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 3idy_1_A DATA FIRST_RESID 83 DATA SEQUENCE EVVLVNVTEN FNWcKNDMVE QMHEDIcSLW DQSLKPcVKL TPLcVXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXScNTSVIT QAcPKVSFEP IPIHYcAPAG FAILKcNNKT DATA SEQUENCE FNGTGPcTNV STVQcTHGIR PVVSSQLLLN GSLAEEEVVI RScNFTDNAK DATA SEQUENCE TIIVQLNTSV EINcTGAXXX XXXXXXXXXX XXXXXXXXXX XXXXXXGHcN DATA SEQUENCE IARAKWNNTL KQIASKLREQ FGNNKTIIFK QSSGGDPEIV THWFNcGGEF DATA SEQUENCE FYcNSTQLFN STWFNSXXXX XXXXXXXGSD TITLPcRIKQ IINMWcKVGK DATA SEQUENCE MMYAPPISGQ IRcSSNITGL LLTRDGGNSN NESEIFRPGG GDMRDNWRSE DATA SEQUENCE LYKYKVVKIE 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 83 E HA 0.000 nan 4.350 nan 0.000 0.291 83 E C 0.000 176.616 176.600 0.027 0.000 1.382 83 E CA 0.000 56.420 56.400 0.033 0.000 0.976 83 E CB 0.000 29.721 29.700 0.036 0.000 0.812 84 V N 1.312 121.244 119.914 0.031 0.000 2.340 84 V HA 0.565 4.686 4.120 0.000 0.000 0.277 84 V C 0.056 176.165 176.094 0.024 0.000 1.017 84 V CA -0.980 61.334 62.300 0.023 0.000 0.820 84 V CB 1.500 33.335 31.823 0.020 0.000 1.028 84 V HN 0.075 nan 8.190 nan 0.000 0.436 85 V N 7.059 126.984 119.914 0.019 0.000 2.446 85 V HA 0.351 4.472 4.120 0.000 0.000 0.276 85 V C 0.231 176.331 176.094 0.010 0.000 1.030 85 V CA 0.082 62.391 62.300 0.015 0.000 1.033 85 V CB 0.743 32.572 31.823 0.010 0.000 0.993 85 V HN 0.768 nan 8.190 nan 0.000 0.477 86 L N 7.613 128.842 121.223 0.010 0.000 2.499 86 L HA 0.213 4.553 4.340 0.000 0.000 0.273 86 L C 0.213 177.080 176.870 -0.005 0.000 1.195 86 L CA 0.779 55.620 54.840 0.002 0.000 0.882 86 L CB 1.131 43.189 42.059 -0.001 0.000 1.133 86 L HN 0.681 nan 8.230 nan 0.000 0.483 87 V N 1.304 121.214 119.914 -0.007 0.000 2.383 87 V HA 0.435 4.555 4.120 0.000 0.000 0.275 87 V C 0.961 177.048 176.094 -0.012 0.000 1.036 87 V CA -0.613 61.682 62.300 -0.008 0.000 0.889 87 V CB 0.914 32.733 31.823 -0.006 0.000 0.985 87 V HN 0.921 nan 8.190 nan 0.000 0.459 88 N N 1.114 119.805 118.700 -0.014 0.000 2.946 88 N HA -0.172 4.568 4.740 0.000 0.000 0.228 88 N C 0.283 175.779 175.510 -0.022 0.000 0.873 88 N CA 1.252 54.293 53.050 -0.016 0.000 1.029 88 N CB -0.363 38.117 38.487 -0.013 0.000 1.047 88 N HN 0.655 nan 8.380 nan 0.000 0.612 89 V N 1.761 121.660 119.914 -0.025 0.000 2.614 89 V HA 0.288 4.408 4.120 0.000 0.000 0.291 89 V C 0.775 176.838 176.094 -0.051 0.000 1.049 89 V CA 0.494 62.773 62.300 -0.035 0.000 1.038 89 V CB 1.444 33.248 31.823 -0.032 0.000 0.980 89 V HN 0.315 nan 8.190 nan 0.000 0.481 90 T N 1.844 116.360 114.554 -0.064 0.000 2.841 90 T HA 0.677 5.028 4.350 0.000 0.000 0.283 90 T C -0.720 173.899 174.700 -0.135 0.000 1.000 90 T CA -0.834 61.209 62.100 -0.094 0.000 0.977 90 T CB 2.283 71.109 68.868 -0.070 0.000 0.979 90 T HN 0.572 nan 8.240 nan 0.000 0.446 91 E N 1.636 121.694 120.200 -0.237 0.000 2.339 91 E HA 0.427 4.778 4.350 0.000 0.000 0.262 91 E C -0.754 175.601 176.600 -0.407 0.000 0.934 91 E CA -1.031 55.175 56.400 -0.323 0.000 0.802 91 E CB 1.801 31.243 29.700 -0.430 0.000 1.275 91 E HN 0.591 nan 8.360 nan 0.000 0.427 92 N N 0.931 119.430 118.700 -0.335 0.000 2.425 92 N HA 0.336 5.076 4.740 0.000 0.000 0.268 92 N C -1.111 174.281 175.510 -0.196 0.000 0.991 92 N CA -0.082 52.850 53.050 -0.196 0.000 0.931 92 N CB 0.472 38.932 38.487 -0.044 0.000 1.130 92 N HN 0.232 nan 8.380 nan 0.000 0.493 93 F N 1.016 121.078 119.950 0.186 0.000 2.458 93 F HA 0.383 4.910 4.527 0.000 0.000 0.330 93 F C 0.783 176.755 175.800 0.288 0.000 1.082 93 F CA -0.943 57.213 58.000 0.260 0.000 0.995 93 F CB 1.512 40.750 39.000 0.397 0.000 1.170 93 F HN 0.289 nan 8.300 nan 0.000 0.478 94 N N 2.471 121.478 118.700 0.511 0.000 2.701 94 N HA 0.052 4.793 4.740 0.000 0.000 0.258 94 N C 0.085 175.838 175.510 0.405 0.000 1.262 94 N CA -0.732 52.562 53.050 0.407 0.000 0.780 94 N CB 0.417 39.053 38.487 0.247 0.000 1.380 94 N HN 0.665 nan 8.380 nan 0.000 0.548 95 W N 1.625 123.010 121.300 0.142 0.000 2.465 95 W HA 0.104 4.764 4.660 0.000 0.000 0.268 95 W C 0.402 176.966 176.519 0.074 0.000 1.242 95 W CA 0.125 57.535 57.345 0.108 0.000 1.248 95 W CB -1.479 28.044 29.460 0.106 0.000 1.118 95 W HN 0.409 nan 8.180 nan 0.000 0.587 96 c N 1.308 119.693 118.600 -0.358 0.000 2.576 96 c HA 0.172 4.742 4.570 0.000 0.000 0.267 96 c C 1.064 175.065 174.090 -0.149 0.000 1.364 96 c CA 0.431 56.505 56.329 -0.425 0.000 1.723 96 c CB -1.491 40.715 42.510 -0.506 0.000 1.778 96 c HN 0.126 nan 8.230 nan 0.000 0.572 97 K N 1.652 122.036 120.400 -0.026 0.000 3.029 97 K HA 0.161 4.481 4.320 0.000 0.000 0.169 97 K C -0.771 175.864 176.600 0.059 0.000 1.090 97 K CA 0.036 56.332 56.287 0.015 0.000 0.883 97 K CB 0.127 32.648 32.500 0.035 0.000 1.080 97 K HN 0.085 nan 8.250 nan 0.000 0.613 98 N N 1.429 120.157 118.700 0.047 0.000 2.531 98 N HA 0.064 4.804 4.740 0.000 0.000 0.268 98 N C -0.219 175.294 175.510 0.005 0.000 1.023 98 N CA -0.288 52.800 53.050 0.064 0.000 0.896 98 N CB 1.724 40.284 38.487 0.121 0.000 1.233 98 N HN 0.168 nan 8.380 nan 0.000 0.512 99 D N 3.106 123.498 120.400 -0.013 0.000 2.310 99 D HA -0.003 4.637 4.640 0.000 0.000 0.212 99 D C 1.733 177.965 176.300 -0.113 0.000 0.965 99 D CA 1.162 55.135 54.000 -0.045 0.000 0.879 99 D CB 0.299 41.081 40.800 -0.029 0.000 0.921 99 D HN 0.614 nan 8.370 nan 0.000 0.510 100 M N -0.716 118.771 119.600 -0.189 0.000 2.073 100 M HA -0.204 4.276 4.480 0.000 0.000 0.258 100 M C 2.185 178.315 176.300 -0.284 0.000 1.070 100 M CA 1.093 56.157 55.300 -0.393 0.000 1.103 100 M CB -0.478 31.822 32.600 -0.500 0.000 1.321 100 M HN -0.031 nan 8.290 nan 0.000 0.405 101 V N 0.338 120.162 119.914 -0.151 0.000 2.282 101 V HA -0.280 3.841 4.120 0.000 0.000 0.249 101 V C 2.237 178.239 176.094 -0.153 0.000 1.057 101 V CA 2.189 64.426 62.300 -0.105 0.000 1.032 101 V CB -0.719 31.118 31.823 0.023 0.000 0.645 101 V HN 0.407 nan 8.190 nan 0.000 0.447 102 E N -0.157 119.994 120.200 -0.083 0.000 2.031 102 E HA -0.214 4.137 4.350 0.000 0.000 0.193 102 E C 2.319 178.867 176.600 -0.087 0.000 0.994 102 E CA 1.504 57.885 56.400 -0.032 0.000 0.800 102 E CB -0.322 29.370 29.700 -0.013 0.000 0.752 102 E HN 0.692 nan 8.360 nan 0.000 0.447 103 Q N -0.458 119.271 119.800 -0.119 0.000 1.975 103 Q HA -0.158 4.182 4.340 0.000 0.000 0.205 103 Q C 2.154 178.027 176.000 -0.212 0.000 0.990 103 Q CA 1.507 57.242 55.803 -0.112 0.000 0.845 103 Q CB -0.272 28.448 28.738 -0.029 0.000 0.913 103 Q HN 0.261 nan 8.270 nan 0.000 0.420 104 M N 0.106 119.501 119.600 -0.342 0.000 2.252 104 M HA -0.244 4.236 4.480 0.000 0.000 0.257 104 M C 2.026 177.769 176.300 -0.928 0.000 1.077 104 M CA 1.661 56.562 55.300 -0.665 0.000 1.066 104 M CB -1.037 30.994 32.600 -0.948 0.000 1.380 104 M HN 0.428 nan 8.290 nan 0.000 0.412 105 H N -0.547 118.038 119.070 -0.808 0.000 2.399 105 H HA -0.061 4.495 4.556 0.000 0.000 0.300 105 H C 1.624 176.866 175.328 -0.144 0.000 1.048 105 H CA 1.176 56.913 56.048 -0.519 0.000 1.370 105 H CB 0.442 30.030 29.762 -0.291 0.000 1.428 105 H HN 0.318 nan 8.280 nan 0.000 0.534 106 E N 0.863 120.883 120.200 -0.299 0.000 2.015 106 E HA -0.087 4.263 4.350 0.000 0.000 0.191 106 E C 0.622 177.134 176.600 -0.147 0.000 0.991 106 E CA 1.225 57.473 56.400 -0.253 0.000 0.802 106 E CB 0.108 29.719 29.700 -0.149 0.000 0.759 106 E HN 0.517 nan 8.360 nan 0.000 0.447 107 D N -0.343 119.986 120.400 -0.119 0.000 2.348 107 D HA 0.126 4.767 4.640 0.000 0.000 0.272 107 D C 0.388 176.660 176.300 -0.046 0.000 1.237 107 D CA -0.164 53.795 54.000 -0.068 0.000 1.042 107 D CB 0.343 41.103 40.800 -0.066 0.000 1.117 107 D HN -0.070 nan 8.370 nan 0.000 0.548 108 I N -0.508 120.057 120.570 -0.009 0.000 7.870 108 I HA -0.240 3.930 4.170 0.000 0.000 0.126 108 I C -0.512 175.678 176.117 0.123 0.000 1.847 108 I CA -0.150 61.181 61.300 0.052 0.000 2.037 108 I CB -1.650 36.383 38.000 0.055 0.000 3.728 108 I HN 0.443 nan 8.210 nan 0.000 0.169 109 c N 4.770 123.430 118.600 0.100 0.000 2.803 109 c HA 0.572 5.142 4.570 0.000 0.000 0.389 109 c C 1.983 176.098 174.090 0.042 0.000 1.433 109 c CA -0.058 56.345 56.329 0.124 0.000 1.714 109 c CB 1.741 44.348 42.510 0.162 0.000 2.106 109 c HN 0.913 nan 8.230 nan 0.000 0.480 110 S N -0.575 115.108 115.700 -0.029 0.000 2.356 110 S HA 0.213 4.683 4.470 0.000 0.000 0.219 110 S C 0.056 174.336 174.600 -0.532 0.000 1.036 110 S CA 0.497 58.474 58.200 -0.372 0.000 0.965 110 S CB -0.437 62.349 63.200 -0.689 0.000 0.864 110 S HN 0.619 nan 8.310 nan 0.000 0.471 111 L N 0.822 121.853 121.223 -0.320 0.000 2.619 111 L HA -0.173 4.167 4.340 0.000 0.000 0.533 111 L C -1.142 175.570 176.870 -0.263 0.000 1.002 111 L CA 0.077 54.865 54.840 -0.087 0.000 1.266 111 L CB -0.650 41.336 42.059 -0.122 0.000 1.549 111 L HN 0.477 nan 8.230 nan 0.000 0.778 112 W N 2.971 124.421 121.300 0.250 0.000 2.736 112 W HA 0.515 5.175 4.660 0.000 0.000 0.335 112 W C 0.024 176.709 176.519 0.277 0.000 1.059 112 W CA -0.318 57.177 57.345 0.249 0.000 1.226 112 W CB 2.074 31.716 29.460 0.303 0.000 1.416 112 W HN 0.445 nan 8.180 nan 0.000 0.505 113 D N 1.005 121.605 120.400 0.333 0.000 2.340 113 D HA 0.201 4.841 4.640 0.000 0.000 0.240 113 D C -0.306 175.910 176.300 -0.139 0.000 1.001 113 D CA -0.322 53.750 54.000 0.119 0.000 0.888 113 D CB 1.626 42.450 40.800 0.040 0.000 1.310 113 D HN 0.192 nan 8.370 nan 0.000 0.474 114 Q N 0.613 120.152 119.800 -0.434 0.000 2.395 114 Q HA 0.347 4.687 4.340 0.000 0.000 0.271 114 Q C -0.697 175.137 176.000 -0.277 0.000 1.026 114 Q CA 0.218 55.635 55.803 -0.644 0.000 0.900 114 Q CB 1.033 29.437 28.738 -0.558 0.000 1.266 114 Q HN 0.174 nan 8.270 nan 0.000 0.430 115 S N 2.182 117.749 115.700 -0.222 0.000 2.614 115 S HA 0.468 4.938 4.470 0.000 0.000 0.288 115 S C -1.140 173.413 174.600 -0.079 0.000 1.137 115 S CA -0.667 57.471 58.200 -0.104 0.000 0.992 115 S CB 0.651 63.820 63.200 -0.051 0.000 1.026 115 S HN 0.472 nan 8.310 nan 0.000 0.486 116 L N 5.094 126.283 121.223 -0.057 0.000 2.272 116 L HA 0.542 4.882 4.340 0.000 0.000 0.289 116 L C -0.087 176.769 176.870 -0.024 0.000 1.032 116 L CA -0.412 54.405 54.840 -0.039 0.000 0.810 116 L CB 1.322 43.359 42.059 -0.036 0.000 1.205 116 L HN 0.558 nan 8.230 nan 0.000 0.422 117 K N 4.474 124.864 120.400 -0.016 0.000 2.533 117 K HA 0.366 4.686 4.320 0.000 0.000 0.207 117 K C -2.485 174.111 176.600 -0.006 0.000 1.052 117 K CA -1.600 54.682 56.287 -0.009 0.000 1.030 117 K CB 0.793 33.290 32.500 -0.005 0.000 1.522 117 K HN 0.280 nan 8.250 nan 0.000 0.543 