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 1p2n_1_C DATA FIRST_RESID 1 DATA SEQUENCE cGVPAIQPVL SXXXXIVNGE EAVPGSWPWQ VSLQDKTGFH FcGGSLINEN DATA SEQUENCE WVVTAAHcGV TTSDVVVAGE FDQGSSSEKI QKLKIAKVFK NSKYNSLTIN DATA SEQUENCE NDITLLKLST AASFSQTVSA VcLPSASDDF AAGTTcVTTG WGLTRYXXAN DATA SEQUENCE TPDRLQQASL PLLSNTNcKK YWGTKIKDAM IcAGASGVSS cMGDSGGPLV DATA SEQUENCE cKKNGAWTLV GIVSWGSSTc STSTPGVYAR VTALVNWVQQ TLAAN 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 1 c HA 0.000 nan 4.570 nan 0.000 0.325 1 c C 0.000 174.162 174.090 0.120 0.000 1.270 1 c CA 0.000 56.406 56.329 0.129 0.000 1.963 1 c CB 0.000 42.558 42.510 0.079 0.000 2.134 2 G N 0.315 109.187 108.800 0.120 0.000 2.175 2 G HA2 -0.100 3.864 3.960 0.006 0.000 0.265 2 G HA3 -0.100 3.864 3.960 0.006 0.000 0.265 2 G C -0.134 175.023 174.900 0.430 0.000 0.979 2 G CA 0.557 45.764 45.100 0.177 0.000 0.663 2 G HN 2.043 nan 8.290 nan 0.000 0.533 3 V N 1.580 121.711 119.914 0.362 0.000 2.289 3 V HA 0.365 4.489 4.120 0.006 0.000 0.272 3 V C -1.703 174.528 176.094 0.228 0.000 1.026 3 V CA -1.548 60.929 62.300 0.294 0.000 0.807 3 V CB 1.372 33.292 31.823 0.161 0.000 1.044 3 V HN 0.145 nan 8.190 nan 0.000 0.443 4 P HA 0.164 nan 4.420 nan 0.000 0.265 4 P C 0.921 178.195 177.300 -0.042 0.000 1.193 4 P CA 0.103 63.188 63.100 -0.024 0.000 0.765 4 P CB 1.092 32.645 31.700 -0.245 0.000 0.823 5 A N 3.751 126.528 122.820 -0.072 0.000 1.968 5 A HA -0.021 4.303 4.320 0.006 0.000 0.217 5 A C 0.971 178.497 177.584 -0.096 0.000 1.169 5 A CA 0.974 52.976 52.037 -0.059 0.000 0.638 5 A CB -0.584 18.384 19.000 -0.054 0.000 0.812 5 A HN 0.558 nan 8.150 nan 0.000 0.446 6 I N 0.683 121.157 120.570 -0.160 0.000 2.337 6 I HA 0.128 4.302 4.170 0.006 0.000 0.285 6 I C 0.139 176.102 176.117 -0.256 0.000 1.041 6 I CA -0.348 60.834 61.300 -0.198 0.000 1.199 6 I CB 1.229 39.084 38.000 -0.241 0.000 1.370 6 I HN 0.327 nan 8.210 nan 0.000 0.470 7 Q N 8.742 128.431 119.800 -0.185 0.000 2.274 7 Q HA 0.151 4.495 4.340 0.006 0.000 0.280 7 Q C -2.105 173.724 176.000 -0.285 0.000 1.047 7 Q CA -1.274 54.422 55.803 -0.179 0.000 0.907 7 Q CB 0.793 29.483 28.738 -0.079 0.000 1.171 7 Q HN 0.319 nan 8.270 nan 0.000 0.381 8 P HA 0.047 nan 4.420 nan 0.000 0.275 8 P C -1.127 176.053 177.300 -0.200 0.000 1.228 8 P CA -0.187 62.580 63.100 -0.555 0.000 0.786 8 P CB 0.973 31.952 31.700 -1.202 0.000 0.927 9 V N 4.039 123.875 119.914 -0.131 0.000 2.376 9 V HA 0.302 4.426 4.120 0.006 0.000 0.287 9 V C 0.228 176.344 176.094 0.038 0.000 1.015 9 V CA -0.486 61.798 62.300 -0.027 0.000 0.834 9 V CB 1.174 32.971 31.823 -0.043 0.000 1.001 9 V HN 0.373 nan 8.190 nan 0.000 0.428 10 L N 3.829 125.105 121.223 0.088 0.000 2.313 10 L HA 0.541 4.884 4.340 0.006 0.000 0.283 10 L C 0.712 177.628 176.870 0.077 0.000 1.013 10 L CA 0.050 54.957 54.840 0.112 0.000 0.816 10 L CB 1.962 44.127 42.059 0.177 0.000 1.236 10 L HN 0.581 nan 8.230 nan 0.000 0.419 17 V N 6.388 126.312 119.914 0.016 0.000 2.465 17 V HA 0.358 4.482 4.120 0.006 0.000 0.279 17 V C 0.940 177.041 176.094 0.011 0.000 1.045 17 V CA -0.142 62.172 62.300 0.023 0.000 0.938 17 V CB 1.192 33.037 31.823 0.037 0.000 0.986 17 V HN 0.968 nan 8.190 nan 0.000 0.467 18 N N 2.599 121.306 118.700 0.011 0.000 2.782 18 N HA -0.145 4.598 4.740 0.006 0.000 0.251 18 N C 0.501 176.011 175.510 0.001 0.000 1.101 18 N CA 1.078 54.132 53.050 0.007 0.000 0.764 18 N CB -0.634 37.858 38.487 0.008 0.000 1.122 18 N HN 0.931 nan 8.380 nan 0.000 0.561 19 G N 0.027 108.823 108.800 -0.007 0.000 2.574 19 G HA2 0.566 4.530 3.960 0.006 0.000 0.248 19 G HA3 0.566 4.530 3.960 0.006 0.000 0.248 19 G C -0.101 174.795 174.900 -0.007 0.000 1.422 19 G CA 0.094 45.184 45.100 -0.016 0.000 1.051 19 G HN 0.389 nan 8.290 nan 0.000 0.560 20 E N -1.397 118.798 120.200 -0.008 0.000 2.433 20 E HA 0.389 4.743 4.350 0.006 0.000 0.278 20 E C -1.117 175.492 176.600 0.015 0.000 0.976 20 E CA -0.812 55.593 56.400 0.009 0.000 0.793 20 E CB 1.838 31.552 29.700 0.023 0.000 1.311 20 E HN 0.402 nan 8.360 nan 0.000 0.460 21 E N 0.861 121.083 120.200 0.036 0.000 2.376 21 E HA 0.298 4.651 4.350 0.006 0.000 0.266 21 E C -0.641 176.029 176.600 0.116 0.000 1.009 21 E CA -0.168 56.278 56.400 0.076 0.000 0.902 21 E CB 0.739 30.504 29.700 0.110 0.000 0.972 21 E HN 0.547 nan 8.360 nan 0.000 0.439 22 A N 3.654 126.577 122.820 0.172 0.000 2.304 22 A HA 0.273 4.597 4.320 0.006 0.000 0.271 22 A C -0.304 177.315 177.584 0.059 0.000 1.091 22 A CA -0.659 51.480 52.037 0.169 0.000 0.812 22 A CB 0.888 20.056 19.000 0.281 0.000 1.056 22 A HN 0.516 nan 8.150 nan 0.000 0.489 23 V N 2.800 122.645 119.914 -0.115 0.000 2.572 23 V HA 0.132 4.255 4.120 0.006 0.000 0.291 23 V C -2.013 173.819 176.094 -0.437 0.000 1.039 23 V CA -0.759 61.382 62.300 -0.266 0.000 1.055 23 V CB 0.614 32.274 31.823 -0.272 0.000 0.969 23 V HN 0.731 nan 8.190 nan 0.000 0.482 24 P HA 0.114 nan 4.420 nan 0.000 0.261 24 P C 0.919 177.936 177.300 -0.472 0.000 1.183 24 P CA 1.488 63.983 63.100 -1.009 0.000 0.761 24 P CB 0.301 31.328 31.700 -1.121 0.000 0.785 25 G N 3.032 111.656 108.800 -0.294 0.000 2.168 25 G HA2 -0.318 3.646 3.960 0.006 0.000 0.263 25 G HA3 -0.318 3.646 3.960 0.006 0.000 0.263 25 G C 1.046 175.731 174.900 -0.358 0.000 0.977 25 G CA 0.577 45.536 45.100 -0.235 0.000 0.659 25 G HN 0.601 nan 8.290 nan 0.000 0.533 26 S N -1.817 113.584 115.700 -0.499 0.000 2.607 26 S HA 0.199 4.673 4.470 0.006 0.000 0.224 26 S C 0.631 174.496 174.600 -1.225 0.000 0.969 26 S CA 0.541 58.263 58.200 -0.797 0.000 0.927 26 S CB -0.244 62.427 63.200 -0.882 0.000 0.772 26 S HN 0.633 nan 8.310 nan 0.000 0.533 27 W N 2.170 123.095 121.300 -0.625 0.000 1.950 27 W HA 0.412 5.076 4.660 0.006 0.000 0.289 27 W C -2.043 173.866 176.519 -1.017 0.000 0.883 27 W CA -2.156 54.552 57.345 -1.063 0.000 2.031 27 W CB 1.096 30.079 29.460 -0.795 0.000 2.266 27 W HN 0.074 nan 8.180 nan 0.000 0.400 28 P HA -0.229 nan 4.420 nan 0.000 0.220 28 P C 0.873 178.031 177.300 -0.237 0.000 1.144 28 P CA 1.867 64.724 63.100 -0.405 0.000 0.800 28 P CB 0.042 31.555 31.700 -0.313 0.000 0.772 29 W N -0.174 121.124 121.300 -0.003 0.000 2.863 29 W HA 0.321 4.984 4.660 0.006 0.000 0.258 29 W C 0.806 177.355 176.519 0.049 0.000 1.298 29 W CA -0.468 56.878 57.345 0.002 0.000 1.451 29 W CB -1.554 27.919 29.460 0.021 0.000 1.107 29 W HN -0.138 nan 8.180 nan 0.000 0.641 30 Q N 3.001 122.789 119.800 -0.020 0.000 2.271 30 Q HA 0.292 4.636 4.340 0.006 0.000 0.273 30 Q C -0.202 175.913 176.000 0.193 0.000 1.051 30 Q CA -0.058 55.798 55.803 0.088 0.000 0.901 30 Q CB 0.843 29.526 28.738 -0.092 0.000 1.174 30 Q HN 0.254 nan 8.270 nan 0.000 0.385 31 V N 0.932 120.991 119.914 0.241 0.000 3.046 31 V HA 0.823 4.947 4.120 0.006 0.000 0.316 31 V C -0.557 175.708 176.094 0.285 0.000 1.104 31 V CA -0.828 61.612 62.300 0.233 0.000 1.006 31 V CB 2.014 33.924 31.823 0.145 0.000 1.058 31 V HN 0.696 nan 8.190 nan 0.000 0.440 32 S N 2.221 118.006 115.700 0.141 0.000 2.449 32 S HA 0.697 5.171 4.470 0.006 0.000 0.310 32 S C -0.706 173.807 174.600 -0.144 0.000 1.096 32 S CA -0.719 57.505 58.200 0.040 0.000 1.095 32 S CB 0.494 63.559 63.200 -0.227 0.000 1.007 32 S HN 0.751 nan 8.310 nan 0.000 0.474 33 L N 5.067 126.056 121.223 -0.390 0.000 2.264 33 L HA 0.508 4.852 4.340 0.006 0.000 0.289 33 L C 0.142 176.547 176.870 -0.775 0.000 1.044 33 L CA -0.406 54.085 54.840 -0.582 0.000 0.807 33 L CB 1.150 42.709 42.059 -0.833 0.000 1.192 33 L HN 0.664 nan 8.230 nan 0.000 0.425 34 Q N 1.382 121.036 119.800 -0.243 0.000 2.433 34 Q HA 0.333 4.677 4.340 0.006 0.000 0.279 34 Q C -1.134 175.072 176.000 0.344 0.000 1.105 34 Q CA -1.070 54.766 55.803 0.056 0.000 0.815 34 Q CB 2.711 31.451 28.738 0.003 0.000 1.403 34 Q HN 0.622 nan 8.270 nan 0.000 0.435 35 D N -0.108 120.530 120.400 0.397 0.000 2.447 35 D HA 0.002 4.645 4.640 0.006 0.000 0.265 35 D C 0.639 177.026 176.300 0.145 0.000 1.250 35 D CA -0.457 53.690 54.000 0.245 0.000 1.046 35 D CB 0.550 41.444 40.800 0.157 0.000 1.095 35 D HN 0.599 nan 8.370 nan 0.000 0.555 36 K N -1.623 118.828 120.400 0.085 0.000 2.360 36 K HA -0.159 4.164 4.320 0.006 0.000 0.201 36 K C 1.344 177.977 176.600 0.054 0.000 1.046 36 K CA 1.639 57.959 56.287 