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 1jnf_1_A DATA FIRST_RESID 3 DATA SEQUENCE EKTVRWcAVN DHEASKcANF RDSMKKVLPE DGPRIIcVKK ASYLDcIKAI DATA SEQUENCE AAHEADAVTL DAGLVHEAGL TPNNLKPVVA EFYGSKENPK TFYYAVALVK DATA SEQUENCE KGSNFQLNEL QGKKScHTGL GRSAGWNIPI GLLLcDLPEP RKPLEKAVAS DATA SEQUENCE FFSGScVPcA DGADFPQLcQ LcPGcGcSSV QPYFGYSGAF KcLKDGLGDV DATA SEQUENCE AFVKQETIFE NLPSKDERDQ YELLcLDNTR KPVDEYEQcH LARVPSHAVV DATA SEQUENCE ARSVDGKEDL IWELLNQAQE HFGKDKSGDF QLFSSPHGKN LLFKDSAYGF DATA SEQUENCE FKVPPRMDAN LYLGYEYVTA VRNLREGIcP DPLQDEcKAV KWcALGHHER DATA SEQUENCE LKcDEWSVTS GGLIEcESAE TPEDcIAKIM NGEADAMSLD GGYVYIAGQc DATA SEQUENCE GLVPVLAENY ESTDcKKAPE EGYLSVAVVK KSNPDINWNN LEGKKScHTA DATA SEQUENCE VDRTAGWNIP MGLLYNRINH cRFDEFFRQG cAPGSQKNSS LcELcVGPSV DATA SEQUENCE cAPNNREGYY GYTGAFRcLV EKGDVAFVKS QTVLQNTGGR NSEPWAKDLK DATA SEQUENCE EEDFELLcLD GTRKPVSEAH NcHLAKAPNH AVVSRKDKAA cVKQKLLDLQ DATA SEQUENCE VEFGNTVADc SSKFcMFHSK TKDLLFRDDT KcLVDLRGKN TYEKYLGADY DATA SEQUENCE IKAVSNLRKc STSRLLEAcT FHKH 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 3 E HA 0.000 nan 4.350 nan 0.000 0.291 3 E C 0.000 176.601 176.600 0.002 0.000 1.382 3 E CA 0.000 56.398 56.400 -0.003 0.000 0.976 3 E CB 0.000 29.696 29.700 -0.006 0.000 0.812 4 K N 2.315 122.716 120.400 0.001 0.000 2.273 4 K HA 0.520 4.841 4.320 0.000 0.000 0.287 4 K C -0.606 175.997 176.600 0.004 0.000 1.089 4 K CA 0.336 56.627 56.287 0.007 0.000 0.909 4 K CB 0.881 33.387 32.500 0.010 0.000 1.123 4 K HN 0.612 nan 8.250 nan 0.000 0.473 5 T N -1.541 113.019 114.554 0.011 0.000 2.856 5 T HA 0.431 4.781 4.350 0.000 0.000 0.283 5 T C -0.158 174.560 174.700 0.030 0.000 1.008 5 T CA -0.888 61.219 62.100 0.012 0.000 0.997 5 T CB 1.440 70.313 68.868 0.009 0.000 0.992 5 T HN 0.117 nan 8.240 nan 0.000 0.454 6 V N 3.609 123.551 119.914 0.047 0.000 2.347 6 V HA 0.426 4.546 4.120 0.000 0.000 0.280 6 V C 0.477 176.636 176.094 0.108 0.000 1.021 6 V CA -0.956 61.397 62.300 0.089 0.000 0.847 6 V CB 0.931 32.852 31.823 0.163 0.000 0.990 6 V HN 0.828 nan 8.190 nan 0.000 0.444 7 R N 4.594 125.133 120.500 0.065 0.000 2.272 7 R HA 0.165 4.505 4.340 0.000 0.000 0.334 7 R C -0.632 175.712 176.300 0.073 0.000 1.117 7 R CA -0.263 55.875 56.100 0.063 0.000 0.966 7 R CB 0.792 31.100 30.300 0.014 0.000 1.049 7 R HN 0.701 nan 8.270 nan 0.000 0.477 8 W N 4.656 125.969 121.300 0.021 0.000 2.351 8 W HA 0.176 4.837 4.660 0.000 0.000 0.311 8 W C -0.538 175.996 176.519 0.026 0.000 1.168 8 W CA -1.071 56.302 57.345 0.048 0.000 1.200 8 W CB 1.425 30.948 