120 -0.000 0.000 0.275 75 V C 0.090 176.398 176.094 0.358 0.000 1.047 75 V CA -0.293 62.182 62.300 0.292 0.000 0.955 75 V CB 1.015 32.867 31.823 0.049 0.000 0.988 75 V HN 0.698 nan 8.190 nan 0.000 0.471 76 F N 4.773 124.783 119.950 0.101 0.000 2.669 76 F HA 0.633 5.160 4.527 -0.000 0.000 0.353 76 F C 1.047 176.878 175.800 0.051 0.000 1.192 76 F CA 0.144 58.197 58.000 0.088 0.000 1.317 76 F CB -0.101 38.963 39.000 0.107 0.000 1.652 76 F HN 0.755 nan 8.300 nan 0.000 0.608 77 G N 0.527 109.411 108.800 0.140 0.000 2.339 77 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.275 77 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.275 77 G C -1.463 173.448 174.900 0.017 0.000 1.323 77 G CA -1.183 43.959 45.100 0.071 0.000 0.927 77 G HN 0.100 nan 8.290 nan 0.000 0.486 78 N N 1.315 120.013 118.700 -0.003 0.000 2.458 78 N HA 0.185 4.924 4.740 -0.000 0.000 0.270 78 N C 0.739 176.212 175.510 -0.062 0.000 1.102 78 N CA 0.111 53.146 53.050 -0.024 0.000 0.967 78 N CB 0.983 39.461 38.487 -0.016 0.000 1.078 78 N HN 0.516 nan 8.380 nan 0.000 0.471 79 D N 3.059 123.418 120.400 -0.068 0.000 2.350 79 D HA -0.178 4.462 4.640 -0.000 0.000 0.216 79 D C 1.418 177.666 176.300 -0.086 0.000 0.968 79 D CA 0.415 54.353 54.000 -0.103 0.000 0.894 79 D CB 0.393 41.146 40.800 -0.079 0.000 0.909 79 D HN 0.641 nan 8.370 nan 0.000 0.520 80 K N 1.699 122.065 120.400 -0.057 0.000 2.113 80 K HA -0.167 4.153 4.320 -0.000 0.000 0.208 80 K C 1.746 178.317 176.600 -0.047 0.000 1.047 80 K CA 0.901 57.163 56.287 -0.041 0.000 0.928 80 K CB -0.187 32.297 32.500 -0.026 0.000 0.716 80 K HN 0.180 nan 8.250 nan 0.000 0.446 81 L N 1.460 122.645 121.223 -0.062 0.000 2.645 81 L HA 0.241 4.581 4.340 -0.000 0.000 0.235 81 L C 0.128 176.949 176.870 -0.082 0.000 1.150 81 L CA -0.079 54.727 54.840 -0.057 0.000 0.911 81 L CB 0.017 42.048 42.059 -0.047 0.000 1.077 81 L HN 0.135 nan 8.230 nan 0.000 0.438 82 I N 0.144 120.645 120.570 -0.116 0.000 2.466 82 I HA 0.327 4.497 4.170 -0.000 0.000 0.289 82 I C -0.413 175.669 176.117 -0.058 0.000 1.026 82 I CA -0.549 60.674 61.300 -0.129 0.000 1.078 82 I CB 1.653 39.464 38.000 -0.317 0.000 1.249 82 I HN 0.007 nan 8.210 nan 0.000 0.429 83 K N 4.341 124.734 120.400 -0.011 0.000 2.350 83 K HA 0.417 4.737 4.320 -0.000 0.000 0.241 83 K C -0.617 175.999 176.600 0.026 0.000 0.994 83 K CA -0.996 55.293 56.287 0.003 0.000 0.839 83 K CB 2.200 34.703 32.500 0.005 0.000 1.244 83 K HN 0.527 nan 8.250 nan 0.000 0.443 84 E N 0.228 120.440 120.200 0.021 0.000 2.608 84 E HA -0.081 4.268 4.350 -0.000 0.000 0.259 84 E C 0.531 177.148 176.600 0.030 0.000 0.951 84 E CA 1.440 57.856 56.400 0.027 0.000 0.945 84 E CB -0.021 29.687 29.700 0.013 0.000 0.916 84 E HN 0.792 nan 8.360 nan 0.000 0.477 85 G N 3.939 112.762 108.800 0.039 0.000 2.195 85 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.246 85 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.246 85 G C -0.221 174.711 174.900 0.053 0.000 0.984 85 G CA 0.115 45.235 45.100 0.034 0.000 0.633 85 G HN 0.662 nan 8.290 nan 0.000 0.525 86 D N 0.749 121.195 120.400 0.077 0.000 2.455 86 D HA 0.396 5.036 4.640 -0.000 0.000 0.241 86 D C 1.014 177.378 176.300 0.107 0.000 1.138 86 D CA 0.060 54.120 54.000 0.100 0.000 0.877 86 D CB 0.538 41.425 40.800 0.144 0.000 1.187 86 D HN 0.309 nan 8.370 nan 0.000 0.451 87 I N 1.885 122.502 120.570 0.079 0.000 2.556 87 I HA 0.049 4.219 4.170 -0.000 0.000 0.284 87 I C 0.024 176.158 176.117 0.028 0.000 1.114 87 I CA -0.114 61.215 61.300 0.049 0.000 1.418 87 I CB 0.604 38.623 38.000 0.031 0.000 1.394 87 I HN 0.010 nan 8.210 nan 0.000 0.552 88 V N 6.658 126.551 119.914 -0.035 0.000 2.378 88 V HA 0.406 4.526 4.120 -0.000 0.000 0.288 88 V C 0.097 176.108 176.094 -0.140 0.000 1.016 88 V CA -0.991 61.206 62.300 -0.171 0.000 0.840 88 V CB 0.965 32.618 31.823 -0.283 0.000 0.994 88 V HN 0.602 nan 8.190 nan 0.000 0.431 89 K N 3.618 123.936 120.400 -0.138 0.000 2.098 89 K HA 0.617 4.937 4.320 -0.000 0.000 0.258 89 K C -0.165 176.362 176.600 -0.122 0.000 0.973 89 K CA -0.823 55.404 56.287 -0.101 0.000 0.898 89 K CB 1.828 34.289 32.500 -0.066 0.000 1.057 89 K HN 0.553 nan 8.250 nan 0.000 0.447 90 R N 0.617 121.062 120.500 -0.091 0.000 2.441 90 R HA 0.032 4.371 4.340 -0.000 0.000 0.284 90 R C 1.327 177.582 176.300 -0.075 0.000 1.070 90 R CA -0.012 56.035 56.100 -0.088 0.000 1.047 90 R CB 0.841 31.101 30.300 -0.066 0.000 1.016 90 R HN 0.839 nan 8.270 nan 0.000 0.477 91 T N -1.283 113.224 114.554 -0.079 0.000 2.866 91 T HA 0.150 4.500 4.350 -0.000 0.000 0.250 91 T C 1.443 176.114 174.700 -0.048 0.000 1.033 91 T CA 0.847 62.909 62.100 -0.064 0.000 1.145 91 T CB 0.128 68.953 68.868 -0.073 0.000 0.866 91 T HN 0.755 nan 8.240 nan 0.000 0.434 92 G N 1.826 110.597 108.800 -0.048 0.000 2.611 92 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.208 92 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.208 92 G C 0.652 175.532 174.900 -0.034 0.000 1.201 92 G CA -0.084 44.994 45.100 -0.037 0.000 0.739 92 G HN 1.402 nan 8.290 nan 0.000 0.528 93 A N 1.729 124.529 122.820 -0.034 0.000 2.594 93 A HA 0.520 4.840 4.320 -0.000 0.000 0.291 93 A C 0.919 178.482 177.584 -0.035 0.000 1.374 93 A CA 0.761 52.780 52.037 -0.030 0.000 1.025 93 A CB -0.587 18.396 19.000 -0.029 0.000 1.072 93 A HN 1.049 nan 8.150 nan 0.000 0.555 94 I N 2.230 122.783 120.570 -0.027 0.000 3.473 94 I HA 0.053 4.223 4.170 -0.000 0.000 0.251 94 I C 0.373 176.479 176.117 -0.018 0.000 1.240 94 I CA -0.166 61.118 61.300 -0.026 0.000 1.030 94 I CB 0.840 38.828 38.000 -0.019 0.000 1.541 94 I HN 0.322 nan 8.210 nan 0.000 0.805 95 V N 4.148 124.056 119.914 -0.009 0.000 2.415 95 V HA 0.129 4.249 4.120 -0.000 0.000 0.267 95 V C -0.298 175.802 176.094 0.009 0.000 1.042 95 V CA -0.084 62.223 62.300 0.011 0.000 1.000 95 V CB -0.159 31.688 31.823 0.041 0.000 1.015 95 V HN 0.668 nan 8.190 nan 0.000 0.478 96 D N 4.565 124.974 120.400 0.014 0.000 2.732 96 D HA 0.622 5.262 4.640 -0.000 0.000 0.229 96 D C -0.698 175.614 176.300 0.021 0.000 1.152 96 D CA -0.479 53.529 54.000 0.014 0.000 0.854 96 D CB 2.563 43.366 40.800 0.006 0.000 1.590 96 D HN 0.409 nan 8.370 nan 0.000 0.468 97 V N -3.075 116.851 119.914 0.021 0.000 3.001 97 V HA 0.704 4.824 4.120 -0.000 0.000 0.314 97 V C -2.867 173.227 176.094 -0.000 0.000 1.099 97 V CA -2.416 59.895 62.300 0.019 0.000 0.989 97 V CB 1.681 33.523 31.823 0.031 0.000 1.040 97 V HN 0.453 nan 8.190 nan 0.000 0.434 98 P HA 0.248 nan 4.420 nan 0.000 0.265 98 P C -0.715 176.543 177.300 -0.071 0.000 1.193 98 P CA 0.271 63.348 63.100 -0.039 0.000 0.765 98 P CB 1.201 32.880 31.700 -0.035 0.000 0.823 99 V N 2.629 122.463 119.914 -0.135 0.000 2.760 99 V HA 0.864 4.984 4.120 -0.000 0.000 0.309 99 V C 0.169 175.938 176.094 -0.540 0.000 1.077 99 V CA 0.299 62.451 62.300 -0.247 0.000 0.910 99 V CB 1.990 33.734 31.823 -0.132 0.000 1.008 99 V HN 1.007 nan 8.190 nan 0.000 0.424 100 G N 3.687 112.007 108.800 -0.800 0.000 2.352 100 G HA2 0.132 4.092 3.960 -0.000 0.000 0.302 100 G HA3 0.132 4.092 3.960 -0.000 0.000 0.302 100 G C -0.225 174.354 174.900 -0.536 0.000 1.370 100 G CA -0.184 44.300 45.100 -1.027 0.000 0.918 100 G HN 0.605 nan 8.290 nan 0.000 0.610 101 E N 0.013 120.000 120.200 -0.355 0.000 2.478 101 E HA -0.042 4.307 4.350 -0.000 0.000 0.198 101 E C 2.038 178.636 176.600 -0.004 0.000 1.046 101 E CA 0.994 57.365 56.400 -0.047 0.000 0.870 101 E CB 0.187 29.907 29.700 0.033 0.000 0.818 101 E HN 0.584 nan 8.360 nan 0.000 0.527 102 E N 0.676 120.834 120.200 -0.070 0.000 2.347 102 E HA -0.145 4.205 4.350 -0.000 0.000 0.196 102 E C 1.754 178.350 176.600 -0.007 0.000 1.008 102 E CA 0.566 56.949 56.400 -0.029 0.000 0.852 102 E CB -0.145 29.527 29.700 -0.046 0.000 0.783 102 E HN 0.358 nan 8.360 nan 0.000 0.505 103 L N 0.738 121.956 121.223 -0.008 0.000 2.395 103 L HA 0.103 4.443 4.340 -0.000 0.000 0.218 103 L C 1.355 178.265 176.870 0.066 0.000 1.130 103 L CA 0.000 54.855 54.840 0.024 0.000 0.826 103 L CB -0.235 41.838 42.059 0.023 0.000 0.941 103 L HN 0.022 nan 8.230 nan 0.000 0.451 104 L N 0.520 121.806 121.223 0.105 0.000 2.543 104 L HA -0.009 4.331 4.340 -0.000 0.000 0.285 104 L C 1.492 178.402 176.870 0.067 0.000 1.236 104 L CA 0.822 55.739 54.840 0.128 0.000 0.871 104 L CB -0.037 42.145 42.059 0.205 0.000 1.121 104 L HN 0.392 nan 8.230 nan 0.000 0.501 105 G N 1.711 110.530 108.800 0.031 0.000 2.175 105 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.265 105 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.265 105 G C 0.390 175.290 174.900 0.000 0.000 0.979 105 G CA -0.007 45.088 45.100 -0.007 0.000 0.663 105 G HN 0.481 nan 8.290 nan 0.000 0.533 106 R N -0.841 119.669 120.500 0.017 0.000 2.758 106 R HA 0.722 5.062 4.340 -0.000 0.000 0.265 106 R C -0.208 176.104 176.300 0.021 0.000 1.016 106 R CA -0.878 55.232 56.100 0.016 0.000 1.040 106 R CB 1.572 31.884 30.300 0.020 0.000 1.152 106 R HN 0.209 nan 8.270 nan 0.000 0.503 107 V N 2.335 122.261 119.914 0.020 0.000 2.407 107 V HA 0.382 4.501 4.120 -0.000 0.000 0.291 107 V C -0.015 176.098 176.094 0.031 0.000 1.018 107 V CA -0.767 61.550 62.300 0.028 0.000 0.842 107 V CB 1.503 33.340 31.823 0.024 0.000 0.996 107 V HN 0.580 nan 8.190 nan 0.000 0.426 108 V N 1.297 121.234 119.914 0.038 0.000 3.046 108 V HA 0.829 4.949 4.120 -0.000 0.000 0.316 108 V C -0.230 175.889 176.094 0.041 0.000 1.104 108 V CA -0.798 61.524 62.300 0.037 0.000 1.006 108 V CB 2.117 33.961 31.823 0.035 0.000 1.058 108 V HN 0.767 nan 8.190 nan 0.000 0.440 109 D N 2.064 122.488 120.400 0.041 0.000 2.425 109 D HA 0.449 5.089 4.640 -0.000 0.000 0.274 109 D C 1.122 177.449 176.300 0.045 0.000 1.242 109 D CA 0.104 54.130 54.000 0.043 0.000 1.060 109 D CB 0.974 41.803 40.800 0.047 0.000 1.112 109 D HN 0.832 nan 8.370 nan 0.000 0.561 110 A N -0.966 121.881 122.820 0.045 0.000 2.119 110 A HA 0.066 4.386 4.320 -0.000 0.000 0.217 110 A C 2.012 179.636 177.584 0.066 0.000 1.153 110 A CA 0.518 52.582 52.037 0.045 0.000 0.692 110 A CB -0.624 18.392 19.000 0.026 0.000 0.799 110 A HN 0.504 nan 8.150 nan 0.000 0.458 111 L N -1.662 119.609 121.223 0.081 0.000 2.667 111 L HA 0.269 4.609 4.340 -0.000 0.000 0.232 111 L C 1.538 178.444 176.870 0.060 0.000 1.138 111 L CA 0.504 55.397 54.840 0.088 0.000 0.921 111 L CB 0.055 42.187 42.059 0.122 0.000 1.180 111 L HN 0.527 nan 8.230 nan 0.000 0.487 112 G N 0.016 108.846 108.800 0.049 0.000 2.176 112 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.253 112 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.253 112 G C 0.221 175.139 174.900 0.031 0.000 0.979 112 G CA -0.285 44.836 45.100 0.035 0.000 0.641 112 G HN 0.420 nan 8.290 nan 0.000 0.530 113 N N 1.283 120.006 118.700 0.038 0.000 2.492 113 N HA 0.423 5.163 4.740 -0.000 0.000 0.262 113 N C 0.642 176.170 175.510 0.029 0.000 1.202 113 N CA 0.761 53.831 53.050 0.033 0.000 0.926 113 N CB 1.070 39.581 38.487 0.040 0.000 1.078 113 N HN 0.713 nan 8.380 nan 0.000 0.454 114 A N 2.203 125.036 122.820 0.023 0.000 2.454 114 A HA 0.253 4.573 4.320 -0.000 0.000 0.260 114 A C 1.129 178.726 177.584 0.022 0.000 1.106 114 A CA -0.270 51.780 52.037 0.021 0.000 0.780 114 A CB -0.505 18.504 19.000 0.015 0.000 1.044 114 A HN 0.794 nan 8.150 nan 0.000 0.498 115 I N -0.578 120.005 120.570 0.023 0.000 3.947 115 I HA 0.291 4.461 4.170 -0.000 0.000 0.327 115 I C 0.269 176.397 176.117 0.018 0.000 1.519 115 I CA -0.143 61.171 61.300 0.022 0.000 1.122 115 I CB 0.665 38.682 38.000 0.027 0.000 1.146 115 I HN 0.413 nan 8.210 nan 0.000 0.442 116 D N 0.687 121.096 120.400 0.015 0.000 2.379 116 D HA 0.188 4.828 4.640 -0.000 0.000 0.208 116 D C 1.744 178.048 176.300 0.007 0.000 1.065 116 D CA 0.514 54.520 54.000 0.010 0.000 0.848 116 D CB 0.155 40.959 40.800 0.007 0.000 0.949 116 D HN 0.387 nan 8.370 nan 0.000 0.509 117 G N 1.107 109.912 108.800 0.009 0.000 2.189 117 G HA2 -0.409 3.551 3.960 -0.000 0.000 0.267 117 G HA3 -0.409 3.551 3.960 -0.000 0.000 0.267 117 G C 0.815 175.719 174.900 0.006 0.000 0.975 117 G CA 0.517 45.621 45.100 0.008 0.000 0.644 117 G HN 0.458 nan 8.290 nan 0.000 0.537 118 K N 0.877 121.280 120.400 0.005 0.000 2.706 118 K HA 0.430 4.750 4.320 -0.000 0.000 0.217 118 K C 1.520 178.123 176.600 0.005 0.000 1.019 118 K CA 0.533 56.822 56.287 0.004 0.000 1.181 118 K CB -0.383 32.118 32.500 0.002 0.000 0.940 118 K HN 1.421 nan 8.250 nan 0.000 0.491 119 G N 1.913 110.717 108.800 0.006 0.000 2.698 119 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.225 119 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.225 119 G C -2.781 172.123 174.900 0.006 0.000 1.345 119 G CA -1.135 43.968 45.100 0.006 0.000 0.871 119 G HN 0.108 nan 8.290 nan 0.000 0.540 120 P HA 0.537 nan 4.420 nan 0.000 0.276 120 P C 0.335 177.636 177.300 0.002 0.000 1.244 120 P CA -0.560 62.543 63.100 0.004 0.000 0.801 120 P CB 0.721 32.423 31.700 0.003 0.000 1.006 121 I N -1.839 118.731 120.570 -0.000 0.000 2.396 121 I HA 0.409 4.579 4.170 -0.000 0.000 0.292 121 I C 0.673 176.782 176.117 -0.013 0.000 0.999 121 I CA -0.556 60.741 61.300 -0.006 0.000 1.310 121 I CB 0.810 38.805 38.000 -0.007 0.000 1.404 121 I HN 0.441 nan 8.210 nan 0.000 0.496 122 G N 4.782 113.571 108.800 -0.018 0.000 3.263 122 G HA2 0.082 4.042 3.960 -0.000 0.000 0.246 122 G HA3 0.082 4.042 3.960 -0.000 0.000 0.246 122 G C 0.389 175.267 174.900 -0.037 0.000 0.982 122 G CA -0.413 44.674 45.100 -0.022 0.000 1.897 122 G HN 0.774 nan 8.290 nan 0.000 0.624 123 S N 0.286 115.963 115.700 -0.038 0.000 3.448 123 S HA -0.054 4.416 4.470 -0.000 0.000 0.408 123 S C 1.303 175.873 174.600 -0.051 0.000 1.128 123 S CA 0.245 58.414 58.200 -0.051 0.000 1.339 123 S CB 0.919 64.098 63.200 -0.035 0.000 0.915 123 S HN 0.588 nan 8.310 nan 0.000 0.546 124 K N 1.130 121.486 120.400 -0.074 0.000 2.242 124 K HA 0.255 4.575 4.320 -0.000 0.000 0.200 124 K C 0.744 177.320 176.600 -0.041 0.000 1.050 124 K CA 0.703 56.959 56.287 -0.052 0.000 0.981 124 K CB 0.325 32.794 32.500 -0.052 0.000 0.795 124 K HN 0.698 nan 8.250 nan 0.000 0.477 125 A N 1.165 123.946 122.820 -0.065 0.000 2.556 125 A HA 0.662 4.982 4.320 -0.000 0.000 0.294 125 A C -1.116 176.442 177.584 -0.043 0.000 1.091 125 A CA -0.845 51.175 52.037 -0.029 0.000 0.704 125 A CB 1.405 20.420 19.000 0.026 0.000 1.300 125 A HN 0.043 nan 8.150 nan 0.000 0.406 126 R N 0.132 120.625 120.500 -0.013 0.000 2.807 126 R HA 0.775 5.114 4.340 -0.000 0.000 0.276 126 R C -0.656 175.650 176.300 0.009 0.000 0.979 126 R CA -0.875 55.218 56.100 -0.011 0.000 0.928 126 R CB 2.648 32.944 30.300 -0.007 0.000 1.191 126 R HN 0.799 nan 8.270 nan 0.000 0.471 127 R N 1.272 121.779 120.500 0.012 0.000 2.651 127 R HA 0.354 4.694 4.340 -0.000 0.000 0.278 127 R C -0.963 175.349 176.300 0.020 0.000 1.010 127 R CA -0.806 55.307 56.100 0.023 0.000 0.896 127 R CB 1.977 32.301 30.300 0.040 0.000 1.211 127 R HN 0.571 nan 8.270 nan 0.000 0.456 128 R N 1.396 121.906 120.500 0.015 0.000 2.590 128 R HA 0.018 4.358 4.340 -0.000 0.000 0.274 128 R C 1.520 177.827 176.300 0.013 0.000 1.061 128 R CA 0.315 56.420 56.100 0.008 0.000 1.081 128 R CB 1.038 31.337 30.300 -0.002 0.000 0.984 128 R HN 0.601 nan 8.270 nan 0.000 0.448 129 V N 0.809 120.727 119.914 0.006 0.000 2.591 129 V HA 0.113 4.233 4.120 -0.000 0.000 0.249 129 V C 0.831 176.907 176.094 -0.029 0.000 1.053 129 V CA 1.453 63.764 62.300 0.019 0.000 1.068 129 V CB -0.167 31.674 31.823 0.031 0.000 0.689 129 V HN 0.702 nan 8.190 nan 0.000 0.462 130 G N 