118 P HA 0.203 nan 4.420 nan 0.000 0.278 118 P C -0.078 177.221 177.300 -0.003 0.000 1.238 118 P CA -0.636 62.461 63.100 -0.005 0.000 0.794 118 P CB 0.706 32.402 31.700 -0.007 0.000 0.955 119 c N 0.630 119.229 118.600 -0.002 0.000 3.256 119 c HA 0.912 5.482 4.570 0.000 0.000 0.361 119 c C -0.152 173.937 174.090 -0.000 0.000 1.665 119 c CA -0.863 55.465 56.329 -0.001 0.000 1.445 119 c CB 1.288 43.798 42.510 0.001 0.000 2.144 119 c HN 0.551 nan 8.230 nan 0.000 0.448 120 V N -1.421 118.493 119.914 0.000 0.000 2.962 120 V HA 0.728 4.848 4.120 0.000 0.000 0.313 120 V C -1.120 174.975 176.094 0.001 0.000 1.099 120 V CA -0.618 61.683 62.300 0.001 0.000 0.971 120 V CB 1.684 33.507 31.823 0.000 0.000 1.028 120 V HN 1.005 nan 8.190 nan 0.000 0.430 121 K N 4.115 124.516 120.400 0.002 0.000 2.394 121 K HA 0.658 4.978 4.320 0.000 0.000 0.260 121 K C -0.975 175.626 176.600 0.002 0.000 0.967 121 K CA -0.541 55.748 56.287 0.002 0.000 0.855 121 K CB 2.037 34.539 32.500 0.003 0.000 1.101 121 K HN 0.894 nan 8.250 nan 0.000 0.433 122 L N 1.562 122.786 121.223 0.002 0.000 2.295 122 L HA 0.521 4.861 4.340 0.000 0.000 0.281 122 L C -0.462 176.409 176.870 0.002 0.000 1.018 122 L CA -0.281 54.560 54.840 0.002 0.000 0.841 122 L CB 1.542 43.602 42.059 0.001 0.000 1.218 122 L HN 0.574 nan 8.230 nan 0.000 0.424 123 T N 2.096 116.652 114.554 0.002 0.000 2.823 123 T HA 0.721 5.071 4.350 0.000 0.000 0.279 123 T C -2.637 172.065 174.700 0.002 0.000 0.998 123 T CA -2.040 60.062 62.100 0.002 0.000 0.994 123 T CB 1.694 70.564 68.868 0.003 0.000 0.960 123 T HN 0.501 nan 8.240 nan 0.000 0.448 124 P HA 0.242 nan 4.420 nan 0.000 0.271 124 P C -0.890 176.411 177.300 0.002 0.000 1.218 124 P CA -0.741 62.360 63.100 0.002 0.000 0.780 124 P CB 0.437 32.138 31.700 0.002 0.000 0.901 125 L N 3.699 124.924 121.223 0.002 0.000 2.337 125 L HA 0.328 4.668 4.340 0.000 0.000 0.269 125 L C -1.248 175.623 176.870 0.002 0.000 1.018 125 L CA -0.425 54.416 54.840 0.002 0.000 0.876 125 L CB 0.118 42.178 42.059 0.002 0.000 1.236 125 L HN 0.425 nan 8.230 nan 0.000 0.436 126 c N 3.389 121.990 118.600 0.002 0.000 2.376 126 c HA 0.653 5.223 4.570 0.000 0.000 0.335 126 c C 0.669 174.760 174.090 0.002 0.000 1.229 126 c CA -0.671 55.659 56.329 0.002 0.000 1.867 126 c CB 2.094 44.605 42.510 0.002 0.000 2.319 126 c HN 0.616 nan 8.230 nan 0.000 0.515 196 c N 2.541 121.141 118.600 0.001 0.000 2.534 196 c HA 0.423 4.993 4.570 0.000 0.000 0.435 196 c C 1.596 175.687 174.090 0.001 0.000 1.329 196 c CA -0.394 55.935 56.329 0.001 0.000 1.675 196 c CB -2.334 40.177 42.510 0.002 0.000 2.384 196 c HN 0.757 nan 8.230 nan 0.000 0.605 197 N N 1.329 120.029 118.700 0.001 0.000 2.043 197 N HA -0.090 4.650 4.740 0.000 0.000 0.193 197 N C 1.439 176.950 175.510 0.001 0.000 1.037 197 N CA 1.993 55.044 53.050 0.001 0.000 0.851 197 N CB -0.283 38.204 38.487 0.001 0.000 1.027 197 N HN 0.776 nan 8.380 nan 0.000 0.422 198 T N -3.610 110.945 114.554 0.001 0.000 2.898 198 T HA 0.621 4.971 4.350 0.000 0.000 0.283 198 T C -0.044 174.657 174.700 0.001 0.000 1.059 198 T CA -0.675 61.426 62.100 0.001 0.000 0.958 198 T CB 1.453 70.322 68.868 0.001 0.000 1.594 198 T HN 0.062 nan 8.240 nan 0.000 0.598 199 S N -0.772 114.929 115.700 0.001 0.000 2.639 199 S HA 0.395 4.866 4.470 0.000 0.000 0.319 199 S C -1.832 172.768 174.600 0.001 0.000 0.991 199 S CA -0.861 57.340 58.200 0.001 0.000 0.858 199 S CB 0.740 63.941 63.200 0.001 0.000 1.068 199 S HN 0.810 nan 8.310 nan 0.000 0.458 200 V N 6.186 126.101 119.914 0.002 0.000 2.311 200 V HA 0.479 4.599 4.120 0.000 0.000 0.275 200 V C 0.381 176.476 176.094 0.002 0.000 1.022 200 V CA -0.755 61.546 62.300 0.002 0.000 0.830 200 V CB 1.121 32.946 31.823 0.002 0.000 1.012 200 V HN 0.824 nan 8.190 nan 0.000 0.452 201 I N 5.944 126.515 120.570 0.001 0.000 2.371 201 I HA 0.545 4.715 4.170 0.000 0.000 0.290 201 I C 0.175 176.292 176.117 0.001 0.000 1.028 201 I CA 0.624 61.924 61.300 0.001 0.000 1.345 201 I CB 1.497 39.497 38.000 0.001 0.000 1.407 201 I HN 0.809 nan 8.210 nan 0.000 0.501 202 T N 6.098 120.653 114.554 0.001 0.000 2.909 202 T HA 0.448 4.798 4.350 0.000 0.000 0.299 202 T C -0.606 174.094 174.700 0.001 0.000 1.073 202 T CA -0.857 61.244 62.100 0.001 0.000 0.999 202 T CB 1.927 70.796 68.868 0.002 0.000 1.098 202 T HN 0.673 nan 8.240 nan 0.000 0.477 203 Q N 1.934 121.735 119.800 0.001 0.000 2.256 203 Q HA 0.635 4.975 4.340 0.000 0.000 0.254 203 Q C -0.842 175.158 176.000 0.001 0.000 0.916 203 Q CA -1.164 54.639 55.803 0.000 0.000 0.932 203 Q CB 1.596 30.334 28.738 -0.001 0.000 1.207 203 Q HN 1.144 nan 8.270 nan 0.000 0.426 204 A N 2.696 125.517 122.820 0.001 0.000 3.068 204 A HA 0.391 4.711 4.320 0.000 0.000 0.269 204 A C -0.914 176.672 177.584 0.002 0.000 1.259 204 A CA -0.642 51.396 52.037 0.002 0.000 0.938 204 A CB -0.264 18.738 19.000 0.003 0.000 1.433 204 A HN 0.679 nan 8.150 nan 0.000 0.664 205 c N 1.794 120.395 118.600 0.001 0.000 3.359 205 c HA 0.335 4.906 4.570 0.000 0.000 0.194 205 c C -0.956 173.134 174.090 0.000 0.000 1.659 205 c CA -0.659 55.671 56.329 0.002 0.000 1.338 205 c CB -0.194 42.316 42.510 0.001 0.000 2.109 205 c HN 0.673 nan 8.230 nan 0.000 0.518 206 P HA -0.104 nan 4.420 nan 0.000 0.216 206 P C 0.317 177.617 177.300 0.000 0.000 1.153 206 P CA 0.908 64.008 63.100 -0.000 0.000 0.848 206 P CB 0.024 31.725 31.700 0.002 0.000 0.787 207 K N 0.527 120.930 120.400 0.005 0.000 2.427 207 K HA -0.064 4.257 4.320 0.000 0.000 0.262 207 K C -0.072 176.530 176.600 0.004 0.000 1.094 207 K CA 0.333 56.626 56.287 0.010 0.000 1.184 207 K CB -0.249 32.259 32.500 0.013 0.000 0.796 207 K HN -0.029 nan 8.250 nan 0.000 0.491 208 V N 4.055 123.973 119.914 0.007 0.000 2.406 208 V HA 0.154 4.274 4.120 0.000 0.000 0.272 208 V C -0.061 176.044 176.094 0.018 0.000 1.043 208 V CA -0.142 62.148 62.300 -0.017 0.000 0.915 208 V CB 1.196 32.998 31.823 -0.035 0.000 0.988 208 V HN 0.853 nan 8.190 nan 0.000 0.466 209 S N 6.419 122.117 115.700 -0.004 0.000 2.607 209 S HA 0.710 5.181 4.470 0.000 0.000 0.303 209 S C -0.824 173.796 174.600 0.033 0.000 1.086 209 S CA -0.668 57.578 58.200 0.076 0.000 0.995 209 S CB 1.618 64.856 63.200 0.064 0.000 1.084 209 S HN 0.470 nan 8.310 nan 0.000 0.507 210 F N 1.156 121.120 119.950 0.023 0.000 2.408 210 F HA 0.483 5.010 4.527 0.000 0.000 0.344 210 F C 0.936 176.852 175.800 0.194 0.000 1.112 210 F CA -0.370 57.685 58.000 0.092 0.000 1.096 210 F CB 1.276 40.292 39.000 0.027 0.000 1.129 210 F HN 0.509 nan 8.300 nan 0.000 0.486 211 E N 3.833 124.239 120.200 0.344 0.000 2.227 211 E HA 0.365 4.716 4.350 0.000 0.000 0.268 211 E C -2.632 174.117 176.600 0.247 0.000 0.907 211 E CA -2.343 54.222 56.400 0.276 0.000 0.786 211 E CB 1.761 31.527 29.700 0.111 0.000 1.191 211 E HN 0.184 nan 8.360 nan 0.000 0.411 212 P HA 0.195 nan 4.420 nan 0.000 0.271 212 P C -0.300 176.910 177.300 -0.150 0.000 1.216 212 P CA 0.064 63.015 63.100 -0.247 0.000 0.776 212 P CB 0.454 32.023 31.700 -0.217 0.000 0.881 213 I N 5.279 125.729 120.570 -0.201 0.000 2.331 213 I HA 0.254 4.424 4.170 0.000 0.000 0.292 213 I C -2.015 174.037 176.117 -0.110 0.000 0.998 213 I CA -2.556 58.682 61.300 -0.102 0.000 1.267 213 I CB 1.161 39.117 38.000 -0.072 0.000 1.386 213 I HN 0.147 nan 8.210 nan 0.000 0.476 214 P HA 0.128 nan 4.420 nan 0.000 0.267 214 P C -0.840 176.396 177.300 -0.105 0.000 1.205 214 P CA 0.172 63.212 63.100 -0.101 0.000 0.765 214 P CB 0.310 31.977 31.700 -0.054 0.000 0.828 215 I N 3.707 124.182 120.570 -0.158 0.000 2.404 215 I HA 0.305 4.476 4.170 0.000 0.000 0.293 215 I C 0.540 176.524 176.117 -0.222 0.000 0.992 215 I CA -0.454 60.792 61.300 -0.091 0.000 1.149 215 I CB 1.118 39.115 38.000 -0.006 0.000 1.315 215 I HN 0.351 nan 8.210 nan 0.000 0.446 216 H N 5.082 124.136 119.070 -0.026 0.000 2.466 216 H HA 0.231 4.787 4.556 0.000 0.000 0.338 216 H C -1.235 174.065 175.328 -0.046 0.000 1.091 216 H CA -0.524 55.496 56.048 -0.047 0.000 1.207 216 H CB 2.453 32.184 29.762 -0.050 0.000 1.466 216 H HN 0.506 nan 8.280 nan 0.000 0.493 217 Y N 2.755 123.006 120.300 -0.081 0.000 2.365 217 Y HA 0.184 4.734 4.550 0.000 0.000 0.340 217 Y C -0.525 175.316 175.900 -0.099 0.000 1.016 217 Y CA -0.635 57.396 58.100 -0.114 0.000 1.196 217 Y CB 0.322 38.672 38.460 -0.182 0.000 1.167 217 Y HN 0.553 nan 8.280 nan 0.000 0.509 218 c N 6.052 124.398 118.600 -0.423 0.000 2.329 218 c HA 0.753 5.323 4.570 0.000 0.000 0.329 218 c C 0.393 174.285 174.090 -0.331 0.000 1.275 218 c CA -1.088 55.093 56.329 -0.245 0.000 1.726 218 c CB -0.079 42.323 42.510 -0.180 0.000 2.291 218 c HN 1.023 nan 8.230 nan 0.000 0.514 219 A N 5.231 128.028 122.820 -0.038 0.000 2.520 219 A HA 0.442 4.762 4.320 0.000 0.000 0.245 219 A C -1.855 175.721 177.584 -0.015 0.000 1.072 219 A CA -0.327 51.745 52.037 0.059 0.000 0.761 219 A CB -0.476 18.617 19.000 0.156 0.000 1.004 219 A HN 0.752 nan 8.150 nan 0.000 0.499 220 P HA 0.228 nan 4.420 nan 0.000 0.278 220 P C -0.074 177.292 177.300 0.110 0.000 1.270 220 P CA 0.166 63.239 63.100 -0.045 0.000 0.800 220 P CB 0.338 31.923 31.700 -0.191 0.000 1.142 221 A N 0.416 123.302 122.820 0.111 0.000 2.444 221 A HA 0.462 4.782 4.320 0.000 0.000 0.273 221 A C 1.259 178.999 177.584 0.261 0.000 1.136 221 A CA 0.579 52.699 52.037 0.138 0.000 0.799 221 A CB -1.525 17.522 19.000 0.078 0.000 1.081 221 A HN 0.830 nan 8.150 nan 0.000 0.509 222 G N 1.161 110.066 108.800 0.175 0.000 2.176 222 G HA2 -0.189 3.771 3.960 0.000 0.000 0.232 222 G HA3 -0.189 3.771 3.960 0.000 0.000 0.232 222 G C -0.147 174.679 174.900 -0.123 0.000 0.986 222 G CA 0.287 45.407 45.100 0.033 0.000 0.643 222 G HN 0.672 nan 8.290 nan 0.000 0.522 223 F N 0.389 120.353 119.950 0.022 0.000 2.639 223 F HA 0.916 5.443 4.527 0.000 0.000 0.339 223 F C 0.514 176.341 175.800 0.045 0.000 1.071 223 F CA -0.441 57.582 58.000 0.039 0.000 0.994 223 F CB 1.886 40.918 39.000 0.053 0.000 1.341 223 F HN 0.447 nan 8.300 nan 0.000 0.498 224 A N 0.308 123.285 122.820 0.262 0.000 2.564 224 A HA 0.873 5.193 4.320 0.000 0.000 0.288 224 A C -1.627 176.078 177.584 0.202 0.000 1.164 224 A CA -0.677 51.469 52.037 0.182 0.000 0.712 224 A CB 1.308 20.378 19.000 0.117 0.000 1.303 224 A HN 0.599 nan 8.150 nan 0.000 0.418 225 I N 0.740 121.419 120.570 0.181 0.000 2.378 225 I HA 0.353 4.523 4.170 0.000 0.000 0.291 225 I C -0.929 175.325 176.117 0.229 0.000 0.992 225 I CA -0.332 61.094 61.300 0.211 0.000 1.154 225 I CB 1.572 39.688 38.000 0.192 0.000 1.315 225 