29.460 0.105 0.000 1.221 8 W HN 0.445 nan 8.180 nan 0.000 0.519 9 c N 6.755 125.251 118.600 -0.174 0.000 2.281 9 c HA 0.680 5.250 4.570 0.000 0.000 0.336 9 c C 0.475 174.667 174.090 0.169 0.000 1.217 9 c CA -0.277 56.046 56.329 -0.010 0.000 1.730 9 c CB -1.287 41.147 42.510 -0.127 0.000 2.338 9 c HN 0.575 nan 8.230 nan 0.000 0.521 10 A N 5.407 128.337 122.820 0.183 0.000 2.301 10 A HA 0.607 4.927 4.320 0.000 0.000 0.298 10 A C -0.292 177.324 177.584 0.053 0.000 1.185 10 A CA -0.298 51.826 52.037 0.146 0.000 0.830 10 A CB 0.655 19.721 19.000 0.109 0.000 1.112 10 A HN 0.800 nan 8.150 nan 0.000 0.508 11 V N 5.523 125.460 119.914 0.038 0.000 2.322 11 V HA 0.219 4.340 4.120 0.000 0.000 0.258 11 V C 0.565 176.611 176.094 -0.079 0.000 1.074 11 V CA -0.160 62.130 62.300 -0.017 0.000 0.909 11 V CB -1.174 30.649 31.823 -0.001 0.000 1.090 11 V HN 1.097 nan 8.190 nan 0.000 0.486 12 N N 3.314 121.959 118.700 -0.092 0.000 6.681 12 N HA -0.188 4.552 4.740 0.000 0.000 0.407 12 N C 0.626 176.042 175.510 -0.157 0.000 0.934 12 N CA 1.011 53.977 53.050 -0.139 0.000 1.206 12 N CB -0.191 38.178 38.487 -0.197 0.000 0.835 12 N HN 0.597 nan 8.380 nan 0.000 0.310 13 D N 0.005 120.259 120.400 -0.244 0.000 2.084 13 D HA -0.074 4.566 4.640 0.000 0.000 0.194 13 D C 1.478 177.664 176.300 -0.191 0.000 0.990 13 D CA 2.098 55.954 54.000 -0.239 0.000 0.826 13 D CB -0.459 40.156 40.800 -0.309 0.000 0.971 13 D HN 0.579 nan 8.370 nan 0.000 0.453 14 H N 0.394 119.419 119.070 -0.074 0.000 2.421 14 H HA 0.018 4.574 4.556 0.000 0.000 0.298 14 H C 1.951 177.223 175.328 -0.093 0.000 1.087 14 H CA 0.842 56.838 56.048 -0.086 0.000 1.330 14 H CB 0.192 29.954 29.762 0.001 0.000 1.388 14 H HN 0.212 nan 8.280 nan 0.000 0.526 15 E N 0.678 120.899 120.200 0.035 0.000 2.106 15 E HA -0.129 4.221 4.350 0.000 0.000 0.192 15 E C 2.514 179.106 176.600 -0.012 0.000 0.984 15 E CA 0.577 56.987 56.400 0.016 0.000 0.806 15 E CB -0.037 29.678 29.700 0.024 0.000 0.750 15 E HN 0.497 nan 8.360 nan 0.000 0.458 16 A N 0.981 123.780 122.820 -0.035 0.000 1.908 16 A HA -0.197 4.123 4.320 0.000 0.000 0.218 16 A C 2.352 179.894 177.584 -0.071 0.000 1.181 16 A CA 1.786 53.800 52.037 -0.039 0.000 0.627 16 A CB -0.420 18.549 19.000 -0.052 0.000 0.818 16 A HN 0.121 nan 8.150 nan 0.000 0.445 17 S N -0.738 114.875 115.700 -0.145 0.000 2.368 17 S HA -0.106 4.364 4.470 0.000 0.000 0.224 17 S C 1.996 176.511 174.600 -0.142 0.000 1.029 17 S CA 1.335 59.397 58.200 -0.231 0.000 0.988 17 S CB -0.195 62.638 63.200 -0.612 0.000 0.838 17 S HN 0.627 nan 8.310 nan 