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 2wtr_1_A DATA FIRST_RESID 4 DATA SEQUENCE KGTRVFKKAS PNGKLTVYLG KRDFVDHIDL VEPVDGVVLV DPEYLKERRV DATA SEQUENCE YVTLTCAFRY GREDLDVLGL TFRKDLFVAN VQSFPPAPED KKPLTRLQER DATA SEQUENCE LIKKLGEHAY PFTFEIPPNL PCSVTLQPGP EDTGKACGVD YEVKAFCAEN DATA SEQUENCE LEEKIHKRNS VRLVIRKVQY APERXXPQPT AETTRQFLMS DKPLHLEASL DATA SEQUENCE DKEIYYHGEP ISVNVHVTNN TNKTVKKIKI SVRQYADICL FNTAQYKCPV DATA SEQUENCE AMEEADDTVA PSSTFCKVYT LTPFLANNRE KRGLALDGKL KHEDTNLASS DATA SEQUENCE TLLREGANRE ILGIIVSYKV KVKLVVSXXX XXXXXXXSDV AVELPFTLMH DATA SEQUENCE PKPKXXXXXX XXXXXXXXXX XXXXXXXXXX DDIVFEDFAR QRLK 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 4 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.572 176.600 -0.047 0.000 0.988 4 K CA 0.000 56.264 56.287 -0.038 0.000 0.838 4 K CB 0.000 32.480 32.500 -0.033 0.000 1.064 5 G N -0.279 108.488 108.800 -0.056 0.000 2.548 5 G HA2 0.461 4.406 3.960 -0.025 0.000 0.301 5 G HA3 0.461 4.406 3.960 -0.025 0.000 0.301 5 G C -1.351 173.500 174.900 -0.082 0.000 1.349 5 G CA -0.372 44.685 45.100 -0.072 0.000 0.792 5 G HN -0.123 nan 8.290 nan 0.000 0.481 6 T N 0.779 115.271 114.554 -0.104 0.000 3.009 6 T HA 0.440 4.775 4.350 -0.025 0.000 0.346 6 T C 0.057 174.662 174.700 -0.158 0.000 1.092 6 T CA -0.532 61.501 62.100 -0.112 0.000 1.080 6 T CB 0.887 69.697 68.868 -0.096 0.000 1.037 6 T HN 0.611 nan 8.240 nan 0.000 0.487 7 R N 2.587 122.979 120.500 -0.181 0.000 2.500 7 R HA 0.741 5.066 4.340 -0.025 0.000 0.277 7 R C -0.694 175.435 176.300 -0.285 0.000 1.026 7 R CA -0.546 55.395 56.100 -0.264 0.000 1.058 7 R CB 0.813 30.919 30.300 -0.324 0.000 1.078 7 R HN 0.460 nan 8.270 nan 0.000 0.509 8 V N 0.666 120.418 119.914 -0.269 0.000 2.733 8 V HA 0.519 4.624 4.120 -0.025 0.000 0.306 8 V C -0.853 175.238 176.094 -0.005 0.000 1.084 8 V CA -1.117 61.127 62.300 -0.093 0.000 0.905 8 V CB 1.287 33.195 31.823 0.142 0.000 1.010 8 V HN 0.613 nan 8.190 nan 0.000 0.424 9 F N 3.152 123.274 119.950 0.287 0.000 2.378 9 F HA 0.816 5.328 4.527 -0.025 0.000 0.319 9 F C 0.672 176.649 175.800 0.295 0.000 1.155 9 F CA -0.114 58.072 58.000 0.310 0.000 1.157 9 F CB 1.153 40.376 39.000 0.372 0.000 1.252 9 F HN 0.829 nan 8.300 nan 0.000 0.550 10 K N 0.330 120.943 120.400 0.355 0.000 2.575 10 K HA 0.652 4.958 4.320 -0.025 0.000 0.279 10 K C -1.882 174.692 176.600 -0.045 0.000 0.969 10 K CA -1.290 54.959 56.287 -0.065 0.000 0.868 10 K CB 2.537 34.743 32.500 -0.491 0.000 1.457 10 K HN 0.608 nan 8.250 nan 0.000 0.426 11 K N 1.435 121.721 120.400 -0.190 0.000 2.616 11 K HA 0.478 4.783 4.320 -0.025 0.000 0.255 11 K C -1.720 174.794 176.600 -0.144 0.000 0.995 11 K CA -0.488 55.732 56.287 -0.111 0.000 0.860 11 K CB 2.022 34.480 32.500 -0.069 0.000 1.264 11 K HN 0.838 nan 8.250 nan 0.000 0.451 12 A N 2.251 125.004 122.820 -0.113 0.000 2.293 12 A HA 0.550 4.856 4.320 -0.025 0.000 0.302 12 A C 0.037 177.595 177.584 -0.043 0.000 1.119 12 A CA -0.401 51.586 52.037 -0.083 0.000 0.823 12 A CB 0.641 19.598 19.000 -0.071 0.000 1.097 12 A HN 0.842 nan 8.150 nan 0.000 0.491 13 S N 1.766 117.451 115.700 -0.026 0.000 2.587 13 S HA 0.180 4.635 4.470 -0.025 0.000 0.260 13 S C -1.819 172.780 174.600 -0.002 0.000 1.353 13 S CA -0.325 57.872 58.200 -0.006 0.000 0.995 13 S CB -0.340 62.868 63.200 0.012 0.000 0.912 13 S HN 0.495 nan 8.310 nan 0.000 0.568 14 P HA -0.208 nan 4.420 nan 0.000 0.216 14 P C 1.135 178.441 177.300 0.009 0.000 1.157 14 P CA 1.937 65.041 63.100 0.008 0.000 0.880 14 P CB -0.300 31.408 31.700 0.014 0.000 0.791 15 N N -2.038 116.671 118.700 0.015 0.000 2.158 15 N HA 0.009 4.734 4.740 -0.025 0.000 0.190 15 N C 1.533 177.043 175.510 0.000 0.000 1.060 15 N CA 1.326 54.382 53.050 0.010 0.000 0.872 15 N CB -0.740 37.756 38.487 0.013 0.000 1.055 15 N HN 0.164 nan 8.380 nan 0.000 0.452 16 G N -1.019 107.779 108.800 -0.003 0.000 4.248 16 G HA2 -0.036 3.909 3.960 -0.025 0.000 0.218 16 G HA3 -0.036 3.909 3.960 -0.025 0.000 0.218 16 G C 0.832 175.725 174.900 -0.011 0.000 0.790 16 G CA -0.198 44.896 45.100 -0.009 0.000 0.844 16 G HN 0.061 nan 8.290 nan 0.000 0.588 17 K N -0.096 120.296 120.400 -0.013 0.000 2.032 17 K HA 0.161 4.466 4.320 -0.025 0.000 0.209 17 K C 0.861 177.452 176.600 -0.015 0.000 1.048 17 K CA 0.758 57.031 56.287 -0.023 0.000 0.927 17 K CB -0.274 32.210 32.500 -0.027 0.000 0.712 17 K HN 0.339 nan 8.250 nan 0.000 0.441 18 L N 0.200 121.420 121.223 -0.004 0.000 2.325 18 L HA 0.325 4.651 4.340 -0.025 0.000 0.279 18 L C -0.895 175.976 176.870 0.002 0.000 1.054 18 L CA 0.359 55.203 54.840 0.005 0.000 0.804 18 L CB 1.852 43.917 42.059 0.010 0.000 1.200 18 L HN 0.020 nan 8.230 nan 0.000 0.436 19 T N 3.311 117.879 114.554 0.024 0.000 3.293 19 T HA 0.433 4.768 4.350 -0.025 0.000 0.320 19 T C -0.836 173.861 174.700 -0.005 0.000 0.995 19 T CA -0.463 61.616 62.100 -0.034 0.000 1.041 19 T CB 1.286 70.142 68.868 -0.020 0.000 1.058 19 T HN 0.221 nan 8.240 nan 0.000 0.453 20 V N 3.596 123.447 119.914 -0.105 0.000 2.644 20 V HA 0.594 4.699 4.120 -0.025 0.000 0.295 20 V C -1.018 174.993 176.094 -0.138 0.000 1.053 20 V CA -0.591 61.728 62.300 0.033 0.000 0.987 20 V CB 0.911 32.756 31.823 0.038 0.000 1.006 20 V HN 0.812 nan 8.190 nan 0.000 0.472 21 Y N 3.671 124.116 120.300 0.243 0.000 2.442 21 Y HA 0.775 5.310 4.550 -0.025 0.000 0.344 21 Y C -0.296 175.773 175.900 0.282 0.000 0.976 21 Y CA -0.723 57.523 58.100 0.245 0.000 1.040 21 Y CB 1.880 40.465 38.460 0.209 0.000 1.228 21 Y HN 0.369 nan 8.280 nan 0.000 0.451 22 L N 0.851 122.357 121.223 0.471 0.000 2.434 22 L HA 0.497 4.822 4.340 -0.025 0.000 0.260 22 L C 0.971 178.117 176.870 0.460 0.000 0.983 22 L CA -0.786 54.323 54.840 0.449 0.000 0.820 22 L CB 2.515 44.881 42.059 0.512 0.000 1.361 22 L HN 0.889 nan 8.230 nan 0.000 0.410 23 G N 1.454 110.460 108.800 0.344 0.000 2.443 23 G HA2 -0.039 3.907 3.960 -0.025 0.000 0.219 23 G HA3 -0.039 3.907 3.960 -0.025 0.000 0.219 23 G C 0.270 175.355 174.900 0.309 0.000 1.131 23 G CA 0.692 45.938 45.100 0.242 0.000 0.775 23 G HN 0.653 nan 8.290 nan 0.000 0.547 24 K N -1.877 118.710 120.400 0.312 0.000 2.610 24 K HA 0.413 4.719 4.320 -0.025 0.000 0.278 24 K C 0.184 176.684 176.600 -0.167 0.000 0.964 24 K CA -0.976 55.410 56.287 0.165 0.000 0.859 24 K CB 1.174 33.604 32.500 -0.117 0.000 1.434 24 K HN -0.088 nan 8.250 nan 0.000 0.410 25 R N 0.389 120.634 120.500 -0.425 0.000 2.061 25 R HA -0.007 4.318 4.340 -0.025 0.000 0.230 25 R C -0.138 176.037 176.300 -0.208 0.000 1.140 25 R CA 1.371 57.287 56.100 -0.307 0.000 0.940 25 R CB -0.252 29.612 30.300 -0.728 0.000 0.839 25 R HN 0.603 nan 8.270 nan 0.000 0.429 26 D N -0.395 119.788 120.400 -0.362 0.000 2.358 26 D HA 0.212 4.837 4.640 -0.025 0.000 0.244 26 D C -0.670 175.291 176.300 -0.566 0.000 1.163 26 D CA 0.359 54.189 54.000 -0.283 0.000 0.945 26 D CB 0.593 41.242 40.800 -0.251 0.000 1.152 26 D HN -0.086 nan 8.370 nan 0.000 0.451 27 F N -0.210 119.683 119.950 -0.095 0.000 2.653 27 F HA 0.186 4.698 4.527 -0.025 0.000 0.327 27 F C -0.293 175.432 175.800 -0.126 0.000 1.195 27 F CA -1.060 56.892 58.000 -0.080 0.000 0.993 27 F CB 1.388 40.349 39.000 -0.065 0.000 1.259 27 F HN -0.089 nan 8.300 nan 0.000 0.478 28 V N 2.274 122.192 119.914 0.006 0.000 2.521 28 V HA 0.035 4.140 4.120 -0.025 0.000 0.286 28 V C -0.178 175.829 176.094 -0.146 0.000 1.034 28 V CA 0.091 62.308 62.300 -0.138 0.000 1.045 28 V CB 0.909 32.561 31.823 -0.285 0.000 0.974 28 V HN 0.590 nan 8.190 nan 0.000 0.480 29 D N 3.197 123.518 120.400 -0.132 0.000 2.396 29 D HA 0.172 4.797 4.640 -0.025 0.000 0.225 29 D C 0.799 177.061 176.300 -0.063 0.000 1.121 29 D CA -0.297 53.668 54.000 -0.058 0.000 0.853 29 D CB 0.410 41.200 40.800 -0.017 0.000 1.043 29 D HN 0.577 nan 8.370 nan 0.000 0.500 30 H N 5.099 124.234 119.070 0.108 0.000 2.566 30 H HA 0.113 4.654 4.556 -0.025 0.000 0.280 30 H C 1.358 176.733 175.328 0.079 0.000 1.042 30 H CA 0.148 56.272 56.048 0.126 0.000 1.168 30 H CB 0.312 30.147 29.762 0.122 0.000 1.340 30 H HN 0.563 nan 8.280 nan 0.000 0.597 31 I N -0.484 120.165 120.570 0.132 0.000 4.381 31 I HA -0.496 3.660 4.170 -0.025 0.000 0.070 31 I C 1.861 178.030 176.117 0.087 0.000 0.586 31 I CA 2.013 63.367 61.300 0.090 0.000 1.055 31 I CB -0.811 37.232 38.000 0.072 0.000 0.943 31 I HN 0.265 nan 8.210 nan 0.000 0.171 32 D N 1.538 122.002 120.400 0.106 0.000 2.234 32 D HA 0.119 4.744 4.640 -0.025 0.000 0.205 32 D C 0.493 176.842 176.300 0.081 0.000 0.962 32 D CA 1.506 55.554 54.000 0.080 0.000 0.855 32 D CB 0.280 41.121 40.800 0.069 0.000 0.951 32 D HN 0.539 nan 8.370 nan 0.000 0.500 33 L N -3.013 118.281 121.223 0.120 0.000 2.591 33 L HA 0.498 4.823 4.340 -0.025 0.000 0.257 33 L C -1.421 175.545 176.870 0.161 0.000 0.935 33 L CA -1.095 53.811 54.840 0.110 0.000 0.873 33 L CB 1.776 43.887 42.059 0.086 0.000 1.397 33 L HN -0.399 nan 8.230 nan 0.000 0.414 34 V N 0.926 120.901 119.914 0.102 0.000 2.539 34 V HA 0.366 4.471 4.120 -0.025 0.000 0.292 34 V C 0.335 176.507 176.094 0.131 0.000 1.045 34 V CA -0.494 61.863 62.300 0.095 0.000 0.945 34 V CB 1.448 33.270 31.823 -0.002 0.000 0.993 34 V HN 0.831 nan 8.190 nan 0.000 0.464 35 E N 4.169 124.480 120.200 0.185 0.000 2.414 35 E HA 0.149 4.484 4.350 -0.025 0.000 0.263 35 E C -2.358 174.339 176.600 0.161 0.000 1.000 35 E CA -1.252 55.277 56.400 0.215 0.000 0.914 35 E CB 0.230 30.106 29.700 0.293 0.000 0.948 35 E HN 0.496 nan 8.360 nan 0.000 0.444 36 P HA -0.023 nan 4.420 nan 0.000 0.268 36 P C -0.776 176.560 177.300 0.060 0.000 1.205 36 P CA -0.137 63.010 63.100 0.078 0.000 0.771 36 P CB 0.519 32.262 31.700 0.072 0.000 0.858 37 V N 4.016 123.896 119.914 -0.056 0.000 2.338 37 V HA 0.065 4.170 4.120 -0.025 0.000 0.255 37 V C 0.196 176.269 176.094 -0.034 0.000 1.082 37 V CA 0.028 62.233 62.300 -0.159 0.000 0.951 37 V CB -0.476 31.278 31.823 -0.115 0.000 1.102 37 V HN 0.474 nan 8.190 nan 0.000 0.489 38 D N 3.910 124.353 120.400 0.072 0.000 2.308 38 D HA 0.635 5.260 4.640 -0.025 0.000 0.251 38 D C 0.473 176.673 176.300 -0.167 0.000 1.127 38 D CA 0.584 54.544 54.000 -0.066 0.000 0.876 38 D CB 1.983 42.804 40.800 0.036 0.000 1.176 38 D HN 0.706 nan 8.370 nan 0.000 0.446 39 G N -0.338 108.130 108.800 -0.553 0.000 2.576 39 G HA2 0.546 4.491 3.960 -0.025 0.000 0.290 39 G HA3 0.546 4.491 3.960 -0.025 0.000 0.290 39 G C -1.629 172.922 174.900 -0.582 0.000 1.442 39 G CA -0.508 44.210 45.100 -0.636 0.000 0.792 39 G HN 0.338 nan 8.290 nan 0.000 0.491 40 V N -0.697 119.292 119.914 0.125 0.000 3.049 40 V HA 0.784 4.889 4.120 -0.025 0.000 0.309 40 V C -0.888 175.555 176.094 0.582 0.000 1.148 40 V CA -0.896 61.600 62.300 0.327 0.000 0.990 40 V CB 1.959 33.868 31.823 0.142 0.000 1.039 40 V HN 1.183 nan 8.190 nan 0.000 0.430 41 V N 4.872 125.063 119.914 0.461 0.000 2.447 41 V HA 0.539 4.644 4.120 -0.025 0.000 0.292 41 V C -0.703 175.558 176.094 0.278 0.000 1.021 41 V CA -0.402 62.105 62.300 0.346 0.000 0.850 41 V CB 1.400 33.342 31.823 0.198 0.000 1.005 41 V HN 0.803 nan 8.190 nan 0.000 0.426 42 L N 7.537 128.923 121.223 0.272 0.000 2.325 42 L HA 0.482 4.807 4.340 -0.025 0.000 0.284 42 L C -0.536 176.410 176.870 0.128 0.000 1.089 42 L CA -0.063 54.895 54.840 0.196 0.000 0.836 42 L CB 1.245 43.433 42.059 0.215 0.000 1.184 42 L HN 0.532 nan 8.230 nan 0.000 0.444 43 V N 3.915 123.900 119.914 0.118 0.000 2.472 43 V HA 0.200 4.305 4.120 -0.025 0.000 0.290 43 V C -0.133 175.895 176.094 -0.109 0.000 1.037 43 V CA -0.715 61.575 62.300 -0.015 0.000 0.908 43 V CB 1.790 33.542 31.823 -0.118 0.000 0.985 43 V HN 0.586 nan 8.190 nan 0.000 0.454 44 D N 6.048 126.361 120.400 -0.146 0.000 2.347 44 D HA 0.327 4.952 4.640 -0.025 0.000 0.235 44 D C -1.680 174.473 176.300 -0.246 0.000 1.149 44 D CA -2.115 51.763 54.000 -0.204 0.000 0.850 44 D CB 2.009 42.734 40.800 -0.125 0.000 1.061 44 D HN 0.209 nan 8.370 nan 0.000 0.487 45 P HA -0.086 nan 4.420 nan 0.000 0.225 45 P C 0.655 177.865 177.300 -0.150 0.000 1.148 45 P CA 0.835 63.779 63.100 -0.262 0.000 0.779 45 P CB 0.472 32.019 31.700 -0.254 0.000 0.780 46 E N -0.840 119.279 120.200 -0.135 0.000 1.993 46 E HA -0.236 4.099 4.350 -0.025 0.000 0.198 46 E C 2.349 178.912 176.600 -0.062 0.000 0.999 46 E CA 1.711 58.062 56.400 -0.081 0.000 