0.055 0.000 0.940 36 K CB -0.729 31.788 32.500 0.029 0.000 0.748 36 K HN 0.533 nan 8.250 nan 0.000 0.465 37 T N -3.788 110.811 114.554 0.075 0.000 3.060 37 T HA 0.282 4.635 4.350 0.006 0.000 0.249 37 T C 1.345 176.097 174.700 0.088 0.000 1.079 37 T CA 0.247 62.389 62.100 0.071 0.000 1.013 37 T CB 0.409 69.320 68.868 0.071 0.000 0.975 37 T HN 0.469 nan 8.240 nan 0.000 0.518 38 G N 0.940 109.804 108.800 0.106 0.000 2.148 38 G HA2 -0.177 3.787 3.960 0.006 0.000 0.203 38 G HA3 -0.177 3.787 3.960 0.006 0.000 0.203 38 G C -0.231 174.730 174.900 0.102 0.000 0.993 38 G CA -0.241 44.901 45.100 0.071 0.000 0.661 38 G HN 0.606 nan 8.290 nan 0.000 0.518 39 F N 2.880 122.861 119.950 0.051 0.000 2.471 39 F HA 0.585 5.115 4.527 0.005 0.000 0.365 39 F C 0.914 176.795 175.800 0.135 0.000 1.095 39 F CA -0.899 57.150 58.000 0.082 0.000 1.174 39 F CB 0.327 39.378 39.000 0.085 0.000 1.105 39 F HN 0.305 nan 8.300 nan 0.000 0.535 40 H N 7.010 125.738 119.070 -0.571 0.000 2.899 40 H HA 0.154 4.713 4.556 0.005 0.000 0.303 40 H C 0.134 175.258 175.328 -0.340 0.000 1.042 40 H CA 0.338 56.115 56.048 -0.450 0.000 1.479 40 H CB 0.319 29.782 29.762 -0.499 0.000 1.493 40 H HN 0.620 nan 8.280 nan 0.000 0.534 41 F N 1.189 120.820 119.950 -0.532 0.000 2.789 41 F HA 0.435 4.965 4.527 0.005 0.000 0.320 41 F C -0.332 175.293 175.800 -0.291 0.000 1.079 41 F CA -0.702 57.170 58.000 -0.212 0.000 1.205 41 F CB -0.016 39.019 39.000 0.058 0.000 1.046 41 F HN 0.431 nan 8.300 nan 0.000 0.586 42 c N 0.271 118.256 118.600 -1.025 0.000 3.306 42 c HA 0.770 5.344 4.570 0.006 0.000 0.335 42 c C 0.519 174.323 174.090 -0.476 0.000 1.382 42 c CA -0.522 55.483 56.329 -0.540 0.000 1.254 42 c CB 1.217 43.518 42.510 -0.348 0.000 1.555 42 c HN 0.683 nan 8.230 nan 0.000 0.463 43 G N -0.314 108.436 108.800 -0.084 0.000 2.601 43 G HA2 0.852 4.816 3.960 0.006 0.000 0.317 43 G HA3 0.852 4.816 3.960 0.006 0.000 0.317 43 G C -0.413 174.504 174.900 0.028 0.000 1.246 43 G CA 0.132 45.287 45.100 0.091 0.000 1.012 43 G HN 1.452 nan 8.290 nan 0.000 0.494 44 G N -1.784 107.074 108.800 0.097 0.000 2.559 44 G HA2 0.537 4.500 3.960 0.006 0.000 0.291 44 G HA3 0.537 4.500 3.960 0.006 0.000 0.291 44 G C -1.446 173.550 174.900 0.160 0.000 1.424 44 G CA -0.287 44.872 45.100 0.098 0.000 0.786 44 G HN 0.907 nan 8.290 nan 0.000 0.485 45 S N -0.454 115.350 115.700 0.172 0.000 2.571 45 S HA 0.529 5.002 4.470 0.006 0.000 0.284 45 S C -0.359 174.373 174.600 0.220 0.000 1.128 45 S CA -0.503 57.838 58.200 0.235 0.000 0.970 45 S CB 1.476 64.779 63.200 0.172 0.000 1.039 45 S HN 0.568 nan 8.310 nan 0.000 0.485 46 L N 3.768 125.153 121.223 0.270 0.000 2.410 46 L HA 0.347 4.691 4.340 0.006 0.000 0.273 46 L C 1.231 178.249 176.870 0.246 0.000 1.152 46 L CA -0.017 54.984 54.840 0.269 0.000 0.855 46 L CB 0.402 42.629 42.059 0.279 0.000 1.129 46 L HN 0.783 nan 8.230 nan 0.000 0.463 47 I N -0.542 120.175 120.570 0.246 0.000 4.070 47 I HA 0.307 4.481 4.170 0.006 0.000 0.328 47 I C 0.049 176.307 176.117 0.234 0.000 1.298 47 I CA -0.199 61.208 61.300 0.178 0.000 1.173 47 I CB 0.245 38.309 38.000 0.107 0.000 1.051 47 I HN 0.739 nan 8.210 nan 0.000 0.409 48 N N 0.091 118.998 118.700 0.345 0.000 3.356 48 N HA 0.006 4.750 4.740 0.006 0.000 0.246 48 N C 0.359 176.067 175.510 0.329 0.000 1.480 48 N CA -0.206 53.044 53.050 0.334 0.000 0.877 48 N CB 0.279 38.873 38.487 0.177 0.000 1.431 48 N HN 0.034 nan 8.380 nan 0.000 0.500 49 E N -0.351 119.811 120.200 -0.064 0.000 2.333 49 E HA -0.143 4.210 4.350 0.006 0.000 0.198 49 E C -0.378 176.245 176.600 0.038 0.000 1.007 49 E CA 1.246 57.548 56.400 -0.163 0.000 0.845 49 E CB -0.399 29.020 29.700 -0.468 0.000 0.766 49 E HN 0.581 nan 8.360 nan 0.000 0.507 50 N N -0.792 117.970 118.700 0.103 0.000 2.184 50 N HA 0.080 4.824 4.740 0.006 0.000 0.206 50 N C -0.832 174.575 175.510 -0.173 0.000 1.151 50 N CA 0.101 53.140 53.050 -0.019 0.000 0.878 50 N CB 0.410 38.875 38.487 -0.037 0.000 1.014 50 N HN 0.094 nan 8.380 nan 0.000 0.512 51 W N 0.529 121.862 121.300 0.055 0.000 2.915 51 W HA 0.571 5.234 4.660 0.006 0.000 0.337 51 W C -0.603 175.971 176.519 0.091 0.000 1.102 51 W CA -0.565 56.812 57.345 0.053 0.000 1.224 51 W CB 1.298 30.756 29.460 -0.002 0.000 1.416 51 W HN -0.440 nan 8.180 nan 0.000 0.503 52 V N 3.249 123.354 119.914 0.319 0.000 2.656 52 V HA 0.556 4.679 4.120 0.006 0.000 0.307 52 V C -0.923 175.320 176.094 0.248 0.000 1.051 52 V CA -1.181 61.263 62.300 0.241 0.000 0.893 52 V CB 1.858 33.781 31.823 0.167 0.000 0.999 52 V HN 0.339 nan 8.190 nan 0.000 0.426 53 V N 4.540 124.576 119.914 0.203 0.000 2.483 53 V HA 0.844 4.967 4.120 0.006 0.000 0.295 53 V C -0.004 176.175 176.094 0.142 0.000 1.035 53 V CA 0.513 62.928 62.300 0.192 0.000 0.896 53 V CB 1.944 33.866 31.823 0.164 0.000 0.986 53 V HN 1.102 nan 8.190 nan 0.000 0.447 54 T N 4.351 118.981 114.554 0.127 0.000 2.618 54 T HA 0.769 5.122 4.350 0.006 0.000 0.293 54 T C -0.635 174.076 174.700 0.018 0.000 1.093 54 T CA 0.119 62.254 62.100 0.060 0.000 1.061 54 T CB 1.573 70.460 68.868 0.031 0.000 1.498 54 T HN 1.215 nan 8.240 nan 0.000 0.494 55 A N 0.342 123.117 122.820 -0.075 0.000 2.304 55 A HA 0.742 5.066 4.320 0.006 0.000 0.301 55 A C 1.415 178.841 177.584 -0.264 0.000 1.132 55 A CA 0.225 52.163 52.037 -0.165 0.000 0.819 55 A CB 0.374 19.201 19.000 -0.289 0.000 1.094 55 A HN 1.167 nan 8.150 nan 0.000 0.492 56 A N 0.885 123.504 122.820 -0.335 0.000 1.969 56 A HA -0.115 4.208 4.320 0.006 0.000 0.218 56 A C 1.738 179.008 177.584 -0.524 0.000 1.169 56 A CA 1.649 53.383 52.037 -0.504 0.000 0.635 56 A CB -0.950 17.498 19.000 -0.920 0.000 0.810 56 A HN 1.067 nan 8.150 nan 0.000 0.445 57 H N -1.867 116.954 119.070 -0.416 0.000 2.545 57 H HA -0.044 4.516 4.556 0.006 0.000 0.282 57 H C 1.666 176.981 175.328 -0.022 0.000 1.020 57 H CA 1.220 57.173 56.048 -0.158 0.000 1.243 57 H CB -0.805 28.963 29.762 0.009 0.000 1.377 57 H HN 0.404 nan 8.280 nan 0.000 0.581 58 c N 1.107 119.482 118.600 -0.375 0.000 2.437 58 c HA 0.111 4.684 4.570 0.006 0.000 0.283 58 c C 2.023 176.144 174.090 0.051 0.000 1.424 58 c CA 0.925 57.210 56.329 -0.072 0.000 1.782 58 c CB -1.239 41.258 42.510 -0.023 0.000 1.833 58 c HN 0.917 nan 8.230 nan 0.000 0.532 59 G N 1.021 109.809 108.800 -0.020 0.000 2.305 59 G HA2 -0.222 3.742 3.960 0.006 0.000 0.287 59 G HA3 -0.222 3.742 3.960 0.006 0.000 0.287 59 G C 0.072 174.960 174.900 -0.019 0.000 1.036 59 G CA 0.352 45.436 45.100 -0.026 0.000 0.887 59 G HN 0.438 nan 8.290 nan 0.000 0.505 60 V N 0.681 120.642 119.914 0.078 0.000 2.763 60 V HA 0.534 4.658 4.120 0.006 0.000 0.306 60 V C 1.194 177.320 176.094 0.054 0.000 1.059 60 V CA 0.849 63.233 62.300 0.141 0.000 1.138 60 V CB 1.081 33.023 31.823 0.197 0.000 0.940 60 V HN 1.005 nan 8.190 nan 0.000 0.489 61 T N -0.623 113.957 114.554 0.043 0.000 2.864 61 T HA 0.328 4.681 4.350 0.006 0.000 0.289 61 T C 0.912 175.626 174.700 0.023 0.000 1.082 61 T CA 0.086 62.191 62.100 0.009 0.000 1.009 61 T CB 1.598 70.452 68.868 -0.023 0.000 1.234 61 T HN 0.760 nan 8.240 nan 0.000 0.526 62 T N -1.256 113.298 114.554 -0.000 0.000 3.163 62 T HA 0.029 4.383 4.350 0.006 0.000 0.260 62 T C 1.637 176.342 174.700 0.007 0.000 1.156 62 T CA 0.828 62.927 62.100 -0.001 0.000 1.072 62 T CB -0.636 68.221 68.868 -0.020 0.000 0.937 62 T HN 0.463 nan 8.240 nan 0.000 0.528 63 S N 1.044 116.749 115.700 0.009 0.000 2.501 63 S HA 0.101 4.574 4.470 0.006 0.000 0.220 63 S C 0.578 175.202 174.600 0.040 0.000 0.997 63 S CA -0.118 58.089 58.200 0.012 0.000 0.919 63 S CB -0.036 63.161 63.200 -0.005 0.000 0.778 63 S HN 0.594 nan 8.310 nan 0.000 0.523 64 D N 1.477 121.920 120.400 0.071 0.000 2.383 64 D HA 0.423 5.067 4.640 0.006 0.000 0.248 64 D C 0.128 176.490 176.300 0.105 0.000 1.170 64 D CA -0.119 53.967 54.000 0.144 0.000 0.977 64 D CB 1.422 42.395 40.800 0.287 0.000 1.120 64 D HN 0.152 nan 8.370 nan 0.000 0.481 65 V N -2.501 117.474 119.914 0.102 0.000 2.962 65 V HA 0.604 4.728 4.120 0.006 0.000 0.313 65 V C -0.470 175.635 176.094 0.018 0.000 1.099 65 V CA -0.923 61.406 62.300 0.048 0.000 0.971 65 V CB 1.829 33.673 31.823 0.035 0.000 1.028 65 V HN 0.200 nan 8.190 nan 0.000 0.430 66 V N 3.385 123.307 119.914 0.013 0.000 2.370 