1.437 110.185 108.800 -0.086 0.000 2.504 130 G HA2 0.628 4.588 3.960 -0.000 0.000 0.326 130 G HA3 0.628 4.588 3.960 -0.000 0.000 0.326 130 G C -0.982 173.877 174.900 -0.069 0.000 1.073 130 G CA -0.415 44.596 45.100 -0.148 0.000 1.030 130 G HN 0.360 nan 8.290 nan 0.000 0.448 131 L N 1.631 122.830 121.223 -0.040 0.000 2.431 131 L HA 0.445 4.785 4.340 -0.000 0.000 0.266 131 L C 0.188 177.059 176.870 0.001 0.000 0.978 131 L CA -1.109 53.725 54.840 -0.009 0.000 0.822 131 L CB 2.846 44.912 42.059 0.011 0.000 1.310 131 L HN 0.450 nan 8.230 nan 0.000 0.409 132 K N 1.969 122.373 120.400 0.007 0.000 2.436 132 K HA 0.388 4.708 4.320 -0.000 0.000 0.275 132 K C 0.121 176.733 176.600 0.021 0.000 0.999 132 K CA -0.116 56.182 56.287 0.019 0.000 0.980 132 K CB 1.056 33.570 32.500 0.023 0.000 0.919 132 K HN 0.667 nan 8.250 nan 0.000 0.484 133 A N 4.993 127.828 122.820 0.026 0.000 2.406 133 A HA 0.262 4.582 4.320 -0.000 0.000 0.243 133 A C -2.166 175.415 177.584 -0.004 0.000 1.082 133 A CA -1.166 50.881 52.037 0.018 0.000 0.786 133 A CB -0.493 18.522 19.000 0.024 0.000 1.029 133 A HN 0.654 nan 8.150 nan 0.000 0.495 134 P HA 0.217 nan 4.420 nan 0.000 0.265 134 P C 0.691 177.949 177.300 -0.070 0.000 1.193 134 P CA 0.536 63.592 63.100 -0.074 0.000 0.765 134 P CB 0.356 31.988 31.700 -0.114 0.000 0.823 135 G N 1.683 110.435 108.800 -0.080 0.000 2.479 135 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.275 135 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.275 135 G C 0.923 175.783 174.900 -0.067 0.000 1.421 135 G CA -0.471 44.596 45.100 -0.055 0.000 1.059 135 G HN 0.516 nan 8.290 nan 0.000 0.535 136 I N -0.781 119.763 120.570 -0.044 0.000 2.439 136 I HA -0.040 4.130 4.170 -0.000 0.000 0.251 136 I C 2.183 178.269 176.117 -0.051 0.000 1.139 136 I CA 0.583 61.860 61.300 -0.038 0.000 1.438 136 I CB 0.093 38.083 38.000 -0.016 0.000 1.085 136 I HN 0.228 nan 8.210 nan 0.000 0.427 137 I N 1.421 121.957 120.570 -0.057 0.000 2.400 137 I HA -0.018 4.152 4.170 -0.000 0.000 0.248 137 I C -0.463 175.597 176.117 -0.096 0.000 1.109 137 I CA 1.013 62.287 61.300 -0.043 0.000 1.425 137 I CB -2.748 35.254 38.000 0.003 0.000 1.094 137 I HN 0.202 nan 8.210 nan 0.000 0.425 138 P HA -0.014 nan 4.420 nan 0.000 0.242 138 P C 0.293 177.366 177.300 -0.379 0.000 1.197 138 P CA 0.657 63.385 63.100 -0.621 0.000 0.765 138 P CB 0.022 30.871 31.700 -1.419 0.000 0.936 139 R N 0.011 120.398 120.500 -0.188 0.000 2.596 139 R HA 0.706 5.046 4.340 -0.000 0.000 0.267 139 R C -0.315 175.961 176.300 -0.040 0.000 1.026 139 R CA -0.955 55.084 56.100 -0.102 0.000 1.087 139 R CB 1.276 31.530 30.300 -0.077 0.000 1.132 139 R HN -0.025 nan 8.270 nan 0.000 0.531 140 I N -0.638 119.922 120.570 -0.017 0.000 2.722 140 I HA 0.182 4.352 4.170 -0.000 0.000 0.295 140 I C -0.395 175.720 176.117 -0.003 0.000 1.161 140 I CA -0.217 61.083 61.300 0.001 0.000 1.032 140 I CB 2.392 40.404 38.000 0.019 0.000 1.244 140 I HN 0.520 nan 8.210 nan 0.000 0.421 141 S N 3.481 119.179 115.700 -0.003 0.000 2.558 141 S HA 0.053 4.523 4.470 -0.000 0.000 0.297 141 S C -0.223 174.370 174.600 -0.012 0.000 1.283 141 S CA -0.194 58.002 58.200 -0.007 0.000 1.044 141 S CB 0.220 63.417 63.200 -0.005 0.000 0.789 141 S HN 0.437 nan 8.310 nan 0.000 0.500 142 V N 5.354 125.257 119.914 -0.018 0.000 2.427 142 V HA 0.208 4.328 4.120 -0.000 0.000 0.268 142 V C 1.062 177.136 176.094 -0.034 0.000 1.046 142 V CA 0.507 62.789 62.300 -0.030 0.000 0.970 142 V CB 0.666 32.470 31.823 -0.033 0.000 1.001 142 V HN 0.856 nan 8.190 nan 0.000 0.476 143 R N 2.158 122.631 120.500 -0.044 0.000 2.573 143 R HA 0.224 4.564 4.340 -0.000 0.000 0.224 143 R C 0.085 176.346 176.300 -0.066 0.000 0.904 143 R CA -0.339 55.735 56.100 -0.045 0.000 0.995 143 R CB 0.724 31.006 30.300 -0.031 0.000 1.430 143 R HN 0.635 nan 8.270 nan 0.000 0.631 144 E N 3.729 123.873 120.200 -0.093 0.000 2.324 144 E HA 0.115 4.465 4.350 -0.000 0.000 0.271 144 E C -2.441 174.069 176.600 -0.150 0.000 1.028 144 E CA -1.976 54.343 56.400 -0.135 0.000 0.890 144 E CB 0.514 30.095 29.700 -0.198 0.000 1.004 144 E HN -0.086 nan 8.360 nan 0.000 0.431 145 P HA -0.008 nan 4.420 nan 0.000 0.271 145 P C -0.514 176.675 177.300 -0.185 0.000 1.220 145 P CA 0.094 63.110 63.100 -0.139 0.000 0.768 145 P CB 0.451 32.079 31.700 -0.121 0.000 0.848 146 M N 3.757 123.271 119.600 -0.143 0.000 2.480 146 M HA 0.124 4.604 4.480 -0.000 0.000 0.320 146 M C -0.414 175.834 176.300 -0.088 0.000 1.141 146 M CA -0.475 54.740 55.300 -0.141 0.000 1.102 146 M CB 0.020 32.553 32.600 -0.111 0.000 1.249 146 M HN 0.328 nan 8.290 nan 0.000 0.446 147 Q N 1.778 121.521 119.800 -0.094 0.000 2.247 147 Q HA 0.041 4.381 4.340 -0.000 0.000 0.288 147 Q C 1.279 177.312 176.000 0.056 0.000 1.079 147 Q CA 0.497 56.302 55.803 0.004 0.000 0.932 147 Q CB 0.447 29.224 28.738 0.064 0.000 1.133 147 Q HN 0.698 nan 8.270 nan 0.000 0.377 148 T N -1.215 113.362 114.554 0.038 0.000 3.031 148 T HA 0.185 4.535 4.350 -0.000 0.000 0.254 148 T C 1.269 175.997 174.700 0.046 0.000 1.060 148 T CA 0.619 62.740 62.100 0.035 0.000 1.135 148 T CB 0.224 69.100 68.868 0.012 0.000 0.896 148 T HN 0.792 nan 8.240 nan 0.000 0.472 149 G N 1.393 110.222 108.800 0.047 0.000 2.213 149 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.236 149 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.236 149 G C -0.004 174.906 174.900 0.017 0.000 0.991 149 G CA -0.070 45.051 45.100 0.034 0.000 0.629 149 G HN 0.636 nan 8.290 nan 0.000 0.517 150 I N 1.515 122.093 120.570 0.012 0.000 2.342 150 I HA 0.276 4.446 4.170 -0.000 0.000 0.291 150 I C 1.630 177.753 176.117 0.009 0.000 1.010 150 I CA -0.608 60.694 61.300 0.003 0.000 1.308 150 I CB 1.343 39.340 38.000 -0.005 0.000 1.400 150 I HN 0.004 nan 8.210 nan 0.000 0.488 151 K N 4.480 124.887 120.400 0.011 0.000 2.063 151 K HA -0.191 4.129 4.320 -0.000 0.000 0.208 151 K C 1.988 178.597 176.600 0.015 0.000 1.048 151 K CA 1.673 57.969 56.287 0.016 0.000 0.928 151 K CB -0.178 32.333 32.500 0.019 0.000 0.713 151 K HN 0.805 nan 8.250 nan 0.000 0.442 152 A N 1.024 123.851 122.820 0.011 0.000 1.969 152 A HA -0.087 4.233 4.320 -0.000 0.000 0.218 152 A C 2.329 179.923 177.584 0.015 0.000 1.169 152 A CA 1.219 53.264 52.037 0.014 0.000 0.635 152 A CB -0.388 18.621 19.000 0.015 0.000 0.810 152 A HN 0.062 nan 8.150 nan 0.000 0.445 153 V N 0.408 120.328 119.914 0.011 0.000 2.256 153 V HA -0.154 3.966 4.120 -0.000 0.000 0.240 153 V C 2.008 178.106 176.094 0.007 0.000 1.036 153 V CA 1.869 64.173 62.300 0.007 0.000 1.008 153 V CB -0.915 30.908 31.823 0.000 0.000 0.648 153 V HN 0.441 nan 8.190 nan 0.000 0.453 154 D N 0.742 121.147 120.400 0.008 0.000 2.271 154 D HA -0.153 4.487 4.640 -0.000 0.000 0.207 154 D C 2.290 178.596 176.300 0.010 0.000 0.983 154 D CA 1.876 55.881 54.000 0.008 0.000 0.878 154 D CB -0.139 40.670 40.800 0.015 0.000 0.920 154 D HN 0.612 nan 8.370 nan 0.000 0.479 155 S N -1.034 114.674 115.700 0.014 0.000 2.475 155 S HA 0.097 4.567 4.470 -0.000 0.000 0.224 155 S C 1.682 176.291 174.600 0.014 0.000 1.042 155 S CA -0.129 58.081 58.200 0.015 0.000 0.935 155 S CB 0.085 63.297 63.200 0.019 0.000 0.801 155 S HN 0.200 nan 8.310 nan 0.000 0.509 156 L N 1.136 122.368 121.223 0.016 0.000 2.731 156 L HA 0.455 4.794 4.340 -0.000 0.000 0.240 156 L C -0.380 176.503 176.870 0.021 0.000 1.120 156 L CA -0.021 54.831 54.840 0.020 0.000 0.913 156 L CB 1.441 43.515 42.059 0.025 0.000 1.213 156 L HN 0.196 nan 8.230 nan 0.000 0.515 157 V N -0.481 119.442 119.914 0.015 0.000 3.301 157 V HA 0.179 4.299 4.120 -0.000 0.000 0.477 157 V C -2.498 173.595 176.094 -0.002 0.000 1.564 157 V CA -0.937 61.370 62.300 0.011 0.000 1.946 157 V CB 0.318 32.149 31.823 0.012 0.000 1.281 157 V HN -0.011 nan 8.190 nan 0.000 0.655 158 P HA 0.115 nan 4.420 nan 0.000 0.263 158 P C -0.500 176.787 177.300 -0.021 0.000 1.175 158 P CA 0.650 63.742 63.100 -0.012 0.000 0.761 158 P CB 0.927 32.620 31.700 -0.013 0.000 0.794 159 I N 1.899 122.451 120.570 -0.031 0.000 2.648 159 I HA 0.634 4.804 4.170 -0.000 0.000 0.304 159 I C 1.060 177.144 176.117 -0.055 0.000 1.009 159 I CA -0.705 60.571 61.300 -0.040 0.000 1.114 159 I CB 1.253 39.227 38.000 -0.042 0.000 1.293 159 I HN 0.389 nan 8.210 nan 0.000 0.449 160 G N 3.754 112.518 108.800 -0.060 0.000 2.569 160 G HA2 0.539 4.499 3.960 -0.000 0.000 0.300 160 G HA3 0.539 4.499 3.960 -0.000 0.000 0.300 160 G C -0.731 174.114 174.900 -0.091 0.000 1.269 160 G CA -0.967 44.086 45.100 -0.080 0.000 0.959 160 G HN 0.473 nan 8.290 nan 0.000 0.478 161 R N 0.338 120.760 120.500 -0.131 0.000 2.399 161 R HA 0.391 4.731 4.340 -0.000 0.000 0.324 161 R C 1.063 177.310 176.300 -0.087 0.000 1.030 161 R CA 0.853 56.863 56.100 -0.150 0.000 0.984 161 R CB 0.456 30.573 30.300 -0.304 0.000 0.961 161 R HN 1.237 nan 8.270 nan 0.000 0.433 162 G N 1.950 110.720 108.800 -0.050 0.000 2.255 162 G HA2 -0.257 3.702 3.960 -0.000 0.000 0.196 162 G HA3 -0.257 3.702 3.960 -0.000 0.000 0.196 162 G C 0.209 175.097 174.900 -0.021 0.000 0.998 162 G CA -0.266 44.822 45.100 -0.020 0.000 0.656 162 G HN 0.570 nan 8.290 nan 0.000 0.490 163 Q N 0.242 120.023 119.800 -0.032 0.000 2.417 163 Q HA 0.618 4.958 4.340 -0.000 0.000 0.241 163 Q C -0.205 175.779 176.000 -0.026 0.000 1.008 163 Q CA -0.166 55.620 55.803 -0.029 0.000 0.901 163 Q CB 0.355 29.071 28.738 -0.035 0.000 1.259 163 Q HN 0.273 nan 8.270 nan 0.000 0.489 164 R N 2.164 122.649 120.500 -0.025 0.000 2.388 164 R HA 0.317 4.657 4.340 -0.000 0.000 0.314 164 R C -1.505 174.770 176.300 -0.041 0.000 0.959 164 R CA -0.613 55.471 56.100 -0.027 0.000 0.851 164 R CB 1.556 31.845 30.300 -0.018 0.000 1.168 164 R HN 0.485 nan 8.270 nan 0.000 0.472 165 E N 2.863 123.032 120.200 -0.051 0.000 2.182 165 E HA 0.288 4.638 4.350 -0.000 0.000 0.258 165 E C -1.243 175.303 176.600 -0.089 0.000 0.879 165 E CA -0.856 55.504 56.400 -0.067 0.000 0.754 165 E CB 0.835 30.499 29.700 -0.059 0.000 1.162 165 E HN 0.479 nan 8.360 nan 0.000 0.419 166 L N 5.251 126.403 121.223 -0.118 0.000 2.453 166 L HA 0.363 4.703 4.340 -0.000 0.000 0.272 166 L C -0.815 175.953 176.870 -0.170 0.000 1.182 166 L CA 0.406 55.159 54.840 -0.145 0.000 0.858 166 L CB 0.356 42.309 42.059 -0.176 0.000 1.120 166 L HN 0.659 nan 8.230 nan 0.000 0.474 167 I N 6.999 127.488 120.570 -0.135 0.000 2.312 167 I HA 0.392 4.562 4.170 -0.000 0.000 0.290 167 I C -0.290 175.748 176.117 -0.131 0.000 1.008 167 I CA -0.097 61.127 61.300 -0.126 0.000 1.226 167 I CB 1.170 39.127 38.000 -0.073 0.000 1.371 167 I HN 0.565 nan 8.210 nan 0.000 0.468 168 I N 5.546 126.014 120.570 -0.169 0.000 2.619 168 I HA 0.890 5.060 4.170 -0.000 0.000 0.292 168 I C -0.418 175.685 176.117 -0.023 0.000 1.100 168 I CA -0.023 61.206 61.300 -0.119 0.000 1.043 168 I CB 2.009 39.897 38.000 -0.187 0.000 1.239 168 I HN 0.688 nan 8.210 nan 0.000 0.420 169 G N 4.976 113.790 108.800 0.024 0.000 2.316 169 G HA2 0.160 4.120 3.960 -0.000 0.000 0.296 169 G HA3 0.160 4.120 3.960 -0.000 0.000 0.296 169 G C -1.915 173.008 174.900 0.037 0.000 1.399 169 G CA -0.797 44.339 45.100 0.060 0.000 0.833 169 G HN 0.516 nan 8.290 nan 0.000 0.565 170 D N 0.227 120.650 120.400 0.037 0.000 2.369 170 D HA 0.316 4.955 4.640 -0.000 0.000 0.241 170 D C 1.323 177.622 176.300 -0.001 0.000 1.271 170 D CA -0.020 53.993 54.000 0.023 0.000 0.942 170 D CB 0.419 41.234 40.800 0.025 0.000 1.129 170 D HN 0.694 nan 8.370 nan 0.000 0.476 171 R N 0.493 120.992 120.500 -0.000 0.000 2.640 171 R HA -0.030 4.309 4.340 -0.000 0.000 0.270 171 R C -0.111 176.158 176.300 -0.052 0.000 1.024 171 R CA -0.156 55.936 56.100 -0.013 0.000 1.085 171 R CB 0.085 30.384 30.300 -0.001 0.000 0.963 171 R HN 0.203 nan 8.270 nan 0.000 0.426 172 Q N 0.132 119.891 119.800 -0.068 0.000 2.453 172 Q HA -0.168 4.172 4.340 -0.000 0.000 0.294 172 Q C 0.352 176.194 176.000 -0.263 0.000 1.295 172 Q CA 1.722 57.441 55.803 -0.141 0.000 0.853 172 Q CB -1.665 26.994 28.738 -0.131 0.000 1.193 172 Q HN 1.011 nan 8.270 nan 0.000 0.461 173 T N -5.679 108.772 114.554 -0.171 0.000 3.037 173 T HA 0.408 4.758 4.350 -0.000 0.000 0.252 173 T C 1.249 175.913 174.700 -0.060 0.000 1.073 173 T CA 0.851 62.846 62.100 -0.175 0.000 1.091 173 T CB 0.988 69.826 68.868 -0.049 0.000 0.935 173 T HN 0.706 nan 8.240 nan 0.000 0.488 174 G N 1.168 109.950 108.800 -0.030 0.000 2.200 174 G HA2 -0.139 3.820 3.960 -0.000 0.000 0.145 174 G HA3 -0.139 3.820 3.960 -0.000 0.000 0.145 174 G C 0.695 175.605 174.900 0.016 0.000 1.021 174 G CA 0.079 45.203 45.100 0.040 0.000 0.720 174 G HN 0.399 nan 8.290 nan 0.000 0.494 175 K N 0.064 120.467 120.400 0.004 0.000 2.020 175 K HA -0.085 4.235 4.320 -0.000 0.000 0.212 175 K C 2.508 179.117 176.600 0.016 0.000 1.050 175 K CA 2.075 58.364 56.287 0.004 0.000 0.929 175 K CB -0.268 32.231 32.500 -0.001 0.000 0.714 175 K HN 0.290 nan 8.250 nan 0.000 0.443 176 T N 0.795 115.368 114.554 0.031 0.000 2.867 176 T HA -0.081 4.269 4.350 -0.000 0.000 0.268 176 T C 2.003 176.715 174.700 0.019 0.000 1.057 176 T CA 1.400 63.539 62.100 0.064 0.000 1.136 176 T CB -0.151 68.772 68.868 0.091 0.000 0.874 176 T HN 0.199 nan 8.240 nan 0.000 0.466 177 S N 2.060 117.746 115.700 -0.023 0.000 2.359 177 S HA -0.077 4.393 4.470 -0.000 0.000 0.224 177 S C 2.040 176.597 174.600 -0.071 0.000 1.035 177 S CA 0.854 58.998 58.200 -0.094 0.000 1.018 177 S CB -0.460 62.659 63.200 -0.135 0.000 0.876 177 S HN 0.353 nan 8.310 nan 0.000 0.448 178 I N 2.463 123.013 120.570 -0.034 0.000 2.194 178 I HA -0.234 3.936 4.170 -0.000 0.000 0.246 178 I C 2.779 178.893 176.117 -0.006 0.000 1.093 178 I CA 1.539 62.825 61.300 -0.022 0.000 1.355 178 I CB -1.799 36.193 38.000 -0.014 0.000 1.046 178 I HN 0.304 nan 8.210 nan 0.000 0.413 179 A N 1.246 124.077 122.820 0.019 0.000 1.873 179 A HA -0.132 4.188 4.320 -0.000 0.000 0.215 179 A C 2.256 179.867 177.584 0.044 0.000 1.186 179 A CA 1.172 53.242 52.037 0.055 0.000 0.616 179 A CB -0.488 18.593 19.000 0.135 0.000 0.823 179 A HN 0.273 nan 8.150 nan 0.000 0.442 180 I N 0.569 121.144 120.570 0.008 0.000 2.202 180 I HA -0.192 3.978 4.170 -0.000 0.000 0.242 180 I C 1.817 177.938 176.117 0.008 0.000 1.091 180 I CA 1.539 62.833 61.300 -0.011 0.000 1.368 180 I CB -1.704 36.281 38.000 -0.026 0.000 1.058 180 I HN 0.270 nan 8.210 nan 0.000 0.410 181 D N 0.953 121.337 120.400 -0.027 0.000 2.149 181 D HA -0.174 4.466 4.640 -0.000 0.000 0.194 181 D C 2.147 178.460 176.300 0.021 0.000 1.001 181 D CA 1.820 55.813 54.000 -0.012 0.000 0.849 181 D CB -0.375 40.397 40.800 -0.048 0.000 0.939 181 D HN 0.291 nan 8.370 nan 0.000 0.449 182 T N 0.734 115.302 114.554 0.023 0.000 2.788 182 T HA -0.052 4.298 4.350 -0.000 0.000 0.268 182 T C 2.199 176.940 174.700 0.068 0.000 1.044 182 T CA 0.505 62.628 62.100 0.039 0.000 1.139 182 T CB -0.078 68.806 68.868 0.028 0.000 0.867 182 T HN 0.188 nan 8.240 nan 0.000 0.454 183 I N 0.640 121.257 120.570 0.078 0.000 2.353 183 I HA -0.109 4.061 4.170 -0.000 0.000 0.248 183 I C 2.050 178.275 176.117 0.180 0.000 1.119 183 I CA 0.571 61.953 61.300 0.137 0.000 1.417 183 I CB -0.307 37.757 38.000 0.106 0.000 1.078 183 I HN 0.168 nan 8.210 nan 0.000 0.421 184 I N 1.008 121.645 120.570 0.111 0.000 2.052 184 I HA -0.360 3.810 4.170 -0.000 0.000 0.235 184 I C 2.327 178.498 176.117 0.090 0.000 1.046 184 I CA 1.667 63.033 61.300 0.109 0.000 1.308 184 I CB -2.014 36.033 38.000 0.078 0.000 1.031 184 I HN 0.308 nan 8.210 nan 0.000 0.395 185 N N 1.095 119.823 118.700 0.047 0.000 2.171 185 N