I HN 0.432 nan 8.210 nan 0.000 0.448 226 L N 6.665 128.052 121.223 0.274 0.000 2.289 226 L HA 0.456 4.796 4.340 0.000 0.000 0.285 226 L C -0.050 177.008 176.870 0.313 0.000 1.049 226 L CA -0.375 54.642 54.840 0.296 0.000 0.804 226 L CB 1.134 43.389 42.059 0.326 0.000 1.195 226 L HN 0.527 nan 8.230 nan 0.000 0.428 227 K N 3.229 123.747 120.400 0.197 0.000 2.413 227 K HA 0.334 4.654 4.320 0.000 0.000 0.257 227 K C -1.143 175.413 176.600 -0.074 0.000 0.946 227 K CA -0.600 55.669 56.287 -0.031 0.000 0.823 227 K CB 1.703 34.212 32.500 0.015 0.000 1.109 227 K HN 0.623 nan 8.250 nan 0.000 0.427 228 c N 4.329 122.742 118.600 -0.311 0.000 2.585 228 c HA 0.265 4.836 4.570 0.000 0.000 0.406 228 c C 0.816 174.786 174.090 -0.200 0.000 1.312 228 c CA -0.335 55.836 56.329 -0.264 0.000 1.924 228 c CB -0.663 41.498 42.510 -0.581 0.000 2.578 228 c HN 0.923 nan 8.230 nan 0.000 0.580 229 N N 2.599 121.229 118.700 -0.116 0.000 2.220 229 N HA 0.054 4.794 4.740 0.000 0.000 0.195 229 N C 0.081 175.562 175.510 -0.048 0.000 1.123 229 N CA 0.182 53.188 53.050 -0.073 0.000 0.874 229 N CB -0.301 38.160 38.487 -0.042 0.000 0.995 229 N HN 0.708 nan 8.380 nan 0.000 0.498 230 N N 2.273 120.937 118.700 -0.060 0.000 2.418 230 N HA -0.057 4.684 4.740 0.000 0.000 0.277 230 N C 0.717 176.255 175.510 0.046 0.000 1.317 230 N CA 0.409 53.454 53.050 -0.008 0.000 0.922 230 N CB 0.378 38.857 38.487 -0.014 0.000 1.194 230 N HN 0.121 nan 8.380 nan 0.000 0.485 231 K N 1.485 121.902 120.400 0.030 0.000 2.360 231 K HA -0.049 4.271 4.320 0.000 0.000 0.201 231 K C 0.059 176.683 176.600 0.040 0.000 1.046 231 K CA 1.000 57.306 56.287 0.031 0.000 0.945 231 K CB 0.189 32.693 32.500 0.007 0.000 0.750 231 K HN 0.463 nan 8.250 nan 0.000 0.464 232 T N 0.901 115.488 114.554 0.054 0.000 3.516 232 T HA 0.144 4.494 4.350 0.000 0.000 0.245 232 T C -0.744 174.000 174.700 0.073 0.000 1.077 232 T CA -0.547 61.567 62.100 0.024 0.000 1.222 232 T CB -0.272 68.592 68.868 -0.006 0.000 1.045 232 T HN -0.001 nan 8.240 nan 0.000 0.585 233 F N 3.903 123.814 119.950 -0.064 0.000 2.410 233 F HA 0.363 4.891 4.527 0.000 0.000 0.334 233 F C 1.006 176.699 175.800 -0.179 0.000 1.134 233 F CA -1.246 56.715 58.000 -0.066 0.000 1.227 233 F CB 0.911 39.906 39.000 -0.008 0.000 1.194 233 F HN 0.205 nan 8.300 nan 0.000 0.571 234 N N 1.534 119.677 118.700 -0.928 0.000 2.205 234 N HA 0.292 5.032 4.740 0.000 0.000 0.201 234 N C 0.982 175.778 175.510 -1.190 0.000 1.128 234 N CA 0.464 53.023 53.050 -0.818 0.000 0.867 234 N CB 0.714 38.985 38.487 -0.360 0.000 0.996 234 N HN 0.872 nan 8.380 nan 0.000 0.503 235 G N -0.424 107.185 108.800 -1.985 0.000 3.400 235 G HA2 -0.256 3.705 3.960 0.000 0.000 0.209 235 G HA3 -0.256 3.705 3.960 0.000 0.000 0.209 235 G C -0.019 174.671 174.900 -0.350 0.000 1.411 235 G CA 0.150 44.421 45.100 -1.381 0.000 0.917 235 G HN 0.435 nan 8.290 nan 0.000 0.570 236 T N 1.853 116.370 114.554 -0.061 0.000 2.882 236 T HA 0.683 5.033 4.350 0.000 0.000 0.287 236 T C 0.577 175.432 174.700 0.259 0.000 0.992 236 T CA 1.311 63.560 62.100 0.249 0.000 1.076 236 T CB 1.153 70.173 68.868 0.253 0.000 0.961 236 T HN 2.260 nan 8.240 nan 0.000 0.490 237 G N 3.502 112.516 108.800 0.358 0.000 2.408 237 G HA2 0.106 4.066 3.960 0.000 0.000 0.682 237 G HA3 0.106 4.066 3.960 0.000 0.000 0.682 237 G C -3.490 171.607 174.900 0.329 0.000 1.303 237 G CA -1.287 44.005 45.100 0.319 0.000 0.966 237 G HN 0.600 nan 8.290 nan 0.000 0.560 238 P HA 0.519 nan 4.420 nan 0.000 0.296 238 P C -0.435 176.870 177.300 0.010 0.000 1.306 238 P CA -0.491 62.631 63.100 0.037 0.000 0.818 238 P CB 1.688 33.397 31.700 0.014 0.000 0.969 239 c N 3.370 121.893 118.600 -0.129 0.000 2.307 239 c HA 0.302 4.872 4.570 0.000 0.000 0.340 239 c C 1.926 175.954 174.090 -0.104 0.000 1.275 239 c CA 0.176 56.406 56.329 -0.165 0.000 1.811 239 c CB -0.503 41.895 42.510 -0.185 0.000 2.372 239 c HN 0.753 nan 8.230 nan 0.000 0.531 240 T N 0.824 115.339 114.554 -0.066 0.000 3.100 240 T HA 0.066 4.416 4.350 0.000 0.000 0.253 240 T C 0.341 175.017 174.700 -0.040 0.000 1.118 240 T CA 0.303 62.377 62.100 -0.044 0.000 1.058 240 T CB -0.289 68.566 68.868 -0.022 0.000 0.953 240 T HN 0.652 nan 8.240 nan 0.000 0.515 241 N N 0.850 119.521 118.700 -0.048 0.000 2.491 241 N HA 0.460 5.200 4.740 0.000 0.000 0.274 241 N C -1.862 173.630 175.510 -0.031 0.000 1.023 241 N CA -0.506 52.523 53.050 -0.036 0.000 0.902 241 N CB 1.991 40.459 38.487 -0.032 0.000 1.267 241 N HN 0.041 nan 8.380 nan 0.000 0.503 242 V N 1.738 121.644 119.914 -0.013 0.000 2.789 242 V HA 0.612 4.732 4.120 0.000 0.000 0.311 242 V C -0.271 175.837 176.094 0.024 0.000 1.073 242 V CA -0.585 61.725 62.300 0.016 0.000 0.921 242 V CB 2.094 33.924 31.823 0.012 0.000 1.009 242 V HN 0.705 nan 8.190 nan 0.000 0.426 243 S N 1.454 117.181 115.700 0.044 0.000 2.648 243 S HA 0.706 5.177 4.470 0.000 0.000 0.305 243 S C -0.473 174.174 174.600 0.079 0.000 1.094 243 S CA -0.658 57.572 58.200 0.050 0.000 0.983 243 S CB 2.063 65.290 63.200 0.045 0.000 1.101 243 S HN 0.722 nan 8.310 nan 0.000 0.514 244 T N 2.093 116.691 114.554 0.073 0.000 2.815 244 T HA 0.604 4.954 4.350 0.000 0.000 0.289 244 T C -0.521 174.232 174.700 0.089 0.000 1.000 244 T CA -0.501 61.652 62.100 0.088 0.000 0.958 244 T CB 0.660 69.568 68.868 0.066 0.000 0.944 244 T HN 0.527 nan 8.240 nan 0.000 0.442 245 V N 2.600 122.585 119.914 0.118 0.000 2.960 245 V HA 0.533 4.654 4.120 0.000 0.000 0.315 245 V C 0.608 176.759 176.094 0.096 0.000 1.087 245 V CA -1.025 61.339 62.300 0.107 0.000 0.982 245 V CB 1.957 33.865 31.823 0.142 0.000 1.039 245 V HN 0.739 nan 8.190 nan 0.000 0.437 246 Q N 0.284 120.122 119.800 0.063 0.000 2.354 246 Q HA 0.278 4.618 4.340 0.000 0.000 0.203 246 Q C 0.209 176.231 176.000 0.036 0.000 0.933 246 Q CA 0.777 56.608 55.803 0.047 0.000 0.901 246 Q CB 0.519 29.268 28.738 0.018 0.000 1.007 246 Q HN 0.797 nan 8.270 nan 0.000 0.495 247 c N 0.518 119.138 118.600 0.033 0.000 2.797 247 c HA 0.442 5.013 4.570 0.000 0.000 0.306 247 c C 0.583 174.679 174.090 0.009 0.000 1.207 247 c CA -1.074 55.266 56.329 0.019 0.000 1.507 247 c CB 1.572 44.071 42.510 -0.018 0.000 2.028 247 c HN 0.478 nan 8.230 nan 0.000 0.475 248 T N -0.022 114.464 114.554 -0.113 0.000 2.698 248 T HA 0.250 4.600 4.350 0.000 0.000 0.295 248 T C 0.551 175.252 174.700 0.001 0.000 1.007 248 T CA 0.049 61.896 62.100 -0.422 0.000 0.980 248 T CB 0.216 68.601 68.868 -0.804 0.000 1.036 248 T HN 0.867 nan 8.240 nan 0.000 0.526 249 H N -0.671 118.457 119.070 0.096 0.000 2.307 249 H HA 0.343 4.900 4.556 0.000 0.000 0.349 249 H C 0.748 176.020 175.328 -0.092 0.000 1.754 249 H CA -0.537 55.608 56.048 0.163 0.000 1.431 249 H CB -0.349 29.514 29.762 0.168 0.000 1.666 249 H HN 0.868 nan 8.280 nan 0.000 0.582 250 G N 0.741 109.568 108.800 0.045 0.000 2.394 250 G HA2 0.412 4.372 3.960 0.000 0.000 0.298 250 G HA3 0.412 4.372 3.960 0.000 0.000 0.298 250 G C -0.214 174.637 174.900 -0.082 0.000 1.087 250 G CA -0.583 44.300 45.100 -0.363 0.000 1.035 250 G HN 0.519 nan 8.290 nan 0.000 0.420 251 I N 2.386 122.828 120.570 -0.213 0.000 2.336 251 I HA 0.285 4.455 4.170 0.000 0.000 0.292 251 I C 0.337 176.402 176.117 -0.086 0.000 0.991 251 I CA -0.628 60.630 61.300 -0.071 0.000 1.227 251 I CB 1.607 39.588 38.000 -0.031 0.000 1.366 251 I HN 0.318 nan 8.210 nan 0.000 0.466 252 R N 6.842 127.289 120.500 -0.088 0.000 2.369 252 R HA 0.327 4.667 4.340 0.000 0.000 0.310 252 R C -2.444 173.758 176.300 -0.163 0.000 1.141 252 R CA -1.728 54.296 56.100 -0.125 0.000 1.116 252 R CB 0.201 30.436 30.300 -0.109 0.000 1.135 252 R HN 0.294 nan 8.270 nan 0.000 0.529 253 P HA -0.067 nan 4.420 nan 0.000 0.262 253 P C -0.759 176.431 177.300 -0.184 0.000 1.182 253 P CA 0.184 63.156 63.100 -0.213 0.000 0.761 253 P CB 0.711 32.398 31.700 -0.022 0.000 0.795 254 V N 5.069 124.858 119.914 -0.208 0.000 2.509 254 V HA 0.089 4.209 4.120 0.000 0.000 0.289 254 V C -0.015 175.998 176.094 -0.136 0.000 1.026 254 V CA -0.750 61.470 62.300 -0.134 0.000 0.872 254 V CB 2.113 33.864 31.823 -0.120 0.000 1.017 254 V HN 0.220 nan 8.190 nan 0.000 0.436 255 V N 4.815 124.672 119.914 -0.095 0.000 2.585 255 V HA 0.618 4.738 4.120 0.000 0.000 0.296 255 V C 0.517 176.484 176.094 -0.211 0.000 1.035 255 V CA 0.702 62.937 62.300 -0.109 0.000 1.084 255 V CB 1.019 32.814 31.823 -0.046 0.000 0.953 255 V HN 1.140 nan 8.190 nan 0.000 0.483 256 S N 2.987 118.597 115.700 -0.149 0.000 2.633 256 S HA 0.634 5.104 4.470 0.000 0.000 0.271 256 S C -0.842 173.847 174.600 0.148 0.000 1.112 256 S CA -0.340 57.827 58.200 -0.055 0.000 0.828 256 S CB 1.706 64.937 63.200 0.052 0.000 1.086 256 S HN 1.247 nan 8.310 nan 0.000 0.461 257 S N 0.496 116.376 115.700 0.300 0.000 2.599 257 S HA 0.777 5.247 4.470 0.000 0.000 0.294 257 S C 0.307 175.082 174.600 0.291 0.000 1.094 257 S CA -0.153 58.230 58.200 0.304 0.000 0.931 257 S CB 1.509 64.935 63.200 0.377 0.000 1.093 257 S HN 1.162 nan 8.310 nan 0.000 0.488 258 Q N -0.954 118.955 119.800 0.181 0.000 2.645 258 Q HA -0.234 4.106 4.340 0.000 0.000 0.188 258 Q C -0.598 175.479 176.000 0.128 0.000 2.862 258 Q CA 1.814 57.693 55.803 0.127 0.000 0.227 258 Q CB -1.327 27.495 28.738 0.141 0.000 0.207 258 Q HN 0.761 nan 8.270 nan 0.000 0.418 259 L N 1.712 122.984 121.223 0.081 0.000 2.322 259 L HA 0.529 4.869 4.340 0.000 0.000 0.281 259 L C -0.364 176.511 176.870 0.007 0.000 1.014 259 L CA -0.591 54.229 54.840 -0.033 0.000 0.815 259 L CB 1.236 43.057 42.059 -0.395 0.000 1.247 259 L HN 0.107 nan 8.230 nan 0.000 0.421 260 L N 4.940 126.164 121.223 0.001 0.000 2.260 260 L HA 0.455 4.796 4.340 0.000 0.000 0.289 260 L C -0.305 176.532 176.870 -0.055 0.000 1.057 260 L CA -0.200 54.629 54.840 -0.020 0.000 0.811 260 L CB 0.856 42.913 42.059 -0.004 0.000 1.184 260 L HN 0.422 nan 8.230 nan 0.000 0.429 261 L N 3.580 124.752 121.223 -0.085 0.000 2.334 261 L HA 0.448 4.788 4.340 0.000 0.000 0.272 261 L C 0.306 177.118 176.870 -0.097 0.000 1.020 261 L CA -1.003 53.767 54.840 -0.116 0.000 0.812 261 L CB 1.034 42.982 42.059 -0.184 0.000 1.264 261 L HN 0.581 nan 8.230 nan 0.000 0.439 262 N N 1.415 120.063 118.700 -0.087 0.000 2.686 262 N HA -0.159 4.581 4.740 0.000 0.000 0.261 262 N C -0.209 175.269 175.510 -0.054 0.000 1.001 262 N CA 0.971 53.981 53.050 -0.066 0.000 0.764 262 N CB -0.793 37.653 38.487 -0.068 0.000 0.898 262 N HN 0.961 nan 8.380 nan 0.000 0.544 263 G N -1.645 107.131 108.800 -0.041 0.000 3.108 263 G HA2 0.646 4.606 3.960 