66 V HA 0.468 4.592 4.120 0.006 0.000 0.279 66 V C -0.067 176.032 176.094 0.009 0.000 1.029 66 V CA -0.342 61.962 62.300 0.006 0.000 0.870 66 V CB 1.532 33.375 31.823 0.032 0.000 0.984 66 V HN 0.766 nan 8.190 nan 0.000 0.451 67 V N 5.222 125.131 119.914 -0.008 0.000 2.328 67 V HA 0.744 4.867 4.120 0.006 0.000 0.278 67 V C 0.441 176.554 176.094 0.032 0.000 1.021 67 V CA -0.346 61.948 62.300 -0.010 0.000 0.838 67 V CB 1.301 33.082 31.823 -0.071 0.000 0.999 67 V HN 0.963 nan 8.190 nan 0.000 0.447 68 A N 3.414 126.267 122.820 0.054 0.000 2.311 68 A HA 0.811 5.134 4.320 0.006 0.000 0.334 68 A C 1.100 178.728 177.584 0.075 0.000 1.139 68 A CA 0.026 52.113 52.037 0.083 0.000 0.830 68 A CB 1.159 20.217 19.000 0.095 0.000 1.234 68 A HN 1.977 nan 8.150 nan 0.000 0.483 69 G N -0.172 108.677 108.800 0.081 0.000 2.153 69 G HA2 -0.212 3.751 3.960 0.006 0.000 0.252 69 G HA3 -0.212 3.751 3.960 0.006 0.000 0.252 69 G C 0.084 175.051 174.900 0.111 0.000 0.994 69 G CA 0.724 45.865 45.100 0.068 0.000 0.698 69 G HN 1.062 nan 8.290 nan 0.000 0.521 70 E N -1.284 119.019 120.200 0.172 0.000 2.277 70 E HA 0.708 5.062 4.350 0.006 0.000 0.274 70 E C 0.616 177.494 176.600 0.463 0.000 1.022 70 E CA -0.900 55.629 56.400 0.214 0.000 0.853 70 E CB 0.544 30.264 29.700 0.034 0.000 1.086 70 E HN 0.260 nan 8.360 nan 0.000 0.397 71 F N 2.150 122.247 119.950 0.246 0.000 2.212 71 F HA 0.272 4.803 4.527 0.007 0.000 0.262 71 F C -0.234 175.766 175.800 0.333 0.000 0.906 71 F CA -0.141 58.029 58.000 0.284 0.000 1.127 71 F CB 0.587 39.649 39.000 0.104 0.000 1.178 71 F HN 0.409 nan 8.300 nan 0.000 0.779 72 D N 1.520 121.872 120.400 -0.079 0.000 2.454 72 D HA 0.189 4.833 4.640 0.006 0.000 0.225 72 D C 0.409 176.622 176.300 -0.145 0.000 1.081 72 D CA 0.028 53.895 54.000 -0.220 0.000 0.864 72 D CB 1.390 42.136 40.800 -0.089 0.000 1.040 72 D HN 0.424 nan 8.370 nan 0.000 0.517 73 Q N 1.766 121.415 119.800 -0.251 0.000 2.437 73 Q HA 0.001 4.345 4.340 0.006 0.000 0.210 73 Q C 1.530 177.413 176.000 -0.194 0.000 0.972 73 Q CA 0.668 56.278 55.803 -0.322 0.000 0.903 73 Q CB 0.422 28.825 28.738 -0.558 0.000 0.967 73 Q HN 0.515 nan 8.270 nan 0.000 0.486 74 G N 0.204 108.920 108.800 -0.140 0.000 2.939 74 G HA2 -0.038 3.925 3.960 0.006 0.000 0.210 74 G HA3 -0.038 3.925 3.960 0.006 0.000 0.210 74 G C 0.324 175.191 174.900 -0.055 0.000 1.160 74 G CA -0.173 44.874 45.100 -0.088 0.000 0.770 74 G HN 0.131 nan 8.290 nan 0.000 0.543 75 S N 0.522 116.193 115.700 -0.048 0.000 2.430 75 S HA 0.371 4.845 4.470 0.006 0.000 0.289 75 S C 1.666 176.255 174.600 -0.019 0.000 1.143 75 S CA 0.168 58.359 58.200 -0.015 0.000 1.067 75 S CB 1.145 64.355 63.200 0.017 0.000 0.964 75 S HN 0.301 nan 8.310 nan 0.000 0.485 76 S N 3.493 119.185 115.700 -0.013 0.000 2.470 76 S HA -0.064 4.410 4.470 0.006 0.000 0.225 76 S C 1.792 176.391 174.600 -0.003 0.000 1.006 76 S CA 0.767 58.959 58.200 -0.012 0.000 0.934 76 S CB -0.440 62.755 63.200 -0.010 0.000 0.778 76 S HN 0.824 nan 8.310 nan 0.000 0.517 77 S N 0.850 116.553 115.700 0.005 0.000 2.470 77 S HA 0.100 4.574 4.470 0.006 0.000 0.225 77 S C 0.613 175.222 174.600 0.016 0.000 1.006 77 S CA -0.206 58.000 58.200 0.010 0.000 0.934 77 S CB -0.651 62.556 63.200 0.012 0.000 0.778 77 S HN 0.648 nan 8.310 nan 0.000 0.517 78 E N 2.230 122.444 120.200 0.022 0.000 2.529 78 E HA -0.019 4.335 4.350 0.006 0.000 0.259 78 E C -0.604 176.012 176.600 0.026 0.000 0.966 78 E CA 0.066 56.488 56.400 0.036 0.000 0.937 78 E CB 0.406 30.139 29.700 0.056 0.000 0.923 78 E HN 0.107 nan 8.360 nan 0.000 0.468 79 K N 5.416 125.833 120.400 0.028 0.000 2.349 79 K HA 0.278 4.601 4.320 0.006 0.000 0.288 79 K C 0.188 176.805 176.600 0.029 0.000 1.058 79 K CA -0.035 56.266 56.287 0.023 0.000 0.953 79 K CB 0.140 32.652 32.500 0.020 0.000 0.997 79 K HN 0.469 nan 8.250 nan 0.000 0.477 80 I N -1.446 119.138 120.570 0.023 0.000 3.279 80 I HA 0.365 4.539 4.170 0.006 0.000 0.315 80 I C -0.958 175.174 176.117 0.026 0.000 1.187 80 I CA -1.225 60.090 61.300 0.026 0.000 0.953 80 I CB 2.152 40.159 38.000 0.012 0.000 1.279 80 I HN 0.259 nan 8.210 nan 0.000 0.465 81 Q N 2.054 121.874 119.800 0.033 0.000 2.357 81 Q HA 0.437 4.780 4.340 0.006 0.000 0.266 81 Q C -1.417 174.600 176.000 0.029 0.000 1.021 81 Q CA -0.720 55.105 55.803 0.037 0.000 0.784 81 Q CB 2.382 31.155 28.738 0.058 0.000 1.243 81 Q HN 0.428 nan 8.270 nan 0.000 0.465 82 K N 3.598 124.009 120.400 0.019 0.000 2.264 82 K HA 0.391 4.715 4.320 0.006 0.000 0.277 82 K C -0.783 175.828 176.600 0.018 0.000 1.067 82 K CA -0.179 56.115 56.287 0.013 0.000 0.900 82 K CB 0.735 33.239 32.500 0.006 0.000 1.124 82 K HN 0.378 nan 8.250 nan 0.000 0.469 83 L N 3.537 124.773 121.223 0.021 0.000 2.313 83 L HA 0.388 4.731 4.340 0.006 0.000 0.283 83 L C 0.105 176.982 176.870 0.012 0.000 1.013 83 L CA -0.912 53.940 54.840 0.019 0.000 0.816 83 L CB 1.298 43.375 42.059 0.030 0.000 1.236 83 L HN 0.366 nan 8.230 nan 0.000 0.419 84 K N 3.089 123.492 120.400 0.004 0.000 2.258 84 K HA 0.466 4.790 4.320 0.006 0.000 0.264 84 K C -0.596 175.997 176.600 -0.012 0.000 1.007 84 K CA -0.288 55.999 56.287 0.000 0.000 0.941 84 K CB 1.200 33.698 32.500 -0.003 0.000 0.966 84 K HN 0.443 nan 8.250 nan 0.000 0.480 85 I N 2.170 122.736 120.570 -0.008 0.000 2.321 85 I HA 0.084 4.258 4.170 0.006 0.000 0.291 85 I C 0.899 176.995 176.117 -0.034 0.000 0.998 85 I CA -0.140 61.147 61.300 -0.021 0.000 1.227 85 I CB 1.723 39.727 38.000 0.006 0.000 1.368 85 I HN 0.782 nan 8.210 nan 0.000 0.466 86 A N 6.187 128.970 122.820 -0.062 0.000 1.874 86 A HA 0.076 4.399 4.320 0.006 0.000 0.214 86 A C 0.942 178.494 177.584 -0.053 0.000 1.189 86 A CA 1.122 53.125 52.037 -0.056 0.000 0.615 86 A CB 0.198 19.154 19.000 -0.073 0.000 0.830 86 A HN 0.697 nan 8.150 nan 0.000 0.443 87 K N -1.165 119.203 120.400 -0.054 0.000 2.546 87 K HA 0.538 4.862 4.320 0.006 0.000 0.264 87 K C -2.065 174.498 176.600 -0.061 0.000 0.937 87 K CA -0.559 55.669 56.287 -0.097 0.000 0.833 87 K CB 2.284 34.706 32.500 -0.130 0.000 1.378 87 K HN -0.029 nan 8.250 nan 0.000 0.432 88 V N 3.951 123.768 119.914 -0.161 0.000 2.398 88 V HA 0.487 4.610 4.120 0.006 0.000 0.286 88 V C -1.045 174.966 176.094 -0.139 0.000 1.026 88 V CA -0.569 61.722 62.300 -0.015 0.000 0.868 88 V CB 0.986 32.814 31.823 0.008 0.000 0.982 88 V HN 0.569 nan 8.190 nan 0.000 0.443 89 F N 3.823 123.901 119.950 0.213 0.000 2.359 89 F HA 0.440 4.971 4.527 0.006 0.000 0.370 89 F C 0.409 176.448 175.800 0.398 0.000 1.077 89 F CA -0.643 57.536 58.000 0.298 0.000 1.136 89 F CB 1.065 40.261 39.000 0.327 0.000 1.387 89 F HN 0.337 nan 8.300 nan 0.000 0.468 90 K N 2.503 123.123 120.400 0.366 0.000 2.276 90 K HA 0.123 4.446 4.320 0.006 0.000 0.283 90 K C 0.317 177.064 176.600 0.244 0.000 1.044 90 K CA -0.554 55.876 56.287 0.238 0.000 0.944 90 K CB 0.557 33.118 32.500 0.101 0.000 1.012 90 K HN 0.407 nan 8.250 nan 0.000 0.472 91 N N 2.451 121.106 118.700 -0.074 0.000 2.411 91 N HA -0.094 4.650 4.740 0.006 0.000 0.265 91 N C 0.703 176.158 175.510 -0.092 0.000 1.266 91 N CA 0.427 53.206 53.050 -0.451 0.000 0.889 91 N CB 0.868 38.699 38.487 -1.092 0.000 1.069 91 N HN 0.726 nan 8.380 nan 0.000 0.476 92 S N 3.508 119.230 115.700 0.037 0.000 2.469 92 S HA -0.089 4.384 4.470 0.006 0.000 0.238 92 S C 1.109 175.723 174.600 0.023 0.000 0.998 92 S CA 0.903 59.146 58.200 0.071 0.000 0.957 92 S CB -0.004 63.264 63.200 0.114 0.000 0.764 92 S HN 0.630 nan 8.310 nan 0.000 0.514 93 K N 0.071 120.443 120.400 -0.047 0.000 2.444 93 K HA 0.137 4.460 4.320 0.006 0.000 0.193 93 K C -0.050 176.535 176.600 -0.024 0.000 1.024 93 K CA -0.319 55.940 56.287 -0.046 0.000 1.077 93 K CB -0.059 32.394 32.500 -0.078 0.000 0.833 93 K HN 0.520 nan 8.250 nan 0.000 0.517 94 Y N 2.815 123.042 120.300 -0.121 0.000 2.721 94 Y HA -0.069 4.484 4.550 0.005 0.000 0.329 94 Y C -0.013 175.854 175.900 -0.054 0.000 1.211 94 Y CA -0.485 57.563 58.100 -0.087 0.000 1.512 94 Y CB 0.116 38.533 38.460 -0.071 0.000 1.249 94 Y HN -0.044 nan 8.280 nan 0.000 0.549 95 N N 3.949 122.256 118.700 -0.655 0.000 2.485 95 N HA 0.035 4.779 4.740 0.006 0.000 0.243 95 N C 0.383 175.328 175.510 -0.942 0.000 0.987 95 N CA 0.373 53.071 53.050 -0.585 0.000 0.940 95 N CB 