HA -0.272 4.468 4.740 -0.000 0.000 0.200 185 N C 1.610 177.084 175.510 -0.060 0.000 0.991 185 N CA 1.736 54.786 53.050 0.000 0.000 0.906 185 N CB -0.219 38.300 38.487 0.052 0.000 1.060 185 N HN 0.348 nan 8.380 nan 0.000 0.510 186 Q N 0.205 120.013 119.800 0.013 0.000 2.515 186 Q HA -0.103 4.237 4.340 -0.000 0.000 0.215 186 Q C 1.666 177.482 176.000 -0.308 0.000 0.983 186 Q CA 0.617 56.387 55.803 -0.054 0.000 0.905 186 Q CB -0.271 28.380 28.738 -0.145 0.000 0.961 186 Q HN 0.568 nan 8.270 nan 0.000 0.503 187 K N 1.049 121.318 120.400 -0.218 0.000 2.148 187 K HA -0.105 4.214 4.320 -0.000 0.000 0.204 187 K C 1.768 178.196 176.600 -0.286 0.000 1.050 187 K CA 0.624 56.800 56.287 -0.185 0.000 0.942 187 K CB 0.183 32.693 32.500 0.017 0.000 0.724 187 K HN 0.143 nan 8.250 nan 0.000 0.446 188 R N -0.309 119.915 120.500 -0.461 0.000 2.094 188 R HA -0.159 4.181 4.340 -0.000 0.000 0.239 188 R C 2.250 178.233 176.300 -0.529 0.000 1.137 188 R CA 2.107 57.849 56.100 -0.597 0.000 0.943 188 R CB -0.523 29.168 30.300 -1.015 0.000 0.850 188 R HN 0.176 nan 8.270 nan 0.000 0.433 189 F N 0.759 120.623 119.950 -0.144 0.000 2.293 189 F HA 0.002 4.529 4.527 -0.000 0.000 0.297 189 F C 2.016 177.709 175.800 -0.178 0.000 1.089 189 F CA 0.506 58.420 58.000 -0.143 0.000 1.377 189 F CB -0.552 38.361 39.000 -0.145 0.000 1.051 189 F HN -0.054 nan 8.300 nan 0.000 0.511 190 N N 0.179 118.792 118.700 -0.145 0.000 2.331 190 N HA -0.123 4.617 4.740 -0.000 0.000 0.180 190 N C 1.112 176.540 175.510 -0.136 0.000 1.019 190 N CA 1.164 54.065 53.050 -0.249 0.000 0.881 190 N CB -0.357 37.779 38.487 -0.585 0.000 0.972 190 N HN 0.222 nan 8.380 nan 0.000 0.435 191 D N -0.306 120.025 120.400 -0.116 0.000 2.333 191 D HA 0.086 4.726 4.640 -0.000 0.000 0.208 191 D C 1.164 177.438 176.300 -0.044 0.000 0.984 191 D CA 0.174 54.137 54.000 -0.062 0.000 0.873 191 D CB -0.097 40.668 40.800 -0.059 0.000 0.935 191 D HN 0.116 nan 8.370 nan 0.000 0.521 192 G N 0.007 108.781 108.800 -0.043 0.000 2.611 192 G HA2 0.218 4.177 3.960 -0.000 0.000 0.273 192 G HA3 0.218 4.177 3.960 -0.000 0.000 0.273 192 G C 1.019 175.924 174.900 0.008 0.000 1.305 192 G CA 0.376 45.469 45.100 -0.011 0.000 1.010 192 G HN 0.162 nan 8.290 nan 0.000 0.509 193 T N -3.077 111.488 114.554 0.017 0.000 3.054 193 T HA 0.116 4.466 4.350 -0.000 0.000 0.255 193 T C 0.531 175.248 174.700 0.028 0.000 1.035 193 T CA 0.190 62.302 62.100 0.020 0.000 0.941 193 T CB 0.391 69.268 68.868 0.015 0.000 1.026 193 T HN 0.334 nan 8.240 nan 0.000 0.533 194 D N 2.221 122.644 120.400 0.038 0.000 2.558 194 D HA 0.154 4.794 4.640 -0.000 0.000 0.221 194 D C 0.935 177.260 176.300 0.041 0.000 1.143 194 D CA -0.134 53.889 54.000 0.039 0.000 1.010 194 D CB 0.319 41.146 40.800 0.045 0.000 1.068 194 D HN 0.396 nan 8.370 nan 0.000 0.511 195 E N 1.007 121.232 120.200 0.040 0.000 2.233 195 E HA -0.243 4.107 4.350 -0.000 0.000 0.199 195 E C 1.252 177.886 176.600 0.057 0.000 1.004 195 E CA 1.119 57.549 56.400 0.050 0.000 0.819 195 E CB 0.332 30.063 29.700 0.053 0.000 0.738 195 E HN 0.290 nan 8.360 nan 0.000 0.478 196 K N 0.624 121.055 120.400 0.051 0.000 2.211 196 K HA -0.067 4.253 4.320 -0.000 0.000 0.203 196 K C 1.671 178.331 176.600 0.101 0.000 1.050 196 K CA 0.831 57.164 56.287 0.077 0.000 0.945 196 K CB 0.104 32.641 32.500 0.060 0.000 0.732 196 K HN -0.039 nan 8.250 nan 0.000 0.451 197 K N 0.710 121.128 120.400 0.028 0.000 2.400 197 K HA 0.067 4.387 4.320 -0.000 0.000 0.194 197 K C -0.065 176.497 176.600 -0.064 0.000 1.033 197 K CA 0.154 56.396 56.287 -0.074 0.000 1.021 197 K CB 0.274 32.705 32.500 -0.114 0.000 0.808 197 K HN 0.112 nan 8.250 nan 0.000 0.505 198 K N 1.285 121.693 120.400 0.013 0.000 2.380 198 K HA 0.054 4.374 4.320 -0.000 0.000 0.267 198 K C -0.473 176.082 176.600 -0.075 0.000 0.990 198 K CA 0.052 56.302 56.287 -0.062 0.000 0.946 198 K CB 0.419 32.878 32.500 -0.068 0.000 0.937 198 K HN -0.153 nan 8.250 nan 0.000 0.491 199 L N 3.532 124.597 121.223 -0.264 0.000 2.541 199 L HA 0.275 4.615 4.340 -0.000 0.000 0.266 199 L C -1.715 174.951 176.870 -0.339 0.000 0.966 199 L CA -0.421 54.310 54.840 -0.182 0.000 0.871 199 L CB 0.791 42.785 42.059 -0.108 0.000 1.232 199 L HN 0.428 nan 8.230 nan 0.000 0.408 200 Y N 3.090 123.261 120.300 -0.216 0.000 2.309 200 Y HA 0.493 5.043 4.550 -0.000 0.000 0.327 200 Y C 0.658 176.467 175.900 -0.151 0.000 1.172 200 Y CA -0.045 57.898 58.100 -0.262 0.000 1.280 200 Y CB 0.920 38.901 38.460 -0.798 0.000 1.234 200 Y HN 0.532 nan 8.280 nan 0.000 0.512 201 C N 4.137 123.511 119.300 0.124 0.000 2.435 201 C HA 0.720 5.180 4.460 -0.000 0.000 0.333 201 C C -0.124 174.911 174.990 0.075 0.000 1.202 201 C CA -1.162 57.912 59.018 0.092 0.000 1.830 201 C CB 0.364 28.194 27.740 0.149 0.000 2.326 201 C HN 0.634 nan 8.230 nan 0.000 0.507 202 I N 1.992 122.588 120.570 0.043 0.000 2.468 202 I HA 0.252 4.422 4.170 -0.000 0.000 0.285 202 I C -1.162 174.967 176.117 0.020 0.000 1.039 202 I CA -0.428 60.898 61.300 0.042 0.000 1.074 202 I CB 1.059 39.076 38.000 0.028 0.000 1.228 202 I HN 0.637 nan 8.210 nan 0.000 0.436 203 Y N 7.224 127.497 120.300 -0.044 0.000 2.369 203 Y HA 0.566 5.116 4.550 -0.000 0.000 0.337 203 Y C -0.728 175.148 175.900 -0.039 0.000 0.961 203 Y CA -0.680 57.388 58.100 -0.054 0.000 1.186 203 Y CB 1.157 39.596 38.460 -0.035 0.000 1.139 203 Y HN 0.278 nan 8.280 nan 0.000 0.494 204 V N 6.638 126.249 119.914 -0.504 0.000 2.364 204 V HA 0.617 4.736 4.120 -0.000 0.000 0.272 204 V C 0.113 175.953 176.094 -0.422 0.000 1.036 204 V CA -0.563 61.552 62.300 -0.308 0.000 0.880 204 V CB 0.598 32.340 31.823 -0.134 0.000 0.991 204 V HN 0.913 nan 8.190 nan 0.000 0.460 205 A N 6.770 129.489 122.820 -0.168 0.000 2.276 205 A HA 0.879 5.198 4.320 -0.000 0.000 0.316 205 A C -0.713 176.855 177.584 -0.028 0.000 1.229 205 A CA -0.357 51.642 52.037 -0.064 0.000 0.851 205 A CB 0.265 19.337 19.000 0.119 0.000 1.165 205 A HN 0.745 nan 8.150 nan 0.000 0.513 206 I N 1.804 122.357 120.570 -0.028 0.000 2.447 206 I HA 0.567 4.737 4.170 -0.000 0.000 0.287 206 I C 1.038 177.163 176.117 0.013 0.000 1.023 206 I CA 0.465 61.760 61.300 -0.008 0.000 1.083 206 I CB 1.935 39.921 38.000 -0.023 0.000 1.245 206 I HN 1.027 nan 8.210 nan 0.000 0.434 207 G N 3.550 112.364 108.800 0.023 0.000 2.184 207 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.264 207 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.264 207 G C 0.341 175.260 174.900 0.032 0.000 0.975 207 G CA -0.095 45.023 45.100 0.029 0.000 0.642 207 G HN 0.589 nan 8.290 nan 0.000 0.536 208 Q N 0.136 119.959 119.800 0.038 0.000 2.396 208 Q HA 0.451 4.791 4.340 -0.000 0.000 0.221 208 Q C 0.702 176.727 176.000 0.042 0.000 1.025 208 Q CA 0.101 55.933 55.803 0.047 0.000 0.946 208 Q CB 0.589 29.370 28.738 0.071 0.000 1.224 208 Q HN 0.638 nan 8.270 nan 0.000 0.539 209 K N -0.050 120.374 120.400 0.040 0.000 2.110 209 K HA 0.307 4.627 4.320 -0.000 0.000 0.263 209 K C 0.300 176.921 176.600 0.035 0.000 0.975 209 K CA -0.593 55.714 56.287 0.033 0.000 0.895 209 K CB 1.292 33.809 32.500 0.028 0.000 1.060 209 K HN 0.409 nan 8.250 nan 0.000 0.448 210 R N 0.989 121.506 120.500 0.030 0.000 2.105 210 R HA -0.136 4.204 4.340 -0.000 0.000 0.239 210 R C 2.036 178.351 176.300 0.024 0.000 1.135 210 R CA 1.952 58.070 56.100 0.029 0.000 0.967 210 R CB -0.491 29.823 30.300 0.024 0.000 0.861 210 R HN 0.750 nan 8.270 nan 0.000 0.442 211 S N 0.476 116.189 115.700 0.020 0.000 2.368 211 S HA -0.211 4.259 4.470 -0.000 0.000 0.226 211 S C 2.008 176.618 174.600 0.017 0.000 1.044 211 S CA 2.089 60.298 58.200 0.016 0.000 1.062 211 S CB -0.666 62.543 63.200 0.015 0.000 0.931 211 S HN 0.371 nan 8.310 nan 0.000 0.440 212 T N 2.403 116.972 114.554 0.024 0.000 2.684 212 T HA -0.093 4.257 4.350 -0.000 0.000 0.267 212 T C 1.973 176.688 174.700 0.024 0.000 1.036 212 T CA 1.450 63.567 62.100 0.028 0.000 1.148 212 T CB -0.625 68.268 68.868 0.041 0.000 0.863 212 T HN 0.219 nan 8.240 nan 0.000 0.436 213 V N 1.850 121.786 119.914 0.036 0.000 2.233 213 V HA -0.208 3.912 4.120 -0.000 0.000 0.247 213 V C 2.920 179.015 176.094 0.001 0.000 1.050 213 V CA 1.761 64.082 62.300 0.035 0.000 1.010 213 V CB -1.442 30.417 31.823 0.060 0.000 0.637 213 V HN 0.554 nan 8.190 nan 0.000 0.444 214 A N -0.494 122.329 122.820 0.005 0.000 1.881 214 A HA -0.361 3.959 4.320 -0.000 0.000 0.219 214 A C 2.175 179.747 177.584 -0.021 0.000 1.215 214 A CA 2.455 54.488 52.037 -0.007 0.000 0.648 214 A CB -0.718 18.282 19.000 -0.001 0.000 0.832 214 A HN 0.613 nan 8.150 nan 0.000 0.455 215 Q N -1.004 118.787 119.800 -0.016 0.000 2.045 215 Q HA -0.193 4.147 4.340 -0.000 0.000 0.206 215 Q C 2.181 178.155 176.000 -0.044 0.000 0.991 215 Q CA 1.442 57.231 55.803 -0.024 0.000 0.851 215 Q CB -0.756 27.978 28.738 -0.007 0.000 0.911 215 Q HN 0.634 nan 8.270 nan 0.000 0.418 216 L N 1.438 122.627 121.223 -0.055 0.000 1.997 216 L HA -0.153 4.187 4.340 -0.000 0.000 0.216 216 L C 2.401 179.196 176.870 -0.125 0.000 1.074 216 L CA 2.349 57.121 54.840 -0.115 0.000 0.763 216 L CB -1.393 40.557 42.059 -0.181 0.000 0.890 216 L HN 0.236 nan 8.230 nan 0.000 0.434 217 V N -1.755 118.101 119.914 -0.097 0.000 3.078 217 V HA -0.182 3.938 4.120 -0.000 0.000 0.265 217 V C 2.515 178.561 176.094 -0.079 0.000 1.122 217 V CA 1.811 64.058 62.300 -0.089 0.000 1.141 217 V CB -0.868 30.921 31.823 -0.058 0.000 0.735 217 V HN 0.571 nan 8.190 nan 0.000 0.498 218 K N 0.412 120.769 120.400 -0.072 0.000 2.076 218 K HA -0.121 4.199 4.320 -0.000 0.000 0.204 218 K C 2.421 178.967 176.600 -0.091 0.000 1.051 218 K CA 1.180 57.424 56.287 -0.072 0.000 0.949 218 K CB -0.126 32.336 32.500 -0.063 0.000 0.726 218 K HN 0.406 nan 8.250 nan 0.000 0.443 219 R N 0.958 121.398 120.500 -0.100 0.000 2.096 219 R HA 0.004 4.344 4.340 -0.000 0.000 0.235 219 R C 2.078 178.321 176.300 -0.095 0.000 1.127 219 R CA 1.188 57.214 56.100 -0.124 0.000 0.968 219 R CB -0.359 29.887 30.300 -0.090 0.000 0.861 219 R HN 0.233 nan 8.270 nan 0.000 0.440 220 L N -0.825 120.340 121.223 -0.096 0.000 2.093 220 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 220 L C 1.969 178.768 176.870 -0.117 0.000 1.085 220 L CA 1.709 56.482 54.840 -0.111 0.000 0.755 220 L CB -0.500 41.473 42.059 -0.144 0.000 0.904 220 L HN 0.282 nan 8.230 nan 0.000 0.435 221 T N -1.361 113.131 114.554 -0.102 0.000 2.812 221 T HA -0.139 4.211 4.350 -0.000 0.000 0.264 221 T C 1.388 176.041 174.700 -0.078 0.000 1.042 221 T CA 1.163 63.208 62.100 -0.090 0.000 1.140 221 T CB -0.230 68.594 68.868 -0.073 0.000 0.870 221 T HN 0.246 nan 8.240 nan 0.000 0.445 222 D N 1.725 122.077 120.400 -0.081 0.000 2.190 222 D HA -0.029 4.611 4.640 -0.000 0.000 0.200 222 D C 1.896 178.154 176.300 -0.069 0.000 0.992 222 D CA 1.059 55.012 54.000 -0.078 0.000 0.854 222 D CB -0.245 40.494 40.800 -0.102 0.000 0.936 222 D HN 0.464 nan 8.370 nan 0.000 0.462 223 A N -0.140 122.640 122.820 -0.068 0.000 2.308 223 A HA 0.102 4.422 4.320 -0.000 0.000 0.217 223 A C 0.542 178.106 177.584 -0.033 0.000 1.216 223 A CA 0.423 52.435 52.037 -0.042 0.000 0.864 223 A CB 0.192 19.179 19.000 -0.022 0.000 0.902 223 A HN 0.028 nan 8.150 nan 0.000 0.499 224 D N -2.734 117.632 120.400 -0.057 0.000 2.945 224 D HA -0.214 4.426 4.640 -0.000 0.000 0.225 224 D C 0.906 177.148 176.300 -0.097 0.000 1.158 224 D CA 1.097 55.064 54.000 -0.055 0.000 0.805 224 D CB -1.280 39.513 40.800 -0.012 0.000 1.098 224 D HN 0.512 nan 8.370 nan 0.000 0.426 225 A N -0.737 121.962 122.820 -0.202 0.000 1.984 225 A HA 0.021 4.341 4.320 -0.000 0.000 0.214 225 A C 2.177 179.282 177.584 -0.799 0.000 1.173 225 A CA 0.990 52.697 52.037 -0.549 0.000 0.673 225 A CB -0.152 18.691 19.000 -0.262 0.000 0.830 225 A HN 0.296 nan 8.150 nan 0.000 0.453 226 M N 1.252 120.616 119.600 -0.395 0.000 2.108 226 M HA -0.244 4.236 4.480 -0.000 0.000 0.257 226 M C 2.043 178.166 176.300 -0.296 0.000 1.071 226 M CA 2.205 57.327 55.300 -0.296 0.000 1.093 226 M CB -1.131 31.376 32.600 -0.154 0.000 1.345 226 M HN 0.693 nan 8.290 nan 0.000 0.403 227 K N 0.309 120.559 120.400 -0.250 0.000 2.127 227 K HA -0.214 4.106 4.320 -0.000 0.000 0.208 227 K C 1.318 177.918 176.600 0.001 0.000 1.047 227 K CA 2.166 58.408 56.287 -0.075 0.000 0.927 227 K CB -1.042 31.473 32.500 0.026 0.000 0.716 227 K HN 0.557 nan 8.250 nan 0.000 0.450 228 Y N 0.387 120.693 120.300 0.011 0.000 2.555 228 Y HA 0.432 4.982 4.550 -0.000 0.000 0.259 228 Y C -0.336 175.586 175.900 0.036 0.000 1.179 228 Y CA -0.924 57.187 58.100 0.019 0.000 1.230 228 Y CB -0.030 38.331 38.460 -0.164 0.000 1.146 228 Y HN -0.217 nan 8.280 nan 0.000 0.526 229 T N 2.510 116.982 114.554 -0.137 0.000 2.856 229 T HA 0.609 4.959 4.350 -0.000 0.000 0.283 229 T C -0.519 174.192 174.700 0.018 0.000 1.008 229 T CA -0.444 61.630 62.100 -0.044 0.000 0.997 229 T CB 1.864 70.644 68.868 -0.146 0.000 0.992 229 T HN 0.118 nan 8.240 nan 0.000 0.454 230 I N 2.181 122.794 120.570 0.071 0.000 2.404 230 I HA 0.462 4.632 4.170 -0.000 0.000 0.293 230 I C -0.517 175.651 176.117 0.084 0.000 0.992 230 I CA -1.038 60.310 61.300 0.080 0.000 1.149 230 I CB 1.798 39.865 38.000 0.111 0.000 1.315 230 I HN 0.237 nan 8.210 nan 0.000 0.446 231 V N 7.206 127.165 119.914 0.076 0.000 2.370 231 V HA 0.314 4.434 4.120 -0.000 0.000 0.283 231 V C -0.072 176.075 176.094 0.088 0.000 1.023 231 V CA -0.632 61.735 62.300 0.112 0.000 0.857 231 V CB 1.845 33.726 31.823 0.098 0.000 0.985 231 V HN 0.399 nan 8.190 nan 0.000 0.443 232 V N 4.596 124.557 119.914 0.079 0.000 2.350 232 V HA 0.443 4.563 4.120 -0.000 0.000 0.276 232 V C 0.234 176.357 176.094 0.049 0.000 1.028 232 V CA 0.013 62.344 62.300 0.051 0.000 0.860 232 V CB 1.694 33.537 31.823 0.033 0.000 0.990 232 V HN 0.829 nan 8.190 nan 0.000 0.453 233 S N 3.994 119.724 115.700 0.051 0.000 2.552 233 S HA 0.783 5.253 4.470 -0.000 0.000 0.314 233 S C -0.201 174.420 174.600 0.036 0.000 1.099 233 S CA -0.294 57.936 58.200 0.050 0.000 1.070 233 S CB 1.226 64.465 63.200 0.064 0.000 0.998 233 S HN 0.973 nan 8.310 nan 0.000 0.474 234 A N 4.199 127.035 122.820 0.026 0.000 2.586 234 A HA 0.597 4.917 4.320 -0.000 0.000 0.320 234 A C 0.404 178.001 177.584 0.022 0.000 1.281 234 A CA -0.697 51.352 52.037 0.019 0.000 0.775 234 A CB 0.003 19.008 19.000 0.009 0.000 1.122 234 A HN 0.755 nan 8.150 nan 0.000 0.470 235 T N -0.696 113.873 114.554 0.026 0.000 2.770 235 T HA 0.516 4.865 4.350 -0.000 0.000 0.281 235 T C 1.717 176.431 174.700 0.023 0.000 0.981 235 T CA -0.005 62.112 62.100 0.028 0.000 0.955 235 T CB 0.838 69.724 68.868 0.031 0.000 1.060 235 T HN 1.084 nan 8.240 nan 0.000 0.531 236 A N 0.936 123.770 122.820 0.024 0.000 1.958 236 A HA -0.142 4.178 4.320 -0.000 0.000 0.221 236 A C 2.335 179.929 177.584 0.016 0.000 1.178 236 A CA 2.280 54.329 52.037 0.021 0.000 0.642 236 A CB -1.389 17.624 19.000 0.022 0.000 0.816 236 A HN 1.089 nan 8.150 nan 0.000 0.453 237 S N -0.944 114.765 115.700 0.015 0.000 2.577 237 S HA 0.154 4.624 4.470 -0.000 0.000 0.219 237 S C -0.332 174.274 174.600 0.010 0.000 0.962 237 S CA -0.342 57.865 58.200 0.012 0.000 0.921 237 S CB -0.123 63.084 63.200 0.013 0.000 0.789 237 S HN 0.370 nan 8.310 nan 0.000 0.497 238 D N 3.038 123.443 120.400 0.010 0.000 2.308 238 D HA 0.557 5.197 4.640 -0.000 0.000 0.251 238 D C 0.404 176.697 176.300 -0.011 0.000 1.127 238 D CA 0.041 54.043 54.000 0.003 0.000 0.876 238 D CB 1.446 42.249 40.800 0.004 0.000 1.176 238 D HN 0.423 nan 8.370 nan 0.000 0.446 239 A N 1.948 124.755 122.820 -0.021 