0.000 0.000 0.268 263 G HA3 0.646 4.606 3.960 0.000 0.000 0.268 263 G C -0.711 174.181 174.900 -0.013 0.000 1.361 263 G CA -0.464 44.624 45.100 -0.019 0.000 1.047 263 G HN 0.120 nan 8.290 nan 0.000 0.540 264 S N 0.064 115.765 115.700 0.001 0.000 2.452 264 S HA 0.385 4.855 4.470 0.000 0.000 0.284 264 S C 0.283 174.874 174.600 -0.016 0.000 1.171 264 S CA -0.401 57.778 58.200 -0.036 0.000 1.064 264 S CB 0.667 63.810 63.200 -0.095 0.000 0.967 264 S HN 0.364 nan 8.310 nan 0.000 0.484 265 L N 2.676 123.882 121.223 -0.029 0.000 2.439 265 L HA 0.366 4.706 4.340 0.000 0.000 0.269 265 L C 0.921 177.777 176.870 -0.023 0.000 1.179 265 L CA -0.660 54.164 54.840 -0.026 0.000 0.828 265 L CB 0.256 42.297 42.059 -0.030 0.000 1.106 265 L HN 0.673 nan 8.230 nan 0.000 0.467 266 A N 2.385 125.188 122.820 -0.028 0.000 2.445 266 A HA 0.119 4.440 4.320 0.000 0.000 0.242 266 A C 1.019 178.588 177.584 -0.026 0.000 1.075 266 A CA -0.211 51.809 52.037 -0.028 0.000 0.777 266 A CB 0.260 19.227 19.000 -0.056 0.000 1.013 266 A HN 0.910 nan 8.150 nan 0.000 0.493 267 E N 1.183 121.373 120.200 -0.017 0.000 2.033 267 E HA -0.122 4.228 4.350 0.000 0.000 0.189 267 E C 1.193 177.780 176.600 -0.022 0.000 0.979 267 E CA 1.390 57.779 56.400 -0.018 0.000 0.802 267 E CB 0.101 29.794 29.700 -0.012 0.000 0.763 267 E HN 0.855 nan 8.360 nan 0.000 0.449 268 E N 0.875 121.061 120.200 -0.023 0.000 2.402 268 E HA 0.077 4.427 4.350 0.000 0.000 0.261 268 E C 0.607 177.186 176.600 -0.034 0.000 0.823 268 E CA 0.104 56.488 56.400 -0.026 0.000 1.205 268 E CB 0.327 30.013 29.700 -0.023 0.000 1.431 268 E HN 0.059 nan 8.360 nan 0.000 0.518 269 E N 0.580 120.756 120.200 -0.041 0.000 2.285 269 E HA 0.317 4.667 4.350 0.000 0.000 0.254 269 E C -0.736 175.827 176.600 -0.061 0.000 1.011 269 E CA -0.683 55.687 56.400 -0.050 0.000 0.873 269 E CB 1.860 31.530 29.700 -0.050 0.000 1.229 269 E HN -0.071 nan 8.360 nan 0.000 0.422 270 V N 1.548 121.420 119.914 -0.070 0.000 2.694 270 V HA 0.010 4.130 4.120 0.000 0.000 0.306 270 V C -0.048 175.998 176.094 -0.080 0.000 1.054 270 V CA 0.277 62.529 62.300 -0.079 0.000 1.161 270 V CB 0.615 32.382 31.823 -0.092 0.000 0.916 270 V HN 0.290 nan 8.190 nan 0.000 0.490 271 V N 6.231 126.092 119.914 -0.089 0.000 2.604 271 V HA 0.573 4.693 4.120 0.000 0.000 0.305 271 V C -0.184 175.867 176.094 -0.072 0.000 1.043 271 V CA -0.564 61.674 62.300 -0.103 0.000 0.888 271 V CB 1.782 33.504 31.823 -0.169 0.000 0.995 271 V HN 0.799 nan 8.190 nan 0.000 0.429 272 I N 2.204 122.763 120.570 -0.019 0.000 2.530 272 I HA 0.829 4.999 4.170 0.000 0.000 0.297 272 I C -0.551 175.665 176.117 0.166 0.000 1.011 272 I CA -0.713 60.639 61.300 0.086 0.000 1.107 272 I CB 2.025 40.132 38.000 0.177 0.000 1.285 272 I HN 0.537 nan 8.210 nan 0.000 0.436 273 R N 3.346 123.935 120.500 0.147 0.000 2.771 273 R HA 0.745 5.085 4.340 0.000 0.000 0.274 273 R C -1.244 175.041 176.300 -0.025 0.000 0.987 273 R CA -1.007 55.158 56.100 0.109 0.000 0.908 273 R CB 2.274 32.524 30.300 -0.084 0.000 1.213 273 R HN 0.795 nan 8.270 nan 0.000 0.468 274 S N -0.168 115.384 115.700 -0.247 0.000 2.535 274 S HA 0.175 4.645 4.470 0.000 0.000 0.272 274 S C 0.351 174.817 174.600 -0.225 0.000 1.149 274 S CA -0.768 57.154 58.200 -0.463 0.000 0.888 274 S CB 1.219 63.680 63.200 -1.233 0.000 1.110 274 S HN 0.765 nan 8.310 nan 0.000 0.463 275 c N 2.712 121.156 118.600 -0.261 0.000 2.437 275 c HA 0.288 4.859 4.570 0.000 0.000 0.283 275 c C 0.928 174.941 174.090 -0.128 0.000 1.424 275 c CA 0.302 56.475 56.329 -0.260 0.000 1.782 275 c CB -1.498 40.806 42.510 -0.344 0.000 1.833 275 c HN 0.735 nan 8.230 nan 0.000 0.532 276 N N -1.244 117.363 118.700 -0.155 0.000 3.466 276 N HA 0.051 4.791 4.740 0.000 0.000 0.217 276 N C -0.192 175.303 175.510 -0.026 0.000 1.265 276 N CA -0.417 52.609 53.050 -0.040 0.000 0.887 276 N CB -0.360 38.121 38.487 -0.010 0.000 1.626 276 N HN 0.109 nan 8.380 nan 0.000 0.700 277 F N 0.851 120.854 119.950 0.088 0.000 2.269 277 F HA -0.054 4.473 4.527 0.000 0.000 0.301 277 F C 2.226 178.127 175.800 0.168 0.000 1.082 277 F CA 1.268 59.350 58.000 0.137 0.000 1.360 277 F CB 0.264 39.288 39.000 0.041 0.000 1.041 277 F HN 0.388 nan 8.300 nan 0.000 0.512 278 T N -2.031 112.681 114.554 0.264 0.000 3.088 278 T HA -0.096 4.254 4.350 0.000 0.000 0.259 278 T C 0.484 175.260 174.700 0.128 0.000 1.122 278 T CA 0.534 62.748 62.100 0.190 0.000 1.095 278 T CB -0.233 68.714 68.868 0.131 0.000 0.930 278 T HN -0.017 nan 8.240 nan 0.000 0.508 279 D N 2.182 122.641 120.400 0.098 0.000 2.428 279 D HA 0.126 4.767 4.640 0.000 0.000 0.221 279 D C 0.950 177.277 176.300 0.044 0.000 1.123 279 D CA -0.555 53.475 54.000 0.051 0.000 0.869 279 D CB 0.450 41.262 40.800 0.020 0.000 1.032 279 D HN 0.166 nan 8.370 nan 0.000 0.506 280 N N 3.373 122.092 118.700 0.032 0.000 2.348 280 N HA -0.206 4.534 4.740 0.000 0.000 0.185 280 N C 1.422 176.928 175.510 -0.007 0.000 1.019 280 N CA 1.401 54.453 53.050 0.003 0.000 0.880 280 N CB -0.141 38.325 38.487 -0.035 0.000 0.965 280 N HN 0.255 nan 8.380 nan 0.000 0.437 281 A N 0.438 123.255 122.820 -0.005 0.000 1.897 281 A HA -0.031 4.289 4.320 0.000 0.000 0.215 281 A C 0.994 178.570 177.584 -0.013 0.000 1.181 281 A CA 0.617 52.648 52.037 -0.010 0.000 0.620 281 A CB -0.276 18.717 19.000 -0.011 0.000 0.821 281 A HN 0.103 nan 8.150 nan 0.000 0.443 282 K N 2.169 122.557 120.400 -0.020 0.000 2.484 282 K HA 0.101 4.421 4.320 0.000 0.000 0.280 282 K C -0.246 176.336 176.600 -0.031 0.000 1.013 282 K CA 0.380 56.641 56.287 -0.045 0.000 1.029 282 K CB -0.136 32.319 32.500 -0.074 0.000 0.902 282 K HN 0.313 nan 8.250 nan 0.000 0.481 283 T N 3.900 118.434 114.554 -0.032 0.000 2.901 283 T HA 0.224 4.574 4.350 0.000 0.000 0.301 283 T C 0.937 175.642 174.700 0.008 0.000 1.012 283 T CA -0.263 61.840 62.100 0.005 0.000 1.135 283 T CB 0.417 69.291 68.868 0.011 0.000 0.936 283 T HN 0.293 nan 8.240 nan 0.000 0.539 284 I N 3.549 124.164 120.570 0.075 0.000 2.342 284 I HA 0.332 4.502 4.170 0.000 0.000 0.291 284 I C 0.053 176.241 176.117 0.118 0.000 1.010 284 I CA -0.447 60.916 61.300 0.106 0.000 1.308 284 I CB 0.851 39.001 38.000 0.250 0.000 1.400 284 I HN 0.454 nan 8.210 nan 0.000 0.488 285 I N 7.181 127.820 120.570 0.114 0.000 2.328 285 I HA 0.273 4.443 4.170 0.000 0.000 0.287 285 I C -0.305 175.858 176.117 0.077 0.000 1.012 285 I CA -0.636 60.729 61.300 0.109 0.000 1.195 285 I CB 1.309 39.400 38.000 0.152 0.000 1.350 285 I HN 0.205 nan 8.210 nan 0.000 0.464 286 V N 6.370 126.323 119.914 0.064 0.000 2.539 286 V HA 0.291 4.411 4.120 0.000 0.000 0.292 286 V C 0.015 176.103 176.094 -0.009 0.000 1.045 286 V CA -0.460 61.855 62.300 0.024 0.000 0.945 286 V CB 1.558 33.393 31.823 0.020 0.000 0.993 286 V HN 0.749 nan 8.190 nan 0.000 0.464 287 Q N 4.388 124.161 119.800 -0.046 0.000 2.397 287 Q HA 0.486 4.826 4.340 0.000 0.000 0.260 287 Q C -1.163 174.799 176.000 -0.064 0.000 1.002 287 Q CA -0.573 55.197 55.803 -0.056 0.000 0.716 287 Q CB 1.240 29.924 28.738 -0.091 0.000 1.258 287 Q HN 0.745 nan 8.270 nan 0.000 0.477 288 L N 2.422 123.610 121.223 -0.059 0.000 2.473 288 L HA 0.145 4.486 4.340 0.000 0.000 0.268 288 L C 1.341 178.177 176.870 -0.058 0.000 1.215 288 L CA -0.351 54.447 54.840 -0.071 0.000 0.823 288 L CB 0.112 42.128 42.059 -0.071 0.000 1.099 288 L HN 0.727 nan 8.230 nan 0.000 0.483 289 N N -1.442 117.221 118.700 -0.061 0.000 2.236 289 N HA 0.023 4.763 4.740 0.000 0.000 0.196 289 N C -0.168 175.317 175.510 -0.042 0.000 1.114 289 N CA -0.120 52.901 53.050 -0.048 0.000 0.859 289 N CB 0.629 39.087 38.487 -0.048 0.000 0.982 289 N HN 0.551 nan 8.380 nan 0.000 0.493 290 T N 0.619 115.146 114.554 -0.045 0.000 3.011 290 T HA 0.321 4.671 4.350 0.000 0.000 0.303 290 T C -0.782 173.901 174.700 -0.028 0.000 0.997 290 T CA -0.716 61.363 62.100 -0.035 0.000 1.007 290 T CB 1.603 70.448 68.868 -0.037 0.000 1.017 290 T HN 0.276 nan 8.240 nan 0.000 0.443 291 S N 2.145 117.833 115.700 -0.019 0.000 2.565 291 S HA 0.524 4.994 4.470 0.000 0.000 0.276 291 S C 0.054 174.658 174.600 0.006 0.000 1.326 291 S CA -0.688 57.506 58.200 -0.010 0.000 1.045 291 S CB 0.616 63.806 63.200 -0.017 0.000 0.918 291 S HN 0.455 nan 8.310 nan 0.000 0.505 292 V N 3.071 123.002 119.914 0.029 0.000 2.328 292 V HA 0.343 4.463 4.120 0.000 0.000 0.278 292 V C 0.493 176.592 176.094 0.009 0.000 1.021 292 V CA -0.704 61.629 62.300 0.055 0.000 0.838 292 V CB 0.548 32.476 31.823 0.174 0.000 0.999 292 V HN 1.020 nan 8.190 nan 0.000 0.447 293 E N 4.143 124.340 120.200 -0.004 0.000 2.414 293 E HA 0.307 4.657 4.350 0.000 0.000 0.263 293 E C -0.715 175.856 176.600 -0.047 0.000 1.000 293 E CA -0.008 56.376 56.400 -0.027 0.000 0.914 293 E CB 0.846 30.537 29.700 -0.016 0.000 0.948 293 E HN 0.699 nan 8.360 nan 0.000 0.444 294 I N 4.507 125.032 120.570 -0.074 0.000 2.500 294 I HA 0.266 4.437 4.170 0.000 0.000 0.286 294 I C -1.568 174.507 176.117 -0.070 0.000 1.063 294 I CA -0.893 60.352 61.300 -0.091 0.000 1.062 294 I CB 1.135 39.045 38.000 -0.151 0.000 1.223 294 I HN 0.447 nan 8.210 nan 0.000 0.435 295 N N 7.094 125.777 118.700 -0.028 0.000 2.439 295 N HA 0.350 5.090 4.740 0.000 0.000 0.249 295 N C -1.322 174.200 175.510 0.019 0.000 1.003 295 N CA -0.236 52.810 53.050 -0.007 0.000 0.942 295 N CB 1.318 39.815 38.487 0.016 0.000 1.115 295 N HN 0.439 nan 8.380 nan 0.000 0.505 296 c N 1.265 119.864 118.600 -0.001 0.000 2.301 296 c HA 0.510 5.080 4.570 0.000 0.000 0.323 296 c C 0.984 175.102 174.090 0.047 0.000 1.265 296 c CA -0.769 55.591 56.329 0.051 0.000 1.503 296 c CB 0.707 43.235 42.510 0.029 0.000 2.195 296 c HN 0.585 nan 8.230 nan 0.000 0.477 297 T N 1.155 115.704 114.554 -0.009 0.000 2.929 297 T HA 0.478 4.828 4.350 0.000 0.000 0.284 297 T C 1.327 176.064 174.700 0.062 0.000 1.014 297 T CA 0.406 62.489 62.100 -0.028 0.000 1.051 297 T CB 1.336 70.103 68.868 -0.169 0.000 1.028 297 T HN 0.861 nan 8.240 nan 0.000 0.485 298 G N 2.191 111.039 108.800 0.079 0.000 2.470 298 G HA2 0.192 4.152 3.960 0.000 0.000 0.220 298 G HA3 0.192 4.152 3.960 0.000 0.000 0.220 298 G C 0.892 175.756 174.900 -0.059 0.000 1.121 298 G CA 0.623 45.753 45.100 0.050 0.000 0.766 298 G HN 1.074 nan 8.290 nan 0.000 0.553 330 H N -2.414 116.734 119.070 0.130 0.000 3.064 330 H HA 0.628 5.184 4.556 0.000 0.000 0.352 330 H C -1.596 173.841 175.328 0.182 0.000 1.260 330 H CA -0.835 55.298 56.048 0.142 0.000 1.160 330 H CB 1.330 31.142 29.762 0.084 0.000 1.879 330 H HN 0.072 nan 8.280 nan 0.000 