0.850 46 E CB -1.144 28.513 29.700 -0.072 0.000 0.796 46 E HN 0.306 nan 8.360 nan 0.000 0.482 47 Y N 1.441 121.704 120.300 -0.061 0.000 2.571 47 Y HA 0.067 4.602 4.550 -0.025 0.000 0.294 47 Y C 2.003 177.876 175.900 -0.045 0.000 1.141 47 Y CA 0.858 58.931 58.100 -0.045 0.000 1.308 47 Y CB -0.462 37.975 38.460 -0.039 0.000 1.002 47 Y HN 0.124 nan 8.280 nan 0.000 0.551 48 L N 0.226 121.406 121.223 -0.071 0.000 2.191 48 L HA 0.032 4.357 4.340 -0.025 0.000 0.212 48 L C 1.602 178.456 176.870 -0.026 0.000 1.103 48 L CA 2.465 57.259 54.840 -0.077 0.000 0.769 48 L CB -1.297 40.654 42.059 -0.181 0.000 0.908 48 L HN 0.739 nan 8.230 nan 0.000 0.438 49 K N 0.045 120.436 120.400 -0.014 0.000 1.850 49 K HA -0.357 3.948 4.320 -0.025 0.000 0.415 49 K C 0.991 177.630 176.600 0.064 0.000 1.767 49 K CA 1.674 57.973 56.287 0.019 0.000 0.759 49 K CB -1.752 30.759 32.500 0.018 0.000 1.141 49 K HN 0.477 nan 8.250 nan 0.000 0.757 50 E N 1.352 121.593 120.200 0.068 0.000 2.479 50 E HA 0.032 4.367 4.350 -0.025 0.000 0.193 50 E C 1.024 177.678 176.600 0.090 0.000 1.049 50 E CA 0.332 56.787 56.400 0.091 0.000 0.870 50 E CB 0.012 29.741 29.700 0.049 0.000 0.944 50 E HN 0.522 nan 8.360 nan 0.000 0.492 51 R N 0.143 120.693 120.500 0.083 0.000 2.801 51 R HA 0.257 4.583 4.340 -0.025 0.000 0.273 51 R C -0.298 176.055 176.300 0.088 0.000 1.080 51 R CA -0.375 55.771 56.100 0.077 0.000 1.197 51 R CB 0.420 30.766 30.300 0.078 0.000 1.109 51 R HN -0.153 nan 8.270 nan 0.000 0.535 52 R N 0.253 120.771 120.500 0.030 0.000 2.457 52 R HA 0.320 4.645 4.340 -0.025 0.000 0.284 52 R C -0.793 175.382 176.300 -0.207 0.000 1.024 52 R CA -0.722 55.295 56.100 -0.139 0.000 1.025 52 R CB 1.654 31.728 30.300 -0.377 0.000 1.063 52 R HN 0.327 nan 8.270 nan 0.000 0.493 53 V N 3.905 123.644 119.914 -0.292 0.000 2.347 53 V HA 0.289 4.394 4.120 -0.025 0.000 0.280 53 V C -0.823 174.931 176.094 -0.565 0.000 1.021 53 V CA -0.534 61.573 62.300 -0.322 0.000 0.847 53 V CB 0.400 32.116 31.823 -0.178 0.000 0.990 53 V HN 0.575 nan 8.190 nan 0.000 0.444 54 Y N 3.240 123.185 120.300 -0.591 0.000 2.519 54 Y HA 0.759 5.295 4.550 -0.025 0.000 0.324 54 Y C 0.131 175.655 175.900 -0.627 0.000 1.214 54 Y CA -0.960 56.750 58.100 -0.651 0.000 1.260 54 Y CB 1.910 39.852 38.460 -0.863 0.000 1.311 54 Y HN 0.301 nan 8.280 nan 0.000 0.505 55 V N 1.075 120.904 119.914 -0.142 0.000 2.567 55 V HA 0.310 4.415 4.120 -0.025 0.000 0.298 55 V C -0.942 175.300 176.094 0.246 0.000 1.047 55 V CA -0.844 61.409 62.300 -0.078 0.000 0.880 55 V CB 1.754 33.362 31.823 -0.359 0.000 1.009 55 V HN 0.818 nan 8.190 nan 0.000 0.429 56 T N 6.089 120.761 114.554 0.197 0.000 2.770 56 T HA 0.577 4.912 4.350 -0.025 0.000 0.283 56 T C -0.536 174.054 174.700 -0.183 0.000 0.988 56 T CA -0.283 61.873 62.100 0.093 0.000 0.957 56 T CB 1.367 70.319 68.868 0.141 0.000 0.930 56 T HN 0.424 nan 8.240 nan 0.000 0.443 57 L N 3.975 124.805 121.223 -0.655 0.000 2.292 57 L HA 0.684 5.009 4.340 -0.025 0.000 0.284 57 L C -0.381 176.306 176.870 -0.305 0.000 1.065 57 L CA 0.415 54.857 54.840 -0.664 0.000 0.806 57 L CB 1.092 42.374 42.059 -1.294 0.000 1.175 57 L HN 0.613 nan 8.230 nan 0.000 0.431 58 T N 4.406 118.882 114.554 -0.130 0.000 3.143 58 T HA 0.209 4.544 4.350 -0.025 0.000 0.312 58 T C -1.124 173.527 174.700 -0.082 0.000 0.986 58 T CA -0.378 61.663 62.100 -0.098 0.000 1.024 58 T CB 0.755 69.549 68.868 -0.123 0.000 1.030 58 T HN 0.777 nan 8.240 nan 0.000 0.448 59 C N 4.169 123.422 119.300 -0.079 0.000 2.347 59 C HA 0.895 5.340 4.460 -0.025 0.000 0.353 59 C C 0.217 175.091 174.990 -0.193 0.000 1.273 59 C CA 0.005 58.797 59.018 -0.376 0.000 1.861 59 C CB -1.667 25.753 27.740 -0.533 0.000 2.420 59 C HN 1.041 nan 8.230 nan 0.000 0.542 60 A N 5.433 128.137 122.820 -0.193 0.000 2.517 60 A HA 0.609 4.914 4.320 -0.025 0.000 0.297 60 A C -1.071 176.502 177.584 -0.019 0.000 1.050 60 A CA -0.442 51.545 52.037 -0.082 0.000 0.694 60 A CB 0.641 19.577 19.000 -0.107 0.000 1.277 60 A HN 1.031 nan 8.150 nan 0.000 0.400 61 F N 3.833 123.742 119.950 -0.069 0.000 2.445 61 F HA 0.541 5.053 4.527 -0.025 0.000 0.359 61 F C 0.939 176.741 175.800 0.003 0.000 1.101 61 F CA -0.065 57.940 58.000 0.008 0.000 1.177 61 F CB 0.594 39.650 39.000 0.092 0.000 1.110 61 F HN 0.721 nan 8.300 nan 0.000 0.522 62 R N 5.483 125.673 120.500 -0.517 0.000 2.643 62 R HA 0.562 4.887 4.340 -0.025 0.000 0.272 62 R C -2.166 173.886 176.300 -0.414 0.000 0.995 62 R CA -0.743 55.146 56.100 -0.351 0.000 1.032 62 R CB 1.648 31.794 30.300 -0.258 0.000 1.126 62 R HN 0.774 nan 8.270 nan 0.000 0.505 63 Y N 0.284 120.443 120.300 -0.235 0.000 2.348 63 Y HA 0.466 5.001 4.550 -0.025 0.000 0.321 63 Y C -0.568 175.261 175.900 -0.118 0.000 1.163 63 Y CA 0.496 58.513 58.100 -0.138 0.000 1.070 63 Y CB 1.911 40.398 38.460 0.044 0.000 1.250 63 Y HN 1.199 nan 8.280 nan 0.000 0.425 64 G N 4.008 112.690 108.800 -0.197 0.000 2.320 64 G HA2 0.061 4.007 3.960 -0.025 0.000 0.274 64 G HA3 0.061 4.007 3.960 -0.025 0.000 0.274 64 G C -1.656 173.172 174.900 -0.120 0.000 1.324 64 G CA -1.404 43.666 45.100 -0.050 0.000 0.957 64 G HN 0.544 nan 8.290 nan 0.000 0.481 65 R N 0.597 121.064 120.500 -0.055 0.000 2.583 65 R HA 0.062 4.387 4.340 -0.025 0.000 0.274 65 R C 1.510 177.760 176.300 -0.083 0.000 0.998 65 R CA -0.035 56.028 56.100 -0.062 0.000 1.081 65 R CB 0.653 30.934 30.300 -0.032 0.000 0.940 65 R HN 0.689 nan 8.270 nan 0.000 0.413 66 E N 2.239 122.385 120.200 -0.090 0.000 2.070 66 E HA -0.226 4.110 4.350 -0.025 0.000 0.197 66 E C 1.274 177.832 176.600 -0.071 0.000 1.004 66 E CA 2.071 58.417 56.400 -0.091 0.000 0.805 66 E CB 0.144 29.791 29.700 -0.088 0.000 0.744 66 E HN 0.625 nan 8.360 nan 0.000 0.451 67 D N 0.318 120.685 120.400 -0.056 0.000 2.103 67 D HA -0.114 4.511 4.640 -0.025 0.000 0.199 67 D C 1.473 177.746 176.300 -0.044 0.000 0.978 67 D CA 0.336 54.309 54.000 -0.045 0.000 0.829 67 D CB -0.695 40.083 40.800 -0.036 0.000 0.981 67 D HN 0.122 nan 8.370 nan 0.000 0.464 68 L N -0.080 121.117 121.223 -0.042 0.000 2.473 68 L HA 0.134 4.459 4.340 -0.025 0.000 0.265 68 L C 0.700 177.541 176.870 -0.048 0.000 1.243 68 L CA 0.558 55.375 54.840 -0.038 0.000 0.822 68 L CB 0.144 42.187 42.059 -0.027 0.000 1.101 68 L HN 0.047 nan 8.230 nan 0.000 0.507 69 D N -0.911 119.460 120.400 -0.048 0.000 2.738 69 D HA -0.015 4.610 4.640 -0.025 0.000 0.345 69 D C -0.672 175.593 176.300 -0.058 0.000 1.465 69 D CA -0.131 53.833 54.000 -0.061 0.000 0.935 69 D CB 0.390 41.150 40.800 -0.067 0.000 1.543 69 D HN 0.100 nan 8.370 nan 0.000 0.399 70 V N 1.814 121.703 119.914 -0.042 0.000 2.614 70 V HA 0.335 4.440 4.120 -0.025 0.000 0.291 70 V C 0.587 176.663 176.094 -0.030 0.000 1.049 70 V CA -0.507 61.771 62.300 -0.037 0.000 1.038 70 V CB 0.904 32.712 31.823 -0.025 0.000 0.980 70 V HN 0.237 nan 8.190 nan 0.000 0.481 71 L N 7.079 128.282 121.223 -0.034 0.000 2.483 71 L HA 0.496 4.821 4.340 -0.025 0.000 0.276 71 L C 1.320 178.190 176.870 0.001 0.000 1.213 71 L CA 1.215 56.041 54.840 -0.024 0.000 0.843 71 L CB 0.531 42.572 42.059 -0.031 0.000 1.107 71 L HN 1.155 nan 8.230 nan 0.000 0.487 72 G N 3.197 112.011 108.800 0.023 0.000 2.176 72 G HA2 -0.268 3.678 3.960 -0.025 0.000 0.253 72 G HA3 -0.268 3.678 3.960 -0.025 0.000 0.253 72 G C 0.373 175.305 174.900 0.054 0.000 0.979 72 G CA 0.474 45.599 45.100 0.043 0.000 0.641 72 G HN 0.591 nan 8.290 nan 0.000 0.530 73 L N -1.610 119.640 121.223 0.046 0.000 2.437 73 L HA 0.263 4.588 4.340 -0.025 0.000 0.188 73 L C 0.854 177.755 176.870 0.052 0.000 1.123 73 L CA 0.612 55.485 54.840 0.056 0.000 0.981 73 L CB 0.211 42.290 42.059 0.033 0.000 1.935 73 L HN 0.096 nan 8.230 nan 0.000 0.494 74 T N 1.617 116.178 114.554 0.012 0.000 2.771 74 T HA 0.299 4.634 4.350 -0.025 0.000 0.291 74 T C -0.795 173.884 174.700 -0.036 0.000 0.954 74 T CA -0.048 62.044 62.100 -0.013 0.000 1.045 74 T CB 0.698 69.539 68.868 -0.044 0.000 0.917 74 T HN -0.034 nan 8.240 nan 0.000 0.484 75 F N 4.344 124.133 119.950 -0.269 0.000 2.384 75 F HA 0.619 5.131 4.527 -0.024 0.000 0.338 75 F C 0.445 176.145 175.800 -0.167 0.000 1.103 75 F CA -0.619 57.179 58.000 -0.335 0.000 1.157 75 F CB 0.581 39.033 39.000 -0.912 0.000 1.167 75 F HN 0.421 nan 8.300 nan 0.000 0.529 76 R N 4.067 123.933 120.500 -1.056 0.000 2.707 76 R HA 0.426 4.751 4.340 -0.025 0.000 0.272 76 R C -1.704 174.080 176.300 -0.859 0.000 1.011 76 R CA -1.320 54.354 56.100 -0.709 0.000 0.893 76 R CB 2.459 32.544 30.300 -0.358 0.000 1.233 76 R HN 0.643 nan 8.270 nan 0.000 0.464 77 K N 1.815 121.987 120.400 -0.381 0.000 2.656 77 K HA 0.154 4.459 4.320 -0.025 0.000 0.253 77 K C -1.539 175.020 176.600 -0.068 0.000 1.002 77 K CA -0.606 55.560 56.287 -0.203 0.000 0.880 77 K CB 1.270 33.748 32.500 -0.037 0.000 1.232 77 K HN 0.472 nan 8.250 nan 0.000 0.456 78 D N 5.729 126.078 120.400 -0.085 0.000 2.349 78 D HA 0.042 4.667 4.640 -0.025 0.000 0.266 78 D C 1.212 177.506 176.300 -0.009 0.000 1.293 78 D CA 0.136 54.099 54.000 -0.062 0.000 0.926 78 D CB 0.847 41.593 40.800 -0.090 0.000 1.090 78 D HN 0.523 nan 8.370 nan 0.000 0.502 79 L N 1.790 123.027 121.223 0.024 0.000 2.418 79 L HA 0.149 4.474 4.340 -0.025 0.000 0.218 79 L C 0.501 177.473 176.870 0.171 0.000 1.125 79 L CA 0.348 55.233 54.840 0.075 0.000 0.835 79 L CB -0.084 42.016 42.059 0.067 0.000 0.953 79 L HN 0.264 nan 8.230 nan 0.000 0.454 80 F N -0.586 119.332 119.950 -0.053 0.000 2.690 80 F HA 0.573 5.085 4.527 -0.025 0.000 0.311 80 F C -1.714 174.053 175.800 -0.054 0.000 1.111 80 F CA -0.959 57.022 58.000 -0.032 0.000 1.003 80 F CB 1.262 40.261 39.000 -0.002 0.000 1.283 80 F HN -0.455 nan 8.300 nan 0.000 0.442 81 V N 3.688 123.007 119.914 -0.992 0.000 2.932 81 V HA 0.926 5.031 4.120 -0.025 0.000 0.307 81 V C -1.147 174.428 176.094 -0.865 0.000 1.147 81 V CA -0.352 61.508 62.300 -0.733 0.000 0.951 81 V CB 1.820 33.437 31.823 -0.343 0.000 1.031 81 V HN 1.193 nan 8.190 nan 0.000 0.426 82 A N 3.699 126.199 122.820 -0.534 0.000 2.476 82 A HA 0.713 5.018 4.320 -0.025 0.000 0.280 82 A C -0.822 176.801 177.584 0.065 0.000 1.081 82 A CA -0.592 51.320 52.037 -0.208 0.000 0.753 82 A CB 0.781 19.759 19.000 -0.036 0.000 1.248 82 A HN 0.876 nan 8.150 nan 0.000 0.424 83 N N 0.382 119.151 118.700 0.116 0.000 2.473 83 N HA 0.653 5.378 4.740 -0.025 0.000 0.291 83 N C -0.650 175.014 175.510 0.256 0.000 1.083 83 N CA -0.621 52.548 53.050 0.197 0.000 0.951 83 N CB 2.485 41.034 38.487 0.104 0.000 1.164 83 N HN 0.656 nan 8.380 nan 0.000 0.480 84 V N -0.763 119.311 119.914 0.267 0.000 2.808 84 V HA 0.381 4.486 4.120 -0.025 0.000 0.308 84 V C -0.840 175.305 176.094 0.086 0.000 1.099 84 V CA -1.041 61.347 62.300 0.147 0.000 0.920 84 V CB 1.745 33.586 31.823 0.030 0.000 1.014 84 V HN 0.693 nan 8.190 nan 0.000 0.425 85 Q N 2.247 122.051 119.800 0.007 0.000 2.377 85 Q HA 0.422 4.747 4.340 -0.025 0.000 0.249 85 Q C 0.421 176.319 176.000 -0.171 0.000 1.005 85 Q CA -0.140 55.544 55.803 -0.197 0.000 0.912 85 Q CB 1.534 30.135 28.738 -0.230 0.000 1.223 85 Q HN 0.956 nan 8.270 nan 0.000 0.459 86 S N 3.837 119.430 115.700 -0.179 0.000 2.496 86 S HA 0.110 4.566 4.470 -0.025 0.000 0.224 86 S C -0.521 173.983 174.600 -0.159 0.000 0.996 86 S CA 0.176 58.333 58.200 -0.072 0.000 0.927 86 S CB 0.197 63.404 63.200 0.012 0.000 0.774 86 S HN 0.621 nan 8.310 nan 0.000 0.524 87 F N 1.415 121.101 119.950 -0.440 0.000 2.651 87 F HA 0.409 4.921 4.527 -0.025 0.000 0.329 87 F C -3.169 172.389 175.800 -0.403 0.000 1.186 87 F CA -2.202 55.485 58.000 -0.523 0.000 1.046 87 F CB 1.262 39.889 39.000 -0.622 0.000 1.296 87 F HN -0.171 nan 8.300 nan 0.000 0.497 88 P HA 0.171 nan 4.420 nan 0.000 0.270 88 P C -2.309 174.706 177.300 -0.474 0.000 1.223 88 P CA -0.917 61.610 63.100 -0.955 0.000 0.785 88 P CB 0.333 31.634 31.700 -0.664 0.000 0.923 89 P HA -0.099 nan 4.420 nan 0.000 0.234 89 P C 0.233 177.472 177.300 -0.101 0.000 1.162 89 P CA 1.545 64.575 63.100 -0.118 0.000 0.759 89 P CB -0.525 31.180 31.700 0.008 0.000 0.813 90 A N -1.982 120.749 122.820 -0.149 0.000 6.507 90 A HA -0.205 4.100 4.320 -0.025 0.000 0.242 90 A C -1.342 176.205 177.584 -0.063 0.000 2.201 90 A CA 0.404 52.381 52.037 -0.101 0.000 0.699 90 A CB -2.163 16.794 19.000 -0.072 0.000 0.971 90 A HN 0.075 nan 