0.000 2.586 239 A HA 0.259 4.579 4.320 -0.000 0.000 0.231 239 A C 1.536 179.082 177.584 -0.063 0.000 1.055 239 A CA 0.526 52.540 52.037 -0.037 0.000 0.756 239 A CB 0.159 19.139 19.000 -0.034 0.000 0.988 239 A HN 0.664 nan 8.150 nan 0.000 0.509 240 A N 2.943 125.736 122.820 -0.043 0.000 1.917 240 A HA -0.091 4.229 4.320 -0.000 0.000 0.219 240 A C 0.055 177.625 177.584 -0.023 0.000 1.182 240 A CA 2.074 54.098 52.037 -0.021 0.000 0.633 240 A CB -1.582 17.409 19.000 -0.015 0.000 0.819 240 A HN 0.693 nan 8.150 nan 0.000 0.448 241 P HA -0.088 nan 4.420 nan 0.000 0.221 241 P C 1.353 178.473 177.300 -0.299 0.000 1.150 241 P CA 0.857 63.850 63.100 -0.178 0.000 0.800 241 P CB -0.194 31.240 31.700 -0.444 0.000 0.787 242 L N -0.775 120.229 121.223 -0.364 0.000 2.109 242 L HA -0.076 4.264 4.340 -0.000 0.000 0.207 242 L C 2.726 179.565 176.870 -0.053 0.000 1.086 242 L CA 1.351 56.067 54.840 -0.207 0.000 0.760 242 L CB -1.170 40.809 42.059 -0.135 0.000 0.910 242 L HN -0.080 nan 8.230 nan 0.000 0.437 243 Q N -1.205 118.590 119.800 -0.009 0.000 2.297 243 Q HA -0.195 4.145 4.340 -0.000 0.000 0.204 243 Q C 1.981 178.037 176.000 0.092 0.000 0.962 243 Q CA 1.142 56.966 55.803 0.034 0.000 0.879 243 Q CB -0.094 28.669 28.738 0.043 0.000 0.947 243 Q HN 0.495 nan 8.270 nan 0.000 0.462 244 Y N 0.722 121.018 120.300 -0.007 0.000 2.184 244 Y HA -0.121 4.429 4.550 -0.000 0.000 0.290 244 Y C 1.557 177.514 175.900 0.095 0.000 1.129 244 Y CA 1.199 59.333 58.100 0.057 0.000 1.144 244 Y CB -0.218 38.307 38.460 0.108 0.000 0.995 244 Y HN -0.018 nan 8.280 nan 0.000 0.513 245 L N -0.045 121.105 121.223 -0.121 0.000 2.109 245 L HA -0.094 4.246 4.340 -0.000 0.000 0.207 245 L C 2.824 179.672 176.870 -0.037 0.000 1.086 245 L CA 0.883 55.649 54.840 -0.124 0.000 0.760 245 L CB -1.087 40.950 42.059 -0.037 0.000 0.910 245 L HN 0.338 nan 8.230 nan 0.000 0.437 246 A N 1.167 123.965 122.820 -0.036 0.000 1.906 246 A HA -0.249 4.070 4.320 -0.000 0.000 0.222 246 A C -0.071 177.490 177.584 -0.037 0.000 1.282 246 A CA 2.694 54.718 52.037 -0.022 0.000 0.675 246 A CB -2.191 16.800 19.000 -0.015 0.000 0.838 246 A HN 0.322 nan 8.150 nan 0.000 0.469 247 P HA -0.143 nan 4.420 nan 0.000 0.216 247 P C 1.069 178.259 177.300 -0.183 0.000 1.153 247 P CA 1.497 64.490 63.100 -0.178 0.000 0.848 247 P CB -0.319 30.991 31.700 -0.650 0.000 0.787 248 Y N 1.265 121.502 120.300 -0.106 0.000 2.114 248 Y HA -0.164 4.386 4.550 -0.000 0.000 0.284 248 Y C 2.776 178.666 175.900 -0.016 0.000 1.143 248 Y CA 1.886 59.933 58.100 -0.089 0.000 1.135 248 Y CB -1.807 36.545 38.460 -0.179 0.000 0.980 248 Y HN 0.015 nan 8.280 nan 0.000 0.499 249 S N -0.723 115.048 115.700 0.117 0.000 2.442 249 S HA -0.118 4.352 4.470 -0.000 0.000 0.236 249 S C 2.281 176.930 174.600 0.082 0.000 1.007 249 S CA 0.949 59.200 58.200 0.086 0.000 0.965 249 S CB -1.043 62.198 63.200 0.067 0.000 0.773 249 S HN 0.528 nan 8.310 nan 0.000 0.504 250 G N 0.312 109.165 108.800 0.089 0.000 2.408 250 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.215 250 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.215 250 G C 1.589 176.552 174.900 0.105 0.000 1.156 250 G CA 0.602 45.752 45.100 0.084 0.000 0.793 250 G HN 0.577 nan 8.290 nan 0.000 0.535 251 C N 0.769 120.162 119.300 0.155 0.000 2.413 251 C HA -0.063 4.397 4.460 -0.000 0.000 0.277 251 C C 3.283 178.353 174.990 0.133 0.000 1.228 251 C CA 1.863 60.980 59.018 0.165 0.000 1.731 251 C CB -0.897 26.960 27.740 0.195 0.000 2.042 251 C HN 0.371 nan 8.230 nan 0.000 0.468 252 S N 0.334 116.105 115.700 0.118 0.000 2.374 252 S HA -0.236 4.234 4.470 -0.000 0.000 0.227 252 S C 1.751 176.409 174.600 0.097 0.000 1.037 252 S CA 2.123 60.380 58.200 0.095 0.000 1.024 252 S CB -0.436 62.809 63.200 0.074 0.000 0.861 252 S HN 0.641 nan 8.310 nan 0.000 0.456 253 M N 0.758 120.416 119.600 0.097 0.000 2.106 253 M HA -0.119 4.360 4.480 -0.000 0.000 0.259 253 M C 2.438 178.862 176.300 0.206 0.000 1.068 253 M CA 1.699 57.060 55.300 0.102 0.000 1.100 253 M CB -0.820 31.841 32.600 0.102 0.000 1.351 253 M HN 0.480 nan 8.290 nan 0.000 0.404 254 G N -0.582 108.366 108.800 0.247 0.000 2.484 254 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.218 254 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.218 254 G C 1.272 176.359 174.900 0.312 0.000 1.130 254 G CA 0.389 45.713 45.100 0.373 0.000 0.784 254 G HN 0.493 nan 8.290 nan 0.000 0.543 255 E N -0.605 119.703 120.200 0.180 0.000 2.150 255 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 255 E C 1.878 178.519 176.600 0.069 0.000 0.985 255 E CA 0.527 56.998 56.400 0.117 0.000 0.814 255 E CB -0.222 29.529 29.700 0.085 0.000 0.752 255 E HN 0.595 nan 8.360 nan 0.000 0.466 256 Y N 0.488 120.719 120.300 -0.116 0.000 2.151 256 Y HA -0.308 4.242 4.550 -0.000 0.000 0.284 256 Y C 1.689 177.389 175.900 -0.334 0.000 1.166 256 Y CA 1.769 59.695 58.100 -0.290 0.000 1.163 256 Y CB -0.228 37.930 38.460 -0.504 0.000 0.974 256 Y HN -0.036 nan 8.280 nan 0.000 0.511 257 F N -0.286 119.716 119.950 0.086 0.000 2.206 257 F HA -0.053 4.474 4.527 -0.000 0.000 0.298 257 F C 2.711 178.473 175.800 -0.064 0.000 1.090 257 F CA 1.569 59.552 58.000 -0.029 0.000 1.323 257 F CB -0.758 38.250 39.000 0.012 0.000 1.028 257 F HN -0.097 nan 8.300 nan 0.000 0.492 258 R N 0.669 121.266 120.500 0.162 0.000 2.081 258 R HA -0.159 4.181 4.340 -0.000 0.000 0.235 258 R C 1.193 177.509 176.300 0.026 0.000 1.131 258 R CA 1.965 58.127 56.100 0.104 0.000 0.960 258 R CB -0.419 29.945 30.300 0.107 0.000 0.856 258 R HN 0.152 nan 8.270 nan 0.000 0.436 259 D N 0.006 120.387 120.400 -0.032 0.000 2.363 259 D HA -0.036 4.604 4.640 -0.000 0.000 0.220 259 D C -0.105 176.124 176.300 -0.119 0.000 0.994 259 D CA 0.763 54.730 54.000 -0.057 0.000 0.890 259 D CB 0.023 40.780 40.800 -0.072 0.000 0.906 259 D HN 0.227 nan 8.370 nan 0.000 0.530 260 N N -0.788 117.799 118.700 -0.188 0.000 2.541 260 N HA 0.329 5.069 4.740 -0.000 0.000 0.297 260 N C 0.737 176.169 175.510 -0.131 0.000 1.503 260 N CA 0.057 52.981 53.050 -0.210 0.000 0.919 260 N CB 1.186 39.435 38.487 -0.397 0.000 1.305 260 N HN -0.024 nan 8.380 nan 0.000 0.501 261 G N -0.030 108.716 108.800 -0.090 0.000 2.186 261 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.266 261 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.266 261 G C 0.253 175.039 174.900 -0.190 0.000 0.982 261 G CA 0.695 45.734 45.100 -0.103 0.000 0.670 261 G HN 0.371 nan 8.290 nan 0.000 0.533 262 K N -0.117 120.205 120.400 -0.130 0.000 2.132 262 K HA 0.679 4.999 4.320 -0.000 0.000 0.241 262 K C -0.143 176.366 176.600 -0.151 0.000 1.000 262 K CA -0.850 55.374 56.287 -0.104 0.000 0.911 262 K CB 0.738 33.322 32.500 0.140 0.000 1.093 262 K HN 0.302 nan 8.250 nan 0.000 0.460 263 H N -0.160 119.012 119.070 0.170 0.000 2.489 263 H HA 0.553 5.109 4.556 -0.000 0.000 0.343 263 H C -0.947 174.433 175.328 0.087 0.000 1.086 263 H CA -0.839 55.272 56.048 0.105 0.000 1.198 263 H CB 1.815 31.600 29.762 0.037 0.000 1.490 263 H HN 0.677 nan 8.280 nan 0.000 0.504 264 A N 2.820 125.748 122.820 0.181 0.000 2.384 264 A HA 0.609 4.929 4.320 -0.000 0.000 0.312 264 A C -1.187 176.421 177.584 0.041 0.000 1.113 264 A CA -0.704 51.369 52.037 0.059 0.000 0.779 264 A CB 1.780 20.836 19.000 0.092 0.000 1.307 264 A HN 0.488 nan 8.150 nan 0.000 0.436 265 L N 1.443 122.667 121.223 0.002 0.000 2.362 265 L HA 0.830 5.170 4.340 -0.000 0.000 0.275 265 L C -1.105 175.728 176.870 -0.063 0.000 0.998 265 L CA -0.436 54.389 54.840 -0.026 0.000 0.820 265 L CB 1.403 43.453 42.059 -0.015 0.000 1.270 265 L HN 0.683 nan 8.230 nan 0.000 0.415 266 I N 5.016 125.499 120.570 -0.146 0.000 2.466 266 I HA 0.543 4.713 4.170 -0.000 0.000 0.289 266 I C -1.427 174.431 176.117 -0.432 0.000 1.026 266 I CA -0.491 60.626 61.300 -0.305 0.000 1.078 266 I CB 1.506 39.247 38.000 -0.431 0.000 1.249 266 I HN 0.604 nan 8.210 nan 0.000 0.429 267 I N 8.263 128.595 120.570 -0.396 0.000 2.354 267 I HA 0.268 4.438 4.170 -0.000 0.000 0.292 267 I C -1.128 174.676 176.117 -0.522 0.000 0.989 267 I CA -0.163 60.919 61.300 -0.363 0.000 1.188 267 I CB 1.160 39.077 38.000 -0.139 0.000 1.342 267 I HN 0.330 nan 8.210 nan 0.000 0.457 268 Y N 4.231 124.383 120.300 -0.246 0.000 2.595 268 Y HA 0.374 4.924 4.550 -0.000 0.000 0.336 268 Y C -0.024 175.710 175.900 -0.276 0.000 0.996 268 Y CA -0.871 57.060 58.100 -0.282 0.000 1.260 268 Y CB 0.312 38.613 38.460 -0.265 0.000 1.108 268 Y HN 0.388 nan 8.280 nan 0.000 0.509 269 D N 3.498 123.768 120.400 -0.217 0.000 2.454 269 D HA 0.166 4.806 4.640 -0.000 0.000 0.225 269 D C -0.890 175.354 176.300 -0.094 0.000 1.081 269 D CA -0.333 53.573 54.000 -0.156 0.000 0.864 269 D CB 0.553 41.234 40.800 -0.198 0.000 1.040 269 D HN 0.575 nan 8.370 nan 0.000 0.517 270 D N 1.323 121.691 120.400 -0.053 0.000 2.467 270 D HA 0.217 4.856 4.640 -0.000 0.000 0.245 270 D C 1.019 177.268 176.300 -0.086 0.000 1.038 270 D CA -0.713 53.252 54.000 -0.059 0.000 1.038 270 D CB 1.051 41.832 40.800 -0.032 0.000 1.278 270 D HN 0.171 nan 8.370 nan 0.000 0.564 271 L N -0.075 121.062 121.223 -0.143 0.000 2.529 271 L HA 0.028 4.367 4.340 -0.000 0.000 0.223 271 L C 1.971 178.794 176.870 -0.078 0.000 1.113 271 L CA 0.130 54.825 54.840 -0.241 0.000 0.861 271 L CB -0.154 41.553 42.059 -0.587 0.000 1.012 271 L HN 0.325 nan 8.230 nan 0.000 0.461 272 S N 0.500 116.177 115.700 -0.039 0.000 2.356 272 S HA -0.170 4.300 4.470 -0.000 0.000 0.223 272 S C 1.927 176.573 174.600 0.077 0.000 1.032 272 S CA 1.438 59.655 58.200 0.029 0.000 1.005 272 S CB -0.010 63.205 63.200 0.026 0.000 0.867 272 S HN 0.381 nan 8.310 nan 0.000 0.449 273 K N 0.954 121.385 120.400 0.052 0.000 2.217 273 K HA -0.045 4.275 4.320 -0.000 0.000 0.202 273 K C 2.396 179.051 176.600 0.092 0.000 1.051 273 K CA 0.719 57.048 56.287 0.070 0.000 0.952 273 K CB -0.114 32.412 32.500 0.044 0.000 0.736 273 K HN 0.356 nan 8.250 nan 0.000 0.453 274 Q N 1.022 120.868 119.800 0.077 0.000 2.079 274 Q HA -0.137 4.203 4.340 -0.000 0.000 0.200 274 Q C 2.058 178.176 176.000 0.196 0.000 0.974 274 Q CA 1.456 57.328 55.803 0.115 0.000 0.840 274 Q CB -0.081 28.688 28.738 0.051 0.000 0.898 274 Q HN 0.304 nan 8.270 nan 0.000 0.430 275 A N 0.256 123.197 122.820 0.202 0.000 1.940 275 A HA -0.142 4.177 4.320 -0.000 0.000 0.219 275 A C 2.234 180.032 177.584 0.358 0.000 1.176 275 A CA 1.583 53.746 52.037 0.210 0.000 0.631 275 A CB -0.716 18.309 19.000 0.042 0.000 0.814 275 A HN 0.303 nan 8.150 nan 0.000 0.446 276 V N -0.380 119.710 119.914 0.293 0.000 2.358 276 V HA -0.223 3.897 4.120 -0.000 0.000 0.246 276 V C 3.053 179.230 176.094 0.138 0.000 1.047 276 V CA 1.878 64.313 62.300 0.225 0.000 1.035 276 V CB -1.111 30.801 31.823 0.148 0.000 0.658 276 V HN 0.632 nan 8.190 nan 0.000 0.452 277 A N -0.882 122.020 122.820 0.136 0.000 1.877 277 A HA -0.288 4.032 4.320 -0.000 0.000 0.216 277 A C 2.178 179.816 177.584 0.091 0.000 1.186 277 A CA 2.198 54.294 52.037 0.098 0.000 0.620 277 A CB -0.863 18.206 19.000 0.116 0.000 0.822 277 A HN 0.612 nan 8.150 nan 0.000 0.443 278 Y N 0.484 120.791 120.300 0.011 0.000 2.224 278 Y HA -0.203 4.347 4.550 -0.000 0.000 0.289 278 Y C 2.507 178.382 175.900 -0.042 0.000 1.146 278 Y CA 2.061 60.102 58.100 -0.099 0.000 1.182 278 Y CB -0.341 38.075 38.460 -0.074 0.000 0.983 278 Y HN 0.355 nan 8.280 nan 0.000 0.524 279 R N 0.282 120.811 120.500 0.048 0.000 2.120 279 R HA -0.225 4.115 4.340 -0.000 0.000 0.234 279 R C 2.382 178.592 176.300 -0.150 0.000 1.123 279 R CA 1.691 57.755 56.100 -0.060 0.000 0.975 279 R CB -0.345 29.938 30.300 -0.029 0.000 0.866 279 R HN 0.570 nan 8.270 nan 0.000 0.446 280 Q N 0.393 120.132 119.800 -0.102 0.000 2.020 280 Q HA -0.206 4.134 4.340 -0.000 0.000 0.202 280 Q C 2.083 178.003 176.000 -0.133 0.000 0.982 280 Q CA 2.140 57.884 55.803 -0.097 0.000 0.838 280 Q CB -0.084 28.621 28.738 -0.055 0.000 0.899 280 Q HN 0.412 nan 8.270 nan 0.000 0.423 281 M N -0.037 119.457 119.600 -0.177 0.000 2.108 281 M HA -0.168 4.312 4.480 -0.000 0.000 0.261 281 M C 2.336 178.487 176.300 -0.250 0.000 1.066 281 M CA 1.602 56.783 55.300 -0.199 0.000 1.107 281 M CB -0.060 32.390 32.600 -0.251 0.000 1.356 281 M HN 0.178 nan 8.290 nan 0.000 0.406 282 S N 0.908 116.377 115.700 -0.385 0.000 2.355 282 S HA -0.060 4.410 4.470 -0.000 0.000 0.222 282 S C 1.875 176.367 174.600 -0.181 0.000 1.031 282 S CA 1.132 59.127 58.200 -0.342 0.000 0.993 282 S CB -0.462 62.477 63.200 -0.436 0.000 0.859 282 S HN 0.385 nan 8.310 nan 0.000 0.453 283 L N 1.072 122.202 121.223 -0.154 0.000 2.056 283 L HA -0.054 4.286 4.340 -0.000 0.000 0.207 283 L C 2.168 178.990 176.870 -0.081 0.000 1.078 283 L CA 0.999 55.778 54.840 -0.101 0.000 0.749 283 L CB -0.656 41.345 42.059 -0.097 0.000 0.901 283 L HN 0.259 nan 8.230 nan 0.000 0.433 284 L N -0.525 120.648 121.223 -0.083 0.000 2.275 284 L HA -0.171 4.169 4.340 -0.000 0.000 0.215 284 L C 2.004 178.847 176.870 -0.044 0.000 1.119 284 L CA 0.805 55.612 54.840 -0.055 0.000 0.790 284 L CB -0.268 41.763 42.059 -0.046 0.000 0.919 284 L HN 0.287 nan 8.230 nan 0.000 0.443 285 L N -0.638 120.549 121.223 -0.060 0.000 2.612 285 L HA 0.091 4.431 4.340 -0.000 0.000 0.230 285 L C 0.689 177.539 176.870 -0.034 0.000 1.140 285 L CA -0.020 54.795 54.840 -0.041 0.000 0.896 285 L CB -0.134 41.895 42.059 -0.051 0.000 1.065 285 L HN 0.206 nan 8.230 nan 0.000 0.447 286 R N 0.352 120.829 120.500 -0.040 0.000 3.641 286 R HA -0.170 4.170 4.340 -0.000 0.000 0.286 286 R C -0.089 176.194 176.300 -0.028 0.000 1.153 286 R CA 0.482 56.564 56.100 -0.030 0.000 0.775 286 R CB -1.404 28.886 30.300 -0.018 0.000 1.215 286 R HN 0.382 nan 8.270 nan 0.000 0.474 287 R N 1.067 121.544 120.500 -0.039 0.000 2.582 287 R HA 0.229 4.569 4.340 -0.000 0.000 0.271 287 R C -1.986 174.302 176.300 -0.020 0.000 1.078 287 R CA -1.650 54.434 56.100 -0.026 0.000 1.127 287 R CB 0.192 30.471 30.300 -0.036 0.000 1.038 287 R HN -0.074 nan 8.270 nan 0.000 0.500 288 P HA 0.094 nan 4.420 nan 0.000 0.271 288 P C -2.390 174.912 177.300 0.003 0.000 1.226 288 P CA -1.104 61.995 63.100 -0.002 0.000 0.765 288 P CB 0.149 31.853 31.700 0.006 0.000 0.835 289 P HA 0.363 nan 4.420 nan 0.000 0.279 289 P C 0.076 177.376 177.300 0.001 0.000 1.252 289 P CA -0.035 63.062 63.100 -0.007 0.000 0.811 289 P CB 1.489 33.170 31.700 -0.033 0.000 1.035 290 G N 0.817 109.625 108.800 0.014 0.000 3.259 290 G HA2 0.341 4.301 3.960 -0.000 0.000 0.178 290 G HA3 0.341 4.301 3.960 -0.000 0.000 0.178 290 G C -0.677 174.197 174.900 -0.044 0.000 1.129 290 G CA -0.803 44.286 45.100 -0.018 0.000 0.816 290 G HN 0.516 nan 8.290 nan 0.000 0.634 291 R N 0.677 121.094 120.500 -0.138 0.000 2.538 291 R HA 0.127 4.467 4.340 -0.000 0.000 0.282 291 R C 0.193 176.521 176.300 0.046 0.000 1.009 291 R CA 0.924 56.932 56.100 -0.154 0.000 1.063 291 R CB -0.144 29.897 30.300 -0.431 0.000 0.945 291 R HN 0.695 nan 8.270 nan 0.000 0.414 292 E N 2.375 122.613 120.200 0.064 0.000 2.805 292 E HA -0.341 4.009 4.350 -0.000 0.000 0.266 292 E C 0.207 176.734 176.600 -0.122 0.000 1.092 292 E CA 0.614 57.050 56.400 0.060 0.000 0.781 292 E CB -1.029 28.838 29.700 0.279 0.000 1.379 292 E HN 0.867 nan 8.360 nan 0.000 0.433 293 A N -2.494 120.276 122.820 -0.083 0.000 2.945 293 A HA -0.281 4.038 4.320 -0.000 0.000 0.251 293 A C -0.095 177.403 177.584 -0.143 0.000 1.355 293 A CA 1.547 53.506 52.037 -0.129 0.000 0.905 293 A CB -2.116 16.779 19.000 -0.175 0.000 1.104 293 A HN 0.402 nan 8.150 nan 0.000 0.733 294 Y N 0.163 