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 3oe7_1_A DATA FIRST_RESID 26 DATA SEQUENCE NLNETGRVLA VGDGIARVFG LNNIQAEELV EFSSGVKGMA LNLEPGQVGI DATA SEQUENCE VLFGSDRLVK EGELVKRTGN IVDVPVGPGL LGRVVDALGN PIDGKGPIDA DATA SEQUENCE AGRSRAQVKA PGILPRRSVH EPVQTGLKAV DALVPIGRGQ RELIIGDRQT DATA SEQUENCE GKTAVALDTI LNQKRWNNGS DESKKLYCVY VAVGQKRSTV AQLVQTLEQH DATA SEQUENCE DAMKYSIIVA ATASEAAPLQ YLAPFTAASI GEWFRDNGKH ALIVYDDLSK DATA SEQUENCE QAVAYRQLSL LLRRPPGREA YPGDVFYLHS RLLERAAKLS EKEGSGSLTA DATA SEQUENCE LPVIETQGGD VSAYIPTNVI SITDGQIFLE AELFYKGIRP AINVGLSVSR DATA SEQUENCE VGSAAQVKAL KQVAGSLKLF LAQYREVAAF AQXXSDLDAS TKQTLVRGER DATA SEQUENCE LTQLLKQNQY SPLATEEQVP LIYAGVNGHL DGIELSRIGE FESSFLSYLK DATA SEQUENCE SNHNELLTEI REKGELSKEL LASLKSATES FVAT 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 26 N HA 0.000 nan 4.740 nan 0.000 0.220 26 N C 0.000 175.514 175.510 0.006 0.000 1.280 26 N CA 0.000 53.054 53.050 0.007 0.000 0.885 26 N CB 0.000 38.486 38.487 -0.001 0.000 1.341 27 L N -0.432 120.796 121.223 0.008 0.000 4.894 27 L HA -0.369 3.971 4.340 0.000 0.000 0.391 27 L C 0.624 177.468 176.870 -0.043 0.000 0.780 27 L CA 1.719 56.557 54.840 -0.003 0.000 2.289 27 L CB -1.599 40.474 42.059 0.023 0.000 1.102 27 L HN 0.409 nan 8.230 nan 0.000 0.635 28 N N 0.075 118.754 118.700 -0.036 0.000 2.216 28 N HA -0.080 4.660 4.740 0.000 0.000 0.183 28 N C 1.389 176.869 175.510 -0.049 0.000 1.017 28 N CA 1.591 54.613 53.050 -0.046 0.000 0.861 28 N CB 0.064 38.532 38.487 -0.033 0.000 0.986 28 N HN 0.541 nan 8.380 nan 0.000 0.428 29 E N -0.544 119.631 120.200 -0.042 0.000 2.511 29 E HA 0.111 4.461 4.350 0.000 0.000 0.209 29 E C 0.200 176.767 176.600 -0.055 0.000 0.986 29 E CA 0.205 56.577 56.400 -0.047 0.000 0.974 29 E CB 0.848 30.526 29.700 -0.036 0.000 1.030 29 E HN 0.323 nan 8.360 nan 0.000 0.490 30 T N -1.745 112.780 114.554 -0.049 0.000 2.907 30 T HA 0.790 5.140 4.350 0.000 0.000 0.290 30 T C 0.260 174.934 174.700 -0.042 0.000 1.066 30 T CA -0.787 61.283 62.100 -0.051 0.000 1.012 30 T CB 2.515 71.365 68.868 -0.030 0.000 1.184 30 T HN 0.015 nan 8.240 nan 0.000 0.522 31 G N 0.093 108.870 108.800 -0.038 0.000 2.695 31 G HA2 0.650 4.610 3.960 0.000 0.000 0.290 31 G HA3 0.650 4.610 3.960 0.000 0.000 0.290 31 G C -1.577 173.351 174.900 0.046 0.000 1.410 31 G CA -1.055 44.048 45.100 0.006 0.000 0.844 31 G HN 0.640 nan 8.290 nan 0.000 0.478 32 R N -0.111 120.463 120.500 0.124 0.000 2.589 32 R HA 0.499 4.840 4.340 0.000 0.000 0.293 32 R C -0.529 175.854 176.300 0.138 0.000 0.963 32 R CA -0.832 55.339 56.100 0.118 0.000 0.905 32 R CB 1.983 32.348 30.300 0.109 0.000 1.144 32 R HN 0.314 nan 8.270 nan 0.000 0.459 33 V N 5.090 125.083 119.914 0.131 0.000 2.421 33 V HA 0.010 4.130 4.120 0.000 0.000 0.271 33 V C 1.842 177.994 176.094 0.097 0.000 1.031 33 V CA 0.222 62.608 62.300 0.143 0.000 1.032 33 V CB 0.249 32.168 31.823 0.160 0.000 1.009 33 V HN 0.649 nan 8.190 nan 0.000 0.477 34 L N 4.275 125.559 121.223 0.101 0.000 2.068 34 L HA 0.290 4.631 4.340 0.000 0.000 0.204 34 L C 1.059 177.955 176.870 0.044 0.000 1.076 34 L CA 1.526 56.406 54.840 0.067 0.000 0.753 34 L CB -0.066 42.045 42.059 0.088 0.000 0.910 34 L HN 0.776 nan 8.230 nan 0.000 0.439 35 A N -1.131 121.718 122.820 0.048 0.000 2.594 35 A HA 0.653 4.973 4.320 0.000 0.000 0.295 35 A C -1.668 175.928 177.584 0.020 0.000 1.071 35 A CA -0.396 51.657 52.037 0.026 0.000 0.685 35 A CB 1.980 20.992 19.000 0.019 0.000 1.285 35 A HN -0.179 nan 8.150 nan 0.000 0.405 36 V N 0.304 120.216 119.914 -0.004 0.000 2.808 36 V HA 0.961 5.081 4.120 0.000 0.000 0.308 36 V C -0.305 175.769 176.094 -0.033 0.000 1.099 36 V CA 0.740 63.022 62.300 -0.030 0.000 0.920 36 V CB 1.866 33.646 31.823 -0.071 0.000 1.014 36 V HN 2.490 nan 8.190 nan 0.000 0.425 37 G N 3.402 112.180 108.800 -0.037 0.000 2.443 37 G HA2 0.490 4.451 3.960 0.000 0.000 0.303 37 G HA3 0.490 4.451 3.960 0.000 0.000 0.303 37 G C -0.998 173.885 174.900 -0.027 0.000 1.613 37 G CA 0.066 45.148 45.100 -0.031 0.000 0.879 37 G HN 1.133 nan 8.290 nan 0.000 0.632 38 D N -0.194 120.191 120.400 -0.025 0.000 2.699 38 D HA -0.133 4.508 4.640 0.000 0.000 0.239 38 D C 1.648 177.937 176.300 -0.019 0.000 1.136 38 D CA 2.683 56.671 54.000 -0.020 0.000 0.668 38 D CB -1.241 39.547 40.800 -0.020 0.000 1.060 38 D HN 2.268 nan 8.370 nan 0.000 0.429 39 G N -0.743 108.042 108.800 -0.025 0.000 2.244 39 G HA2 -0.315 3.645 3.960 0.000 0.000 0.274 39 G HA3 -0.315 3.645 3.960 0.000 0.000 0.274 39 G C 0.307 175.198 174.900 -0.015 0.000 1.002 39 G CA 0.604 45.693 45.100 -0.020 0.000 0.740 39 G HN 0.559 nan 8.290 nan 0.000 0.516 40 I N 0.360 120.917 120.570 -0.023 0.000 2.404 40 I HA 0.677 4.847 4.170 0.000 0.000 0.293 40 I C 0.406 176.513 176.117 -0.016 0.000 0.992 40 I CA -1.044 60.250 61.300 -0.009 0.000 1.149 40 I CB 1.508 39.504 38.000 -0.006 0.000 1.315 40 I HN 0.255 nan 8.210 nan 0.000 0.446 41 A N 7.244 130.073 122.820 0.014 0.000 2.304 41 A HA 0.690 5.011 4.320 0.000 0.000 0.314 41 A C -0.171 177.472 177.584 0.099 0.000 1.187 41 A CA -0.729 51.337 52.037 0.049 0.000 0.810 41 A CB 0.733 19.772 19.000 0.065 0.000 1.183 41 A HN 0.714 nan 8.150 nan 0.000 0.487 42 R N 1.400 121.947 120.500 0.079 0.000 2.265 42 R HA 0.551 4.891 4.340 0.000 0.000 0.319 42 R C -1.095 175.270 176.300 0.108 0.000 1.006 42 R CA -0.308 55.840 56.100 0.079 0.000 0.880 42 R CB 1.587 31.922 30.300 0.058 0.000 1.077 42 R HN 0.437 nan 8.270 nan 0.000 0.454 43 V N 4.345 124.321 119.914 0.104 0.000 2.588 43 V HA 0.304 4.424 4.120 0.000 0.000 0.304 43 V C -0.712 175.452 176.094 0.116 0.000 1.042 43 V CA -0.899 61.471 62.300 0.117 0.000 0.877 43 V CB 1.634 33.503 31.823 0.078 0.000 0.996 43 V HN 0.567 nan 8.190 nan 0.000 0.425 44 F N 4.182 124.139 119.950 0.011 0.000 2.410 44 F HA 0.721 5.248 4.527 0.000 0.000 0.348 44 F C 0.883 176.678 175.800 -0.008 0.000 1.106 44 F CA 1.594 59.595 58.000 0.002 0.000 1.163 44 F CB 0.847 39.849 39.000 0.004 0.000 1.129 44 F HN 0.924 nan 8.300 nan 0.000 0.516 45 G N 4.122 112.577 108.800 -0.574 0.000 2.464 45 G HA2 -0.170 3.790 3.960 0.000 0.000 0.216 45 G HA3 -0.170 3.790 3.960 0.000 0.000 0.216 45 G C 0.014 174.784 174.900 -0.217 0.000 1.186 45 G CA -0.493 44.388 45.100 -0.365 0.000 1.010 45 G HN 1.329 nan 8.290 nan 0.000 0.585 46 L N -0.523 120.620 121.223 -0.132 0.000 3.678 46 L HA -0.209 4.131 4.340 0.000 0.000 0.425 46 L C 1.392 178.197 176.870 -0.109 0.000 1.240 46 L CA 0.524 55.300 54.840 -0.107 0.000 0.876 46 L CB -1.491 40.506 42.059 -0.103 0.000 1.766 46 L HN 0.589 nan 8.230 nan 0.000 0.917 47 N N 0.188 118.818 118.700 -0.118 0.000 2.513 47 N HA -0.096 4.644 4.740 0.000 0.000 0.187 47 N C 1.203 176.669 175.510 -0.073 0.000 1.056 47 N CA 1.049 54.034 53.050 -0.109 0.000 0.907 47 N CB -0.111 38.311 38.487 -0.108 0.000 0.954 47 N HN 0.543 nan 8.380 nan 0.000 0.445 48 N N 0.177 118.840 118.700 -0.062 0.000 2.204 48 N HA 0.161 4.901 4.740 0.000 0.000 0.219 48 N C -0.078 175.406 175.510 -0.043 0.000 1.151 48 N CA -0.185 52.838 53.050 -0.046 0.000 0.867 48 N CB 1.082 39.546 38.487 -0.038 0.000 1.043 48 N HN 0.251 nan 8.380 nan 0.000 0.516 49 I N 1.512 122.051 120.570 -0.051 0.000 2.588 49 I HA -0.024 4.146 4.170 0.000 0.000 0.283 49 I C 0.160 176.257 176.117 -0.033 0.000 1.119 49 I CA -0.218 61.054 61.300 -0.046 0.000 1.419 49 I CB 0.667 38.632 38.000 -0.058 0.000 1.394 49 I HN -0.014 nan 8.210 nan 0.000 0.562 50 Q N 5.744 125.530 119.800 -0.024 0.000 2.299 50 Q HA 0.451 4.791 4.340 0.000 0.000 0.246 50 Q C -0.067 175.929 176.000 -0.006 0.000 0.935 50 Q CA -0.799 54.997 55.803 -0.012 0.000 0.887 50 Q CB 1.143 29.878 28.738 -0.006 0.000 1.223 50 Q HN 0.777 nan 8.270 nan 0.000 0.439 51 A N 2.227 125.048 122.820 0.003 0.000 2.511 51 A HA 0.014 4.334 4.320 0.000 0.000 0.242 51 A C 0.279 177.878 177.584 0.024 0.000 1.069 51 A CA 0.213 52.258 52.037 0.014 0.000 0.763 51 A CB -0.094 18.918 19.000 0.020 0.000 1.001 51 A HN 0.972 nan 8.150 nan 0.000 0.498 52 E N -0.700 119.521 120.200 0.036 0.000 3.413 52 E HA -0.200 4.150 4.350 0.000 0.000 0.300 52 E C 0.185 176.813 176.600 0.047 0.000 0.891 52 E CA 1.199 57.633 56.400 0.056 0.000 1.050 52 E CB -1.338 28.396 29.700 0.057 0.000 1.534 52 E HN 0.930 nan 8.360 nan 0.000 0.436 53 E N 0.688 120.900 120.200 0.020 0.000 2.349 53 E HA 0.350 4.700 4.350 0.000 0.000 0.265 53 E C -0.444 176.149 176.600 -0.011 0.000 1.064 53 E CA -0.470 55.932 56.400 0.004 0.000 0.886 53 E CB 0.727 30.418 29.700 -0.016 0.000 1.036 53 E HN 0.068 nan 8.360 nan 0.000 0.413 54 L N 4.339 125.552 121.223 -0.017 0.000 2.350 54 L HA 0.285 4.625 4.340 0.000 0.000 0.275 54 L C -0.392 176.413 176.870 -0.108 0.000 1.099 54 L CA -0.145 54.660 54.840 -0.059 0.000 0.808 54 L CB 1.436 43.493 42.059 -0.004 0.000 1.149 54 L HN 0.475 nan 8.230 nan 0.000 0.442 55 V N 0.697 120.502 119.914 -0.180 0.000 3.181 55 V HA 0.718 4.838 4.120 0.000 0.000 0.314 55 V C -0.854 175.094 176.094 -0.242 0.000 1.173 55 V CA -0.768 61.391 62.300 -0.235 0.000 1.052 55 V CB 1.855 33.470 31.823 -0.346 0.000 1.123 55 V HN 0.824 nan 8.190 nan 0.000 0.454 56 E N 0.125 120.144 120.200 -0.302 0.000 2.263 56 E HA 0.548 4.898 4.350 0.000 0.000 0.268 56 E C -1.930 174.489 176.600 -0.301 0.000 0.884 56 E CA -0.639 55.648 56.400 -0.189 0.000 0.766 56 E CB 1.827 31.473 29.700 -0.091 0.000 1.196 56 E HN 0.610 nan 8.360 nan 0.000 0.416 57 F N 1.761 121.690 119.950 -0.034 0.000 2.377 57 F HA 0.205 4.732 4.527 0.000 0.000 0.328 57 F C 1.762 177.557 175.800 -0.008 0.000 1.094 57 F CA -0.339 57.649 58.000 -0.020 0.000 1.093 57 F CB 1.673 40.662 39.000 -0.020 0.000 1.214 57 F HN 0.502 nan 8.300 nan 0.000 0.518 58 S N 0.136 115.943 115.700 0.179 0.000 2.423 58 S HA -0.229 4.241 4.470 0.000 0.000 0.238 58 S C 1.940 176.593 174.600 0.089 0.000 1.028 58 S CA 1.755 60.014 58.200 0.099 0.000 1.000 58 S CB -0.487 62.765 63.200 0.086 0.000 0.797 58 S HN 0.730 nan 8.310 nan 0.000 0.487 59 S N -0.231 115.537 115.700 0.113 0.000 2.558 59 S HA 0.416 4.887 4.470 0.000 0.000 0.217 59 S C 1.484 176.130 174.600 0.076 0.000 0.975 59 S CA 0.602 58.847 58.200 0.076 0.000 0.912 59 S CB 0.231 63.465 63.200 0.057 0.000 0.776 59 S HN 0.792 nan 8.310 nan 0.000 0.526 60 G N 0.333 109.193 108.800 0.101 0.000 2.176 60 G HA2 -0.222 3.738 3.960 0.000 0.000 0.232 60 G HA3 -0.222 3.738 3.960 0.000 0.000 0.232 60 G C 0.075 175.040 174.900 0.107 0.000 0.986 60 G CA -0.033 45.119 45.100 0.087 0.000 0.643 60 G HN 0.811 nan 8.290 nan 0.000 0.522 61 V N 0.841 120.836 119.914 0.135 0.000 2.775 61 V HA 0.654 4.775 4.120 0.000 0.000 0.299 61 V C 0.643 176.867 176.094 0.217 0.000 1.062 61 V CA 0.066 62.450 62.300 0.140 0.000 1.063 61 V CB 1.264 33.128 31.823 0.067 0.000 0.994 61 V HN 0.335 nan 8.190 nan 0.000 0.483 62 K N 3.169 123.660 120.400 0.151 0.000 2.280 62 K HA 0.887 5.207 4.320 0.000 0.000 0.234 62 K C -0.238 176.205 176.600 -0.261 0.000 1.028 62 K CA -0.285 56.007 56.287 0.008 0.000 0.882 62 K CB 1.977 34.469 32.500 -0.013 0.000 1.194 62 K HN 0.974 nan 8.250 nan 0.000 0.458 63 G N 0.381 108.791 108.800 -0.650 0.000 2.466 63 G HA2 0.390 4.351 3.960 0.000 0.000 0.291 63 G HA3 0.390 4.351 3.960 0.000 0.000 0.291 63 G C -1.582 172.942 174.900 -0.626 0.000 1.460 63 G CA -0.969 43.603 45.100 -0.879 0.000 0.791 63 G HN 0.534 nan 8.290 nan 0.000 0.505 64 M N 0.060 119.458 119.600 -0.336 0.000 2.528 64 M HA 0.848 5.329 4.480 0.000 0.000 0.321 64 M C -0.099 176.207 176.300 0.011 0.000 1.153 64 M CA -1.046 54.213 55.300 -0.068 0.000 0.951 64 M CB 2.513 35.196 32.600 0.138 0.000 1.705 64 M HN 1.017 nan 8.290 nan 0.000 0.451 65 A N 3.843 126.666 122.820 0.005 0.000 2.376 65 A HA 0.509 4.829 4.320 0.000 0.000 0.298 65 A C 0.402 178.006 177.584 0.033 0.000 1.271 65 A CA -0.650 51.393 52.037 0.010 0.000 0.926 65 A CB -0.352 18.639 19.000 -0.015 0.000 1.141 65 A HN 1.047 nan 8.150 nan 0.000 0.539 66 L N 1.351 122.597 121.223 0.038 0.000 2.463 66 L HA 0.154 4.494 4.340 0.000 0.000 0.219 66 L C 0.089 176.974 176.870 0.025 0.000 1.088 66 L CA 0.235 55.100 54.840 0.041 0.000 0.849 66 L CB 0.073 42.152 42.059 0.033 0.000 1.012 66 L HN 0.558 nan 8.230 nan 0.000 0.468 67 N N 0.808 119.517 118.700 0.014 0.000 2.564 67 N HA 0.360 5.101 4.740 0.000 0.000 0.248 67 N C -1.039 174.472 175.510 0.001 0.000 0.986 67 N CA -0.090 52.965 53.050 0.008 0.000 0.921 67 N CB 1.184 39.673 38.487 0.004 0.000 1.136 67 N HN -0.005 nan 8.380 nan 0.000 0.509 68 L N 2.283 123.505 121.223 -0.001 0.000 2.268 68 L HA 0.382 4.723 4.340 0.000 0.000 0.289 68 L C 0.308 177.171 176.870 -0.012 0.000 1.064 68 L CA -0.196 54.637 54.840 -0.012 0.000 0.824 68 L CB 0.330 42.381 42.059 -0.013 0.000 1.202 68 L HN 0.350 nan 8.230 nan 0.000 0.433 69 E N 3.484 123.674 120.200 -0.016 0.000 2.281 69 E HA 0.357 4.708 4.350 0.000 0.000 0.262 69 E C -1.770 174.816 176.600 -0.024 0.000 0.933 69 E CA -1.802 54.591 56.400 -0.012 0.000 0.809 69 E CB 1.435 31.134 29.700 -0.002 0.000 1.242 69 E HN 0.234 nan 8.360 nan 0.000 0.418 70 P HA -0.220 nan 4.420 nan 0.000 0.214 70 P C 1.198 178.478 177.300 -0.034 0.000 1.172 70 P CA 1.660 64.747 63.100 -0.021 0.000 0.925 70 P CB -0.035 31.663 31.700 -0.003 0.000 0.793 71 G N -1.702 107.096 108.800 -0.003 0.000 2.511 71 G HA2 -0.017 3.943 3.960 0.000 0.000 0.217 71 G HA3 -0.017 3.943 3.960 0.000 0.000 0.217 71 G C 0.450 175.335 174.900 -0.026 0.000 1.133 71 G CA 0.408 45.524 45.100 0.026 0.000 0.792 71 G HN 0.524 nan 8.290 nan 0.000 0.539 72 Q N -1.975 117.802 119.800 -0.038 0.000 2.738 72 Q HA 0.599 4.939 4.340 0.000 0.000 0.301 72 Q C -2.062 173.919 176.000 -0.032 0.000 0.901 72 Q CA -1.016 54.775 55.803 -0.022 0.000 0.756 72 Q CB 1.834 30.611 28.738 0.064 0.000 1.463 72 Q HN -0.083 nan 8.270 nan 0.000 0.432 73 V N 0.478 120.382 119.914 -0.017 0.000 2.540 73 V HA 0.720 4.840 4.120 0.000 0.000 0.302 73 V C 0.153 176.258 176.094 0.018 0.000 1.035 73 V CA -0.308 61.985 62.300 -0.012 0.000 0.873 73 V CB 1.665 33.469 31.823 -0.031 0.000 0.992 73 V HN 0.849 nan 8.190 nan 0.000 0.428 74 G N 4.809 113.619 108.800 0.017 0.000 2.349 74 G HA2 0.633 4.593 3.960 0.000 0.000 0.281 74 G HA3 0.633 4.593 3.960 0.000 0.000 0.281 74 G C -0.662 174.259 174.900 0.036 0.000 1.182 74 G CA -0.213 44.903 45.100 0.027 0.000 0.899 74 G HN 0.596 nan 8.290 nan 0.000 0.455 75 I N 2.470 123.079 120.570 0.064 0.000 2.465 75 I HA 0.264 4.434 4.170 0.000 0.000 0.291 75 I C 0.065 176.231 176.117 0.083 0.000 1.014 75 I CA -1.179 60.172 61.300 0.085 0.000 1.093 75 I CB 2.360 40.457 38.000 0.161 0.000 1.267 75 I HN 0.362 nan 8.210 nan 0.000 0.431 76 V N 5.519 125.477 119.914 0.075 0.000 2.407 76 V HA 0.507 4.627 4.120 0.000 0.000 0.278 76 V C -0.097 176.062 176.094 0.110 0.000 1.037 76 V CA -0.683 61.671 62.300 0.090 0.000 0.900 76 V CB 1.115 33.005 31.823 0.111 0.000 0.983 76 V HN 0.511 nan 8.190 nan 0.000 0.459 77 L N 4.544 125.820 121.223 0.088 0.000 2.397 77 L HA 0.347 4.688 4.340 0.000 0.000 0.271 77 L C 0.880 177.927 176.870 0.295 0.000 1.148 77 L CA -0.363 54.520 54.840 0.073 0.000 0.825 77 L CB 0.612 42.646 42.059 -0.042 0.000 1.117 77 L HN 0.610 nan 8.230 nan 0.000 0.456 78 F N 0.764 120.757 119.950 0.072 0.000 2.743 78 F HA 0.217 4.744 4.527 0.000 0.000 0.297 78 F C 1.288 177.116 175.800 0.046 0.000 1.131 78 F CA -0.336 57.707 58.000 0.071 0.000 1.426 78 F CB -0.322 38.730 39.000 0.086 0.000 1.116 78 F HN 0.466 nan 8.300 nan 0.000 0.583 79 G N -1.128 107.790 108.800 0.198 0.000 3.015 79 G HA2 0.355 4.315 3.960 0.000 0.000 0.281 79 G HA3 0.355 4.315 3.960 0.000 0.000 0.281 79 G C -0.794 174.131 174.900 0.042 0.000 1.386 79 G CA -0.580 44.582 45.100 0.103 0.000 0.959 79 G HN -0.039 nan 8.290 nan 0.000 0.522 80 S N -0.559 115.154 115.700 0.022 0.000 2.558 80 S HA 0.049 4.519 4.470 0.000 0.000 0.291 80 S C 0.876 175.452 174.600 -0.041 0.000 1.306 80 S CA 0.657 58.855 58.200 -0.004 0.000 1.056 80 S CB 0.495 63.694 63.200 -0.001 0.000 0.836 80 S HN 0.589 nan 8.310 nan 0.000 0.504 81 D N 3.369 123.737 120.400 -0.053 0.000 2.336 81 D HA 0.012 4.653 4.640 0.000 0.000 0.228 81 D C 1.315 177.569 176.300 -0.077 0.000 1.120 81 D CA -0.110 53.833 54.000 -0.095 0.000 0.839 81 D CB -0.295 40.448 40.800 -0.096 0.000 0.932 81 D HN 0.665 nan 8.370 nan 0.000 0.509 82 R N 0.361 120.830 120.500 -0.050 0.000 2.235 82 R HA 0.073 4.413 4.340 0.000 0.000 0.213 82 R C 1.331 177.604 176.300 -0.044 0.000 1.059 82 R CA 0.460 56.537 56.100 -0.038 0.000 0.997 82 R CB -0.057 30.230 30.300 -0.021 0.000 0.884 82 R HN 0.208 nan 8.270 nan 0.000 0.462 83 L N 0.482 121.668 121.223 -0.061 0.000 2.592 83 L HA 0.175 4.516 4.340 0.000 0.000 0.227 83 L C -0.239 176.579 176.870 -0.086 0.000 1.127 83 L CA -0.216 54.591 54.840 -0.054 0.000 0.884 83 L CB 0.946 42.983 42.059 -0.037 0.000 1.065 83 L HN -0.107 nan 8.230 nan 0.000 0.457 84 V N -0.244 119.583 119.914 -0.145 0.000 2.581 84 V HA 0.403 4.524 4.120 0.000 0.000 