0.544 331 c N 2.099 120.881 118.600 0.303 0.000 2.455 331 c HA 0.459 5.029 4.570 0.000 0.000 0.320 331 c C -0.185 173.996 174.090 0.152 0.000 1.226 331 c CA -0.676 55.775 56.329 0.202 0.000 1.569 331 c CB 0.847 43.473 42.510 0.193 0.000 2.200 331 c HN 0.680 nan 8.230 nan 0.000 0.491 332 N N 2.194 120.955 118.700 0.102 0.000 2.361 332 N HA 0.736 5.476 4.740 0.000 0.000 0.302 332 N C -1.148 174.350 175.510 -0.019 0.000 1.074 332 N CA -0.281 52.800 53.050 0.052 0.000 0.850 332 N CB 1.645 40.179 38.487 0.078 0.000 1.228 332 N HN 0.573 nan 8.380 nan 0.000 0.491 333 I N 0.604 121.143 120.570 -0.051 0.000 2.571 333 I HA 0.294 4.464 4.170 0.000 0.000 0.289 333 I C -0.077 176.022 176.117 -0.030 0.000 1.115 333 I CA -1.167 60.085 61.300 -0.081 0.000 1.045 333 I CB 1.994 39.861 38.000 -0.222 0.000 1.238 333 I HN 0.417 nan 8.210 nan 0.000 0.424 334 A N 5.970 128.794 122.820 0.007 0.000 2.526 334 A HA 0.085 4.405 4.320 0.000 0.000 0.267 334 A C 1.524 179.150 177.584 0.070 0.000 1.095 334 A CA 0.203 52.260 52.037 0.034 0.000 0.775 334 A CB -0.054 18.969 19.000 0.038 0.000 1.036 334 A HN 0.965 nan 8.150 nan 0.000 0.510 335 R N 2.789 123.327 120.500 0.064 0.000 2.081 335 R HA -0.182 4.158 4.340 0.000 0.000 0.235 335 R C 2.169 178.548 176.300 0.132 0.000 1.131 335 R CA 1.744 57.907 56.100 0.105 0.000 0.960 335 R CB -0.305 30.038 30.300 0.072 0.000 0.856 335 R HN 0.833 nan 8.270 nan 0.000 0.436 336 A N 1.686 124.559 122.820 0.087 0.000 1.892 336 A HA -0.203 4.117 4.320 0.000 0.000 0.218 336 A C 1.993 179.624 177.584 0.078 0.000 1.188 336 A CA 1.704 53.785 52.037 0.074 0.000 0.631 336 A CB -0.416 18.614 19.000 0.050 0.000 0.822 336 A HN 0.246 nan 8.150 nan 0.000 0.447 337 K N -1.280 119.171 120.400 0.085 0.000 2.097 337 K HA -0.168 4.152 4.320 0.000 0.000 0.206 337 K C 1.962 178.628 176.600 0.110 0.000 1.049 337 K CA 1.153 57.487 56.287 0.078 0.000 0.933 337 K CB -0.400 32.148 32.500 0.080 0.000 0.717 337 K HN 0.860 nan 8.250 nan 0.000 0.442 338 W N 2.358 123.623 121.300 -0.059 0.000 2.408 338 W HA -0.230 4.430 4.660 0.000 0.000 0.311 338 W C 1.877 178.352 176.519 -0.073 0.000 1.190 338 W CA 1.470 58.757 57.345 -0.097 0.000 1.321 338 W CB -0.362 29.030 29.460 -0.114 0.000 1.143 338 W HN 0.187 nan 8.180 nan 0.000 0.501 339 N N 1.064 119.802 118.700 0.063 0.000 2.049 339 N HA -0.328 4.412 4.740 0.000 0.000 0.198 339 N C 1.645 177.134 175.510 -0.035 0.000 1.030 339 N CA 2.516 55.605 53.050 0.064 0.000 0.870 339 N CB -1.190 37.389 38.487 0.153 0.000 1.045 339 N HN 0.160 nan 8.380 nan 0.000 0.434 340 N N -1.287 117.383 118.700 -0.051 0.000 2.166 340 N HA -0.121 4.619 4.740 0.000 0.000 0.186 340 N C 1.032 176.394 175.510 -0.246 0.000 1.019 340 N CA 1.678 54.670 53.050 -0.098 0.000 0.856 340 N CB -0.185 38.274 38.487 -0.046 0.000 0.993 340 N HN 0.316 nan 8.380 nan 0.000 0.426 341 T N 1.871 116.225 114.554 -0.333 0.000 2.788 341 T HA -0.036 4.314 4.350 0.000 0.000 0.268 341 T C 2.017 176.325 174.700 -0.652 0.000 1.044 341 T CA 0.549 62.370 62.100 -0.464 0.000 1.139 341 T CB -0.067 68.477 68.868 -0.539 0.000 0.867 341 T HN 0.186 nan 8.240 nan 0.000 0.454 342 L N 0.878 121.597 121.223 -0.839 0.000 1.994 342 L HA -0.138 4.202 4.340 0.000 0.000 0.208 342 L C 2.832 179.124 176.870 -0.963 0.000 1.071 342 L CA 1.501 55.797 54.840 -0.905 0.000 0.745 342 L CB -0.558 41.064 42.059 -0.729 0.000 0.892 342 L HN 0.229 nan 8.230 nan 0.000 0.431 343 K N 0.345 120.095 120.400 -1.083 0.000 2.034 343 K HA -0.290 4.030 4.320 0.000 0.000 0.214 343 K C 2.026 178.314 176.600 -0.521 0.000 1.051 343 K CA 2.059 57.715 56.287 -1.050 0.000 0.931 343 K CB -0.185 32.023 32.500 -0.486 0.000 0.715 343 K HN 0.400 nan 8.250 nan 0.000 0.446 344 Q N 0.194 119.777 119.800 -0.362 0.000 2.096 344 Q HA -0.142 4.198 4.340 0.000 0.000 0.204 344 Q C 2.279 178.150 176.000 -0.214 0.000 0.982 344 Q CA 1.844 57.513 55.803 -0.224 0.000 0.850 344 Q CB -0.122 28.500 28.738 -0.192 0.000 0.901 344 Q HN 0.428 nan 8.270 nan 0.000 0.422 345 I N 0.304 120.702 120.570 -0.286 0.000 2.163 345 I HA -0.272 3.898 4.170 0.000 0.000 0.240 345 I C 2.474 178.490 176.117 -0.168 0.000 1.081 345 I CA 0.909 62.086 61.300 -0.204 0.000 1.353 345 I CB -0.578 37.287 38.000 -0.224 0.000 1.054 345 I HN 0.169 nan 8.210 nan 0.000 0.407 346 A N 0.155 122.819 122.820 -0.260 0.000 1.927 346 A HA -0.309 4.011 4.320 0.000 0.000 0.220 346 A C 2.516 180.085 177.584 -0.024 0.000 1.185 346 A CA 2.600 54.458 52.037 -0.299 0.000 0.639 346 A CB -0.984 17.576 19.000 -0.732 0.000 0.820 346 A HN 0.447 nan 8.150 nan 0.000 0.451 347 S N -0.842 114.887 115.700 0.049 0.000 2.368 347 S HA -0.152 4.318 4.470 0.000 0.000 0.225 347 S C 1.962 176.587 174.600 0.040 0.000 1.030 347 S CA 1.551 59.851 58.200 0.166 0.000 0.999 347 S CB -0.279 62.983 63.200 0.104 0.000 0.844 347 S HN 0.495 nan 8.310 nan 0.000 0.459 348 K N 0.592 120.980 120.400 -0.021 0.000 2.439 348 K HA 0.144 4.465 4.320 0.000 0.000 0.197 348 K C 1.766 178.357 176.600 -0.016 0.000 1.041 348 K CA 0.390 56.654 56.287 -0.038 0.000 0.970 348 K CB -0.163 32.303 32.500 -0.057 0.000 0.773 348 K HN 0.458 nan 8.250 nan 0.000 0.479 349 L N -0.441 120.794 121.223 0.020 0.000 2.221 349 L HA 0.063 4.403 4.340 0.000 0.000 0.202 349 L C 2.527 179.555 176.870 0.262 0.000 1.074 349 L CA 0.343 55.269 54.840 0.142 0.000 0.795 349 L CB -0.281 41.716 42.059 -0.103 0.000 0.960 349 L HN 0.033 nan 8.230 nan 0.000 0.458 350 R N 0.799 121.409 120.500 0.184 0.000 2.200 350 R HA -0.221 4.119 4.340 0.000 0.000 0.234 350 R C 1.939 178.284 176.300 0.075 0.000 1.127 350 R CA 1.510 57.722 56.100 0.187 0.000 0.989 350 R CB 0.013 30.437 30.300 0.206 0.000 0.869 350 R HN 0.391 nan 8.270 nan 0.000 0.459 351 E N -0.437 119.770 120.200 0.011 0.000 2.478 351 E HA -0.159 4.191 4.350 0.000 0.000 0.194 351 E C 1.421 177.929 176.600 -0.154 0.000 1.045 351 E CA 0.444 56.802 56.400 -0.069 0.000 0.868 351 E CB 0.356 30.007 29.700 -0.081 0.000 0.885 351 E HN 0.239 nan 8.360 nan 0.000 0.505 352 Q N -0.902 118.773 119.800 -0.208 0.000 2.316 352 Q HA 0.122 4.462 4.340 0.000 0.000 0.235 352 Q C -0.350 175.222 176.000 -0.713 0.000 0.863 352 Q CA 0.336 55.796 55.803 -0.572 0.000 0.939 352 Q CB 0.476 28.686 28.738 -0.881 0.000 1.108 352 Q HN 0.184 nan 8.270 nan 0.000 0.522 353 F N 0.319 120.264 119.950 -0.008 0.000 2.679 353 F HA 0.599 5.126 4.527 0.000 0.000 0.354 353 F C 0.145 175.964 175.800 0.031 0.000 1.423 353 F CA -0.271 57.752 58.000 0.037 0.000 1.141 353 F CB 1.448 40.520 39.000 0.120 0.000 1.168 353 F HN 0.047 nan 8.300 nan 0.000 0.530 354 G N 1.183 110.042 108.800 0.097 0.000 3.445 354 G HA2 -0.267 3.693 3.960 0.000 0.000 0.680 354 G HA3 -0.267 3.693 3.960 0.000 0.000 0.680 354 G C 0.300 175.232 174.900 0.054 0.000 0.972 354 G CA -0.793 44.347 45.100 0.067 0.000 0.798 354 G HN 0.329 nan 8.290 nan 0.000 0.461 355 N N 0.728 119.430 118.700 0.003 0.000 2.513 355 N HA -0.090 4.650 4.740 0.000 0.000 0.187 355 N C 1.231 176.714 175.510 -0.045 0.000 1.056 355 N CA 1.341 54.372 53.050 -0.032 0.000 0.907 355 N CB 0.012 38.466 38.487 -0.055 0.000 0.954 355 N HN 0.736 nan 8.380 nan 0.000 0.445 356 N N 0.115 118.812 118.700 -0.004 0.000 2.660 356 N HA 0.115 4.855 4.740 0.000 0.000 0.316 356 N C -1.114 174.431 175.510 0.058 0.000 1.774 356 N CA -0.186 52.865 53.050 0.002 0.000 0.946 356 N CB 0.309 38.793 38.487 -0.004 0.000 1.322 356 N HN -0.082 nan 8.380 nan 0.000 0.492 357 K N 0.193 120.655 120.400 0.105 0.000 2.164 357 K HA 0.325 4.645 4.320 0.000 0.000 0.258 357 K C -0.581 176.153 176.600 0.222 0.000 0.951 357 K CA -0.607 55.767 56.287 0.145 0.000 0.844 357 K CB 1.792 34.387 32.500 0.158 0.000 1.099 357 K HN 0.068 nan 8.250 nan 0.000 0.435 358 T N 3.278 117.939 114.554 0.179 0.000 2.794 358 T HA 0.240 4.590 4.350 0.000 0.000 0.296 358 T C 0.274 175.054 174.700 0.135 0.000 0.949 358 T CA -0.426 61.786 62.100 0.188 0.000 1.101 358 T CB 0.245 69.182 68.868 0.114 0.000 0.905 358 T HN 0.219 nan 8.240 nan 0.000 0.516 359 I N 4.668 125.301 120.570 0.104 0.000 2.331 359 I HA 0.395 4.565 4.170 0.000 0.000 0.292 359 I C 0.209 176.264 176.117 -0.105 0.000 0.998 359 I CA -0.740 60.544 61.300 -0.026 0.000 1.267 359 I CB 0.821 38.702 38.000 -0.198 0.000 1.386 359 I HN 0.573 nan 8.210 nan 0.000 0.476 360 I N 6.433 126.948 120.570 -0.092 0.000 2.406 360 I HA 0.361 4.532 4.170 0.000 0.000 0.290 360 I C -0.749 175.326 176.117 -0.070 0.000 0.999 360 I CA -0.553 60.718 61.300 -0.049 0.000 1.124 360 I CB 1.528 39.543 38.000 0.026 0.000 1.289 360 I HN 0.267 nan 8.210 nan 0.000 0.441 361 F N 5.361 125.481 119.950 0.283 0.000 2.404 361 F HA 0.502 5.029 4.527 0.000 0.000 0.354 361 F C 0.297 176.265 175.800 0.280 0.000 1.122 361 F CA -0.554 57.642 58.000 0.327 0.000 1.080 361 F CB 1.327 40.550 39.000 0.372 0.000 1.131 361 F HN 0.289 nan 8.300 nan 0.000 0.471 362 K N 2.392 123.049 120.400 0.428 0.000 2.385 362 K HA 0.322 4.642 4.320 0.000 0.000 0.248 362 K C -0.846 175.909 176.600 0.258 0.000 0.955 362 K CA -1.154 55.305 56.287 0.287 0.000 0.816 362 K CB 2.247 34.848 32.500 0.168 0.000 1.250 362 K HN 0.641 nan 8.250 nan 0.000 0.434 363 Q N 0.358 120.289 119.800 0.219 0.000 2.539 363 Q HA 0.024 4.365 4.340 0.000 0.000 0.268 363 Q C 0.030 176.078 176.000 0.080 0.000 1.109 363 Q CA -0.139 55.762 55.803 0.163 0.000 0.968 363 Q CB 0.264 29.089 28.738 0.145 0.000 1.309 363 Q HN 0.390 nan 8.270 nan 0.000 0.497 364 S N 0.362 116.085 115.700 0.039 0.000 2.558 364 S HA -0.014 4.456 4.470 0.000 0.000 0.288 364 S C 0.621 175.238 174.600 0.029 0.000 1.318 364 S CA -0.051 58.158 58.200 0.014 0.000 1.056 364 S CB 0.459 63.668 63.200 0.014 0.000 0.853 364 S HN 0.614 nan 8.310 nan 0.000 0.505 365 S N 2.964 118.675 115.700 0.017 0.000 2.507 365 S HA 0.311 4.781 4.470 0.000 0.000 0.235 365 S C 0.871 175.480 174.600 0.014 0.000 0.988 365 S CA 0.648 58.858 58.200 0.016 0.000 0.944 365 S CB -0.829 62.374 63.200 0.005 0.000 0.762 365 S HN 1.402 nan 8.310 nan 0.000 0.526 366 G N -1.200 107.609 108.800 0.015 0.000 2.406 366 G HA2 0.464 4.424 3.960 0.000 0.000 0.680 366 G HA3 0.464 4.424 3.960 0.000 0.000 0.680 366 G C -0.424 174.479 174.900 0.005 0.000 1.338 366 G CA -0.536 44.572 45.100 0.013 0.000 0.941 366 G HN 0.884 nan 8.290 nan 0.000 0.633 367 G N -0.218 108.582 108.800 0.000 0.000 2.350 367 G HA2 0.523 4.483 3.960 0.000 0.000 0.282 367 G HA3 0.523 4.483 3.960 0.000 0.000 0.282 367 G C -1.139 173.749 174.900 -0.020 0.000 1.314 367 G CA 0.216 45.310 