120.523 120.300 0.099 0.000 2.307 294 Y HA 0.511 5.060 4.550 -0.000 0.000 0.324 294 Y C -1.425 174.556 175.900 0.136 0.000 1.238 294 Y CA -1.468 56.730 58.100 0.163 0.000 1.280 294 Y CB 0.498 39.164 38.460 0.342 0.000 1.248 294 Y HN 0.243 nan 8.280 nan 0.000 0.508 295 P HA 0.092 nan 4.420 nan 0.000 0.276 295 P C 0.536 177.994 177.300 0.263 0.000 1.244 295 P CA -0.172 63.045 63.100 0.196 0.000 0.801 295 P CB 1.030 32.808 31.700 0.131 0.000 1.006 296 G N 1.339 110.254 108.800 0.192 0.000 2.470 296 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.220 296 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.220 296 G C 0.748 175.791 174.900 0.238 0.000 1.121 296 G CA 0.509 45.723 45.100 0.191 0.000 0.766 296 G HN 0.683 nan 8.290 nan 0.000 0.553 297 D N 0.423 120.986 120.400 0.273 0.000 2.460 297 D HA 0.094 4.734 4.640 -0.000 0.000 0.229 297 D C 1.692 178.167 176.300 0.293 0.000 1.170 297 D CA -0.344 53.850 54.000 0.324 0.000 0.827 297 D CB 0.413 41.434 40.800 0.369 0.000 0.973 297 D HN 0.119 nan 8.370 nan 0.000 0.496 298 V N 0.054 120.126 119.914 0.263 0.000 2.379 298 V HA -0.144 3.976 4.120 -0.000 0.000 0.245 298 V C 1.933 177.970 176.094 -0.095 0.000 1.044 298 V CA 1.234 63.578 62.300 0.074 0.000 1.036 298 V CB -0.745 31.107 31.823 0.049 0.000 0.664 298 V HN 0.278 nan 8.190 nan 0.000 0.453 299 F N -0.111 119.781 119.950 -0.095 0.000 2.161 299 F HA -0.267 4.259 4.527 -0.000 0.000 0.300 299 F C 2.187 178.001 175.800 0.023 0.000 1.089 299 F CA 2.395 60.346 58.000 -0.081 0.000 1.282 299 F CB -0.420 38.583 39.000 0.004 0.000 1.010 299 F HN 0.388 nan 8.300 nan 0.000 0.485 300 Y N 0.568 120.980 120.300 0.187 0.000 2.293 300 Y HA -0.163 4.387 4.550 -0.000 0.000 0.291 300 Y C 1.990 177.867 175.900 -0.039 0.000 1.137 300 Y CA 1.360 59.526 58.100 0.109 0.000 1.202 300 Y CB -0.882 37.659 38.460 0.134 0.000 0.990 300 Y HN 0.223 nan 8.280 nan 0.000 0.537 301 L N -0.039 121.075 121.223 -0.183 0.000 1.989 301 L HA -0.263 4.077 4.340 -0.000 0.000 0.211 301 L C 2.377 179.170 176.870 -0.128 0.000 1.071 301 L CA 2.438 57.109 54.840 -0.282 0.000 0.749 301 L CB -0.926 40.856 42.059 -0.460 0.000 0.890 301 L HN 0.351 nan 8.230 nan 0.000 0.431 302 H N -1.599 117.321 119.070 -0.250 0.000 2.333 302 H HA -0.089 4.467 4.556 -0.000 0.000 0.302 302 H C 2.408 177.557 175.328 -0.298 0.000 1.075 302 H CA 1.032 56.886 56.048 -0.323 0.000 1.348 302 H CB -0.063 29.469 29.762 -0.383 0.000 1.393 302 H HN 0.543 nan 8.280 nan 0.000 0.509 303 S N 1.705 117.266 115.700 -0.232 0.000 2.365 303 S HA -0.289 4.181 4.470 -0.000 0.000 0.225 303 S C 2.115 176.706 174.600 -0.015 0.000 1.039 303 S CA 1.543 59.642 58.200 -0.169 0.000 1.033 303 S CB -0.439 62.697 63.200 -0.107 0.000 0.887 303 S HN 0.553 nan 8.310 nan 0.000 0.447 304 R N 0.873 121.391 120.500 0.029 0.000 2.152 304 R HA 0.012 4.352 4.340 -0.000 0.000 0.232 304 R C 2.274 178.611 176.300 0.062 0.000 1.117 304 R CA 1.312 57.438 56.100 0.044 0.000 0.981 304 R CB -0.619 29.649 30.300 -0.054 0.000 0.870 304 R HN 0.475 nan 8.270 nan 0.000 0.451 305 L N 1.259 122.511 121.223 0.049 0.000 1.982 305 L HA -0.010 4.330 4.340 -0.000 0.000 0.206 305 L C 2.229 179.066 176.870 -0.056 0.000 1.078 305 L CA 1.545 56.366 54.840 -0.032 0.000 0.749 305 L CB -0.554 41.282 42.059 -0.372 0.000 0.894 305 L HN 0.209 nan 8.230 nan 0.000 0.436 306 L N -0.079 121.084 121.223 -0.100 0.000 2.189 306 L HA -0.198 4.142 4.340 -0.000 0.000 0.214 306 L C 2.535 179.405 176.870 -0.001 0.000 1.097 306 L CA 0.993 55.808 54.840 -0.042 0.000 0.764 306 L CB -0.769 41.234 42.059 -0.093 0.000 0.900 306 L HN 0.414 nan 8.230 nan 0.000 0.436 307 E N 0.223 120.426 120.200 0.004 0.000 2.274 307 E HA -0.149 4.201 4.350 -0.000 0.000 0.194 307 E C 2.176 178.791 176.600 0.026 0.000 0.996 307 E CA 0.690 57.101 56.400 0.018 0.000 0.840 307 E CB -0.094 29.624 29.700 0.030 0.000 0.772 307 E HN 0.498 nan 8.360 nan 0.000 0.491 308 R N 0.796 121.320 120.500 0.039 0.000 2.285 308 R HA 0.032 4.372 4.340 -0.000 0.000 0.213 308 R C 0.874 177.204 176.300 0.050 0.000 1.068 308 R CA 0.549 56.678 56.100 0.048 0.000 1.004 308 R CB -0.072 30.271 30.300 0.072 0.000 0.873 308 R HN -0.055 nan 8.270 nan 0.000 0.467 309 A N 1.126 123.976 122.820 0.050 0.000 2.409 309 A HA 0.612 4.932 4.320 -0.000 0.000 0.267 309 A C -0.198 177.399 177.584 0.023 0.000 1.127 309 A CA 0.058 52.121 52.037 0.043 0.000 0.795 309 A CB 0.428 19.454 19.000 0.044 0.000 1.061 309 A HN 0.287 nan 8.150 nan 0.000 0.502 310 A N 2.293 125.127 122.820 0.023 0.000 2.597 310 A HA 0.651 4.971 4.320 -0.000 0.000 0.292 310 A C -0.922 176.672 177.584 0.016 0.000 1.057 310 A CA -0.775 51.267 52.037 0.007 0.000 0.674 310 A CB 0.969 19.963 19.000 -0.009 0.000 1.278 310 A HN 0.765 nan 8.150 nan 0.000 0.416 311 K N 2.103 122.505 120.400 0.003 0.000 2.266 311 K HA 0.509 4.829 4.320 -0.000 0.000 0.274 311 K C -0.477 176.126 176.600 0.005 0.000 1.090 311 K CA -0.410 55.885 56.287 0.013 0.000 0.925 311 K CB -0.005 32.493 32.500 -0.003 0.000 1.225 311 K HN 0.604 nan 8.250 nan 0.000 0.458 312 M N 3.237 122.853 119.600 0.027 0.000 2.238 312 M HA 0.122 4.602 4.480 -0.000 0.000 0.347 312 M C 0.343 176.680 176.300 0.061 0.000 1.173 312 M CA -0.458 54.851 55.300 0.015 0.000 1.147 312 M CB 0.074 32.707 32.600 0.055 0.000 1.547 312 M HN 0.650 nan 8.290 nan 0.000 0.455 313 N N 1.654 120.398 118.700 0.072 0.000 2.381 313 N HA 0.077 4.817 4.740 -0.000 0.000 0.254 313 N C 0.203 175.812 175.510 0.165 0.000 1.264 313 N CA -0.245 52.877 53.050 0.120 0.000 0.942 313 N CB 0.459 39.027 38.487 0.135 0.000 1.190 313 N HN 0.488 nan 8.380 nan 0.000 0.495 314 D N -0.205 120.264 120.400 0.115 0.000 2.190 314 D HA -0.215 4.424 4.640 -0.000 0.000 0.200 314 D C 1.449 177.795 176.300 0.077 0.000 0.992 314 D CA 1.865 55.915 54.000 0.084 0.000 0.854 314 D CB -0.293 40.539 40.800 0.053 0.000 0.936 314 D HN 0.737 nan 8.370 nan 0.000 0.462 315 A N 0.351 123.234 122.820 0.106 0.000 2.067 315 A HA -0.107 4.212 4.320 -0.000 0.000 0.219 315 A C 1.236 178.740 177.584 -0.132 0.000 1.158 315 A CA 0.795 52.824 52.037 -0.014 0.000 0.661 315 A CB -0.435 18.559 19.000 -0.011 0.000 0.801 315 A HN 0.127 nan 8.150 nan 0.000 0.452 316 F N -1.024 118.922 119.950 -0.006 0.000 2.772 316 F HA 0.440 4.967 4.527 -0.000 0.000 0.302 316 F C 1.606 177.395 175.800 -0.019 0.000 1.136 316 F CA 0.257 58.250 58.000 -0.012 0.000 1.322 316 F CB 0.402 39.399 39.000 -0.006 0.000 0.967 316 F HN 0.298 nan 8.300 nan 0.000 0.513 317 G N -0.245 108.613 108.800 0.097 0.000 2.241 317 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.244 317 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.244 317 G C 1.377 176.306 174.900 0.048 0.000 0.998 317 G CA 0.031 45.156 45.100 0.042 0.000 0.621 317 G HN 1.173 nan 8.290 nan 0.000 0.519 318 G N -0.488 108.367 108.800 0.092 0.000 2.168 318 G HA2 0.143 4.103 3.960 -0.000 0.000 0.263 318 G HA3 0.143 4.103 3.960 -0.000 0.000 0.263 318 G C 1.615 176.591 174.900 0.127 0.000 0.977 318 G CA 1.149 46.310 45.100 0.101 0.000 0.659 318 G HN 2.144 nan 8.290 nan 0.000 0.533 319 G N -0.520 108.319 108.800 0.065 0.000 2.631 319 G HA2 0.705 4.665 3.960 -0.000 0.000 0.271 319 G HA3 0.705 4.665 3.960 -0.000 0.000 0.271 319 G C 0.356 175.394 174.900 0.230 0.000 1.302 319 G CA 1.073 46.196 45.100 0.039 0.000 1.002 319 G HN 1.944 nan 8.290 nan 0.000 0.519 320 S N -2.061 113.836 115.700 0.328 0.000 2.567 320 S HA 0.537 5.007 4.470 -0.000 0.000 0.270 320 S C -1.677 173.032 174.600 0.180 0.000 1.152 320 S CA -0.807 57.531 58.200 0.229 0.000 0.835 320 S CB 1.779 65.100 63.200 0.203 0.000 1.115 320 S HN 1.225 nan 8.310 nan 0.000 0.459 321 L N 1.701 122.986 121.223 0.104 0.000 2.372 321 L HA 0.749 5.089 4.340 -0.000 0.000 0.274 321 L C -0.707 176.184 176.870 0.035 0.000 0.988 321 L CA 0.251 55.141 54.840 0.083 0.000 0.833 321 L CB 1.679 43.791 42.059 0.088 0.000 1.236 321 L HN 0.941 nan 8.230 nan 0.000 0.410 322 T N 4.024 118.583 114.554 0.009 0.000 2.867 322 T HA 0.870 5.220 4.350 -0.000 0.000 0.282 322 T C -0.417 174.256 174.700 -0.045 0.000 1.000 322 T CA -0.283 61.803 62.100 -0.022 0.000 1.042 322 T CB 1.523 70.367 68.868 -0.040 0.000 0.973 322 T HN 0.812 nan 8.240 nan 0.000 0.465 323 A N 2.914 125.707 122.820 -0.046 0.000 2.356 323 A HA 0.737 5.057 4.320 -0.000 0.000 0.310 323 A C -0.770 176.770 177.584 -0.073 0.000 1.075 323 A CA -0.731 51.257 52.037 -0.081 0.000 0.746 323 A CB 0.700 19.713 19.000 0.022 0.000 1.221 323 A HN 0.836 nan 8.150 nan 0.000 0.443 324 L N 4.382 125.533 121.223 -0.120 0.000 2.435 324 L HA 0.341 4.680 4.340 -0.000 0.000 0.253 324 L C -2.340 174.489 176.870 -0.069 0.000 1.087 324 L CA -1.762 53.029 54.840 -0.082 0.000 0.950 324 L CB 1.431 43.447 42.059 -0.072 0.000 1.304 324 L HN 0.448 nan 8.230 nan 0.000 0.453 325 P HA 0.136 nan 4.420 nan 0.000 0.276 325 P C -0.318 176.940 177.300 -0.070 0.000 1.235 325 P CA -0.051 63.054 63.100 0.008 0.000 0.772 325 P CB 1.700 33.374 31.700 -0.042 0.000 0.871 326 V N 5.031 124.902 119.914 -0.071 0.000 2.713 326 V HA 0.468 4.588 4.120 -0.000 0.000 0.307 326 V C 0.497 176.536 176.094 -0.090 0.000 1.052 326 V CA -0.575 61.680 62.300 -0.074 0.000 0.967 326 V CB 1.637 33.431 31.823 -0.048 0.000 1.019 326 V HN 0.430 nan 8.190 nan 0.000 0.459 327 I N 2.491 123.014 120.570 -0.077 0.000 2.607 327 I HA 0.384 4.554 4.170 -0.000 0.000 0.290 327 I C -0.310 175.791 176.117 -0.027 0.000 1.129 327 I CA -0.355 60.907 61.300 -0.063 0.000 1.042 327 I CB 2.156 40.111 38.000 -0.075 0.000 1.242 327 I HN 0.766 nan 8.210 nan 0.000 0.421 328 E N 4.725 124.922 120.200 -0.006 0.000 2.174 328 E HA 0.430 4.780 4.350 -0.000 0.000 0.282 328 E C -0.573 176.047 176.600 0.032 0.000 0.992 328 E CA -0.342 56.067 56.400 0.014 0.000 0.803 328 E CB 1.219 30.931 29.700 0.020 0.000 1.090 328 E HN 0.675 nan 8.360 nan 0.000 0.396 329 T N 1.993 116.573 114.554 0.044 0.000 2.902 329 T HA 0.319 4.669 4.350 -0.000 0.000 0.280 329 T C -0.108 174.626 174.700 0.057 0.000 0.992 329 T CA -1.042 61.094 62.100 0.060 0.000 1.015 329 T CB 1.398 70.313 68.868 0.079 0.000 1.044 329 T HN 0.350 nan 8.240 nan 0.000 0.520 330 Q N 0.528 120.366 119.800 0.062 0.000 2.347 330 Q HA 0.523 4.863 4.340 -0.000 0.000 0.262 330 Q C 0.264 176.296 176.000 0.053 0.000 0.980 330 Q CA -0.452 55.384 55.803 0.056 0.000 0.867 330 Q CB 1.386 30.160 28.738 0.060 0.000 1.242 330 Q HN 1.189 nan 8.270 nan 0.000 0.453 331 A N 2.373 125.221 122.820 0.046 0.000 2.415 331 A HA -0.158 4.162 4.320 -0.000 0.000 0.292 331 A C 1.267 178.879 177.584 0.046 0.000 1.452 331 A CA 1.366 53.429 52.037 0.043 0.000 0.750 331 A CB -2.079 16.944 19.000 0.038 0.000 1.099 331 A HN 1.490 nan 8.150 nan 0.000 0.391 332 G N -0.689 108.142 108.800 0.053 0.000 2.196 332 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.268 332 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.268 332 G C 0.188 175.125 174.900 0.061 0.000 0.975 332 G CA 1.054 46.188 45.100 0.057 0.000 0.648 332 G HN 1.552 nan 8.290 nan 0.000 0.538 333 D N 1.086 121.524 120.400 0.062 0.000 2.479 333 D HA 0.290 4.930 4.640 -0.000 0.000 0.253 333 D C 2.020 178.371 176.300 0.086 0.000 1.278 333 D CA 0.576 54.616 54.000 0.067 0.000 1.145 333 D CB 0.202 41.043 40.800 0.068 0.000 1.118 333 D HN 0.669 nan 8.370 nan 0.000 0.513 334 V N 0.777 120.747 119.914 0.094 0.000 3.141 334 V HA -0.053 4.067 4.120 -0.000 0.000 0.265 334 V C 1.669 177.830 176.094 0.112 0.000 1.126 334 V CA 0.887 63.264 62.300 0.128 0.000 1.141 334 V CB -0.201 31.733 31.823 0.185 0.000 0.743 334 V HN 0.255 nan 8.190 nan 0.000 0.492 335 S N 0.623 116.379 115.700 0.093 0.000 2.593 335 S HA 0.536 5.006 4.470 -0.000 0.000 0.217 335 S C 1.267 175.938 174.600 0.118 0.000 0.966 335 S CA 0.368 58.626 58.200 0.097 0.000 0.914 335 S CB -0.235 63.010 63.200 0.075 0.000 0.776 335 S HN 0.908 nan 8.310 nan 0.000 0.523 336 A N 0.646 123.537 122.820 0.119 0.000 2.387 336 A HA 0.299 4.619 4.320 -0.000 0.000 0.251 336 A C 0.954 178.660 177.584 0.203 0.000 1.113 336 A CA -0.088 52.041 52.037 0.152 0.000 0.794 336 A CB -0.231 18.852 19.000 0.138 0.000 1.069 336 A HN 0.320 nan 8.150 nan 0.000 0.506 337 Y N 0.301 120.647 120.300 0.078 0.000 2.049 337 Y HA -0.210 4.340 4.550 -0.000 0.000 0.277 337 Y C 1.988 177.888 175.900 0.000 0.000 1.143 337 Y CA 2.301 60.433 58.100 0.054 0.000 1.115 337 Y CB -0.314 38.201 38.460 0.092 0.000 0.975 337 Y HN 0.448 nan 8.280 nan 0.000 0.487 338 I N 0.635 121.059 120.570 -0.243 0.000 2.226 338 I HA -0.168 4.002 4.170 -0.000 0.000 0.245 338 I C -0.524 175.518 176.117 -0.124 0.000 1.100 338 I CA 1.074 62.188 61.300 -0.311 0.000 1.374 338 I CB -2.926 34.904 38.000 -0.283 0.000 1.057 338 I HN 0.196 nan 8.210 nan 0.000 0.413 339 P HA -0.085 nan 4.420 nan 0.000 0.216 339 P C 1.839 179.156 177.300 0.028 0.000 1.153 339 P CA 1.601 64.703 63.100 0.003 0.000 0.848 339 P CB -0.242 31.487 31.700 0.048 0.000 0.787 340 T N -0.097 114.491 114.554 0.058 0.000 2.635 340 T HA -0.170 4.180 4.350 -0.000 0.000 0.267 340 T C 1.625 176.385 174.700 0.101 0.000 1.040 340 T CA 1.816 63.975 62.100 0.100 0.000 1.156 340 T CB -1.045 67.917 68.868 0.156 0.000 0.863 340 T HN 0.125 nan 8.240 nan 0.000 0.430 341 N N 0.938 119.672 118.700 0.057 0.000 2.043 341 N HA -0.080 4.660 4.740 -0.000 0.000 0.193 341 N C 1.945 177.447 175.510 -0.013 0.000 1.037 341 N CA 0.984 54.095 53.050 0.102 0.000 0.851 341 N CB -0.896 37.558 38.487 -0.056 0.000 1.027 341 N HN 0.253 nan 8.380 nan 0.000 0.422 342 V N 1.473 121.350 119.914 -0.062 0.000 2.667 342 V HA -0.038 4.081 4.120 -0.000 0.000 0.252 342 V C 2.212 178.267 176.094 -0.065 0.000 1.065 342 V CA 0.729 62.965 62.300 -0.106 0.000 1.083 342 V CB -0.401 31.327 31.823 -0.158 0.000 0.692 342 V HN 0.234 nan 8.190 nan 0.000 0.468 343 I N 1.449 122.011 120.570 -0.013 0.000 2.226 343 I HA -0.220 3.950 4.170 -0.000 0.000 0.245 343 I C 2.641 178.782 176.117 0.040 0.000 1.100 343 I CA 1.948 63.257 61.300 0.014 0.000 1.374 343 I CB -0.402 37.640 38.000 0.070 0.000 1.057 343 I HN 0.516 nan 8.210 nan 0.000 0.413 344 S N 0.726 116.475 115.700 0.082 0.000 2.436 344 S HA -0.008 4.462 4.470 -0.000 0.000 0.228 344 S C 1.917 176.577 174.600 0.100 0.000 1.014 344 S CA 0.486 58.758 58.200 0.120 0.000 0.950 344 S CB -0.564 62.757 63.200 0.203 0.000 0.784 344 S HN 0.392 nan 8.310 nan 0.000 0.504 345 I N 2.565 123.155 120.570 0.033 0.000 2.286 345 I HA -0.066 4.104 4.170 -0.000 0.000 0.245 345 I C 1.708 177.814 176.117 -0.019 0.000 1.104 345 I CA 0.980 62.266 61.300 -0.022 0.000 1.397 345 I CB -0.935 36.958 38.000 -0.178 0.000 1.072 345 I HN 0.443 nan 8.210 nan 0.000 0.417 346 T N -1.900 112.634 114.554 -0.034 0.000 2.754 346 T HA 0.057 4.407 4.350 -0.000 0.000 0.286 346 T C 0.537 175.228 174.700 -0.015 0.000 0.997 346 T CA -0.501 61.578 62.100 -0.036 0.000 0.982 346 T CB 0.811 69.642 68.868 -0.061 0.000 1.027 346 T HN 0.082 nan 8.240 nan 0.000 0.529 347 D N 0.221 120.609 120.400 -0.020 0.000 2.325 347 D HA 0.355 4.995 4.640 -0.000 0.000 0.225 347 D C 0.980 177.273 176.300 -0.012 0.000 1.096 347 D CA 0.369 54.363 54.000 -0.010 0.000 0.844 347 D CB 0.023 40.815 40.800 -0.012 0.000 0.925 347 D HN 0.928 nan 8.370 nan 0.000 0.513 348 G N 0.238 109.023 108.800 -0.025 0.000 2.356 348 G HA2 0.236 4.196 3.960 -0.000 0.000 0.300 348 G HA3 0.236 4.196 3.960 -0.000 0.000 0.300 348 G C -1.921 172.922 174.900 -0.096 0.000 1.331 348 G CA -0.915 44.167 45.100 -0.029 0.000 0.905 348 G HN -0.011 nan 8.290 