0.303 84 V C -0.169 175.876 176.094 -0.083 0.000 1.041 84 V CA -0.852 61.343 62.300 -0.175 0.000 0.907 84 V CB 1.920 33.498 31.823 -0.409 0.000 0.994 84 V HN 0.094 nan 8.190 nan 0.000 0.442 85 K N 1.597 121.981 120.400 -0.026 0.000 2.435 85 K HA 0.438 4.758 4.320 0.000 0.000 0.251 85 K C -0.553 176.060 176.600 0.022 0.000 0.954 85 K CA -0.858 55.426 56.287 -0.005 0.000 0.820 85 K CB 2.718 35.220 32.500 0.004 0.000 1.292 85 K HN 0.811 nan 8.250 nan 0.000 0.436 86 E N 0.343 120.553 120.200 0.016 0.000 2.452 86 E HA -0.043 4.308 4.350 0.000 0.000 0.261 86 E C 0.537 177.156 176.600 0.031 0.000 0.987 86 E CA 1.506 57.922 56.400 0.027 0.000 0.926 86 E CB 0.234 29.942 29.700 0.013 0.000 0.934 86 E HN 0.776 nan 8.360 nan 0.000 0.452 87 G N 3.699 112.524 108.800 0.041 0.000 2.258 87 G HA2 -0.309 3.651 3.960 0.000 0.000 0.233 87 G HA3 -0.309 3.651 3.960 0.000 0.000 0.233 87 G C 0.318 175.249 174.900 0.052 0.000 1.006 87 G CA 0.258 45.379 45.100 0.034 0.000 0.620 87 G HN 0.638 nan 8.290 nan 0.000 0.511 88 E N 0.121 120.365 120.200 0.073 0.000 2.436 88 E HA 0.368 4.718 4.350 0.000 0.000 0.262 88 E C 0.247 176.903 176.600 0.093 0.000 1.063 88 E CA -0.332 56.124 56.400 0.093 0.000 0.944 88 E CB 0.444 30.227 29.700 0.138 0.000 0.950 88 E HN 0.420 nan 8.360 nan 0.000 0.444 89 L N 3.684 124.948 121.223 0.068 0.000 2.312 89 L HA 0.330 4.670 4.340 0.000 0.000 0.281 89 L C -1.272 175.585 176.870 -0.022 0.000 1.070 89 L CA -0.319 54.537 54.840 0.027 0.000 0.805 89 L CB 1.349 43.418 42.059 0.015 0.000 1.174 89 L HN 0.214 nan 8.230 nan 0.000 0.434 90 V N 4.469 124.327 119.914 -0.093 0.000 2.588 90 V HA 0.525 4.645 4.120 0.000 0.000 0.304 90 V C -0.424 175.549 176.094 -0.202 0.000 1.042 90 V CA -0.903 61.239 62.300 -0.264 0.000 0.877 90 V CB 1.709 33.273 31.823 -0.432 0.000 0.996 90 V HN 0.695 nan 8.190 nan 0.000 0.425 91 K N 3.302 123.571 120.400 -0.218 0.000 2.221 91 K HA 0.612 4.932 4.320 0.000 0.000 0.258 91 K C -0.262 176.244 176.600 -0.156 0.000 0.944 91 K CA -0.783 55.418 56.287 -0.144 0.000 0.823 91 K CB 2.130 34.570 32.500 -0.100 0.000 1.113 91 K HN 0.550 nan 8.250 nan 0.000 0.431 92 R N 0.437 120.869 120.500 -0.114 0.000 2.694 92 R HA -0.006 4.334 4.340 0.000 0.000 0.268 92 R C 1.133 177.388 176.300 -0.074 0.000 1.061 92 R CA 0.421 56.465 56.100 -0.095 0.000 1.133 92 R CB 0.414 30.672 30.300 -0.070 0.000 1.020 92 R HN 0.825 nan 8.270 nan 0.000 0.475 93 T N -2.220 112.296 114.554 -0.063 0.000 2.990 93 T HA 0.149 4.499 4.350 0.000 0.000 0.250 93 T C 1.294 175.979 174.700 -0.026 0.000 1.041 93 T CA 0.340 62.416 62.100 -0.040 0.000 1.010 93 T CB 0.509 69.358 68.868 -0.031 0.000 1.003 93 T HN 0.804 nan 8.240 nan 0.000 0.499 94 G N 2.233 111.016 108.800 -0.028 0.000 2.153 94 G HA2 -0.213 3.747 3.960 0.000 0.000 0.252 94 G HA3 -0.213 3.747 3.960 0.000 0.000 0.252 94 G C -0.340 174.555 174.900 -0.008 0.000 0.994 94 G CA 0.021 45.110 45.100 -0.018 0.000 0.698 94 G HN 0.669 nan 8.290 nan 0.000 0.521 95 N N 0.263 118.960 118.700 -0.004 0.000 2.354 95 N HA 0.477 5.217 4.740 0.000 0.000 0.287 95 N C 0.211 175.731 175.510 0.018 0.000 1.016 95 N CA -0.707 52.348 53.050 0.010 0.000 0.871 95 N CB 1.509 40.006 38.487 0.017 0.000 1.299 95 N HN 0.026 nan 8.380 nan 0.000 0.482 96 I N 1.501 122.083 120.570 0.021 0.000 2.692 96 I HA 0.037 4.207 4.170 0.000 0.000 0.284 96 I C 0.896 177.040 176.117 0.045 0.000 1.159 96 I CA -0.385 60.933 61.300 0.030 0.000 1.423 96 I CB 0.263 38.276 38.000 0.021 0.000 1.380 96 I HN 0.173 nan 8.210 nan 0.000 0.580 97 V N 6.185 126.140 119.914 0.068 0.000 2.584 97 V HA -0.021 4.099 4.120 0.000 0.000 0.303 97 V C 0.248 176.376 176.094 0.056 0.000 1.035 97 V CA 0.163 62.518 62.300 0.092 0.000 1.172 97 V CB -0.397 31.502 31.823 0.127 0.000 0.896 97 V HN 0.930 nan 8.190 nan 0.000 0.486 98 D N 3.412 123.846 120.400 0.057 0.000 2.652 98 D HA 0.712 5.352 4.640 0.000 0.000 0.285 98 D C -1.051 175.273 176.300 0.039 0.000 1.173 98 D CA -0.758 53.267 54.000 0.041 0.000 0.981 98 D CB 2.216 43.037 40.800 0.034 0.000 1.440 98 D HN 0.452 nan 8.370 nan 0.000 0.485 99 V N -0.376 119.556 119.914 0.030 0.000 3.012 99 V HA 0.561 4.682 4.120 0.000 0.000 0.307 99 V C -2.753 173.346 176.094 0.008 0.000 1.166 99 V CA -2.011 60.301 62.300 0.021 0.000 0.974 99 V CB 2.442 34.278 31.823 0.022 0.000 1.040 99 V HN 0.613 nan 8.190 nan 0.000 0.428 100 P HA 0.254 nan 4.420 nan 0.000 0.269 100 P C -0.837 176.429 177.300 -0.057 0.000 1.209 100 P CA 0.413 63.493 63.100 -0.034 0.000 0.776 100 P CB 1.079 32.753 31.700 -0.042 0.000 0.876 101 V N -1.949 117.902 119.914 -0.106 0.000 3.160 101 V HA 0.999 5.119 4.120 0.000 0.000 0.310 101 V C -0.117 175.695 176.094 -0.470 0.000 1.181 101 V CA -0.222 61.962 62.300 -0.193 0.000 1.047 101 V CB 1.345 33.133 31.823 -0.059 0.000 1.068 101 V HN 1.033 nan 8.190 nan 0.000 0.441 102 G N 1.312 109.573 108.800 -0.899 0.000 2.371 102 G HA2 0.150 4.111 3.960 0.000 0.000 0.663 102 G HA3 0.150 4.111 3.960 0.000 0.000 0.663 102 G C -2.489 171.707 174.900 -1.173 0.000 1.311 102 G CA -0.011 44.110 45.100 -1.631 0.000 0.985 102 G HN 0.782 nan 8.290 nan 0.000 0.566 103 P HA 0.025 nan 4.420 nan 0.000 0.221 103 P C 1.853 178.981 177.300 -0.286 0.000 1.150 103 P CA 1.722 64.472 63.100 -0.583 0.000 0.800 103 P CB -0.199 31.239 31.700 -0.437 0.000 0.787 104 G N -0.086 108.539 108.800 -0.292 0.000 2.653 104 G HA2 -0.136 3.824 3.960 0.000 0.000 0.212 104 G HA3 -0.136 3.824 3.960 0.000 0.000 0.212 104 G C 1.299 176.128 174.900 -0.119 0.000 1.138 104 G CA 0.095 45.097 45.100 -0.163 0.000 0.782 104 G HN 0.278 nan 8.290 nan 0.000 0.535 105 L N -0.332 120.812 121.223 -0.132 0.000 2.585 105 L HA 0.353 4.693 4.340 0.000 0.000 0.226 105 L C 0.723 177.591 176.870 -0.003 0.000 1.113 105 L CA -0.308 54.494 54.840 -0.064 0.000 0.876 105 L CB 0.167 42.184 42.059 -0.071 0.000 1.072 105 L HN 0.088 nan 8.230 nan 0.000 0.468 106 L N 0.233 121.465 121.223 0.014 0.000 2.410 106 L HA 0.206 4.546 4.340 0.000 0.000 0.273 106 L C 1.319 178.211 176.870 0.036 0.000 1.152 106 L CA 0.690 55.571 54.840 0.068 0.000 0.855 106 L CB 0.634 42.762 42.059 0.115 0.000 1.129 106 L HN 0.291 nan 8.230 nan 0.000 0.463 107 G N 1.787 110.602 108.800 0.026 0.000 2.159 107 G HA2 -0.208 3.752 3.960 0.000 0.000 0.256 107 G HA3 -0.208 3.752 3.960 0.000 0.000 0.256 107 G C 0.209 175.104 174.900 -0.008 0.000 0.977 107 G CA -0.425 44.672 45.100 -0.005 0.000 0.652 107 G HN 0.431 nan 8.290 nan 0.000 0.531 108 R N -0.453 120.048 120.500 0.001 0.000 2.668 108 R HA 0.695 5.035 4.340 0.000 0.000 0.279 108 R C -0.191 176.112 176.300 0.006 0.000 0.976 108 R CA -0.852 55.247 56.100 -0.001 0.000 0.978 108 R CB 1.685 31.982 30.300 -0.005 0.000 1.133 108 R HN 0.239 nan 8.270 nan 0.000 0.484 109 V N 2.851 122.768 119.914 0.005 0.000 2.334 109 V HA 0.346 4.467 4.120 0.000 0.000 0.281 109 V C 0.283 176.384 176.094 0.012 0.000 1.016 109 V CA -0.795 61.514 62.300 0.014 0.000 0.832 109 V CB 1.280 33.110 31.823 0.012 0.000 0.999 109 V HN 0.570 nan 8.190 nan 0.000 0.439 110 V N 1.304 121.228 119.914 0.016 0.000 2.994 110 V HA 0.808 4.928 4.120 0.000 0.000 0.318 110 V C -0.132 175.969 176.094 0.012 0.000 1.085 110 V CA -0.828 61.478 62.300 0.011 0.000 0.998 110 V CB 2.012 33.840 31.823 0.007 0.000 1.063 110 V HN 0.763 nan 8.190 nan 0.000 0.447 111 D N 1.728 122.132 120.400 0.005 0.000 2.469 111 D HA 0.462 5.102 4.640 0.000 0.000 0.278 111 D C 1.224 177.515 176.300 -0.015 0.000 1.231 111 D CA 0.028 54.026 54.000 -0.003 0.000 1.075 111 D CB 0.827 41.624 40.800 -0.006 0.000 1.121 111 D HN 0.767 nan 8.370 nan 0.000 0.571 112 A N -0.869 121.927 122.820 -0.039 0.000 2.019 112 A HA -0.030 4.290 4.320 0.000 0.000 0.219 112 A C 2.119 179.672 177.584 -0.051 0.000 1.164 112 A CA 0.949 52.953 52.037 -0.056 0.000 0.644 112 A CB -0.797 18.143 19.000 -0.100 0.000 0.805 112 A HN 0.506 nan 8.150 nan 0.000 0.449 113 L N -1.327 119.869 121.223 -0.046 0.000 2.653 113 L HA 0.308 4.648 4.340 0.000 0.000 0.231 113 L C 1.397 178.271 176.870 0.006 0.000 1.153 113 L CA 0.356 55.189 54.840 -0.013 0.000 0.933 113 L CB -0.174 41.892 42.059 0.010 0.000 1.175 113 L HN 0.490 nan 8.230 nan 0.000 0.473 114 G N 0.247 109.047 108.800 0.000 0.000 2.147 114 G HA2 -0.252 3.708 3.960 0.000 0.000 0.244 114 G HA3 -0.252 3.708 3.960 0.000 0.000 0.244 114 G C 0.002 174.904 174.900 0.003 0.000 1.005 114 G CA -0.271 44.830 45.100 0.002 0.000 0.713 114 G HN 0.423 nan 8.290 nan 0.000 0.515 115 N N 1.610 120.315 118.700 0.008 0.000 2.514 115 N HA 0.379 5.119 4.740 0.000 0.000 0.277 115 N C -2.492 173.022 175.510 0.007 0.000 1.126 115 N CA -1.017 52.039 53.050 0.011 0.000 0.978 115 N CB 1.487 39.985 38.487 0.019 0.000 1.106 115 N HN 0.190 nan 8.380 nan 0.000 0.461 116 P HA 0.145 nan 4.420 nan 0.000 0.276 116 P C 0.556 177.860 177.300 0.006 0.000 1.243 116 P CA -0.141 62.961 63.100 0.003 0.000 0.768 116 P CB 0.467 32.167 31.700 -0.001 0.000 0.856 117 I N 0.305 120.879 120.570 0.007 0.000 4.082 117 I HA 0.164 4.334 4.170 0.000 0.000 0.337 117 I C 0.515 176.636 176.117 0.006 0.000 1.352 117 I CA -0.051 61.254 61.300 0.009 0.000 1.097 117 I CB -0.130 37.878 38.000 0.012 0.000 1.048 117 I HN 0.037 nan 8.210 nan 0.000 0.393 118 D N 1.390 121.792 120.400 0.003 0.000 2.349 118 D HA 0.120 4.760 4.640 0.000 0.000 0.215 118 D C 1.647 177.946 176.300 -0.002 0.000 1.016 118 D CA 0.627 54.627 54.000 -0.000 0.000 0.870 118 D CB -0.077 40.721 40.800 -0.004 0.000 0.917 118 D HN 0.431 nan 8.370 nan 0.000 0.524 119 G N 0.739 109.539 108.800 -0.000 0.000 2.176 119 G HA2 -0.336 3.624 3.960 0.000 0.000 0.252 119 G HA3 -0.336 3.624 3.960 0.000 0.000 0.252 119 G C 0.553 175.451 174.900 -0.003 0.000 1.024 119 G CA 0.309 45.409 45.100 -0.001 0.000 0.755 119 G HN 0.455 nan 8.290 nan 0.000 0.507 120 K N 0.096 120.493 120.400 -0.004 0.000 2.498 120 K HA 0.468 4.788 4.320 0.000 0.000 0.207 120 K C 1.407 178.003 176.600 -0.006 0.000 1.033 120 K CA 0.190 56.473 56.287 -0.006 0.000 1.138 120 K CB 0.653 33.148 32.500 -0.008 0.000 0.860 120 K HN 1.430 nan 8.250 nan 0.000 0.490 121 G N 2.449 111.246 108.800 -0.005 0.000 2.681 121 G HA2 -0.220 3.740 3.960 0.000 0.000 0.220 121 G HA3 -0.220 3.740 3.960 0.000 0.000 0.220 121 G C -2.581 172.314 174.900 -0.007 0.000 1.353 121 G CA -1.234 43.863 45.100 -0.005 0.000 0.872 121 G HN 0.038 nan 8.290 nan 0.000 0.557 122 P HA 0.297 nan 4.420 nan 0.000 0.267 122 P C 0.220 177.509 177.300 -0.018 0.000 1.195 122 P CA -0.115 62.979 63.100 -0.011 0.000 0.773 122 P CB 0.288 31.981 31.700 -0.011 0.000 0.837 123 I N 2.447 123.004 120.570 -0.023 0.000 2.331 123 I HA 0.152 4.322 4.170 0.000 0.000 0.292 123 I C 0.273 176.361 176.117 -0.048 0.000 0.998 123 I CA -0.384 60.894 61.300 -0.037 0.000 1.267 123 I CB 0.658 38.635 38.000 -0.037 0.000 1.386 123 I HN 0.201 nan 8.210 nan 0.000 0.476 124 D N 5.743 126.105 120.400 -0.062 0.000 2.339 124 D HA 0.439 5.079 4.640 0.000 0.000 0.241 124 D C 0.096 176.330 176.300 -0.111 0.000 1.183 124 D CA 0.105 54.061 54.000 -0.073 0.000 0.859 124 D CB 1.256 42.015 40.800 -0.069 0.000 1.067 124 D HN 0.597 nan 8.370 nan 0.000 0.484 125 A N 2.077 124.836 122.820 -0.101 0.000 2.292 125 A HA 0.609 4.929 4.320 0.000 0.000 0.319 125 A C 1.170 178.678 177.584 -0.127 0.000 1.206 125 A CA -0.354 51.604 52.037 -0.132 0.000 0.835 125 A CB 1.334 20.280 19.000 -0.090 0.000 1.164 125 A HN 0.536 nan 8.150 nan 0.000 0.505 126 A N 2.442 125.145 122.820 -0.195 0.000 1.902 126 A HA 0.400 4.720 4.320 0.000 0.000 0.217 126 A C 1.296 178.869 177.584 -0.018 0.000 1.181 126 A CA 2.128 54.099 52.037 -0.110 0.000 0.623 126 A CB -0.427 18.488 19.000 -0.141 0.000 0.818 126 A HN 1.959 nan 8.150 nan 0.000 0.443 127 G N -2.153 106.635 108.800 -0.020 0.000 2.664 127 G HA2 0.558 4.519 3.960 0.000 0.000 0.303 127 G HA3 0.558 4.519 3.960 0.000 0.000 0.303 127 G C -1.131 173.769 174.900 0.001 0.000 1.243 127 G CA -0.857 44.251 45.100 0.013 0.000 0.826 127 G HN 0.288 nan 8.290 nan 0.000 0.498 128 R N -0.840 119.671 120.500 0.019 0.000 2.854 128 R HA 0.807 5.147 4.340 0.000 0.000 0.271 128 R C -1.263 175.058 176.300 0.034 0.000 0.994 128 R CA -0.672 55.439 56.100 0.018 0.000 0.945 128 R CB 2.314 32.622 30.300 0.013 0.000 1.194 128 R HN 0.465 nan 8.270 nan 0.000 0.476 129 S N 0.385 116.106 115.700 0.036 0.000 2.541 129 S HA 0.423 4.894 4.470 0.000 0.000 0.271 129 S C -0.841 173.782 174.600 0.039 0.000 1.133 129 S CA -0.844 57.382 58.200 0.043 0.000 0.876 129 S CB 2.219 65.455 63.200 0.061 0.000 1.105 129 S HN 0.396 nan 8.310 nan 0.000 0.470 130 R N 0.699 121.220 120.500 0.035 0.000 2.641 130 R HA 0.383 4.724 4.340 0.000 0.000 0.269 130 R C 1.421 177.742 176.300 0.035 0.000 1.074 130 R CA 0.149 56.267 56.100 0.030 0.000 1.133 130 R CB 0.257 30.569 30.300 0.020 0.000 1.029 130 R HN 0.791 nan 8.270 nan 0.000 0.488 131 A N 2.464 125.298 122.820 0.024 0.000 1.940 131 A HA -0.136 4.184 4.320 0.000 0.000 0.219 131 A C 0.390 177.984 177.584 0.017 0.000 1.176 131 A CA 1.364 53.417 52.037 0.028 0.000 0.631 131 A CB 0.048 19.035 19.000 -0.021 0.000 0.814 131 A HN 0.522 nan 8.150 nan 0.000 0.446 132 Q N 0.059 119.836 119.800 -0.038 0.000 2.372 132 Q HA 0.547 4.887 4.340 0.000 0.000 0.259 132 Q C -1.393 174.606 176.000 -0.001 0.000 0.993 132 Q CA -0.132 55.634 55.803 -0.061 0.000 0.854 132 Q CB 1.634 30.286 28.738 -0.144 0.000 1.231 132 Q HN 0.133 nan 8.270 nan 0.000 0.462 133 V N 2.684 122.618 119.914 0.033 0.000 2.638 133 V HA 0.312 4.433 4.120 0.000 0.000 0.306 133 V C 0.086 176.205 176.094 0.043 0.000 1.052 133 V CA -1.158 61.165 62.300 0.038 0.000 0.885 133 V CB 2.236 34.088 31.823 0.049 0.000 0.999 133 V HN 0.524 nan 8.190 nan 0.000 0.424 134 K N 2.812 123.235 120.400 0.038 0.000 2.484 134 K HA 0.330 4.650 4.320 0.000 0.000 0.280 134 K C 0.499 177.125 176.600 0.043 0.000 1.013 134 K CA 0.175 56.489 56.287 0.044 0.000 1.029 134 K CB 0.956 33.481 32.500 0.041 0.000 0.902 134 K HN 0.895 nan 8.250 nan 0.000 0.481 135 A N 5.628 128.476 122.820 0.047 0.000 2.448 135 A HA 0.219 4.539 4.320 0.000 0.000 0.239 135 A C -1.925 175.681 177.584 0.036 0.000 1.080 135 A CA -0.923 51.139 52.037 0.042 0.000 0.779 135 A CB -0.544 18.482 19.000 0.042 0.000 1.026 135 A HN 0.425 nan 8.150 nan 0.000 0.499 136 P HA 0.232 nan 4.420 nan 0.000 0.266 136 P C 0.709 178.025 177.300 0.027 0.000 1.195 136 P CA 0.589 63.704 63.100 0.025 0.000 0.768 136 P CB 0.507 32.221 31.700 0.023 0.000 0.838 137 G N 2.008 110.822 108.800 0.024 0.000 2.583 137 G HA2 0.043 4.004 3.960 0.000 0.000 0.275 137 G HA3 0.043 4.004 3.960 0.000 0.000 0.275 137 G C 1.116 176.031 174.900 0.024 0.000 1.342 137 G CA -0.527 44.588 45.100 0.025 0.000 1.030 137 G HN 0.392 nan 8.290 nan 0.000 0.520 138 I N -0.720 119.864 120.570 0.023 0.000 2.315 138 I HA -0.078 4.092 4.170 0.000 0.000 0.248 138 I C 2.630 178.757 176.117 0.018 0.000 1.117 138 I CA 0.921 62.234 61.300 0.021 0.000 1.404 138 I CB -0.856 37.156 38.000 0.020 0.000 1.071 138 I HN 0.270 nan 8.210 nan 0.000 0.419 139 L N 1.867 123.099 121.223 0.015 0.000 2.095 139 L HA 0.028 4.368 4.340 0.000 0.000 0.204 139 L C -0.824 176.053 176.870 0.011 0.000 1.080 139 L CA 1.571 56.418 54.840 0.012 0.000 0.759 139 L CB -1.378 40.687 42.059 0.010 0.000 0.914 139 L HN 0.110 nan 8.230 nan 0.000 0.439 140 P HA 0.090 nan 4.420 nan 0.000 0.243 140 P C -0.523 176.786 177.300 0.016 0.000 1.668 140 P CA 0.261 63.368 63.100 0.011 0.000 0.898 140 P CB -0.064 31.641 31.700 0.008 0.000 1.637 141 R N -0.071 120.441 120.500 0.019 0.000 2.912 141 R HA 0.667 5.007 4.340 0.000 0.000 0.262 141 R C -0.154 176.162 176.300 0.027 0.000 1.057 141 R CA -0.867 55.249 56.100 0.026 0.000 0.981 141 R CB 2.528 32.844 30.300 0.027 0.000 1.201 141 R HN -0.029 nan 8.270 nan 0.000 0.484 142 R N 0.277 120.801 120.500 0.040 0.000 2.673 142 R HA 0.328 4.669 4.340 0.000 0.000 0.281 142 R C -1.029 175.307 176.300 0.060 0.000 0.991 142 R CA -0.484 55.641 56.100 0.042 0.000 0.896 142 R CB 2.106 32.438 30.300 0.054 0.000 1.201 142 R HN 0.650 nan 8.270 nan 0.000 0.457 143 S N 1.733 117.459 115.700 0.043 0.000 2.563 143 S HA -0.006 4.465 4.470 0.000 0.000 0.294 143 S C 0.171 174.840 174.600 0.115 0.000 1.279 143 S CA -0.263 57.969 58.200 0.053 0.000 1.069 143 S CB 0.553 63.768 63.200 0.025 0.000 0.828 143 S HN 0.343 nan 8.310 nan 0.000 0.497 144 V N 5.650 125.613 119.914 0.083 0.000 2.599 144 V HA 0.050 4.170 4.120 0.000 0.000 0.300 144 V C 1.358 177.522 176.094 0.115 0.000 1.034 144 V CA 0.660 63.001 62.300 0.069 0.000 1.115 144 V CB 0.029 31.860 31.823 0.013 0.000 0.934 144 V HN 1.096 nan 8.190 nan 0.000 0.485 145 H N 1.836 120.879 119.070 -0.046 0.000 3.854 145 H HA 0.313 4.869 4.556 0.000 0.000 0.264 145 H C -0.062 175.223 175.328 -0.072 0.000 1.170 145 H CA -0.412 55.607 56.048 -0.049 0.000 1.167 145 H CB 0.678 30.418 29.762 -0.037 0.000 1.558 145 H HN 0.616 nan 8.280 nan 0.000 0.751 146 E N 3.282 123.186 