45.100 -0.011 0.000 0.915 367 G HN 1.071 nan 8.290 nan 0.000 0.499 368 D N 1.119 121.497 120.400 -0.037 0.000 2.419 368 D HA 0.318 4.958 4.640 0.000 0.000 0.236 368 D C -1.085 175.186 176.300 -0.048 0.000 1.165 368 D CA -0.822 53.141 54.000 -0.061 0.000 0.882 368 D CB 1.014 41.758 40.800 -0.093 0.000 1.201 368 D HN 0.040 nan 8.370 nan 0.000 0.443 369 P HA -0.154 nan 4.420 nan 0.000 0.216 369 P C 0.794 178.154 177.300 0.101 0.000 1.150 369 P CA 1.266 64.389 63.100 0.038 0.000 0.843 369 P CB 0.249 31.921 31.700 -0.047 0.000 0.787 370 E N -0.659 119.469 120.200 -0.120 0.000 2.209 370 E HA -0.159 4.191 4.350 0.000 0.000 0.196 370 E C 1.622 178.171 176.600 -0.085 0.000 0.993 370 E CA 1.105 57.214 56.400 -0.484 0.000 0.819 370 E CB -0.867 28.165 29.700 -1.112 0.000 0.745 370 E HN 0.464 nan 8.360 nan 0.000 0.477 371 I N -4.246 116.311 120.570 -0.021 0.000 4.018 371 I HA 0.145 4.315 4.170 0.000 0.000 0.337 371 I C 1.079 177.239 176.117 0.071 0.000 1.327 371 I CA 0.110 61.443 61.300 0.054 0.000 1.100 371 I CB 0.825 38.837 38.000 0.019 0.000 1.025 371 I HN -0.167 nan 8.210 nan 0.000 0.396 372 V N 0.479 120.443 119.914 0.084 0.000 3.379 372 V HA 0.167 4.288 4.120 0.000 0.000 0.249 372 V C 1.217 177.397 176.094 0.143 0.000 1.184 372 V CA 1.354 63.707 62.300 0.088 0.000 1.106 372 V CB -0.013 31.850 31.823 0.067 0.000 0.826 372 V HN 0.665 nan 8.190 nan 0.000 0.465 373 T N -2.355 112.321 114.554 0.204 0.000 2.944 373 T HA 0.318 4.668 4.350 0.000 0.000 0.284 373 T C -0.001 174.907 174.700 0.346 0.000 1.010 373 T CA -0.427 61.839 62.100 0.276 0.000 1.025 373 T CB 1.132 70.203 68.868 0.338 0.000 1.079 373 T HN 0.394 nan 8.240 nan 0.000 0.516 374 H N 0.893 120.130 119.070 0.278 0.000 3.291 374 H HA 0.141 4.697 4.556 0.000 0.000 0.256 374 H C -1.161 174.414 175.328 0.412 0.000 1.315 374 H CA -0.829 55.404 56.048 0.307 0.000 1.521 374 H CB -0.178 29.742 29.762 0.264 0.000 1.621 374 H HN 0.663 nan 8.280 nan 0.000 0.498 375 W N 8.335 129.680 121.300 0.076 0.000 2.390 375 W HA 0.380 5.040 4.660 0.000 0.000 0.312 375 W C -1.746 174.802 176.519 0.047 0.000 1.123 375 W CA -0.851 56.414 57.345 -0.133 0.000 1.202 375 W CB 0.274 29.598 29.460 -0.226 0.000 1.251 375 W HN 0.500 nan 8.180 nan 0.000 0.511 376 F N 4.402 123.921 119.950 -0.720 0.000 2.741 376 F HA 0.480 5.007 4.527 0.000 0.000 0.311 376 F C -1.042 174.372 175.800 -0.643 0.000 1.149 376 F CA -1.519 56.064 58.000 -0.696 0.000 0.930 376 F CB 0.504 39.229 39.000 -0.459 0.000 1.312 376 F HN 0.410 nan 8.300 nan 0.000 0.450 377 N N 0.368 118.740 118.700 -0.547 0.000 2.492 377 N HA 0.421 5.161 4.740 0.000 0.000 0.289 377 N C -1.143 174.140 175.510 -0.379 0.000 1.133 377 N CA -0.737 51.811 53.050 -0.838 0.000 0.961 377 N CB 1.623 39.567 38.487 -0.904 0.000 1.186 377 N HN 1.035 nan 8.380 nan 0.000 0.493 378 c N 1.417 119.769 118.600 -0.413 0.000 3.114 378 c HA 0.674 5.244 4.570 0.000 0.000 0.215 378 c C 0.617 174.526 174.090 -0.301 0.000 1.759 378 c CA 0.347 56.542 56.329 -0.222 0.000 1.455 378 c CB -1.989 40.394 42.510 -0.213 0.000 2.528 378 c HN 1.065 nan 8.230 nan 0.000 0.511 379 G N 1.967 110.576 108.800 -0.317 0.000 2.675 379 G HA2 0.324 4.285 3.960 0.000 0.000 0.196 379 G HA3 0.324 4.285 3.960 0.000 0.000 0.196 379 G C 1.123 175.688 174.900 -0.558 0.000 0.679 379 G CA 0.746 45.431 45.100 -0.692 0.000 0.886 379 G HN 2.322 nan 8.290 nan 0.000 0.320 380 G N 1.859 110.440 108.800 -0.364 0.000 3.444 380 G HA2 -0.302 3.658 3.960 0.000 0.000 0.222 380 G HA3 -0.302 3.658 3.960 0.000 0.000 0.222 380 G C 0.514 175.513 174.900 0.166 0.000 1.358 380 G CA 1.121 46.212 45.100 -0.014 0.000 0.880 380 G HN 1.275 nan 8.290 nan 0.000 0.555 381 E N 0.184 120.359 120.200 -0.042 0.000 2.331 381 E HA 0.580 4.930 4.350 0.000 0.000 0.272 381 E C -0.989 175.548 176.600 -0.104 0.000 1.036 381 E CA -0.446 55.984 56.400 0.049 0.000 0.864 381 E CB 0.709 30.434 29.700 0.042 0.000 1.035 381 E HN 0.218 nan 8.360 nan 0.000 0.408 382 F N 2.084 122.092 119.950 0.098 0.000 2.482 382 F HA 0.351 4.878 4.527 0.000 0.000 0.331 382 F C -0.446 175.365 175.800 0.018 0.000 1.115 382 F CA -0.722 57.288 58.000 0.018 0.000 0.955 382 F CB 0.820 39.939 39.000 0.198 0.000 1.136 382 F HN 0.340 nan 8.300 nan 0.000 0.452 383 F N 2.901 122.542 119.950 -0.514 0.000 2.404 383 F HA 0.377 4.904 4.527 0.000 0.000 0.345 383 F C -0.659 174.984 175.800 -0.261 0.000 1.110 383 F CA -1.099 56.627 58.000 -0.458 0.000 1.130 383 F CB 0.631 39.010 39.000 -1.036 0.000 1.129 383 F HN 0.249 nan 8.300 nan 0.000 0.500 384 Y N 2.135 122.512 120.300 0.129 0.000 2.345 384 Y HA 0.460 5.010 4.550 0.000 0.000 0.331 384 Y C -0.263 175.740 175.900 0.172 0.000 0.959 384 Y CA -0.894 57.326 58.100 0.200 0.000 1.204 384 Y CB 1.341 39.883 38.460 0.138 0.000 1.135 384 Y HN 0.438 nan 8.280 nan 0.000 0.477 385 c N 3.080 121.880 118.600 0.333 0.000 2.417 385 c HA 0.290 4.860 4.570 0.000 0.000 0.324 385 c C 0.470 174.733 174.090 0.288 0.000 1.240 385 c CA -1.258 55.262 56.329 0.317 0.000 1.632 385 c CB 0.933 43.678 42.510 0.391 0.000 2.241 385 c HN 0.742 nan 8.230 nan 0.000 0.499 386 N N 1.828 120.662 118.700 0.223 0.000 2.498 386 N HA -0.018 4.722 4.740 0.000 0.000 0.277 386 N C 0.928 176.550 175.510 0.188 0.000 1.208 386 N CA 0.131 53.292 53.050 0.185 0.000 1.029 386 N CB 0.560 39.129 38.487 0.136 0.000 1.403 386 N HN 0.839 nan 8.380 nan 0.000 0.500 387 S N 0.782 116.626 115.700 0.239 0.000 2.768 387 S HA -0.034 4.436 4.470 0.000 0.000 0.246 387 S C 1.446 176.232 174.600 0.309 0.000 1.006 387 S CA -0.233 58.124 58.200 0.261 0.000 1.075 387 S CB 0.011 63.441 63.200 0.382 0.000 0.786 387 S HN 0.403 nan 8.310 nan 0.000 0.468 388 T N 1.661 116.345 114.554 0.217 0.000 2.985 388 T HA -0.035 4.315 4.350 0.000 0.000 0.266 388 T C 1.645 176.456 174.700 0.185 0.000 1.076 388 T CA 1.134 63.362 62.100 0.213 0.000 1.135 388 T CB -0.248 68.709 68.868 0.149 0.000 0.890 388 T HN 0.695 nan 8.240 nan 0.000 0.480 389 Q N 0.102 119.970 119.800 0.114 0.000 2.432 389 Q HA 0.209 4.550 4.340 0.000 0.000 0.205 389 Q C 2.070 178.086 176.000 0.027 0.000 0.945 389 Q CA 0.573 56.415 55.803 0.065 0.000 0.924 389 Q CB -0.002 28.750 28.738 0.022 0.000 1.016 389 Q HN 0.476 nan 8.270 nan 0.000 0.503 390 L N -0.830 120.367 121.223 -0.043 0.000 2.307 390 L HA 0.089 4.429 4.340 0.000 0.000 0.211 390 L C 0.236 176.925 176.870 -0.301 0.000 1.099 390 L CA 0.449 55.138 54.840 -0.253 0.000 0.816 390 L CB 0.288 41.925 42.059 -0.703 0.000 0.952 390 L HN 0.122 nan 8.230 nan 0.000 0.455 391 F N 0.246 120.322 119.950 0.210 0.000 2.449 391 F HA 0.323 4.850 4.527 0.000 0.000 0.329 391 F C 0.151 176.100 175.800 0.248 0.000 1.245 391 F CA -0.584 57.556 58.000 0.234 0.000 1.193 391 F CB 0.272 39.401 39.000 0.215 0.000 1.425 391 F HN -0.105 nan 8.300 nan 0.000 0.544 392 N N 1.786 120.690 118.700 0.339 0.000 2.732 392 N HA 0.196 4.937 4.740 0.000 0.000 0.230 392 N C -1.364 174.266 175.510 0.201 0.000 1.487 392 N CA -0.073 53.127 53.050 0.249 0.000 0.765 392 N CB 0.657 39.249 38.487 0.176 0.000 1.384 392 N HN 0.276 nan 8.380 nan 0.000 0.530 393 S N -0.893 114.965 115.700 0.263 0.000 2.565 393 S HA 0.680 5.150 4.470 0.000 0.000 0.269 393 S C -1.050 173.599 174.600 0.082 0.000 1.153 393 S CA -0.631 57.642 58.200 0.122 0.000 0.835 393 S CB 1.633 64.922 63.200 0.149 0.000 1.122 393 S HN 0.014 nan 8.310 nan 0.000 0.462 394 T N 1.831 116.279 114.554 -0.176 0.000 2.829 394 T HA 0.615 4.965 4.350 0.000 0.000 0.280 394 T C -1.516 172.921 174.700 -0.438 0.000 0.999 394 T CA -0.246 61.756 62.100 -0.164 0.000 0.983 394 T CB 0.532 69.337 68.868 -0.104 0.000 0.968 394 T HN 0.630 nan 8.240 nan 0.000 0.446 395 W N 2.030 123.190 121.300 -0.234 0.000 2.702 395 W HA 0.578 5.238 4.660 0.000 0.000 0.331 395 W C -0.712 175.542 176.519 -0.442 0.000 1.049 395 W CA -1.085 55.965 57.345 -0.491 0.000 1.230 395 W CB 0.684 29.662 29.460 -0.803 0.000 1.408 395 W HN 0.660 nan 8.180 nan 0.000 0.492 396 F N 1.618 121.694 119.950 0.209 0.000 3.030 396 F HA -0.294 4.233 4.527 0.000 0.000 0.309 396 F C 0.158 175.991 175.800 0.056 0.000 0.941 396 F CA -0.252 57.821 58.000 0.122 0.000 1.082 396 F CB -1.915 37.159 39.000 0.124 0.000 1.113 396 F HN 0.393 nan 8.300 nan 0.000 0.716 397 N N 0.896 119.669 118.700 0.122 0.000 2.800 397 N HA 0.336 5.076 4.740 0.000 0.000 0.240 397 N C -0.204 175.330 175.510 0.040 0.000 1.096 397 N CA 0.342 53.429 53.050 0.061 0.000 0.877 397 N CB 1.279 39.766 38.487 0.001 0.000 1.138 397 N HN 0.282 nan 8.380 nan 0.000 0.509 411 S N 0.695 116.400 115.700 0.009 0.000 2.606 411 S HA 0.289 4.759 4.470 0.000 0.000 0.257 411 S C 1.301 175.909 174.600 0.014 0.000 1.327 411 S CA 1.139 59.344 58.200 0.008 0.000 0.984 411 S CB 0.834 64.036 63.200 0.003 0.000 0.941 411 S HN 0.558 nan 8.310 nan 0.000 0.576 412 D N -0.283 120.125 120.400 0.013 0.000 2.349 412 D HA 0.135 4.775 4.640 0.000 0.000 0.215 412 D C 0.454 176.766 176.300 0.020 0.000 1.016 412 D CA 0.259 54.270 54.000 0.018 0.000 0.870 412 D CB 0.010 40.820 40.800 0.016 0.000 0.917 412 D HN 0.350 nan 8.370 nan 0.000 0.524 413 T N -0.233 114.328 114.554 0.013 0.000 3.011 413 T HA 0.425 4.775 4.350 0.000 0.000 0.303 413 T C -0.959 173.740 174.700 -0.002 0.000 0.997 413 T CA -0.897 61.207 62.100 0.008 0.000 1.007 413 T CB 0.504 69.377 68.868 0.008 0.000 1.017 413 T HN 0.055 nan 8.240 nan 0.000 0.443 414 I N 4.314 124.876 120.570 -0.014 0.000 2.496 414 I HA 0.306 4.477 4.170 0.000 0.000 0.285 414 I C 0.485 176.585 176.117 -0.030 0.000 1.080 414 I CA -0.262 61.019 61.300 -0.032 0.000 1.404 414 I CB 1.330 39.283 38.000 -0.078 0.000 1.403 414 I HN 0.578 nan 8.210 nan 0.000 0.539 415 T N 7.413 121.957 114.554 -0.017 0.000 2.815 415 T HA 0.493 4.843 4.350 0.000 0.000 0.289 415 T C -0.209 174.510 174.700 0.032 0.000 1.000 415 T CA -0.520 61.584 62.100 0.006 0.000 0.958 415 T CB 0.865 69.710 68.868 -0.039 0.000 0.944 415 T HN 0.276 nan 8.240 nan 0.000 0.442 416 L N 5.443 126.714 121.223 0.080 0.000 2.292 416 L HA 0.414 4.754 4.340 0.000 0.000 0.284 416 L C -2.252 174.720 176.870 0.169 0.000 1.065 416 L CA -2.392 52.515 54.840 0.112 0.000 0.806 416 L CB 1.040 43.176 42.059 0.129 0.000 1.175 416 L HN 0.286 nan 8.230 nan 0.000 0.431 417 P HA 0.130 nan 4.420 nan 0.000 0.271 417 P C -1.002 176.395 177.300 0.161 0.000 1.216 417 P CA -0.298 62.886 63.100 0.139 0.000 0.771 417 P CB 0.711 32.468 31.700 0.096 0.000 0.864 418 c N 4.022 122.708 118.600 0.143 0.000 2.712 418 c HA 0.590 5.160 4.570 