nan 0.000 0.587 349 Q N -0.868 118.848 119.800 -0.141 0.000 2.315 349 Q HA 0.652 4.992 4.340 -0.000 0.000 0.273 349 Q C -0.677 175.106 176.000 -0.363 0.000 1.053 349 Q CA -0.415 55.166 55.803 -0.370 0.000 0.817 349 Q CB 2.579 30.846 28.738 -0.785 0.000 1.326 349 Q HN 0.617 nan 8.270 nan 0.000 0.423 350 I N 2.923 123.298 120.570 -0.325 0.000 2.306 350 I HA 0.318 4.488 4.170 -0.000 0.000 0.288 350 I C -0.801 175.181 176.117 -0.225 0.000 1.036 350 I CA -0.405 60.793 61.300 -0.170 0.000 1.221 350 I CB 0.286 38.234 38.000 -0.086 0.000 1.385 350 I HN 0.472 nan 8.210 nan 0.000 0.472 351 F N 6.816 126.770 119.950 0.007 0.000 2.444 351 F HA 0.336 4.863 4.527 -0.000 0.000 0.360 351 F C 0.313 176.121 175.800 0.014 0.000 1.106 351 F CA -0.193 57.813 58.000 0.010 0.000 1.170 351 F CB 0.433 39.440 39.000 0.011 0.000 1.113 351 F HN 0.206 nan 8.300 nan 0.000 0.521 352 L N 4.050 125.368 121.223 0.158 0.000 2.325 352 L HA 0.499 4.839 4.340 -0.000 0.000 0.279 352 L C -0.254 176.684 176.870 0.114 0.000 1.054 352 L CA -0.579 54.330 54.840 0.115 0.000 0.804 352 L CB 1.417 43.516 42.059 0.067 0.000 1.200 352 L HN 0.568 nan 8.230 nan 0.000 0.436 353 E N 0.223 120.484 120.200 0.101 0.000 2.272 353 E HA 0.227 4.577 4.350 -0.000 0.000 0.269 353 E C 0.052 176.702 176.600 0.083 0.000 0.877 353 E CA -0.391 56.061 56.400 0.087 0.000 0.755 353 E CB 2.284 32.033 29.700 0.082 0.000 1.192 353 E HN 0.672 nan 8.360 nan 0.000 0.422 354 T N -0.111 114.482 114.554 0.064 0.000 2.701 354 T HA -0.213 4.137 4.350 -0.000 0.000 0.263 354 T C 1.580 176.377 174.700 0.160 0.000 1.040 354 T CA 1.159 63.296 62.100 0.061 0.000 1.147 354 T CB -0.085 68.843 68.868 0.100 0.000 0.865 354 T HN 0.547 nan 8.240 nan 0.000 0.426 355 E N 1.039 121.337 120.200 0.164 0.000 2.086 355 E HA -0.175 4.175 4.350 -0.000 0.000 0.200 355 E C 2.234 178.928 176.600 0.156 0.000 1.012 355 E CA 1.283 57.788 56.400 0.175 0.000 0.812 355 E CB -0.290 29.479 29.700 0.116 0.000 0.743 355 E HN 0.490 nan 8.360 nan 0.000 0.453 356 L N -0.082 121.210 121.223 0.115 0.000 2.012 356 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 356 L C 2.538 179.448 176.870 0.067 0.000 1.073 356 L CA 1.274 56.165 54.840 0.085 0.000 0.748 356 L CB -0.666 41.435 42.059 0.071 0.000 0.891 356 L HN 0.233 nan 8.230 nan 0.000 0.431 357 F N 0.426 120.312 119.950 -0.107 0.000 2.043 357 F HA -0.331 4.196 4.527 -0.000 0.000 0.297 357 F C 2.418 178.068 175.800 -0.249 0.000 1.121 357 F CA 1.887 59.740 58.000 -0.244 0.000 1.199 357 F CB -0.479 38.250 39.000 -0.453 0.000 0.968 357 F HN -0.044 nan 8.300 nan 0.000 0.478 358 Y N 0.137 120.633 120.300 0.327 0.000 2.439 358 Y HA -0.063 4.487 4.550 -0.000 0.000 0.292 358 Y C 2.278 178.228 175.900 0.083 0.000 1.130 358 Y CA 0.990 59.215 58.100 0.209 0.000 1.254 358 Y CB -0.776 37.801 38.460 0.195 0.000 1.000 358 Y HN 0.059 nan 8.280 nan 0.000 0.554 359 K N -0.903 119.603 120.400 0.176 0.000 2.283 359 K HA 0.012 4.332 4.320 -0.000 0.000 0.202 359 K C 1.424 178.051 176.600 0.044 0.000 1.048 359 K CA 1.001 57.350 56.287 0.105 0.000 0.948 359 K CB -0.185 32.366 32.500 0.085 0.000 0.742 359 K HN 0.468 nan 8.250 nan 0.000 0.458 360 G N 0.286 109.073 108.800 -0.021 0.000 2.227 360 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.168 360 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.168 360 G C -0.069 174.765 174.900 -0.111 0.000 1.006 360 G CA -0.531 44.526 45.100 -0.071 0.000 0.684 360 G HN 0.058 nan 8.290 nan 0.000 0.489 361 I N 2.019 122.532 120.570 -0.096 0.000 2.308 361 I HA 0.481 4.650 4.170 -0.000 0.000 0.293 361 I C 0.515 176.539 176.117 -0.154 0.000 1.078 361 I CA 0.148 61.400 61.300 -0.080 0.000 1.292 361 I CB 0.034 38.024 38.000 -0.016 0.000 1.423 361 I HN 0.137 nan 8.210 nan 0.000 0.493 362 R N 7.028 127.428 120.500 -0.167 0.000 2.522 362 R HA 0.393 4.733 4.340 -0.000 0.000 0.283 362 R C -2.711 173.525 176.300 -0.108 0.000 1.074 362 R CA -1.656 54.324 56.100 -0.200 0.000 0.925 362 R CB 2.562 32.626 30.300 -0.395 0.000 1.205 362 R HN 0.286 nan 8.270 nan 0.000 0.436 363 P HA -0.033 nan 4.420 nan 0.000 0.265 363 P C -0.066 177.229 177.300 -0.009 0.000 1.193 363 P CA 0.023 63.104 63.100 -0.032 0.000 0.765 363 P CB 0.731 32.424 31.700 -0.011 0.000 0.823 364 A N 4.506 127.352 122.820 0.043 0.000 2.478 364 A HA 0.090 4.410 4.320 -0.000 0.000 0.239 364 A C 0.843 178.472 177.584 0.075 0.000 1.480 364 A CA -0.156 51.925 52.037 0.074 0.000 1.308 364 A CB -1.517 17.593 19.000 0.183 0.000 0.899 364 A HN 0.495 nan 8.150 nan 0.000 0.600 365 I N 0.788 121.392 120.570 0.056 0.000 2.529 365 I HA 0.036 4.206 4.170 -0.000 0.000 0.284 365 I C 0.537 176.702 176.117 0.080 0.000 1.082 365 I CA -0.352 60.990 61.300 0.071 0.000 1.406 365 I CB 0.693 38.723 38.000 0.050 0.000 1.405 365 I HN 0.316 nan 8.210 nan 0.000 0.548 366 N N 5.873 124.642 118.700 0.116 0.000 2.462 366 N HA 0.119 4.859 4.740 -0.000 0.000 0.242 366 N C 0.498 176.064 175.510 0.094 0.000 1.010 366 N CA -0.109 52.998 53.050 0.094 0.000 0.939 366 N CB 1.635 40.175 38.487 0.088 0.000 1.127 366 N HN 0.408 nan 8.380 nan 0.000 0.509 367 V N 3.586 123.540 119.914 0.066 0.000 2.515 367 V HA -0.102 4.018 4.120 -0.000 0.000 0.250 367 V C 2.199 178.324 176.094 0.052 0.000 1.058 367 V CA 2.199 64.535 62.300 0.061 0.000 1.064 367 V CB -0.655 31.200 31.823 0.052 0.000 0.675 367 V HN 0.774 nan 8.190 nan 0.000 0.461 368 G N -0.230 108.588 108.800 0.030 0.000 2.414 368 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.215 368 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.215 368 G C 1.495 176.397 174.900 0.003 0.000 1.188 368 G CA 0.765 45.868 45.100 0.004 0.000 0.783 368 G HN 0.479 nan 8.290 nan 0.000 0.537 369 L N 1.147 122.359 121.223 -0.019 0.000 2.313 369 L HA 0.121 4.461 4.340 -0.000 0.000 0.214 369 L C 1.128 178.133 176.870 0.226 0.000 1.119 369 L CA -0.098 54.705 54.840 -0.062 0.000 0.809 369 L CB -0.262 41.537 42.059 -0.435 0.000 0.933 369 L HN 0.053 nan 8.230 nan 0.000 0.449 370 S N 0.233 116.115 115.700 0.304 0.000 2.592 370 S HA 0.423 4.892 4.470 -0.000 0.000 0.271 370 S C -0.093 174.616 174.600 0.181 0.000 1.326 370 S CA -0.592 57.810 58.200 0.336 0.000 1.024 370 S CB 1.900 65.220 63.200 0.200 0.000 0.921 370 S HN 0.140 nan 8.310 nan 0.000 0.527 371 V N -0.963 119.029 119.914 0.131 0.000 3.159 371 V HA 0.917 5.037 4.120 -0.000 0.000 0.308 371 V C -0.721 175.393 176.094 0.033 0.000 1.190 371 V CA -0.659 61.688 62.300 0.078 0.000 1.037 371 V CB 2.077 33.953 31.823 0.089 0.000 1.060 371 V HN 0.728 nan 8.190 nan 0.000 0.437 372 S N 1.146 116.859 115.700 0.023 0.000 2.746 372 S HA 0.490 4.960 4.470 -0.000 0.000 0.273 372 S C 0.682 175.287 174.600 0.009 0.000 1.172 372 S CA -0.649 57.554 58.200 0.006 0.000 1.116 372 S CB 1.151 64.350 63.200 -0.001 0.000 1.057 372 S HN 0.859 nan 8.310 nan 0.000 0.483 373 R N 2.343 122.848 120.500 0.009 0.000 2.152 373 R HA -0.058 4.281 4.340 -0.000 0.000 0.232 373 R C 1.662 177.964 176.300 0.003 0.000 1.117 373 R CA 1.392 57.498 56.100 0.010 0.000 0.981 373 R CB -0.316 29.991 30.300 0.012 0.000 0.870 373 R HN 0.530 nan 8.270 nan 0.000 0.451 374 V N 0.379 120.291 119.914 -0.004 0.000 2.427 374 V HA -0.088 4.032 4.120 -0.000 0.000 0.248 374 V C 1.787 177.876 176.094 -0.008 0.000 1.051 374 V CA 1.403 63.697 62.300 -0.009 0.000 1.048 374 V CB -1.054 30.758 31.823 -0.017 0.000 0.666 374 V HN 0.673 nan 8.190 nan 0.000 0.456 375 G N 0.481 109.278 108.800 -0.006 0.000 2.602 375 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.317 375 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.317 375 G C 1.141 176.036 174.900 -0.008 0.000 1.327 375 G CA 0.792 45.890 45.100 -0.003 0.000 0.971 375 G HN 0.389 nan 8.290 nan 0.000 0.540 376 S N 0.446 116.143 115.700 -0.005 0.000 2.400 376 S HA -0.157 4.313 4.470 -0.000 0.000 0.234 376 S C 2.889 177.482 174.600 -0.013 0.000 1.049 376 S CA 2.649 60.844 58.200 -0.007 0.000 1.039 376 S CB -0.902 62.296 63.200 -0.003 0.000 0.856 376 S HN 1.769 nan 8.310 nan 0.000 0.465 377 A N 0.933 123.745 122.820 -0.013 0.000 1.985 377 A HA -0.112 4.208 4.320 -0.000 0.000 0.223 377 A C 1.676 179.244 177.584 -0.027 0.000 1.189 377 A CA 1.905 53.932 52.037 -0.017 0.000 0.658 377 A CB -0.641 18.349 19.000 -0.016 0.000 0.820 377 A HN 0.686 nan 8.150 nan 0.000 0.464 378 A N -1.335 121.467 122.820 -0.031 0.000 3.041 378 A HA 0.552 4.872 4.320 -0.000 0.000 0.307 378 A C 0.068 177.626 177.584 -0.042 0.000 1.116 378 A CA -0.095 51.915 52.037 -0.045 0.000 1.001 378 A CB -0.070 18.895 19.000 -0.059 0.000 1.112 378 A HN 0.511 nan 8.150 nan 0.000 0.556 379 Q N 0.932 120.714 119.800 -0.030 0.000 2.340 379 Q HA 0.478 4.818 4.340 -0.000 0.000 0.268 379 Q C 0.156 176.144 176.000 -0.020 0.000 1.031 379 Q CA -0.480 55.309 55.803 -0.022 0.000 0.804 379 Q CB 1.646 30.377 28.738 -0.011 0.000 1.286 379 Q HN 0.533 nan 8.270 nan 0.000 0.448 380 T N 0.084 114.627 114.554 -0.018 0.000 2.856 380 T HA 0.092 4.442 4.350 -0.000 0.000 0.306 380 T C 1.003 175.701 174.700 -0.004 0.000 1.062 380 T CA -0.258 61.834 62.100 -0.014 0.000 1.083 380 T CB 1.065 69.926 68.868 -0.011 0.000 0.984 380 T HN 0.848 nan 8.240 nan 0.000 0.542 381 R N 1.171 121.670 120.500 -0.002 0.000 2.091 381 R HA -0.127 4.213 4.340 -0.000 0.000 0.238 381 R C 2.585 178.892 176.300 0.011 0.000 1.136 381 R CA 1.604 57.706 56.100 0.004 0.000 0.959 381 R CB -1.042 29.259 30.300 0.003 0.000 0.856 381 R HN 0.877 nan 8.270 nan 0.000 0.437 382 A N 0.805 123.632 122.820 0.012 0.000 1.883 382 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 382 A C 2.089 179.690 177.584 0.029 0.000 1.186 382 A CA 1.753 53.803 52.037 0.021 0.000 0.624 382 A CB -0.545 18.465 19.000 0.016 0.000 0.822 382 A HN 0.444 nan 8.150 nan 0.000 0.444 383 M N -0.199 119.415 119.600 0.023 0.000 2.175 383 M HA -0.051 4.429 4.480 -0.000 0.000 0.264 383 M C 1.783 178.096 176.300 0.021 0.000 1.063 383 M CA 1.683 56.998 55.300 0.025 0.000 1.119 383 M CB -0.485 32.126 32.600 0.019 0.000 1.377 383 M HN 0.368 nan 8.290 nan 0.000 0.415 384 K N -0.326 120.083 120.400 0.015 0.000 2.001 384 K HA -0.279 4.041 4.320 -0.000 0.000 0.214 384 K C 2.125 178.735 176.600 0.017 0.000 1.050 384 K CA 2.270 58.564 56.287 0.012 0.000 0.934 384 K CB -0.444 32.060 32.500 0.008 0.000 0.718 384 K HN 0.559 nan 8.250 nan 0.000 0.443 385 Q N 0.508 120.321 119.800 0.022 0.000 1.978 385 Q HA -0.236 4.104 4.340 -0.000 0.000 0.211 385 Q C 2.072 178.090 176.000 0.030 0.000 1.013 385 Q CA 3.066 58.886 55.803 0.028 0.000 0.869 385 Q CB -0.202 28.560 28.738 0.040 0.000 0.953 385 Q HN 0.335 nan 8.270 nan 0.000 0.415 386 V N -2.034 117.907 119.914 0.044 0.000 2.427 386 V HA -0.084 4.035 4.120 -0.000 0.000 0.248 386 V C 2.170 178.276 176.094 0.021 0.000 1.051 386 V CA 1.678 64.003 62.300 0.042 0.000 1.048 386 V CB -1.495 30.375 31.823 0.078 0.000 0.666 386 V HN 0.452 nan 8.190 nan 0.000 0.456 387 A N 1.630 124.463 122.820 0.021 0.000 1.902 387 A HA 0.033 4.353 4.320 -0.000 0.000 0.217 387 A C 2.437 180.026 177.584 0.008 0.000 1.181 387 A CA 2.035 54.081 52.037 0.014 0.000 0.623 387 A CB -1.577 17.432 19.000 0.015 0.000 0.818 387 A HN 0.689 nan 8.150 nan 0.000 0.443 388 G N -0.823 107.981 108.800 0.007 0.000 2.469 388 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.219 388 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.219 388 G C 1.576 176.474 174.900 -0.003 0.000 1.150 388 G CA 1.792 46.894 45.100 0.003 0.000 0.763 388 G HN 0.458 nan 8.290 nan 0.000 0.561 389 T N 0.756 115.305 114.554 -0.008 0.000 2.777 389 T HA -0.102 4.248 4.350 -0.000 0.000 0.266 389 T C 2.257 176.942 174.700 -0.025 0.000 1.040 389 T CA 1.370 63.457 62.100 -0.022 0.000 1.141 389 T CB -0.185 68.661 68.868 -0.036 0.000 0.868 389 T HN 0.313 nan 8.240 nan 0.000 0.444 390 M N 1.141 120.730 119.600 -0.020 0.000 2.132 390 M HA -0.063 4.417 4.480 -0.000 0.000 0.263 390 M C 2.360 178.656 176.300 -0.006 0.000 1.065 390 M CA 1.670 56.958 55.300 -0.020 0.000 1.122 390 M CB -0.168 32.423 32.600 -0.015 0.000 1.365 390 M HN 0.077 nan 8.290 nan 0.000 0.411 391 K N 0.304 120.706 120.400 0.002 0.000 2.097 391 K HA -0.211 4.109 4.320 -0.000 0.000 0.206 391 K C 1.920 178.526 176.600 0.009 0.000 1.049 391 K CA 1.543 57.836 56.287 0.010 0.000 0.933 391 K CB -0.320 32.187 32.500 0.012 0.000 0.717 391 K HN 0.418 nan 8.250 nan 0.000 0.442 392 L N 1.623 122.847 121.223 0.002 0.000 2.005 392 L HA -0.109 4.231 4.340 -0.000 0.000 0.207 392 L C 1.939 178.813 176.870 0.006 0.000 1.072 392 L CA 1.784 56.625 54.840 0.002 0.000 0.744 392 L CB -0.467 41.590 42.059 -0.005 0.000 0.895 392 L HN 0.206 nan 8.230 nan 0.000 0.433 393 E N -0.261 119.937 120.200 -0.004 0.000 2.049 393 E HA -0.274 4.076 4.350 -0.000 0.000 0.198 393 E C 2.263 178.885 176.600 0.037 0.000 1.007 393 E CA 2.126 58.525 56.400 -0.002 0.000 0.809 393 E CB -0.398 29.280 29.700 -0.037 0.000 0.749 393 E HN 0.512 nan 8.360 nan 0.000 0.450 394 L N 0.270 121.517 121.223 0.040 0.000 2.043 394 L HA -0.259 4.080 4.340 -0.000 0.000 0.212 394 L C 2.545 179.485 176.870 0.117 0.000 1.075 394 L CA 1.116 56.021 54.840 0.109 0.000 0.752 394 L CB -0.509 41.598 42.059 0.080 0.000 0.891 394 L HN 0.207 nan 8.230 nan 0.000 0.432 395 A N -0.450 122.402 122.820 0.053 0.000 1.940 395 A HA -0.252 4.068 4.320 -0.000 0.000 0.219 395 A C 2.199 179.791 177.584 0.014 0.000 1.176 395 A CA 1.648 53.699 52.037 0.023 0.000 0.631 395 A CB -0.417 18.588 19.000 0.009 0.000 0.814 395 A HN 0.551 nan 8.150 nan 0.000 0.446 396 Q N -1.990 117.829 119.800 0.033 0.000 2.079 396 Q HA -0.182 4.158 4.340 -0.000 0.000 0.200 396 Q C 2.066 178.087 176.000 0.036 0.000 0.974 396 Q CA 1.527 57.343 55.803 0.021 0.000 0.840 396 Q CB -0.459 28.295 28.738 0.027 0.000 0.898 396 Q HN 0.790 nan 8.270 nan 0.000 0.430 397 Y N 2.214 122.479 120.300 -0.059 0.000 2.081 397 Y HA -0.276 4.274 4.550 -0.000 0.000 0.280 397 Y C 2.195 178.040 175.900 -0.092 0.000 1.163 397 Y CA 1.753 59.812 58.100 -0.068 0.000 1.135 397 Y CB -0.271 38.157 38.460 -0.052 0.000 0.970 397 Y HN -0.093 nan 8.280 nan 0.000 0.498 398 R N 0.298 120.658 120.500 -0.235 0.000 2.119 398 R HA -0.233 4.107 4.340 -0.000 0.000 0.246 398 R C 2.204 178.307 176.300 -0.329 0.000 1.146 398 R CA 2.128 58.023 56.100 -0.342 0.000 0.962 398 R CB -0.406 29.795 30.300 -0.165 0.000 0.863 398 R HN 0.555 nan 8.270 nan 0.000 0.442 399 E N -0.390 119.668 120.200 -0.236 0.000 2.130 399 E HA -0.195 4.155 4.350 -0.000 0.000 0.196 399 E C 1.706 178.024 176.600 -0.470 0.000 0.998 399 E CA 1.485 57.731 56.400 -0.258 0.000 0.806 399 E CB 0.039 29.646 29.700 -0.155 0.000 0.738 399 E HN 0.159 nan 8.360 nan 0.000 0.459 400 V N 0.252 119.870 119.914 -0.494 0.000 3.565 400 V HA 0.098 4.218 4.120 -0.000 0.000 0.260 400 V C 1.898 177.625 176.094 -0.613 0.000 1.231 400 V CA 0.771 62.621 62.300 -0.749 0.000 1.100 400 V CB 0.370 32.011 31.823 -0.304 0.000 0.807 400 V HN 0.247 nan 8.190 nan 0.000 0.454 401 A N 0.563 123.064 122.820 -0.531 0.000 2.159 401 A HA -0.226 4.094 4.320 -0.000 0.000 0.222 401 A C 2.264 179.697 177.584 -0.252 0.000 1.163 401 A CA 2.253 54.001 52.037 -0.483 0.000 0.664 401 A CB -0.354 18.163 19.000 -0.805 0.000 0.803 401 A HN 0.600 nan 8.150 nan 0.000 0.470 402 A N -0.968 121.687 122.820 -0.276 0.000 1.903 402 A HA 0.251 4.571 4.320 -0.000 0.000 0.213 402 A C 1.598 179.272 177.584 0.150 0.000 1.185 402 A CA 0.961 52.959 52.037 -0.064 0.000 0.628 402 A CB -0.558 18.401 19.000 -0.068 0.000 0.830 402 A HN 