8.150 nan 0.000 0.369 91 P HA -0.058 nan 4.420 nan 0.000 0.199 91 P C 1.228 178.518 177.300 -0.016 0.000 1.085 91 P CA 2.053 65.138 63.100 -0.025 0.000 0.924 91 P CB 0.016 31.708 31.700 -0.014 0.000 0.736 92 E N -2.811 117.385 120.200 -0.007 0.000 2.940 92 E HA 0.017 4.352 4.350 -0.025 0.000 0.203 92 E C 1.501 178.103 176.600 0.004 0.000 0.995 92 E CA 0.059 56.458 56.400 -0.002 0.000 1.396 92 E CB -0.144 29.557 29.700 0.002 0.000 1.310 92 E HN 0.042 nan 8.360 nan 0.000 0.613 93 D N 0.814 121.217 120.400 0.005 0.000 2.202 93 D HA 0.044 4.670 4.640 -0.025 0.000 0.214 93 D C 1.474 177.778 176.300 0.007 0.000 0.967 93 D CA 1.204 55.207 54.000 0.005 0.000 0.871 93 D CB 0.343 41.146 40.800 0.006 0.000 1.020 93 D HN -0.023 nan 8.370 nan 0.000 0.474 94 K N -0.325 120.080 120.400 0.008 0.000 2.511 94 K HA 0.183 4.488 4.320 -0.025 0.000 0.206 94 K C 0.087 176.691 176.600 0.008 0.000 1.333 94 K CA -0.132 56.161 56.287 0.010 0.000 0.957 94 K CB 1.052 33.561 32.500 0.015 0.000 1.172 94 K HN -0.087 nan 8.250 nan 0.000 0.547 95 K N 3.386 123.790 120.400 0.006 0.000 2.412 95 K HA 0.119 4.424 4.320 -0.025 0.000 0.284 95 K C -2.533 174.065 176.600 -0.003 0.000 1.046 95 K CA -1.288 55.001 56.287 0.003 0.000 0.999 95 K CB -0.205 32.293 32.500 -0.003 0.000 0.941 95 K HN -0.099 nan 8.250 nan 0.000 0.474 96 P HA -0.026 nan 4.420 nan 0.000 0.265 96 P C -0.613 176.681 177.300 -0.011 0.000 1.193 96 P CA -0.407 62.691 63.100 -0.004 0.000 0.765 96 P CB 0.349 32.048 31.700 -0.002 0.000 0.823 97 L N 2.635 123.850 121.223 -0.014 0.000 2.485 97 L HA 0.122 4.448 4.340 -0.025 0.000 0.275 97 L C 1.355 178.213 176.870 -0.020 0.000 1.207 97 L CA 0.765 55.592 54.840 -0.022 0.000 0.855 97 L CB -0.419 41.626 42.059 -0.023 0.000 1.114 97 L HN 0.496 nan 8.230 nan 0.000 0.485 98 T N -0.082 114.457 114.554 -0.024 0.000 2.849 98 T HA 0.249 4.584 4.350 -0.025 0.000 0.284 98 T C 1.212 175.901 174.700 -0.018 0.000 1.004 98 T CA -0.628 61.462 62.100 -0.015 0.000 1.021 98 T CB 0.884 69.747 68.868 -0.009 0.000 1.013 98 T HN 0.517 nan 8.240 nan 0.000 0.527 99 R N 0.081 120.573 120.500 -0.014 0.000 2.127 99 R HA -0.022 4.303 4.340 -0.025 0.000 0.238 99 R C 2.004 178.291 176.300 -0.022 0.000 1.134 99 R CA 1.345 57.434 56.100 -0.018 0.000 0.975 99 R CB -1.263 29.028 30.300 -0.016 0.000 0.865 99 R HN 0.682 nan 8.270 nan 0.000 0.447 100 L N 0.450 121.663 121.223 -0.016 0.000 2.044 100 L HA -0.078 4.247 4.340 -0.025 0.000 0.205 100 L C 1.873 178.730 176.870 -0.022 0.000 1.075 100 L CA 1.797 56.628 54.840 -0.014 0.000 0.747 100 L CB -0.568 41.495 42.059 0.007 0.000 0.903 100 L HN 0.262 nan 8.230 nan 0.000 0.435 101 Q N -0.577 119.206 119.800 -0.029 0.000 2.170 101 Q HA -0.220 4.105 4.340 -0.025 0.000 0.203 101 Q C 2.029 178.002 176.000 -0.045 0.000 0.976 101 Q CA 1.884 57.662 55.803 -0.043 0.000 0.858 101 Q CB -0.099 28.604 28.738 -0.058 0.000 0.907 101 Q HN 0.655 nan 8.270 nan 0.000 0.433 102 E N 0.425 120.600 120.200 -0.041 0.000 2.028 102 E HA -0.148 4.187 4.350 -0.025 0.000 0.191 102 E C 2.044 178.614 176.600 -0.050 0.000 0.988 102 E CA 0.719 57.093 56.400 -0.044 0.000 0.799 102 E CB -0.026 29.652 29.700 -0.036 0.000 0.755 102 E HN 0.246 nan 8.360 nan 0.000 0.447 103 R N 0.486 120.957 120.500 -0.048 0.000 2.148 103 R HA -0.057 4.268 4.340 -0.025 0.000 0.227 103 R C 2.430 178.693 176.300 -0.061 0.000 1.103 103 R CA 0.684 56.751 56.100 -0.054 0.000 0.983 103 R CB -0.210 30.057 30.300 -0.055 0.000 0.874 103 R HN 0.204 nan 8.270 nan 0.000 0.451 104 L N 0.299 121.486 121.223 -0.060 0.000 2.156 104 L HA -0.114 4.211 4.340 -0.025 0.000 0.208 104 L C 2.250 179.057 176.870 -0.105 0.000 1.095 104 L CA 1.048 55.843 54.840 -0.075 0.000 0.770 104 L CB -0.212 41.811 42.059 -0.060 0.000 0.914 104 L HN 0.178 nan 8.230 nan 0.000 0.439 105 I N -0.445 120.069 120.570 -0.092 0.000 2.353 105 I HA -0.231 3.924 4.170 -0.025 0.000 0.248 105 I C 2.400 178.458 176.117 -0.098 0.000 1.119 105 I CA 1.008 62.243 61.300 -0.109 0.000 1.417 105 I CB -0.181 37.754 38.000 -0.108 0.000 1.078 105 I HN 0.201 nan 8.210 nan 0.000 0.421 106 K N 0.873 121.227 120.400 -0.077 0.000 2.032 106 K HA -0.241 4.064 4.320 -0.025 0.000 0.209 106 K C 2.164 178.732 176.600 -0.054 0.000 1.048 106 K CA 1.398 57.647 56.287 -0.064 0.000 0.927 106 K CB -0.177 32.291 32.500 -0.054 0.000 0.712 106 K HN -0.027 nan 8.250 nan 0.000 0.441 107 K N 1.319 121.690 120.400 -0.047 0.000 2.057 107 K HA -0.042 4.263 4.320 -0.025 0.000 0.207 107 K C 0.991 177.582 176.600 -0.016 0.000 1.049 107 K CA 1.061 57.337 56.287 -0.018 0.000 0.931 107 K CB -0.285 32.221 32.500 0.010 0.000 0.714 107 K HN -0.000 nan 8.250 nan 0.000 0.440 108 L N -1.471 119.717 121.223 -0.058 0.000 2.598 108 L HA 0.332 4.657 4.340 -0.025 0.000 0.202 108 L C 0.644 177.474 176.870 -0.066 0.000 1.190 108 L CA -0.308 54.491 54.840 -0.068 0.000 0.869 108 L CB 0.259 42.243 42.059 -0.126 0.000 1.529 108 L HN 0.247 nan 8.230 nan 0.000 0.520 109 G N -0.860 107.901 108.800 -0.066 0.000 2.845 109 G HA2 0.402 4.347 3.960 -0.025 0.000 0.282 109 G HA3 0.402 4.347 3.960 -0.025 0.000 0.282 109 G C -0.005 174.752 174.900 -0.237 0.000 1.546 109 G CA -0.006 45.035 45.100 -0.097 0.000 1.089 109 G HN 0.747 nan 8.290 nan 0.000 0.558 110 E N 1.622 121.623 120.200 -0.332 0.000 2.609 110 E HA -0.360 3.975 4.350 -0.025 0.000 0.253 110 E C -0.194 175.914 176.600 -0.820 0.000 1.237 110 E CA 1.960 58.046 56.400 -0.524 0.000 0.720 110 E CB -1.343 28.069 29.700 -0.480 0.000 1.300 110 E HN 0.648 nan 8.360 nan 0.000 0.420 111 H N -1.895 117.011 119.070 -0.273 0.000 3.650 111 H HA 0.395 4.937 4.556 -0.025 0.000 0.260 111 H C 0.289 175.471 175.328 -0.243 0.000 1.194 111 H CA 0.194 56.120 56.048 -0.203 0.000 1.135 111 H CB 0.754 30.496 29.762 -0.032 0.000 1.612 111 H HN 0.336 nan 8.280 nan 0.000 0.703 112 A N 1.599 124.276 122.820 -0.238 0.000 2.343 112 A HA 0.428 4.733 4.320 -0.025 0.000 0.305 112 A C -1.014 176.418 177.584 -0.253 0.000 1.308 112 A CA -0.047 51.911 52.037 -0.131 0.000 0.949 112 A CB -0.656 18.271 19.000 -0.121 0.000 1.148 112 A HN 0.156 nan 8.150 nan 0.000 0.545 113 Y N 3.295 123.657 120.300 0.104 0.000 2.330 113 Y HA 0.421 4.956 4.550 -0.025 0.000 0.336 113 Y C -2.075 173.912 175.900 0.144 0.000 1.036 113 Y CA -2.315 55.852 58.100 0.112 0.000 1.125 113 Y CB 1.282 39.825 38.460 0.138 0.000 1.194 113 Y HN 0.502 nan 8.280 nan 0.000 0.469 114 P HA 0.189 nan 4.420 nan 0.000 0.272 114 P C -1.180 176.243 177.300 0.204 0.000 1.230 114 P CA -0.074 63.099 63.100 0.122 0.000 0.788 114 P CB 0.464 32.187 31.700 0.038 0.000 0.949 115 F N -2.447 117.483 119.950 -0.034 0.000 2.654 115 F HA 0.670 5.182 4.527 -0.025 0.000 0.314 115 F C -1.636 174.020 175.800 -0.241 0.000 1.116 115 F CA -0.589 57.312 58.000 -0.165 0.000 1.017 115 F CB 0.881 39.771 39.000 -0.183 0.000 1.285 115 F HN 0.075 nan 8.300 nan 0.000 0.448 116 T N 3.890 118.260 114.554 -0.306 0.000 3.011 116 T HA 0.550 4.885 4.350 -0.025 0.000 0.303 116 T C -1.373 173.147 174.700 -0.300 0.000 0.997 116 T CA -0.422 61.498 62.100 -0.299 0.000 1.007 116 T CB 0.927 69.704 68.868 -0.150 0.000 1.017 116 T HN 0.522 nan 8.240 nan 0.000 0.443 117 F N 1.617 121.632 119.950 0.108 0.000 2.443 117 F HA 0.489 5.001 4.527 -0.025 0.000 0.335 117 F C 0.873 176.711 175.800 0.063 0.000 1.104 117 F CA -0.907 57.168 58.000 0.124 0.000 1.013 117 F CB 1.500 40.595 39.000 0.157 0.000 1.136 117 F HN 0.441 nan 8.300 nan 0.000 0.470 118 E N 4.218 124.591 120.200 0.289 0.000 2.102 118 E HA 0.395 4.731 4.350 -0.025 0.000 0.263 118 E C -0.870 175.804 176.600 0.123 0.000 0.894 118 E CA -0.416 56.080 56.400 0.161 0.000 0.746 118 E CB 0.817 30.594 29.700 0.128 0.000 1.129 118 E HN 0.499 nan 8.360 nan 0.000 0.416 119 I N 6.102 126.678 120.570 0.010 0.000 2.441 119 I HA 0.222 4.377 4.170 -0.025 0.000 0.287 119 I C -1.978 174.037 176.117 -0.172 0.000 1.049 119 I CA -2.152 59.046 61.300 -0.170 0.000 1.381 119 I CB 0.737 38.624 38.000 -0.189 0.000 1.409 119 I HN 0.337 nan 8.210 nan 0.000 0.523 120 P HA 0.107 nan 4.420 nan 0.000 0.269 120 P C -2.128 175.114 177.300 -0.096 0.000 1.209 120 P CA -0.990 62.016 63.100 -0.156 0.000 0.776 120 P CB 0.131 31.714 31.700 -0.196 0.000 0.876 121 P HA -0.073 nan 4.420 nan 0.000 0.218 121 P C 0.632 177.941 177.300 0.015 0.000 1.152 121 P CA 1.300 64.403 63.100 0.006 0.000 0.826 121 P CB -0.066 31.651 31.700 0.028 0.000 0.790 122 N N -0.829 117.879 118.700 0.013 0.000 2.571 122 N HA 0.003 4.728 4.740 -0.025 0.000 0.189 122 N C 0.427 175.961 175.510 0.040 0.000 1.154 122 N CA 0.372 53.440 53.050 0.029 0.000 0.907 122 N CB -0.688 37.818 38.487 0.031 0.000 0.977 122 N HN 0.194 nan 8.380 nan 0.000 0.449 123 L N 1.129 122.372 121.223 0.033 0.000 2.452 123 L HA 0.229 4.554 4.340 -0.025 0.000 0.267 123 L C -1.920 175.030 176.870 0.133 0.000 1.188 123 L CA -1.641 53.246 54.840 0.080 0.000 0.821 123 L CB 0.267 42.378 42.059 0.088 0.000 1.102 123 L HN -0.126 nan 8.230 nan 0.000 0.470 124 P HA 0.134 nan 4.420 nan 0.000 0.275 124 P C -0.642 176.821 177.300 0.273 0.000 1.228 124 P CA -0.612 62.595 63.100 0.178 0.000 0.786 124 P CB 0.620 32.415 31.700 0.158 0.000 0.927 125 C N 1.128 120.556 119.300 0.213 0.000 2.633 125 C HA 0.198 4.643 4.460 -0.025 0.000 0.345 125 C C 1.061 176.213 174.990 0.270 0.000 1.384 125 C CA -0.018 59.128 59.018 0.214 0.000 2.418 125 C CB -0.291 27.532 27.740 0.138 0.000 2.425 125 C HN 0.528 nan 8.230 nan 0.000 0.705 126 S N 0.065 115.910 115.700 0.241 0.000 2.549 126 S HA 0.455 4.910 4.470 -0.025 0.000 0.283 126 S C -0.336 174.356 174.600 0.154 0.000 1.320 126 S CA -0.229 58.105 58.200 0.222 0.000 1.058 126 S CB 0.695 64.008 63.200 0.189 0.000 0.882 126 S HN 0.699 nan 8.310 nan 0.000 0.498 127 V N 3.158 123.148 119.914 0.126 0.000 3.167 127 V HA 0.715 4.821 4.120 -0.025 0.000 0.293 127 V C -1.087 175.037 176.094 0.050 0.000 1.379 127 V CA -0.295 62.065 62.300 0.100 0.000 1.019 127 V CB 2.456 34.352 31.823 0.123 0.000 1.115 127 V HN 0.928 nan 8.190 nan 0.000 0.442 128 T N 5.290 119.859 114.554 0.025 0.000 2.864 128 T HA 0.698 5.033 4.350 -0.025 0.000 0.299 128 T C -1.381 173.290 174.700 -0.049 0.000 1.166 128 T CA -0.509 61.573 62.100 -0.029 0.000 1.007 128 T CB 1.823 70.668 68.868 -0.039 0.000 1.219 128 T HN 0.924 nan 8.240 nan 0.000 0.506 129 L N 2.013 123.176 121.223 -0.101 0.000 2.611 129 L HA 0.369 4.694 4.340 -0.025 0.000 0.263 129 L C -1.231 175.523 176.870 -0.192 0.000 0.969 129 L CA -0.596 54.155 54.840 -0.149 0.000 0.894 129 L CB 1.573 43.537 42.059 -0.159 0.000 1.229 129 L HN 0.494 nan 8.230 nan 0.000 0.416 130 Q N 5.635 125.328 119.800 -0.178 0.000 2.314 130 Q HA 0.287 4.612 4.340 -0.025 0.000 0.257 130 Q C -2.056 173.824 176.000 -0.199 0.000 0.975 130 Q CA -1.854 53.850 55.803 -0.166 0.000 0.933 130 Q CB 1.462 30.125 28.738 -0.124 0.000 1.195 130 Q HN 0.436 nan 8.270 nan 0.000 0.426 131 P HA 0.000 nan 4.420 nan 0.000 0.236 131 P C 0.193 177.445 177.300 -0.080 0.000 1.177 131 P CA 0.808 63.816 63.100 -0.155 0.000 0.773 131 P CB 0.391 32.040 31.700 -0.084 0.000 0.878 132 G N -0.015 108.738 108.800 -0.078 0.000 2.699 132 G HA2 -0.131 3.814 3.960 -0.025 0.000 0.686 132 G HA3 -0.131 3.814 3.960 -0.025 0.000 0.686 132 G C -2.307 172.572 174.900 -0.035 0.000 1.301 132 G CA -0.543 44.527 45.100 -0.050 0.000 0.816 132 G HN -0.144 nan 8.290 nan 0.000 0.595 133 P HA -0.025 nan 4.420 nan 0.000 0.219 133 P C 1.688 178.982 177.300 -0.010 0.000 1.146 133 P CA 1.424 64.512 63.100 -0.021 0.000 0.808 133 P CB 0.175 31.864 31.700 -0.018 0.000 0.779 134 E N -0.000 120.198 120.200 -0.003 0.000 2.070 134 E HA -0.137 4.198 4.350 -0.025 0.000 0.197 134 E C 0.002 176.609 176.600 0.013 0.000 1.004 134 E CA 1.330 57.734 56.400 0.007 0.000 0.805 134 E CB -0.399 29.310 29.700 0.015 0.000 0.744 134 E HN 0.350 nan 8.360 nan 0.000 0.451 135 D N -0.609 119.799 120.400 0.013 0.000 2.381 135 D HA 0.046 4.671 4.640 -0.025 0.000 0.245 135 D C 0.520 176.821 176.300 0.001 0.000 1.297 135 D CA 0.056 54.069 54.000 0.020 0.000 0.931 135 D CB 1.116 41.943 40.800 0.046 0.000 1.334 135 D HN -0.000 nan 8.370 nan 0.000 0.535 136 T N -2.297 112.248 114.554 -0.014 0.000 3.035 136 T HA -0.037 4.298 4.350 -0.025 0.000 0.268 136 T C 1.904 176.572 174.700 -0.053 0.000 1.109 136 T CA 0.821 62.897 62.100 -0.041 0.000 1.119 136 T CB 0.106 68.950 68.868 -0.039 0.000 0.900 136 T HN 0.286 nan 8.240 nan 0.000 0.503 137 G N 1.384 110.174 108.800 -0.016 0.000 2.598 137 G HA2 -0.028 3.917 3.960 -0.025 0.000 0.215 137 G HA3 -0.028 3.917 3.960 -0.025 0.000 0.215 137 G C 1.422 176.301 174.900 -0.035 0.000 1.131 137 G CA -0.038 45.063 45.100 0.001 0.000 0.785 137 G HN 0.539 nan 8.290 nan 0.000 0.539 138 K N 0.452 120.813 120.400 -0.065 0.000 2.444 138 K HA 0.379 4.685 4.320 -0.025 0.000 0.193 138 K C 1.183 177.530 176.600 -0.422 0.000 1.024 138 K CA -0.147 56.056 56.287 -0.139 0.000 1.077 138 K CB 0.548 33.096 32.500 0.079 0.000 0.833 138 K HN 0.255 nan 8.250 nan 0.000 0.517 139 A N 1.369 123.970 122.820 -0.365 0.000 2.483 139 A HA 0.276 4.581 4.320 -0.025 0.000 0.238 139 A C 0.430 177.700 177.584 -0.524 0.000 1.070 139 A CA -0.260 51.566 52.037 -0.351 0.000 0.770 139 A CB -0.199 18.660 19.000 -0.234 0.000 1.008 139 A HN 0.560 nan 8.150 nan 0.000 0.497 140 C N -1.207 117.869 119.300 -0.373 0.000 3.275 140 C HA 0.983 5.428 4.460 -0.025 0.000 0.340 140 C C -0.075 174.738 174.990 -0.296 0.000 1.366 140 C CA -0.025 58.758 59.018 -0.393 0.000 1.227 140 C CB 0.985 28.560 27.740 -0.276 0.000 1.512 140 C HN 2.601 nan 8.230 nan 0.000 0.461 141 G N -0.119 108.410 108.800 -0.453 0.000 2.328 141 G HA2 0.562 4.507 3.960 -0.025 0.000 0.299 141 G HA3 0.562 4.507 3.960 -0.025 0.000 0.299 141 G C -1.845 172.910 174.900 -0.243 0.000 1.435 141 G CA -0.049 44.911 45.100 -0.233 0.000 0.865 141 G HN 1.596 nan 8.290 nan 0.000 0.601 142 V N 0.999 120.901 119.914 -0.020 0.000 2.567 142 V HA 0.642 4.747 4.120 -0.025 0.000 0.289 142 V C -0.644 175.448 176.094 -0.003 0.000 1.049 142 V CA -0.369 61.941 62.300 0.017 0.000 0.969 142 V CB 1.708 33.599 31.823 0.114 0.000 0.995 142 V HN 0.683 nan 8.190 nan 0.000 0.471 143 D N 1.901 122.259 120.400 -0.070 0.000 2.964 143 D HA 0.330 4.955 4.640 -0.025 0.000 0.234 143 D C -1.437 174.803 176.300 -0.100 0.000 1.223 143 D CA -0.274 53.718 54.000 -0.014 0.000 0.889 143 D CB 2.081 42.868 40.800 -0.022 0.000 1.609 143 D HN 0.420 nan 8.370 nan 0.000 0.523 144 Y N 1.132 121.459 120.300 0.044 0.000 2.385 144 Y HA 0.227 4.762 4.550 -0.025 0.000 0.341 144 Y C 0.853 176.768 175.900 0.026 0.000 0.965 144 Y CA -0.303 57.820 58.100 0.039 0.000 1.180 144 Y CB 1.245 39.736 38.460 0.051 0.000 1.139 144 Y HN 0.211 nan 8.280 nan 0.000 0.502 145 E N 2.391 122.640 120.200 0.082 0.000 2.222 145 E HA 0.685 5.020 4.350 -0.025 0.000 0.272 145 E C -1.579 175.024 176.600 0.006 0.000 0.982 145 E CA -0.739 55.680 56.400 0.032 0.000 0.842 145 E CB 1.451 31.138 29.700 -0.021 0.000 1.144 145 E HN 0.390 nan 8.360 nan 0.000 0.397 146 V N 4.165 124.076 119.914 -0.005 0.000 2.525 146 V HA 0.348 4.453 4.120 -0.025 0.000 0.299 146 V C -0.669 175.414 176.094 -0.019 0.000 1.034 146 V CA -0.689 61.605 62.300 -0.010 0.000 0.863 146 V CB 1.686 33.545 31.823 0.059 0.000 0.999 146 V HN 0.588 nan 8.190 nan 0.000 0.423 147 K N 3.951 124.353 120.400 0.003 0.000 2.640 147 K HA 0.778 5.083 4.320 -0.025 0.000 0.245 147 K C -0.589 176.083 176.600 0.120 0.000 0.962 147 K CA -0.365 55.952 56.287 0.050 0.000 0.896 147 K CB 1.683 34.219 32.500 0.059 0.000 1.147 147 K HN 0.806 nan 8.250 nan 0.000 0.445 148 A N 4.295 127.143 122.820 0.047 0.000 2.309 148 A HA 0.740 5.045 4.320 -0.025 0.000 0.298 148 A C -0.704 176.975 177.584 0.157 0.000 1.165 148 A CA -0.469 51.565 52.037 -0.005 0.000 0.821 148 A CB -0.076 18.863 19.000 -0.101 0.000 1.102 148 A HN 0.735 nan 8.150 nan 0.000 0.500 149 F N -0.336 119.624 119.950 0.017 0.000 3.016 149 F HA 0.712 5.224 4.527 -0.025 0.000 0.324 149 F C -0.770 175.078 175.800 0.079 0.000 1.196 149 F CA -1.433 56.592 58.000 0.041 0.000 0.929 149 F CB 0.763 39.788 39.000 0.041 0.000 1.440 149 F HN 0.841 nan 8.300 nan 0.000 0.505 150 C N 0.951 120.447 119.300 0.327 0.000 2.642 150 C HA 1.020 5.466 4.460 -0.025 0.000 0.344 150 C C -0.562 174.632 174.990 0.340 0.000 1.110 150 C CA -0.114 59.017 59.018 0.189 0.000 1.298 150 C CB 0.369 28.155 27.740 0.076 0.000 1.827 150 C HN 1.700 nan 8.230 nan 0.000 0.467 151 A N 1.944 124.973 122.820 0.349 0.000 2.586 151 A HA 0.761 5.067 4.320 -0.025 0.000 0.290 151 A C 0.176 177.940 177.584 0.299 0.000 1.086 151 A CA -0.166 52.062 52.037 0.319 0.000 0.665 151 A CB 0.873 20.097 19.000 0.374 0.000 1.279 151 A HN 0.853 nan 8.150 nan 0.000 0.423 152 E N 0.188 120.508 120.200 0.202 0.000 2.274 152 E HA 0.034 4.369 4.350 -0.025 0.000 0.194 152 E C 0.333 177.059 176.600 0.210 0.000 0.996 152 E CA 1.508 58.007 56.400 0.164 0.000 0.840 152 E CB 0.103 29.860 29.700 0.095 0.000 0.772 152 E HN 0.565 nan 8.360 nan 0.000 0.491 153 N N -2.150 116.671 118.700 0.203 0.000 3.127 153 N HA 0.092 4.818 4.740 -0.025 0.000 0.239 153 N C -0.244 175.214 175.510 -0.086 0.000 1.407 153 N CA -0.445 52.667 53.050 0.104 0.000 0.891 153 N CB 0.208 38.729 38.487 0.057 0.000 1.447 153 N HN -0.050 nan 8.380 nan 0.000 0.507 154 L N 1.006 122.061 121.223 -0.281 0.000 2.261 154 L HA -0.072 4.253 4.340 -0.025 0.000 0.216 154 L C 1.455 178.236 176.870 -0.147 0.000 1.114 154 L CA 1.218 55.879 54.840 -0.300 0.000 0.777 154 L CB -0.150 41.742 42.059 -0.280 0.000 0.910 154 L HN 0.627 nan 8.230 nan 0.000 0.440 155 E N -0.207 119.938 120.200 -0.091 0.000 2.076 155 E HA -0.134 4.202 4.350 -0.025 0.000 0.190 155 E C 0.809 177.374 176.600 -0.059 0.000 0.979 155 E CA 0.019 56.378 56.400 -0.068 0.000 0.807 155 E CB 0.065 29.741 29.700 -0.041 0.000 0.761 155 E HN 0.232 nan 8.360 nan 0.000 0.454 156 E N 2.566 122.749 120.200 -0.028 0.000 2.529 156 E HA -0.079 4.256 4.350 -0.025 0.000 0.259 156 E C -0.696 175.880 176.600 -0.041 0.000 0.966 156 E CA 0.356 56.751 56.400 -0.009 0.000 0.937 156 E CB 0.353 30.078 29.700 0.040 0.000 0.923 156 E HN -0.101 nan 8.360 nan 0.000 0.468 157 K N 4.058 124.433 120.400 -0.042 0.000 2.414 157 K HA 0.118 4.423 4.320 -0.025 0.000 0.272 157 K C 0.316 176.879 176.600 -0.061 0.000 0.993 157 K CA -0.054 56.192 56.287 -0.069 0.000 0.964 157 K CB 0.413 32.888 32.500 -0.042 0.000 0.925 157 K HN 0.510 nan 8.250 nan 0.000 0.487 158 I N 0.730 121.221 120.570 -0.131 0.000 3.244 158 I HA 0.163 4.318 4.170 -0.025 0.000 0.314 158 I C 0.538 176.669 176.117 0.023 0.000 1.043 158 I CA -0.562 60.670 61.300 -0.113 0.000 1.099 158 I CB 0.447 38.266 38.000 -0.301 0.000 1.449 158 I HN 0.517 nan 8.210 nan 0.000 0.625 159 H N 1.651 120.690 119.070 -0.051 0.000 2.934 159 H HA 0.249 4.790 4.556 -0.025 0.000 0.340 159 H C -0.251 175.065 175.328 -0.020 0.000 1.008 159 H CA -0.520 55.510 56.048 -0.029 0.000 1.317 159 H CB 1.803 31.561 29.762 -0.007 0.000 1.670 159 H HN 0.575 nan 8.280 nan 0.000 0.516 160 K N 2.529 122.783 120.400 -0.243 0.000 2.281 160 K HA -0.100 4.205 4.320 -0.025 0.000 0.203 160 K C 1.656 178.242 176.600 -0.023 0.000 1.046 160 K CA 0.902 57.114 56.287 -0.124 0.000 0.938 160 K CB 0.334 32.736 32.500 -0.163 0.000 0.737 160 K HN 0.495 nan 8.250 nan 0.000 0.458 161 R N 0.469 121.009 120.500 0.067 0.000 2.148 161 R HA -0.016 4.309 4.340 -0.025 0.000 0.223 161 R C 1.633 178.006 176.300 0.121 0.000 1.088 161 R CA 0.920 57.100 56.100 0.133 0.000 0.985 161 R CB -0.217 30.224 30.300 0.236 0.000 0.880 161 R HN 0.222 nan 8.270 nan 0.000 0.451 162 N N 0.903 119.699 118.700 0.160 0.000 2.173 162 N HA -0.078 4.647 4.740 -0.025 0.000 0.184 162 N C 1.117 176.691 175.510 0.107 0.000 1.025 162 N CA 1.110 54.232 53.050 0.121 0.000 0.852 162 N CB -0.339 38.237 38.487 0.148 0.000 0.998 162 N HN 0.142 nan 8.380 nan 0.000 0.427 163 S N 0.092 115.861 115.700 0.115 0.000 2.634 163 S HA 0.445 4.900 4.470 -0.025 0.000 0.261 163 S C 0.093 174.725 174.600 0.053 0.000 1.271 163 S CA -0.729 57.542 58.200 0.119 0.000 0.985 163 S CB 1.650 64.918 63.200 0.113 0.000 0.968 163 S HN 0.042 nan 8.310 nan 0.000 0.568 164 V N 0.906 120.844 119.914 0.040 0.000 2.653 164 V HA 0.492 4.597 4.120 -0.025 0.000 0.298 164 V C -1.261 174.819 176.094 -0.022 0.000 1.097 164 V CA -0.699 61.599 62.300 -0.004 0.000 0.908 164 V CB 1.495 33.305 31.823 -0.022 0.000 1.024 164 V HN 0.967 nan 8.190 nan 0.000 0.435 165 R N 5.880 126.359 120.500 -0.035 0.000 2.207 165 R HA 0.659 4.984 4.340 -0.025 0.000 0.334 165 R C -1.135 175.115 176.300 -0.085 0.000 1.013 165 R CA -0.506 55.566 56.100 -0.047 0.000 0.858 165 R CB 1.498 31.776 30.300 -0.037 0.000 1.094 165 R HN 0.573 nan 8.270 nan 0.000 0.457 166 L N 2.139 123.281 121.223 -0.135 0.000 2.331 166 L HA 0.535 4.860 4.340 -0.025 0.000 0.268 166 L C -0.297 176.513 176.870 -0.100 0.000 1.015 166 L CA -0.764 53.919 54.840 -0.262 0.000 0.807 166 L CB 1.830 43.553 42.059 -0.561 0.000 1.293 166 L HN 0.256 nan 8.230 nan 0.000 0.451 167 V N 2.402 122.314 119.914 -0.004 0.000 2.439 167 V HA 0.373 4.478 4.120 -0.025 0.000 0.277 167 V C -0.304 175.964 176.094 0.290 0.000 1.008 167 V CA -0.525 61.863 62.300 0.146 0.000 0.846 167 V CB 1.070 32.982 31.823 0.148 0.000 1.031 167 V HN 0.596 nan 8.190 nan 0.000 0.441 168 I N 1.558 122.298 120.570 0.284 0.000 2.499 168 I HA 0.678 4.834 4.170 -0.025 0.000 0.296 168 I C 0.122 176.400 176.117 0.269 0.000 0.992 168 I CA -0.536 60.983 61.300 0.365 0.000 1.297 168 I CB 0.999 39.285 38.000 0.475 0.000 1.410 168 I HN 0.400 nan 8.210 nan 0.000 0.507 169 R N 3.942 124.555 120.500 0.189 0.000 2.474 169 R HA 0.433 4.758 4.340 -0.025 0.000 0.295 169 R C -0.629 175.687 176.300 0.027 0.000 0.980 169 R CA -0.958 55.205 56.100 0.106 0.000 0.934 169 R CB 1.751 32.073 30.300 0.036 0.000 1.101 169 R HN 0.589 nan 8.270 nan 0.000 0.469 170 K N 3.091 123.435 120.400 -0.093 0.000 2.316 170 K HA 0.206 4.511 4.320 -0.025 0.000 0.267 170 K C -0.477 176.070 176.600 -0.089 0.000 1.025 170 K CA -0.492 55.688 56.287 -0.178 0.000 0.896 170 K CB 1.102 33.291 32.500 -0.519 0.000 1.124 170 K HN 0.475 nan 8.250 nan 0.000 0.451 171 V N 1.234 121.082 119.914 -0.111 0.000 2.539 171 V HA 0.406 4.511 4.120 -0.025 0.000 0.292 171 V C -0.279 175.793 176.094 -0.037 0.000 1.045 171 V CA -0.909 61.312 62.300 -0.133 0.000 0.945 171 V CB 1.465 33.059 31.823 -0.382 0.000 0.993 171 V HN 0.739 nan 8.190 nan 0.000 0.464 172 Q N 2.468 122.306 119.800 0.063 0.000 2.260 172 Q HA 0.625 4.950 4.340 -0.025 0.000 0.238 172 Q C -1.255 174.894 176.000 0.247 0.000 0.948 172 Q CA -0.238 55.638 55.803 0.122 0.000 0.895 172 Q CB 1.450 30.271 28.738 0.138 0.000 1.218 172 Q HN 0.956 nan 8.270 nan 0.000 0.470 173 Y N 0.491 120.830 120.300 0.065 0.000 2.604 173 Y HA 0.642 5.178 4.550 -0.024 0.000 0.331 173 Y C -2.145 173.838 175.900 0.138 0.000 1.158 173 Y CA -0.349 57.830 58.100 0.131 0.000 1.056 173 Y CB 1.350 39.851 38.460 0.067 0.000 1.330 173 Y HN 0.744 nan 8.280 nan 0.000 0.457 174 A N 5.360 127.631 122.820 -0.915 0.000 2.530 174 A HA 0.642 4.947 4.320 -0.025 0.000 0.297 174 A C -3.270 173.920 177.584 -0.657 0.000 1.059 174 A CA -1.386 50.242 52.037 -0.682 0.000 0.782 174 A CB 1.035 19.899 19.000 -0.228 0.000 1.301 174 A HN 0.398 nan 8.150 nan 0.000 0.394 175 P HA 0.319 nan 4.420 nan 0.000 0.271 175 P C 0.287 177.559 177.300 -0.047 0.000 1.233 175 P CA 0.117 63.164 63.100 -0.088 0.000 0.789 175 P CB 0.588 32.307 31.700 0.031 0.000 0.951 176 E N 0.779 120.991 120.200 0.020 0.000 3.570 176 E HA 0.260 4.595 4.350 -0.025 0.000 0.298 176 E C 0.211 176.794 176.600 -0.029 0.000 1.489 176 E CA -0.093 56.285 56.400 -0.037 0.000 1.457 176 E CB 0.061 29.743 29.700 -0.029 0.000 1.247 176 E HN 0.274 nan 8.360 nan 0.000 0.778 181 Q N 1.796 121.597 119.800 0.002 0.000 2.247 181 Q HA 0.153 4.478 4.340 -0.025 0.000 0.288 181 Q C -1.847 174.164 176.000 0.017 0.000 1.079 181 Q CA -0.515 55.291 55.803 0.006 0.000 0.932 181 Q CB -0.287 28.456 28.738 0.009 0.000 1.133 181 Q HN 0.182 nan 8.270 nan 0.000 0.377 182 P HA -0.087 nan 4.420 nan 0.000 0.258 182 P C 0.099 177.428 177.300 0.049 0.000 1.187 182 P CA 0.233 63.359 63.100 0.044 0.000 0.767 182 P CB 0.251 31.990 31.700 0.065 0.000 0.770 183 T N 2.365 116.947 114.554 0.047 0.000 2.939 183 T HA 0.276 4.612 4.350 -0.025 0.000 0.319 183 T C 0.537 175.271 174.700 0.056 0.000 1.082 183 T CA -0.116 62.011 62.100 0.046 0.000 1.133 183 T CB 0.097 68.990 68.868 0.042 0.000 1.019 183 T HN 0.497 