0.000 0.462 18 K N 0.543 120.893 120.400 -0.082 0.000 2.097 18 K HA -0.106 4.215 4.320 0.000 0.000 0.205 18 K C 2.444 179.079 176.600 0.058 0.000 1.050 18 K CA 1.064 57.388 56.287 0.062 0.000 0.938 18 K CB -0.390 32.151 32.500 0.067 0.000 0.718 18 K HN 0.428 nan 8.250 nan 0.000 0.442 19 c N 0.640 119.251 118.600 0.018 0.000 2.425 19 c HA -0.040 4.531 4.570 0.000 0.000 0.277 19 c C 2.748 176.855 174.090 0.027 0.000 1.280 19 c CA 1.190 57.555 56.329 0.060 0.000 1.744 19 c CB -0.901 41.646 42.510 0.062 0.000 1.989 19 c HN 0.560 nan 8.230 nan 0.000 0.491 20 A N 0.897 123.701 122.820 -0.026 0.000 1.898 20 A HA -0.133 4.187 4.320 0.000 0.000 0.216 20 A C 1.980 179.490 177.584 -0.124 0.000 1.181 20 A CA 2.016 54.012 52.037 -0.068 0.000 0.620 20 A CB -0.721 18.246 19.000 -0.056 0.000 0.819 20 A HN 0.703 nan 8.150 nan 0.000 0.442 21 N N -0.788 117.847 118.700 -0.108 0.000 2.166 21 N HA -0.137 4.604 4.740 0.000 0.000 0.186 21 N C 1.400 176.540 175.510 -0.616 0.000 1.019 21 N CA 1.351 54.271 53.050 -0.217 0.000 0.856 21 N CB -0.605 37.877 38.487 -0.008 0.000 0.993 21 N HN 0.484 nan 8.380 nan 0.000 0.426 22 F N 2.607 122.076 119.950 -0.801 0.000 2.051 22 F HA -0.086 4.442 4.527 0.000 0.000 0.296 22 F C 2.482 177.909 175.800 -0.622 0.000 1.122 22 F CA 1.310 58.690 58.000 -1.033 0.000 1.201 22 F CB -0.697 38.041 39.000 -0.437 0.000 0.978 22 F HN -0.077 nan 8.300 nan 0.000 0.472 23 R N 0.227 120.441 120.500 -0.477 0.000 2.115 23 R HA -0.226 4.114 4.340 0.000 0.000 0.239 23 R C 1.946 178.045 176.300 -0.336 0.000 1.133 23 R CA 2.427 58.283 56.100 -0.407 0.000 0.935 23 R CB -0.670 29.490 30.300 -0.234 0.000 0.853 23 R HN 0.265 nan 8.270 nan 0.000 0.433 24 D N -0.548 119.677 120.400 -0.292 0.000 2.144 24 D HA -0.060 4.580 4.640 0.000 0.000 0.200 24 D C 1.994 178.151 176.300 -0.239 0.000 0.978 24 D CA 1.139 55.007 54.000 -0.221 0.000 0.833 24 D CB -0.153 40.540 40.800 -0.178 0.000 0.961 24 D HN 0.156 nan 8.370 nan 0.000 0.470 25 S N 0.062 115.534 115.700 -0.380 0.000 2.357 25 S HA -0.072 4.398 4.470 0.000 0.000 0.221 25 S C 1.917 176.432 174.600 -0.142 0.000 1.031 25 S CA 0.676 58.664 58.200 -0.354 0.000 0.982 25 S CB -0.001 62.698 63.200 -0.835 0.000 0.853 25 S HN 0.166 nan 8.310 nan 0.000 0.458 26 M N 1.621 121.093 119.600 -0.213 0.000 2.108 26 M HA -0.077 4.403 4.480 0.000 0.000 0.261 26 M C 2.046 178.272 176.300 -0.123 0.000 1.066 26 M CA 1.449 56.683 55.300 -0.109 0.000 1.107 26 M CB -1.263 31.168 32.600 -0.282 0.000 1.356 26 M HN 0.238 nan 8.290 nan 0.000 0.406 27 K N 0.475 120.784 120.400 -0.153 0.000 2.074 27 K HA -0.208 4.113 4.320 0.000 0.000 0.209 27 K C 1.945 178.494 176.600 -0.086 0.000 1.048 27 K CA 1.585 57.803 56.287 -0.116 0.000 0.926 27 K CB 0.058 32.490 32.500 -0.113 0.000 0.713 27 K HN 0.293 nan 8.250 nan 0.000 0.444 28 K N 0.004 120.362 120.400 -0.070 0.000 2.026 28 K HA -0.130 4.190 4.320 0.000 0.000 0.208 28 K C 1.988 178.547 176.600 -0.068 0.000 1.048 28 K CA 1.805 58.064 56.287 -0.047 0.000 0.929 28 K CB -0.099 32.395 32.500 -0.010 0.000 0.713 28 K HN 0.242 nan 8.250 nan 0.000 0.439 29 V N -1.013 118.835 119.914 -0.110 0.000 3.506 29 V HA 0.169 4.289 4.120 0.000 0.000 0.263 29 V C 0.860 176.825 176.094 -0.216 0.000 1.203 29 V CA 0.192 62.349 62.300 -0.237 0.000 1.133 29 V CB -0.391 31.081 31.823 -0.585 0.000 0.802 29 V HN 0.042 nan 8.190 nan 0.000 0.459 30 L N 0.867 122.003 121.223 -0.145 0.000 2.387 30 L HA 0.552 4.892 4.340 0.000 0.000 0.266 30 L C -2.202 174.628 176.870 -0.067 0.000 1.059 30 L CA -1.887 52.893 54.840 -0.100 0.000 0.801 30 L CB 1.318 43.322 42.059 -0.091 0.000 1.223 30 L HN 0.099 nan 8.230 nan 0.000 0.456 31 P HA 0.153 nan 4.420 nan 0.000 0.277 31 P C -0.241 177.039 177.300 -0.033 0.000 1.240 31 P CA -0.480 62.600 63.100 -0.032 0.000 0.798 31 P CB 0.548 32.236 31.700 -0.019 0.000 0.979 32 E N 0.026 120.209 120.200 -0.029 0.000 2.444 32 E HA -0.222 4.128 4.350 0.000 0.000 0.205 32 E C 0.942 177.527 176.600 -0.024 0.000 1.054 32 E CA 1.301 57.685 56.400 -0.028 0.000 0.873 32 E CB -0.320 29.367 29.700 -0.022 0.000 0.793 32 E HN 0.427 nan 8.360 nan 0.000 0.549 33 D N -0.910 119.477 120.400 -0.021 0.000 2.615 33 D HA 0.086 4.726 4.640 0.000 0.000 0.259 33 D C 0.850 177.139 176.300 -0.020 0.000 0.999 33 D CA 0.809 54.799 54.000 -0.016 0.000 0.938 33 D CB -0.265 40.530 40.800 -0.009 0.000 1.121 33 D HN 0.112 nan 8.370 nan 0.000 0.487 34 G N 2.795 111.581 108.800 -0.023 0.000 2.548 34 G HA2 -0.117 3.843 3.960 0.000 0.000 0.243 34 G HA3 -0.117 3.843 3.960 0.000 0.000 0.243 34 G C -2.161 172.718 174.900 -0.035 0.000 0.801 34 G CA -0.469 44.613 45.100 -0.030 0.000 0.977 34 G HN 0.144 nan 8.290 nan 0.000 0.363 35 P HA 0.135 nan 4.420 nan 0.000 0.268 35 P C -0.108 177.158 177.300 -0.057 0.000 1.205 35 P CA 0.122 63.207 63.100 -0.026 0.000 0.771 35 P CB 0.705 32.401 31.700 -0.007 0.000 0.858 36 R N 2.361 122.829 120.500 -0.053 0.000 2.664 36 R HA 0.686 5.026 4.340 0.000 0.000 0.286 36 R C -0.481 175.771 176.300 -0.079 0.000 0.967 36 R CA -1.086 54.964 56.100 -0.084 0.000 0.933 36 R CB 0.794 31.052 30.300 -0.070 0.000 1.146 36 R HN 