1.065 39.366 38.487 -0.310 0.000 1.122 95 N HN 0.784 nan 8.380 nan 0.000 0.509 96 S N 3.179 118.408 115.700 -0.784 0.000 2.547 96 S HA -0.023 4.451 4.470 0.006 0.000 0.235 96 S C 1.594 176.010 174.600 -0.307 0.000 0.980 96 S CA 0.417 58.295 58.200 -0.537 0.000 0.941 96 S CB -0.073 63.013 63.200 -0.190 0.000 0.763 96 S HN 0.591 nan 8.310 nan 0.000 0.532 97 L N 1.078 122.125 121.223 -0.293 0.000 2.269 97 L HA 0.110 4.453 4.340 0.006 0.000 0.200 97 L C 2.860 179.579 176.870 -0.252 0.000 1.069 97 L CA 1.234 55.943 54.840 -0.219 0.000 0.804 97 L CB -0.844 41.117 42.059 -0.164 0.000 0.987 97 L HN 0.499 nan 8.230 nan 0.000 0.468 98 T N -3.224 111.174 114.554 -0.260 0.000 3.065 98 T HA 0.193 4.546 4.350 0.006 0.000 0.252 98 T C 1.182 175.706 174.700 -0.292 0.000 1.099 98 T CA 0.018 61.967 62.100 -0.252 0.000 1.063 98 T CB 0.135 68.906 68.868 -0.162 0.000 0.948 98 T HN 0.254 nan 8.240 nan 0.000 0.506 99 I N -0.341 120.050 120.570 -0.298 0.000 5.620 99 I HA -0.232 3.941 4.170 0.006 0.000 0.127 99 I C 0.113 176.262 176.117 0.053 0.000 1.815 99 I CA 0.075 61.291 61.300 -0.141 0.000 2.038 99 I CB -2.558 35.280 38.000 -0.270 0.000 3.367 99 I HN 0.308 nan 8.210 nan 0.000 0.169 100 N N 2.641 121.317 118.700 -0.039 0.000 2.525 100 N HA 0.233 4.976 4.740 0.006 0.000 0.271 100 N C 0.590 176.155 175.510 0.092 0.000 1.194 100 N CA 0.510 53.588 53.050 0.047 0.000 0.964 100 N CB 0.378 38.864 38.487 -0.001 0.000 1.126 100 N HN 0.244 nan 8.380 nan 0.000 0.452 101 N N 0.706 119.467 118.700 0.102 0.000 2.758 101 N HA -0.214 4.529 4.740 0.006 0.000 0.248 101 N C -1.295 174.308 175.510 0.154 0.000 1.076 101 N CA 0.436 53.523 53.050 0.061 0.000 0.696 101 N CB -1.221 37.257 38.487 -0.015 0.000 0.979 101 N HN 0.636 nan 8.380 nan 0.000 0.550 102 D N 1.252 121.778 120.400 0.210 0.000 2.600 102 D HA 0.376 5.019 4.640 0.006 0.000 0.226 102 D C 0.041 176.331 176.300 -0.016 0.000 1.119 102 D CA 0.126 54.219 54.000 0.154 0.000 1.051 102 D CB -0.276 40.694 40.800 0.283 0.000 1.106 102 D HN 0.514 nan 8.370 nan 0.000 0.491 103 I N 0.647 121.142 120.570 -0.125 0.000 2.752 103 I HA 0.371 4.545 4.170 0.006 0.000 0.295 103 I C -1.241 174.818 176.117 -0.097 0.000 1.219 103 I CA -0.303 60.943 61.300 -0.090 0.000 1.030 103 I CB 2.204 40.172 38.000 -0.053 0.000 1.259 103 I HN -0.086 nan 8.210 nan 0.000 0.423 104 T N 7.001 121.613 114.554 0.097 0.000 2.933 104 T HA 0.552 4.906 4.350 0.006 0.000 0.305 104 T C -1.002 173.934 174.700 0.392 0.000 1.092 104 T CA -0.451 61.802 62.100 0.255 0.000 1.008 104 T CB 1.774 70.711 68.868 0.116 0.000 1.102 104 T HN 0.340 nan 8.240 nan 0.000 0.469 105 L N 3.152 124.708 121.223 0.555 0.000 2.334 105 L HA 0.648 4.991 4.340 0.006 0.000 0.276 105 L C -0.884 176.290 176.870 0.506 0.000 1.014 105 L CA -0.947 54.194 54.840 0.503 0.000 0.815 105 L CB 1.357 43.672 42.059 0.427 0.000 1.268 105 L HN 0.383 nan 8.230 nan 0.000 0.428 106 L N 3.703 125.154 121.223 0.381 0.000 2.325 106 L HA 0.481 4.824 4.340 0.006 0.000 0.281 106 L C -0.282 176.552 176.870 -0.060 0.000 1.004 106 L CA -0.531 54.427 54.840 0.197 0.000 0.823 106 L CB 1.663 43.798 42.059 0.127 0.000 1.236 106 L HN 0.498 nan 8.230 nan 0.000 0.415 107 K N 4.479 124.690 120.400 -0.315 0.000 2.234 107 K HA 0.520 4.843 4.320 0.006 0.000 0.277 107 K C -0.713 175.636 176.600 -0.417 0.000 1.038 107 K CA -0.568 55.175 56.287 -0.907 0.000 0.888 107 K CB 0.886 32.774 32.500 -1.020 0.000 1.091 107 K HN 0.542 nan 8.250 nan 0.000 0.467 108 L N 3.225 124.222 121.223 -0.378 0.000 2.397 108 L HA 0.098 4.441 4.340 0.006 0.000 0.271 108 L C 1.376 178.156 176.870 -0.150 0.000 1.148 108 L CA -0.357 54.376 54.840 -0.179 0.000 0.825 108 L CB 1.481 43.476 42.059 -0.106 0.000 1.117 108 L HN 0.792 nan 8.230 nan 0.000 0.456 109 S N 0.104 115.752 115.700 -0.086 0.000 2.387 109 S HA -0.048 4.426 4.470 0.006 0.000 0.226 109 S C 0.623 175.194 174.600 -0.049 0.000 1.026 109 S CA 0.906 59.069 58.200 -0.061 0.000 0.972 109 S CB 0.071 63.249 63.200 -0.037 0.000 0.814 109 S HN 0.757 nan 8.310 nan 0.000 0.477 110 T N 1.766 116.297 114.554 -0.039 0.000 2.848 110 T HA 0.664 5.018 4.350 0.006 0.000 0.285 110 T C -0.310 174.377 174.700 -0.022 0.000 0.995 110 T CA -0.643 61.442 62.100 -0.024 0.000 0.970 110 T CB 1.751 70.613 68.868 -0.009 0.000 0.976 110 T HN 0.267 nan 8.240 nan 0.000 0.441 111 A N 2.318 125.124 122.820 -0.023 0.000 2.483 111 A HA 0.659 4.982 4.320 0.006 0.000 0.238 111 A C 0.765 178.361 177.584 0.020 0.000 1.070 111 A CA -0.422 51.604 52.037 -0.019 0.000 0.770 111 A CB -0.160 18.813 19.000 -0.045 0.000 1.008 111 A HN 1.091 nan 8.150 nan 0.000 0.497 112 A N 1.483 124.343 122.820 0.067 0.000 2.371 112 A HA 0.510 4.833 4.320 0.006 0.000 0.257 112 A C 0.692 178.374 177.584 0.162 0.000 1.089 112 A CA 0.350 52.482 52.037 0.157 0.000 0.794 112 A CB 0.184 19.365 19.000 0.302 0.000 1.029 112 A HN 1.392 nan 8.150 nan 0.000 0.488 113 S N 2.005 117.817 115.700 0.186 0.000 2.415 113 S HA 0.512 4.985 4.470 0.006 0.000 0.313 113 S C -0.524 174.271 174.600 0.325 0.000 1.067 113 S CA -0.592 57.713 58.200 0.174 0.000 1.099 113 S CB -0.775 62.488 63.200 0.105 0.000 0.991 113 S HN 0.361 nan 8.310 nan 0.000 0.491 114 F N 3.880 123.858 119.950 0.048 0.000 2.563 114 F HA 0.366 4.897 4.527 0.006 0.000 0.363 114 F C 1.397 177.221 175.800 0.040 0.000 1.123 114 F CA -0.282 57.751 58.000 0.054 0.000 1.307 114 F CB 0.475 39.514 39.000 0.064 0.000 1.115 114 F HN 0.726 nan 8.300 nan 0.000 0.592 115 S N 1.682 117.469 115.700 0.145 0.000 2.755 115 S HA 0.200 4.674 4.470 0.006 0.000 0.286 115 S C 0.564 175.167 174.600 0.005 0.000 1.207 115 S CA -0.661 57.583 58.200 0.073 0.000 0.892 115 S CB 1.355 64.590 63.200 0.058 0.000 1.240 115 S HN 0.555 nan 8.310 nan 0.000 0.525 116 Q N 0.479 120.274 119.800 -0.008 0.000 2.112 116 Q HA -0.157 4.187 4.340 0.006 0.000 0.206 116 Q C 1.526 177.476 176.000 -0.084 0.000 0.987 116 Q CA 2.501 58.278 55.803 -0.043 0.000 0.858 116 Q CB -0.551 28.161 28.738 -0.043 0.000 0.905 116 Q HN 0.926 nan 8.270 nan 0.000 0.420 117 T N -3.552 110.958 114.554 -0.074 0.000 3.054 117 T HA 0.329 4.682 4.350 0.006 0.000 0.255 117 T C -0.028 174.611 174.700 -0.102 0.000 1.035 117 T CA -0.353 61.688 62.100 -0.099 0.000 0.941 117 T CB 0.834 69.664 68.868 -0.063 0.000 1.026 117 T HN -0.025 nan 8.240 nan 0.000 0.533 118 V N 2.533 122.382 119.914 -0.108 0.000 2.488 118 V HA 0.728 4.851 4.120 0.006 0.000 0.293 118 V C -0.521 175.307 176.094 -0.443 0.000 1.027 118 V CA -0.500 61.706 62.300 -0.156 0.000 0.862 118 V CB 1.254 33.066 31.823 -0.018 0.000 1.008 118 V HN 0.697 nan 8.190 nan 0.000 0.428 119 S N 3.273 118.618 115.700 -0.592 0.000 2.672 119 S HA 0.937 5.410 4.470 0.006 0.000 0.271 119 S C -0.515 173.786 174.600 -0.497 0.000 1.171 119 S CA -0.350 57.206 58.200 -1.074 0.000 0.817 119 S CB 1.851 64.796 63.200 -0.425 0.000 1.150 119 S HN 1.299 nan 8.310 nan 0.000 0.478 120 A N 0.216 122.881 122.820 -0.257 0.000 2.279 120 A HA 0.824 5.148 4.320 0.006 0.000 0.303 120 A C -0.052 177.640 177.584 0.181 0.000 1.108 120 A CA -0.735 51.399 52.037 0.162 0.000 0.830 120 A CB 0.989 20.184 19.000 0.325 0.000 1.106 120 A HN 1.414 nan 8.150 nan 0.000 0.493 121 V N 0.823 120.702 119.914 -0.059 0.000 2.837 121 V HA 0.428 4.552 4.120 0.006 0.000 0.310 121 V C 0.131 176.066 176.094 -0.264 0.000 1.059 121 V CA -0.648 61.284 62.300 -0.614 0.000 1.004 121 V CB 1.186 32.287 31.823 -1.204 0.000 1.045 121 V HN 1.038 nan 8.190 nan 0.000 0.465 122 c N 5.344 123.797 118.600 -0.246 0.000 2.459 122 c HA 0.525 5.099 4.570 0.006 0.000 0.374 122 c C 0.155 174.190 174.090 -0.092 0.000 1.241 122 c CA -0.763 55.507 56.329 -0.097 0.000 2.352 122 c CB 0.091 42.575 42.510 -0.044 0.000 2.490 122 c HN 0.741 nan 8.230 nan 0.000 0.583 123 L N 4.224 125.424 121.223 -0.039 0.000 2.325 123 L HA 0.494 4.837 4.340 0.006 0.000 0.278 123 L C -1.723 175.161 176.870 0.023 0.000 1.023 123 L CA -1.212 53.617 54.840 -0.019 0.000 0.811 123 L CB 1.524 43.573 42.059 -0.017 0.000 1.249 123 L HN 0.520 nan 8.230 nan 0.000 0.431 124 P HA 0.255 nan 4.420 nan 0.000 0.282 124 P C -0.901 176.450 177.300 0.085 0.000 1.287 124 P CA -0.514 62.667 63.100 0.135 0.000 0.792 124 P CB 1.209 33.078 31.700 0.282 