0.000 0.000 0.308 418 c C -0.189 173.907 174.090 0.009 0.000 1.201 418 c CA -0.590 55.806 56.329 0.111 0.000 1.554 418 c CB 1.958 44.547 42.510 0.132 0.000 2.117 418 c HN 0.490 nan 8.230 nan 0.000 0.480 419 R N 1.651 122.161 120.500 0.017 0.000 2.664 419 R HA 0.735 5.075 4.340 0.000 0.000 0.286 419 R C -1.156 175.077 176.300 -0.110 0.000 0.967 419 R CA -0.802 55.268 56.100 -0.050 0.000 0.933 419 R CB 1.045 31.318 30.300 -0.045 0.000 1.146 419 R HN 0.698 nan 8.270 nan 0.000 0.468 420 I N 2.900 123.356 120.570 -0.190 0.000 2.439 420 I HA 0.334 4.504 4.170 0.000 0.000 0.283 420 I C -0.174 175.911 176.117 -0.053 0.000 1.023 420 I CA -0.610 60.538 61.300 -0.252 0.000 1.100 420 I CB 1.400 39.101 38.000 -0.500 0.000 1.238 420 I HN 0.035 nan 8.210 nan 0.000 0.445 421 K N 5.727 126.197 120.400 0.116 0.000 2.375 421 K HA 0.501 4.822 4.320 0.000 0.000 0.249 421 K C -0.799 175.947 176.600 0.243 0.000 0.942 421 K CA -0.807 55.562 56.287 0.136 0.000 0.806 421 K CB 2.690 35.255 32.500 0.108 0.000 1.227 421 K HN 0.523 nan 8.250 nan 0.000 0.430 422 Q N 1.586 121.486 119.800 0.167 0.000 2.259 422 Q HA 0.456 4.796 4.340 0.000 0.000 0.246 422 Q C -0.267 175.838 176.000 0.176 0.000 0.920 422 Q CA -0.231 55.705 55.803 0.222 0.000 0.895 422 Q CB 1.083 29.901 28.738 0.133 0.000 1.220 422 Q HN 0.453 nan 8.270 nan 0.000 0.439 423 I N 3.255 123.971 120.570 0.243 0.000 2.649 423 I HA 0.076 4.246 4.170 0.000 0.000 0.275 423 I C 0.236 176.262 176.117 -0.153 0.000 1.153 423 I CA -0.211 61.116 61.300 0.044 0.000 1.069 423 I CB 0.954 38.925 38.000 -0.048 0.000 1.227 423 I HN 0.578 nan 8.210 nan 0.000 0.505 424 I N 3.973 124.222 120.570 -0.535 0.000 2.286 424 I HA -0.284 3.886 4.170 0.000 0.000 0.248 424 I C 2.551 178.386 176.117 -0.469 0.000 1.115 424 I CA 1.440 62.072 61.300 -1.113 0.000 1.392 424 I CB -0.419 37.017 38.000 -0.940 0.000 1.065 424 I HN 0.671 nan 8.210 nan 0.000 0.418 425 N N 0.503 119.078 118.700 -0.208 0.000 2.519 425 N HA -0.191 4.549 4.740 0.000 0.000 0.186 425 N C 1.471 177.024 175.510 0.072 0.000 1.062 425 N CA 1.051 54.070 53.050 -0.052 0.000 0.910 425 N CB -0.206 38.252 38.487 -0.049 0.000 0.958 425 N HN 0.344 nan 8.380 nan 0.000 0.445 426 M N -0.538 119.148 119.600 0.144 0.000 2.428 426 M HA 0.133 4.613 4.480 0.000 0.000 0.239 426 M C -0.389 176.218 176.300 0.513 0.000 1.121 426 M CA -0.148 55.346 55.300 0.322 0.000 1.019 426 M CB -0.191 32.621 32.600 0.355 0.000 1.485 426 M HN 0.062 nan 8.290 nan 0.000 0.484 427 W N 0.473 121.880 121.300 0.178 0.000 2.150 427 W HA 0.091 4.751 4.660 0.000 0.000 0.341 427 W C 0.583 177.194 176.519 0.155 0.000 1.276 427 W CA -1.289 56.143 57.345 0.145 0.000 1.238 427 W CB -0.038 29.472 29.460 0.083 0.000 1.128 427 W HN 0.041 nan 8.180 nan 0.000 0.581 428 c N 4.309 123.130 118.600 0.367 0.000 2.633 428 c HA 0.166 4.736 4.570 0.000 0.000 0.415 428 c C 0.386 174.645 174.090 0.281 0.000 1.393 428 c CA -0.094 56.421 56.329 0.310 0.000 1.700 428 c CB -1.413 41.317 42.510 0.366 0.000 2.541 428 c HN 0.500 nan 8.230 nan 0.000 0.603 429 K N 5.027 125.553 120.400 0.208 0.000 2.626 429 K HA 0.463 4.784 4.320 0.000 0.000 0.223 429 K C -1.024 175.644 176.600 0.114 0.000 0.992 429 K CA -0.329 56.057 56.287 0.164 0.000 1.024 429 K CB 1.160 33.747 32.500 0.145 0.000 1.225 429 K HN 0.582 nan 8.250 nan 0.000 0.498 430 V N 4.993 124.969 119.914 0.103 0.000 2.318 430 V HA 0.737 4.857 4.120 0.000 0.000 0.271 430 V C 0.626 176.752 176.094 0.052 0.000 1.030 430 V CA 1.043 63.381 62.300 0.064 0.000 0.844 430 V CB -0.169 31.683 31.823 0.048 0.000 1.015 430 V HN 0.989 nan 8.190 nan 0.000 0.460 431 G N 6.160 114.985 108.800 0.043 0.000 2.561 431 G HA2 -0.400 3.560 3.960 0.000 0.000 0.289 431 G HA3 -0.400 3.560 3.960 0.000 0.000 0.289 431 G C 0.918 175.844 174.900 0.045 0.000 1.169 431 G CA 0.777 45.898 45.100 0.035 0.000 0.980 431 G HN 1.125 nan 8.290 nan 0.000 0.550 432 K N 0.131 120.556 120.400 0.041 0.000 2.228 432 K HA 0.141 4.462 4.320 0.000 0.000 0.202 432 K C 1.038 177.675 176.600 0.062 0.000 1.051 432 K CA 0.631 56.946 56.287 0.046 0.000 0.960 432 K CB -0.154 32.368 32.500 0.036 0.000 0.743 432 K HN 0.391 nan 8.250 nan 0.000 0.458 433 M N 1.607 121.248 119.600 0.069 0.000 2.211 433 M HA 0.222 4.702 4.480 0.000 0.000 0.356 433 M C -0.203 176.175 176.300 0.130 0.000 1.216 433 M CA 0.021 55.375 55.300 0.090 0.000 1.134 433 M CB 1.070 33.716 32.600 0.076 0.000 1.564 433 M HN 0.118 nan 8.290 nan 0.000 0.463 434 M N 3.392 123.090 119.600 0.165 0.000 2.364 434 M HA 0.331 4.812 4.480 0.000 0.000 0.334 434 M C -1.780 174.687 176.300 0.277 0.000 1.107 434 M CA -0.688 54.752 55.300 0.234 0.000 0.988 434 M CB 1.763 34.517 32.600 0.257 0.000 1.673 434 M HN 0.570 nan 8.290 nan 0.000 0.441 435 Y N 4.269 124.644 120.300 0.124 0.000 2.434 435 Y HA 0.652 5.202 4.550 0.000 0.000 0.341 435 Y C -0.895 174.920 175.900 -0.142 0.000 0.965 435 Y CA -1.405 56.713 58.100 0.029 0.000 1.205 435 Y CB 0.696 39.183 38.460 0.045 0.000 1.121 435 Y HN 0.717 nan 8.280 nan 0.000 0.507 436 A N 9.256 131.835 122.820 -0.402 0.000 2.347 436 A HA 0.527 4.847 4.320 0.000 0.000 0.287 436 A C -2.464 174.433 177.584 -1.145 0.000 1.199 436 A CA -1.388 50.078 52.037 -0.951 0.000 0.851 436 A CB -0.530 18.184 19.000 -0.476 0.000 1.118 436 A HN 0.653 nan 8.150 nan 0.000 0.525 437 P HA 0.318 nan 4.420 nan 0.000 0.272 437 P C -2.462 174.267 177.300 -0.952 0.000 1.240 437 P CA -1.108 61.274 63.100 -1.196 0.000 0.791 437 P CB -0.305 30.667 31.700 -1.213 0.000 0.978 438 P HA -0.021 nan 4.420 nan 0.000 0.269 438 P C 0.577 177.466 177.300 -0.686 0.000 1.211 438 P CA 0.283 62.789 63.100 -0.989 0.000 0.781 438 P CB 0.166 31.063 31.700 -1.338 0.000 0.877 439 I N -0.618 119.650 120.570 -0.503 0.000 2.277 439 I HA -0.101 4.069 4.170 0.000 0.000 0.243 439 I C 1.545 177.533 176.117 -0.215 0.000 1.094 439 I CA 1.787 62.909 61.300 -0.296 0.000 1.393 439 I CB -0.650 37.231 38.000 -0.198 0.000 1.078 439 I HN 0.321 nan 8.210 nan 0.000 0.417 440 S N -1.648 113.936 115.700 -0.194 0.000 6.848 440 S HA 0.157 4.627 4.470 0.000 0.000 0.083 440 S C 1.533 176.082 174.600 -0.084 0.000 1.436 440 S CA 0.072 58.200 58.200 -0.120 0.000 1.070 440 S CB -1.100 62.059 63.200 -0.069 0.000 1.519 440 S HN 0.275 nan 8.310 nan 0.000 0.563 441 G N 1.436 110.209 108.800 -0.045 0.000 2.564 441 G HA2 -0.188 3.772 3.960 0.000 0.000 0.216 441 G HA3 -0.188 3.772 3.960 0.000 0.000 0.216 441 G C 1.082 175.976 174.900 -0.010 0.000 1.124 441 G CA 1.556 46.647 45.100 -0.017 0.000 0.764 441 G HN 0.373 nan 8.290 nan 0.000 0.550 442 Q N 0.251 120.024 119.800 -0.045 0.000 1.956 442 Q HA -0.004 4.336 4.340 0.000 0.000 0.208 442 Q C 1.243 177.257 176.000 0.024 0.000 0.998 442 Q CA 0.984 56.776 55.803 -0.018 0.000 0.855 442 Q CB -0.241 28.363 28.738 -0.224 0.000 0.928 442 Q HN 0.505 nan 8.270 nan 0.000 0.418 443 I N 0.968 121.466 120.570 -0.119 0.000 2.519 443 I HA 0.118 4.289 4.170 0.000 0.000 0.287 443 I C 0.441 176.540 176.117 -0.030 0.000 1.047 443 I CA -0.313 60.935 61.300 -0.087 0.000 1.381 443 I CB 0.965 38.784 38.000 -0.301 0.000 1.417 443 I HN 0.098 nan 8.210 nan 0.000 0.540 444 R N 5.427 125.939 120.500 0.021 0.000 2.308 444 R HA 0.306 4.646 4.340 0.000 0.000 0.325 444 R C -0.791 175.502 176.300 -0.013 0.000 1.161 444 R CA -0.525 55.582 56.100 0.012 0.000 1.022 444 R CB 0.176 30.493 30.300 0.028 0.000 1.091 444 R HN 0.720 nan 8.270 nan 0.000 0.497 445 c N 2.503 121.078 118.600 -0.042 0.000 2.727 445 c HA 0.200 4.770 4.570 0.000 0.000 0.401 445 c C 0.293 174.327 174.090 -0.094 0.000 1.294 445 c CA 0.315 56.581 56.329 -0.105 0.000 2.134 445 c CB 0.226 42.627 42.510 -0.180 0.000 2.724 445 c HN 1.068 nan 8.230 nan 0.000 0.677 446 S N 1.109 116.723 115.700 -0.143 0.000 2.813 446 S HA 0.053 4.523 4.470 0.000 0.000 0.857 446 S C -0.635 173.891 174.600 -0.123 0.000 0.865 446 S CA 0.046 58.164 58.200 -0.136 0.000 1.493 446 S CB -1.325 61.831 63.200 -0.073 0.000 1.073 446 S HN 2.071 nan 8.310 nan 0.000 0.228 447 S N 2.789 118.394 115.700 -0.157 0.000 3.341 447 S HA 0.759 5.229 4.470 0.000 0.000 0.326 447 S C -1.131 173.403 174.600 -0.110 0.000 1.178 447 S CA -1.048 57.076 58.200 -0.128 0.000 1.002 447 S CB 0.781 63.885 63.200 -0.161 0.000 1.385 447 S HN 0.958 nan 8.310 nan 0.000 0.710 448 N N 0.682 119.323 118.700 -0.098 0.000 2.399 448 N HA 0.484 5.225 4.740 0.000 0.000 0.280 448 N C -1.218 174.246 175.510 -0.076 0.000 1.008 448 N CA -0.336 52.671 53.050 -0.073 0.000 0.894 448 N CB 1.549 40.008 38.487 -0.048 0.000 1.273 448 N HN 0.542 nan 8.380 nan 0.000 0.486 449 I N 1.612 122.144 120.570 -0.063 0.000 2.471 449 I HA 0.045 4.215 4.170 0.000 0.000 0.286 449 I C 1.539 177.650 176.117 -0.010 0.000 1.079 449 I CA 0.243 61.519 61.300 -0.041 0.000 1.398 449 I CB 0.610 38.613 38.000 0.005 0.000 1.403 449 I HN 0.589 nan 8.210 nan 0.000 0.530 450 T N 0.752 115.296 114.554 -0.017 0.000 3.016 450 T HA 0.401 4.752 4.350 0.000 0.000 0.271 450 T C 0.407 175.102 174.700 -0.009 0.000 0.968 450 T CA -0.054 62.037 62.100 -0.015 0.000 0.891 450 T CB 0.658 69.513 68.868 -0.021 0.000 1.149 450 T HN 0.740 nan 8.240 nan 0.000 0.524 451 G N 0.575 109.378 108.800 0.005 0.000 2.649 451 G HA2 0.637 4.597 3.960 0.000 0.000 0.290 451 G HA3 0.637 4.597 3.960 0.000 0.000 0.290 451 G C -2.345 172.584 174.900 0.049 0.000 1.426 451 G CA -0.837 44.273 45.100 0.016 0.000 0.794 451 G HN 0.240 nan 8.290 nan 0.000 0.483 452 L N -1.101 120.162 121.223 0.067 0.000 2.359 452 L HA 0.686 5.026 4.340 0.000 0.000 0.256 452 L C -0.551 176.384 176.870 0.109 0.000 1.026 452 L CA -0.586 54.325 54.840 0.120 0.000 0.828 452 L CB 2.312 44.471 42.059 0.167 0.000 1.406 452 L HN 0.429 nan 8.230 nan 0.000 0.413 453 L N 2.548 123.842 121.223 0.118 0.000 2.417 453 L HA 0.504 4.844 4.340 0.000 0.000 0.259 453 L C -1.053 175.876 176.870 0.097 0.000 1.023 453 L CA -0.128 54.772 54.840 0.100 0.000 0.901 453 L CB 0.796 42.906 42.059 0.086 0.000 1.227 453 L HN 0.351 nan 8.230 nan 0.000 0.454 454 L N 1.980 123.290 121.223 0.145 0.000 2.360 454 L HA 0.683 5.023 4.340 0.000 0.000 0.271 454 L C 0.369 177.348 176.870 0.181 0.000 1.057 454 L CA -0.502 54.455 54.840 0.194 0.000 0.803 454 L CB 1.848 44.107 42.059 0.333 0.000 1.207 454 L HN 0.468 nan 8.230 nan 0.000 0.445 455 T N -1.214 113.435 114.554 0.158 0.000 2.881 455 T HA 0.460 4.811 4.350 0.000 0.000 0.290 455 T C -0.533 174.176 174.700 0.016 0.000 1.000 455 T CA -0.940 61.211 62.100 0.085 0.000 0.978 455 T