0.251 nan 8.270 nan 0.000 0.468 37 I N 3.082 123.571 120.570 -0.137 0.000 2.428 37 I HA 0.260 4.430 4.170 0.000 0.000 0.289 37 I C -0.056 176.035 176.117 -0.042 0.000 1.019 37 I CA -0.539 60.701 61.300 -0.099 0.000 1.351 37 I CB 1.260 39.108 38.000 -0.254 0.000 1.412 37 I HN 0.484 nan 8.210 nan 0.000 0.513 38 I N 5.482 126.068 120.570 0.027 0.000 2.433 38 I HA 0.286 4.456 4.170 0.000 0.000 0.292 38 I C -0.745 175.422 176.117 0.083 0.000 1.001 38 I CA -0.441 60.877 61.300 0.029 0.000 1.119 38 I CB 1.536 39.548 38.000 0.021 0.000 1.289 38 I HN 0.524 nan 8.210 nan 0.000 0.438 39 c N 6.370 125.007 118.600 0.062 0.000 2.325 39 c HA 0.504 5.074 4.570 0.000 0.000 0.347 39 c C 0.339 174.466 174.090 0.062 0.000 1.263 39 c CA -0.655 55.730 56.329 0.093 0.000 1.806 39 c CB 0.012 42.556 42.510 0.057 0.000 2.405 39 c HN 0.394 nan 8.230 nan 0.000 0.537 40 V N 4.346 124.305 119.914 0.074 0.000 2.495 40 V HA 0.460 4.580 4.120 0.000 0.000 0.298 40 V C -0.021 176.091 176.094 0.031 0.000 1.031 40 V CA -0.556 61.764 62.300 0.033 0.000 0.871 40 V CB 1.679 33.512 31.823 0.016 0.000 0.988 40 V HN 0.823 nan 8.190 nan 0.000 0.432 41 K N 4.894 125.297 120.400 0.005 0.000 2.206 41 K HA 0.612 4.932 4.320 0.000 0.000 0.264 41 K C -0.795 175.791 176.600 -0.024 0.000 0.967 41 K CA -0.708 55.575 56.287 -0.007 0.000 0.844 41 K CB 1.022 33.509 32.500 -0.022 0.000 1.099 41 K HN 0.501 nan 8.250 nan 0.000 0.441 42 K N 1.799 122.181 120.400 -0.030 0.000 2.433 42 K HA 0.408 4.729 4.320 0.000 0.000 0.252 42 K C 0.155 176.719 176.600 -0.060 0.000 1.015 42 K CA -0.581 55.678 56.287 -0.046 0.000 0.860 42 K CB 1.776 34.247 32.500 -0.048 0.000 1.359 42 K HN 0.635 nan 8.250 nan 0.000 0.452 43 A N 0.357 123.135 122.820 -0.070 0.000 1.970 43 A HA -0.003 4.317 4.320 0.000 0.000 0.216 43 A C 0.791 178.320 177.584 -0.091 0.000 1.170 43 A CA 1.522 53.509 52.037 -0.083 0.000 0.645 43 A CB -0.066 18.888 19.000 -0.076 0.000 0.816 43 A HN 0.659 nan 8.150 nan 0.000 0.447 44 S N -2.831 112.820 115.700 -0.082 0.000 2.651 44 S HA 0.445 4.915 4.470 0.000 0.000 0.279 44 S C 0.590 175.162 174.600 -0.046 0.000 1.148 44 S CA -0.008 58.159 58.200 -0.056 0.000 0.837 44 S CB 0.279 63.417 63.200 -0.104 0.000 1.138 44 S HN 0.801 nan 8.310 nan 0.000 0.478 45 Y N 0.660 120.962 120.300 0.004 0.000 2.274 45 Y HA 0.062 4.612 4.550 0.000 0.000 0.290 45 Y C 1.765 177.666 175.900 0.001 0.000 1.145 45 Y CA 1.131 59.243 58.100 0.019 0.000 1.203 45 Y CB -0.579 37.917 38.460 0.060 0.000 0.984 45 Y HN 0.480 nan 8.280 nan 0.000 0.533 46 L N 1.620 122.127 121.223 -1.193 0.000 1.994 46 L HA -0.183 4.157 4.340 0.000 0.000 0.208 46 L C 1.846 178.503 176.870 -0.354 0.000 1.071 46 L CA 1.963 56.286 54.840 -0.862 0.000 0.745 46 L CB -1.235 40.400 42.059 -0.706 0.000 0.892 46 L HN 0.274 nan 8.230 nan 0.000 0.431 47 D N -1.171 119.073 120.400 -0.260 0.000 2.182 47 D HA -0.212 4.428 4.640 0.000 0.000 0.201 47 D C 2.315 178.544 176.300 -0.118 0.000 0.986 47 D CA 1.512 55.421 54.000 -0.150 0.000 0.847 47 D CB -0.324 40.408 40.800 -0.114 0.000 0.942 47 D HN 0.427 nan 8.370 nan 0.000 0.467 48 c N 0.277 118.811 118.600 -0.110 0.000 2.435 48 c HA -0.006 4.564 4.570 0.000 0.000 0.279 48 c C 2.838 176.879 174.090 -0.082 0.000 1.321 48 c CA -0.177 56.107 56.329 -0.075 0.000 1.752 48 c CB -0.851 41.637 42.510 -0.036 0.000 1.959 48 c HN 0.329 nan 8.230 nan 0.000 0.500 49 I N 0.606 121.126 120.570 -0.084 0.000 2.202 49 I HA -0.203 3.967 4.170 0.000 0.000 0.242 49 I C 2.491 178.562 176.117 -0.077 0.000 1.091 49 I CA 1.503 62.765 61.300 -0.064 0.000 1.368 49 I CB -0.331 37.645 38.000 -0.040 0.000 1.058 49 I HN 0.352 nan 8.210 nan 0.000 0.410 50 K N 0.721 121.070 120.400 -0.086 0.000 2.057 50 K HA -0.142 4.179 4.320 0.000 0.000 0.207 50 K C 2.170 178.732 176.600 -0.064 0.000 1.049 50 K CA 1.495 57.740 56.287 -0.070 0.000 0.931 50 K CB -0.278 32.179 32.500 -0.071 0.000 0.714 50 K HN 0.299 nan 8.250 nan 0.000 0.440 51 A N 1.201 123.979 122.820 -0.069 0.000 2.019 51 A HA -0.110 4.210 4.320 0.000 0.000 0.219 51 A C 2.011 179.549 177.584 -0.077 0.000 1.164 51 A CA 1.165 53.165 52.037 -0.060 0.000 0.644 51 A CB -0.469 18.495 19.000 -0.060 0.000 0.805 51 A HN 0.186 nan 8.150 nan 0.000 0.449 52 I N -0.883 119.625 120.570 -0.103 0.000 2.584 52 I HA -0.125 4.045 4.170 0.000 0.000 0.255 52 I C 2.828 178.842 176.117 -0.171 0.000 1.145 52 I CA 0.764 61.977 61.300 -0.146 0.000 1.462 52 I CB -0.182 37.726 38.000 -0.153 0.000 1.102 52 I HN 0.326 nan 8.210 nan 0.000 0.433 53 A N 0.686 123.438 122.820 -0.113 0.000 1.969 53 A HA -0.008 4.313 4.320 0.000 0.000 0.218 53 A C 2.217 179.774 177.584 -0.045 0.000 1.169 53 A CA 1.672 53.656 52.037 -0.089 0.000 0.635 53 A CB -0.460 18.509 19.000 -0.051 0.000 0.810 53 A HN 0.398 nan 8.150 nan 0.000 0.445 54 A N -2.769 120.041 122.820 -0.017 0.000 2.345 54 A HA 0.421 4.741 4.320 0.000 0.000 0.225 54 A C 0.651 178.325 177.584 0.151 0.000 1.243 54 A CA 0.673 52.751 52.037 0.068 0.000 0.875 54 A CB -0.487 18.529 19.000 0.027 0.000 0.929 54 A HN 0.684 nan 8.150 nan 0.000 0.502 55 H N -1.478 117.571 119.070 -0.035 0.000 3.428 55 H HA -0.154 4.402 4.556 0.000 0.000 0.204 55 H C 1.182 176.491 175.328 -0.032 0.000 1.078 55 H CA 1.243 57.272 56.048 -0.032 0.000 1.183 55 H CB -1.466 28.281 29.762 -0.025 0.000 1.132 55 H HN 0.704 nan 8.280 nan 0.000 0.323 56 E N -0.293 119.926 120.200 0.031 0.000 2.274 56 E HA 0.289 4.639 4.350 0.000 0.000 0.194 56 E C 1.065 177.655 176.600 -0.016 0.000 0.996 56 E CA 0.852 57.258 56.400 0.009 0.000 0.840 56 E CB 0.393 30.089 29.700 -0.008 0.000 0.772 56 E HN 0.473 nan 8.360 nan 0.000 0.491 57 A N 0.104 122.893 122.820 -0.052 0.000 2.568 57 A HA 0.370 4.691 4.320 0.000 0.000 0.291 57 A C -0.890 176.619 177.584 -0.125 0.000 1.159 57 A CA -0.731 51.260 52.037 -0.077 0.000 0.679 57 A CB 1.203 20.147 19.000 -0.094 0.000 1.285 57 A HN -0.090 nan 8.150 nan 0.000 0.428 58 D N -0.807 119.501 120.400 -0.152 0.000 2.461 58 D HA 0.429 5.069 4.640 0.000 0.000 0.266 58 D C 0.372 176.517 176.300 -0.259 0.000 1.085 58 D CA 1.286 55.182 54.000 -0.174 0.000 0.887 58 D CB 1.076 41.814 40.800 -0.104 0.000 1.309 58 D HN 0.841 nan 8.370 nan 0.000 0.498 59 A N 0.667 123.227 122.820 -0.434 0.000 2.486 59 A HA 0.655 4.976 4.320 0.000 0.000 0.300 59 A C -1.506 175.469 177.584 -1.016 0.000 1.048 59 A CA -0.648 50.957 52.037 -0.719 0.000 0.696 59 A CB 2.483 20.898 19.000 -0.974 0.000 1.278 59 A HN -0.061 nan 8.150 nan 0.000 0.405 60 V N 1.745 121.258 119.914 -0.668 0.000 2.789 60 V HA 0.541 4.661 4.120 0.000 0.000 0.300 60 V C -0.451 175.617 176.094 -0.044 0.000 1.184 60 V CA -0.233 61.838 62.300 -0.382 0.000 0.930 60 V CB 2.315 34.023 31.823 -0.193 0.000 1.041 60 V HN 1.070 nan 8.190 nan 0.000 0.430 61 T N 8.003 122.686 114.554 0.215 0.000 2.851 61 T HA 0.641 4.991 4.350 0.000 0.000 0.298 61 T C -0.322 174.522 174.700 0.241 0.000 0.977 61 T CA 0.081 62.387 62.100 0.343 0.000 1.126 61 T CB 0.431 69.629 68.868 0.550 0.000 0.916 61 T HN 0.512 nan 8.240 nan 0.000 0.529 62 L N 1.866 123.199 121.223 0.183 0.000 2.393 62 L HA 0.476 4.816 4.340 0.000 0.000 0.260 62 L C -0.110 176.671 176.870 -0.149 0.000 1.002 62 L CA -1.322 53.546 54.840 0.047 0.000 0.818 62 L CB 2.296 44.377 42.059 0.036 0.000 1.369 62 L HN 0.573 nan 8.230 nan 0.000 0.412 63 D N 0.558 120.704 120.400 -0.424 0.000 2.382 63 D HA 0.258 4.898 4.640 0.000 0.000 0.240 63 D C 0.952 177.161 176.300 -0.152 0.000 1.146 63 D CA 0.415 53.972 54.000 -0.738 0.000 0.897 63 D CB 1.754 42.291 40.800 -0.438 0.000 1.197 63 D HN 0.615 nan 8.370 nan 0.000 0.432 64 A N 2.681 125.510 122.820 0.016 0.000 2.019 64 A HA -0.025 4.295 4.320 0.000 0.000 0.219 64 A C 2.042 