120.200 -0.494 0.000 2.171 146 E HA 0.397 4.747 4.350 0.000 0.000 0.271 146 E C -2.869 173.554 176.600 -0.296 0.000 0.916 146 E CA -2.201 53.942 56.400 -0.428 0.000 0.774 146 E CB 2.206 31.566 29.700 -0.568 0.000 1.128 146 E HN 0.116 nan 8.360 nan 0.000 0.403 147 P HA -0.033 nan 4.420 nan 0.000 0.267 147 P C -0.754 176.375 177.300 -0.286 0.000 1.209 147 P CA -0.056 62.916 63.100 -0.213 0.000 0.763 147 P CB 0.503 32.100 31.700 -0.173 0.000 0.816 148 V N 5.715 125.495 119.914 -0.225 0.000 2.372 148 V HA 0.067 4.188 4.120 0.000 0.000 0.261 148 V C 0.670 176.666 176.094 -0.165 0.000 1.055 148 V CA 0.046 62.211 62.300 -0.225 0.000 0.930 148 V CB -0.093 31.638 31.823 -0.153 0.000 1.031 148 V HN 0.484 nan 8.190 nan 0.000 0.479 149 Q N 2.677 122.356 119.800 -0.201 0.000 2.344 149 Q HA 0.138 4.478 4.340 0.000 0.000 0.253 149 Q C 1.389 177.407 176.000 0.030 0.000 1.050 149 Q CA 0.089 55.861 55.803 -0.052 0.000 0.912 149 Q CB 1.039 29.798 28.738 0.036 0.000 1.258 149 Q HN 0.945 nan 8.270 nan 0.000 0.443 150 T N -0.982 113.587 114.554 0.025 0.000 3.023 150 T HA 0.050 4.401 4.350 0.000 0.000 0.266 150 T C 1.437 176.173 174.700 0.060 0.000 1.093 150 T CA 0.690 62.812 62.100 0.037 0.000 1.129 150 T CB 0.028 68.906 68.868 0.017 0.000 0.899 150 T HN 0.856 nan 8.240 nan 0.000 0.491 151 G N 1.233 110.075 108.800 0.070 0.000 2.205 151 G HA2 -0.210 3.750 3.960 0.000 0.000 0.261 151 G HA3 -0.210 3.750 3.960 0.000 0.000 0.261 151 G C 0.006 174.929 174.900 0.039 0.000 0.980 151 G CA 0.177 45.315 45.100 0.064 0.000 0.632 151 G HN 0.644 nan 8.290 nan 0.000 0.533 152 L N 0.909 122.149 121.223 0.029 0.000 2.283 152 L HA 0.327 4.667 4.340 0.000 0.000 0.287 152 L C 1.854 178.739 176.870 0.025 0.000 1.073 152 L CA -0.549 54.302 54.840 0.019 0.000 0.822 152 L CB 0.972 43.037 42.059 0.009 0.000 1.186 152 L HN 0.086 nan 8.230 nan 0.000 0.436 153 K N 2.574 122.990 120.400 0.028 0.000 2.077 153 K HA -0.300 4.020 4.320 0.000 0.000 0.213 153 K C 2.022 178.641 176.600 0.032 0.000 1.051 153 K CA 2.085 58.393 56.287 0.035 0.000 0.929 153 K CB -0.132 32.391 32.500 0.038 0.000 0.715 153 K HN 0.832 nan 8.250 nan 0.000 0.451 154 A N 0.646 123.481 122.820 0.025 0.000 1.877 154 A HA -0.132 4.188 4.320 0.000 0.000 0.216 154 A C 2.378 179.979 177.584 0.027 0.000 1.186 154 A CA 1.653 53.705 52.037 0.025 0.000 0.620 154 A CB -0.589 18.423 19.000 0.021 0.000 0.822 154 A HN 0.102 nan 8.150 nan 0.000 0.443 155 V N 0.469 120.397 119.914 0.024 0.000 2.283 155 V HA -0.198 3.923 4.120 0.000 0.000 0.243 155 V C 2.180 178.286 176.094 0.020 0.000 1.039 155 V CA 2.200 64.513 62.300 0.021 0.000 1.016 155 V CB -0.863 30.970 31.823 0.016 0.000 0.650 155 V HN 0.469 nan 8.190 nan 0.000 0.449 156 D N 0.498 120.911 120.400 0.022 0.000 2.149 156 D HA -0.126 4.514 4.640 0.000 0.000 0.198 156 D C 2.085 178.400 176.300 0.025 0.000 0.990 156 D CA 1.681 55.694 54.000 0.021 0.000 0.839 156 D CB -0.219 40.599 40.800 0.031 0.000 0.948 156 D HN 0.458 nan 8.370 nan 0.000 0.460 157 A N -0.551 122.288 122.820 0.032 0.000 1.975 157 A HA 0.091 4.411 4.320 0.000 0.000 0.215 157 A C 2.119 179.722 177.584 0.032 0.000 1.170 157 A CA 0.637 52.696 52.037 0.037 0.000 0.656 157 A CB -0.029 18.998 19.000 0.046 0.000 0.821 157 A HN 0.217 nan 8.150 nan 0.000 0.449 158 L N -1.744 119.496 121.223 0.029 0.000 2.766 158 L HA 0.196 4.536 4.340 0.000 0.000 0.241 158 L C -0.270 176.614 176.870 0.024 0.000 1.080 158 L CA 0.171 55.028 54.840 0.028 0.000 0.909 158 L CB 1.207 43.285 42.059 0.033 0.000 1.277 158 L HN 0.037 nan 8.230 nan 0.000 0.510 159 V N 1.524 121.451 119.914 0.023 0.000 2.468 159 V HA 0.255 4.375 4.120 0.000 0.000 0.256 159 V C -2.472 173.629 176.094 0.011 0.000 0.998 159 V CA -1.144 61.169 62.300 0.020 0.000 1.114 159 V CB 0.467 32.307 31.823 0.029 0.000 1.378 159 V HN -0.015 nan 8.190 nan 0.000 0.573 160 P HA 0.318 nan 4.420 nan 0.000 0.271 160 P C -0.422 176.868 177.300 -0.016 0.000 1.216 160 P CA 0.223 63.320 63.100 -0.005 0.000 0.771 160 P CB 1.408 33.105 31.700 -0.005 0.000 0.864 161 I N 2.202 122.754 120.570 -0.030 0.000 2.354 161 I HA 0.449 4.619 4.170 0.000 0.000 0.292 161 I C 1.151 177.226 176.117 -0.071 0.000 0.989 161 I CA -0.372 60.903 61.300 -0.042 0.000 1.188 161 I CB 1.742 39.718 38.000 -0.041 0.000 1.342 161 I HN 0.341 nan 8.210 nan 0.000 0.457 162 G N 5.177 113.935 108.800 -0.070 0.000 2.521 162 G HA2 0.538 4.498 3.960 0.000 0.000 0.323 162 G HA3 0.538 4.498 3.960 0.000 0.000 0.323 162 G C -0.478 174.354 174.900 -0.114 0.000 1.211 162 G CA -0.863 44.174 45.100 -0.104 0.000 0.979 162 G HN 0.530 nan 8.290 nan 0.000 0.490 163 R N -0.124 120.278 120.500 -0.162 0.000 2.248 163 R HA 0.453 4.794 4.340 0.000 0.000 0.328 163 R C 0.885 177.139 176.300 -0.077 0.000 1.067 163 R CA 0.639 56.649 56.100 -0.150 0.000 0.924 163 R CB 0.952 31.093 30.300 -0.265 0.000 1.013 163 R HN 1.037 nan 8.270 nan 0.000 0.454 164 G N 1.911 110.691 108.800 -0.033 0.000 2.211 164 G HA2 -0.261 3.700 3.960 0.000 0.000 0.201 164 G HA3 -0.261 3.700 3.960 0.000 0.000 0.201 164 G C 0.170 175.068 174.900 -0.003 0.000 0.997 164 G CA -0.329 44.770 45.100 -0.001 0.000 0.652 164 G HN 0.560 nan 8.290 nan 0.000 0.500 165 Q N 0.177 119.966 119.800 -0.019 0.000 2.368 165 Q HA 0.681 5.022 4.340 0.000 0.000 0.237 165 Q C -0.042 175.952 176.000 -0.010 0.000 0.987 165 Q CA -0.407 55.388 55.803 -0.014 0.000 0.896 165 Q CB 0.414 29.138 28.738 -0.023 0.000 1.241 165 Q HN 0.345 nan 8.270 nan 0.000 0.485 166 R N 2.170 122.666 120.500 -0.006 0.000 2.358 166 R HA 0.239 4.579 4.340 0.000 0.000 0.309 166 R C -1.503 174.791 176.300 -0.010 0.000 1.026 166 R CA -0.437 55.660 56.100 -0.006 0.000 0.909 166 R CB 1.356 31.651 30.300 -0.008 0.000 1.153 166 R HN 0.434 nan 8.270 nan 0.000 0.515 167 E N 2.977 123.170 120.200 -0.012 0.000 2.155 167 E HA 0.236 4.586 4.350 0.000 0.000 0.264 167 E C -1.391 175.201 176.600 -0.014 0.000 0.886 167 E CA -0.933 55.461 56.400 -0.009 0.000 0.752 167 E CB 1.034 30.728 29.700 -0.009 0.000 1.133 167 E HN 0.321 nan 8.360 nan 0.000 0.414 168 L N 5.599 126.813 121.223 -0.015 0.000 2.331 168 L HA 0.475 4.816 4.340 0.000 0.000 0.278 168 L C -0.958 175.894 176.870 -0.030 0.000 1.106 168 L CA 0.043 54.865 54.840 -0.030 0.000 0.824 168 L CB 0.559 42.597 42.059 -0.035 0.000 1.142 168 L HN 0.664 nan 8.230 nan 0.000 0.443 169 I N 6.799 127.342 120.570 -0.046 0.000 2.331 169 I HA 0.427 4.597 4.170 0.000 0.000 0.292 169 I C -0.280 175.773 176.117 -0.107 0.000 0.998 169 I CA -0.186 61.078 61.300 -0.059 0.000 1.267 169 I CB 1.303 39.277 38.000 -0.043 0.000 1.386 169 I HN 0.611 nan 8.210 nan 0.000 0.476 170 I N 5.277 125.739 120.570 -0.180 0.000 2.752 170 I HA 0.863 5.033 4.170 0.000 0.000 0.295 170 I C -0.559 175.249 176.117 -0.516 0.000 1.219 170 I CA 0.012 61.139 61.300 -0.289 0.000 1.030 170 I CB 2.072 39.918 38.000 -0.256 0.000 1.259 170 I HN 0.693 nan 8.210 nan 0.000 0.423 171 G N 4.786 113.325 108.800 -0.434 0.000 2.322 171 G HA2 0.215 4.176 3.960 0.000 0.000 0.295 171 G HA3 0.215 4.176 3.960 0.000 0.000 0.295 171 G C -2.056 172.711 174.900 -0.222 0.000 1.369 171 G CA -0.730 44.103 45.100 -0.445 0.000 0.821 171 G HN 0.515 nan 8.290 nan 0.000 0.536 172 D N 0.316 120.629 120.400 -0.146 0.000 2.377 172 D HA 0.416 5.056 4.640 0.000 0.000 0.245 172 D C 1.257 177.508 176.300 -0.081 0.000 1.196 172 D CA -0.218 53.737 54.000 -0.076 0.000 0.962 172 D CB 0.588 41.368 40.800 -0.033 0.000 1.127 172 D HN 0.705 nan 8.370 nan 0.000 0.471 173 R N -0.032 120.435 120.500 -0.054 0.000 2.802 173 R HA -0.044 4.297 4.340 0.000 0.000 0.264 173 R C -0.128 176.116 176.300 -0.095 0.000 0.996 173 R CA -0.015 56.051 56.100 -0.056 0.000 1.123 173 R CB -0.257 30.025 30.300 -0.030 0.000 0.996 173 R HN 0.353 nan 8.270 nan 0.000 0.444 174 Q N -0.972 118.768 119.800 -0.101 0.000 2.457 174 Q HA -0.208 4.133 4.340 0.000 0.000 0.283 174 Q C 0.086 175.893 176.000 -0.322 0.000 1.234 174 Q CA 1.450 57.155 55.803 -0.164 0.000 0.877 174 Q CB -1.491 27.166 28.738 -0.136 0.000 1.250 174 Q HN 0.963 nan 8.270 nan 0.000 0.481 175 T N -5.759 108.653 114.554 -0.236 0.000 3.044 175 T HA 0.474 4.824 4.350 0.000 0.000 0.260 175 T C 1.149 175.829 174.700 -0.034 0.000 1.019 175 T CA 0.402 62.356 62.100 -0.242 0.000 0.921 175 T CB 1.231 70.013 68.868 -0.142 0.000 1.053 175 T HN 0.843 nan 8.240 nan 0.000 0.533 176 G N 1.631 110.421 108.800 -0.017 0.000 2.148 176 G HA2 -0.190 3.771 3.960 0.000 0.000 0.157 176 G HA3 -0.190 3.771 3.960 0.000 0.000 0.157 176 G C 0.710 175.621 174.900 0.019 0.000 1.012 176 G CA 0.107 45.245 45.100 0.064 0.000 0.677 176 G HN 0.452 nan 8.290 nan 0.000 0.506 177 K N -0.223 120.171 120.400 -0.010 0.000 2.002 177 K HA -0.049 4.272 4.320 0.000 0.000 0.209 177 K C 2.514 179.121 176.600 0.012 0.000 1.048 177 K CA 1.847 58.124 56.287 -0.017 0.000 0.930 177 K CB -0.293 32.182 32.500 -0.042 0.000 0.714 177 K HN 0.279 nan 8.250 nan 0.000 0.438 178 T N 1.206 115.780 114.554 0.033 0.000 2.821 178 T HA -0.108 4.242 4.350 0.000 0.000 0.267 178 T C 1.991 176.722 174.700 0.052 0.000 1.046 178 T CA 1.216 63.364 62.100 0.081 0.000 1.139 178 T CB -0.257 68.678 68.868 0.112 0.000 0.871 178 T HN 0.332 nan 8.240 nan 0.000 0.454 179 A N 1.020 123.848 122.820 0.013 0.000 1.917 179 A HA -0.113 4.207 4.320 0.000 0.000 0.219 179 A C 2.567 180.127 177.584 -0.039 0.000 1.182 179 A CA 1.599 53.612 52.037 -0.040 0.000 0.633 179 A CB -1.110 17.851 19.000 -0.065 0.000 0.819 179 A HN 0.369 nan 8.150 nan 0.000 0.448 180 V N -0.447 119.459 119.914 -0.012 0.000 2.307 180 V HA -0.225 3.895 4.120 0.000 0.000 0.245 180 V C 3.058 179.156 176.094 0.007 0.000 1.045 180 V CA 1.969 64.264 62.300 -0.008 0.000 1.024 180 V CB -1.157 30.665 31.823 -0.001 0.000 0.651 180 V HN 0.643 nan 8.190 nan 0.000 0.449 181 A N -0.381 122.456 122.820 0.028 0.000 1.877 181 A HA -0.198 4.122 4.320 0.000 0.000 0.216 181 A C 2.165 179.779 177.584 0.051 0.000 1.186 181 A CA 2.068 54.136 52.037 0.051 0.000 0.620 181 A CB -0.621 18.436 19.000 0.096 0.000 0.822 181 A HN 0.442 nan 8.150 nan 0.000 0.443 182 L N 0.031 121.277 121.223 0.038 0.000 2.042 182 L HA -0.195 4.145 4.340 0.000 0.000 0.210 182 L C 1.692 178.569 176.870 0.011 0.000 1.076 182 L CA 2.515 57.358 54.840 0.005 0.000 0.749 182 L CB -0.536 41.521 42.059 -0.003 0.000 0.893 182 L HN 0.335 nan 8.230 nan 0.000 0.432 183 D N -1.329 119.068 120.400 -0.004 0.000 2.144 183 D HA -0.146 4.494 4.640 0.000 0.000 0.199 183 D C 2.092 178.409 176.300 0.028 0.000 0.984 183 D CA 1.607 55.605 54.000 -0.004 0.000 0.834 183 D CB -0.281 40.496 40.800 -0.039 0.000 0.955 183 D HN 0.370 nan 8.370 nan 0.000 0.465 184 T N 1.069 115.642 114.554 0.032 0.000 2.607 184 T HA -0.158 4.192 4.350 0.000 0.000 0.267 184 T C 2.209 176.956 174.700 0.078 0.000 1.049 184 T CA 0.895 63.023 62.100 0.047 0.000 1.162 184 T CB -0.442 68.443 68.868 0.028 0.000 0.863 184 T HN 0.147 nan 8.240 nan 0.000 0.424 185 I N 0.830 121.450 120.570 0.085 0.000 2.145 185 I HA -0.214 3.956 4.170 0.000 0.000 0.244 185 I C 2.394 178.641 176.117 0.217 0.000 1.075 185 I CA 1.372 62.761 61.300 0.150 0.000 1.332 185 I CB -0.499 37.556 38.000 0.091 0.000 1.033 185 I HN 0.201 nan 8.210 nan 0.000 0.410 186 L N 0.229 121.523 121.223 0.119 0.000 2.081 186 L HA -0.271 4.069 4.340 0.000 0.000 0.212 186 L C 2.253 179.212 176.870 0.149 0.000 1.080 186 L CA 1.638 56.548 54.840 0.117 0.000 0.754 186 L CB -0.728 41.338 42.059 0.012 0.000 0.893 186 L HN 0.354 nan 8.230 nan 0.000 0.433 187 N N -0.554 118.217 118.700 0.119 0.000 2.381 187 N HA -0.172 4.568 4.740 0.000 0.000 0.182 187 N C 1.742 177.343 175.510 0.151 0.000 1.025 187 N CA 0.687 53.806 53.050 0.114 0.000 0.888 187 N CB 0.104 38.671 38.487 0.134 0.000 0.965 187 N HN 0.192 nan 8.380 nan 0.000 0.438 188 Q N 0.380 120.263 119.800 0.139 0.000 2.500 188 Q HA -0.036 4.304 4.340 0.000 0.000 0.213 188 Q C 1.461 177.363 176.000 -0.162 0.000 0.974 188 Q CA 0.515 56.354 55.803 0.060 0.000 0.918 188 Q CB -0.113 28.515 28.738 -0.184 0.000 0.980 188 Q HN 0.457 nan 8.270 nan 0.000 0.505 189 K N 0.644 120.973 120.400 -0.118 0.000 2.113 189 K HA -0.151 4.169 4.320 0.000 0.000 0.208 189 K C 1.944 178.410 176.600 -0.224 0.000 1.047 189 K CA 1.069 57.287 56.287 -0.114 0.000 0.928 189 K CB 0.023 32.550 32.500 0.044 0.000 0.716 189 K HN 0.209 nan 8.250 nan 0.000 0.446 190 R N -0.470 119.786 120.500 -0.407 0.000 2.119 190 R HA -0.190 4.151 4.340 0.000 0.000 0.246 190 R C 1.936 177.806 176.300 -0.718 0.000 1.146 190 R CA 1.713 57.340 56.100 -0.789 0.000 0.962 190 R CB -0.234 29.078 30.300 -1.646 0.000 0.863 190 R HN 0.457 nan 8.270 nan 0.000 0.442 191 W N -0.413 120.786 121.300 -0.168 0.000 2.842 191 W HA 0.179 4.839 4.660 0.000 0.000 0.267 191 W C 1.259 177.653 176.519 -0.209 0.000 1.219 191 W CA -0.526 56.718 57.345 -0.168 0.000 1.458 191 W CB -0.323 29.032 29.460 -0.176 0.000 1.006 191 W HN 0.078 nan 8.180 nan 0.000 0.603 192 N N 1.031 119.665 118.700 -0.110 0.000 2.457 192 N HA -0.094 4.646 4.740 0.000 0.000 0.180 192 N C 0.931 176.388 175.510 -0.087 0.000 1.050 192 N CA 0.818 53.730 53.050 -0.230 0.000 0.906 192 N CB -0.461 37.660 38.487 -0.611 0.000 0.968 192 N HN 0.114 nan 8.380 nan 0.000 0.445 193 N N 0.100 118.758 118.700 -0.070 0.000 2.398 193 N HA 0.054 4.794 4.740 0.000 0.000 0.188 193 N C 0.940 176.437 175.510 -0.022 0.000 1.122 193 N CA 0.079 53.113 53.050 -0.027 0.000 0.866 193 N CB 0.368 38.831 38.487 -0.039 0.000 0.970 193 N HN 0.130 nan 8.380 nan 0.000 0.462 194 G N -0.395 108.395 108.800 -0.018 0.000 2.543 194 G HA2 0.314 4.274 3.960 0.000 0.000 0.290 194 G HA3 0.314 4.274 3.960 0.000 0.000 0.290 194 G C 0.563 175.483 174.900 0.033 0.000 1.310 194 G CA -0.322 44.782 45.100 0.007 0.000 1.025 194 G HN 0.141 nan 8.290 nan 0.000 0.502 195 S N -1.150 114.574 115.700 0.041 0.000 2.499 195 S HA 0.077 4.547 4.470 0.000 0.000 0.225 195 S C 0.657 175.296 174.600 0.065 0.000 1.050 195 S CA -0.089 58.142 58.200 0.052 0.000 0.928 195 S CB 0.189 63.414 63.200 0.041 0.000 0.803 195 S HN 0.579 nan 8.310 nan 0.000 0.506 196 D N 2.863 123.302 120.400 0.065 0.000 2.359 196 D HA 0.038 4.678 4.640 0.000 0.000 0.273 196 D C 0.876 177.227 176.300 0.084 0.000 1.362 196 D CA 0.203 54.247 54.000 0.073 0.000 1.010 196 D CB 0.345 41.191 40.800 0.076 0.000 1.090 196 D HN 0.112 nan 8.370 nan 0.000 0.521 197 E N 1.374 121.633 120.200 0.098 0.000 2.153 197 E HA -0.154 4.196 4.350 0.000 0.000 0.194 197 E C 1.744 178.425 176.600 0.135 0.000 0.988 197 E CA 0.711 57.191 56.400 0.134 0.000 0.811 197 E CB -0.010 29.780 29.700 0.151 0.000 0.746 197 E HN 0.556 nan 8.360 nan 0.000 0.466 198 S N 0.163 115.931 115.700 0.113 0.000 2.555 198 S HA -0.015 4.455 4.470 0.000 0.000 0.230 198 S C 1.491 176.156 174.600 0.108 0.000 0.978 198 S CA 0.540 58.830 58.200 0.148 0.000 0.934 198 S CB 0.055 63.323 63.200 0.113 0.000 0.766 198 S HN 0.124 nan 8.310 nan 0.000 0.533 199 K N 0.325 120.747 120.400 0.035 0.000 2.360 199 K HA 0.243 4.563 4.320 0.000 0.000 0.196 199 K C 0.161 176.672 176.600 -0.148 0.000 1.049 199 K CA -0.048 56.181 56.287 -0.096 0.000 1.049 199 K CB 0.328 32.820 32.500 -0.013 0.000 0.881 199 K HN 0.300 nan 8.250 nan 0.000 0.542 200 K N 1.448 121.807 120.400 -0.068 0.000 2.258 200 K HA 0.147 4.467 4.320 0.000 0.000 0.264 200 K C -0.635 175.789 176.600 -0.295 0.000 1.007 200 K CA -0.203 55.949 56.287 -0.225 0.000 0.941 200 K CB 0.552 32.834 32.500 -0.363 0.000 0.966 200 K HN -0.144 nan 8.250 nan 0.000 0.480 201 L N 4.095 125.066 121.223 -0.421 0.000 2.427 201 L HA 0.296 4.637 4.340 0.000 0.000 0.264 201 L C -1.566 175.072 176.870 -0.386 0.000 0.989 201 L CA -0.376 54.276 54.840 -0.314 0.000 0.865 201 L CB 0.402 42.321 42.059 -0.235 0.000 1.209 201 L HN 0.452 nan 8.230 nan 0.000 0.430 202 Y N 2.821 122.994 120.300 -0.212 0.000 2.379 202 Y HA 0.385 4.935 4.550 0.000 0.000 0.337 202 Y C 0.628 176.413 175.900 -0.191 0.000 1.238 202 Y CA 0.082 58.010 58.100 -0.287 0.000 1.405 202 Y CB 0.710 38.666 38.460 -0.841 0.000 1.310 202 Y HN 0.491 nan 8.280 nan 0.000 0.569 203 C N 2.345 121.705 119.300 0.100 0.000 2.408 203 C HA 0.699 5.159 4.460 0.000 0.000 0.321 203 C C -0.643 174.384 174.990 0.061 0.000 1.245 203 C CA -1.129 57.939 59.018 0.083 0.000 1.523 203 C CB 0.753 28.592 27.740 0.165 0.000 2.178 203 C HN 0.541 nan 8.230 nan 0.000 0.488 204 V N 3.481 123.414 119.914 0.031 0.000 2.443 204 V HA 0.331 4.451 4.120 0.000 0.000 0.293 204 V C -1.019 175.088 176.094 0.022 0.000 1.021 204 V CA -0.561 61.758 62.300 0.031 0.000 0.848 204 V CB 1.126 32.950 31.823 0.002 0.000 0.998 204 V HN 0.811 nan 8.190 nan 0.000 0.424 205 Y N 4.952 125.211 120.300 -0.068 0.000 2.331 205 Y HA 0.666 5.216 4.550 0.000 0.000 0.338 205 Y C -0.318 175.546 175.900 -0.061 0.000 0.992 205 Y CA -0.691 57.363 58.100 -0.077 0.000 1.121 205 Y CB 1.817 40.248 38.460 -0.049 0.000 1.184 205 Y HN 0.410 nan 8.280 nan 0.000 0.469 206 V N 