CB 2.034 70.920 68.868 0.030 0.000 0.997 455 T HN 0.525 nan 8.240 nan 0.000 0.443 456 R N 1.405 121.852 120.500 -0.089 0.000 2.404 456 R HA 0.358 4.698 4.340 0.000 0.000 0.291 456 R C -1.018 175.105 176.300 -0.296 0.000 1.025 456 R CA -0.600 55.257 56.100 -0.406 0.000 0.991 456 R CB 0.515 30.506 30.300 -0.515 0.000 1.053 456 R HN 0.626 nan 8.270 nan 0.000 0.479 457 D N 2.277 122.461 120.400 -0.359 0.000 2.325 457 D HA 0.208 4.848 4.640 0.000 0.000 0.251 457 D C 0.343 176.520 176.300 -0.206 0.000 1.196 457 D CA 0.262 54.132 54.000 -0.216 0.000 0.866 457 D CB 1.655 42.350 40.800 -0.175 0.000 1.101 457 D HN 0.662 nan 8.370 nan 0.000 0.476 458 G N 0.738 109.461 108.800 -0.129 0.000 2.695 458 G HA2 0.585 4.545 3.960 0.000 0.000 0.213 458 G HA3 0.585 4.545 3.960 0.000 0.000 0.213 458 G C 0.724 175.586 174.900 -0.065 0.000 1.406 458 G CA 0.059 45.103 45.100 -0.093 0.000 1.049 458 G HN 0.712 nan 8.290 nan 0.000 0.573 459 G N 0.209 108.986 108.800 -0.038 0.000 2.543 459 G HA2 -0.343 3.617 3.960 0.000 0.000 0.286 459 G HA3 -0.343 3.617 3.960 0.000 0.000 0.286 459 G C 0.930 175.815 174.900 -0.024 0.000 1.153 459 G CA 0.624 45.708 45.100 -0.026 0.000 0.968 459 G HN 1.015 nan 8.290 nan 0.000 0.544 460 N N 1.796 120.482 118.700 -0.024 0.000 2.509 460 N HA 0.247 4.988 4.740 0.000 0.000 0.239 460 N C 1.257 176.751 175.510 -0.027 0.000 1.215 460 N CA 1.144 54.183 53.050 -0.019 0.000 0.882 460 N CB -0.128 38.350 38.487 -0.014 0.000 1.189 460 N HN 0.501 nan 8.380 nan 0.000 0.490 461 S N -0.360 115.315 115.700 -0.041 0.000 2.602 461 S HA 0.170 4.640 4.470 0.000 0.000 0.240 461 S C 0.075 174.645 174.600 -0.050 0.000 0.992 461 S CA -0.544 57.621 58.200 -0.058 0.000 0.971 461 S CB -0.226 62.913 63.200 -0.102 0.000 0.855 461 S HN 0.259 nan 8.310 nan 0.000 0.481 462 N N 2.134 120.820 118.700 -0.024 0.000 2.801 462 N HA 0.461 5.201 4.740 0.000 0.000 0.235 462 N C -0.072 175.443 175.510 0.008 0.000 1.069 462 N CA -0.042 53.006 53.050 -0.003 0.000 0.946 462 N CB -0.304 38.189 38.487 0.010 0.000 1.212 462 N HN 0.553 nan 8.380 nan 0.000 0.509 463 N N 0.281 118.988 118.700 0.011 0.000 2.623 463 N HA -0.035 4.705 4.740 0.000 0.000 0.386 463 N C 0.067 175.592 175.510 0.025 0.000 0.622 463 N CA -0.373 52.688 53.050 0.019 0.000 1.879 463 N CB 0.257 38.752 38.487 0.012 0.000 0.906 463 N HN 0.096 nan 8.380 nan 0.000 1.937 464 E N 1.046 121.258 120.200 0.020 0.000 2.274 464 E HA 0.035 4.385 4.350 0.000 0.000 0.194 464 E C -0.159 176.464 176.600 0.038 0.000 0.996 464 E CA 0.965 57.381 56.400 0.027 0.000 0.840 464 E CB 0.335 30.048 29.700 0.021 0.000 0.772 464 E HN 0.406 nan 8.360 nan 0.000 0.491 465 S N -0.709 115.008 115.700 0.028 0.000 2.633 465 S HA 0.353 4.823 4.470 0.000 0.000 0.271 465 S C -1.015 173.581 174.600 -0.008 0.000 1.112 465 S CA -1.079 57.141 58.200 0.032 0.000 0.828 465 S CB 2.159 65.376 63.200 0.029 0.000 1.086 465 S HN -0.149 nan 8.310 nan 0.000 0.461 466 E N 0.544 120.739 120.200 -0.008 0.000 2.227 466 E HA 0.595 4.945 4.350 0.000 0.000 0.268 466 E C -0.951 175.568 176.600 -0.134 0.000 0.907 466 E CA -0.650 55.669 56.400 -0.134 0.000 0.786 466 E CB 2.110 31.701 29.700 -0.181 0.000 1.191 466 E HN 0.658 nan 8.360 nan 0.000 0.411 467 I N 2.722 123.095 120.570 -0.329 0.000 2.436 467 I HA 0.343 4.513 4.170 0.000 0.000 0.289 467 I C -0.927 174.953 176.117 -0.396 0.000 1.010 467 I CA -0.659 60.520 61.300 -0.200 0.000 1.098 467 I CB 0.832 38.769 38.000 -0.106 0.000 1.266 467 I HN 0.281 nan 8.210 nan 0.000 0.434 468 F N 5.132 125.049 119.950 -0.056 0.000 2.495 468 F HA 0.618 5.145 4.527 0.000 0.000 0.327 468 F C 0.188 176.082 175.800 0.156 0.000 1.103 468 F CA -0.680 57.348 58.000 0.046 0.000 0.949 468 F CB 1.603 40.661 39.000 0.098 0.000 1.142 468 F HN 0.241 nan 8.300 nan 0.000 0.457 469 R N 1.905 122.539 120.500 0.222 0.000 2.807 469 R HA 0.512 4.852 4.340 0.000 0.000 0.276 469 R C -2.925 173.335 176.300 -0.068 0.000 0.979 469 R CA -2.273 53.877 56.100 0.082 0.000 0.928 469 R CB 1.746 32.063 30.300 0.028 0.000 1.191 469 R HN 0.233 nan 8.270 nan 0.000 0.471 470 P HA 0.043 nan 4.420 nan 0.000 0.267 470 P C -0.405 176.799 177.300 -0.161 0.000 1.205 470 P CA 0.233 63.030 63.100 -0.504 0.000 0.765 470 P CB 0.925 32.097 31.700 -0.881 0.000 0.828 471 G N 1.378 110.144 108.800 -0.056 0.000 3.302 471 G HA2 0.685 4.645 3.960 0.000 0.000 0.170 471 G HA3 0.685 4.645 3.960 0.000 0.000 0.170 471 G C 0.173 175.105 174.900 0.052 0.000 1.119 471 G CA -0.279 44.828 45.100 0.010 0.000 0.826 471 G HN 0.771 nan 8.290 nan 0.000 0.646 472 G N -1.489 107.349 108.800 0.062 0.000 2.512 472 G HA2 0.330 4.290 3.960 0.000 0.000 0.240 472 G HA3 0.330 4.290 3.960 0.000 0.000 0.240 472 G C 1.419 176.382 174.900 0.105 0.000 1.246 472 G CA 1.466 46.618 45.100 0.088 0.000 0.919 472 G HN 2.587 nan 8.290 nan 0.000 0.577 473 G N -1.167 107.731 108.800 0.163 0.000 2.225 473 G HA2 -0.062 3.898 3.960 0.000 0.000 0.254 473 G HA3 -0.062 3.898 3.960 0.000 0.000 0.254 473 G C 0.228 175.222 174.900 0.156 0.000 0.988 473 G CA 1.401 46.613 45.100 0.185 0.000 0.625 473 G HN 1.934 nan 8.290 nan 0.000 0.527 474 D N 0.659 121.125 120.400 0.111 0.000 2.454 474 D HA 0.559 5.199 4.640 0.000 0.000 0.225 474 D C 1.743 178.077 176.300 0.056 0.000 1.081 474 D CA -0.773 53.273 54.000 0.076 0.000 0.864 474 D CB 0.276 41.099 40.800 0.037 0.000 1.040 474 D HN -0.044 nan 8.370 nan 0.000 0.517 475 M N 2.755 122.390 119.600 0.058 0.000 2.374 475 M HA -0.034 4.446 4.480 0.000 0.000 0.264 475 M C 1.652 177.931 176.300 -0.034 0.000 1.067 475 M CA 0.868 56.188 55.300 0.033 0.000 1.103 475 M CB -0.373 32.323 32.600 0.161 0.000 1.402 475 M HN 0.390 nan 8.290 nan 0.000 0.444 476 R N 0.307 120.707 120.500 -0.167 0.000 2.096 476 R HA -0.146 4.195 4.340 0.000 0.000 0.235 476 R C 1.709 178.036 176.300 0.044 0.000 1.127 476 R CA 1.292 57.341 56.100 -0.086 0.000 0.968 476 R CB -0.225 30.002 30.300 -0.123 0.000 0.861 476 R HN 0.330 nan 8.270 nan 0.000 0.440 477 D N 0.047 120.456 120.400 0.014 0.000 2.144 477 D HA -0.123 4.518 4.640 0.000 0.000 0.199 477 D C 1.362 177.707 176.300 0.075 0.000 0.984 477 D CA 1.182 55.202 54.000 0.034 0.000 0.834 477 D CB -0.301 40.512 40.800 0.022 0.000 0.955 477 D HN 0.176 nan 8.370 nan 0.000 0.465 478 N N -0.063 118.656 118.700 0.032 0.000 2.043 478 N HA -0.155 4.586 4.740 0.000 0.000 0.193 478 N C 1.643 177.131 175.510 -0.038 0.000 1.037 478 N CA 1.069 54.091 53.050 -0.047 0.000 0.851 478 N CB -0.450 37.931 38.487 -0.175 0.000 1.027 478 N HN 0.320 nan 8.380 nan 0.000 0.422 479 W N 1.293 122.619 121.300 0.042 0.000 2.342 479 W HA -0.020 4.640 4.660 0.000 0.000 0.297 479 W C 2.399 178.992 176.519 0.123 0.000 1.213 479 W CA 0.634 58.017 57.345 0.063 0.000 1.251 479 W CB -0.124 29.352 29.460 0.027 0.000 1.136 479 W HN 0.023 nan 8.180 nan 0.000 0.526 480 R N 0.376 121.089 120.500 0.355 0.000 2.120 480 R HA -0.175 4.165 4.340 0.000 0.000 0.234 480 R C 2.429 179.027 176.300 0.496 0.000 1.123 480 R CA 1.742 58.090 56.100 0.413 0.000 0.975 480 R CB -0.850 29.628 30.300 0.298 0.000 0.866 480 R HN 0.233 nan 8.270 nan 0.000 0.446 481 S N 0.558 116.467 115.700 0.347 0.000 2.420 481 S HA -0.155 4.315 4.470 0.000 0.000 0.237 481 S C 1.494 176.320 174.600 0.376 0.000 1.023 481 S CA 1.212 59.588 58.200 0.292 0.000 0.991 481 S CB 0.011 63.301 63.200 0.149 0.000 0.792 481 S HN 0.286 nan 8.310 nan 0.000 0.488 482 E N 0.347 120.760 120.200 0.355 0.000 2.413 482 E HA 0.304 4.654 4.350 0.000 0.000 0.203 482 E C 1.399 178.200 176.600 0.334 0.000 0.957 482 E CA 0.196 56.813 56.400 0.361 0.000 0.950 482 E CB 0.132 30.006 29.700 0.290 0.000 0.957 482 E HN 0.532 nan 8.360 nan 0.000 0.497 483 L N 1.487 122.912 121.223 0.338 0.000 2.700 483 L HA 0.116 4.456 4.340 0.000 0.000 0.234 483 L C 1.784 178.773 176.870 0.199 0.000 1.156 483 L CA -0.155 54.862 54.840 0.295 0.000 0.946 483 L CB -0.282 41.934 42.059 0.261 0.000 1.216 483 L HN 0.139 nan 8.230 nan 0.000 0.493 484 Y N 0.897 121.304 120.300 0.179 0.000 2.274 484 Y HA -0.205 4.345 4.550 0.000 0.000 0.290 484 Y C 2.088 177.923 175.900 -0.109 0.000 1.145 484 Y CA 1.094 59.220 58.100 0.044 0.000 1.203 484 Y CB -0.622 37.638 38.460 -0.333 0.000 0.984 484 Y HN 0.185 nan 8.280 nan 0.000 0.533 485 K N -0.804 119.067 120.400 -0.882 0.000 2.410 485 K HA 0.167 4.488 4.320 0.000 0.000 0.200 485 K C -1.176 174.863 176.600 -0.935 0.000 1.023 485 K CA -0.240 55.518 56.287 -0.882 0.000 1.149 485 K CB -0.340 31.533 32.500 -1.046 0.000 0.859 485 K HN 0.351 nan 8.250 nan 0.000 0.514 486 Y N 1.177 121.265 120.300 -0.354 0.000 2.509 486 Y HA 0.446 4.996 4.550 0.000 0.000 0.341 486 Y C -0.361 175.500 175.900 -0.065 0.000 1.038 486 Y CA -1.052 56.931 58.100 -0.195 0.000 1.089 486 Y CB 2.157 40.548 38.460 -0.115 0.000 1.241 486 Y HN -0.122 nan 8.280 nan 0.000 0.468 487 K N 1.235 121.807 120.400 0.287 0.000 2.561 487 K HA 0.521 4.841 4.320 0.000 0.000 0.254 487 K C -2.291 174.464 176.600 0.258 0.000 0.942 487 K CA -0.709 55.767 56.287 0.315 0.000 0.818 487 K CB 2.413 35.245 32.500 0.554 0.000 1.306 487 K HN 0.551 nan 8.250 nan 0.000 0.435 488 V N 5.423 125.445 119.914 0.181 0.000 2.465 488 V HA 0.671 4.791 4.120 0.000 0.000 0.279 488 V C -0.647 175.585 176.094 0.230 0.000 1.045 488 V CA -0.073 62.342 62.300 0.191 0.000 0.938 488 V CB 1.176 33.080 31.823 0.135 0.000 0.986 488 V HN 0.551 nan 8.190 nan 0.000 0.467 489 V N 3.611 123.686 119.914 0.269 0.000 3.160 489 V HA 0.661 4.781 4.120 0.000 0.000 0.310 489 V C -0.552 175.681 176.094 0.232 0.000 1.181 489 V CA -1.389 61.053 62.300 0.236 0.000 1.047 489 V CB 1.932 33.835 31.823 0.133 0.000 1.068 489 V HN 0.803 nan 8.190 nan 0.000 0.441 490 K N 2.015 122.434 120.400 0.031 0.000 2.249 490 K HA 0.451 4.771 4.320 0.000 0.000 0.280 490 K C -0.381 176.125 176.600 -0.157 0.000 1.033 490 K CA -0.529 55.579 56.287 -0.298 0.000 0.946 490 K CB 1.571 33.841 32.500 -0.384 0.000 1.005 490 K HN 0.745 nan 8.250 nan 0.000 0.469 491 I N 5.051 125.517 120.570 -0.174 0.000 2.329 491 I HA 0.015 4.185 4.170 0.000 0.000 0.295 491 I C 0.017 176.078 176.117 -0.092 0.000 1.109 491 I CA 0.201 61.451 61.300 -0.084 0.000 1.297 491 I CB -0.063 37.910 38.000 -0.045 0.000 1.433 491 I HN 0.636 nan 8.210 nan 0.000 0.509 492 E N 0.000 120.161 120.200 -0.066 0.000 2.725 492 E HA 0.000 4.350 4.350 0.000 0.000 0.291 492 E CA 0.000 56.365 56.400 -0.058 0.000 0.976 492 E CB 0.000 29.672 29.700 -0.047 0.000 0.812 492 E HN 0.000 nan 8.360 nan 0.000 0.440