nan 8.240 nan 0.000 0.548 184 A N 3.884 126.738 122.820 0.056 0.000 2.259 184 A HA 0.637 4.942 4.320 -0.025 0.000 0.278 184 A C 0.026 177.644 177.584 0.056 0.000 1.107 184 A CA -0.502 51.572 52.037 0.063 0.000 0.828 184 A CB 0.400 19.445 19.000 0.074 0.000 1.111 184 A HN 0.853 nan 8.150 nan 0.000 0.498 185 E N -0.211 120.019 120.200 0.049 0.000 2.293 185 E HA 0.556 4.891 4.350 -0.025 0.000 0.270 185 E C -0.805 175.795 176.600 0.000 0.000 0.879 185 E CA -0.358 56.059 56.400 0.029 0.000 0.756 185 E CB 2.075 31.793 29.700 0.030 0.000 1.208 185 E HN 0.828 nan 8.360 nan 0.000 0.428 186 T N -1.669 112.866 114.554 -0.031 0.000 2.865 186 T HA 0.751 5.086 4.350 -0.025 0.000 0.294 186 T C -0.475 174.137 174.700 -0.147 0.000 1.119 186 T CA -0.863 61.160 62.100 -0.128 0.000 1.007 186 T CB 2.204 71.001 68.868 -0.117 0.000 1.225 186 T HN 0.292 nan 8.240 nan 0.000 0.515 187 T N 0.459 114.856 114.554 -0.262 0.000 3.933 187 T HA 0.399 4.734 4.350 -0.025 0.000 0.357 187 T C -1.488 173.078 174.700 -0.224 0.000 1.077 187 T CA -0.684 61.310 62.100 -0.176 0.000 1.082 187 T CB 0.720 69.521 68.868 -0.112 0.000 1.158 187 T HN 0.794 nan 8.240 nan 0.000 0.472 188 R N 3.458 123.873 120.500 -0.143 0.000 2.297 188 R HA 0.650 4.975 4.340 -0.025 0.000 0.308 188 R C -0.253 175.954 176.300 -0.156 0.000 1.029 188 R CA -0.757 55.252 56.100 -0.152 0.000 0.929 188 R CB 1.291 31.536 30.300 -0.091 0.000 1.046 188 R HN 0.557 nan 8.270 nan 0.000 0.461 189 Q N 2.670 122.332 119.800 -0.231 0.000 2.289 189 Q HA 0.278 4.603 4.340 -0.025 0.000 0.270 189 Q C -1.381 174.484 176.000 -0.226 0.000 1.038 189 Q CA -0.614 55.104 55.803 -0.141 0.000 0.812 189 Q CB 2.267 30.969 28.738 -0.060 0.000 1.300 189 Q HN 0.428 nan 8.270 nan 0.000 0.427 190 F N 2.821 122.774 119.950 0.003 0.000 2.421 190 F HA 0.295 4.822 4.527 -0.000 0.000 0.358 190 F C 0.203 176.003 175.800 0.000 0.000 1.115 190 F CA -0.403 57.600 58.000 0.005 0.000 1.160 190 F CB 0.568 39.571 39.000 0.006 0.000 1.123 190 F HN 0.274 nan 8.300 nan 0.000 0.508 191 L N 6.020 127.319 121.223 0.127 0.000 2.360 191 L HA 0.250 4.576 4.340 -0.025 0.000 0.265 191 L C -0.096 176.823 176.870 0.081 0.000 1.066 191 L CA -0.669 54.218 54.840 0.078 0.000 0.929 191 L CB 0.225 42.302 42.059 0.029 0.000 1.306 191 L HN 0.625 nan 8.230 nan 0.000 0.434 192 M N 0.705 120.357 119.600 0.087 0.000 2.206 192 M HA -0.216 4.249 4.480 -0.025 0.000 0.197 192 M C -0.008 176.336 176.300 0.073 0.000 0.375 192 M CA 0.892 56.230 55.300 0.063 0.000 0.410 192 M CB -2.351 30.272 32.600 0.038 0.000 1.204 192 M HN 0.757 nan 8.290 nan 0.000 0.932 193 S N -2.940 112.834 115.700 0.123 0.000 2.607 193 S HA 0.691 5.146 4.470 -0.025 0.000 0.273 193 S C 0.342 175.059 174.600 0.196 0.000 1.148 193 S CA -0.769 57.510 58.200 0.131 0.000 0.833 193 S CB 2.135 65.405 63.200 0.116 0.000 1.130 193 S HN 0.147 nan 8.310 nan 0.000 0.470 194 D N 0.820 121.310 120.400 0.150 0.000 2.123 194 D HA 0.124 4.750 4.640 -0.025 0.000 0.200 194 D C 0.156 176.640 176.300 0.305 0.000 0.976 194 D CA 1.277 55.371 54.000 0.157 0.000 0.831 194 D CB 0.023 40.877 40.800 0.089 0.000 0.974 194 D HN 0.494 nan 8.370 nan 0.000 0.469 195 K N 0.545 121.081 120.400 0.227 0.000 2.098 195 K HA 0.433 4.739 4.320 -0.025 0.000 0.258 195 K C -2.591 173.993 176.600 -0.028 0.000 0.973 195 K CA -1.907 54.476 56.287 0.161 0.000 0.898 195 K CB 1.587 34.126 32.500 0.064 0.000 1.057 195 K HN -0.099 nan 8.250 nan 0.000 0.447 196 P HA 0.161 nan 4.420 nan 0.000 0.281 196 P C -0.973 176.154 177.300 -0.290 0.000 1.249 196 P CA -0.595 62.077 63.100 -0.713 0.000 0.810 196 P CB 0.635 31.784 31.700 -0.919 0.000 1.008 197 L N 3.194 124.272 121.223 -0.241 0.000 2.283 197 L HA 0.232 4.558 4.340 -0.025 0.000 0.287 197 L C 0.168 176.978 176.870 -0.101 0.000 1.073 197 L CA -0.448 54.319 54.840 -0.121 0.000 0.822 197 L CB -0.155 41.846 42.059 -0.097 0.000 1.186 197 L HN 0.464 nan 8.230 nan 0.000 0.436 198 H N 6.414 125.396 119.070 -0.146 0.000 2.741 198 H HA 0.188 4.728 4.556 -0.027 0.000 0.282 198 H C -1.038 174.215 175.328 -0.125 0.000 1.122 198 H CA -0.722 55.246 56.048 -0.133 0.000 1.293 198 H CB 1.291 30.979 29.762 -0.124 0.000 1.415 198 H HN 0.498 nan 8.280 nan 0.000 0.472 199 L N 4.840 125.854 121.223 -0.349 0.000 2.350 199 L HA 0.344 4.669 4.340 -0.025 0.000 0.275 199 L C -0.459 176.217 176.870 -0.324 0.000 1.099 199 L CA -0.039 54.656 54.840 -0.241 0.000 0.808 199 L CB 1.150 43.118 42.059 -0.150 0.000 1.149 199 L HN 0.789 nan 8.230 nan 0.000 0.442 200 E N 3.725 123.856 120.200 -0.115 0.000 2.335 200 E HA 0.754 5.089 4.350 -0.025 0.000 0.280 200 E C -2.109 174.540 176.600 0.082 0.000 0.918 200 E CA -0.633 55.760 56.400 -0.012 0.000 0.765 200 E CB 1.737 31.517 29.700 0.134 0.000 1.218 200 E HN 0.962 nan 8.360 nan 0.000 0.425 201 A N 2.091 124.955 122.820 0.074 0.000 2.594 201 A HA 0.898 5.204 4.320 -0.025 0.000 0.291 201 A C -1.051 176.580 177.584 0.079 0.000 1.105 201 A CA -0.039 52.051 52.037 0.089 0.000 0.694 201 A CB 1.767 20.809 19.000 0.070 0.000 1.291 201 A HN 0.846 nan 8.150 nan 0.000 0.410 202 S N -0.944 114.802 115.700 0.078 0.000 2.703 202 S HA 0.829 5.284 4.470 -0.025 0.000 0.273 202 S C -1.437 173.203 174.600 0.067 0.000 1.178 202 S CA -0.741 57.501 58.200 0.071 0.000 0.838 202 S CB 0.536 63.777 63.200 0.068 0.000 1.178 202 S HN 1.055 nan 8.310 nan 0.000 0.494 203 L N 0.815 122.084 121.223 0.076 0.000 2.359 203 L HA 0.534 4.859 4.340 -0.025 0.000 0.256 203 L C 0.108 177.034 176.870 0.093 0.000 1.026 203 L CA -0.944 53.954 54.840 0.096 0.000 0.828 203 L CB 2.008 44.152 42.059 0.141 0.000 1.406 203 L HN 0.988 nan 8.230 nan 0.000 0.413 204 D N -0.488 119.981 120.400 0.114 0.000 2.347 204 D HA 0.014 4.639 4.640 -0.025 0.000 0.213 204 D C 0.028 176.318 176.300 -0.017 0.000 0.985 204 D CA 0.573 54.604 54.000 0.052 0.000 0.879 204 D CB 0.668 41.500 40.800 0.052 0.000 0.919 204 D HN 0.384 nan 8.370 nan 0.000 0.526 205 K N -0.559 119.814 120.400 -0.045 0.000 2.536 205 K HA 0.228 4.533 4.320 -0.025 0.000 0.269 205 K C 0.168 176.655 176.600 -0.189 0.000 0.965 205 K CA -0.601 55.503 56.287 -0.305 0.000 0.860 205 K CB 2.863 34.867 32.500 -0.827 0.000 1.423 205 K HN -0.207 nan 8.250 nan 0.000 0.438 206 E N 1.129 121.227 120.200 -0.169 0.000 2.162 206 E HA 0.133 4.468 4.350 -0.025 0.000 0.193 206 E C -0.205 176.387 176.600 -0.014 0.000 0.953 206 E CA 0.439 56.835 56.400 -0.006 0.000 0.849 206 E CB 0.460 30.156 29.700 -0.006 0.000 0.810 206 E HN 0.408 nan 8.360 nan 0.000 0.470 207 I N 2.179 122.612 120.570 -0.227 0.000 2.328 207 I HA 0.217 4.373 4.170 -0.025 0.000 0.287 207 I C -1.123 174.688 176.117 -0.511 0.000 1.012 207 I CA -0.619 60.522 61.300 -0.265 0.000 1.195 207 I CB 0.702 38.518 38.000 -0.306 0.000 1.350 207 I HN 0.044 nan 8.210 nan 0.000 0.464 208 Y N 5.291 125.471 120.300 -0.200 0.000 2.420 208 Y HA 0.467 5.002 4.550 -0.025 0.000 0.334 208 Y C -0.242 175.442 175.900 -0.360 0.000 1.094 208 Y CA -0.461 57.497 58.100 -0.237 0.000 1.126 208 Y CB 1.262 39.678 38.460 -0.074 0.000 1.217 208 Y HN 0.341 nan 8.280 nan 0.000 0.462 209 Y N -0.072 120.304 120.300 0.127 0.000 2.488 209 Y HA 0.327 4.862 4.550 -0.024 0.000 0.325 209 Y C 0.071 175.966 175.900 -0.009 0.000 1.204 209 Y CA -1.099 57.029 58.100 0.046 0.000 1.229 209 Y CB 0.656 39.175 38.460 0.099 0.000 1.274 209 Y HN 0.555 nan 8.280 nan 0.000 0.493 210 H N 0.112 119.294 119.070 0.187 0.000 2.972 210 H HA 0.244 4.785 4.556 -0.024 0.000 0.343 210 H C 1.097 176.471 175.328 0.077 0.000 1.054 210 H CA 1.610 57.704 56.048 0.076 0.000 1.412 210 H CB 0.216 29.966 29.762 -0.019 0.000 1.385 210 H HN 0.873 nan 8.280 nan 0.000 0.600 211 G N 1.806 110.711 108.800 0.176 0.000 2.267 211 G HA2 -0.352 3.593 3.960 -0.025 0.000 0.257 211 G HA3 -0.352 3.593 3.960 -0.025 0.000 0.257 211 G C 0.461 175.410 174.900 0.081 0.000 0.998 211 G CA 0.321 45.488 45.100 0.112 0.000 0.620 211 G HN 0.719 nan 8.290 nan 0.000 0.529 212 E N 2.023 122.290 120.200 0.112 0.000 2.316 212 E HA 0.441 4.776 4.350 -0.025 0.000 0.275 212 E C -2.290 174.346 176.600 0.060 0.000 1.029 212 E CA -1.851 54.619 56.400 0.116 0.000 0.871 212 E CB 0.873 30.697 29.700 0.206 0.000 1.022 212 E HN 0.189 nan 8.360 nan 0.000 0.418 213 P HA 0.132 nan 4.420 nan 0.000 0.276 213 P C -0.822 176.446 177.300 -0.053 0.000 1.235 213 P CA 0.182 63.269 63.100 -0.022 0.000 0.772 213 P CB 0.485 32.181 31.700 -0.007 0.000 0.871 214 I N 1.767 122.203 120.570 -0.223 0.000 2.331 214 I HA 0.196 4.351 4.170 -0.025 0.000 0.292 214 I C 0.235 176.242 176.117 -0.184 0.000 0.998 214 I CA -0.201 60.848 61.300 -0.419 0.000 1.267 214 I CB 1.069 38.551 38.000 -0.863 0.000 1.386 214 I HN 0.180 nan 8.210 nan 0.000 0.476 215 S N 5.563 121.224 115.700 -0.065 0.000 2.422 215 S HA 0.400 4.855 4.470 -0.025 0.000 0.308 215 S C -0.161 174.442 174.600 0.005 0.000 1.097 215 S CA -0.634 57.563 58.200 -0.005 0.000 1.099 215 S CB 1.242 64.459 63.200 0.029 0.000 0.976 215 S HN 0.310 nan 8.310 nan 0.000 0.471 216 V N 4.494 124.428 119.914 0.032 0.000 2.383 216 V HA 0.288 4.394 4.120 -0.025 0.000 0.275 216 V C -0.164 176.000 176.094 0.117 0.000 1.036 216 V CA -1.025 61.312 62.300 0.062 0.000 0.889 216 V CB 0.823 32.683 31.823 0.061 0.000 0.985 216 V HN 0.698 nan 8.190 nan 0.000 0.459 217 N N 4.223 122.978 118.700 0.093 0.000 2.602 217 N HA 0.249 4.974 4.740 -0.025 0.000 0.238 217 N C -0.433 175.162 175.510 0.142 0.000 1.084 217 N CA -0.111 52.995 53.050 0.093 0.000 0.952 217 N CB 1.294 39.816 38.487 0.058 0.000 1.244 217 N HN 0.430 nan 8.380 nan 0.000 0.512 218 V N 2.327 122.365 119.914 0.207 0.000 2.498 218 V HA 0.129 4.234 4.120 -0.025 0.000 0.279 218 V C -0.077 176.182 176.094 0.276 0.000 1.048 218 V CA -0.221 62.238 62.300 0.264 0.000 0.967 218 V CB 0.549 32.619 31.823 0.412 0.000 0.988 218 V HN 0.661 nan 8.190 nan 0.000 0.473 219 H N 3.639 122.800 119.070 0.152 0.000 3.017 219 H HA 0.651 5.194 4.556 -0.022 0.000 0.340 219 H C -1.612 173.827 175.328 0.186 0.000 1.014 219 H CA -0.593 55.537 56.048 0.136 0.000 1.341 219 H CB 1.778 31.591 29.762 0.085 0.000 1.739 219 H HN 0.336 nan 8.280 nan 0.000 0.506 220 V N 5.400 125.268 119.914 -0.078 0.000 2.447 220 V HA 0.273 4.378 4.120 -0.025 0.000 0.292 220 V C -0.096 175.945 176.094 -0.089 0.000 1.021 220 V CA -0.730 61.527 62.300 -0.072 0.000 0.850 220 V CB 1.656 33.535 31.823 0.094 0.000 1.005 220 V HN 0.935 nan 8.190 nan 0.000 0.426 221 T N 3.941 118.413 114.554 -0.137 0.000 2.794 221 T HA 0.162 4.497 4.350 -0.025 0.000 0.304 221 T C 0.361 175.056 174.700 -0.008 0.000 0.973 221 T CA -0.015 62.056 62.100 -0.049 0.000 0.972 221 T CB -0.194 68.632 68.868 -0.070 0.000 0.952 221 T HN 0.557 nan 8.240 nan 0.000 0.509 222 N N 3.520 122.224 118.700 0.005 0.000 2.555 222 N HA 0.105 4.831 4.740 -0.025 0.000 0.244 222 N C 0.506 176.013 175.510 -0.005 0.000 1.114 222 N CA -0.424 52.622 53.050 -0.006 0.000 0.963 222 N CB 0.179 38.664 38.487 -0.003 0.000 1.276 222 N HN 0.265 nan 8.380 nan 0.000 0.510 223 N N 0.653 119.342 118.700 -0.018 0.000 2.398 223 N HA -0.024 4.701 4.740 -0.025 0.000 0.188 223 N C 0.242 175.752 175.510 -0.001 0.000 1.122 223 N CA 0.183 53.227 53.050 -0.010 0.000 0.866 223 N CB 0.234 38.709 38.487 -0.021 0.000 0.970 223 N HN 0.633 nan 8.380 nan 0.000 0.462 224 T N -1.532 113.018 114.554 -0.006 0.000 2.897 224 T HA 0.208 4.543 4.350 -0.025 0.000 0.278 224 T C 0.993 175.700 174.700 0.012 0.000 0.981 224 T CA -0.730 61.376 62.100 0.009 0.000 0.973 224 T CB 0.924 69.793 68.868 0.002 0.000 1.092 224 T HN 0.225 nan 8.240 nan 0.000 0.543 225 N N -0.404 118.307 118.700 0.018 0.000 2.398 225 N HA 0.090 4.816 4.740 -0.025 0.000 0.188 225 N C 0.122 175.637 175.510 0.008 0.000 1.122 225 N CA -0.391 52.667 53.050 0.014 0.000 0.866 225 N CB 0.151 38.648 38.487 0.018 0.000 0.970 225 N HN 0.225 nan 8.380 nan 0.000 0.462 226 K N 0.706 121.108 120.400 0.004 0.000 2.154 226 K HA 0.238 4.544 4.320 -0.025 0.000 0.264 226 K C -0.298 176.295 176.600 -0.012 0.000 1.008 226 K CA -0.123 56.162 56.287 -0.003 0.000 0.937 226 K CB 1.160 33.658 32.500 -0.004 0.000 1.002 226 K HN -0.005 nan 8.250 nan 0.000 0.469 227 T N 0.800 115.344 114.554 -0.018 0.000 2.797 227 T HA 0.266 4.601 4.350 -0.025 0.000 0.279 227 T C -0.147 