6.489 126.120 119.914 -0.471 0.000 2.275 206 V HA 0.526 4.646 4.120 0.000 0.000 0.272 206 V C 0.056 175.909 176.094 -0.401 0.000 1.028 206 V CA -0.770 61.356 62.300 -0.290 0.000 0.810 206 V CB 0.532 32.262 31.823 -0.155 0.000 1.043 206 V HN 0.941 nan 8.190 nan 0.000 0.453 207 A N 5.038 127.725 122.820 -0.223 0.000 2.415 207 A HA 0.604 4.924 4.320 0.000 0.000 0.309 207 A C -0.127 177.429 177.584 -0.046 0.000 1.356 207 A CA -0.224 51.743 52.037 -0.117 0.000 0.998 207 A CB 0.161 19.232 19.000 0.118 0.000 1.145 207 A HN 0.651 nan 8.150 nan 0.000 0.545 208 V N 3.088 122.969 119.914 -0.055 0.000 2.304 208 V HA 0.556 4.677 4.120 0.000 0.000 0.269 208 V C 1.282 177.385 176.094 0.014 0.000 1.036 208 V CA 0.753 63.047 62.300 -0.010 0.000 0.840 208 V CB 0.193 32.013 31.823 -0.006 0.000 1.036 208 V HN 1.620 nan 8.190 nan 0.000 0.466 209 G N 3.712 112.528 108.800 0.028 0.000 2.176 209 G HA2 -0.217 3.743 3.960 0.000 0.000 0.253 209 G HA3 -0.217 3.743 3.960 0.000 0.000 0.253 209 G C 0.244 175.166 174.900 0.037 0.000 0.979 209 G CA 0.149 45.271 45.100 0.036 0.000 0.641 209 G HN 0.619 nan 8.290 nan 0.000 0.530 210 Q N 0.473 120.297 119.800 0.040 0.000 2.584 210 Q HA 0.367 4.708 4.340 0.000 0.000 0.235 210 Q C 0.751 176.779 176.000 0.046 0.000 1.079 210 Q CA 0.547 56.380 55.803 0.050 0.000 0.977 210 Q CB 0.413 29.197 28.738 0.076 0.000 1.293 210 Q HN 0.701 nan 8.270 nan 0.000 0.553 211 K N 0.227 120.653 120.400 0.044 0.000 2.118 211 K HA 0.244 4.564 4.320 0.000 0.000 0.264 211 K C 0.489 177.112 176.600 0.038 0.000 1.000 211 K CA -0.634 55.675 56.287 0.037 0.000 0.929 211 K CB 1.298 33.816 32.500 0.031 0.000 1.021 211 K HN 0.409 nan 8.250 nan 0.000 0.463 212 R N 0.745 121.264 120.500 0.032 0.000 2.094 212 R HA -0.218 4.122 4.340 0.000 0.000 0.239 212 R C 2.459 178.775 176.300 0.027 0.000 1.137 212 R CA 2.580 58.698 56.100 0.030 0.000 0.943 212 R CB -0.546 29.768 30.300 0.024 0.000 0.850 212 R HN 0.981 nan 8.270 nan 0.000 0.433 213 S N -0.374 115.340 115.700 0.023 0.000 2.387 213 S HA -0.196 4.275 4.470 0.000 0.000 0.230 213 S C 1.967 176.580 174.600 0.022 0.000 1.035 213 S CA 1.971 60.183 58.200 0.019 0.000 1.014 213 S CB -0.684 62.527 63.200 0.018 0.000 0.836 213 S HN 0.273 nan 8.310 nan 0.000 0.466 214 T N 2.039 116.612 114.554 0.031 0.000 2.708 214 T HA -0.020 4.330 4.350 0.000 0.000 0.266 214 T C 1.902 176.624 174.700 0.037 0.000 1.037 214 T CA 1.488 63.610 62.100 0.037 0.000 1.146 214 T CB -0.588 68.309 68.868 0.050 0.000 0.865 214 T HN 0.319 nan 8.240 nan 0.000 0.435 215 V N 1.654 121.597 119.914 0.048 0.000 2.343 215 V HA -0.161 3.959 4.120 0.000 0.000 0.247 215 V C 2.858 178.959 176.094 0.012 0.000 1.051 215 V CA 1.675 64.005 62.300 0.051 0.000 1.036 215 V CB -1.205 30.663 31.823 0.074 0.000 0.654 215 V HN 0.520 nan 8.190 nan 0.000 0.451 216 A N -0.392 122.434 122.820 0.010 0.000 1.877 216 A HA -0.315 4.005 4.320 0.000 0.000 0.216 216 A C 2.190 179.764 177.584 -0.015 0.000 1.186 216 A CA 2.230 54.265 52.037 -0.003 0.000 0.620 216 A CB -0.621 18.380 19.000 0.002 0.000 0.822 216 A HN 0.525 nan 8.150 nan 0.000 0.443 217 Q N -0.343 119.452 119.800 -0.008 0.000 2.077 217 Q HA -0.177 4.163 4.340 0.000 0.000 0.206 217 Q C 1.884 177.864 176.000 -0.034 0.000 0.989 217 Q CA 2.076 57.871 55.803 -0.013 0.000 0.853 217 Q CB -0.612 28.128 28.738 0.005 0.000 0.907 217 Q HN 0.593 nan 8.270 nan 0.000 0.418 218 L N -0.899 120.295 121.223 -0.049 0.000 2.017 218 L HA -0.146 4.194 4.340 0.000 0.000 0.208 218 L C 2.154 178.949 176.870 -0.124 0.000 1.073 218 L CA 1.348 56.123 54.840 -0.108 0.000 0.745 218 L CB -0.444 41.501 42.059 -0.191 0.000 0.894 218 L HN 0.146 nan 8.230 nan 0.000 0.432 219 V N -0.495 119.361 119.914 -0.097 0.000 2.343 219 V HA -0.334 3.786 4.120 0.000 0.000 0.247 219 V C 2.559 178.609 176.094 -0.075 0.000 1.051 219 V CA 1.989 64.237 62.300 -0.087 0.000 1.036 219 V CB -0.627 31.163 31.823 -0.055 0.000 0.654 219 V HN 0.548 nan 8.190 nan 0.000 0.451 220 Q N -0.512 119.253 119.800 -0.059 0.000 2.152 220 Q HA -0.225 4.116 4.340 0.000 0.000 0.206 220 Q C 2.329 178.292 176.000 -0.060 0.000 0.985 220 Q CA 2.243 58.013 55.803 -0.054 0.000 0.863 220 Q CB -0.322 28.389 28.738 -0.044 0.000 0.904 220 Q HN 0.682 nan 8.270 nan 0.000 0.422 221 T N 1.260 115.772 114.554 -0.069 0.000 2.770 221 T HA -0.061 4.289 4.350 0.000 0.000 0.263 221 T C 1.946 176.636 174.700 -0.016 0.000 1.039 221 T CA 0.658 62.718 62.100 -0.067 0.000 1.142 221 T CB -0.149 68.647 68.868 -0.120 0.000 0.868 221 T HN 0.191 nan 8.240 nan 0.000 0.435 222 L N 0.601 121.778 121.223 -0.076 0.000 2.083 222 L HA -0.117 4.224 4.340 0.000 0.000 0.209 222 L C 2.708 179.535 176.870 -0.072 0.000 1.083 222 L CA 1.431 56.215 54.840 -0.094 0.000 0.752 222 L CB -0.515 41.449 42.059 -0.159 0.000 0.899 222 L HN 0.310 nan 8.230 nan 0.000 0.433 223 E N -0.367 119.791 120.200 -0.070 0.000 2.051 223 E HA -0.251 4.099 4.350 0.000 0.000 0.192 223 E C 2.275 178.839 176.600 -0.059 0.000 0.991 223 E CA 1.032 57.393 56.400 -0.066 0.000 0.799 223 E CB -0.008 29.655 29.700 -0.061 0.000 0.748 223 E HN 0.425 nan 8.360 nan 0.000 0.449 224 Q N -0.456 119.308 119.800 -0.060 0.000 2.226 224 Q HA -0.154 4.187 4.340 0.000 0.000 0.204 224 Q C 0.689 176.543 176.000 -0.244 0.000 0.975 224 Q CA 1.107 56.827 55.803 -0.138 0.000 0.866 224 Q CB 0.058 28.700 28.738 -0.161 0.000 0.915 224 Q HN 0.454 nan 8.270 nan 0.000 0.440 225 H N -1.010 118.000 119.070 -0.101 0.000 2.486 225 H HA 0.079 4.635 4.556 0.000 0.000 0.284 225 H C -0.552 174.745 175.328 -0.051 0.000 1.103 225 H CA -0.046 55.961 56.048 -0.070 0.000 1.089 225 H CB 0.437 30.159 29.762 -0.066 0.000 1.603 225 H HN 0.137 nan 8.280 nan 0.000 0.557 226 D N -0.077 120.328 120.400 0.009 0.000 2.882 226 D HA -0.248 4.392 4.640 0.000 0.000 0.229 226 D C 1.048 177.318 176.300 -0.049 0.000 1.167 226 D CA 0.854 54.848 54.000 -0.010 0.000 0.759 226 D CB -0.811 39.999 40.800 0.017 0.000 1.088 226 D HN 0.559 nan 8.370 nan 0.000 0.425 227 A N -0.936 121.791 122.820 -0.156 0.000 2.267 227 A HA 0.135 4.456 4.320 0.000 0.000 0.213 227 A C 2.001 179.164 177.584 -0.702 0.000 1.192 227 A CA 0.328 52.031 52.037 -0.558 0.000 0.851 227 A CB -0.033 18.749 19.000 -0.363 0.000 0.881 227 A HN 0.300 nan 8.150 nan 0.000 0.494 228 M N 1.165 120.564 119.600 -0.334 0.000 2.202 228 M HA -0.175 4.305 4.480 0.000 0.000 0.262 228 M C 2.063 178.239 176.300 -0.207 0.000 1.063 228 M CA 1.973 57.131 55.300 -0.236 0.000 1.097 228 M CB -0.846 31.678 32.600 -0.127 0.000 1.382 228 M HN 0.708 nan 8.290 nan 0.000 0.413 229 K N -0.098 120.194 120.400 -0.180 0.000 2.209 229 K HA -0.180 4.140 4.320 0.000 0.000 0.204 229 K C 1.110 177.761 176.600 0.085 0.000 1.048 229 K CA 1.731 58.004 56.287 -0.023 0.000 0.940 229 K CB -0.688 31.841 32.500 0.049 0.000 0.729 229 K HN 0.502 nan 8.250 nan 0.000 0.451 230 Y N -0.889 119.453 120.300 0.072 0.000 2.584 230 Y HA 0.507 5.058 4.550 0.000 0.000 0.254 230 Y C -0.252 175.704 175.900 0.093 0.000 1.177 230 Y CA -1.131 57.038 58.100 0.116 0.000 1.216 230 Y CB 0.257 38.741 38.460 0.040 0.000 1.172 230 Y HN -0.140 nan 8.280 nan 0.000 0.529 231 S N 1.162 116.841 115.700 -0.035 0.000 2.593 231 S HA 0.711 5.181 4.470 0.000 0.000 0.297 231 S C -0.667 173.953 174.600 0.035 0.000 1.112 231 S CA -0.614 57.581 58.200 -0.009 0.000 1.043 231 S CB 1.630 64.751 63.200 -0.130 0.000 1.054 231 S HN 0.244 nan 8.310 nan 0.000 0.516 232 I N 2.371 122.977 120.570 0.061 0.000 2.466 232 I HA 0.400 4.570 4.170 0.000 0.000 0.289 232 I C -1.097 175.063 176.117 0.071 0.000 1.026 232 I CA -0.537 60.801 61.300 0.064 0.000 1.078 232 I CB 1.514 39.571 38.000 0.094 0.000 1.249 232 I HN 0.345 nan 8.210 nan 0.000 0.429 233 I N 7.019 127.627 120.570 0.062 0.000 2.355 233 I HA 0.339 4.509 4.170 0.000 0.000 0.288 233 I C -0.196 175.967 176.117 0.077 0.000 0.999 233 I CA -0.699 60.661 61.300 0.101 0.000 1.163 233 I CB 1.592 39.643 38.000 0.085 0.000 1.316 233 I HN 0.132 nan 8.210 nan 0.000 0.454 234 V N 5.980 125.938 119.914 0.074 0.000 2.347 234 V HA 0.641 4.761 4.120 0.000 0.000 0.280 234 V C 0.423 176.539 176.094 0.036 0.000 1.021 234 V CA -0.585 61.737 62.300 0.037 0.000 0.847 234 V CB 1.448 33.281 31.823 0.016 0.000 0.990 234 V HN 0.845 nan 8.190 nan 0.000 0.444 235 A N 4.433 127.273 122.820 0.033 0.000 2.431 235 A HA 0.796 5.116 4.320 0.000 0.000 0.318 235 A C 0.197 177.792 177.584 0.018 0.000 1.330 235 A CA -0.287 51.772 52.037 0.037 0.000 0.804 235 A CB 0.867 19.898 19.000 0.052 0.000 1.135 235 A HN 1.146 nan 8.150 nan 0.000 0.483 236 A N 3.305 126.131 122.820 0.011 0.000 2.838 236 A HA 0.576 4.896 4.320 0.000 0.000 0.337 236 A C 0.862 178.458 177.584 0.020 0.000 1.383 236 A CA 0.050 52.091 52.037 0.006 0.000 0.985 236 A CB -0.819 18.179 19.000 -0.003 0.000 1.157 236 A HN 0.986 nan 8.150 nan 0.000 0.497 237 T N -0.963 113.605 114.554 0.025 0.000 2.652 237 T HA 0.414 4.765 4.350 0.000 0.000 0.319 237 T C 1.663 176.382 174.700 0.032 0.000 1.029 237 T CA 0.045 62.164 62.100 0.031 0.000 0.990 237 T CB 0.498 69.385 68.868 0.032 0.000 1.098 237 T HN 0.839 nan 8.240 nan 0.000 0.520 238 A N 0.688 123.528 122.820 0.033 0.000 1.933 238 A HA -0.033 4.288 4.320 0.000 0.000 0.218 238 A C 2.427 180.030 177.584 0.032 0.000 1.175 238 A CA 1.851 53.909 52.037 0.034 0.000 0.628 238 A CB -1.224 17.795 19.000 0.032 0.000 0.814 238 A HN 1.074 nan 8.150 nan 0.000 0.444 239 S N -0.339 115.378 115.700 0.029 0.000 2.634 239 S HA 0.161 4.631 4.470 0.000 0.000 0.221 239 S C 0.133 174.751 174.600 0.029 0.000 0.952 239 S CA -0.418 57.798 58.200 0.027 0.000 0.930 239 S CB -0.215 62.999 63.200 0.024 0.000 0.780 239 S HN 0.574 nan 8.310 nan 0.000 0.498 240 E N 1.613 121.830 120.200 0.030 0.000 2.313 240 E HA 0.553 4.903 4.350 0.000 0.000 0.272 240 E C 0.054 176.677 176.600 0.039 0.000 1.038 240 E CA -0.534 55.884 56.400 0.029 0.000 0.863 240 E CB 1.276 30.986 29.700 0.017 0.000 1.060 240 E HN 0.453 nan 8.360 nan 0.000 0.402 241 A N 1.997 124.845 122.820 0.048 0.000 2.587 241 A HA 0.092 4.413 4.320 0.000 0.000 0.233 241 A C 1.385 179.014 177.584 0.075 0.000 1.049 241 A CA 0.763 52.843 52.037 0.070 0.000 0.754 241 A CB 0.153 19.221 19.000 0.113 0.000 0.977 241 A HN 0.844 nan 8.150 nan 0.000 0.509 242 A N 3.877 126.749 122.820 0.086 0.000 1.903 242 A HA -0.127 4.194 4.320 0.000 0.000 0.219 242 A C -0.081 177.602 177.584 0.165 0.000 1.191 242 A CA 2.230 54.330 52.037 0.105 0.000 0.638 242 A CB -1.670 17.376 19.000 0.077 0.000 0.823 242 A HN 0.672 nan 8.150 nan 0.000 0.451 243 P HA -0.050 nan 4.420 nan 0.000 0.223 243 P C 1.316 178.727 177.300 0.184 0.000 1.151 243 P CA 0.650 63.946 63.100 0.326 0.000 0.787 243 P CB -0.161 31.770 31.700 0.385 0.000 0.788 244 L N -0.659 120.547 121.223 -0.029 0.000 2.093 244 L HA -0.170 4.171 4.340 0.000 0.000 0.208 244 L C 2.608 179.466 176.870 -0.019 0.000 1.085 244 L CA 1.435 56.188 54.840 -0.145 0.000 0.755 244 L CB -1.067 40.891 42.059 -0.168 0.000 0.904 244 L HN 0.011 nan 8.230 nan 0.000 0.435 245 Q N -0.769 119.069 119.800 0.064 0.000 2.172 245 Q HA -0.217 4.124 4.340 0.000 0.000 0.200 245 Q C 2.085 178.172 176.000 0.146 0.000 0.964 245 Q CA 1.633 57.488 55.803 0.088 0.000 0.855 245 Q CB -0.219 28.582 28.738 0.105 0.000 0.918 245 Q HN 0.627 nan 8.270 nan 0.000 0.444 246 Y N 0.277 120.638 120.300 0.101 0.000 2.420 246 Y HA 0.025 4.575 4.550 0.000 0.000 0.292 246 Y C 1.632 177.661 175.900 0.215 0.000 1.119 246 Y CA 0.584 58.789 58.100 0.176 0.000 1.229 246 Y CB -0.094 38.517 38.460 0.253 0.000 1.026 246 Y HN -0.068 nan 8.280 nan 0.000 0.554 247 L N 0.181 121.243 121.223 -0.269 0.000 2.179 247 L HA -0.006 4.334 4.340 0.000 0.000 0.208 247 L C 2.821 179.644 176.870 -0.079 0.000 1.096 247 L CA 0.819 55.479 54.840 -0.301 0.000 0.779 247 L CB -0.749 41.182 42.059 -0.214 0.000 0.922 247 L HN 0.389 nan 8.230 nan 0.000 0.443 248 A N 1.003 123.789 122.820 -0.057 0.000 1.892 248 A HA -0.166 4.154 4.320 0.000 0.000 0.218 248 A C -0.152 177.421 177.584 -0.018 0.000 1.188 248 A CA 1.870 53.889 52.037 -0.030 0.000 0.631 248 A CB -1.804 17.184 19.000 -0.020 0.000 0.822 248 A HN 0.266 nan 8.150 nan 0.000 0.447 249 P HA -0.088 nan 4.420 nan 0.000 0.217 249 P C 0.970 178.157 177.300 -0.187 0.000 1.150 249 P CA 0.939 63.970 63.100 -0.114 0.000 0.832 249 P CB -0.151 31.281 31.700 -0.445 0.000 0.787 250 F N -1.073 118.808 119.950 -0.115 0.000 2.163 250 F HA -0.109 4.418 4.527 0.000 0.000 0.297 250 F C 2.460 178.233 175.800 -0.045 0.000 1.094 250 F CA 1.408 59.343 58.000 -0.108 0.000 1.290 250 F CB -1.662 37.218 39.000 -0.199 0.000 1.017 250 F HN -0.129 nan 8.300 nan 0.000 0.483 251 T N -0.164 114.462 114.554 0.120 0.000 2.674 251 T HA -0.204 4.146 4.350 0.000 0.000 0.265 251 T C 2.281 177.023 174.700 0.070 0.000 1.039 251 T CA 1.489 63.632 62.100 0.071 0.000 1.150 251 T CB -0.593 68.293 68.868 0.028 0.000 0.864 251 T HN 0.277 nan 8.240 nan 0.000 0.427 252 A N 1.111 123.969 122.820 0.063 0.000 1.978 252 A HA 0.105 4.425 4.320 0.000 0.000 0.220 252 A C 2.577 180.210 177.584 0.083 0.000 1.170 252 A CA 1.946 54.018 52.037 0.058 0.000 0.636 252 A CB -0.984 18.033 19.000 0.030 0.000 0.810 252 A HN 0.533 nan 8.150 nan 0.000 0.448 253 A N -0.448 122.439 122.820 0.111 0.000 1.902 253 A HA -0.067 4.253 4.320 0.000 0.000 0.217 253 A C 2.437 180.094 177.584 0.121 0.000 1.181 253 A CA 2.039 54.150 52.037 0.124 0.000 0.623 253 A CB -0.859 18.215 19.000 0.124 0.000 0.818 253 A HN 0.468 nan 8.150 nan 0.000 0.443 254 S N -0.030 115.738 115.700 0.113 0.000 2.382 254 S HA -0.113 4.357 4.470 0.000 0.000 0.228 254 S C 1.789 176.467 174.600 0.129 0.000 1.027 254 S CA 1.440 59.706 58.200 0.109 0.000 0.991 254 S CB -0.514 62.739 63.200 0.089 0.000 0.823 254 S HN 0.543 nan 8.310 nan 0.000 0.469 255 I N 1.488 122.130 120.570 0.120 0.000 2.208 255 I HA -0.165 4.005 4.170 0.000 0.000 0.245 255 I C 2.678 178.958 176.117 0.271 0.000 1.097 255 I CA 1.328 62.709 61.300 0.135 0.000 1.363 255 I CB -0.801 37.260 38.000 0.101 0.000 1.051 255 I HN 0.387 nan 8.210 nan 0.000 0.413 256 G N -0.192 108.771 108.800 0.272 0.000 2.448 256 G HA2 -0.172 3.788 3.960 0.000 0.000 0.218 256 G HA3 -0.172 3.788 3.960 0.000 0.000 0.218 256 G C 1.511 176.641 174.900 0.383 0.000 1.135 256 G CA 0.231 45.559 45.100 0.379 0.000 0.784 256 G HN 0.389 nan 8.290 nan 0.000 0.543 257 E N -0.771 119.571 120.200 0.236 0.000 2.274 257 E HA -0.097 4.254 4.350 0.000 0.000 0.194 257 E C 1.853 178.523 176.600 0.117 0.000 0.996 257 E CA 0.133 56.626 56.400 0.155 0.000 0.840 257 E CB -0.147 29.615 29.700 0.104 0.000 0.772 257 E HN 0.675 nan 8.360 nan 0.000 0.491 258 W N 0.330 121.593 121.300 -0.060 0.000 2.342 258 W HA -0.224 4.436 4.660 0.000 0.000 0.297 258 W C 1.286 177.638 176.519 -0.279 0.000 1.213 258 W CA 1.478 58.683 57.345 -0.233 0.000 1.251 258 W CB -0.210 28.995 29.460 -0.424 0.000 1.136 258 W HN -0.005 nan 8.180 nan 0.000 0.526 259 F N 0.176 120.228 119.950 0.169 0.000 2.084 259 F HA -0.074 4.453 4.527 0.000 0.000 0.296 259 F C 2.772 178.453 175.800 -0.198 0.000 1.111 259 F CA 2.089 60.084 58.000 -0.010 0.000 1.224 259 F CB -1.396 37.700 39.000 0.160 0.000 0.991 259 F HN -0.255 nan 8.300 nan 0.000 0.471 260 R N 0.669 121.224 120.500 0.092 0.000 2.103 260 R HA -0.197 4.143 4.340 0.000 0.000 0.242 260 R C 1.438 177.668 176.300 -0.118 0.000 1.142 260 R CA 2.137 58.231 56.100 -0.011 0.000 0.960 260 R CB -0.512 29.816 30.300 0.047 0.000 0.858 260 R HN 0.199 nan 8.270 nan 0.000 0.439 261 D N 0.024 120.313 120.400 -0.185 0.000 2.312 261 D HA -0.051 4.589 4.640 0.000 0.000 0.211 261 D C 0.258 176.356 176.300 -0.337 0.000 0.964 261 D CA 0.800 54.659 54.000 -0.235 0.000 0.877 261 D CB -0.025 40.633 40.800 -0.236 0.000 0.924 261 D HN 0.260 nan 8.370 nan 0.000 0.515 262 N N -0.107 118.301 118.700 -0.487 0.000 2.467 262 N HA 0.185 4.926 4.740 0.000 0.000 0.278 262 N C 0.680 175.996 175.510 -0.323 0.000 1.306 262 N CA 0.059 52.810 53.050 -0.498 0.000 0.905 262 N CB 1.320 39.267 38.487 -0.899 0.000 1.236 262 N HN 0.029 nan 8.380 nan 0.000 0.509 263 G N 1.265 109.920 108.800 -0.242 0.000 2.203 263 G HA2 -0.330 3.631 3.960 0.000 0.000 0.263 263 G HA3 -0.330 3.631 3.960 0.000 0.000 0.263 263 G C 0.215 174.947 174.900 -0.280 0.000 1.012 263 G CA 0.826 45.804 45.100 -0.203 0.000 0.749 263 G HN 0.374 nan 8.290 nan 0.000 0.512 264 K N -0.883 119.346 120.400 -0.286 0.000 2.380 264 K HA 0.740 5.060 4.320 0.000 0.000 0.243 264 K C -0.354 175.944 176.600 -0.504 0.000 1.071 264 K CA -1.010 55.126 56.287 -0.251 0.000 0.942 264 K CB 1.054 33.681 32.500 0.210 0.000 1.324 264 K HN 0.299 nan 8.250 nan 0.000 0.517 265 H N -0.570 118.624 119.070 0.205 0.000 2.840 265 H HA 0.448 5.004 4.556 0.000 0.000 0.340 265 H C -1.201 174.167 175.328 0.067 0.000 1.004 265 H CA -0.773 55.328 56.048 0.089 0.000 1.288 265 H CB 1.870 31.618 29.762 -0.023 0.000 1.607 265 H HN 0.696 nan 8.280 nan 0.000 0.522 