0.438 nan 8.150 nan 0.000 0.446 403 F N 1.069 121.038 119.950 0.031 0.000 2.449 403 F HA -0.052 4.475 4.527 -0.000 0.000 0.299 403 F C 2.454 178.326 175.800 0.120 0.000 1.092 403 F CA -0.180 57.865 58.000 0.074 0.000 1.446 403 F CB -1.621 37.405 39.000 0.043 0.000 1.084 403 F HN 0.278 nan 8.300 nan 0.000 0.567 404 A N 0.794 123.761 122.820 0.246 0.000 1.862 404 A HA -0.295 4.025 4.320 -0.000 0.000 0.214 404 A C 2.078 179.759 177.584 0.161 0.000 1.228 404 A CA 1.991 54.135 52.037 0.177 0.000 0.665 404 A CB -1.160 17.916 19.000 0.126 0.000 0.845 404 A HN 0.443 nan 8.150 nan 0.000 0.459 405 Q N -1.798 118.092 119.800 0.150 0.000 2.561 405 Q HA -0.029 4.311 4.340 -0.000 0.000 0.217 405 Q C 0.457 176.289 176.000 -0.281 0.000 0.980 405 Q CA 0.905 56.675 55.803 -0.056 0.000 0.927 405 Q CB -0.166 28.510 28.738 -0.104 0.000 0.980 405 Q HN 0.759 nan 8.270 nan 0.000 0.525 406 F N -2.134 117.855 119.950 0.064 0.000 2.880 406 F HA 0.253 4.780 4.527 -0.000 0.000 0.346 406 F C 1.276 177.096 175.800 0.033 0.000 1.054 406 F CA -0.480 57.546 58.000 0.044 0.000 1.151 406 F CB 0.691 39.717 39.000 0.043 0.000 1.066 406 F HN -0.135 nan 8.300 nan 0.000 0.566 407 G N 0.639 109.565 108.800 0.211 0.000 2.821 407 G HA2 0.219 4.179 3.960 -0.000 0.000 0.289 407 G HA3 0.219 4.179 3.960 -0.000 0.000 0.289 407 G C 0.180 175.124 174.900 0.073 0.000 0.771 407 G CA -0.065 45.109 45.100 0.124 0.000 1.908 407 G HN 0.094 nan 8.290 nan 0.000 0.539 408 S N 1.048 116.778 115.700 0.050 0.000 3.324 408 S HA 0.215 4.685 4.470 -0.000 0.000 0.229 408 S C 0.371 174.981 174.600 0.018 0.000 1.417 408 S CA -0.189 58.026 58.200 0.025 0.000 1.211 408 S CB -0.015 63.194 63.200 0.014 0.000 1.157 408 S HN 0.783 nan 8.310 nan 0.000 0.491 409 D N 0.304 120.717 120.400 0.021 0.000 4.428 409 D HA -0.004 4.636 4.640 -0.000 0.000 0.114 409 D C -0.595 175.715 176.300 0.017 0.000 0.522 409 D CA -0.174 53.834 54.000 0.013 0.000 0.610 409 D CB -0.506 40.296 40.800 0.004 0.000 1.645 409 D HN 0.251 nan 8.370 nan 0.000 0.249 410 L N 2.149 123.393 121.223 0.034 0.000 2.416 410 L HA 0.241 4.581 4.340 -0.000 0.000 0.272 410 L C 0.959 177.852 176.870 0.039 0.000 1.161 410 L CA -0.187 54.682 54.840 0.048 0.000 0.845 410 L CB 0.414 42.527 42.059 0.089 0.000 1.119 410 L HN 0.278 nan 8.230 nan 0.000 0.464 411 D N 2.634 123.056 120.400 0.037 0.000 2.400 411 D HA -0.016 4.624 4.640 -0.000 0.000 0.238 411 D C 0.873 177.192 176.300 0.032 0.000 1.157 411 D CA -0.000 54.017 54.000 0.028 0.000 0.889 411 D CB 1.373 42.188 40.800 0.025 0.000 1.199 411 D HN 0.604 nan 8.370 nan 0.000 0.436 412 A N 1.831 124.663 122.820 0.021 0.000 2.032 412 A HA -0.095 4.224 4.320 -0.000 0.000 0.221 412 A C 2.184 179.779 177.584 0.018 0.000 1.165 412 A CA 2.195 54.242 52.037 0.016 0.000 0.645 412 A CB -0.764 18.241 19.000 0.007 0.000 0.807 412 A HN 0.741 nan 8.150 nan 0.000 0.453 413 A N -0.376 122.457 122.820 0.022 0.000 1.840 413 A HA -0.066 4.253 4.320 -0.000 0.000 0.214 413 A C 2.485 180.091 177.584 0.037 0.000 1.198 413 A CA 2.426 54.476 52.037 0.023 0.000 0.608 413 A CB -1.387 17.627 19.000 0.024 0.000 0.839 413 A HN 0.829 nan 8.150 nan 0.000 0.443 414 T N -2.416 112.174 114.554 0.059 0.000 2.915 414 T HA -0.170 4.180 4.350 -0.000 0.000 0.269 414 T C 1.849 176.598 174.700 0.082 0.000 1.071 414 T CA 1.560 63.712 62.100 0.087 0.000 1.132 414 T CB -0.335 68.619 68.868 0.143 0.000 0.878 414 T HN 0.527 nan 8.240 nan 0.000 0.479 415 Q N 0.037 119.875 119.800 0.063 0.000 2.369 415 Q HA -0.100 4.239 4.340 -0.000 0.000 0.206 415 Q C 2.311 178.330 176.000 0.031 0.000 0.963 415 Q CA 1.139 56.974 55.803 0.053 0.000 0.894 415 Q CB -0.052 28.710 28.738 0.039 0.000 0.965 415 Q HN 0.649 nan 8.270 nan 0.000 0.475 416 Q N 0.061 119.873 119.800 0.020 0.000 2.302 416 Q HA 0.005 4.345 4.340 -0.000 0.000 0.202 416 Q C 1.779 177.775 176.000 -0.007 0.000 0.936 416 Q CA 0.773 56.573 55.803 -0.006 0.000 0.886 416 Q CB -0.047 28.681 28.738 -0.017 0.000 0.986 416 Q HN 0.433 nan 8.270 nan 0.000 0.487 417 L N -0.150 121.088 121.223 0.025 0.000 2.046 417 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 417 L C 2.228 179.144 176.870 0.076 0.000 1.077 417 L CA 1.104 55.972 54.840 0.046 0.000 0.747 417 L CB -0.519 41.584 42.059 0.074 0.000 0.896 417 L HN 0.285 nan 8.230 nan 0.000 0.432 418 L N -1.011 120.277 121.223 0.107 0.000 2.017 418 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 418 L C 2.729 179.579 176.870 -0.035 0.000 1.073 418 L CA 1.238 56.166 54.840 0.148 0.000 0.745 418 L CB -0.551 41.595 42.059 0.145 0.000 0.894 418 L HN 0.173 nan 8.230 nan 0.000 0.432 419 S N -0.805 114.868 115.700 -0.045 0.000 2.368 419 S HA -0.139 4.331 4.470 -0.000 0.000 0.225 419 S C 2.126 176.629 174.600 -0.162 0.000 1.030 419 S CA 0.899 59.044 58.200 -0.091 0.000 0.999 419 S CB -0.199 62.963 63.200 -0.064 0.000 0.844 419 S HN 0.257 nan 8.310 nan 0.000 0.459 420 R N 1.185 121.588 120.500 -0.162 0.000 2.073 420 R HA -0.001 4.339 4.340 -0.000 0.000 0.234 420 R C 2.536 178.647 176.300 -0.315 0.000 1.134 420 R CA 1.537 57.521 56.100 -0.194 0.000 0.952 420 R CB -1.521 28.693 30.300 -0.144 0.000 0.850 420 R HN 0.490 nan 8.270 nan 0.000 0.433 421 G N 0.350 108.840 108.800 -0.517 0.000 2.440 421 G HA2 -0.222 3.737 3.960 -0.000 0.000 0.218 421 G HA3 -0.222 3.737 3.960 -0.000 0.000 0.218 421 G C 1.518 175.750 174.900 -1.112 0.000 1.154 421 G CA 1.395 45.778 45.100 -1.194 0.000 0.767 421 G HN 0.345 nan 8.290 nan 0.000 0.552 422 V N -0.772 118.730 119.914 -0.687 0.000 2.323 422 V HA -0.000 4.120 4.120 -0.000 0.000 0.244 422 V C 2.685 178.644 176.094 -0.226 0.000 1.041 422 V CA 1.888 63.993 62.300 -0.325 0.000 1.025 422 V CB -0.705 31.033 31.823 -0.141 0.000 0.656 422 V HN 0.138 nan 8.190 nan 0.000 0.451 423 R N 0.793 121.164 120.500 -0.215 0.000 2.112 423 R HA -0.074 4.266 4.340 -0.000 0.000 0.242 423 R C 2.307 178.517 176.300 -0.150 0.000 1.137 423 R CA 2.407 58.408 56.100 -0.165 0.000 0.944 423 R CB -1.436 28.762 30.300 -0.170 0.000 0.857 423 R HN 0.615 nan 8.270 nan 0.000 0.435 424 L N -0.516 120.599 121.223 -0.180 0.000 2.056 424 L HA -0.165 4.174 4.340 -0.000 0.000 0.207 424 L C 2.174 178.989 176.870 -0.092 0.000 1.078 424 L CA 1.721 56.485 54.840 -0.127 0.000 0.749 424 L CB -0.792 41.189 42.059 -0.131 0.000 0.901 424 L HN 0.280 nan 8.230 nan 0.000 0.433 425 T N -0.756 113.729 114.554 -0.116 0.000 2.665 425 T HA -0.200 4.150 4.350 -0.000 0.000 0.268 425 T C 1.775 176.455 174.700 -0.033 0.000 1.035 425 T CA 1.382 63.454 62.100 -0.047 0.000 1.151 425 T CB -0.189 68.665 68.868 -0.023 0.000 0.862 425 T HN 0.296 nan 8.240 nan 0.000 0.438 426 E N 1.121 121.293 120.200 -0.047 0.000 2.110 426 E HA -0.023 4.327 4.350 -0.000 0.000 0.193 426 E C 2.206 178.797 176.600 -0.015 0.000 0.988 426 E CA 0.760 57.145 56.400 -0.026 0.000 0.804 426 E CB -0.415 29.267 29.700 -0.030 0.000 0.745 426 E HN 0.508 nan 8.360 nan 0.000 0.458 427 L N 0.336 121.544 121.223 -0.025 0.000 2.465 427 L HA -0.034 4.306 4.340 -0.000 0.000 0.224 427 L C 2.223 179.096 176.870 0.004 0.000 1.145 427 L CA 0.256 55.095 54.840 -0.002 0.000 0.834 427 L CB -0.194 41.862 42.059 -0.005 0.000 0.944 427 L HN 0.048 nan 8.230 nan 0.000 0.451 428 L N -0.628 120.592 121.223 -0.004 0.000 2.446 428 L HA 0.034 4.373 4.340 -0.000 0.000 0.219 428 L C 0.978 177.846 176.870 -0.003 0.000 1.116 428 L CA 0.174 55.014 54.840 0.001 0.000 0.844 428 L CB -0.056 42.004 42.059 0.003 0.000 0.970 428 L HN 0.166 nan 8.230 nan 0.000 0.457 429 K N 1.108 121.503 120.400 -0.008 0.000 2.380 429 K HA 0.097 4.417 4.320 -0.000 0.000 0.267 429 K C -0.001 176.591 176.600 -0.013 0.000 0.990 429 K CA 0.501 56.776 56.287 -0.020 0.000 0.946 429 K CB 0.438 32.925 32.500 -0.020 0.000 0.937 429 K HN -0.027 nan 8.250 nan 0.000 0.491 430 Q N 0.391 120.175 119.800 -0.027 0.000 2.443 430 Q HA 0.223 4.563 4.340 -0.000 0.000 0.258 430 Q C -0.901 175.080 176.000 -0.032 0.000 0.967 430 Q CA -0.562 55.230 55.803 -0.018 0.000 0.951 430 Q CB 1.401 30.132 28.738 -0.011 0.000 1.459 430 Q HN 0.794 nan 8.270 nan 0.000 0.415 431 G N 2.236 111.027 108.800 -0.015 0.000 2.559 431 G HA2 0.051 4.011 3.960 -0.000 0.000 0.235 431 G HA3 0.051 4.011 3.960 -0.000 0.000 0.235 431 G C -0.421 174.460 174.900 -0.031 0.000 1.266 431 G CA -0.094 45.000 45.100 -0.010 0.000 0.847 431 G HN 0.666 nan 8.290 nan 0.000 0.583 432 Q N -0.165 119.603 119.800 -0.052 0.000 2.354 432 Q HA 0.277 4.616 4.340 -0.000 0.000 0.244 432 Q C -0.229 175.716 176.000 -0.092 0.000 0.969 432 Q CA -0.479 55.199 55.803 -0.207 0.000 0.885 432 Q CB 0.241 28.768 28.738 -0.352 0.000 1.241 432 Q HN 0.672 nan 8.270 nan 0.000 0.461 433 Y N -0.249 120.050 120.300 -0.003 0.000 4.604 433 Y HA -0.289 4.261 4.550 -0.000 0.000 0.230 433 Y C -0.003 175.891 175.900 -0.011 0.000 1.066 433 Y CA 0.852 58.947 58.100 -0.010 0.000 1.990 433 Y CB -2.437 36.015 38.460 -0.013 0.000 1.619 433 Y HN 0.491 nan 8.280 nan 0.000 0.649 434 S N -1.068 114.679 115.700 0.078 0.000 2.062 434 S HA 0.492 4.962 4.470 -0.000 0.000 0.163 434 S C -2.485 172.125 174.600 0.016 0.000 1.612 434 S CA -1.266 56.962 58.200 0.047 0.000 1.251 434 S CB 1.065 64.290 63.200 0.042 0.000 1.174 434 S HN 0.071 nan 8.310 nan 0.000 0.428 435 P HA 0.174 nan 4.420 nan 0.000 0.267 435 P C 0.014 177.306 177.300 -0.012 0.000 1.209 435 P CA 0.044 63.145 63.100 0.001 0.000 0.763 435 P CB 0.409 32.112 31.700 0.006 0.000 0.816 436 M N 1.837 121.432 119.600 -0.008 0.000 2.471 436 M HA 0.721 5.201 4.480 -0.000 0.000 0.309 436 M C 0.275 176.566 176.300 -0.015 0.000 1.186 436 M CA -1.127 54.162 55.300 -0.018 0.000 1.008 436 M CB 1.152 33.746 32.600 -0.010 0.000 1.551 436 M HN 0.170 nan 8.290 nan 0.000 0.477 437 A N 0.956 123.757 122.820 -0.031 0.000 2.332 437 A HA 0.366 4.686 4.320 -0.000 0.000 0.258 437 A C 0.840 178.435 177.584 0.019 0.000 1.087 437 A CA -0.586 51.441 52.037 -0.016 0.000 0.802 437 A CB 0.206 19.177 19.000 -0.048 0.000 1.042 437 A HN 0.933 nan 8.150 nan 0.000 0.489 438 I N 0.422 121.025 120.570 0.056 0.000 2.163 438 I HA -0.202 3.968 4.170 -0.000 0.000 0.243 438 I C 2.065 178.198 176.117 0.026 0.000 1.085 438 I CA 2.066 63.395 61.300 0.048 0.000 1.347 438 I CB -0.488 37.547 38.000 0.058 0.000 1.044 438 I HN 0.835 nan 8.210 nan 0.000 0.408 439 E N 0.262 120.471 120.200 0.014 0.000 2.118 439 E HA -0.255 4.095 4.350 -0.000 0.000 0.195 439 E C 2.058 178.650 176.600 -0.014 0.000 0.992 439 E CA 1.689 58.086 56.400 -0.005 0.000 0.804 439 E CB -0.382 29.306 29.700 -0.021 0.000 0.741 439 E HN 0.585 nan 8.360 nan 0.000 0.458 440 E N 0.638 120.825 120.200 -0.021 0.000 2.152 440 E HA -0.156 4.194 4.350 -0.000 0.000 0.192 440 E C 2.088 178.696 176.600 0.014 0.000 0.983 440 E CA 0.886 57.268 56.400 -0.030 0.000 0.818 440 E CB -0.031 29.641 29.700 -0.046 0.000 0.758 440 E HN 0.348 nan 8.360 nan 0.000 0.467 441 Q N 0.297 120.112 119.800 0.025 0.000 2.079 441 Q HA -0.140 4.200 4.340 -0.000 0.000 0.200 441 Q C 2.625 178.665 176.000 0.067 0.000 0.974 441 Q CA 1.719 57.548 55.803 0.044 0.000 0.840 441 Q CB -0.303 28.456 28.738 0.036 0.000 0.898 441 Q HN 0.333 nan 8.270 nan 0.000 0.430 442 V N -0.577 119.374 119.914 0.060 0.000 2.358 442 V HA -0.160 3.959 4.120 -0.000 0.000 0.246 442 V C 2.169 178.348 176.094 0.142 0.000 1.047 442 V CA 1.858 64.210 62.300 0.087 0.000 1.035 442 V CB -0.940 30.922 31.823 0.065 0.000 0.658 442 V HN 0.291 nan 8.190 nan 0.000 0.452 443 A N 0.794 123.680 122.820 0.109 0.000 1.883 443 A HA -0.157 4.162 4.320 -0.000 0.000 0.217 443 A C 2.577 180.369 177.584 0.346 0.000 1.186 443 A CA 3.056 55.195 52.037 0.170 0.000 0.624 443 A CB -1.159 17.874 19.000 0.055 0.000 0.822 443 A HN 1.325 nan 8.150 nan 0.000 0.444 444 V N -1.332 118.744 119.914 0.270 0.000 2.488 444 V HA -0.099 4.021 4.120 -0.000 0.000 0.246 444 V C 2.056 178.259 176.094 0.182 0.000 1.046 444 V CA 1.566 64.040 62.300 0.289 0.000 1.053 444 V CB -0.594 31.367 31.823 0.229 0.000 0.679 444 V HN 0.425 nan 8.190 nan 0.000 0.458 445 I N 0.013 120.671 120.570 0.147 0.000 2.179 445 I HA -0.183 3.987 4.170 -0.000 0.000 0.242 445 I C 2.544 178.724 176.117 0.105 0.000 1.088 445 I CA 2.440 63.796 61.300 0.093 0.000 1.357 445 I CB -1.439 36.606 38.000 0.075 0.000 1.051 445 I HN 0.530 nan 8.210 nan 0.000 0.409 446 Y N 2.366 122.698 120.300 0.053 0.000 2.062 446 Y HA -0.389 4.161 4.550 -0.000 0.000 0.276 446 Y C 2.681 178.623 175.900 0.069 0.000 1.189 446 Y CA 2.403 60.540 58.100 0.062 0.000 1.130 446 Y CB -0.515 38.003 38.460 0.098 0.000 0.959 446 Y HN 0.158 nan 8.280 nan 0.000 0.499 447 A N 0.318 123.269 122.820 0.217 0.000 1.881 447 A HA -0.310 4.010 4.320 -0.000 0.000 0.219 447 A C 2.518 180.054 177.584 -0.080 0.000 1.215 447 A CA 2.669 54.753 52.037 0.079 0.000 0.648 447 A CB -1.896 17.054 19.000 -0.083 0.000 0.832 447 A HN 0.692 nan 8.150 nan 0.000 0.455 448 G N -1.668 107.073 108.800 -0.100 0.000 2.404 448 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.215 448 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.215 448 G C 1.549 176.340 174.900 -0.182 0.000 1.174 448 G CA 1.120 46.135 45.100 -0.142 0.000 0.780 448 G HN 0.579 nan 8.290 nan 0.000 0.537 449 V N 0.494 120.302 119.914 -0.178 0.000 3.041 449 V HA 0.101 4.220 4.120 -0.000 0.000 0.260 449 V C 2.214 178.131 176.094 -0.295 0.000 1.105 449 V CA 0.882 63.066 62.300 -0.193 0.000 1.125 449 V CB -0.334 31.411 31.823 -0.130 0.000 0.730 449 V HN 0.184 nan 8.190 nan 0.000 0.479 450 R N 0.013 120.244 120.500 -0.448 0.000 2.317 450 R HA 0.285 4.625 4.340 -0.000 0.000 0.208 450 R C 1.699 177.587 176.300 -0.686 0.000 0.914 450 R CA 0.679 56.389 56.100 -0.651 0.000 1.060 450 R CB -0.284 29.402 30.300 -1.023 0.000 1.015 450 R HN 0.569 nan 8.270 nan 0.000 0.498 451 G N 0.601 109.128 108.800 -0.454 0.000 2.184 451 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.264 451 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.264 451 G C 0.590 175.303 174.900 -0.312 0.000 0.975 451 G CA 0.473 45.364 45.100 -0.349 0.000 0.642 451 G HN 0.342 nan 8.290 nan 0.000 0.536 452 Y N 0.112 120.283 120.300 -0.216 0.000 2.333 452 Y HA 0.146 4.695 4.550 -0.000 0.000 0.290 452 Y C 2.652 178.388 175.900 -0.274 0.000 1.144 452 Y CA 1.485 59.458 58.100 -0.211 0.000 1.228 452 Y CB -0.154 38.180 38.460 -0.211 0.000 0.985 452 Y HN 0.387 nan 8.280 nan 0.000 0.542 453 L N -0.242 120.872 121.223 -0.182 0.000 2.653 453 L HA 0.061 4.401 4.340 -0.000 0.000 0.231 453 L C 0.770 177.524 176.870 -0.194 0.000 1.153 453 L CA 0.021 54.688 54.840 -0.287 0.000 0.933 453 L CB -0.089 41.745 42.059 -0.374 0.000 1.175 453 L HN 0.049 nan 8.230 nan 0.000 0.473 454 D N 0.546 120.855 120.400 -0.151 0.000 2.310 454 D HA -0.107 4.533 4.640 -0.000 0.000 0.212 454 D C 1.914 178.161 176.300 -0.089 0.000 0.965 454 D CA 0.893 54.820 54.000 -0.121 0.000 0.879 454 D CB 0.282 41.013 40.800 -0.116 0.000 0.921 454 D HN 0.161 nan 8.370 nan 0.000 0.510 455 K N -0.036 120.316 120.400 -0.080 0.000 2.242 455 K HA 0.079 4.399 4.320 -0.000 0.000 0.200 455 K C 0.918 177.495 176.600 -0.038 0.000 1.050 455 K CA -0.382 55.878 56.287 -0.046 0.000 0.981 455 K CB -0.228 32.258 32.500 -0.024 0.000 0.795 455 K HN 0.124 nan 8.250 nan 0.000 0.477 456 L N 2.949 124.129 121.223 -0.072 0.000 2.506 456 L HA -0.035 4.305 4.340 -0.000 0.000 0.281 456 L C 0.414 177.273 176.870 -0.018 0.000 1.228 456 L CA 0.393 55.209 54.840 -0.040 0.000 0.850 456 L CB 0.149 42.117 42.059 -0.152 0.000 1.110 456 L HN 0.155 nan 8.230 