174.528 174.700 -0.043 0.000 0.991 227 T CA -0.689 61.394 62.100 -0.028 0.000 0.979 227 T CB 1.418 70.273 68.868 -0.022 0.000 0.943 227 T HN 0.116 nan 8.240 nan 0.000 0.444 228 V N 4.300 124.174 119.914 -0.066 0.000 2.455 228 V HA 0.208 4.313 4.120 -0.025 0.000 0.273 228 V C 1.506 177.545 176.094 -0.091 0.000 1.045 228 V CA -0.129 62.118 62.300 -0.087 0.000 0.976 228 V CB 1.115 32.861 31.823 -0.129 0.000 0.993 228 V HN 0.863 nan 8.190 nan 0.000 0.475 229 K N 4.571 124.928 120.400 -0.071 0.000 2.186 229 K HA 0.074 4.380 4.320 -0.025 0.000 0.202 229 K C 0.675 177.235 176.600 -0.066 0.000 1.052 229 K CA 0.841 57.093 56.287 -0.058 0.000 0.965 229 K CB 0.287 32.764 32.500 -0.039 0.000 0.746 229 K HN 0.815 nan 8.250 nan 0.000 0.457 230 K N -0.946 119.407 120.400 -0.079 0.000 2.614 230 K HA 0.352 4.657 4.320 -0.025 0.000 0.293 230 K C -1.364 175.175 176.600 -0.101 0.000 1.045 230 K CA -0.927 55.314 56.287 -0.077 0.000 0.880 230 K CB 1.083 33.554 32.500 -0.048 0.000 1.552 230 K HN -0.088 nan 8.250 nan 0.000 0.404 231 I N 1.138 121.645 120.570 -0.105 0.000 2.534 231 I HA 0.285 4.440 4.170 -0.025 0.000 0.286 231 I C -1.175 174.836 176.117 -0.178 0.000 1.094 231 I CA -0.852 60.357 61.300 -0.151 0.000 1.055 231 I CB 2.236 40.118 38.000 -0.196 0.000 1.225 231 I HN 0.454 nan 8.210 nan 0.000 0.435 232 K N 6.680 126.994 120.400 -0.143 0.000 2.253 232 K HA 0.549 4.854 4.320 -0.025 0.000 0.277 232 K C -0.713 175.797 176.600 -0.150 0.000 1.053 232 K CA -0.693 55.519 56.287 -0.125 0.000 0.892 232 K CB 1.643 34.101 32.500 -0.070 0.000 1.102 232 K HN 0.369 nan 8.250 nan 0.000 0.469 233 I N 2.315 122.773 120.570 -0.187 0.000 2.428 233 I HA 0.247 4.402 4.170 -0.025 0.000 0.296 233 I C 0.443 176.520 176.117 -0.066 0.000 0.985 233 I CA -0.341 60.868 61.300 -0.152 0.000 1.260 233 I CB 1.159 39.033 38.000 -0.211 0.000 1.389 233 I HN 0.643 nan 8.210 nan 0.000 0.484 234 S N 4.392 120.073 115.700 -0.030 0.000 2.548 234 S HA 0.564 5.019 4.470 -0.025 0.000 0.278 234 S C -1.080 173.543 174.600 0.039 0.000 1.150 234 S CA -0.839 57.365 58.200 0.005 0.000 0.907 234 S CB 1.247 64.451 63.200 0.005 0.000 1.108 234 S HN 0.211 nan 8.310 nan 0.000 0.459 235 V N 3.233 123.185 119.914 0.063 0.000 2.607 235 V HA 0.608 4.714 4.120 -0.025 0.000 0.289 235 V C 0.260 176.430 176.094 0.127 0.000 1.053 235 V CA -0.516 61.870 62.300 0.142 0.000 0.996 235 V CB 0.962 32.885 31.823 0.166 0.000 0.995 235 V HN 0.915 nan 8.190 nan 0.000 0.476 236 R N 3.205 123.796 120.500 0.151 0.000 2.575 236 R HA 0.472 4.797 4.340 -0.025 0.000 0.293 236 R C -0.877 175.312 176.300 -0.186 0.000 0.983 236 R CA -0.667 55.392 56.100 -0.068 0.000 0.887 236 R CB 2.347 32.555 30.300 -0.154 0.000 1.184 236 R HN 0.730 nan 8.270 nan 0.000 0.445 237 Q N 2.487 122.082 119.800 -0.342 0.000 2.230 237 Q HA 0.320 4.645 4.340 -0.025 0.000 0.248 237 Q C -1.392 174.200 176.000 -0.680 0.000 0.915 237 Q CA -0.462 55.020 55.803 -0.534 0.000 0.900 237 Q CB 1.072 29.590 28.738 -0.366 0.000 1.229 237 Q HN 0.571 nan 8.270 nan 0.000 0.439 238 Y N 0.375 120.505 120.300 -0.283 0.000 2.373 238 Y HA 0.609 5.144 4.550 -0.025 0.000 0.336 238 Y C -0.459 175.371 175.900 -0.117 0.000 0.979 238 Y CA -0.824 57.196 58.100 -0.134 0.000 1.080 238 Y CB 2.321 40.719 38.460 -0.102 0.000 1.190 238 Y HN 0.648 nan 8.280 nan 0.000 0.446 239 A N 2.886 125.779 122.820 0.121 0.000 2.357 239 A HA 0.607 4.912 4.320 -0.025 0.000 0.295 239 A C -1.592 176.100 177.584 0.181 0.000 1.121 239 A CA -0.827 51.280 52.037 0.117 0.000 0.742 239 A CB 0.569 19.626 19.000 0.095 0.000 1.181 239 A HN 0.617 nan 8.150 nan 0.000 0.454 240 D N 2.733 123.214 120.400 0.134 0.000 2.233 240 D HA 0.361 4.986 4.640 -0.025 0.000 0.240 240 D C 0.063 176.453 176.300 0.150 0.000 1.074 240 D CA -0.106 53.965 54.000 0.119 0.000 0.838 240 D CB 1.430 42.268 40.800 0.062 0.000 1.124 240 D HN 0.328 nan 8.370 nan 0.000 0.475 241 I N 1.904 122.583 120.570 0.180 0.000 2.322 241 I HA 0.073 4.228 4.170 -0.025 0.000 0.292 241 I C 0.934 177.111 176.117 0.099 0.000 1.060 241 I CA -0.426 61.007 61.300 0.222 0.000 1.309 241 I CB 0.244 38.448 38.000 0.340 0.000 1.415 241 I HN 0.399 nan 8.210 nan 0.000 0.492 242 C N 6.416 125.733 119.300 0.028 0.000 2.780 242 C HA 0.455 4.901 4.460 -0.025 0.000 0.287 242 C C 0.748 175.636 174.990 -0.170 0.000 1.288 242 C CA -0.247 58.734 59.018 -0.062 0.000 1.713 242 C CB -1.202 26.506 27.740 -0.054 0.000 1.955 242 C HN 0.568 nan 8.230 nan 0.000 0.613 243 L N -0.794 120.291 121.223 -0.231 0.000 2.472 243 L HA 0.460 4.785 4.340 -0.025 0.000 0.260 243 L C 0.412 177.207 176.870 -0.125 0.000 0.963 243 L CA -0.569 54.070 54.840 -0.334 0.000 0.829 243 L CB 1.831 43.350 42.059 -0.900 0.000 1.348 243 L HN 0.127 nan 8.230 nan 0.000 0.408 244 F N 1.713 121.402 119.950 -0.435 0.000 2.578 244 F HA -0.380 4.133 4.527 -0.025 0.000 0.656 244 F C 0.300 175.787 175.800 -0.522 0.000 0.490 244 F CA 2.214 59.813 58.000 -0.669 0.000 0.743 244 F CB -0.402 38.047 39.000 -0.919 0.000 1.626 244 F HN 0.667 nan 8.300 nan 0.000 0.260 245 N N 0.344 118.805 118.700 -0.398 0.000 2.653 245 N HA 0.242 4.967 4.740 -0.025 0.000 0.261 245 N C -1.118 174.349 175.510 -0.073 0.000 1.216 245 N CA 0.274 53.127 53.050 -0.329 0.000 0.784 245 N CB 1.039 39.319 38.487 -0.345 0.000 1.327 245 N HN 0.125 nan 8.380 nan 0.000 0.539 246 T N 1.924 116.419 114.554 -0.099 0.000 2.928 246 T HA 0.442 4.777 4.350 -0.025 0.000 0.305 246 T C 0.099 174.784 174.700 -0.025 0.000 1.035 246 T CA 0.216 62.291 62.100 -0.042 0.000 1.145 246 T CB 1.045 69.872 68.868 -0.069 0.000 0.963 246 T HN 0.621 nan 8.240 nan 0.000 0.545 247 A N 2.996 125.814 122.820 -0.002 0.000 2.586 247 A HA 0.665 4.970 4.320 -0.025 0.000 0.291 247 A C -1.866 175.674 177.584 -0.074 0.000 1.062 247 A CA -1.077 50.916 52.037 -0.074 0.000 0.666 247 A CB 1.423 20.357 19.000 -0.111 0.000 1.281 247 A HN 0.586 nan 8.150 nan 0.000 0.421 248 Q N 0.327 120.019 119.800 -0.180 0.000 2.294 248 Q HA 0.587 4.912 4.340 -0.025 0.000 0.264 248 Q C -1.771 174.127 176.000 -0.170 0.000 0.992 248 Q CA -0.020 55.733 55.803 -0.084 0.000 0.747 248 Q CB 1.599 30.321 28.738 -0.026 0.000 1.262 248 Q HN 0.603 nan 8.270 nan 0.000 0.452 249 Y N 1.275 121.607 120.300 0.053 0.000 2.376 249 Y HA 0.577 5.112 4.550 -0.024 0.000 0.325 249 Y C 0.192 176.097 175.900 0.008 0.000 1.199 249 Y CA -0.504 57.611 58.100 0.025 0.000 1.206 249 Y CB 1.512 39.976 38.460 0.007 0.000 1.229 249 Y HN 0.364 nan 8.280 nan 0.000 0.480 250 K N 0.910 121.383 120.400 0.122 0.000 2.525 250 K HA 0.764 5.069 4.320 -0.025 0.000 0.254 250 K C -1.980 174.562 176.600 -0.097 0.000 0.934 250 K CA -0.699 55.537 56.287 -0.085 0.000 0.802 250 K CB 1.746 34.216 32.500 -0.049 0.000 1.295 250 K HN 0.678 nan 8.250 nan 0.000 0.433 251 C N 2.837 122.019 119.300 -0.197 0.000 2.931 251 C HA 0.479 4.924 4.460 -0.025 0.000 0.370 251 C C -2.921 171.991 174.990 -0.129 0.000 1.071 251 C CA -1.183 57.764 59.018 -0.118 0.000 1.266 251 C CB 1.521 29.216 27.740 -0.074 0.000 1.691 251 C HN 0.768 nan 8.230 nan 0.000 0.511 252 P HA 0.148 nan 4.420 nan 0.000 0.271 252 P C 0.478 177.760 177.300 -0.030 0.000 1.233 252 P CA 0.099 63.170 63.100 -0.048 0.000 0.764 252 P CB 0.625 32.306 31.700 -0.031 0.000 0.825 253 V N 0.771 120.692 119.914 0.012 0.000 3.621 253 V HA 0.671 4.776 4.120 -0.025 0.000 0.285 253 V C 0.480 176.592 176.094 0.029 0.000 1.346 253 V CA 0.188 62.495 62.300 0.013 0.000 1.104 253 V CB -0.803 31.083 31.823 0.105 0.000 0.913 253 V HN 0.531 nan 8.190 nan 0.000 0.432 254 A N 0.736 123.590 122.820 0.057 0.000 2.582 254 A HA 0.852 5.158 4.320 -0.025 0.000 0.297 254 A C -1.271 176.351 177.584 0.064 0.000 1.059 254 A CA -0.258 51.842 52.037 0.104 0.000 0.705 254 A CB 1.985 21.064 19.000 0.132 0.000 1.279 254 A HN 0.642 nan 8.150 nan 0.000 0.404 255 M N 1.433 121.075 119.600 0.070 0.000 2.421 255 M HA 0.736 5.201 4.480 -0.025 0.000 0.287 255 M C -1.494 174.827 176.300 0.036 0.000 1.183 255 M CA -0.063 55.258 55.300 0.036 0.000 0.916 255 M CB 1.899 34.513 32.600 0.024 0.000 1.701 255 M HN 0.835 nan 8.290 nan 0.000 0.470 256 E N 2.899 123.103 120.200 0.006 0.000 2.404 256 E HA 0.281 4.616 4.350 -0.025 0.000 0.298 256 E C -1.653 174.931 176.600 -0.027 0.000 0.908 256 E CA -0.171 56.234 56.400 0.008 0.000 0.808 256 E CB 1.154 30.869 29.700 0.025 0.000 1.380 256 E HN 0.823 nan 8.360 nan 0.000 0.392 257 E N 2.838 123.032 120.200 -0.009 0.000 2.046 257 E HA 0.426 4.761 4.350 -0.025 0.000 0.279 257 E C -0.693 175.909 176.600 0.003 0.000 0.989 257 E CA -0.516 55.870 56.400 -0.022 0.000 0.798 257 E CB 1.486 31.178 29.700 -0.013 0.000 1.086 257 E HN 0.432 nan 8.360 nan 0.000 0.399 258 A N 3.416 126.234 122.820 -0.003 0.000 2.276 258 A HA 0.129 4.434 4.320 -0.025 0.000 0.300 258 A C 0.329 177.936 177.584 0.039 0.000 1.235 258 A CA -0.633 51.451 52.037 0.078 0.000 0.867 258 A CB 0.406 19.551 19.000 0.242 0.000 1.137 258 A HN 0.540 nan 8.150 nan 0.000 0.527 259 D N 1.747 122.172 120.400 0.042 0.000 2.346 259 D HA 0.005 4.630 4.640 -0.025 0.000 0.248 259 D C -0.512 175.795 176.300 0.011 0.000 1.173 259 D CA 0.477 54.486 54.000 0.015 0.000 0.878 259 D CB 0.051 40.860 40.800 0.016 0.000 0.919 259 D HN 0.473 nan 8.370 nan 0.000 0.513 260 D N 0.463 120.881 120.400 0.030 0.000 2.425 260 D HA 0.046 4.671 4.640 -0.025 0.000 0.247 260 D C 0.559 176.775 176.300 -0.140 0.000 1.147 260 D CA 0.569 54.569 54.000 0.001 0.000 0.879 260 D CB 0.928 41.791 40.800 0.105 0.000 1.179 260 D HN -0.109 nan 8.370 nan 0.000 0.456 261 T N 0.795 115.270 114.554 -0.131 0.000 2.927 261 T HA 0.550 4.885 4.350 -0.025 0.000 0.281 261 T C -0.088 174.461 174.700 -0.253 0.000 0.998 261 T CA -0.695 61.313 62.100 -0.154 0.000 1.019 261 T CB 1.389 70.219 68.868 -0.063 0.000 1.061 261 T HN 0.003 nan 8.240 nan 0.000 0.518 262 V N 1.710 121.506 119.914 -0.197 0.000 2.445 262 V HA 0.576 4.682 4.120 -0.025 0.000 0.283 262 V C 0.324 176.387 176.094 -0.052 0.000 1.014 262 V CA -1.221 60.989 62.300 -0.151 0.000 0.852 262 V CB 0.965 32.663 31.823 -0.207 0.000 1.021 262 V HN 1.155 nan 8.190 nan 0.000 0.435 263 A N 7.140 129.957 122.820 -0.004 0.000 2.466 263 A HA 0.617 4.922 4.320 -0.025 0.000 0.238 263 A C -2.398 175.191 177.584 0.009 0.000 1.074 263 A CA -0.902 51.139 52.037 0.006 0.000 0.774 263 A CB -0.140 18.874 19.000 0.023 0.000 1.015 263 A HN 0.598 nan 8.150 nan 0.000 0.498 264 P HA 0.163 nan 4.420 nan 0.000 0.265 264 P C 0.436 177.746 177.300 0.016 0.000 1.193 264 P CA 0.903 64.008 63.100 0.008 0.000 0.765 264 P CB 0.759 32.464 31.700 0.008 0.000 0.823 265 S N -0.681 115.028 115.700 0.016 0.000 2.981 265 S HA -0.178 4.277 4.470 -0.025 0.000 0.274 265 S C 0.509 175.127 174.600 0.029 0.000 1.297 265 S CA 1.500 59.712 58.200 0.020 0.000 1.266 265 S CB -2.135 61.077 63.200 0.019 0.000 1.542 265 S HN 0.820 nan 8.310 nan 0.000 0.674 266 S N 0.405 116.128 115.700 0.038 0.000 2.565 266 S HA 0.706 5.161 4.470 -0.025 0.000 0.290 266 S C -0.047 174.603 174.600 0.084 0.000 1.150 266 S CA -0.414 57.822 58.200 0.060 0.000 1.058 266 S CB 1.909 65.150 63.200 0.068 0.000 1.032 266 S HN 0.164 nan 8.310 nan 0.000 0.510 267 T N 2.725 117.341 114.554 0.105 0.000 2.922 267 T HA 0.593 4.928 4.350 -0.025 0.000 0.285 267 T C -1.083 173.757 174.700 0.233 0.000 1.005 267 T CA -0.191 61.996 62.100 0.145 0.000 1.061 267 T CB 0.233 69.186 68.868 0.141 0.000 1.007 267 T HN 0.598 nan 8.240 nan 0.000 0.502 268 F N 1.283 121.286 119.950 0.088 0.000 2.601 268 F HA 0.629 5.141 4.527 -0.024 0.000 0.309 268 F C -1.450 174.453 175.800 0.172 0.000 1.089 268 F CA -0.806 57.253 58.000 0.097 0.000 0.940 268 F CB 1.296 40.335 39.000 0.066 0.000 1.273 268 F HN 0.601 nan 8.300 nan 0.000 0.450 269 C N 4.016 122.784 119.300 -0.886 0.000 3.082 269 C HA 0.814 5.259 4.460 -0.025 0.000 0.324 269 C C -1.142 173.354 174.990 -0.823 0.000 1.210 269 C CA -1.265 57.427 59.018 -0.544 0.000 1.366 269 C CB 1.784 29.392 27.740 -0.220 0.000 1.756 269 C HN 0.926 nan 8.230 nan 0.000 0.485 270 K N 1.478 121.636 120.400 -0.403 0.000 2.622 270 K HA 0.445 4.751 4.320 -0.025 0.000 0.263 270 K C -2.020 174.459 176.600 -0.203 0.000 0.947 270 K CA -0.406 55.667 56.287 -0.356 0.000 0.885 270 K CB 1.272 33.512 32.500 -0.434 0.000 