266 A N 3.009 125.917 122.820 0.145 0.000 2.340 266 A HA 0.562 4.882 4.320 0.000 0.000 0.331 266 A C -0.956 176.634 177.584 0.011 0.000 1.140 266 A CA -0.681 51.373 52.037 0.028 0.000 0.801 266 A CB 1.471 20.516 19.000 0.075 0.000 1.234 266 A HN 0.449 nan 8.150 nan 0.000 0.469 267 L N 2.242 123.448 121.223 -0.029 0.000 2.333 267 L HA 0.746 5.086 4.340 0.000 0.000 0.280 267 L C -0.926 175.900 176.870 -0.073 0.000 1.004 267 L CA -0.408 54.405 54.840 -0.045 0.000 0.820 267 L CB 1.182 43.218 42.059 -0.040 0.000 1.247 267 L HN 0.657 nan 8.230 nan 0.000 0.416 268 I N 5.291 125.775 120.570 -0.144 0.000 2.436 268 I HA 0.544 4.714 4.170 0.000 0.000 0.289 268 I C -1.327 174.524 176.117 -0.444 0.000 1.010 268 I CA -0.657 60.460 61.300 -0.304 0.000 1.098 268 I CB 1.796 39.559 38.000 -0.395 0.000 1.266 268 I HN 0.381 nan 8.210 nan 0.000 0.434 269 V N 8.238 127.898 119.914 -0.423 0.000 2.350 269 V HA 0.295 4.415 4.120 0.000 0.000 0.285 269 V C -1.088 174.700 176.094 -0.511 0.000 1.014 269 V CA -0.441 61.641 62.300 -0.363 0.000 0.831 269 V CB 1.029 32.788 31.823 -0.107 0.000 1.000 269 V HN 0.481 nan 8.190 nan 0.000 0.433 270 Y N 2.416 122.576 120.300 -0.232 0.000 2.595 270 Y HA 0.417 4.968 4.550 0.000 0.000 0.347 270 Y C 0.449 176.182 175.900 -0.279 0.000 1.025 270 Y CA -0.833 57.102 58.100 -0.274 0.000 1.295 270 Y CB 0.428 38.733 38.460 -0.257 0.000 1.147 270 Y HN 0.508 nan 8.280 nan 0.000 0.515 271 D N 4.326 124.569 120.400 -0.262 0.000 2.505 271 D HA 0.145 4.785 4.640 0.000 0.000 0.242 271 D C -1.023 175.198 176.300 -0.131 0.000 1.136 271 D CA -0.245 53.623 54.000 -0.220 0.000 0.954 271 D CB 0.093 40.672 40.800 -0.367 0.000 1.002 271 D HN 0.689 nan 8.370 nan 0.000 0.512 272 D N 1.098 121.458 120.400 -0.067 0.000 2.602 272 D HA 0.084 4.724 4.640 0.000 0.000 0.236 272 D C 0.778 177.045 176.300 -0.055 0.000 1.209 272 D CA -0.627 53.337 54.000 -0.060 0.000 0.831 272 D CB 1.078 41.849 40.800 -0.048 0.000 1.478 272 D HN 0.083 nan 8.370 nan 0.000 0.438 273 L N 0.525 121.683 121.223 -0.109 0.000 2.622 273 L HA -0.062 4.278 4.340 0.000 0.000 0.233 273 L C 2.058 178.926 176.870 -0.004 0.000 1.156 273 L CA 0.419 55.166 54.840 -0.155 0.000 0.866 273 L CB -0.324 41.441 42.059 -0.490 0.000 0.980 273 L HN 0.338 nan 8.230 nan 0.000 0.448 274 S N 0.222 115.925 115.700 0.005 0.000 2.345 274 S HA -0.126 4.344 4.470 0.000 0.000 0.219 274 S C 1.910 176.574 174.600 0.107 0.000 1.031 274 S CA 1.129 59.366 58.200 0.062 0.000 0.984 274 S CB 0.028 63.252 63.200 0.041 0.000 0.874 274 S HN 0.390 nan 8.310 nan 0.000 0.451 275 K N 1.104 121.551 120.400 0.077 0.000 2.209 275 K HA -0.096 4.224 4.320 0.000 0.000 0.204 275 K C 2.386 179.060 176.600 0.123 0.000 1.048 275 K CA 0.823 57.164 56.287 0.091 0.000 0.940 275 K CB -0.119 32.416 32.500 0.058 0.000 0.729 275 K HN 0.368 nan 8.250 nan 0.000 0.451 276 Q N 0.768 120.642 119.800 0.124 0.000 2.046 276 Q HA -0.137 4.203 4.340 0.000 0.000 0.200 276 Q C 2.143 178.291 176.000 0.248 0.000 0.975 276 Q CA 1.380 57.287 55.803 0.173 0.000 0.836 276 Q CB -0.094 28.725 28.738 0.135 0.000 0.896 276 Q HN 0.307 nan 8.270 nan 0.000 0.428 277 A N 0.318 123.285 122.820 0.244 0.000 1.892 277 A HA -0.190 4.130 4.320 0.000 0.000 0.218 277 A C 2.259 180.079 177.584 0.392 0.000 1.188 277 A CA 1.812 53.996 52.037 0.244 0.000 0.631 277 A CB -1.016 18.063 19.000 0.132 0.000 0.822 277 A HN 0.320 nan 8.150 nan 0.000 0.447 278 V N -0.361 119.747 119.914 0.322 0.000 2.332 278 V HA -0.280 3.840 4.120 0.000 0.000 0.248 278 V C 3.057 179.257 176.094 0.177 0.000 1.055 278 V CA 2.107 64.555 62.300 0.247 0.000 1.038 278 V CB -1.159 30.765 31.823 0.169 0.000 0.651 278 V HN 0.667 nan 8.190 nan 0.000 0.450 279 A N -1.043 121.891 122.820 0.189 0.000 1.858 279 A HA -0.290 4.030 4.320 0.000 0.000 0.216 279 A C 2.163 179.844 177.584 0.162 0.000 1.190 279 A CA 2.165 54.302 52.037 0.168 0.000 0.617 279 A CB -0.911 18.213 19.000 0.206 0.000 0.827 279 A HN 0.617 nan 8.150 nan 0.000 0.443 280 Y N 0.489 120.854 120.300 0.109 0.000 2.193 280 Y HA -0.247 4.303 4.550 0.000 0.000 0.285 280 Y C 2.527 178.432 175.900 0.008 0.000 1.166 280 Y CA 2.195 60.297 58.100 0.004 0.000 1.181 280 Y CB -0.334 38.167 38.460 0.069 0.000 0.976 280 Y HN 0.344 nan 8.280 nan 0.000 0.520 281 R N 0.135 120.680 120.500 0.075 0.000 2.075 281 R HA -0.228 4.113 4.340 0.000 0.000 0.232 281 R C 2.458 178.676 176.300 -0.137 0.000 1.126 281 R CA 1.729 57.801 56.100 -0.047 0.000 0.963 281 R CB -0.380 29.889 30.300 -0.052 0.000 0.858 281 R HN 0.563 nan 8.270 nan 0.000 0.435 282 Q N 0.651 120.403 119.800 -0.080 0.000 2.045 282 Q HA -0.211 4.129 4.340 0.000 0.000 0.206 282 Q C 2.163 178.092 176.000 -0.118 0.000 0.991 282 Q CA 2.216 57.973 55.803 -0.077 0.000 0.851 282 Q CB -0.212 28.511 28.738 -0.025 0.000 0.911 282 Q HN 0.447 nan 8.270 nan 0.000 0.418 283 L N 0.170 121.294 121.223 -0.164 0.000 2.042 283 L HA -0.205 4.135 4.340 0.000 0.000 0.210 283 L C 2.667 179.395 176.870 -0.237 0.000 1.076 283 L CA 1.349 56.071 54.840 -0.197 0.000 0.749 283 L CB -0.593 41.303 42.059 -0.272 0.000 0.893 283 L HN 0.166 nan 8.230 nan 0.000 0.432 284 S N -0.014 115.477 115.700 -0.349 0.000 2.368 284 S HA -0.065 4.405 4.470 0.000 0.000 0.224 284 S C 1.999 176.502 174.600 -0.163 0.000 1.029 284 S CA 1.136 59.159 58.200 -0.294 0.000 0.988 284 S CB -0.253 62.732 63.200 -0.359 0.000 0.838 284 S HN 0.284 nan 8.310 nan 0.000 0.462 285 L N 0.938 122.075 121.223 -0.144 0.000 2.093 285 L HA -0.045 4.295 4.340 0.000 0.000 0.208 285 L C 2.090 178.912 176.870 -0.079 0.000 1.085 285 L CA 0.925 55.705 54.840 -0.100 0.000 0.755 285 L CB -0.510 41.490 42.059 -0.098 0.000 0.904 285 L HN 0.302 nan 8.230 nan 0.000 0.435 286 L N -0.650 120.523 121.223 -0.083 0.000 2.131 286 L HA -0.138 4.202 4.340 0.000 0.000 0.206 286 L C 2.133 178.971 176.870 -0.053 0.000 1.087 286 L CA 0.793 55.597 54.840 -0.059 0.000 0.767 286 L CB -0.285 41.743 42.059 -0.052 0.000 0.917 286 L HN 0.258 nan 8.230 nan 0.000 0.441 287 L N -0.219 120.963 121.223 -0.068 0.000 2.610 287 L HA 0.012 4.352 4.340 0.000 0.000 0.232 287 L C 0.508 177.351 176.870 -0.044 0.000 1.149 287 L CA 0.159 54.967 54.840 -0.053 0.000 0.872 287 L CB -0.402 41.618 42.059 -0.065 0.000 0.992 287 L HN 0.252 nan 8.230 nan 0.000 0.447 288 R N 0.529 121.001 120.500 -0.048 0.000 3.336 288 R HA -0.158 4.182 4.340 0.000 0.000 0.260 288 R C -0.220 176.061 176.300 -0.033 0.000 1.032 288 R CA 0.381 56.459 56.100 -0.037 0.000 0.693 288 R CB -1.556 28.729 30.300 -0.025 0.000 1.134 288 R HN 0.400 nan 8.270 nan 0.000 0.433 289 R N 0.809 121.283 120.500 -0.044 0.000 2.459 289 R HA 0.235 4.575 4.340 0.000 0.000 0.281 289 R C -2.065 174.222 176.300 -0.022 0.000 1.050 289 R CA -1.951 54.132 56.100 -0.030 0.000 1.055 289 R CB 0.402 30.678 30.300 -0.040 0.000 1.045 289 R HN -0.116 nan 8.270 nan 0.000 0.495 290 P HA -0.016 nan 4.420 nan 0.000 0.258 290 P C -2.276 175.023 177.300 -0.001 0.000 1.172 290 P CA -0.480 62.618 63.100 -0.004 0.000 0.762 290 P CB -0.023 31.681 31.700 0.006 0.000 0.764 291 P HA 0.375 nan 4.420 nan 0.000 0.282 291 P C -0.018 177.273 177.300 -0.014 0.000 1.259 291 P CA -0.175 62.915 63.100 -0.016 0.000 0.826 291 P CB 1.813 33.488 31.700 -0.041 0.000 1.064 292 G N 0.791 109.584 108.800 -0.012 0.000 3.264 292 G HA2 0.398 4.358 3.960 0.000 0.000 0.168 292 G HA3 0.398 4.358 3.960 0.000 0.000 0.168 292 G C -0.631 174.217 174.900 -0.086 0.000 1.145 292 G CA -0.885 44.186 45.100 -0.049 0.000 0.855 292 G HN 0.557 nan 8.290 nan 0.000 0.629 293 R N 0.623 121.007 120.500 -0.193 0.000 2.523 293 R HA 0.099 4.439 4.340 0.000 0.000 0.281 293 R C 0.230 176.501 176.300 -0.049 0.000 0.969 293 R CA 1.296 57.268 56.100 -0.213 0.000 1.093 293 R CB -0.396 29.599 30.300 -0.508 0.000 0.917 293 R HN 0.688 nan 8.270 nan 0.000 0.408 294 E N 2.818 123.022 120.200 0.006 0.000 2.660 294 E HA -0.343 4.008 4.350 0.000 0.000 0.260 294 E C 0.297 176.789 176.600 -0.181 0.000 1.122 294 E CA 0.517 56.931 56.400 0.024 0.000 0.755 294 E CB -1.368 28.491 29.700 0.264 0.000 1.345 294 E HN 0.896 nan 8.360 nan 0.000 0.421 295 A N -2.136 120.605 122.820 -0.132 0.000 2.945 295 A HA -0.303 4.018 4.320 0.000 0.000 0.263 295 A C 0.017 177.489 177.584 -0.187 0.000 1.293 295 A CA 1.742 53.681 52.037 -0.163 0.000 0.944 295 A CB -2.095 16.794 19.000 -0.184 0.000 1.093 295 A HN 0.430 nan 8.150 nan 0.000 0.786 296 Y N 0.609 120.931 120.300 0.036 0.000 2.346 296 Y HA 0.416 4.966 4.550 0.000 0.000 0.330 296 Y C -1.274 174.680 175.900 0.090 0.000 1.178 296 Y CA -1.310 56.857 58.100 0.112 0.000 1.331 296 Y CB 0.245 38.868 38.460 0.272 0.000 1.253 296 Y HN 0.237 nan 8.280 nan 0.000 0.529 297 P HA -0.031 nan 4.420 nan 0.000 0.269 297 P C 0.631 178.087 177.300 0.261 0.000 1.217 297 P CA 0.202 63.426 63.100 0.206 0.000 0.783 297 P CB 0.742 32.568 31.700 0.210 0.000 0.898 298 G N 1.143 110.056 108.800 0.188 0.000 2.708 298 G HA2 -0.158 3.802 3.960 0.000 0.000 0.210 298 G HA3 -0.158 3.802 3.960 0.000 0.000 0.210 298 G C 0.394 175.429 174.900 0.226 0.000 1.141 298 G CA 0.259 45.467 45.100 0.180 0.000 0.788 298 G HN 0.600 nan 8.290 nan 0.000 0.531 299 D N -0.736 119.835 120.400 0.285 0.000 2.538 299 D HA 0.098 4.738 4.640 0.000 0.000 0.231 299 D C 1.402 177.884 176.300 0.303 0.000 1.229 299 D CA -0.523 53.673 54.000 0.327 0.000 0.828 299 D CB 0.173 41.188 40.800 0.358 0.000 1.035 299 D HN 0.021 nan 8.370 nan 0.000 0.495 300 V N -0.465 119.625 119.914 0.293 0.000 3.129 300 V HA 0.049 4.169 4.120 0.000 0.000 0.259 300 V C 1.393 177.460 176.094 -0.046 0.000 1.116 300 V CA 0.766 63.137 62.300 0.119 0.000 1.127 300 V CB -0.630 31.327 31.823 0.224 0.000 0.742 300 V HN 0.244 nan 8.190 nan 0.000 0.474 301 F N -0.112 119.828 119.950 -0.018 0.000 2.234 301 F HA -0.093 4.434 4.527 0.000 0.000 0.296 301 F C 2.031 177.862 175.800 0.051 0.000 1.089 301 F CA 1.924 59.902 58.000 -0.036 0.000 1.343 301 F CB -0.347 38.665 39.000 0.019 0.000 1.040 301 F HN 0.356 nan 8.300 nan 0.000 0.498 302 Y N 0.391 120.737 120.300 0.077 0.000 2.439 302 Y HA -0.066 4.484 4.550 0.000 0.000 0.292 302 Y C 1.918 177.784 175.900 -0.057 0.000 1.130 302 Y CA 1.125 59.240 58.100 0.026 0.000 1.254 302 Y CB -0.626 37.899 38.460 0.109 0.000 1.000 302 Y HN 0.200 nan 8.280 nan 0.000 0.554 303 L N -0.301 120.797 121.223 -0.208 0.000 2.017 303 L HA -0.228 4.112 4.340 0.000 0.000 0.208 303 L C 2.180 178.974 176.870 -0.126 0.000 1.073 303 L CA 2.249 56.931 54.840 -0.263 0.000 0.745 303 L CB -0.688 41.084 42.059 -0.478 0.000 0.894 303 L HN 0.321 nan 8.230 nan 0.000 0.432 304 H N -2.074 116.819 119.070 -0.295 0.000 2.497 304 H HA -0.011 4.545 4.556 0.000 0.000 0.282 304 H C 2.339 177.425 175.328 -0.404 0.000 1.003 304 H CA 0.703 56.521 56.048 -0.384 0.000 1.307 304 H CB 0.245 29.771 29.762 -0.393 0.000 1.437 304 H HN 0.529 nan 8.280 nan 0.000 0.544 305 S N 0.839 116.345 115.700 -0.323 0.000 2.362 305 S HA -0.115 4.355 4.470 0.000 0.000 0.221 305 S C 2.037 176.563 174.600 -0.124 0.000 1.032 305 S CA 0.318 58.350 58.200 -0.279 0.000 0.973 305 S CB -0.082 62.921 63.200 -0.328 0.000 0.849 305 S HN 0.265 nan 8.310 nan 0.000 0.465 306 R N 0.435 120.866 120.500 -0.114 0.000 2.113 306 R HA -0.136 4.204 4.340 0.000 0.000 0.244 306 R C 2.428 178.721 176.300 -0.012 0.000 1.142 306 R CA 1.881 57.936 56.100 -0.075 0.000 0.953 306 R CB -0.749 29.402 30.300 -0.248 0.000 0.860 306 R HN 0.537 nan 8.270 nan 0.000 0.438 307 L N 0.679 121.857 121.223 -0.075 0.000 1.988 307 L HA -0.116 4.224 4.340 0.000 0.000 0.207 307 L C 1.982 178.732 176.870 -0.201 0.000 1.071 307 L CA 1.672 56.360 54.840 -0.253 0.000 0.744 307 L CB -0.326 41.306 42.059 -0.712 0.000 0.893 307 L HN 0.139 nan 8.230 nan 0.000 0.433 308 L N -0.400 120.691 121.223 -0.220 0.000 2.465 308 L HA -0.043 4.297 4.340 0.000 0.000 0.224 308 L C 2.241 179.074 176.870 -0.062 0.000 1.145 308 L CA 0.351 55.103 54.840 -0.148 0.000 0.834 308 L CB -0.468 41.479 42.059 -0.187 0.000 0.944 308 L HN 0.359 nan 8.230 nan 0.000 0.451 309 E N 0.246 120.417 120.200 -0.048 0.000 2.427 309 E HA -0.097 4.253 4.350 0.000 0.000 0.196 309 E C 1.952 178.560 176.600 0.013 0.000 1.028 309 E CA 0.382 56.778 56.400 -0.007 0.000 0.864 309 E CB 0.156 29.862 29.700 0.010 0.000 0.813 309 E HN 0.490 nan 8.360 nan 0.000 0.514 310 R N 0.668 121.177 120.500 0.015 0.000 2.235 310 R HA 0.067 4.407 4.340 0.000 0.000 0.213 310 R C 0.957 177.284 176.300 0.045 0.000 1.059 310 R CA 0.359 56.482 56.100 0.037 0.000 0.997 310 R CB 0.041 30.371 30.300 0.050 0.000 0.884 310 R HN -0.079 nan 8.270 nan 0.000 0.462 311 A N 1.261 124.106 122.820 0.042 0.000 2.450 311 A HA 0.600 4.920 4.320 0.000 0.000 0.255 311 A C -0.177 177.427 177.584 0.033 0.000 1.096 311 A CA 0.079 52.141 52.037 0.042 0.000 0.778 311 A CB 0.446 19.468 19.000 0.037 0.000 1.031 311 A HN 0.298 nan 8.150 nan 0.000 0.494 312 A N 2.151 124.994 122.820 0.037 0.000 2.597 312 A HA 0.644 4.964 4.320 0.000 0.000 0.292 312 A C -0.809 176.801 177.584 0.043 0.000 1.057 312 A CA -0.707 51.351 52.037 0.035 0.000 0.674 312 A CB 0.898 19.919 19.000 0.034 0.000 1.278 312 A HN 0.995 nan 8.150 nan 0.000 0.416 313 K N 1.734 122.160 120.400 0.043 0.000 2.240 313 K HA 0.687 5.007 4.320 0.000 0.000 0.271 313 K C -0.896 175.737 176.600 0.056 0.000 1.018 313 K CA -0.277 56.045 56.287 0.058 0.000 0.874 313 K CB 0.343 32.876 32.500 0.055 0.000 1.098 313 K HN 0.593 nan 8.250 nan 0.000 0.458 314 L N 2.869 124.125 121.223 0.055 0.000 2.466 314 L HA 0.309 4.649 4.340 0.000 0.000 0.257 314 L C 0.701 177.598 176.870 0.044 0.000 1.189 314 L CA -0.698 54.164 54.840 0.038 0.000 0.813 314 L CB 1.147 43.217 42.059 0.017 0.000 1.118 314 L HN 0.862 nan 8.230 nan 0.000 0.471 315 S N -0.585 115.132 115.700 0.029 0.000 2.641 315 S HA 0.112 4.582 4.470 0.000 0.000 0.261 315 S C 0.794 175.407 174.600 0.023 0.000 1.257 315 S CA -0.618 57.597 58.200 0.026 0.000 0.983 315 S CB 1.048 64.256 63.200 0.014 0.000 0.990 315 S HN 0.660 nan 8.310 nan 0.000 0.572 316 E N 0.664 120.875 120.200 0.018 0.000 2.017 316 E HA -0.199 4.152 4.350 0.000 0.000 0.193 316 E C 2.065 178.667 176.600 0.004 0.000 0.997 316 E CA 1.167 57.576 56.400 0.014 0.000 0.804 316 E CB -0.258 29.446 29.700 0.007 0.000 0.757 316 E HN 0.716 nan 8.360 nan 0.000 0.448 317 K N 0.782 121.182 120.400 0.000 0.000 2.144 317 K HA -0.254 4.066 4.320 0.000 0.000 0.209 317 K C 1.466 178.060 176.600 -0.010 0.000 1.047 317 K CA 1.794 58.078 56.287 -0.005 0.000 0.927 317 K CB -0.028 32.469 32.500 -0.004 0.000 0.716 317 K HN -0.093 nan 8.250 nan 0.000 0.454 318 E N -1.385 118.809 120.200 -0.009 0.000 2.419 318 E HA 0.117 4.467 4.350 0.000 0.000 0.190 318 E C 0.363 176.945 176.600 -0.030 0.000 1.040 318 E CA 0.610 56.999 56.400 -0.019 0.000 0.900 318 E CB 0.568 30.261 29.700 -0.012 0.000 1.054 318 E HN 0.541 nan 8.360 nan 0.000 0.462 319 G N -0.591 108.194 108.800 -0.024 0.000 2.175 319 G HA2 -0.323 3.637 3.960 0.000 0.000 0.244 319 G HA3 -0.323 3.637 3.960 0.000 0.000 0.244 319 G C 0.718 175.606 174.900 -0.021 0.000 0.982 319 G CA 0.196 45.274 45.100 -0.037 0.000 0.641 319 G HN 0.296 nan 8.290 nan 0.000 0.527 320 S N -1.023 114.683 115.700 0.011 0.000 3.445 320 S HA -0.163 4.307 4.470 0.000 0.000 0.319 320 S C 1.707 176.356 174.600 0.083 0.000 1.209 320 S CA 1.617 59.854 58.200 0.061 0.000 0.934 320 S CB -1.441 61.811 63.200 0.088 0.000 0.999 320 S HN 2.197 nan 8.310 nan 0.000 0.582 321 G N 0.800 109.592 108.800 -0.013 0.000 2.684 321 G HA2 0.508 4.468 3.960 0.000 0.000 0.255 321 G HA3 0.508 4.468 3.960 0.000 0.000 0.255 321 G C -0.161 174.783 174.900 0.072 0.000 1.219 321 G CA 0.417 45.462 45.100 -0.090 0.000 0.901 321 G HN 1.188 nan 8.290 nan 0.000 0.548 322 S N -1.082 114.693 115.700 0.126 0.000 2.543 322 S HA 0.492 4.962 4.470 0.000 0.000 0.273 322 S C -1.670 173.018 174.600 0.148 0.000 1.152 322 S CA -0.758 57.562 58.200 0.200 0.000 0.910 322 S CB 1.647 65.047 63.200 0.333 0.000 1.105 322 S HN 1.034 nan 8.310 nan 0.000 0.465 323 L N 3.371 124.650 121.223 0.093 0.000 2.356 323 L HA 0.798 5.138 4.340 0.000 0.000 0.277 323 L C -0.604 176.287 176.870 0.036 0.000 0.996 323 L CA 0.286 55.170 54.840 0.073 0.000 0.822 323 L CB 1.959 44.064 42.059 0.077 0.000 1.256 323 L HN 0.834 nan 8.230 nan 0.000 0.413 324 T N 4.335 118.894 114.554 0.008 0.000 2.797 324 T HA 0.830 5.180 4.350 0.000 0.000 0.279 324 T C -0.542 174.136 174.700 -0.036 0.000 0.991 324 T CA -0.318 61.772 62.100 -0.018 0.000 0.979 324 T CB 1.451 70.294 68.868 -0.042 0.000 0.943 324 T HN 0.798 nan 8.240 nan 0.000 0.444 325 A N 3.556 126.363 122.820 -0.022 0.000 2.303 325 A HA 0.732 5.052 4.320 0.000 0.000 0.320 325 A C -0.438 177.130 177.584 -0.027 0.000 1.192 325 A CA -0.670 51.352 52.037 -0.025 0.000 0.821 325 A CB 0.361 19.414 19.000 0.088 0.000 1.188 325 A HN 0.865 nan 8.150 nan 0.000 0.492 326 L N 5.086 126.269 121.223 -0.068 0.000 2.426 326 L HA 0.321 4.661 