0.000 1.163 125 S N -0.712 115.033 115.700 0.074 0.000 2.617 125 S HA 0.391 4.864 4.470 0.006 0.000 0.283 125 S C 1.472 176.104 174.600 0.053 0.000 1.189 125 S CA -0.115 58.108 58.200 0.038 0.000 1.036 125 S CB 1.145 64.349 63.200 0.008 0.000 1.014 125 S HN 0.571 nan 8.310 nan 0.000 0.522 126 A N 1.897 124.742 122.820 0.043 0.000 2.024 126 A HA -0.105 4.219 4.320 0.006 0.000 0.220 126 A C 2.056 179.663 177.584 0.038 0.000 1.164 126 A CA 1.916 53.984 52.037 0.051 0.000 0.643 126 A CB -0.767 18.259 19.000 0.043 0.000 0.806 126 A HN 0.842 nan 8.150 nan 0.000 0.451 127 S N -0.536 115.172 115.700 0.013 0.000 2.548 127 S HA 0.060 4.533 4.470 0.006 0.000 0.215 127 S C 0.027 174.599 174.600 -0.047 0.000 0.976 127 S CA -0.244 57.950 58.200 -0.010 0.000 0.908 127 S CB -0.259 62.930 63.200 -0.018 0.000 0.781 127 S HN 0.410 nan 8.310 nan 0.000 0.519 128 D N 2.850 123.216 120.400 -0.058 0.000 2.449 128 D HA 0.257 4.901 4.640 0.006 0.000 0.236 128 D C -0.614 175.523 176.300 -0.271 0.000 1.149 128 D CA 0.703 54.581 54.000 -0.203 0.000 0.878 128 D CB 0.646 41.317 40.800 -0.215 0.000 1.198 128 D HN 0.388 nan 8.370 nan 0.000 0.446 129 D N 0.649 120.784 120.400 -0.442 0.000 2.408 129 D HA 0.282 4.926 4.640 0.006 0.000 0.243 129 D C -1.373 174.607 176.300 -0.534 0.000 1.075 129 D CA -0.560 53.247 54.000 -0.322 0.000 0.832 129 D CB 0.368 41.064 40.800 -0.173 0.000 1.162 129 D HN 0.045 nan 8.370 nan 0.000 0.515 130 F N 2.803 122.744 119.950 -0.015 0.000 2.325 130 F HA 0.532 5.063 4.527 0.006 0.000 0.369 130 F C 0.801 176.591 175.800 -0.016 0.000 1.095 130 F CA -1.001 56.987 58.000 -0.020 0.000 1.082 130 F CB 1.241 40.226 39.000 -0.024 0.000 1.289 130 F HN 0.386 nan 8.300 nan 0.000 0.462 131 A N 2.297 125.166 122.820 0.081 0.000 2.531 131 A HA 0.517 4.840 4.320 0.006 0.000 0.236 131 A C 0.577 178.198 177.584 0.062 0.000 1.062 131 A CA -0.062 52.006 52.037 0.051 0.000 0.760 131 A CB -0.073 18.937 19.000 0.018 0.000 0.995 131 A HN 0.895 nan 8.150 nan 0.000 0.501 132 A N 1.162 124.009 122.820 0.045 0.000 2.498 132 A HA 0.497 4.820 4.320 0.006 0.000 0.239 132 A C 1.658 179.259 177.584 0.029 0.000 1.068 132 A CA 0.815 52.874 52.037 0.037 0.000 0.766 132 A CB -0.534 18.485 19.000 0.032 0.000 1.003 132 A HN 2.771 nan 8.150 nan 0.000 0.497 133 G N 1.339 110.153 108.800 0.023 0.000 2.234 133 G HA2 -0.212 3.752 3.960 0.006 0.000 0.235 133 G HA3 -0.212 3.752 3.960 0.006 0.000 0.235 133 G C 0.508 175.421 174.900 0.022 0.000 0.997 133 G CA 0.394 45.505 45.100 0.019 0.000 0.623 133 G HN 1.248 nan 8.290 nan 0.000 0.514 134 T N 2.669 117.242 114.554 0.032 0.000 2.902 134 T HA 0.433 4.787 4.350 0.006 0.000 0.301 134 T C 0.613 175.330 174.700 0.028 0.000 1.012 134 T CA 0.991 63.115 62.100 0.040 0.000 1.151 134 T CB 1.030 69.943 68.868 0.076 0.000 0.946 134 T HN 0.254 nan 8.240 nan 0.000 0.542 135 T N 4.374 118.948 114.554 0.034 0.000 2.737 135 T HA 0.332 4.685 4.350 0.006 0.000 0.296 135 T C 0.350 175.089 174.700 0.064 0.000 0.922 135 T CA -0.498 61.626 62.100 0.040 0.000 1.079 135 T CB -0.252 68.647 68.868 0.051 0.000 0.892 135 T HN 0.690 nan 8.240 nan 0.000 0.514 136 c N 2.943 121.569 118.600 0.043 0.000 2.967 136 c HA 0.884 5.458 4.570 0.006 0.000 0.372 136 c C -0.023 174.101 174.090 0.057 0.000 1.455 136 c CA -0.674 55.699 56.329 0.074 0.000 1.638 136 c CB 1.602 44.086 42.510 -0.043 0.000 2.096 136 c HN 0.594 nan 8.230 nan 0.000 0.466 137 V N 0.290 120.213 119.914 0.015 0.000 2.841 137 V HA 0.717 4.841 4.120 0.006 0.000 0.310 137 V C -0.317 175.592 176.094 -0.307 0.000 1.090 137 V CA -0.155 62.053 62.300 -0.153 0.000 0.930 137 V CB 1.968 33.641 31.823 -0.251 0.000 1.014 137 V HN 0.969 nan 8.190 nan 0.000 0.425 138 T N 2.267 116.632 114.554 -0.314 0.000 2.893 138 T HA 0.830 5.183 4.350 0.006 0.000 0.291 138 T C -0.496 173.967 174.700 -0.395 0.000 1.028 138 T CA 0.053 61.977 62.100 -0.292 0.000 0.995 138 T CB 1.684 70.486 68.868 -0.111 0.000 1.051 138 T HN 1.096 nan 8.240 nan 0.000 0.470 139 T N 0.118 114.426 114.554 -0.410 0.000 2.883 139 T HA 0.928 5.282 4.350 0.006 0.000 0.296 139 T C -0.012 174.482 174.700 -0.344 0.000 1.117 139 T CA -0.273 61.533 62.100 -0.490 0.000 1.006 139 T CB 1.596 69.973 68.868 -0.818 0.000 1.191 139 T HN 1.274 nan 8.240 nan 0.000 0.508 140 G N -0.671 107.869 108.800 -0.432 0.000 2.320 140 G HA2 0.346 4.309 3.960 0.006 0.000 0.297 140 G HA3 0.346 4.309 3.960 0.006 0.000 0.297 140 G C -1.388 173.253 174.900 -0.431 0.000 1.344 140 G CA -0.810 44.080 45.100 -0.351 0.000 0.851 140 G HN 0.692 nan 8.290 nan 0.000 0.567 141 W N 1.258 122.456 121.300 -0.170 0.000 3.067 141 W HA 0.407 5.070 4.660 0.005 0.000 0.417 141 W C 1.104 177.506 176.519 -0.196 0.000 1.029 141 W CA -0.173 57.005 57.345 -0.279 0.000 1.992 141 W CB 0.889 30.001 29.460 -0.579 0.000 1.122 141 W HN 0.838 nan 8.180 nan 0.000 0.681 142 G N 0.932 109.783 108.800 0.084 0.000 2.667 142 G HA2 0.302 4.266 3.960 0.006 0.000 0.250 142 G HA3 0.302 4.266 3.960 0.006 0.000 0.250 142 G C 0.094 175.033 174.900 0.065 0.000 1.212 142 G CA -0.637 44.523 45.100 0.100 0.000 0.874 142 G HN -0.013 nan 8.290 nan 0.000 0.561 143 L N -0.255 121.019 121.223 0.085 0.000 2.529 143 L HA 0.059 4.402 4.340 0.006 0.000 0.287 143 L C 1.952 178.858 176.870 0.059 0.000 1.241 143 L CA 0.514 55.399 54.840 0.075 0.000 0.857 143 L CB 0.479 42.604 42.059 0.109 0.000 1.113 143 L HN 0.785 nan 8.230 nan 0.000 0.504 144 T N -1.016 113.564 114.554 0.043 0.000 3.040 144 T HA 0.142 4.495 4.350 0.006 0.000 0.250 144 T C 0.522 175.252 174.700 0.049 0.000 1.058 144 T CA -0.273 61.847 62.100 0.033 0.000 0.988 144 T CB 0.173 69.049 68.868 0.014 0.000 0.993 144 T HN 0.604 nan 8.240 nan 0.000 0.519 145 R N -0.126 120.414 120.500 0.066 0.000 2.515 145 R HA 0.461 4.804 4.340 0.006 0.000 0.278 145 R C -1.762 174.606 176.300 0.114 0.000 1.107 145 R CA -0.842 55.306 56.100 0.081 0.000 0.945 145 R CB 1.404 31.732 30.300 0.046 0.000 1.219 145 R HN 0.232 nan 8.270 nan 0.000 0.434 150 N N 0.994 119.705 118.700 0.018 0.000 2.430 150 N HA 0.564 5.307 4.740 0.006 0.000 0.298 150 N C 0.183 175.703 175.510 0.016 0.000 1.130 150 N CA 0.674 53.739 53.050 0.026 0.000 0.894 150 N CB 1.460 39.959 38.487 0.019 0.000 1.209 150 N HN 0.290 nan 8.380 nan 0.000 0.503 151 T N -0.068 114.489 114.554 0.005 0.000 2.898 151 T HA 0.364 4.717 4.350 0.006 0.000 0.301 151 T C -2.305 172.386 174.700 -0.015 0.000 1.049 151 T CA -1.182 60.914 62.100 -0.005 0.000 1.095 151 T CB 0.754 69.594 68.868 -0.046 0.000 0.976 151 T HN 0.421 nan 8.240 nan 0.000 0.539 152 P HA 0.264 nan 4.420 nan 0.000 0.275 152 P C -0.053 177.252 177.300 0.010 0.000 1.228 152 P CA -0.318 62.782 63.100 -0.000 0.000 0.786 152 P CB 0.811 32.509 31.700 -0.004 0.000 0.927 153 D N 1.392 121.769 120.400 -0.037 0.000 2.123 153 D HA -0.044 4.600 4.640 0.006 0.000 0.200 153 D C 0.714 176.977 176.300 -0.062 0.000 0.976 153 D CA 1.345 55.296 54.000 -0.082 0.000 0.831 153 D CB 0.098 40.838 40.800 -0.099 0.000 0.974 153 D HN 0.404 nan 8.370 nan 0.000 0.469 154 R N 0.427 120.844 120.500 -0.140 0.000 2.368 154 R HA 0.347 4.690 4.340 0.006 0.000 0.302 154 R C -0.302 175.814 176.300 -0.308 0.000 1.002 154 R CA -1.029 54.818 56.100 -0.423 0.000 0.929 154 R CB 1.377 31.305 30.300 -0.620 0.000 1.073 154 R HN -0.033 nan 8.270 nan 0.000 0.464 155 L N 2.622 123.557 121.223 -0.480 0.000 2.578 155 L HA -0.085 4.258 4.340 0.006 0.000 0.279 155 L C -0.372 176.266 176.870 -0.386 0.000 1.227 155 L CA 1.140 55.480 54.840 -0.833 0.000 0.900 155 L CB 0.307 41.964 42.059 -0.669 0.000 1.144 155 L HN 0.478 nan 8.230 nan 0.000 0.496 156 Q N 4.374 123.918 119.800 -0.427 0.000 2.297 156 Q HA 0.518 4.862 4.340 0.006 0.000 0.269 156 Q C -1.072 174.786 176.000 -0.236 0.000 1.051 156 Q CA -0.601 55.072 55.803 -0.218 0.000 0.869 156 Q CB 1.999 30.637 28.738 -0.168 0.000 1.346 156 Q HN 0.778 nan 8.270 nan 0.000 0.457 157 Q N -1.093 118.622 119.800 -0.142 0.000 2.462 157 Q HA 0.900 5.244 4.340 0.006 0.000 0.285 157 Q C -1.764 174.172 176.000 -0.107 0.000 1.035 157 Q CA -1.208 54.484 55.803 -0.185 0.000 0.799 157 Q CB 2.253 30.956 28.738 -0.058 0.000 1.452 157 Q HN 0.555 nan 8.270 nan 0.000 0.404 158 A N 0.959 123.702 122.820 -0.129 0.000 