nan 0.000 0.496 457 E N 6.056 126.278 120.200 0.035 0.000 2.316 457 E HA 0.105 4.455 4.350 -0.000 0.000 0.275 457 E C -1.736 174.880 176.600 0.027 0.000 1.029 457 E CA -1.467 54.951 56.400 0.030 0.000 0.871 457 E CB 1.068 30.799 29.700 0.051 0.000 1.022 457 E HN 0.501 nan 8.360 nan 0.000 0.418 458 P HA -0.297 nan 4.420 nan 0.000 0.219 458 P C 1.162 178.477 177.300 0.026 0.000 1.158 458 P CA 2.012 65.111 63.100 -0.002 0.000 0.895 458 P CB 0.013 31.708 31.700 -0.007 0.000 0.792 459 S N -0.455 115.270 115.700 0.042 0.000 2.400 459 S HA -0.182 4.288 4.470 -0.000 0.000 0.232 459 S C 1.655 176.314 174.600 0.097 0.000 1.025 459 S CA 1.345 59.581 58.200 0.059 0.000 0.993 459 S CB -0.969 62.264 63.200 0.055 0.000 0.808 459 S HN 0.313 nan 8.310 nan 0.000 0.478 460 K N 1.044 121.523 120.400 0.131 0.000 2.243 460 K HA 0.265 4.585 4.320 -0.000 0.000 0.201 460 K C 1.944 178.674 176.600 0.216 0.000 1.051 460 K CA 0.743 57.175 56.287 0.243 0.000 0.970 460 K CB -0.369 32.362 32.500 0.384 0.000 0.755 460 K HN 0.352 nan 8.250 nan 0.000 0.465 461 I N 1.799 122.427 120.570 0.096 0.000 2.185 461 I HA -0.342 3.828 4.170 -0.000 0.000 0.246 461 I C 1.928 178.110 176.117 0.109 0.000 1.088 461 I CA 1.639 62.965 61.300 0.044 0.000 1.347 461 I CB -1.167 36.816 38.000 -0.028 0.000 1.041 461 I HN 0.238 nan 8.210 nan 0.000 0.415 462 T N 0.466 115.082 114.554 0.103 0.000 2.746 462 T HA -0.229 4.121 4.350 -0.000 0.000 0.267 462 T C 1.892 176.678 174.700 0.144 0.000 1.039 462 T CA 1.581 63.742 62.100 0.103 0.000 1.142 462 T CB -0.256 68.659 68.868 0.077 0.000 0.866 462 T HN 0.409 nan 8.240 nan 0.000 0.444 463 K N 0.275 120.797 120.400 0.203 0.000 2.097 463 K HA -0.070 4.250 4.320 -0.000 0.000 0.205 463 K C 2.091 178.852 176.600 0.268 0.000 1.050 463 K CA 0.850 57.298 56.287 0.269 0.000 0.938 463 K CB -0.349 32.374 32.500 0.372 0.000 0.718 463 K HN 0.305 nan 8.250 nan 0.000 0.442 464 F N 2.564 122.499 119.950 -0.025 0.000 2.046 464 F HA -0.248 4.279 4.527 -0.000 0.000 0.297 464 F C 2.400 178.160 175.800 -0.065 0.000 1.123 464 F CA 2.320 60.097 58.000 -0.370 0.000 1.199 464 F CB -0.387 38.274 39.000 -0.566 0.000 0.972 464 F HN 0.203 nan 8.300 nan 0.000 0.474 465 E N 0.001 120.337 120.200 0.226 0.000 2.147 465 E HA -0.372 3.978 4.350 -0.000 0.000 0.199 465 E C 1.950 178.602 176.600 0.087 0.000 1.005 465 E CA 1.725 58.242 56.400 0.195 0.000 0.810 465 E CB -0.450 29.348 29.700 0.164 0.000 0.736 465 E HN 0.531 nan 8.360 nan 0.000 0.460 466 N N -0.067 118.677 118.700 0.074 0.000 2.216 466 N HA -0.094 4.646 4.740 -0.000 0.000 0.183 466 N C 1.535 177.072 175.510 0.045 0.000 1.017 466 N CA 1.613 54.698 53.050 0.058 0.000 0.861 466 N CB -0.175 38.359 38.487 0.079 0.000 0.986 466 N HN 0.213 nan 8.380 nan 0.000 0.428 467 A N -0.096 122.767 122.820 0.072 0.000 1.854 467 A HA 0.003 4.323 4.320 -0.000 0.000 0.214 467 A C 2.113 179.713 177.584 0.027 0.000 1.192 467 A CA 1.050 53.188 52.037 0.167 0.000 0.611 467 A CB -1.291 17.938 19.000 0.383 0.000 0.832 467 A HN 0.417 nan 8.150 nan 0.000 0.442 468 F N 0.502 120.090 119.950 -0.603 0.000 2.091 468 F HA -0.213 4.314 4.527 -0.000 0.000 0.299 468 F C 1.847 177.393 175.800 -0.424 0.000 1.103 468 F CA 1.939 59.296 58.000 -1.071 0.000 1.228 468 F CB -0.475 37.837 39.000 -1.148 0.000 0.984 468 F HN 0.194 nan 8.300 nan 0.000 0.477 469 L N -0.164 120.844 121.223 -0.357 0.000 2.083 469 L HA -0.140 4.200 4.340 -0.000 0.000 0.209 469 L C 2.444 179.164 176.870 -0.250 0.000 1.083 469 L CA 2.048 56.683 54.840 -0.342 0.000 0.752 469 L CB -1.270 40.718 42.059 -0.118 0.000 0.899 469 L HN 0.146 nan 8.230 nan 0.000 0.433 470 S N -1.608 114.018 115.700 -0.124 0.000 2.383 470 S HA -0.219 4.251 4.470 -0.000 0.000 0.227 470 S C 1.899 176.484 174.600 -0.025 0.000 1.026 470 S CA 1.218 59.387 58.200 -0.050 0.000 0.981 470 S CB -0.456 62.755 63.200 0.017 0.000 0.818 470 S HN 0.706 nan 8.310 nan 0.000 0.472 471 H N 1.550 120.537 119.070 -0.140 0.000 2.299 471 H HA -0.013 4.543 4.556 -0.000 0.000 0.302 471 H C 2.227 177.461 175.328 -0.156 0.000 1.078 471 H CA 1.963 57.959 56.048 -0.086 0.000 1.323 471 H CB -0.781 29.004 29.762 0.039 0.000 1.381 471 H HN 0.190 nan 8.280 nan 0.000 0.498 472 V N 0.383 120.005 119.914 -0.486 0.000 2.343 472 V HA -0.169 3.951 4.120 -0.000 0.000 0.247 472 V C 2.326 178.246 176.094 -0.291 0.000 1.051 472 V CA 2.093 64.119 62.300 -0.455 0.000 1.036 472 V CB -0.779 30.692 31.823 -0.587 0.000 0.654 472 V HN 0.499 nan 8.190 nan 0.000 0.451 473 I N 1.171 121.595 120.570 -0.244 0.000 2.335 473 I HA -0.203 3.967 4.170 -0.000 0.000 0.251 473 I C 2.779 178.811 176.117 -0.141 0.000 1.129 473 I CA 2.025 63.228 61.300 -0.163 0.000 1.402 473 I CB -0.587 37.339 38.000 -0.125 0.000 1.069 473 I HN 0.612 nan 8.210 nan 0.000 0.424 474 S N 0.486 116.098 115.700 -0.147 0.000 2.315 474 S HA -0.137 4.333 4.470 -0.000 0.000 0.211 474 S C 1.945 176.431 174.600 -0.190 0.000 1.029 474 S CA 0.807 58.935 58.200 -0.120 0.000 0.956 474 S CB -0.114 63.057 63.200 -0.047 0.000 0.918 474 S HN 0.397 nan 8.310 nan 0.000 0.470 475 Q N -0.668 118.941 119.800 -0.319 0.000 2.245 475 Q HA 0.070 4.410 4.340 -0.000 0.000 0.201 475 Q C 0.225 175.804 176.000 -0.702 0.000 0.955 475 Q CA 0.885 56.376 55.803 -0.521 0.000 0.870 475 Q CB 0.119 28.459 28.738 -0.663 0.000 0.945 475 Q HN 0.741 nan 8.270 nan 0.000 0.461 476 H N -0.350 118.567 119.070 -0.255 0.000 2.505 476 H HA 0.157 4.713 4.556 -0.000 0.000 0.260 476 H C 0.791 176.017 175.328 -0.170 0.000 1.232 476 H CA -0.422 55.501 56.048 -0.208 0.000 0.991 476 H CB 0.612 30.219 29.762 -0.260 0.000 1.729 476 H HN 0.044 nan 8.280 nan 0.000 0.561 477 Q N 1.037 120.788 119.800 -0.083 0.000 2.077 477 Q HA -0.168 4.172 4.340 -0.000 0.000 0.206 477 Q C 2.417 178.389 176.000 -0.045 0.000 0.989 477 Q CA 1.534 57.295 55.803 -0.071 0.000 0.853 477 Q CB -0.269 28.425 28.738 -0.072 0.000 0.907 477 Q HN 0.677 nan 8.270 nan 0.000 0.418 478 A N 0.898 123.699 122.820 -0.031 0.000 1.986 478 A HA -0.182 4.138 4.320 -0.000 0.000 0.220 478 A C 2.090 179.661 177.584 -0.021 0.000 1.171 478 A CA 1.297 53.322 52.037 -0.020 0.000 0.640 478 A CB -0.719 18.276 19.000 -0.007 0.000 0.811 478 A HN 0.410 nan 8.150 nan 0.000 0.451 479 L N -0.983 120.229 121.223 -0.019 0.000 2.179 479 L HA -0.015 4.324 4.340 -0.000 0.000 0.208 479 L C 2.269 179.100 176.870 -0.065 0.000 1.096 479 L CA 1.003 55.813 54.840 -0.050 0.000 0.779 479 L CB -0.206 41.805 42.059 -0.080 0.000 0.922 479 L HN 0.427 nan 8.230 nan 0.000 0.443 480 L N -0.857 120.328 121.223 -0.062 0.000 2.156 480 L HA -0.065 4.275 4.340 -0.000 0.000 0.208 480 L C 2.513 179.356 176.870 -0.046 0.000 1.095 480 L CA 1.069 55.869 54.840 -0.066 0.000 0.770 480 L CB -0.721 41.292 42.059 -0.076 0.000 0.914 480 L HN 0.299 nan 8.230 nan 0.000 0.439 481 G N -0.453 108.323 108.800 -0.039 0.000 2.403 481 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.216 481 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.216 481 G C 1.673 176.559 174.900 -0.024 0.000 1.154 481 G CA 0.213 45.297 45.100 -0.027 0.000 0.784 481 G HN 0.214 nan 8.290 nan 0.000 0.538 482 K N -0.075 120.308 120.400 -0.029 0.000 2.097 482 K HA 0.068 4.388 4.320 -0.000 0.000 0.206 482 K C 2.352 178.935 176.600 -0.028 0.000 1.049 482 K CA 0.730 57.001 56.287 -0.027 0.000 0.933 482 K CB -0.223 32.258 32.500 -0.032 0.000 0.717 482 K HN 0.287 nan 8.250 nan 0.000 0.442 483 I N 0.501 121.049 120.570 -0.037 0.000 2.423 483 I HA -0.306 3.864 4.170 -0.000 0.000 0.254 483 I C 2.584 178.691 176.117 -0.017 0.000 1.151 483 I CA 1.114 62.393 61.300 -0.034 0.000 1.421 483 I CB -0.192 37.780 38.000 -0.046 0.000 1.079 483 I HN 0.221 nan 8.210 nan 0.000 0.431 484 R N 0.383 120.875 120.500 -0.013 0.000 2.046 484 R HA -0.092 4.248 4.340 -0.000 0.000 0.223 484 R C 2.301 178.598 176.300 -0.004 0.000 1.179 484 R CA 1.791 57.889 56.100 -0.003 0.000 0.952 484 R CB -0.397 29.904 30.300 0.003 0.000 0.843 484 R HN 0.130 nan 8.270 nan 0.000 0.439 485 T N 1.878 116.429 114.554 -0.006 0.000 2.481 485 T HA -0.240 4.110 4.350 -0.000 0.000 0.252 485 T C 1.196 175.892 174.700 -0.005 0.000 1.242 485 T CA 2.160 64.257 62.100 -0.005 0.000 1.170 485 T CB -0.783 68.080 68.868 -0.008 0.000 0.860 485 T HN 0.398 nan 8.240 nan 0.000 0.422 486 D N 0.705 121.100 120.400 -0.007 0.000 2.357 486 D HA 0.001 4.641 4.640 -0.000 0.000 0.216 486 D C 1.874 178.172 176.300 -0.003 0.000 0.973 486 D CA 1.240 55.236 54.000 -0.005 0.000 0.912 486 D CB -0.711 40.084 40.800 -0.008 0.000 0.900 486 D HN 0.686 nan 8.370 nan 0.000 0.501 487 G N 1.062 109.861 108.800 -0.003 0.000 2.609 487 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.235 487 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.235 487 G C 0.679 175.580 174.900 0.002 0.000 1.177 487 G CA 1.188 46.288 45.100 -0.001 0.000 0.707 487 G HN 0.574 nan 8.290 nan 0.000 0.513 488 K N -0.429 119.973 120.400 0.003 0.000 2.209 488 K HA 0.806 5.126 4.320 -0.000 0.000 0.252 488 K C -0.489 176.114 176.600 0.005 0.000 1.062 488 K CA -1.146 55.147 56.287 0.009 0.000 1.003 488 K CB 0.986 33.495 32.500 0.014 0.000 1.495 488 K HN 0.134 nan 8.250 nan 0.000 0.641 489 I N 2.641 123.221 120.570 0.017 0.000 2.281 489 I HA 0.043 4.213 4.170 -0.000 0.000 0.293 489 I C 0.337 176.459 176.117 0.008 0.000 1.085 489 I CA 0.059 61.363 61.300 0.007 0.000 1.257 489 I CB 1.087 39.115 38.000 0.047 0.000 1.430 489 I HN 0.665 nan 8.210 nan 0.000 0.489 490 S N 3.872 119.566 115.700 -0.009 0.000 2.608 490 S HA 0.115 4.585 4.470 -0.000 0.000 0.261 490 S C 1.209 175.811 174.600 0.004 0.000 1.314 490 S CA -0.240 57.959 58.200 -0.002 0.000 0.992 490 S CB 0.899 64.093 63.200 -0.009 0.000 0.935 490 S HN 0.717 nan 8.310 nan 0.000 0.564 491 E N 0.423 120.628 120.200 0.009 0.000 2.150 491 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 491 E C 1.775 178.381 176.600 0.011 0.000 0.985 491 E CA 1.402 57.812 56.400 0.017 0.000 0.814 491 E CB -0.096 29.614 29.700 0.017 0.000 0.752 491 E HN 0.827 nan 8.360 nan 0.000 0.466 492 E N -0.084 120.116 120.200 -0.001 0.000 2.006 492 E HA -0.126 4.224 4.350 -0.000 0.000 0.192 492 E C 2.249 178.832 176.600 -0.028 0.000 0.993 492 E CA 1.179 57.573 56.400 -0.009 0.000 0.808 492 E CB -0.135 29.558 29.700 -0.012 0.000 0.764 492 E HN 0.044 nan 8.360 nan 0.000 0.449 493 S N 1.022 116.695 115.700 -0.046 0.000 2.400 493 S HA -0.259 4.211 4.470 -0.000 0.000 0.234 493 S C 1.681 176.209 174.600 -0.120 0.000 1.049 493 S CA 1.803 59.949 58.200 -0.091 0.000 1.039 493 S CB -0.380 62.762 63.200 -0.097 0.000 0.856 493 S HN 0.276 nan 8.310 nan 0.000 0.465 494 D N 0.364 120.731 120.400 -0.055 0.000 2.264 494 D HA 0.080 4.720 4.640 -0.000 0.000 0.208 494 D C 1.728 178.063 176.300 0.060 0.000 0.966 494 D CA 0.939 54.945 54.000 0.009 0.000 0.864 494 D CB -0.125 40.730 40.800 0.093 0.000 0.933 494 D HN 0.376 nan 8.370 nan 0.000 0.499 495 A N 0.018 122.852 122.820 0.023 0.000 1.911 495 A HA 0.031 4.351 4.320 -0.000 0.000 0.212 495 A C 2.065 179.650 177.584 0.002 0.000 1.189 495 A CA 0.987 53.046 52.037 0.036 0.000 0.639 495 A CB -0.373 18.640 19.000 0.023 0.000 0.839 495 A HN 0.133 nan 8.150 nan 0.000 0.449 496 K N -0.032 120.342 120.400 -0.043 0.000 2.057 496 K HA -0.037 4.283 4.320 -0.000 0.000 0.207 496 K C 1.791 178.318 176.600 -0.121 0.000 1.049 496 K CA 1.276 57.511 56.287 -0.086 0.000 0.931 496 K CB -0.354 32.080 32.500 -0.111 0.000 0.714 496 K HN 0.425 nan 8.250 nan 0.000 0.440 497 L N 1.045 122.183 121.223 -0.142 0.000 2.042 497 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 497 L C 2.676 179.512 176.870 -0.056 0.000 1.076 497 L CA 1.606 56.357 54.840 -0.149 0.000 0.749 497 L CB -0.454 41.345 42.059 -0.432 0.000 0.893 497 L HN 0.255 nan 8.230 nan 0.000 0.432 498 K N -0.081 120.338 120.400 0.031 0.000 2.063 498 K HA -0.241 4.079 4.320 -0.000 0.000 0.208 498 K C 1.992 178.547 176.600 -0.074 0.000 1.048 498 K CA 1.606 57.898 56.287 0.009 0.000 0.928 498 K CB 0.127 32.730 32.500 0.172 0.000 0.713 498 K HN 0.137 nan 8.250 nan 0.000 0.442 499 E N 0.992 121.177 120.200 -0.025 0.000 2.006 499 E HA -0.133 4.217 4.350 -0.000 0.000 0.192 499 E C 1.941 178.542 176.600 0.002 0.000 0.993 499 E CA 1.322 57.719 56.400 -0.006 0.000 0.808 499 E CB -0.361 29.342 29.700 0.005 0.000 0.764 499 E HN 0.288 nan 8.360 nan 0.000 0.449 500 I N 0.674 121.236 120.570 -0.014 0.000 2.065 500 I HA -0.370 3.800 4.170 -0.000 0.000 0.236 500 I C 2.439 178.643 176.117 0.146 0.000 1.028 500 I CA 2.073 63.419 61.300 0.076 0.000 1.299 500 I CB -1.007 36.980 38.000 -0.021 0.000 1.015 500 I HN 0.088 nan 8.210 nan 0.000 0.396 501 V N -0.341 119.574 119.914 0.002 0.000 2.282 501 V HA -0.315 3.805 4.120 -0.000 0.000 0.249 501 V C 2.561 178.639 176.094 -0.026 0.000 1.057 501 V CA 2.530 64.763 62.300 -0.111 0.000 1.032 501 V CB -2.160 29.362 31.823 -0.502 0.000 0.645 501 V HN 0.699 nan 8.190 nan 0.000 0.447 502 T N -0.496 113.978 114.554 -0.134 0.000 2.580 502 T HA -0.305 4.045 4.350 -0.000 0.000 0.265 502 T C 1.860 176.618 174.700 0.097 0.000 1.063 502 T CA 2.066 64.157 62.100 -0.015 0.000 1.170 502 T CB -1.045 67.821 68.868 -0.003 0.000 0.863 502 T HN 0.533 nan 8.240 nan 0.000 0.418 503 N N 1.095 119.861 118.700 0.111 0.000 2.011 503 N HA -0.118 4.622 4.740 -0.000 0.000 0.199 503 N C 1.544 177.160 175.510 0.176 0.000 1.047 503 N CA 1.710 54.837 53.050 0.129 0.000 0.863 503 N CB -0.917 37.648 38.487 0.129 0.000 1.056 503 N HN 0.435 nan 8.380 nan 0.000 0.427 504 F N 1.816 121.831 119.950 0.110 0.000 2.032 504 F HA -0.264 4.263 4.527 -0.000 0.000 0.297 504 F C 2.539 178.461 175.800 0.204 0.000 1.125 504 F CA 1.516 59.592 58.000 0.128 0.000 1.202 504 F CB -0.804 38.300 39.000 0.173 0.000 0.958 504 F HN 0.050 nan 8.300 nan 0.000 0.491 505 L N 0.377 121.942 121.223 0.570 0.000 2.021 505 L HA -0.255 4.085 4.340 -0.000 0.000 0.215 505 L C 2.498 179.554 176.870 0.310 0.000 1.074 505 L CA 2.220 57.376 54.840 0.526 0.000 0.760 505 L CB -1.075 41.159 42.059 0.292 0.000 0.889 505 L HN 0.244 nan 8.230 nan 0.000 0.433 506 A N -0.268 122.662 122.820 0.184 0.000 1.892 506 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 506 A C 2.339 179.965 177.584 0.069 0.000 1.188 506 A CA 2.027 54.130 52.037 0.109 0.000 0.631 506 A CB -1.777 17.268 19.000 0.076 0.000 0.822 506 A HN 0.602 nan 8.150 nan 0.000 0.447 507 G N -1.952 106.859 108.800 0.018 0.000 2.408 507 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.217 507 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.217 507 G C 1.435 176.300 174.900 -0.059 0.000 1.150 507 G CA 1.028 46.086 45.100 -0.070 0.000 0.776 507 G HN 0.487 nan 8.290 nan 0.000 0.542 508 F N 1.115 120.970 119.950 -0.158 0.000 2.269 508 F HA 0.082 4.609 4.527 -0.000 0.000 0.301 508 F C 2.012 177.819 175.800 0.013 0.000 1.082 508 F CA 1.140 59.097 58.000 -0.071 0.000 1.360 508 F CB 0.333 39.416 39.000 0.138 0.000 1.041 508 F HN 0.160 nan 8.300 nan 0.000 0.512 509 E N 0.497 120.778 120.200 0.134 0.000 2.609 509 E HA 0.287 4.637 4.350 -0.000 0.000 0.208 509 E C 0.450 177.046 176.600 -0.007 0.000 1.013 509 E CA -0.299 56.132 56.400 0.051 0.000 1.093 509 E CB 0.188 29.971 29.700 0.140 0.000 1.129 509 E HN 0.302 nan 8.360 nan 0.000 0.450 510 A N 0.000 122.791 122.820 -0.048 0.000 2.254 510 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 510 A CA 0.000 52.010 52.037 -0.045 0.000 0.836 510 A CB 0.000 18.963 19.000 -0.061 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486