4.340 0.000 0.000 0.255 326 L C -2.220 174.636 176.870 -0.023 0.000 1.080 326 L CA -1.762 53.053 54.840 -0.042 0.000 0.960 326 L CB 1.189 43.221 42.059 -0.045 0.000 1.326 326 L HN 0.494 nan 8.230 nan 0.000 0.441 327 P HA 0.150 nan 4.420 nan 0.000 0.275 327 P C -0.463 176.815 177.300 -0.035 0.000 1.228 327 P CA -0.161 62.973 63.100 0.056 0.000 0.786 327 P CB 1.957 33.638 31.700 -0.030 0.000 0.927 328 V N 3.912 123.795 119.914 -0.053 0.000 2.547 328 V HA 0.423 4.543 4.120 0.000 0.000 0.299 328 V C 0.424 176.463 176.094 -0.092 0.000 1.040 328 V CA -0.622 61.636 62.300 -0.071 0.000 0.913 328 V CB 1.681 33.470 31.823 -0.057 0.000 0.992 328 V HN 0.429 nan 8.190 nan 0.000 0.449 329 I N 3.032 123.544 120.570 -0.098 0.000 2.545 329 I HA 0.436 4.606 4.170 0.000 0.000 0.292 329 I C -0.153 175.909 176.117 -0.091 0.000 1.040 329 I CA -0.399 60.845 61.300 -0.092 0.000 1.068 329 I CB 2.146 40.087 38.000 -0.098 0.000 1.251 329 I HN 0.749 nan 8.210 nan 0.000 0.424 330 E N 4.914 125.079 120.200 -0.059 0.000 2.109 330 E HA 0.359 4.710 4.350 0.000 0.000 0.278 330 E C -0.590 175.989 176.600 -0.035 0.000 0.954 330 E CA -0.365 56.003 56.400 -0.053 0.000 0.779 330 E CB 1.176 30.861 29.700 -0.025 0.000 1.093 330 E HN 0.700 nan 8.360 nan 0.000 0.401 331 T N 1.884 116.405 114.554 -0.055 0.000 2.874 331 T HA 0.299 4.649 4.350 0.000 0.000 0.281 331 T C 0.031 174.736 174.700 0.009 0.000 0.994 331 T CA -0.997 61.094 62.100 -0.015 0.000 1.015 331 T CB 1.455 70.311 68.868 -0.020 0.000 1.028 331 T HN 0.304 nan 8.240 nan 0.000 0.523 332 Q N 0.767 120.589 119.800 0.037 0.000 2.340 332 Q HA 0.436 4.776 4.340 0.000 0.000 0.259 332 Q C 0.913 176.944 176.000 0.051 0.000 0.964 332 Q CA -0.103 55.725 55.803 0.042 0.000 0.900 332 Q CB 0.983 29.752 28.738 0.052 0.000 1.228 332 Q HN 1.268 nan 8.270 nan 0.000 0.449 333 G N 2.011 110.839 108.800 0.047 0.000 2.395 333 G HA2 -0.187 3.773 3.960 0.000 0.000 0.292 333 G HA3 -0.187 3.773 3.960 0.000 0.000 0.292 333 G C 0.924 175.872 174.900 0.078 0.000 0.953 333 G CA 1.079 46.214 45.100 0.058 0.000 1.207 333 G HN 1.220 nan 8.290 nan 0.000 0.503 334 G N -0.325 108.533 108.800 0.097 0.000 2.175 334 G HA2 -0.303 3.658 3.960 0.000 0.000 0.265 334 G HA3 -0.303 3.658 3.960 0.000 0.000 0.265 334 G C 0.395 175.394 174.900 0.164 0.000 0.979 334 G CA 1.038 46.237 45.100 0.166 0.000 0.663 334 G HN 1.420 nan 8.290 nan 0.000 0.533 335 D N 0.599 121.066 120.400 0.112 0.000 2.435 335 D HA 0.382 5.022 4.640 0.000 0.000 0.230 335 D C 1.804 178.170 176.300 0.110 0.000 1.215 335 D CA 0.329 54.390 54.000 0.102 0.000 0.947 335 D CB 0.515 41.365 40.800 0.083 0.000 1.048 335 D HN 0.605 nan 8.370 nan 0.000 0.512 336 V N 1.079 121.074 119.914 0.136 0.000 3.510 336 V HA 0.023 4.143 4.120 0.000 0.000 0.270 336 V C 1.375 177.528 176.094 0.099 0.000 1.201 336 V CA 0.729 63.109 62.300 0.133 0.000 1.166 336 V CB -0.178 31.755 31.823 0.184 0.000 0.825 336 V HN 0.310 nan 8.190 nan 0.000 0.484 337 S N 0.529 116.284 115.700 0.092 0.000 2.535 337 S HA 0.535 5.005 4.470 0.000 0.000 0.214 337 S C 1.311 175.977 174.600 0.109 0.000 0.980 337 S CA 0.335 58.588 58.200 0.090 0.000 0.907 337 S CB -0.005 63.242 63.200 0.077 0.000 0.790 337 S HN 0.904 nan 8.310 nan 0.000 0.510 338 A N 0.800 123.686 122.820 0.110 0.000 2.507 338 A HA 0.205 4.526 4.320 0.000 0.000 0.235 338 A C 0.898 178.582 177.584 0.167 0.000 1.070 338 A CA -0.081 52.040 52.037 0.141 0.000 0.768 338 A CB -0.197 18.877 19.000 0.123 0.000 1.011 338 A HN 0.367 nan 8.150 nan 0.000 0.502 339 Y N 1.863 122.201 120.300 0.063 0.000 2.040 339 Y HA -0.274 4.276 4.550 0.000 0.000 0.275 339 Y C 1.956 177.846 175.900 -0.017 0.000 1.171 339 Y CA 2.542 60.662 58.100 0.033 0.000 1.123 339 Y CB -0.161 38.333 38.460 0.056 0.000 0.963 339 Y HN 0.552 nan 8.280 nan 0.000 0.493 340 I N 0.073 120.524 120.570 -0.200 0.000 2.252 340 I HA -0.161 4.010 4.170 0.000 0.000 0.245 340 I C -0.459 175.582 176.117 -0.128 0.000 1.102 340 I CA 1.121 62.249 61.300 -0.286 0.000 1.385 340 I CB -2.700 35.160 38.000 -0.234 0.000 1.064 340 I HN 0.182 nan 8.210 nan 0.000 0.414 341 P HA -0.130 nan 4.420 nan 0.000 0.216 341 P C 1.808 179.103 177.300 -0.007 0.000 1.153 341 P CA 1.828 64.918 63.100 -0.016 0.000 0.858 341 P CB -0.175 31.540 31.700 0.025 0.000 0.789 342 T N -0.796 113.756 114.554 -0.003 0.000 2.720 342 T HA -0.153 4.197 4.350 0.000 0.000 0.268 342 T C 1.608 176.325 174.700 0.028 0.000 1.037 342 T CA 1.603 63.716 62.100 0.022 0.000 1.144 342 T CB -0.957 67.937 68.868 0.043 0.000 0.864 342 T HN 0.117 nan 8.240 nan 0.000 0.444 343 N N 0.902 119.583 118.700 -0.032 0.000 2.043 343 N HA -0.074 4.666 4.740 0.000 0.000 0.193 343 N C 1.976 177.513 175.510 0.044 0.000 1.037 343 N CA 0.939 54.050 53.050 0.101 0.000 0.851 343 N CB -0.898 37.569 38.487 -0.033 0.000 1.027 343 N HN 0.221 nan 8.380 nan 0.000 0.422 344 V N 1.243 121.133 119.914 -0.040 0.000 2.358 344 V HA -0.104 4.016 4.120 0.000 0.000 0.246 344 V C 2.207 178.276 176.094 -0.041 0.000 1.047 344 V CA 1.018 63.262 62.300 -0.092 0.000 1.035 344 V CB -0.449 31.282 31.823 -0.155 0.000 0.658 344 V HN 0.224 nan 8.190 nan 0.000 0.452 345 I N 1.293 121.863 120.570 -0.001 0.000 2.264 345 I HA -0.229 3.942 4.170 0.000 0.000 0.248 345 I C 2.518 178.661 176.117 0.043 0.000 1.111 345 I CA 1.947 63.263 61.300 0.026 0.000 1.382 345 I CB -0.319 37.711 38.000 0.051 0.000 1.060 345 I HN 0.482 nan 8.210 nan 0.000 0.418 346 S N -0.037 115.707 115.700 0.074 0.000 2.527 346 S HA 0.102 4.573 4.470 0.000 0.000 0.222 346 S C 1.754 176.420 174.600 0.110 0.000 0.985 346 S CA 0.215 58.478 58.200 0.106 0.000 0.921 346 S CB -0.317 62.972 63.200 0.148 0.000 0.772 346 S HN 0.415 nan 8.310 nan 0.000 0.529 347 I N 2.119 122.720 120.570 0.051 0.000 2.585 347 I HA 0.009 4.179 4.170 0.000 0.000 0.254 347 I C 1.849 177.954 176.117 -0.020 0.000 1.129 347 I CA 0.871 62.162 61.300 -0.015 0.000 1.455 347 I CB -0.419 37.480 38.000 -0.169 0.000 1.111 347 I HN 0.443 nan 8.210 nan 0.000 0.433 348 T N -2.373 112.166 114.554 -0.025 0.000 2.793 348 T HA 0.085 4.436 4.350 0.000 0.000 0.299 348 T C 0.572 175.274 174.700 0.002 0.000 1.038 348 T CA -0.272 61.815 62.100 -0.021 0.000 0.948 348 T CB 0.692 69.543 68.868 -0.028 0.000 1.231 348 T HN 0.028 nan 8.240 nan 0.000 0.538 349 D N -0.289 120.113 120.400 0.002 0.000 2.395 349 D HA 0.374 5.014 4.640 0.000 0.000 0.213 349 D C 0.794 177.102 176.300 0.014 0.000 1.110 349 D CA 0.298 54.303 54.000 0.009 0.000 0.835 349 D CB 0.584 41.388 40.800 0.005 0.000 0.965 349 D HN 0.915 nan 8.370 nan 0.000 0.505 350 G N 0.459 109.269 108.800 0.017 0.000 2.336 350 G HA2 0.231 4.191 3.960 0.000 0.000 0.300 350 G HA3 0.231 4.191 3.960 0.000 0.000 0.300 350 G C -1.876 173.045 174.900 0.034 0.000 1.375 350 G CA -0.875 44.241 45.100 0.027 0.000 0.885 350 G HN -0.070 nan 8.290 nan 0.000 0.599 351 Q N -0.594 119.241 119.800 0.058 0.000 2.356 351 Q HA 0.698 5.038 4.340 0.000 0.000 0.270 351 Q C -0.356 175.698 176.000 0.091 0.000 1.058 351 Q CA -0.442 55.410 55.803 0.081 0.000 0.802 351 Q CB 2.627 31.460 28.738 0.158 0.000 1.303 351 Q HN 0.576 nan 8.270 nan 0.000 0.444 352 I N 2.482 123.090 120.570 0.063 0.000 2.304 352 I HA 0.310 4.480 4.170 0.000 0.000 0.291 352 I C -0.871 175.299 176.117 0.089 0.000 1.018 352 I CA -0.532 60.813 61.300 0.074 0.000 1.260 352 I CB 0.458 38.479 38.000 0.034 0.000 1.390 352 I HN 0.470 nan 8.210 nan 0.000 0.475 353 F N 7.852 127.806 119.950 0.007 0.000 2.388 353 F HA 0.554 5.081 4.527 0.001 0.000 0.358 353 F C -0.545 175.262 175.800 0.011 0.000 1.122 353 F CA -0.517 57.487 58.000 0.007 0.000 1.056 353 F CB 0.764 39.769 39.000 0.009 0.000 1.155 353 F HN 0.188 nan 8.300 nan 0.000 0.461 354 L N 4.999 126.203 121.223 -0.031 0.000 2.344 354 L HA 0.601 4.941 4.340 0.000 0.000 0.272 354 L C -0.644 176.294 176.870 0.113 0.000 1.035 354 L CA -0.825 54.053 54.840 0.063 0.000 0.807 354 L CB 1.769 43.819 42.059 -0.015 0.000 1.237 354 L HN 0.492 nan 8.230 nan 0.000 0.442 355 E N 0.061 120.337 120.200 0.126 0.000 2.292 355 E HA 0.349 4.699 4.350 0.000 0.000 0.272 355 E C 0.006 176.611 176.600 0.008 0.000 0.881 355 E CA -0.529 55.937 56.400 0.109 0.000 0.754 355 E CB 2.371 32.163 29.700 0.153 0.000 1.201 355 E HN 0.709 nan 8.360 nan 0.000 0.425 356 A N 2.881 125.660 122.820 -0.069 0.000 1.908 356 A HA -0.235 4.085 4.320 0.000 0.000 0.218 356 A C 1.750 179.147 177.584 -0.311 0.000 1.181 356 A CA 1.488 53.351 52.037 -0.289 0.000 0.627 356 A CB -0.278 18.647 19.000 -0.126 0.000 0.818 356 A HN 0.670 nan 8.150 nan 0.000 0.445 357 E N -0.034 120.151 120.200 -0.025 0.000 2.035 357 E HA -0.234 4.116 4.350 0.000 0.000 0.204 357 E C 2.071 178.702 176.600 0.052 0.000 1.025 357 E CA 1.738 58.181 56.400 0.072 0.000 0.835 357 E CB -0.525 29.223 29.700 0.081 0.000 0.764 357 E HN 0.699 nan 8.360 nan 0.000 0.457 358 L N -0.157 121.091 121.223 0.042 0.000 2.083 358 L HA -0.164 4.176 4.340 0.000 0.000 0.209 358 L C 2.524 179.404 176.870 0.017 0.000 1.083 358 L CA 0.819 55.685 54.840 0.043 0.000 0.752 358 L CB -0.517 41.572 42.059 0.052 0.000 0.899 358 L HN 0.042 nan 8.230 nan 0.000 0.433 359 F N 0.517 120.358 119.950 -0.183 0.000 2.046 359 F HA -0.304 4.223 4.527 0.000 0.000 0.297 359 F C 2.428 178.136 175.800 -0.153 0.000 1.123 359 F CA 1.769 59.626 58.000 -0.239 0.000 1.199 359 F CB -0.415 38.326 39.000 -0.431 0.000 0.972 359 F HN -0.047 nan 8.300 nan 0.000 0.474 360 Y N 0.143 120.643 120.300 0.333 0.000 2.352 360 Y HA -0.077 4.473 4.550 0.000 0.000 0.292 360 Y C 2.252 178.206 175.900 0.090 0.000 1.136 360 Y CA 0.812 59.038 58.100 0.210 0.000 1.227 360 Y CB -1.168 37.393 38.460 0.169 0.000 0.991 360 Y HN 0.050 nan 8.280 nan 0.000 0.545 361 K N -0.757 119.750 120.400 0.178 0.000 2.280 361 K HA -0.026 4.294 4.320 0.000 0.000 0.202 361 K C 1.679 178.305 176.600 0.044 0.000 1.047 361 K CA 1.105 57.453 56.287 0.102 0.000 0.942 361 K CB -0.310 32.237 32.500 0.079 0.000 0.739 361 K HN 0.544 nan 8.250 nan 0.000 0.457 362 G N 0.773 109.566 108.800 -0.013 0.000 2.316 362 G HA2 -0.198 3.763 3.960 0.000 0.000 0.203 362 G HA3 -0.198 3.763 3.960 0.000 0.000 0.203 362 G C 0.220 175.041 174.900 -0.131 0.000 0.999 362 G CA -0.379 44.675 45.100 -0.076 0.000 0.649 362 G HN 0.156 nan 8.290 nan 0.000 0.489 363 I N 2.640 123.155 120.570 -0.091 0.000 2.725 363 I HA 0.234 4.404 4.170 0.000 0.000 0.296 363 I C 0.687 176.712 176.117 -0.153 0.000 1.155 363 I CA 0.575 61.826 61.300 -0.082 0.000 1.450 363 I CB -0.090 37.898 38.000 -0.021 0.000 1.478 363 I HN 0.095 nan 8.210 nan 0.000 0.642 364 R N 6.618 127.005 120.500 -0.188 0.000 2.513 364 R HA 0.451 4.791 4.340 0.000 0.000 0.301 364 R C -2.600 173.628 176.300 -0.119 0.000 0.968 364 R CA -1.861 54.104 56.100 -0.225 0.000 0.872 364 R CB 1.328 31.388 30.300 -0.400 0.000 1.177 364 R HN 0.152 nan 8.270 nan 0.000 0.444 365 P HA -0.054 nan 4.420 nan 0.000 0.265 365 P C -0.397 176.892 177.300 -0.018 0.000 1.187 365 P CA 0.132 63.208 63.100 -0.040 0.000 0.766 365 P CB 0.715 32.407 31.700 -0.012 0.000 0.820 366 A N 4.327 127.165 122.820 0.030 0.000 3.033 366 A HA 0.148 4.468 4.320 0.000 0.000 0.250 366 A C 0.477 178.112 177.584 0.083 0.000 1.633 366 A CA -0.208 51.868 52.037 0.064 0.000 1.290 366 A CB -1.459 17.633 19.000 0.153 0.000 1.048 366 A HN 0.485 nan 8.150 nan 0.000 0.648 367 I N 1.137 121.747 120.570 0.066 0.000 2.452 367 I HA 0.001 4.171 4.170 0.000 0.000 0.287 367 I C 0.577 176.755 176.117 0.100 0.000 1.079 367 I CA -0.275 61.079 61.300 0.090 0.000 1.387 367 I CB 0.477 38.516 38.000 0.065 0.000 1.404 367 I HN 0.318 nan 8.210 nan 0.000 0.522 368 N N 6.625 125.413 118.700 0.147 0.000 2.448 368 N HA 0.067 4.807 4.740 0.000 0.000 0.250 368 N C 0.826 176.374 175.510 0.064 0.000 1.136 368 N CA 0.008 53.117 53.050 0.097 0.000 0.953 368 N CB 1.220 39.755 38.487 0.079 0.000 1.251 368 N HN 0.428 nan 8.380 nan 0.000 0.502 369 V N 3.465 123.410 119.914 0.052 0.000 2.392 369 V HA -0.187 3.933 4.120 0.000 0.000 0.249 369 V C 2.379 178.485 176.094 0.020 0.000 1.059 369 V CA 2.226 64.551 62.300 0.043 0.000 1.051 369 V CB -0.918 30.935 31.823 0.049 0.000 0.658 369 V HN 0.720 nan 8.190 nan 0.000 0.455 370 G N -0.090 108.711 108.800 0.001 0.000 2.440 370 G HA2 -0.197 3.763 3.960 0.000 0.000 0.218 370 G HA3 -0.197 3.763 3.960 0.000 0.000 0.218 370 G C 1.339 176.204 174.900 -0.058 0.000 1.154 370 G CA 0.830 45.914 45.100 -0.026 0.000 0.767 370 G HN 0.531 nan 8.290 nan 0.000 0.552 371 L N 0.909 122.070 121.223 -0.104 0.000 2.700 371 L HA 0.302 4.642 4.340 0.000 0.000 0.234 371 L C 0.324 177.169 176.870 -0.041 0.000 1.156 371 L CA -0.325 54.414 54.840 -0.168 0.000 0.946 371 L CB 0.513 42.278 42.059 -0.490 0.000 1.216 371 L HN 0.002 nan 8.230 nan 0.000 0.493 372 S N 0.305 116.021 115.700 0.026 0.000 2.593 372 S HA 0.777 5.247 4.470 0.000 0.000 0.297 372 S C -0.298 174.330 174.600 0.047 0.000 1.112 372 S CA -0.573 57.675 58.200 0.079 0.000 1.043 372 S CB 2.470 65.727 63.200 0.095 0.000 1.054 372 S HN 0.044 nan 8.310 nan 0.000 0.516 373 V N -0.690 119.254 119.914 0.050 0.000 3.204 373 V HA 0.796 4.917 4.120 0.000 0.000 0.298 373 V C -0.683 175.428 176.094 0.030 0.000 1.328 373 V CA -0.900 61.419 62.300 0.032 0.000 1.035 373 V CB 1.591 33.428 31.823 0.024 0.000 1.095 373 V HN 0.725 nan 8.190 nan 0.000 0.442 374 S N 0.950 116.663 115.700 0.020 0.000 2.456 374 S HA 0.534 5.004 4.470 0.000 0.000 0.316 374 S C 0.663 175.270 174.600 0.013 0.000 1.089 374 S CA -0.658 57.550 58.200 0.014 0.000 1.101 374 S CB 1.499 64.704 63.200 0.008 0.000 0.995 374 S HN 0.804 nan 8.310 nan 0.000 0.468 375 R N 2.973 123.480 120.500 0.013 0.000 2.189 375 R HA 0.009 4.349 4.340 0.000 0.000 0.218 375 R C 1.703 178.009 176.300 0.010 0.000 1.074 375 R CA 1.053 57.161 56.100 0.013 0.000 0.991 375 R CB -0.238 30.071 30.300 0.015 0.000 0.883 375 R HN 0.590 nan 8.270 nan 0.000 0.457 376 V N -0.100 119.819 119.914 0.007 0.000 2.323 376 V HA -0.031 4.089 4.120 0.000 0.000 0.244 376 V C 1.663 177.761 176.094 0.006 0.000 1.041 376 V CA 1.685 63.988 62.300 0.006 0.000 1.025 376 V CB -0.862 30.962 31.823 0.001 0.000 0.656 376 V HN 0.702 nan 8.190 nan 0.000 0.451 377 G N -0.188 108.614 108.800 0.004 0.000 2.514 377 G HA2 -0.362 3.598 3.960 0.000 0.000 0.265 377 G HA3 -0.362 3.598 3.960 0.000 0.000 0.265 377 G C 1.023 175.925 174.900 0.004 0.000 1.150 377 G CA 0.425 45.528 45.100 0.005 0.000 0.959 377 G HN 0.292 nan 8.290 nan 0.000 0.556 378 S N 0.771 116.475 115.700 0.006 0.000 2.382 378 S HA 0.050 4.520 4.470 0.000 0.000 0.228 378 S C 2.734 177.340 174.600 0.009 0.000 1.027 378 S CA 2.062 60.266 58.200 0.008 0.000 0.991 378 S CB -0.644 62.561 63.200 0.009 0.000 0.823 378 S HN 1.743 nan 8.310 nan 0.000 0.469 379 A N 0.326 123.153 122.820 0.013 0.000 2.234 379 A HA 0.180 4.500 4.320 0.000 0.000 0.216 379 A C 1.694 179.286 177.584 0.014 0.000 1.167 379 A CA 1.423 53.475 52.037 0.025 0.000 0.698 379 A CB -0.447 18.573 19.000 0.034 0.000 0.779 379 A HN 0.501 nan 8.150 nan 0.000 0.475 380 A N -1.699 121.116 122.820 -0.008 0.000 2.503 380 A HA 0.415 4.735 4.320 0.000 0.000 0.263 380 A C 0.518 178.075 177.584 -0.044 0.000 1.258 380 A CA -0.049 51.965 52.037 -0.038 0.000 0.936 380 A CB 0.077 19.055 19.000 -0.038 0.000 1.070 380 A HN 0.493 nan 8.150 nan 0.000 0.522 381 Q N 0.467 120.253 119.800 -0.023 0.000 2.337 381 Q HA 0.506 4.847 4.340 0.000 0.000 0.270 381 Q C -1.211 174.784 176.000 -0.008 0.000 1.043 381 Q CA -0.586 55.208 55.803 -0.014 0.000 0.794 381 Q CB 2.297 31.036 28.738 0.001 0.000 1.281 381 Q HN 0.111 nan 8.270 nan 0.000 0.446 382 V N 5.017 124.927 119.914 -0.007 0.000 2.539 382 V HA -0.153 3.967 4.120 0.000 0.000 0.300 382 V C 1.555 177.660 176.094 0.019 0.000 1.019 382 V CA 0.821 63.124 62.300 0.005 0.000 1.160 382 V CB 0.459 32.293 31.823 0.019 0.000 0.901 382 V HN 0.907 nan 8.190 nan 0.000 0.481 383 K N 4.535 124.947 120.400 0.020 0.000 2.059 383 K HA -0.282 4.039 4.320 0.000 0.000 0.212 383 K C 2.154 178.775 176.600 0.036 0.000 1.050 383 K CA 1.954 58.257 56.287 0.026 0.000 0.927 383 K CB -0.297 32.217 32.500 0.024 0.000 0.714 383 K HN 0.875 nan 8.250 nan 0.000 0.447 384 A N 0.810 123.653 122.820 0.038 0.000 1.927 384 A HA -0.217 4.104 4.320 0.000 0.000 0.220 384 A C 2.025 179.647 177.584 0.063 0.000 1.185 384 A CA 1.698 53.764 52.037 0.048 0.000 0.639 384 A CB -0.646 18.379 19.000 0.040 0.000 0.820 384 A HN 0.360 nan 8.150 nan 0.000 0.451 385 L N -0.143 121.114 121.223 0.056 0.000 2.072 385 L HA -0.057 4.283 4.340 0.000 0.000 0.205 385 L C 2.298 179.204 176.870 0.060 0.000 1.079 385 L CA 2.513 57.391 54.840 0.062 0.000 0.752 385 L CB -0.687 41.403 42.059 0.051 0.000 0.906 385 L HN 0.508 nan 8.230 nan 0.000 0.436 386 K N -0.860 119.568 120.400 0.046 0.000 2.103 386 K HA -0.242 4.078 4.320 0.000 0.000 0.207 386 K C 1.959 178.588 176.600 0.048 0.000 1.048 386 K CA 1.857 58.168 56.287 0.040 0.000 0.930 386 K CB -0.071 32.446 32.500 0.029 0.000 0.716 386 K HN 0.535 nan 8.250 nan 0.000 0.444 387 Q N 0.125 119.960 119.800 0.060 0.000 2.079 387 Q HA -0.128 4.212 4.340 0.000 0.000 0.200 387 Q C 2.224 178.280 176.000 0.093 0.000 0.974 387 Q CA 1.870 57.716 55.803 0.072 0.000 0.840 387 Q CB -0.056 28.731 28.738 0.081 0.000 0.898 387 Q HN 0.388 nan 8.270 nan 0.000 0.430 388 V N -2.475 117.508 119.914 0.115 0.000 2.591 388 V HA 0.098 4.218 4.120 0.000 0.000 0.249 388 V C 1.989 178.141 176.094 0.095 0.000 1.053 388 V CA 1.363 63.739 62.300 0.127 0.000 1.068 388 V CB -0.792 31.138 31.823 0.178 0.000 0.689 388 V HN 0.221 nan 8.190 nan 0.000 0.462 389 A N 1.047 123.914 122.820 0.079 0.000 2.206 389 A HA 0.322 4.642 4.320 0.000 0.000 0.211 389 A C 2.180 179.791 177.584 0.044 0.000 1.158 389 A CA 1.021 53.096 52.037 0.064 0.000 0.761 389 A CB -1.040 17.993 19.000 0.054 0.000 0.801 389 A HN 0.633 nan 8.150 nan 0.000 0.473 390 G N 0.702 109.523 108.800 0.035 0.000 2.459 390 G HA2 -0.267 3.693 3.960 0.000 0.000 0.217 390 G HA3 -0.267 3.693 3.960 0.000 0.000 0.217 390 G C 2.044 176.929 174.900 -0.024 0.000 1.183 390 G CA 1.772 46.876 45.100 0.006 0.000 0.776 390 G HN 0.821 nan 8.290 nan 0.000 0.552 391 S N 0.472 116.161 115.700 -0.019 0.000 2.368 391 S HA -0.057 4.413 4.470 0.000 0.000 0.224 391 S C 2.369 176.930 174.600 -0.064 0.000 1.029 391 S CA 1.352 59.478 58.200 -0.124 0.000 0.988 391 S CB -0.476 62.706 63.200 -0.029 0.000 0.838 391 S HN 0.234 nan 8.310 nan 0.000 0.462 392 L N 2.591 123.882 121.223 0.114 0.000 2.051 392 L HA -0.157 4.183 4.340 0.000 0.000 0.214 392 L C 2.520 179.437 176.870 0.078 0.000 1.076 392 L CA 2.485 57.420 54.840 0.158 0.000 0.758 392 L CB -1.006 41.121 42.059 0.112 0.000 0.890 392 L HN 0.540 nan 8.230 nan 0.000 0.433 393 K N -1.044 119.372 120.400 0.025 0.000 2.089 393 K HA -0.270 4.050 4.320 0.000 0.000 0.210 393 K C 2.069 178.662 176.600 -0.013 0.000 1.048 393 K CA 2.302 58.593 56.287 0.006 0.000 0.926 393 K CB -0.353 32.142 32.500 -0.009 0.000 0.714 393 K HN 0.407 nan 8.250 nan 0.000 0.448 394 L N 0.053 121.226 121.223 -0.083 0.000 2.062 394 L HA 0.041 4.381 4.340 0.000 0.000 0.202 394 L C 1.930 178.758 176.870 -0.070 0.000 1.079 394 L CA 1.313 56.068 54.840 -0.143 0.000 0.755 394 L CB -0.559 41.311 42.059 -0.315 0.000 0.913 394 L HN 0.094 nan 8.230 nan 0.000 0.445 395 F N -0.287 119.666 119.950 0.004 0.000 2.323 395 F HA -0.247 4.280 4.527 0.000 0.000 0.301 395 F C 2.154 177.972 175.800 0.031 0.000 1.060 395 F CA 1.341 59.342 58.000 0.001 0.000 1.398 395 F CB -0.738 38.237 39.000 -0.040 0.000 1.075 395 F HN 0.106 nan 8.300 nan 0.000 0.540 396 L N -1.883 119.457 121.223 0.196 0.000 2.316 396 L HA 0.092 4.432 4.340 0.000 0.000 0.207 396 L C 2.583 179.566 176.870 0.188 0.000 1.070 396 L CA 0.706 55.655 54.840 0.181 0.000 0.820 396 L CB -0.764 41.362 42.059 0.112 0.000 0.992 396 L HN 0.046 nan 8.230 nan 0.000 0.466 397 A N 0.209 123.093 122.820 0.107 0.000 1.865 397 A HA -0.273 4.047 4.320 0.000 0.000 0.217 397 A C 2.156 179.787 177.584 0.080 0.000 1.191 397 A CA 1.776 53.854 52.037 0.069 0.000 0.623 397 A CB -0.529 18.485 19.000 0.022 0.000 0.826 397 A HN 0.466 nan 8.150 nan 0.000 0.444 398 Q N -2.201 117.654 119.800 0.091 0.000 2.119 398 Q HA -0.183 4.157 4.340 0.000 0.000 0.201 398 Q C 1.988 178.074 176.000 0.144 0.000 0.972 398 Q CA 1.610 57.471 55.803 0.097 0.000 0.847 398 Q CB -0.371 28.422 28.738 0.091 0.000 0.903 398 Q HN 0.821 nan 8.270 nan 0.000 0.433 399 Y N 1.522 121.862 120.300 0.067 0.000 2.165 399 Y HA -0.208 4.343 4.550 0.001 0.000 0.286 399 Y C 2.066 177.999 175.900 0.055 0.000 1.155 399 Y CA 1.520 59.659 58.100 0.066 0.000 1.164 399 Y CB 0.067 38.565 38.460 0.063 0.000 0.978 399 Y HN -0.097 nan 8.280 nan 0.000 0.513 400 R N 0.099 120.619 120.500 0.035 0.000 2.092 400 R HA -0.131 4.209 4.340 0.000 0.000 0.231 400 R C 2.049 178.306 176.300 -0.071 0.000 1.119 400 R CA 1.617 57.681 56.100 -0.059 0.000 0.970 400 R CB -0.226 30.086 30.300 0.020 0.000 0.864 400 R HN 0.501 nan 8.270 nan 0.000 0.440 401 E N -0.189 120.003 120.200 -0.013 0.000 2.338 401 E HA -0.097 4.253 4.350 0.000 0.000 0.197 401 E C 1.107 177.728 176.600 0.036 0.000 1.007 401 E CA 0.802 57.206 56.400 0.006 0.000 0.849 401 E CB 0.384 30.103 29.700 0.031 0.000 0.774 401 E HN 0.121 nan 8.360 nan 0.000 0.506 402 V N -0.371 119.559 119.914 0.027 0.000 3.502 402 V HA 0.170 4.290 4.120 0.000 0.000 0.288 402 V C 1.701 177.809 176.094 0.024 0.000 1.461 402 V CA 0.639 63.038 62.300 0.164 0.000 1.029 402 V CB 0.782 32.700 31.823 0.159 0.000 0.843 402 V HN 0.189 nan 8.190 nan 0.000 0.438 403 A N 1.088 123.766 122.820 -0.237 0.000 1.986 403 A HA -0.174 4.146 4.320 0.000 0.000 0.220 403 A C 2.336 179.794 177.584 -0.209 0.000 1.171 403 A CA 2.138 53.934 52.037 -0.401 0.000 0.640 403 A CB -0.460 18.239 19.000 -0.503 0.000 0.811 403 A HN 0.641 nan 8.150 nan 0.000 0.451 404 A N -1.425 121.267 122.820 -0.213 0.000 2.076 404 A HA -0.028 4.293 4.320 0.000 0.000 0.220 404 A C 1.742 179.156 177.584 -0.284 0.000 1.160 404 A CA 1.254 53.124 52.037 -0.278 0.000 0.653 404 A CB -0.753 18.007 19.000 -0.400 0.000 0.801 404 A HN 0.533 nan 8.150 nan 0.000 0.455 405 F N -0.386 119.518 119.950 -0.075 0.000 2.811 405 F HA 0.171 4.698 4.527 -0.000 0.000 0.301 405 F C 2.107 177.885 175.800 -0.037 0.000 1.151 405 F CA 0.391 58.363 58.000 -0.048 0.000 1.412 405 F CB 0.124 39.100 39.000 -0.041 0.000 1.113 405 F HN 0.225 nan 8.300 nan 0.000 0.579 406 A N -0.198 122.673 122.820 0.085 0.000 2.176 406 A HA 0.093 4.413 4.320 0.000 0.000 0.214 406 A C 0.530 178.141 177.584 0.045 0.000 1.327 406 A CA 0.488 52.562 52.037 0.061 0.000 1.015 406 A CB -0.750 18.270 19.000 0.034 0.000 0.818 406 A HN 0.327 nan 8.150 nan 0.000 0.500 411 D N 2.092 122.502 120.400 0.017 0.000 2.460 411 D HA 0.593 5.233 4.640 0.000 0.000 0.268 411 D C -0.991 175.298 176.300 -0.018 0.000 1.153 411 D CA 0.088 54.089 54.000 0.001 0.000 0.929 411 D CB 0.665 41.467 40.800 0.004 0.000 1.015 411 D HN 0.489 nan 8.370 nan 0.000 0.502 412 L N 1.684 122.889 121.223 -0.030 0.000 2.356 412 L HA 0.461 4.801 4.340 0.000 0.000 0.277 412 L C 0.318 177.149 176.870 -0.066 0.000 0.996 412 L CA -1.279 53.521 54.840 -0.067 0.000 0.822 412 L CB 1.566 43.596 42.059 -0.048 0.000 1.256 412 L HN 0.138 nan 8.230 nan 0.000 0.413 413 D N 2.470 122.816 120.400 -0.090 0.000 2.363 413 D HA 0.089 4.729 4.640 0.000 0.000 0.240 413 D C 1.058 177.322 176.300 -0.060 0.000 1.236 413 D CA -0.008 53.951 54.000 -0.070 0.000 0.927 413 D CB 1.355 42.108 40.800 -0.077 0.000 1.150 413 D HN 0.549 nan 8.370 nan 0.000 0.458 414 A N 1.265 124.058 122.820 -0.046 0.000 1.873 414 A HA -0.266 4.054 4.320 0.000 0.000 0.218 414 A C 2.338 179.900 177.584 -0.036 0.000 1.193 414 A CA 3.360 55.374 52.037 -0.037 0.000 0.629 414 A CB -1.310 17.671 19.000 -0.031 0.000 0.826 414 A HN 0.751 nan 8.150 nan 0.000 0.447 415 S N -0.174 115.502 115.700 -0.039 0.000 2.359 415 S HA -0.212 4.258 4.470 0.000 0.000 0.224 415 S C 1.919 176.501 174.600 -0.029 0.000 1.035 415 S CA 2.254 60.436 58.200 -0.030 0.000 1.018 415 S CB -1.639 61.542 63.200 -0.032 0.000 0.876 415 S HN 0.820 nan 8.310 nan 0.000 0.448 416 T N -0.505 114.013 114.554 -0.061 0.000 3.023 416 T HA 0.156 4.507 4.350 0.000 0.000 0.266 416 T C 1.658 176.341 174.700 -0.028 0.000 1.093 416 T CA 0.972 63.031 62.100 -0.070 0.000 1.129 416 T CB -0.245 68.510 68.868 -0.188 0.000 0.899 416 T HN 0.461 nan 8.240 nan 0.000 0.491 417 K N 0.709 121.092 120.400 -0.028 0.000 2.116 417 K HA -0.093 4.227 4.320 0.000 0.000 0.203 417 K C 2.559 179.161 176.600 0.004 0.000 1.052 417 K CA 1.017 57.300 56.287 -0.006 0.000 0.952 417 K CB -0.115 32.375 32.500 -0.017 0.000 0.729 417 K HN 0.271 nan 8.250 nan 0.000 0.446 418 Q N 0.744 120.539 119.800 -0.009 0.000 2.045 418 Q HA -0.152 4.188 4.340 0.000 0.000 0.206 418 Q C 1.570 177.568 176.000 -0.004 0.000 0.991 418 Q CA 2.894 58.684 55.803 -0.021 0.000 0.851 418 Q CB -0.732 27.991 28.738 -0.025 0.000 0.911 418 Q HN 0.304 nan 8.270 nan 0.000 0.418 419 T N 1.012 115.592 114.554 0.044 0.000 2.833 419 T HA -0.084 4.266 4.350 0.000 0.000 0.269 419 T C 1.725 176.532 174.700 0.179 0.000 1.054 419 T CA 1.254 63.419 62.100 0.110 0.000 1.135 419 T CB -0.201 68.754 68.868 0.145 0.000 0.869 419 T HN 0.222 nan 8.240 nan 0.000 0.466 420 L N 0.589 121.911 121.223 0.165 0.000 2.156 420 L HA -0.037 4.304 4.340 0.000 0.000 0.208 420 L C 2.647 179.594 176.870 0.129 0.000 1.095 420 L CA 0.784 55.774 54.840 0.249 0.000 0.770 420 L CB -0.564 41.593 42.059 0.164 0.000 0.914 420 L HN 0.186 nan 8.230 nan 0.000 0.439 421 V N -0.450 119.477 119.914 0.022 0.000 2.307 421 V HA -0.220 3.900 4.120 0.000 0.000 0.245 421 V C 2.692 178.709 176.094 -0.127 0.000 1.045 421 V CA 1.465 63.735 62.300 -0.050 0.000 1.024 421 V CB -0.563 31.219 31.823 -0.067 0.000 0.651 421 V HN 0.400 nan 8.190 nan 0.000 0.449 422 R N 0.364 120.767 120.500 -0.162 0.000 2.070 422 R HA -0.124 4.216 4.340 0.000 0.000 0.233 422 R C 2.494 178.602 176.300 -0.321 0.000 1.137 422 R CA 1.718 57.663 56.100 -0.259 0.000 0.945 422 R CB -1.375 28.730 30.300 -0.327 0.000 0.845 422 R HN 0.570 nan 8.270 nan 0.000 0.430 423 G N 1.298 109.846 108.800 -0.421 0.000 2.553 423 G HA2 -0.324 3.636 3.960 0.000 0.000 0.218 423 G HA3 -0.324 3.636 3.960 0.000 0.000 0.218 423 G C 1.308 175.651 174.900 -0.929 0.000 1.195 423 G CA 1.130 45.585 45.100 -1.075 0.000 0.779 423 G HN 0.397 nan 8.290 nan 0.000 0.577 424 E N -0.047 119.819 120.200 -0.556 0.000 2.035 424 E HA -0.217 4.134 4.350 0.000 0.000 0.204 424 E C 2.761 179.240 176.600 -0.203 0.000 1.025 424 E CA 1.395 57.662 56.400 -0.221 0.000 0.835 424 E CB -0.151 29.513 29.700 -0.060 0.000 0.764 424 E HN 0.305 nan 8.360 nan 0.000 0.457 425 R N 0.261 120.642 120.500 -0.198 0.000 2.083 425 R HA -0.141 4.199 4.340 0.000 0.000 0.237 425 R C 2.500 178.699 176.300 -0.168 0.000 1.137 425 R CA 1.265 57.260 56.100 -0.175 0.000 0.951 425 R CB -0.373 29.809 30.300 -0.197 0.000 0.851 425 R HN 0.164 nan 8.270 nan 0.000 0.434 426 L N -0.326 120.775 121.223 -0.203 0.000 2.083 426 L HA -0.200 4.140 4.340 0.000 0.000 0.209 426 L C 2.279 179.077 176.870 -0.120 0.000 1.083 426 L CA 1.370 56.118 54.840 -0.153 0.000 0.752 426 L CB -0.583 41.381 42.059 -0.158 0.000 0.899 426 L HN 0.290 nan 8.230 nan 0.000 0.433 427 T N -1.271 113.185 114.554 -0.163 0.000 2.674 427 T HA -0.288 4.062 4.350 0.000 0.000 0.265 427 T C 1.841 176.508 174.700 -0.056 0.000 1.039 427 T CA 1.593 63.636 62.100 -0.095 0.000 1.150 427 T CB -0.168 68.647 68.868 -0.088 0.000 0.864 427 T HN 0.210 nan 8.240 nan 0.000 0.427 428 Q N 0.651 120.414 119.800 -0.063 0.000 2.135 428 Q HA 0.008 4.349 4.340 0.000 0.000 0.204 428 Q C 2.114 178.104 176.000 -0.017 0.000 0.981 428 Q CA 1.297 57.078 55.803 -0.036 0.000 0.856 428 Q CB -0.703 28.011 28.738 -0.041 0.000 0.902 428 Q HN 0.475 nan 8.270 nan 0.000 0.425 429 L N -0.380 120.829 121.223 -0.023 0.000 2.127 429 L HA -0.179 4.161 4.340 0.000 0.000 0.211 429 L C 1.735 178.617 176.870 0.020 0.000 1.089 429 L CA 1.080 55.927 54.840 0.012 0.000 0.757 429 L CB -0.191 41.871 42.059 0.004 0.000 0.899 429 L HN 0.369 nan 8.230 nan 0.000 0.434 430 L N -0.873 120.350 121.223 0.001 0.000 2.599 430 L HA -0.025 4.316 4.340 0.000 0.000 0.230 430 L C 0.894 177.762 176.870 -0.003 0.000 1.141 430 L CA 0.103 54.946 54.840 0.006 0.000 0.877 430 L CB -0.297 41.764 42.059 0.004 0.000 1.009 430 L HN 0.113 nan 8.230 nan 0.000 0.447 431 K N 1.505 121.899 120.400 -0.010 0.000 2.401 431 K HA 0.161 4.481 4.320 0.000 0.000 0.278 431 K C -0.120 176.469 176.600 -0.017 0.000 1.018 431 K CA 0.397 56.669 56.287 -0.026 0.000 0.981 431 K CB 0.701 33.185 32.500 -0.027 0.000 0.933 431 K HN 0.037 nan 8.250 nan 0.000 0.477 432 Q N 2.322 122.100 119.800 -0.037 0.000 2.295 432 Q HA 0.177 4.518 4.340 0.000 0.000 0.268 432 Q C -1.403 174.567 176.000 -0.050 0.000 1.010 432 Q CA -0.834 54.952 55.803 -0.028 0.000 0.856 432 Q CB 1.458 30.184 28.738 -0.019 0.000 1.349 432 Q HN 0.478 nan 8.270 nan 0.000 0.412 433 N N 2.252 120.933 118.700 -0.031 0.000 2.479 433 N HA 0.015 4.756 4.740 0.000 0.000 0.257 433 N C -0.664 174.802 175.510 -0.073 0.000 1.232 433 N CA 0.141 53.169 53.050 -0.037 0.000 0.920 433 N CB 0.757 39.248 38.487 0.007 0.000 1.105 433 N HN 0.521 nan 8.380 nan 0.000 0.444 434 Q N 1.236 120.951 119.800 -0.141 0.000 2.421 434 Q HA 0.009 4.349 4.340 0.000 0.000 0.255 434 Q C -0.488 175.348 176.000 -0.273 0.000 1.013 434 Q CA -0.175 55.416 55.803 -0.354 0.000 0.895 434 Q CB 0.218 28.586 28.738 -0.617 0.000 1.271 434 Q HN 0.617 nan 8.270 nan 0.000 0.460 435 Y N 0.170 120.439 120.300 -0.052 0.000 3.389 435 Y HA -0.250 4.301 4.550 0.000 0.000 0.213 435 Y C -0.380 175.497 175.900 -0.038 0.000 1.272 435 Y CA 0.797 58.828 58.100 -0.115 0.000 1.444 435 Y CB -2.423 35.926 38.460 -0.185 0.000 1.445 435 Y HN 0.429 nan 8.280 nan 0.000 0.583 436 S N -0.810 114.927 115.700 0.062 0.000 2.539 436 S HA 0.265 4.735 4.470 0.000 0.000 0.185 436 S C -2.463 172.155 174.600 0.030 0.000 1.181 436 S CA -0.862 57.374 58.200 0.060 0.000 1.216 436 S CB 1.321 64.554 63.200 0.054 0.000 1.476 436 S HN 0.161 nan 8.310 nan 0.000 0.395 437 P HA 0.303 nan 4.420 nan 0.000 0.275 437 P C -0.481 176.830 177.300 0.019 0.000 1.228 437 P CA -0.360 62.755 63.100 0.024 0.000 0.786 437 P CB 0.908 32.629 31.700 0.035 0.000 0.927 438 L N 1.455 122.690 121.223 0.020 0.000 2.360 438 L HA 0.558 4.898 4.340 0.000 0.000 0.271 438 L C 0.965 177.842 176.870 0.010 0.000 1.057 438 L CA -1.110 53.736 54.840 0.010 0.000 0.803 438 L CB 1.259 43.329 42.059 0.019 0.000 1.207 438 L HN 0.413 nan 8.230 nan 0.000 0.445 439 A N 1.169 123.979 122.820 -0.018 0.000 2.386 439 A HA 0.250 4.571 4.320 0.000 0.000 0.248 439 A C 1.163 178.759 177.584 0.020 0.000 1.082 439 A CA -0.182 51.843 52.037 -0.020 0.000 0.789 439 A CB 0.513 19.469 19.000 -0.074 0.000 1.025 439 A HN 0.871 nan 8.150 nan 0.000 0.490 440 T N 0.890 115.479 114.554 0.059 0.000 2.665 440 T HA -0.166 4.185 4.350 0.000 0.000 0.268 440 T C 1.758 176.478 174.700 0.033 0.000 1.035 440 T CA 1.961 64.099 62.100 0.063 0.000 1.151 440 T CB -0.219 68.703 68.868 0.091 0.000 0.862 440 T HN 0.885 nan 8.240 nan 0.000 0.438 441 E N 1.563 121.769 120.200 0.010 0.000 2.409 441 E HA -0.152 4.198 4.350 0.000 0.000 0.198 441 E C 1.454 178.029 176.600 -0.040 0.000 1.024 441 E CA 0.987 57.376 56.400 -0.018 0.000 0.861 441 E CB -0.224 29.455 29.700 -0.036 0.000 0.788 441 E HN 0.621 nan 8.360 nan 0.000 0.521 442 E N 0.700 120.881 120.200 -0.032 0.000 2.140 442 E HA -0.038 4.313 4.350 0.000 0.000 0.191 442 E C 2.199 178.804 176.600 0.008 0.000 0.973 442 E CA 0.323 56.699 56.400 -0.041 0.000 0.829 442 E CB 0.009 29.684 29.700 -0.042 0.000 0.781 442 E HN 0.326 nan 8.360 nan 0.000 0.466 443 Q N 0.766 120.586 119.800 0.033 0.000 2.020 443 Q HA -0.140 4.201 4.340 0.000 0.000 0.202 443 Q C 2.665 178.722 176.000 0.096 0.000 0.982 443 Q CA 1.892 57.734 55.803 0.065 0.000 0.838 443 Q CB -0.324 28.451 28.738 0.061 0.000 0.899 443 Q HN 0.275 nan 8.270 nan 0.000 0.423 444 V N -0.426 119.540 119.914 0.086 0.000 2.407 444 V HA -0.115 4.005 4.120 0.000 0.000 0.248 444 V C -1.020 175.182 176.094 0.180 0.000 1.055 444 V CA 1.375 63.748 62.300 0.121 0.000 1.049 444 V CB -1.597 30.282 31.823 0.094 0.000 0.662 444 V HN 0.154 nan 8.190 nan 0.000 0.455 445 P HA -0.100 nan 4.420 nan 0.000 0.214 445 P C 2.157 179.717 177.300 0.434 0.000 1.163 445 P CA 1.747 64.989 63.100 0.236 0.000 0.883 445 P CB -0.154 31.573 31.700 0.043 0.000 0.788 446 L N -1.294 120.143 121.223 0.357 0.000 2.042 446 L HA -0.195 4.145 4.340 0.000 0.000 0.210 446 L C 2.469 179.500 176.870 0.268 0.000 1.076 446 L CA 1.565 56.630 54.840 0.376 0.000 0.749 446 L CB -0.775 41.445 42.059 0.268 0.000 0.893 446 L HN -0.070 nan 8.230 nan 0.000 0.432 447 I N -1.986 118.711 120.570 0.211 0.000 2.439 447 I HA -0.292 3.878 4.170 0.000 0.000 0.251 447 I C 2.438 178.653 176.117 0.164 0.000 1.139 447 I CA 0.909 62.299 61.300 0.150 0.000 1.438 447 I CB -0.221 37.852 38.000 0.122 0.000 1.085 447 I HN 0.203 nan 8.210 nan 0.000 0.427 448 Y N 1.867 122.247 120.300 0.134 0.000 2.097 448 Y HA -0.333 4.217 4.550 0.001 0.000 0.282 448 Y C 2.591 178.592 175.900 0.168 0.000 1.152 448 Y CA 1.753 59.940 58.100 0.144 0.000 1.136 448 Y CB -0.314 38.241 38.460 0.157 0.000 0.975 448 Y HN 0.123 nan 8.280 nan 0.000 0.498 449 A N 0.236 123.279 122.820 0.372 0.000 1.892 449 A HA -0.180 4.140 4.320 0.000 0.000 0.218 449 A C 2.460 180.050 177.584 0.009 0.000 1.188 449 A CA 2.069 54.261 52.037 0.258 0.000 0.631 449 A CB -1.799 17.302 19.000 0.168 0.000 0.822 449 A HN 0.629 nan 8.150 nan 0.000 0.447 450 G N -0.725 108.054 108.800 -0.034 0.000 2.484 450 G HA2 -0.135 3.825 3.960 0.000 0.000 0.215 450 G HA3 -0.135 3.825 3.960 0.000 0.000 0.215 450 G C 1.545 176.305 174.900 -0.234 0.000 