2.566 158 A HA 0.665 4.988 4.320 0.006 0.000 0.297 158 A C -1.212 176.337 177.584 -0.059 0.000 1.059 158 A CA -0.684 51.315 52.037 -0.064 0.000 0.691 158 A CB 2.187 21.156 19.000 -0.053 0.000 1.282 158 A HN 0.575 nan 8.150 nan 0.000 0.401 159 S N 1.038 116.732 115.700 -0.010 0.000 2.554 159 S HA 0.808 5.281 4.470 0.006 0.000 0.278 159 S C -0.283 174.315 174.600 -0.003 0.000 1.242 159 S CA -0.408 57.800 58.200 0.013 0.000 1.051 159 S CB 0.654 63.886 63.200 0.054 0.000 0.986 159 S HN 1.273 nan 8.310 nan 0.000 0.502 160 L N 0.194 121.410 121.223 -0.013 0.000 2.582 160 L HA 0.775 5.118 4.340 0.006 0.000 0.257 160 L C -3.221 173.633 176.870 -0.027 0.000 0.974 160 L CA -2.290 52.537 54.840 -0.021 0.000 0.851 160 L CB 2.324 44.364 42.059 -0.033 0.000 1.424 160 L HN 0.334 nan 8.230 nan 0.000 0.412 161 P HA 0.385 nan 4.420 nan 0.000 0.286 161 P C -0.915 176.366 177.300 -0.031 0.000 1.261 161 P CA -0.483 62.608 63.100 -0.015 0.000 0.821 161 P CB 1.858 33.557 31.700 -0.001 0.000 1.013 162 L N 2.540 123.746 121.223 -0.028 0.000 2.397 162 L HA 0.309 4.652 4.340 0.006 0.000 0.271 162 L C 0.670 177.540 176.870 0.000 0.000 1.148 162 L CA -0.494 54.326 54.840 -0.033 0.000 0.825 162 L CB -0.007 42.043 42.059 -0.015 0.000 1.117 162 L HN 0.236 nan 8.230 nan 0.000 0.456 163 L N 1.585 122.815 121.223 0.010 0.000 2.334 163 L HA 0.426 4.770 4.340 0.006 0.000 0.272 163 L C 0.416 177.309 176.870 0.039 0.000 1.020 163 L CA -0.625 54.232 54.840 0.028 0.000 0.812 163 L CB 1.938 44.021 42.059 0.040 0.000 1.264 163 L HN 0.683 nan 8.230 nan 0.000 0.439 164 S N 0.027 115.752 115.700 0.042 0.000 2.585 164 S HA 0.152 4.626 4.470 0.006 0.000 0.273 164 S C 0.753 175.388 174.600 0.059 0.000 1.339 164 S CA -0.724 57.504 58.200 0.046 0.000 1.028 164 S CB 0.874 64.098 63.200 0.040 0.000 0.906 164 S HN 0.611 nan 8.310 nan 0.000 0.528 165 N N 1.851 120.588 118.700 0.061 0.000 2.149 165 N HA -0.105 4.639 4.740 0.006 0.000 0.188 165 N C 1.630 177.188 175.510 0.081 0.000 1.019 165 N CA 1.761 54.856 53.050 0.075 0.000 0.857 165 N CB -1.030 37.498 38.487 0.069 0.000 0.997 165 N HN 0.754 nan 8.380 nan 0.000 0.426 166 T N 0.966 115.558 114.554 0.064 0.000 2.746 166 T HA -0.131 4.223 4.350 0.006 0.000 0.267 166 T C 1.762 176.501 174.700 0.066 0.000 1.039 166 T CA 1.314 63.450 62.100 0.060 0.000 1.142 166 T CB -0.328 68.567 68.868 0.045 0.000 0.866 166 T HN 0.328 nan 8.240 nan 0.000 0.444 167 N N 0.201 118.938 118.700 0.062 0.000 2.142 167 N HA -0.088 4.656 4.740 0.006 0.000 0.186 167 N C 2.058 177.620 175.510 0.087 0.000 1.023 167 N CA 1.178 54.264 53.050 0.060 0.000 0.852 167 N CB -0.751 37.764 38.487 0.046 0.000 0.998 167 N HN 0.379 nan 8.380 nan 0.000 0.424 168 c N 0.795 119.462 118.600 0.112 0.000 2.432 168 c HA 0.036 4.609 4.570 0.006 0.000 0.277 168 c C 2.221 176.453 174.090 0.236 0.000 1.249 168 c CA 0.845 57.282 56.329 0.181 0.000 1.725 168 c CB -0.980 41.642 42.510 0.186 0.000 2.028 168 c HN 0.457 nan 8.230 nan 0.000 0.477 169 K N 0.297 120.810 120.400 0.188 0.000 2.360 169 K HA -0.114 4.209 4.320 0.006 0.000 0.201 169 K C 1.952 178.631 176.600 0.130 0.000 1.046 169 K CA 1.019 57.417 56.287 0.185 0.000 0.945 169 K CB -0.144 32.437 32.500 0.135 0.000 0.750 169 K HN 0.569 nan 8.250 nan 0.000 0.464 170 K N -0.422 120.040 120.400 0.103 0.000 2.281 170 K HA -0.196 4.127 4.320 0.006 0.000 0.203 170 K C 1.522 178.152 176.600 0.051 0.000 1.046 170 K CA 1.325 57.650 56.287 0.064 0.000 0.938 170 K CB -0.016 32.518 32.500 0.057 0.000 0.737 170 K HN 0.250 nan 8.250 nan 0.000 0.458 171 Y N -1.548 118.702 120.300 -0.083 0.000 2.569 171 Y HA 0.011 4.563 4.550 0.005 0.000 0.278 171 Y C 1.179 176.934 175.900 -0.241 0.000 1.130 171 Y CA 0.292 58.242 58.100 -0.251 0.000 1.280 171 Y CB 0.068 38.255 38.460 -0.456 0.000 1.379 171 Y HN -0.025 nan 8.280 nan 0.000 0.508 172 W N 1.530 122.973 121.300 0.238 0.000 3.047 172 W HA 0.278 4.941 4.660 0.005 0.000 0.250 172 W C 1.707 178.292 176.519 0.109 0.000 1.314 172 W CA 0.809 58.274 57.345 0.200 0.000 1.540 172 W CB -0.362 29.286 29.460 0.314 0.000 1.127 172 W HN 0.457 nan 8.180 nan 0.000 0.679 173 G N 1.338 110.285 108.800 0.243 0.000 2.614 173 G HA2 -0.492 3.471 3.960 0.006 0.000 0.303 173 G HA3 -0.492 3.471 3.960 0.006 0.000 0.303 173 G C 0.972 175.978 174.900 0.177 0.000 1.270 173 G CA 1.742 46.936 45.100 0.157 0.000 0.988 173 G HN 0.298 nan 8.290 nan 0.000 0.551 174 T N -0.849 113.780 114.554 0.125 0.000 3.163 174 T HA 0.161 4.515 4.350 0.006 0.000 0.260 174 T C 1.775 176.544 174.700 0.116 0.000 1.156 174 T CA 1.644 63.805 62.100 0.102 0.000 1.072 174 T CB 0.030 68.933 68.868 0.059 0.000 0.937 174 T HN 0.474 nan 8.240 nan 0.000 0.528 175 K N 0.785 121.294 120.400 0.181 0.000 2.366 175 K HA 0.188 4.512 4.320 0.006 0.000 0.198 175 K C 0.644 177.387 176.600 0.238 0.000 1.044 175 K CA 0.099 56.484 56.287 0.163 0.000 0.973 175 K CB -0.065 32.566 32.500 0.219 0.000 0.767 175 K HN 0.427 nan 8.250 nan 0.000 0.475 176 I N 2.957 123.682 120.570 0.259 0.000 2.379 176 I HA 0.045 4.219 4.170 0.006 0.000 0.290 176 I C 0.612 176.817 176.117 0.147 0.000 1.063 176 I CA -0.252 61.182 61.300 0.223 0.000 1.351 176 I CB 0.432 38.550 38.000 0.196 0.000 1.410 176 I HN -0.175 nan 8.210 nan 0.000 0.505 177 K N 4.549 125.031 120.400 0.136 0.000 2.245 177 K HA 0.232 4.556 4.320 0.006 0.000 0.234 177 K C 0.831 177.479 176.600 0.079 0.000 1.021 177 K CA -0.569 55.772 56.287 0.089 0.000 0.898 177 K CB 0.794 33.335 32.500 0.069 0.000 1.163 177 K HN 0.461 nan 8.250 nan 0.000 0.459 178 D N -0.473 119.962 120.400 0.059 0.000 2.309 178 D HA -0.097 4.546 4.640 0.006 0.000 0.212 178 D C 0.696 177.031 176.300 0.058 0.000 0.968 178 D CA 0.817 54.850 54.000 0.055 0.000 0.882 178 D CB -0.039 40.786 40.800 0.043 0.000 0.918 178 D HN 0.376 nan 8.370 nan 0.000 0.503 179 A N -0.397 122.461 122.820 0.063 0.000 2.610 179 A HA 0.450 4.774 4.320 0.006 0.000 0.286 179 A C 0.341 177.974 177.584 0.081 0.000 1.306 179 A CA -0.517 51.559 52.037 0.065 0.000 0.942 179 A CB -0.380 18.652 19.000 0.053 0.000 1.112 179 A HN 0.162 nan 8.150 nan 0.000 0.527 180 M N -0.091 119.558 119.600 0.083 0.000 2.535 180 M HA 0.611 5.095 4.480 0.006 0.000 0.314 180 M C -0.912 175.423 176.300 0.057 0.000 1.153 180 M CA -0.414 54.932 55.300 0.076 0.000 0.924 180 M CB 2.494 35.148 32.600 0.089 0.000 1.710 180 M HN 0.262 nan 8.290 nan 0.000 0.451 181 I N 1.098 121.698 120.570 0.050 0.000 2.619 181 I HA 0.540 4.714 4.170 0.006 0.000 0.292 181 I C -1.392 174.763 176.117 0.063 0.000 1.100 181 I CA -0.475 60.853 61.300 0.047 0.000 1.043 181 I CB 1.426 39.444 38.000 0.029 0.000 1.239 181 I HN 0.787 nan 8.210 nan 0.000 0.420 182 c N 5.827 124.455 118.600 0.048 0.000 2.358 182 c HA 1.015 5.588 4.570 0.006 0.000 0.354 182 c C 0.274 174.394 174.090 0.050 0.000 1.183 182 c CA -0.266 56.108 56.329 0.074 0.000 2.150 182 c CB 0.750 43.298 42.510 0.062 0.000 2.361 182 c HN 0.874 nan 8.230 nan 0.000 0.535 183 A N 0.852 123.726 122.820 0.091 0.000 2.612 183 A HA 0.923 5.247 4.320 0.006 0.000 0.293 183 A C -0.121 177.502 177.584 0.066 0.000 1.075 183 A CA 0.434 52.471 52.037 0.001 0.000 0.680 183 A CB 0.782 19.655 19.000 -0.212 0.000 1.279 183 A HN 2.605 nan 8.150 nan 0.000 0.411 184 G N -0.104 108.706 108.800 0.017 0.000 2.516 184 G HA2 0.488 4.452 3.960 0.006 0.000 0.220 184 G HA3 0.488 4.452 3.960 0.006 0.000 0.220 184 G C 0.897 175.796 174.900 -0.002 0.000 1.165 184 G CA 1.640 46.752 45.100 0.021 0.000 1.013 184 G HN 2.686 nan 8.290 nan 0.000 0.590 185 A N -1.876 120.933 122.820 -0.019 0.000 2.826 185 A HA 0.096 4.420 4.320 0.006 0.000 0.274 185 A C 1.599 179.160 177.584 -0.038 0.000 1.443 185 A CA 2.727 54.730 52.037 -0.056 0.000 0.833 185 A CB -2.134 16.819 19.000 -0.078 0.000 1.023 185 A HN 2.637 nan 8.150 nan 0.000 0.600 186 S N -2.562 113.125 115.700 -0.022 0.000 2.663 186 S HA 0.519 4.992 4.470 0.006 0.000 0.243 186 S C 1.593 176.186 174.600 -0.010 0.000 1.009 186 S CA 0.986 59.178 58.200 -0.014 0.000 0.988 186 S CB 0.369 63.565 63.200 -0.007 0.000 0.896 186 S HN 2.438 nan 8.310 nan 0.000 0.502 187 G N 0.396 109.188 108.800 -0.014 0.000 2.184 187 G HA2 -0.167 3.797 3.960 0.006 0.000 0.206 187 G HA3 -0.167 3.797 3.960 