1.362 270 K HN 0.446 nan 8.250 nan 0.000 0.413 271 V N 5.311 125.089 119.914 -0.228 0.000 2.334 271 V HA 0.307 4.412 4.120 -0.025 0.000 0.267 271 V C -0.636 175.350 176.094 -0.180 0.000 1.040 271 V CA -0.366 61.865 62.300 -0.115 0.000 0.866 271 V CB -0.148 31.630 31.823 -0.074 0.000 1.019 271 V HN 0.547 nan 8.190 nan 0.000 0.468 272 Y N 2.536 122.843 120.300 0.012 0.000 2.326 272 Y HA 0.588 5.124 4.550 -0.024 0.000 0.324 272 Y C 0.949 176.837 175.900 -0.019 0.000 1.291 272 Y CA -0.243 57.861 58.100 0.007 0.000 1.348 272 Y CB 1.417 39.889 38.460 0.021 0.000 1.294 272 Y HN 0.465 nan 8.280 nan 0.000 0.525 273 T N 3.277 117.914 114.554 0.139 0.000 3.105 273 T HA 0.625 4.960 4.350 -0.025 0.000 0.321 273 T C -1.764 172.948 174.700 0.020 0.000 1.135 273 T CA -0.716 61.407 62.100 0.038 0.000 1.053 273 T CB 0.879 69.751 68.868 0.007 0.000 1.133 273 T HN 0.429 nan 8.240 nan 0.000 0.463 274 L N 0.307 121.512 121.223 -0.031 0.000 2.479 274 L HA 0.957 5.282 4.340 -0.025 0.000 0.255 274 L C -0.600 176.232 176.870 -0.064 0.000 1.026 274 L CA -0.838 53.984 54.840 -0.030 0.000 0.842 274 L CB 1.166 43.223 42.059 -0.002 0.000 1.444 274 L HN 0.465 nan 8.230 nan 0.000 0.409 275 T N 0.752 115.291 114.554 -0.025 0.000 2.890 275 T HA 0.627 4.962 4.350 -0.025 0.000 0.295 275 T C -2.794 172.006 174.700 0.167 0.000 0.993 275 T CA -0.876 61.222 62.100 -0.004 0.000 0.979 275 T CB 1.689 70.526 68.868 -0.051 0.000 0.967 275 T HN 0.471 nan 8.240 nan 0.000 0.441 276 P HA 0.354 nan 4.420 nan 0.000 0.267 276 P C -0.928 176.583 177.300 0.353 0.000 1.209 276 P CA -0.239 63.002 63.100 0.235 0.000 0.763 276 P CB -0.098 31.665 31.700 0.105 0.000 0.816 277 F N 1.111 121.089 119.950 0.047 0.000 2.588 277 F HA 0.389 4.901 4.527 -0.025 0.000 0.318 277 F C 0.465 176.298 175.800 0.055 0.000 1.155 277 F CA -1.336 56.697 58.000 0.054 0.000 0.967 277 F CB 0.800 39.822 39.000 0.036 0.000 1.236 277 F HN 0.024 nan 8.300 nan 0.000 0.455 278 L N 4.492 125.738 121.223 0.038 0.000 2.191 278 L HA 0.041 4.366 4.340 -0.025 0.000 0.212 278 L C 2.214 179.020 176.870 -0.106 0.000 1.103 278 L CA 2.249 57.062 54.840 -0.045 0.000 0.769 278 L CB -0.840 41.235 42.059 0.027 0.000 0.908 278 L HN 0.918 nan 8.230 nan 0.000 0.438 279 A N -0.072 122.743 122.820 -0.009 0.000 1.903 279 A HA -0.265 4.040 4.320 -0.025 0.000 0.219 279 A C 1.738 179.245 177.584 -0.127 0.000 1.191 279 A CA 1.884 53.952 52.037 0.052 0.000 0.638 279 A CB -1.860 17.354 19.000 0.358 0.000 0.823 279 A HN 0.648 nan 8.150 nan 0.000 0.451 280 N N -0.718 117.647 118.700 -0.558 0.000 3.034 280 N HA 0.457 5.182 4.740 -0.025 0.000 0.265 280 N C 0.005 175.281 175.510 -0.389 0.000 1.166 280 N CA 1.023 53.772 53.050 -0.501 0.000 1.081 280 N CB -0.898 37.145 38.487 -0.740 0.000 1.378 280 N HN 1.194 nan 8.380 nan 0.000 0.520 281 N N -0.101 118.473 118.700 -0.209 0.000 1.850 281 N HA 0.012 4.737 4.740 -0.025 0.000 0.225 281 N C 1.543 176.997 175.510 -0.093 0.000 1.455 281 N CA 0.081 53.043 53.050 -0.146 0.000 0.689 281 N CB -0.221 38.180 38.487 -0.143 0.000 1.034 281 N HN 0.344 nan 8.380 nan 0.000 0.581 282 R N 1.061 121.513 120.500 -0.079 0.000 2.127 282 R HA 0.028 4.353 4.340 -0.025 0.000 0.238 282 R C 1.016 177.284 176.300 -0.052 0.000 1.134 282 R CA 1.531 57.597 56.100 -0.056 0.000 0.975 282 R CB -0.077 30.199 30.300 -0.040 0.000 0.865 282 R HN 0.734 nan 8.270 nan 0.000 0.447 283 E N -0.057 120.111 120.200 -0.052 0.000 2.465 283 E HA 0.058 4.393 4.350 -0.025 0.000 0.195 283 E C -0.327 176.246 176.600 -0.046 0.000 1.028 283 E CA -0.108 56.266 56.400 -0.043 0.000 0.899 283 E CB 0.469 30.150 29.700 -0.033 0.000 1.032 283 E HN -0.015 nan 8.360 nan 0.000 0.468 284 K N 1.824 122.190 120.400 -0.058 0.000 2.174 284 K HA 0.244 4.549 4.320 -0.025 0.000 0.275 284 K C 0.223 176.786 176.600 -0.061 0.000 1.015 284 K CA -0.445 55.807 56.287 -0.058 0.000 0.933 284 K CB 1.179 33.637 32.500 -0.070 0.000 1.025 284 K HN 0.052 nan 8.250 nan 0.000 0.463 285 R N -0.896 119.575 120.500 -0.049 0.000 2.474 285 R HA 0.516 4.841 4.340 -0.025 0.000 0.295 285 R C -0.024 176.222 176.300 -0.089 0.000 0.980 285 R CA -0.064 56.002 56.100 -0.057 0.000 0.934 285 R CB 0.794 31.084 30.300 -0.016 0.000 1.101 285 R HN 0.621 nan 8.270 nan 0.000 0.469 286 G N 1.952 110.628 108.800 -0.206 0.000 2.434 286 G HA2 -0.062 3.883 3.960 -0.025 0.000 0.224 286 G HA3 -0.062 3.883 3.960 -0.025 0.000 0.224 286 G C -1.188 173.542 174.900 -0.282 0.000 0.807 286 G CA 0.274 45.097 45.100 -0.461 0.000 1.113 286 G HN 0.796 nan 8.290 nan 0.000 0.327 287 L N 2.111 123.184 121.223 -0.250 0.000 2.588 287 L HA 0.765 5.090 4.340 -0.025 0.000 0.263 287 L C 0.132 176.942 176.870 -0.100 0.000 0.935 287 L CA 0.071 54.830 54.840 -0.135 0.000 0.891 287 L CB 1.731 43.736 42.059 -0.090 0.000 1.318 287 L HN 1.497 nan 8.230 nan 0.000 0.409 288 A N 6.093 128.881 122.820 -0.054 0.000 2.396 288 A HA 0.649 4.954 4.320 -0.025 0.000 0.279 288 A C -0.632 176.981 177.584 0.048 0.000 1.165 288 A CA -0.141 51.893 52.037 -0.004 0.000 0.824 288 A CB -0.330 18.683 19.000 0.020 0.000 1.100 288 A HN 0.693 nan 8.150 nan 0.000 0.516 289 L N 1.896 123.141 121.223 0.036 0.000 2.334 289 L HA 0.388 4.713 4.340 -0.025 0.000 0.270 289 L C 0.716 177.636 176.870 0.084 0.000 1.018 289 L CA -0.887 53.990 54.840 0.061 0.000 0.811 289 L CB 1.523 43.595 42.059 0.021 0.000 1.271 289 L HN 0.831 nan 8.230 nan 0.000 0.443 290 D N -0.505 119.957 120.400 0.104 0.000 2.328 290 D HA 0.214 4.840 4.640 -0.025 0.000 0.226 290 D C 0.392 176.744 176.300 0.087 0.000 1.066 290 D CA 0.140 54.207 54.000 0.111 0.000 0.861 290 D CB 0.665 41.549 40.800 0.139 0.000 0.912 290 D HN 0.607 nan 8.370 nan 0.000 0.521 291 G N -0.771 108.073 108.800 0.073 0.000 2.490 291 G HA2 0.282 4.227 3.960 -0.025 0.000 0.308 291 G HA3 0.282 4.227 3.960 -0.025 0.000 0.308 291 G C -1.238 173.690 174.900 0.047 0.000 1.286 291 G CA -0.995 44.157 45.100 0.087 0.000 0.825 291 G HN -0.061 nan 8.290 nan 0.000 0.479 292 K N 0.244 120.677 120.400 0.055 0.000 2.355 292 K HA 0.183 4.488 4.320 -0.025 0.000 0.270 292 K C 1.278 177.770 176.600 -0.179 0.000 1.003 292 K CA -0.631 55.573 56.287 -0.138 0.000 0.957 292 K CB 1.701 33.957 32.500 -0.407 0.000 0.939 292 K HN 0.386 nan 8.250 nan 0.000 0.482 293 L N 3.873 124.995 121.223 -0.169 0.000 2.201 293 L HA -0.185 4.140 4.340 -0.025 0.000 0.212 293 L C 1.953 178.738 176.870 -0.143 0.000 1.105 293 L CA 1.809 56.575 54.840 -0.123 0.000 0.775 293 L CB -0.347 41.650 42.059 -0.103 0.000 0.913 293 L HN 0.666 nan 8.230 nan 0.000 0.440 294 K N -1.914 118.335 120.400 -0.251 0.000 2.167 294 K HA -0.055 4.250 4.320 -0.025 0.000 0.203 294 K C 0.277 176.805 176.600 -0.120 0.000 1.052 294 K CA 0.270 56.435 56.287 -0.203 0.000 0.956 294 K CB -0.686 31.675 32.500 -0.231 0.000 0.735 294 K HN 0.288 nan 8.250 nan 0.000 0.451 295 H N 2.120 121.179 119.070 -0.017 0.000 2.790 295 H HA 0.078 4.619 4.556 -0.025 0.000 0.358 295 H C 0.789 176.106 175.328 -0.018 0.000 1.103 295 H CA 0.156 56.190 56.048 -0.022 0.000 1.426 295 H CB 0.956 30.699 29.762 -0.032 0.000 1.424 295 H HN 0.276 nan 8.280 nan 0.000 0.599 296 E N 0.745 121.013 120.200 0.114 0.000 2.076 296 E HA -0.124 4.212 4.350 -0.025 0.000 0.190 296 E C 0.915 177.541 176.600 0.043 0.000 0.979 296 E CA 0.949 57.383 56.400 0.056 0.000 0.807 296 E CB 0.154 29.875 29.700 0.035 0.000 0.761 296 E HN 0.638 nan 8.360 nan 0.000 0.454 297 D N 0.902 121.324 120.400 0.035 0.000 2.390 297 D HA -0.063 4.562 4.640 -0.025 0.000 0.235 297 D C 0.209 176.532 176.300 0.039 0.000 1.040 297 D CA 0.393 54.403 54.000 0.016 0.000 0.923 297 D CB -0.484 40.299 40.800 -0.028 0.000 0.886 297 D HN -0.150 nan 8.370 nan 0.000 0.532 298 T N 0.791 115.380 114.554 0.057 0.000 2.904 298 T HA 0.340 4.676 4.350 -0.025 0.000 0.290 298 T C 0.199 174.908 174.700 0.015 0.000 1.018 298 T CA -0.423 61.709 62.100 0.054 0.000 1.075 298 T CB 1.047 69.951 68.868 0.061 0.000 0.986 298 T HN 0.110 nan 8.240 nan 0.000 0.523 299 N N 0.272 118.973 118.700 0.002 0.000 3.204 299 N HA 0.402 5.127 4.740 -0.025 0.000 0.285 299 N C -0.971 174.573 175.510 0.057 0.000 1.536 299 N CA -0.790 52.236 53.050 -0.041 0.000 0.832 299 N CB 1.008 39.294 38.487 -0.336 0.000 1.645 299 N HN 0.363 nan 8.380 nan 0.000 0.586 300 L N 1.407 122.727 121.223 0.161 0.000 2.485 300 L HA 0.238 4.563 4.340 -0.025 0.000 0.275 300 L C 1.017 178.108 176.870 0.369 0.000 1.207 300 L CA -0.342 54.662 54.840 0.273 0.000 0.855 300 L CB 0.177 42.433 42.059 0.327 0.000 1.114 300 L HN 0.590 nan 8.230 nan 0.000 0.485 301 A N 2.977 125.984 122.820 0.312 0.000 2.546 301 A HA 0.250 4.555 4.320 -0.025 0.000 0.243 301 A C 0.650 178.480 177.584 0.410 0.000 1.063 301 A CA -0.226 51.990 52.037 0.299 0.000 0.757 301 A CB -0.041 19.079 19.000 0.200 0.000 0.991 301 A HN 0.802 nan 8.150 nan 0.000 0.503 302 S N 2.920 118.845 115.700 0.375 0.000 2.584 302 S HA 0.312 4.767 4.470 -0.025 0.000 0.270 302 S C 0.450 175.219 174.600 0.281 0.000 1.346 302 S CA -0.254 58.147 58.200 0.335 0.000 1.018 302 S CB 0.380 63.779 63.200 0.332 0.000 0.899 302 S HN 0.743 nan 8.310 nan 0.000 0.542 303 S N 1.717 117.556 115.700 0.232 0.000 2.549 303 S HA 0.188 4.643 4.470 -0.025 0.000 0.286 303 S C 0.324 174.997 174.600 0.123 0.000 1.314 303 S CA -0.347 57.960 58.200 0.179 0.000 1.062 303 S CB 0.092 63.358 63.200 0.109 0.000 0.865 303 S HN 0.771 nan 8.310 nan 0.000 0.498 304 T N 4.939 119.551 114.554 0.096 0.000 2.794 304 T HA 0.216 4.551 4.350 -0.025 0.000 0.296 304 T C -0.050 174.686 174.700 0.060 0.000 0.949 304 T CA -0.486 61.663 62.100 0.082 0.000 1.101 304 T CB 0.117 69.030 68.868 0.074 0.000 0.905 304 T HN 0.255 nan 8.240 nan 0.000 0.516 305 L N 4.677 125.935 121.223 0.060 0.000 2.281 305 L HA 0.369 4.694 4.340 -0.025 0.000 0.285 305 L C 0.254 177.147 176.870 0.039 0.000 1.074 305 L CA -0.063 54.804 54.840 0.045 0.000 0.817 305 L CB 0.395 42.480 42.059 0.044 0.000 1.168 305 L HN 0.544 nan 8.230 nan 0.000 0.434 306 L N 5.112 126.353 121.223 0.030 0.000 2.305 306 L HA 0.339 4.664 4.340 -0.025 0.000 0.281 306 L C 1.010 177.894 176.870 0.023 0.000 1.085 306 L CA -0.353 54.502 54.840 0.025 0.000 0.813 306 L CB 0.925 42.995 42.059 0.017 0.000 1.157 306 L HN 0.564 nan 8.230 nan 0.000 0.436 307 R N 2.186 122.700 120.500 0.024 0.000 2.721 307 R HA 0.104 4.429 4.340 -0.025 0.000 0.296 307 R C 0.290 176.601 176.300 0.018 0.000 1.174 307 R CA -0.163 55.951 56.100 0.023 0.000 1.129 307 R CB 0.183 30.499 30.300 0.026 0.000 1.316 307 R HN 0.722 nan 8.270 nan 0.000 0.571 308 E N 0.396 120.605 120.200 0.015 0.000 4.027 308 E HA -0.255 4.080 4.350 -0.025 0.000 0.194 308 E C 1.042 177.648 176.600 0.011 0.000 1.213 308 E CA 2.125 58.533 56.400 0.012 0.000 2.285 308 E CB -1.683 28.024 29.700 0.013 0.000 1.825 308 E HN 0.451 nan 8.360 nan 0.000 0.363 309 G N 0.148 108.956 108.800 0.013 0.000 3.141 309 G HA2 0.507 4.452 3.960 -0.025 0.000 0.218 309 G HA3 0.507 4.452 3.960 -0.025 0.000 0.218 309 G C 0.368 175.276 174.900 0.014 0.000 1.170 309 G CA 0.474 45.581 45.100 0.012 0.000 0.769 309 G HN 0.655 nan 8.290 nan 0.000 0.546 310 A N 0.585 123.414 122.820 0.016 0.000 2.445 310 A HA 0.373 4.678 4.320 -0.025 0.000 0.242 310 A C 0.374 177.967 177.584 0.016 0.000 1.075 310 A CA -0.389 51.660 52.037 0.019 0.000 0.777 310 A CB 0.262 19.276 19.000 0.024 0.000 1.013 310 A HN 0.217 nan 8.150 nan 0.000 0.493 311 N N 0.720 119.430 118.700 0.017 0.000 2.402 311 N HA 0.025 4.750 4.740 -0.025 0.000 0.252 311 N C 1.262 176.779 175.510 0.011 0.000 1.118 311 N CA -0.142 52.915 53.050 0.012 0.000 0.945 311 N CB 0.553 39.048 38.487 0.012 0.000 1.147 311 N HN 0.684 nan 8.380 nan 0.000 0.495 312 R N 2.663 123.167 120.500 0.006 0.000 2.236 312 R HA 0.013 4.338 4.340 -0.025 0.000 0.208 312 R C 1.140 177.437 176.300 -0.005 0.000 1.036 312 R CA 0.790 56.894 56.100 0.007 0.000 1.001 312 R CB -0.021 30.282 30.300 0.005 0.000 0.896 312 R HN 0.589 nan 8.270 nan 0.000 0.464 313 E N 1.913 122.103 120.200 -0.016 0.000 2.072 313 E HA -0.138 4.197 4.350 -0.025 0.000 0.191 313 E C 1.964 178.530 176.600 -0.056 0.000 0.985 313 E CA 1.448 57.823 56.400 -0.040 0.000 0.801 313 E CB -0.064 29.613 29.700 -0.038 0.000 0.750 313 E HN 0.641 nan 8.360 nan 0.000 0.452 314 I N -1.303 119.253 120.570 -0.025 0.000 3.444 314 I HA -0.039 4.116 4.170 -0.025 0.000 0.287 314 I C 1.619 177.739 176.117 0.004 0.000 1.302 314 I CA 0.387 61.678 61.300 -0.015 0.000 1.368 314 I CB -0.129 37.880 38.000 0.015 0.000 1.048 314 I HN 0.046 nan 8.210 nan 0.000 0.487 315 L N 1.536 122.766 121.223 0.011 0.000 2.552 315 L HA 0.184 4.509 4.340 -0.025 0.000 0.227 315 L C 2.065 178.982 176.870 0.077 0.000 1.146 315 L CA 0.885 55.757 54.840 0.052 0.000 0.858 315 L CB -0.574 41.518 42.059 0.055 0.000 0.969 315 L HN 0.649 nan 8.230 nan 0.000 0.451 316 G N 1.126 109.918 108.800 -0.014 0.000 4.148 316 G HA2 -0.341 3.604 3.960 -0.025 0.000 0.221 316 G HA3 -0.341 3.604 3.960 -0.025 0.000 0.221 316 G C 0.371 175.358 174.900 0.144 0.000 1.373 316 G CA 0.408 45.480 45.100 -0.047 0.000 0.940 316 G HN 0.255 nan 8.290 nan 0.000 0.610 317 I N 1.627 122.325 120.570 0.214 0.000 2.548 317 I HA 0.376 4.531 4.170 -0.025 0.000 0.287 317 I C -0.802 175.397 176.117 0.136 0.000 1.103 317 I CA -0.924 60.500 61.300 0.205 0.000 1.049 317 I CB 2.019 40.171 38.000 0.254 0.000 1.232 317 I HN 0.016 nan 8.210 nan 0.000 0.429 318 I N 7.079 127.710 120.570 0.103 0.000 2.297 318 I HA 0.328 4.483 4.170 -0.025 0.000 0.291 318 I C 0.171 176.324 176.117 0.059 0.000 1.033 318 I CA -0.557 60.786 61.300 0.073 0.000 1.253 318 I CB 1.112 39.141 38.000 0.049 0.000 1.396 318 I HN 0.128 nan 8.210 nan 0.000 0.476 319 V N 6.055 125.998 119.914 0.049 0.000 2.617 319 V HA 0.722 4.827 4.120 -0.025 0.000 0.298 319 V C 0.373 176.438 176.094 -0.049 0.000 1.048 319 V CA -0.307 61.986 62.300 -0.013 0.000 0.964 319 V CB 1.780 33.614 31.823 0.017 0.000 1.004 319 V HN 0.962 nan 8.190 nan 0.000 0.466 320 S N 2.809 118.397 115.700 -0.186 0.000 2.588 320 S HA 0.815 5.270 4.470 -0.025 0.000 0.269 320 S C -1.699 172.675 174.600 -0.377 0.000 1.157 320 S CA -0.809 57.305 58.200 -0.144 0.000 0.824 320 S CB 1.624 64.806 63.200 -0.030 0.000 1.126 320 S HN 0.443 nan 8.310 nan 0.000 0.464 321 Y N -0.184 120.034 120.300 -0.137 0.000 2.553 321 Y HA 0.744 5.279 4.550 -0.025 0.000 0.347 321 Y C -0.267 175.568 175.900 -0.110 0.000 1.019 321 Y CA -0.752 57.215 58.100 -0.221 0.000 1.032 321 Y CB 2.486 40.518 38.460 -0.714 0.000 1.284 321 Y HN 0.739 nan 8.280 nan 0.000 0.466 322 K N 1.560 122.173 120.400 0.355 0.000 2.550 322 K HA 0.517 4.822 4.320 -0.025 0.000 0.252 322 K C -1.714 175.142 176.600 0.427 0.000 0.943 322 K CA -0.763 55.774 56.287 0.416 0.000 0.806 322 K CB 2.816 35.524 32.500 0.347 0.000 1.289 322 K HN 0.333 nan 8.250 nan 0.000 0.435 323 V N 2.680 122.816 119.914 0.370 0.000 2.732 323 V HA 0.274 4.379 4.120 -0.025 0.000 0.297 323 V C -0.013 176.154 176.094 0.122 0.000 1.060 323 V CA -0.181 62.219 62.300 0.166 0.000 1.038 323 V CB 1.189 33.021 31.823 0.014 0.000 1.003 323 V HN 0.639 nan 8.190 nan 0.000 0.481 324 K N 3.548 123.992 120.400 0.072 0.000 2.579 324 K HA 0.547 4.853 4.320 -0.025 0.000 0.250 324 K C -1.525 175.076 176.600 0.001 0.000 0.952 324 K CA -0.485 55.832 56.287 0.050 0.000 0.857 324 K CB 1.854 34.394 32.500 0.067 0.000 1.123 324 K HN 0.487 nan 8.250 nan 0.000 0.433 325 V N 3.875 123.784 119.914 -0.010 0.000 2.509 325 V HA 0.391 4.496 4.120 -0.025 0.000 0.284 325 V C -0.153 175.915 176.094 -0.043 0.000 1.047 325 V CA -0.469 61.804 62.300 -0.045 0.000 0.952 325 V CB 1.278 33.083 31.823 -0.030 0.000 0.988 325 V HN 0.716 nan 8.190 nan 0.000 0.469 326 K N 4.548 124.909 120.400 -0.066 0.000 2.565 326 K HA 0.542 4.847 4.320 -0.025 0.000 0.249 326 K C -1.703 174.854 176.600 -0.072 0.000 0.958 326 K CA -0.675 55.579 56.287 -0.056 0.000 0.806 326 K CB 1.569 34.044 32.500 -0.042 0.000 1.194 326 K HN 0.638 nan 8.250 nan 0.000 0.434 327 L N 4.609 125.793 121.223 -0.065 0.000 2.255 327 L HA 0.356 4.681 4.340 -0.025 0.000 0.289 327 L C -0.199 176.634 176.870 -0.062 0.000 1.046 327 L CA -1.211 53.584 54.840 -0.076 0.000 0.816 327 L CB 1.536 43.548 42.059 -0.078 0.000 1.197 327 L HN 0.300 nan 8.230 nan 0.000 0.427 328 V N 5.092 124.968 119.914 -0.063 0.000 2.370 328 V HA 0.068 4.173 4.120 -0.025 0.000 0.257 328 V C 0.549 176.614 176.094 -0.047 0.000 1.064 328 V CA -0.296 61.975 62.300 -0.048 0.000 0.975 328 V CB 0.935 32.732 31.823 -0.043 0.000 1.067 328 V HN 0.416 nan 8.190 nan 0.000 0.485 329 V N 5.621 125.512 119.914 -0.039 0.000 2.583 329 V HA 0.247 4.352 4.120 -0.025 0.000 0.287 329 V C 0.937 177.016 176.094 -0.026 0.000 1.051 329 V CA -0.089 62.190 62.300 -0.035 0.000 1.010 329 V CB 1.622 33.427 31.823 -0.029 0.000 0.988 329 V HN 1.012 nan 8.190 nan 0.000 0.478 342 D N 1.258 121.650 120.400 -0.013 0.000 2.890 342 D HA 0.501 5.126 4.640 -0.025 0.000 0.233 342 D C -0.828 175.458 176.300 -0.023 0.000 1.306 342 D CA -0.132 53.855 54.000 -0.021 0.000 0.929 342 D CB 1.889 42.678 40.800 -0.019 0.000 1.512 342 D HN 0.441 nan 8.370 nan 0.000 0.568 343 V N 0.968 120.861 119.914 -0.034 0.000 2.785 343 V HA 0.883 4.988 4.120 -0.025 0.000 0.300 343 V C 0.509 176.578 176.094 -0.040 0.000 1.062 343 V CA -0.191 62.084 62.300 -0.041 0.000 1.029 343 V CB 1.363 33.151 31.823 -0.058 0.000 1.024 343 V HN 0.796 nan 8.190 nan 0.000 0.477 344 A N 3.186 125.983 122.820 -0.038 0.000 2.586 344 A HA 0.923 5.228 4.320 -0.025 0.000 0.290 344 A C -1.019 176.550 177.584 -0.025 0.000 1.086 344 A CA -0.083 51.937 52.037 -0.028 0.000 0.665 344 A CB 1.889 20.880 19.000 -0.014 0.000 1.279 344 A HN 1.682 nan 8.150 nan 0.000 0.423 345 V N -2.771 117.136 119.914 -0.012 0.000 3.232 345 V HA 0.917 5.022 4.120 -0.025 0.000 0.303 345 V C -1.018 175.092 176.094 0.025 0.000 1.311 345 V CA -0.823 61.476 62.300 -0.001 0.000 1.061 345 V CB 1.795 33.612 31.823 -0.010 0.000 1.085 345 V HN 0.945 nan 8.190 nan 0.000 0.447 346 E N 1.214 121.437 120.200 0.039 0.000 2.287 346 E HA 0.582 4.917 4.350 -0.025 0.000 0.274 346 E C -1.696 174.956 176.600 0.088 0.000 0.896 346 E CA -0.569 55.875 56.400 0.073 0.000 0.788 346 E CB 2.320 32.067 29.700 0.079 0.000 1.244 346 E HN 0.693 nan 8.360 nan 0.000 0.408 347 L N 4.182 125.478 121.223 0.121 0.000 2.265 347 L HA 0.483 4.808 4.340 -0.025 0.000 0.289 347 L C -2.354 174.660 176.870 0.240 0.000 1.033 347 L CA -2.171 52.756 54.840 0.145 0.000 0.814 347 L CB 0.458 42.590 42.059 0.122 0.000 1.203 347 L HN 0.183 nan 8.230 nan 0.000 0.423 348 P HA 0.298 nan 4.420 nan 0.000 0.272 348 P C -1.011 176.494 177.300 0.341 0.000 1.223 348 P CA -0.032 63.193 63.100 0.209 0.000 0.784 348 P CB 0.573 32.337 31.700 0.108 0.000 0.923 349 F N -2.150 117.877 119.950 0.129 0.000 2.708 349 F HA 0.486 4.997 4.527 -0.026 0.000 0.309 349 F C -1.437 174.448 175.800 0.141 0.000 1.120 349 F CA -0.790 57.296 58.000 0.143 0.000 0.978 349 F CB 0.505 39.617 39.000 0.186 0.000 1.283 349 F HN 0.012 nan 8.300 nan 0.000 0.439 350 T N 4.139 118.757 114.554 0.106 0.000 2.806 350 T HA 0.444 4.779 4.350 -0.025 0.000 0.290 350 T C -0.633 174.061 174.700 -0.010 0.000 0.966 350 T CA -0.392 61.691 62.100 -0.028 0.000 1.060 350 T CB 1.239 70.107 68.868 -0.001 0.000 0.927 350 T HN 0.745 nan 8.240 nan 0.000 0.485 351 L N 5.152 126.286 121.223 -0.149 0.000 2.283 351 L HA 0.434 4.760 4.340 -0.025 0.000 0.281 351 L C -0.365 176.445 176.870 -0.100 0.000 1.033 351 L CA -0.585 54.130 54.840 -0.208 0.000 0.848 351 L CB 0.423 42.129 42.059 -0.588 0.000 1.226 351 L HN 0.480 nan 8.230 nan 0.000 0.429 352 M N 2.147 121.718 119.600 -0.048 0.000 2.494 352 M HA 0.272 4.737 4.480 -0.025 0.000 0.300 352 M C -0.432 176.150 176.300 0.469 0.000 1.189 352 M CA -0.634 54.788 55.300 0.204 0.000 0.982 352 M CB 1.262 33.986 32.600 0.206 0.000 1.534 352 M HN 0.452 nan 8.290 nan 0.000 0.488 353 H N 1.104 120.483 119.070 0.516 0.000 2.610 353 H HA 0.293 4.834 4.556 -0.025 0.000 0.336 353 H C -2.243 173.334 175.328 0.415 0.000 1.087 353 H CA -0.935 55.421 56.048 0.513 0.000 1.405 353 H CB 0.863 30.791 29.762 0.277 0.000 1.460 353 H HN 0.167 nan 8.280 nan 0.000 0.538 354 P HA -0.015 nan 4.420 nan 0.000 0.267 354 P C -0.830 176.369 177.300 -0.169 0.000 1.205 354 P CA 0.067 63.069 63.100 -0.162 0.000 0.765 354 P CB 0.439 32.056 31.700 -0.138 0.000 0.828 355 K N 4.971 125.116 120.400 -0.426 0.000 2.298 355 K HA 0.135 4.440 4.320 -0.025 0.000 0.280 355 K C -1.323 175.106 176.600 -0.285 0.000 1.032 355 K CA -1.400 54.568 56.287 -0.532 0.000 0.958 355 K CB 0.147 32.137 32.500 -0.851 0.000 0.978 355 K HN 0.287 nan 8.250 nan 0.000 0.472 356 P HA -0.161 nan 4.420 nan 0.000 0.221 356 P C -0.399 176.833 177.300 -0.113 0.000 1.145 356 P CA 1.267 64.291 63.100 -0.127 0.000 0.795 356 P CB -0.142 31.495 31.700 -0.105 0.000 0.775 385 D N 0.152 120.501 120.400 -0.085 0.000 2.341 385 D HA 0.327 4.952 4.640 -0.025 0.000 0.245 385 D C -0.140 176.069 176.300 -0.152 0.000 1.106 385 D CA -0.121 53.816 54.000 -0.107 0.000 0.905 385 D CB 0.669 41.411 40.800 -0.095 0.000 1.202 385 D HN 0.142 nan 8.370 nan 0.000 0.426 386 I N 2.361 122.810 120.570 -0.202 0.000 2.588 386 I HA 0.107 4.262 4.170 -0.025 0.000 0.283 386 I C -0.181 175.686 176.117 -0.416 0.000 1.119 386 I CA 0.131 61.241 61.300 -0.316 0.000 1.419 386 I CB 1.005 38.771 38.000 -0.391 0.000 1.394 386 I HN 0.095 nan 8.210 nan 0.000 0.562 387 V N 7.290 126.945 119.914 -0.431 0.000 2.524 387 V HA 0.366 4.472 4.120 -0.025 0.000 0.297 387 V C -0.338 175.555 176.094 -0.336 0.000 1.035 387 V CA -0.730 61.351 62.300 -0.364 0.000 0.867 387 V CB 1.187 32.891 31.823 -0.198 0.000 1.004 387 V HN 0.329 nan 8.190 nan 0.000 0.426 388 F N 2.413 122.350 119.950 -0.021 0.000 2.378 388 F HA 0.669 5.181 4.527 -0.025 0.000 0.319 388 F C 0.572 176.353 175.800 -0.031 0.000 1.155 388 F CA -0.511 57.491 58.000 0.004 0.000 1.157 388 F CB 0.739 39.790 39.000 0.085 0.000 1.252 388 F HN 0.578 nan 8.300 nan 0.000 0.550 389 E N 0.604 120.935 120.200 0.219 0.000 2.422 389 E HA 0.118 4.453 4.350 -0.025 0.000 0.289 389 E C -1.989 174.756 176.600 0.241 0.000 0.985 389 E CA -0.819 55.668 56.400 0.144 0.000 0.812 389 E CB 1.448 31.158 29.700 0.017 0.000 1.226 389 E HN 0.515 nan 8.360 nan 0.000 0.419 390 D N 2.415 122.933 120.400 0.197 0.000 2.443 390 D HA -0.020 4.605 4.640 -0.025 0.000 0.239 390 D C 0.435 176.908 176.300 0.288 0.000 1.136 390 D CA 0.154 54.276 54.000 0.203 0.000 0.879 390 D CB 0.479 41.355 40.800 0.126 0.000 1.195 390 D HN 0.453 nan 8.370 nan 0.000 0.443 391 F N 2.557 122.585 119.950 0.130 0.000 2.502 391 F HA 0.132 4.644 4.527 -0.025 0.000 0.298 391 F C 1.131 176.903 175.800 -0.048 0.000 1.111 391 F CA 0.443 58.477 58.000 0.056 0.000 1.445 391 F CB -0.167 38.843 39.000 0.016 0.000 1.081 391 F HN 0.385 nan 8.300 nan 0.000 0.558 392 A N 1.626 124.492 122.820 0.076 0.000 2.565 392 A HA 0.058 4.363 4.320 -0.025 0.000 0.237 392 A C 1.123 178.610 177.584 -0.163 0.000 1.053 392 A CA -0.389 51.640 52.037 -0.013 0.000 0.755 392 A CB 0.214 19.238 19.000 0.040 0.000 0.980 392 A HN 0.370 nan 8.150 nan 0.000 0.506 393 R N 1.543 121.879 120.500 -0.273 0.000 2.147 393 R HA 0.132 4.457 4.340 -0.025 0.000 0.209 393 R C 0.529 176.744 176.300 -0.141 0.000 1.129 393 R CA 1.050 56.932 56.100 -0.363 0.000 0.914 393 R CB -0.673 29.151 30.300 -0.795 0.000 0.771 393 R HN 0.897 nan 8.270 nan 0.000 0.474 394 Q N -2.335 117.451 119.800 -0.022 0.000 3.074 394 Q HA 0.308 4.633 4.340 -0.025 0.000 0.329 394 Q C -0.407 175.674 176.000 0.135 0.000 0.839 394 Q CA -0.528 55.306 55.803 0.053 0.000 0.853 394 Q CB 1.519 30.271 28.738 0.022 0.000 1.474 394 Q HN 0.193 nan 8.270 nan 0.000 0.481 395 R N -0.705 119.842 120.500 0.078 0.000 2.390 395 R HA 0.266 4.592 4.340 -0.025 0.000 0.201 395 R C -0.476 175.843 176.300 0.032 0.000 0.908 395 R CA -0.103 56.032 56.100 0.058 0.000 1.480 395 R CB 0.591 30.919 30.300 0.046 0.000 1.681 395 R HN 0.371 nan 8.270 nan 0.000 0.464 396 L N 2.672 123.913 121.223 0.030 0.000 2.578 396 L HA 0.009 4.334 4.340 -0.025 0.000 0.279 396 L C 0.236 177.118 176.870 0.020 0.000 1.227 396 L CA 1.071 55.924 54.840 0.022 0.000 0.900 396 L CB 0.088 42.159 42.059 0.020 0.000 1.144 396 L HN 0.039 nan 8.230 nan 0.000 0.496 397 K N 0.000 120.409 120.400 0.016 0.000 2.780 397 K HA 0.000 4.305 4.320 -0.025 0.000 0.191 397 K CA 0.000 56.295 56.287 0.013 0.000 0.838 397 K CB 0.000 32.508 32.500 0.013 0.000 1.064 397 K HN 0.000 nan 8.250 nan 0.000 0.543