1.219 450 G CA 1.250 46.264 45.100 -0.142 0.000 0.791 450 G HN 0.332 nan 8.290 nan 0.000 0.550 451 V N 1.634 121.436 119.914 -0.188 0.000 2.317 451 V HA -0.225 3.895 4.120 0.000 0.000 0.251 451 V C 2.398 178.261 176.094 -0.385 0.000 1.065 451 V CA 2.100 64.261 62.300 -0.232 0.000 1.049 451 V CB -0.346 31.452 31.823 -0.042 0.000 0.651 451 V HN 0.410 nan 8.190 nan 0.000 0.450 452 N N -0.768 117.686 118.700 -0.410 0.000 2.353 452 N HA 0.095 4.835 4.740 0.000 0.000 0.185 452 N C 1.393 176.575 175.510 -0.547 0.000 1.098 452 N CA 1.063 53.830 53.050 -0.471 0.000 0.872 452 N CB 1.158 39.287 38.487 -0.596 0.000 0.970 452 N HN 0.610 nan 8.380 nan 0.000 0.467 453 G N 0.340 108.832 108.800 -0.514 0.000 2.154 453 G HA2 -0.203 3.757 3.960 0.000 0.000 0.186 453 G HA3 -0.203 3.757 3.960 0.000 0.000 0.186 453 G C 0.312 174.974 174.900 -0.397 0.000 1.000 453 G CA -0.200 44.634 45.100 -0.444 0.000 0.664 453 G HN 0.474 nan 8.290 nan 0.000 0.513 454 H N -0.154 118.795 119.070 -0.202 0.000 2.559 454 H HA 0.330 4.887 4.556 0.000 0.000 0.273 454 H C 2.425 177.581 175.328 -0.287 0.000 1.000 454 H CA 1.030 56.970 56.048 -0.181 0.000 1.195 454 H CB 0.179 29.877 29.762 -0.107 0.000 1.368 454 H HN 0.453 nan 8.280 nan 0.000 0.592 455 L N -0.516 120.550 121.223 -0.261 0.000 2.556 455 L HA 0.025 4.365 4.340 0.000 0.000 0.226 455 L C 1.229 177.935 176.870 -0.275 0.000 1.089 455 L CA 0.037 54.647 54.840 -0.383 0.000 0.864 455 L CB 0.194 42.001 42.059 -0.419 0.000 1.067 455 L HN 0.137 nan 8.230 nan 0.000 0.477 456 D N 1.199 121.463 120.400 -0.227 0.000 2.172 456 D HA -0.185 4.455 4.640 0.000 0.000 0.196 456 D C 2.118 178.332 176.300 -0.144 0.000 0.999 456 D CA 1.658 55.549 54.000 -0.182 0.000 0.856 456 D CB -0.277 40.417 40.800 -0.177 0.000 0.934 456 D HN 0.326 nan 8.370 nan 0.000 0.453 457 G N 0.614 109.332 108.800 -0.137 0.000 2.414 457 G HA2 -0.124 3.836 3.960 0.000 0.000 0.215 457 G HA3 -0.124 3.836 3.960 0.000 0.000 0.215 457 G C 0.694 175.529 174.900 -0.109 0.000 1.188 457 G CA -0.025 45.011 45.100 -0.106 0.000 0.783 457 G HN 0.268 nan 8.290 nan 0.000 0.537 458 I N 2.467 122.949 120.570 -0.146 0.000 2.741 458 I HA 0.042 4.212 4.170 0.000 0.000 0.288 458 I C 0.606 176.657 176.117 -0.110 0.000 1.192 458 I CA -0.169 61.051 61.300 -0.134 0.000 1.426 458 I CB 0.390 38.262 38.000 -0.214 0.000 1.367 458 I HN 0.448 nan 8.210 nan 0.000 0.563 459 E N 5.645 125.803 120.200 -0.069 0.000 2.398 459 E HA 0.003 4.353 4.350 0.000 0.000 0.263 459 E C 0.736 177.309 176.600 -0.046 0.000 1.046 459 E CA -0.710 55.659 56.400 -0.051 0.000 0.908 459 E CB 0.767 30.448 29.700 -0.032 0.000 0.963 459 E HN 0.452 nan 8.360 nan 0.000 0.431 460 L N 3.028 124.227 121.223 -0.041 0.000 2.079 460 L HA -0.210 4.130 4.340 0.000 0.000 0.210 460 L C 2.286 179.146 176.870 -0.017 0.000 1.081 460 L CA 2.508 57.326 54.840 -0.037 0.000 0.752 460 L CB -0.835 41.207 42.059 -0.028 0.000 0.896 460 L HN 0.850 nan 8.230 nan 0.000 0.433 461 S N -1.781 113.915 115.700 -0.005 0.000 2.603 461 S HA -0.066 4.404 4.470 0.000 0.000 0.229 461 S C 1.869 176.481 174.600 0.020 0.000 0.972 461 S CA 0.352 58.556 58.200 0.007 0.000 0.935 461 S CB -0.345 62.860 63.200 0.009 0.000 0.769 461 S HN 0.481 nan 8.310 nan 0.000 0.536 462 R N -0.091 120.422 120.500 0.021 0.000 2.437 462 R HA 0.357 4.697 4.340 0.000 0.000 0.257 462 R C 0.992 177.351 176.300 0.097 0.000 0.927 462 R CA -0.117 56.015 56.100 0.053 0.000 1.078 462 R CB 0.116 30.444 30.300 0.046 0.000 1.161 462 R HN 0.400 nan 8.270 nan 0.000 0.529 463 I N 0.261 120.865 120.570 0.058 0.000 2.567 463 I HA -0.119 4.051 4.170 0.000 0.000 0.257 463 I C 2.144 178.360 176.117 0.164 0.000 1.184 463 I CA 1.191 62.541 61.300 0.083 0.000 1.451 463 I CB -1.334 36.657 38.000 -0.016 0.000 1.089 463 I HN 0.160 nan 8.210 nan 0.000 0.441 464 G N 1.925 110.793 108.800 0.113 0.000 2.524 464 G HA2 -0.272 3.688 3.960 0.000 0.000 0.215 464 G HA3 -0.272 3.688 3.960 0.000 0.000 0.215 464 G C 1.468 176.450 174.900 0.137 0.000 1.239 464 G CA 0.838 46.001 45.100 0.106 0.000 0.798 464 G HN 0.598 nan 8.290 nan 0.000 0.557 465 E N -0.456 119.822 120.200 0.130 0.000 2.265 465 E HA -0.143 4.207 4.350 0.000 0.000 0.196 465 E C 2.036 178.746 176.600 0.184 0.000 0.996 465 E CA 0.741 57.219 56.400 0.129 0.000 0.832 465 E CB -0.383 29.379 29.700 0.104 0.000 0.756 465 E HN 0.428 nan 8.360 nan 0.000 0.491 466 F N 2.345 122.360 119.950 0.109 0.000 2.031 466 F HA -0.194 4.333 4.527 0.001 0.000 0.295 466 F C 2.430 178.349 175.800 0.198 0.000 1.133 466 F CA 2.304 60.404 58.000 0.168 0.000 1.188 466 F CB -0.405 38.650 39.000 0.092 0.000 0.974 466 F HN 0.064 nan 8.300 nan 0.000 0.473 467 E N -0.373 120.012 120.200 0.308 0.000 2.086 467 E HA -0.300 4.050 4.350 0.000 0.000 0.200 467 E C 2.339 178.963 176.600 0.040 0.000 1.012 467 E CA 1.739 58.253 56.400 0.190 0.000 0.812 467 E CB -0.561 29.266 29.700 0.210 0.000 0.743 467 E HN 0.456 nan 8.360 nan 0.000 0.453 468 S N -0.453 115.278 115.700 0.051 0.000 2.351 468 S HA -0.165 4.306 4.470 0.000 0.000 0.220 468 S C 2.126 176.717 174.600 -0.016 0.000 1.035 468 S CA 1.790 60.004 58.200 0.024 0.000 1.031 468 S CB -0.308 62.921 63.200 0.049 0.000 0.928 468 S HN 0.390 nan 8.310 nan 0.000 0.433 469 S N 0.754 116.458 115.700 0.007 0.000 2.383 469 S HA -0.013 4.457 4.470 0.000 0.000 0.227 469 S C 1.497 175.969 174.600 -0.214 0.000 1.026 469 S CA 0.963 59.179 58.200 0.027 0.000 0.981 469 S CB -0.531 62.817 63.200 0.247 0.000 0.818 469 S HN 0.604 nan 8.310 nan 0.000 0.472 470 F N 2.786 122.303 119.950 -0.722 0.000 2.171 470 F HA -0.038 4.489 4.527 0.000 0.000 0.300 470 F C 1.684 177.140 175.800 -0.574 0.000 1.090 470 F CA 0.943 58.196 58.000 -1.244 0.000 1.293 470 F CB -0.614 37.632 39.000 -1.256 0.000 1.013 470 F HN 0.102 nan 8.300 nan 0.000 0.486 471 L N -0.327 120.653 121.223 -0.404 0.000 2.027 471 L HA -0.196 4.144 4.340 0.000 0.000 0.206 471 L C 2.623 179.339 176.870 -0.257 0.000 1.074 471 L CA 1.504 56.132 54.840 -0.352 0.000 0.745 471 L CB -1.208 40.738 42.059 -0.188 0.000 0.898 471 L HN 0.188 nan 8.230 nan 0.000 0.433 472 S N -0.926 114.676 115.700 -0.163 0.000 2.402 472 S HA -0.248 4.222 4.470 0.000 0.000 0.229 472 S C 1.951 176.503 174.600 -0.080 0.000 1.021 472 S CA 0.953 59.095 58.200 -0.097 0.000 0.974 472 S CB -0.802 62.375 63.200 -0.037 0.000 0.800 472 S HN 0.505 nan 8.310 nan 0.000 0.484 473 Y N 2.231 122.395 120.300 -0.227 0.000 2.263 473 Y HA 0.153 4.704 4.550 0.000 0.000 0.292 473 Y C 1.895 177.700 175.900 -0.160 0.000 1.130 473 Y CA 0.924 58.928 58.100 -0.160 0.000 1.179 473 Y CB -0.327 38.023 38.460 -0.184 0.000 0.998 473 Y HN 0.156 nan 8.280 nan 0.000 0.532 474 L N 0.217 121.255 121.223 -0.308 0.000 2.093 474 L HA -0.197 4.143 4.340 0.000 0.000 0.208 474 L C 2.318 179.036 176.870 -0.253 0.000 1.085 474 L CA 1.594 56.235 54.840 -0.333 0.000 0.755 474 L CB -0.402 41.367 42.059 -0.483 0.000 0.904 474 L HN 0.182 nan 8.230 nan 0.000 0.435 475 K N -0.549 119.715 120.400 -0.227 0.000 2.057 475 K HA -0.081 4.239 4.320 0.000 0.000 0.206 475 K C 2.273 178.766 176.600 -0.178 0.000 1.050 475 K CA 1.459 57.642 56.287 -0.174 0.000 0.935 475 K CB -0.113 32.303 32.500 -0.139 0.000 0.715 475 K HN 0.131 nan 8.250 nan 0.000 0.439 476 S N 1.236 116.819 115.700 -0.196 0.000 2.359 476 S HA -0.089 4.381 4.470 0.000 0.000 0.224 476 S C 1.419 175.860 174.600 -0.264 0.000 1.035 476 S CA 1.343 59.427 58.200 -0.192 0.000 1.018 476 S CB -0.137 62.967 63.200 -0.160 0.000 0.876 476 S HN 0.327 nan 8.310 nan 0.000 0.448 477 N N -0.734 117.718 118.700 -0.414 0.000 2.210 477 N HA 0.096 4.836 4.740 0.000 0.000 0.203 477 N C -0.169 174.906 175.510 -0.726 0.000 1.175 477 N CA 0.269 52.972 53.050 -0.577 0.000 0.894 477 N CB 0.523 38.536 38.487 -0.790 0.000 1.041 477 N HN 0.410 nan 8.380 nan 0.000 0.506 478 H N -0.344 118.542 119.070 -0.306 0.000 2.750 478 H HA 0.206 4.762 4.556 0.000 0.000 0.239 478 H C 0.556 175.773 175.328 -0.186 0.000 1.210 478 H CA -0.226 55.687 56.048 -0.224 0.000 0.936 478 H CB 0.415 30.036 29.762 -0.235 0.000 2.074 478 H HN 0.093 nan 8.280 nan 0.000 0.622 479 N N 1.438 120.074 118.700 -0.107 0.000 2.192 479 N HA -0.165 4.575 4.740 0.000 0.000 0.188 479 N C 1.690 177.157 175.510 -0.072 0.000 1.013 479 N CA 1.430 54.421 53.050 -0.098 0.000 0.863 479 N CB 0.361 38.785 38.487 -0.105 0.000 0.990 479 N HN 0.462 nan 8.380 nan 0.000 0.430 480 E N -0.015 120.149 120.200 -0.059 0.000 2.085 480 E HA -0.188 4.162 4.350 0.000 0.000 0.194 480 E C 2.024 178.601 176.600 -0.037 0.000 0.994 480 E CA 1.293 57.667 56.400 -0.044 0.000 0.801 480 E CB -0.285 29.393 29.700 -0.037 0.000 0.743 480 E HN 0.527 nan 8.360 nan 0.000 0.453 481 L N 0.599 121.803 121.223 -0.031 0.000 2.027 481 L HA -0.144 4.196 4.340 0.000 0.000 0.206 481 L C 2.674 179.509 176.870 -0.059 0.000 1.074 481 L CA 0.969 55.782 54.840 -0.045 0.000 0.745 481 L CB -0.957 41.065 42.059 -0.062 0.000 0.898 481 L HN 0.049 nan 8.230 nan 0.000 0.433 482 L N 0.133 121.311 121.223 -0.075 0.000 1.997 482 L HA -0.234 4.106 4.340 0.000 0.000 0.216 482 L C 2.787 179.622 176.870 -0.058 0.000 1.074 482 L CA 2.027 56.820 54.840 -0.080 0.000 0.763 482 L CB -1.481 40.517 42.059 -0.101 0.000 0.890 482 L HN 0.347 nan 8.230 nan 0.000 0.434 483 T N -1.097 113.424 114.554 -0.055 0.000 2.720 483 T HA -0.255 4.095 4.350 0.000 0.000 0.268 483 T C 1.812 176.494 174.700 -0.029 0.000 1.037 483 T CA 1.657 63.731 62.100 -0.043 0.000 1.144 483 T CB -0.191 68.651 68.868 -0.044 0.000 0.864 483 T HN 0.386 nan 8.240 nan 0.000 0.444 484 E N 0.354 120.537 120.200 -0.028 0.000 2.072 484 E HA -0.071 4.279 4.350 0.000 0.000 0.191 484 E C 2.180 178.772 176.600 -0.013 0.000 0.985 484 E CA 0.696 57.084 56.400 -0.019 0.000 0.801 484 E CB -0.161 29.528 29.700 -0.020 0.000 0.750 484 E HN 0.492 nan 8.360 nan 0.000 0.452 485 I N 0.702 121.261 120.570 -0.019 0.000 2.099 485 I HA -0.325 3.845 4.170 0.000 0.000 0.239 485 I C 2.865 178.985 176.117 0.004 0.000 1.066 485 I CA 1.415 62.710 61.300 -0.009 0.000 1.324 485 I CB -0.416 37.574 38.000 -0.018 0.000 1.037 485 I HN 0.101 nan 8.210 nan 0.000 0.401 486 R N 1.002 121.500 120.500 -0.003 0.000 2.103 486 R HA -0.231 4.109 4.340 0.000 0.000 0.242 486 R C 2.045 178.361 176.300 0.027 0.000 1.142 486 R CA 2.060 58.166 56.100 0.011 0.000 0.960 486 R CB -0.084 30.206 30.300 -0.016 0.000 0.858 486 R HN 0.430 nan 8.270 nan 0.000 0.439 487 E N -0.750 119.458 120.200 0.013 0.000 2.166 487 E HA -0.016 4.334 4.350 0.000 0.000 0.192 487 E C 1.647 178.259 176.600 0.020 0.000 0.967 487 E CA 0.678 57.089 56.400 0.018 0.000 0.840 487 E CB 0.382 30.085 29.700 0.006 0.000 0.795 487 E HN 0.228 nan 8.360 nan 0.000 0.470 488 K N -0.762 119.647 120.400 0.014 0.000 2.361 488 K HA 0.104 4.424 4.320 0.000 0.000 0.194 488 K C 1.184 177.795 176.600 0.018 0.000 1.032 488 K CA 0.561 56.856 56.287 0.014 0.000 1.048 488 K CB 0.970 33.475 32.500 0.009 0.000 0.842 488 K HN 0.233 nan 8.250 nan 0.000 0.526 489 G N 1.963 110.776 108.800 0.021 0.000 2.322 489 G HA2 -0.324 3.636 3.960 0.000 0.000 0.264 489 G HA3 -0.324 3.636 3.960 0.000 0.000 0.264 489 G C 0.126 175.040 174.900 0.023 0.000 0.992 489 G CA 0.890 46.005 45.100 0.025 0.000 0.624 489 G HN 0.405 nan 8.290 nan 0.000 0.543 490 E N -0.828 119.384 120.200 0.019 0.000 2.254 490 E HA 0.732 5.082 4.350 0.000 0.000 0.258 490 E C -0.147 176.464 176.600 0.019 0.000 1.033 490 E CA -0.879 55.534 56.400 0.021 0.000 0.893 490 E CB 1.100 30.811 29.700 0.019 0.000 1.204 490 E HN 0.196 nan 8.360 nan 0.000 0.425 491 L N 1.721 122.958 121.223 0.024 0.000 2.343 491 L HA 0.275 4.615 4.340 0.000 0.000 0.278 491 L C -0.097 176.785 176.870 0.021 0.000 0.996 491 L CA -0.698 54.153 54.840 0.020 0.000 0.831 491 L CB 1.584 43.663 42.059 0.032 0.000 1.232 491 L HN 0.517 nan 8.230 nan 0.000 0.413 492 S N 1.436 117.143 115.700 0.012 0.000 2.603 492 S HA 0.252 4.722 4.470 0.000 0.000 0.268 492 S C 0.910 175.520 174.600 0.017 0.000 1.317 492 S CA -0.716 57.492 58.200 0.014 0.000 1.012 492 S CB 1.757 64.962 63.200 0.008 0.000 0.926 492 S HN 0.608 nan 8.310 nan 0.000 0.539 493 K N 0.793 121.206 120.400 0.022 0.000 2.113 493 K HA -0.169 4.151 4.320 0.000 0.000 0.208 493 K C 1.926 178.538 176.600 0.020 0.000 1.047 493 K CA 1.937 58.240 56.287 0.027 0.000 0.928 493 K CB -0.229 32.288 32.500 0.028 0.000 0.716 493 K HN 0.679 nan 8.250 nan 0.000 0.446 494 E N 0.621 120.828 120.200 0.012 0.000 2.051 494 E HA -0.159 4.191 4.350 0.000 0.000 0.192 494 E C 1.833 178.430 176.600 -0.006 0.000 0.991 494 E CA 0.897 57.301 56.400 0.006 0.000 0.799 494 E CB -0.115 29.587 29.700 0.005 0.000 0.748 494 E HN 0.196 nan 8.360 nan 0.000 0.449 495 L N 0.177 121.392 121.223 -0.014 0.000 2.017 495 L HA -0.192 4.148 4.340 0.000 0.000 0.208 495 L C 2.217 179.042 176.870 -0.074 0.000 1.073 495 L CA 0.983 55.799 54.840 -0.040 0.000 0.745 495 L CB -0.250 41.788 42.059 -0.036 0.000 0.894 495 L HN 0.218 nan 8.230 nan 0.000 0.432 496 L N -0.682 120.512 121.223 -0.048 0.000 2.043 496 L HA -0.276 4.064 4.340 0.000 0.000 0.212 496 L C 2.810 179.641 176.870 -0.065 0.000 1.075 496 L CA 1.422 56.225 54.840 -0.062 0.000 0.752 496 L CB -0.800 41.296 42.059 0.062 0.000 0.891 496 L HN 0.306 nan 8.230 nan 0.000 0.432 497 A N -0.777 122.038 122.820 -0.008 0.000 1.902 497 A HA -0.192 4.128 4.320 0.000 0.000 0.217 497 A C 2.477 180.048 177.584 -0.021 0.000 1.181 497 A CA 2.108 54.151 52.037 0.010 0.000 0.623 497 A CB -0.560 18.454 19.000 0.023 0.000 0.818 497 A HN 0.407 nan 8.150 nan 0.000 0.443 498 S N -0.754 114.919 115.700 -0.046 0.000 2.402 498 S HA -0.066 4.404 4.470 0.000 0.000 0.229 498 S C 1.755 176.285 174.600 -0.117 0.000 1.021 498 S CA 1.252 59.421 58.200 -0.051 0.000 0.974 498 S CB -0.254 62.922 63.200 -0.040 0.000 0.800 498 S HN 0.401 nan 8.310 nan 0.000 0.484 499 L N 1.772 122.876 121.223 -0.198 0.000 2.131 499 L HA 0.154 4.494 4.340 0.000 0.000 0.206 499 L C 2.169 178.867 176.870 -0.288 0.000 1.087 499 L CA 1.590 56.233 54.840 -0.329 0.000 0.767 499 L CB -0.446 41.262 42.059 -0.585 0.000 0.917 499 L HN 0.113 nan 8.230 nan 0.000 0.441 500 K N -1.604 118.684 120.400 -0.185 0.000 2.097 500 K HA -0.168 4.153 4.320 0.000 0.000 0.206 500 K C 2.338 178.949 176.600 0.018 0.000 1.049 500 K CA 1.501 57.828 56.287 0.067 0.000 0.933 500 K CB -0.117 32.502 32.500 0.199 0.000 0.717 500 K HN 0.288 nan 8.250 nan 0.000 0.442 501 S N -0.341 115.359 115.700 0.000 0.000 2.371 501 S HA -0.031 4.439 4.470 0.000 0.000 0.224 501 S C 1.932 176.545 174.600 0.022 0.000 1.029 501 S CA 0.991 59.206 58.200 0.025 0.000 0.978 501 S CB -0.245 62.980 63.200 0.042 0.000 0.833 501 S HN 0.459 nan 8.310 nan 0.000 0.466 502 A N 0.653 123.443 122.820 -0.050 0.000 1.940 502 A HA -0.076 4.244 4.320 0.000 0.000 0.219 502 A C 2.317 179.979 177.584 0.130 0.000 1.176 502 A CA 2.323 54.292 52.037 -0.113 0.000 0.631 502 A CB -1.481 17.206 19.000 -0.522 0.000 0.814 502 A HN 0.590 nan 8.150 nan 0.000 0.446 503 T N -0.109 114.500 114.554 0.092 0.000 2.701 503 T HA -0.117 4.233 4.350 0.000 0.000 0.263 503 T C 1.779 176.451 174.700 -0.047 0.000 1.040 503 T CA 1.588 63.729 62.100 0.069 0.000 1.147 503 T CB -0.275 68.514 68.868 -0.132 0.000 0.865 503 T HN 0.656 nan 8.240 nan 0.000 0.426 504 E N 1.001 121.128 120.200 -0.122 0.000 2.110 504 E HA -0.119 4.231 4.350 0.000 0.000 0.193 504 E C 2.458 179.072 176.600 0.023 0.000 0.988 504 E CA 1.121 57.492 56.400 -0.048 0.000 0.804 504 E CB -0.183 29.520 29.700 0.004 0.000 0.745 504 E HN 0.367 nan 8.360 nan 0.000 0.458 505 S N 0.417 116.161 115.700 0.075 0.000 2.359 505 S HA -0.231 4.239 4.470 0.000 0.000 0.223 505 S C 1.817 176.450 174.600 0.055 0.000 1.039 505 S CA 1.376 59.644 58.200 0.113 0.000 1.042 505 S CB -0.336 63.005 63.200 0.234 0.000 0.915 505 S HN 0.369 nan 8.310 nan 0.000 0.439 506 F N 1.797 121.665 119.950 -0.136 0.000 2.163 506 F HA 0.049 4.576 4.527 0.000 0.000 0.297 506 F C 2.175 177.869 175.800 -0.177 0.000 1.094 506 F CA 1.289 59.076 58.000 -0.356 0.000 1.290 506 F CB -0.647 38.085 39.000 -0.447 0.000 1.017 506 F HN 0.081 nan 8.300 nan 0.000 0.483 507 V N 0.851 120.715 119.914 -0.083 0.000 2.282 507 V HA -0.377 3.743 4.120 0.000 0.000 0.249 507 V C 2.798 178.789 176.094 -0.171 0.000 1.057 507 V CA 2.007 64.249 62.300 -0.097 0.000 1.032 507 V CB -1.573 30.253 31.823 0.006 0.000 0.645 507 V HN 0.496 nan 8.190 nan 0.000 0.447 508 A N -1.643 121.106 122.820 -0.118 0.000 1.986 508 A HA -0.193 4.128 4.320 0.000 0.000 0.220 508 A C 1.742 179.239 177.584 -0.144 0.000 1.171 508 A CA 2.410 54.388 52.037 -0.097 0.000 0.640 508 A CB -0.452 18.519 19.000 -0.048 0.000 0.811 508 A HN 0.534 nan 8.150 nan 0.000 0.451 509 T N 0.000 114.409 114.554 -0.241 0.000 3.816 509 T HA 0.000 4.350 4.350 0.000 0.000 0.228 509 T CA 0.000 61.933 62.100 -0.279 0.000 1.349 509 T CB 0.000 68.732 68.868 -0.226 0.000 0.612 509 T HN 0.000 nan 8.240 nan 0.000 0.658