0.006 0.000 0.206 187 G C 0.008 174.906 174.900 -0.004 0.000 0.995 187 G CA 0.024 45.120 45.100 -0.008 0.000 0.651 187 G HN 1.605 nan 8.290 nan 0.000 0.511 188 V N -2.721 117.191 119.914 -0.004 0.000 3.141 188 V HA 0.991 5.114 4.120 0.006 0.000 0.312 188 V C -0.282 175.814 176.094 0.004 0.000 1.157 188 V CA -0.161 62.139 62.300 0.000 0.000 1.041 188 V CB 1.839 33.661 31.823 -0.002 0.000 1.071 188 V HN 1.571 nan 8.190 nan 0.000 0.441 189 S N 0.411 116.117 115.700 0.010 0.000 2.542 189 S HA 0.596 5.070 4.470 0.006 0.000 0.276 189 S C -0.570 174.041 174.600 0.018 0.000 1.148 189 S CA -0.262 57.946 58.200 0.014 0.000 0.886 189 S CB 1.873 65.074 63.200 0.001 0.000 1.109 189 S HN 1.267 nan 8.310 nan 0.000 0.458 190 S N 2.012 117.723 115.700 0.018 0.000 2.593 190 S HA 0.638 5.111 4.470 0.006 0.000 0.269 190 S C -0.127 174.479 174.600 0.011 0.000 1.334 190 S CA -0.342 57.864 58.200 0.010 0.000 1.015 190 S CB 0.930 64.112 63.200 -0.029 0.000 0.912 190 S HN 0.844 nan 8.310 nan 0.000 0.541 191 c N 1.784 120.408 118.600 0.040 0.000 3.323 191 c HA 0.556 5.129 4.570 0.006 0.000 0.324 191 c C -0.914 173.242 174.090 0.110 0.000 1.428 191 c CA -0.977 55.398 56.329 0.076 0.000 1.368 191 c CB 0.847 43.416 42.510 0.100 0.000 1.731 191 c HN 0.874 nan 8.230 nan 0.000 0.455 192 M N 2.533 122.223 119.600 0.150 0.000 2.323 192 M HA 0.312 4.795 4.480 0.006 0.000 0.386 192 M C 1.266 177.672 176.300 0.176 0.000 1.525 192 M CA 2.082 57.485 55.300 0.172 0.000 0.914 192 M CB -0.539 32.178 32.600 0.195 0.000 2.042 192 M HN 1.127 nan 8.290 nan 0.000 0.483 193 G N 1.751 110.671 108.800 0.200 0.000 2.218 193 G HA2 -0.195 3.769 3.960 0.006 0.000 0.216 193 G HA3 -0.195 3.769 3.960 0.006 0.000 0.216 193 G C 0.720 175.790 174.900 0.284 0.000 0.994 193 G CA 0.057 45.313 45.100 0.260 0.000 0.637 193 G HN 0.624 nan 8.290 nan 0.000 0.505 194 D N 0.940 121.447 120.400 0.179 0.000 2.305 194 D HA 0.188 4.832 4.640 0.006 0.000 0.206 194 D C 1.441 177.809 176.300 0.114 0.000 0.974 194 D CA 0.704 54.783 54.000 0.132 0.000 0.871 194 D CB 0.098 40.938 40.800 0.067 0.000 0.947 194 D HN 0.330 nan 8.370 nan 0.000 0.516 195 S N -0.624 115.156 115.700 0.133 0.000 2.561 195 S HA 0.232 4.706 4.470 0.006 0.000 0.294 195 S C 1.548 176.176 174.600 0.047 0.000 1.294 195 S CA 0.998 59.282 58.200 0.139 0.000 1.055 195 S CB 0.756 64.140 63.200 0.305 0.000 0.819 195 S HN 0.494 nan 8.310 nan 0.000 0.503 196 G N 2.144 110.959 108.800 0.025 0.000 2.253 196 G HA2 -0.213 3.750 3.960 0.006 0.000 0.251 196 G HA3 -0.213 3.750 3.960 0.006 0.000 0.251 196 G C 0.481 175.411 174.900 0.049 0.000 0.998 196 G CA 0.151 45.250 45.100 -0.002 0.000 0.621 196 G HN 1.147 nan 8.290 nan 0.000 0.524 197 G N 0.900 109.741 108.800 0.068 0.000 2.651 197 G HA2 0.573 4.537 3.960 0.006 0.000 0.260 197 G HA3 0.573 4.537 3.960 0.006 0.000 0.260 197 G C -1.856 173.089 174.900 0.075 0.000 1.216 197 G CA -0.093 45.051 45.100 0.073 0.000 0.913 197 G HN 0.417 nan 8.290 nan 0.000 0.535 198 P HA 0.361 nan 4.420 nan 0.000 0.284 198 P C -1.201 176.065 177.300 -0.058 0.000 1.258 198 P CA -0.603 62.506 63.100 0.017 0.000 0.824 198 P CB 2.087 33.827 31.700 0.067 0.000 1.038 199 L N 3.805 124.962 121.223 -0.110 0.000 2.377 199 L HA 0.402 4.746 4.340 0.006 0.000 0.270 199 L C -0.822 175.923 176.870 -0.207 0.000 0.991 199 L CA -0.813 53.880 54.840 -0.244 0.000 0.851 199 L CB 1.060 42.839 42.059 -0.467 0.000 1.218 199 L HN 0.211 nan 8.230 nan 0.000 0.420 200 V N 1.393 121.224 119.914 -0.138 0.000 2.815 200 V HA 0.880 5.004 4.120 0.006 0.000 0.314 200 V C -0.282 175.924 176.094 0.188 0.000 1.064 200 V CA -0.617 61.686 62.300 0.004 0.000 0.952 200 V CB 1.371 33.277 31.823 0.139 0.000 1.020 200 V HN 0.824 nan 8.190 nan 0.000 0.439 201 c N 2.143 120.829 118.600 0.142 0.000 2.994 201 c HA 0.622 5.195 4.570 0.006 0.000 0.304 201 c C -0.068 174.027 174.090 0.007 0.000 1.273 201 c CA -1.051 55.343 56.329 0.108 0.000 1.537 201 c CB 1.805 44.288 42.510 -0.046 0.000 2.001 201 c HN 1.006 nan 8.230 nan 0.000 0.471 202 K N 1.270 121.527 120.400 -0.239 0.000 2.185 202 K HA 0.451 4.774 4.320 0.006 0.000 0.271 202 K C -0.425 176.116 176.600 -0.099 0.000 1.013 202 K CA -0.117 55.946 56.287 -0.374 0.000 0.943 202 K CB 0.833 32.966 32.500 -0.612 0.000 0.998 202 K HN 0.602 nan 8.250 nan 0.000 0.468 203 K N 2.883 123.237 120.400 -0.078 0.000 2.668 203 K HA 0.096 4.419 4.320 0.006 0.000 0.246 203 K C -0.915 175.657 176.600 -0.047 0.000 0.976 203 K CA -0.314 55.970 56.287 -0.006 0.000 0.902 203 K CB 0.460 33.016 32.500 0.093 0.000 1.172 203 K HN 0.641 nan 8.250 nan 0.000 0.452 204 N N 2.670 121.335 118.700 -0.060 0.000 2.782 204 N HA -0.197 4.547 4.740 0.006 0.000 0.251 204 N C 0.467 175.938 175.510 -0.065 0.000 1.101 204 N CA 1.550 54.568 53.050 -0.054 0.000 0.764 204 N CB -1.080 37.386 38.487 -0.036 0.000 1.122 204 N HN 1.096 nan 8.380 nan 0.000 0.561 205 G N -2.023 106.712 108.800 -0.108 0.000 2.176 205 G HA2 -0.001 3.963 3.960 0.006 0.000 0.232 205 G HA3 -0.001 3.963 3.960 0.006 0.000 0.232 205 G C 0.033 174.844 174.900 -0.147 0.000 0.986 205 G CA 0.640 45.665 45.100 -0.125 0.000 0.643 205 G HN 1.156 nan 8.290 nan 0.000 0.522 206 A N -0.697 122.041 122.820 -0.137 0.000 2.356 206 A HA 0.721 5.045 4.320 0.006 0.000 0.323 206 A C -0.532 176.972 177.584 -0.133 0.000 1.119 206 A CA -0.742 51.248 52.037 -0.078 0.000 0.790 206 A CB 0.871 19.876 19.000 0.008 0.000 1.273 206 A HN 0.621 nan 8.150 nan 0.000 0.452 207 W N 1.211 122.532 121.300 0.036 0.000 2.311 207 W HA 0.485 5.149 4.660 0.006 0.000 0.310 207 W C 0.068 176.464 176.519 -0.205 0.000 1.274 207 W CA 0.497 57.830 57.345 -0.021 0.000 1.215 207 W CB 1.399 30.929 29.460 0.116 0.000 1.227 207 W HN 0.562 nan 8.180 nan 0.000 0.523 208 T N 4.405 118.987 114.554 0.047 0.000 2.841 208 T HA 0.292 4.646 4.350 0.006 0.000 0.283 208 T C -0.903 173.700 174.700 -0.163 0.000 1.000 208 T CA -0.834 61.224 62.100 -0.070 0.000 0.977 208 T CB 1.251 70.135 68.868 0.026 0.000 0.979 208 T HN 0.152 nan 8.240 nan 0.000 0.446 209 L N 4.701 125.803 121.223 -0.201 0.000 2.456 209 L HA 0.227 4.571 4.340 0.006 0.000 0.277 209 L C 0.756 177.487 176.870 -0.230 0.000 1.124 209 L CA 0.583 55.301 54.840 -0.203 0.000 0.880 209 L CB 0.097 42.060 42.059 -0.159 0.000 1.192 209 L HN 0.601 nan 8.230 nan 0.000 0.463 210 V N 4.217 123.937 119.914 -0.324 0.000 3.085 210 V HA 0.448 4.572 4.120 0.006 0.000 0.245 210 V C 1.005 176.962 176.094 -0.228 0.000 1.114 210 V CA 0.765 62.803 62.300 -0.435 0.000 1.108 210 V CB 0.117 31.504 31.823 -0.726 0.000 0.798 210 V HN 0.852 nan 8.190 nan 0.000 0.471 211 G N -0.637 108.056 108.800 -0.178 0.000 2.690 211 G HA2 0.714 4.678 3.960 0.006 0.000 0.291 211 G HA3 0.714 4.678 3.960 0.006 0.000 0.291 211 G C -1.704 173.225 174.900 0.048 0.000 1.403 211 G CA -0.537 44.530 45.100 -0.054 0.000 0.864 211 G HN 0.021 nan 8.290 nan 0.000 0.480 212 I N 0.857 121.527 120.570 0.166 0.000 2.466 212 I HA 0.245 4.419 4.170 0.006 0.000 0.289 212 I C 0.073 176.325 176.117 0.225 0.000 1.026 212 I CA -1.039 60.359 61.300 0.165 0.000 1.078 212 I CB 2.292 40.354 38.000 0.104 0.000 1.249 212 I HN 0.164 nan 8.210 nan 0.000 0.429 213 V N 5.229 125.265 119.914 0.204 0.000 2.539 213 V HA -0.059 4.064 4.120 0.006 0.000 0.300 213 V C 0.833 176.919 176.094 -0.014 0.000 1.019 213 V CA 0.831 63.109 62.300 -0.037 0.000 1.160 213 V CB 0.688 32.519 31.823 0.012 0.000 0.901 213 V HN 0.981 nan 8.190 nan 0.000 0.481 214 S N 4.836 120.436 115.700 -0.167 0.000 3.334 214 S HA 0.372 4.845 4.470 0.006 0.000 0.224 214 S C -0.084 174.541 174.600 0.041 0.000 0.959 214 S CA 0.041 58.295 58.200 0.091 0.000 0.815 214 S CB 0.578 63.841 63.200 0.106 0.000 0.861 214 S HN 0.890 nan 8.310 nan 0.000 0.596 215 W N -0.196 120.924 121.300 -0.299 0.000 2.988 215 W HA 0.635 5.298 4.660 0.004 0.000 0.355 215 W C -0.161 176.156 176.519 -0.337 0.000 1.233 215 W CA -0.401 56.756 57.345 -0.314 0.000 1.176 215 W CB 0.253 29.512 29.460 -0.335 0.000 1.477 215 W HN 0.621 nan 8.180 nan 0.000 0.582 216 G N 0.338 109.165 108.800 0.046 0.000 2.498 216 G HA2 0.263 4.226 3.960 0.006 0.000 0.181 216 G HA3 0.263 4.226 3.960 0.006 0.000 0.181 216 G C -1.090 173.993 174.900 0.306 0.000 1.169 216 G CA -0.174 44.893 45.100 -0.056 0.000 0.992 216 G HN 0.794 nan 8.290 nan 0.000 0.490 217 S N 0.000 115.908 115.700 0.346 0.000 2.546 217 S HA 0.304 4.778 4.470 0.006 0.000 0.290 217 S C 1.452 176.115 174.600 0.105 0.000 1.290 217 S CA 0.774 59.145 58.200 0.284 0.000 1.069 217 S CB 0.610 63.864 63.200 0.090 0.000 0.846 217 S HN 0.810 nan 8.310 nan 0.000 0.495 218 S N 2.886 118.643 115.700 0.095 0.000 2.603 218 S HA -0.001 4.472 4.470 0.006 0.000 0.229 218 S C 1.441 175.831 174.600 -0.349 0.000 0.972 218 S CA 0.926 59.111 58.200 -0.026 0.000 0.935 218 S CB -0.116 63.114 63.200 0.050 0.000 0.769 218 S HN 0.968 nan 8.310 nan 0.000 0.536 219 T N -2.982 111.292 114.554 -0.467 0.000 3.231 219 T HA 0.189 4.543 4.350 0.006 0.000 0.292 219 T C 0.506 174.833 174.700 -0.622 0.000 1.001 219 T CA -0.191 61.276 62.100 -1.056 0.000 0.920 219 T CB -0.939 67.628 68.868 -0.502 0.000 1.140 219 T HN 0.201 nan 8.240 nan 0.000 0.525 220 c N 1.887 120.300 118.600 -0.313 0.000 4.235 220 c HA -0.140 4.433 4.570 0.006 0.000 0.301 220 c C 1.027 175.078 174.090 -0.065 0.000 1.409 220 c CA 0.385 56.649 56.329 -0.109 0.000 2.024 220 c CB -3.298 39.198 42.510 -0.023 0.000 1.286 220 c HN 0.901 nan 8.230 nan 0.000 0.746 221 S N 0.715 116.370 115.700 -0.075 0.000 2.549 221 S HA 0.360 4.833 4.470 0.006 0.000 0.283 221 S C 1.452 176.020 174.600 -0.054 0.000 1.320 221 S CA 0.545 58.710 58.200 -0.059 0.000 1.058 221 S CB 0.858 64.012 63.200 -0.076 0.000 0.882 221 S HN 0.924 nan 8.310 nan 0.000 0.498 222 T N 0.871 115.402 114.554 -0.039 0.000 3.148 222 T HA 0.045 4.399 4.350 0.006 0.000 0.253 222 T C 1.204 175.870 174.700 -0.056 0.000 1.134 222 T CA 0.570 62.650 62.100 -0.035 0.000 1.051 222 T CB -0.326 68.533 68.868 -0.016 0.000 0.959 222 T HN 0.604 nan 8.240 nan 0.000 0.525 223 S N -0.260 115.387 115.700 -0.087 0.000 2.554 223 S HA 0.270 4.744 4.470 0.006 0.000 0.226 223 S C 0.360 174.832 174.600 -0.213 0.000 0.980 223 S CA -0.640 57.493 58.200 -0.112 0.000 0.939 223 S CB 0.020 63.166 63.200 -0.089 0.000 0.832 223 S HN 0.352 nan 8.310 nan 0.000 0.486 224 T N 4.317 118.719 114.554 -0.254 0.000 2.855 224 T HA 0.554 4.908 4.350 0.006 0.000 0.281 224 T C -3.035 171.536 174.700 -0.214 0.000 1.007 224 T CA -1.644 60.180 62.100 -0.459 0.000 1.009 224 T CB 1.600 70.160 68.868 -0.514 0.000 0.983 224 T HN -0.006 nan 8.240 nan 0.000 0.455 225 P HA 0.302 nan 4.420 nan 0.000 0.271 225 P C -0.032 177.368 177.300 0.165 0.000 1.220 225 P CA -0.169 62.973 63.100 0.071 0.000 0.768 225 P CB 0.420 32.219 31.700 0.166 0.000 0.848 226 G N 2.112 110.951 108.800 0.064 0.000 2.420 226 G HA2 0.483 4.447 3.960 0.006 0.000 0.284 226 G HA3 0.483 4.447 3.960 0.006 0.000 0.284 226 G C -0.859 173.892 174.900 -0.248 0.000 1.177 226 G CA -0.372 44.673 45.100 -0.091 0.000 0.841 226 G HN 0.338 nan 8.290 nan 0.000 0.527 227 V N 1.635 121.092 119.914 -0.761 0.000 2.513 227 V HA 0.518 4.642 4.120 0.006 0.000 0.299 227 V C -0.988 174.615 176.094 -0.820 0.000 1.035 227 V CA -0.690 61.091 62.300 -0.866 0.000 0.889 227 V CB 0.926 31.631 31.823 -1.863 0.000 0.988 227 V HN 0.637 nan 8.190 nan 0.000 0.440 228 Y N 1.316 121.440 120.300 -0.294 0.000 2.536 228 Y HA 0.741 5.295 4.550 0.006 0.000 0.347 228 Y C 0.454 176.314 175.900 -0.067 0.000 1.000 228 Y CA -1.052 56.964 58.100 -0.140 0.000 1.051 228 Y CB 1.767 40.162 38.460 -0.109 0.000 1.259 228 Y HN 0.724 nan 8.280 nan 0.000 0.468 229 A N 2.314 125.217 122.820 0.139 0.000 2.454 229 A HA 0.326 4.650 4.320 0.006 0.000 0.260 229 A C 0.248 177.890 177.584 0.096 0.000 1.106 229 A CA -0.521 51.585 52.037 0.114 0.000 0.780 229 A CB -0.017 19.047 19.000 0.107 0.000 1.044 229 A HN 0.786 nan 8.150 nan 0.000 0.498 230 R N 3.525 124.072 120.500 0.079 0.000 2.291 230 R HA 0.254 4.597 4.340 0.006 0.000 0.333 230 R C 0.441 176.777 176.300 0.061 0.000 1.082 230 R CA -0.311 55.825 56.100 0.060 0.000 0.948 230 R CB 0.183 30.522 30.300 0.066 0.000 1.009 230 R HN 0.571 nan 8.270 nan 0.000 0.460 231 V N 3.258 123.198 119.914 0.042 0.000 2.392 231 V HA -0.282 3.842 4.120 0.006 0.000 0.249 231 V C 2.395 178.537 176.094 0.080 0.000 1.059 231 V CA 2.396 64.729 62.300 0.054 0.000 1.051 231 V CB -0.711 31.120 31.823 0.014 0.000 0.658 231 V HN 0.928 nan 8.190 nan 0.000 0.455 232 T N -0.952 113.659 114.554 0.096 0.000 2.881 232 T HA -0.114 4.240 4.350 0.006 0.000 0.270 232 T C 1.735 176.492 174.700 0.094 0.000 1.068 232 T CA 1.406 63.576 62.100 0.116 0.000 1.131 232 T CB -0.381 68.580 68.868 0.156 0.000 0.871 232 T HN 0.499 nan 8.240 nan 0.000 0.479 233 A N 0.488 123.359 122.820 0.086 0.000 2.169 233 A HA 0.513 4.836 4.320 0.006 0.000 0.212 233 A C 1.992 179.628 177.584 0.086 0.000 1.153 233 A CA 0.320 52.403 52.037 0.076 0.000 0.756 233 A CB -0.352 18.688 19.000 0.066 0.000 0.813 233 A HN 0.572 nan 8.150 nan 0.000 0.471 234 L N -1.896 119.390 121.223 0.105 0.000 2.920 234 L HA 0.169 4.512 4.340 0.006 0.000 0.257 234 L C 1.827 178.834 176.870 0.228 0.000 1.150 234 L CA 0.033 54.965 54.840 0.153 0.000 0.959 234 L CB 0.592 42.720 42.059 0.115 0.000 1.321 234 L HN 0.148 nan 8.230 nan 0.000 0.555 235 V N 0.545 120.549 119.914 0.149 0.000 2.626 235 V HA -0.230 3.894 4.120 0.006 0.000 0.252 235 V C 1.819 177.963 176.094 0.083 0.000 1.067 235 V CA 2.158 64.524 62.300 0.110 0.000 1.081 235 V CB -0.275 31.589 31.823 0.068 0.000 0.686 235 V HN 0.553 nan 8.190 nan 0.000 0.468 236 N N -1.264 117.497 118.700 0.102 0.000 2.188 236 N HA -0.226 4.518 4.740 0.006 0.000 0.184 236 N C 1.585 177.144 175.510 0.080 0.000 1.018 236 N CA 1.559 54.650 53.050 0.068 0.000 0.858 236 N CB -0.290 38.243 38.487 0.077 0.000 0.989 236 N HN 0.757 nan 8.380 nan 0.000 0.426 237 W N 1.766 123.054 121.300 -0.019 0.000 2.388 237 W HA -0.101 4.562 4.660 0.006 0.000 0.294 237 W C 1.752 178.234 176.519 -0.063 0.000 1.212 237 W CA 0.732 58.064 57.345 -0.020 0.000 1.271 237 W CB -0.429 29.039 29.460 0.012 0.000 1.126 237 W HN -0.253 nan 8.180 nan 0.000 0.535 238 V N 1.321 121.189 119.914 -0.076 0.000 2.261 238 V HA -0.353 3.771 4.120 0.006 0.000 0.246 238 V C 2.647 178.460 176.094 -0.468 0.000 1.047 238 V CA 2.251 64.328 62.300 -0.371 0.000 1.015 238 V CB -1.099 30.678 31.823 -0.076 0.000 0.642 238 V HN 0.189 nan 8.190 nan 0.000 0.446 239 Q N -0.173 119.460 119.800 -0.278 0.000 2.096 239 Q HA -0.265 4.079 4.340 0.006 0.000 0.204 239 Q C 2.260 178.065 176.000 -0.324 0.000 0.982 239 Q CA 1.892 57.531 55.803 -0.273 0.000 0.850 239 Q CB -0.490 28.156 28.738 -0.153 0.000 0.901 239 Q HN 0.721 nan 8.270 nan 0.000 0.422 240 Q N -0.393 119.229 119.800 -0.297 0.000 2.084 240 Q HA -0.109 4.235 4.340 0.006 0.000 0.202 240 Q C 2.117 177.878 176.000 -0.399 0.000 0.978 240 Q CA 1.734 57.372 55.803 -0.275 0.000 0.844 240 Q CB -0.126 28.499 28.738 -0.188 0.000 0.898 240 Q HN 0.366 nan 8.270 nan 0.000 0.426 241 T N 1.054 115.223 114.554 -0.642 0.000 2.746 241 T HA -0.120 4.234 4.350 0.006 0.000 0.267 241 T C 1.701 175.921 174.700 -0.801 0.000 1.039 241 T CA 0.908 62.545 62.100 -0.771 0.000 1.142 241 T CB -0.140 68.029 68.868 -1.165 0.000 0.866 241 T HN 0.042 nan 8.240 nan 0.000 0.444 242 L N 1.184 121.861 121.223 -0.910 0.000 2.046 242 L HA 0.067 4.411 4.340 0.006 0.000 0.208 242 L C 2.808 179.387 176.870 -0.485 0.000 1.077 242 L CA 1.501 55.760 54.840 -0.967 0.000 0.747 242 L CB -1.160 40.346 42.059 -0.921 0.000 0.896 242 L HN 0.232 nan 8.230 nan 0.000 0.432 243 A N -0.764 121.839 122.820 -0.362 0.000 1.933 243 A HA -0.107 4.216 4.320 0.006 0.000 0.218 243 A C 2.321 179.815 177.584 -0.151 0.000 1.175 243 A CA 1.692 53.602 52.037 -0.211 0.000 0.628 243 A CB -0.760 18.136 19.000 -0.173 0.000 0.814 243 A HN 0.370 nan 8.150 nan 0.000 0.444 244 A N -1.257 121.458 122.820 -0.173 0.000 2.218 244 A HA 0.212 4.535 4.320 0.006 0.000 0.209 244 A C 0.796 178.360 177.584 -0.033 0.000 1.168 244 A CA 0.100 52.084 52.037 -0.087 0.000 0.804 244 A CB -0.109 18.846 19.000 -0.075 0.000 0.834 244 A HN 0.543 nan 8.150 nan 0.000 0.482 245 N N 0.000 118.668 118.700 -0.054 0.000 1.763 245 N HA 0.000 4.744 4.740 0.006 0.000 0.220 245 N CA 0.000 53.110 53.050 0.100 0.000 0.885 245 N CB 0.000 38.576 38.487 0.148 0.000 1.341 245 N HN 0.000 nan 8.380 nan 0.000 0.667