179.716 177.584 0.150 0.000 1.164 64 A CA 1.647 53.742 52.037 0.096 0.000 0.644 64 A CB -1.009 17.958 19.000 -0.055 0.000 0.805 64 A HN 0.699 nan 8.150 nan 0.000 0.449 65 G N -0.634 108.289 108.800 0.205 0.000 2.484 65 G HA2 0.012 3.972 3.960 0.000 0.000 0.218 65 G HA3 0.012 3.972 3.960 0.000 0.000 0.218 65 G C 1.392 176.422 174.900 0.216 0.000 1.130 65 G CA 0.846 46.141 45.100 0.325 0.000 0.784 65 G HN 0.459 nan 8.290 nan 0.000 0.543 66 L N 0.128 121.404 121.223 0.088 0.000 2.416 66 L HA 0.105 4.445 4.340 0.000 0.000 0.216 66 L C 2.709 179.651 176.870 0.121 0.000 1.098 66 L CA -0.127 54.743 54.840 0.049 0.000 0.840 66 L CB -0.076 41.876 42.059 -0.179 0.000 0.981 66 L HN 0.009 nan 8.230 nan 0.000 0.462 67 V N -0.069 119.918 119.914 0.121 0.000 2.343 67 V HA -0.341 3.779 4.120 0.000 0.000 0.247 67 V C 2.570 178.760 176.094 0.160 0.000 1.051 67 V CA 2.035 64.405 62.300 0.116 0.000 1.036 67 V CB -0.798 31.096 31.823 0.119 0.000 0.654 67 V HN 0.564 nan 8.190 nan 0.000 0.451 68 H N 0.296 119.458 119.070 0.153 0.000 2.352 68 H HA -0.217 4.339 4.556 0.000 0.000 0.299 68 H C 2.380 177.778 175.328 0.117 0.000 1.097 68 H CA 2.203 58.345 56.048 0.156 0.000 1.311 68 H CB 0.140 30.024 29.762 0.204 0.000 1.377 68 H HN 0.566 nan 8.280 nan 0.000 0.504 69 E N -0.052 120.252 120.200 0.173 0.000 2.153 69 E HA -0.106 4.244 4.350 0.000 0.000 0.194 69 E C 2.218 178.837 176.600 0.032 0.000 0.988 69 E CA 0.849 57.311 56.400 0.103 0.000 0.811 69 E CB -0.034 29.786 29.700 0.200 0.000 0.746 69 E HN 0.558 nan 8.360 nan 0.000 0.466 70 A N 0.033 122.881 122.820 0.047 0.000 2.016 70 A HA 0.045 4.365 4.320 0.000 0.000 0.217 70 A C 2.212 179.782 177.584 -0.024 0.000 1.162 70 A CA 1.110 53.162 52.037 0.024 0.000 0.662 70 A CB -0.378 18.647 19.000 0.041 0.000 0.812 70 A HN 0.372 nan 8.150 nan 0.000 0.450 71 G N -0.605 108.166 108.800 -0.049 0.000 2.712 71 G HA2 0.260 4.221 3.960 0.000 0.000 0.212 71 G HA3 0.260 4.221 3.960 0.000 0.000 0.212 71 G C 0.702 175.548 174.900 -0.089 0.000 1.142 71 G CA -0.123 44.939 45.100 -0.063 0.000 0.789 71 G HN 0.396 nan 8.290 nan 0.000 0.535 72 L N 0.645 121.796 121.223 -0.120 0.000 2.476 72 L HA 0.232 4.572 4.340 0.000 0.000 0.255 72 L C 0.878 177.718 176.870 -0.049 0.000 1.218 72 L CA -0.479 54.303 54.840 -0.096 0.000 0.819 72 L CB 0.345 42.344 42.059 -0.100 0.000 1.119 72 L HN -0.097 nan 8.230 nan 0.000 0.485 73 T N 1.356 115.890 114.554 -0.034 0.000 2.898 73 T HA 0.148 4.498 4.350 0.000 0.000 0.301 73 T C -1.648 173.041 174.700 -0.018 0.000 1.049 73 T CA -0.563 61.525 62.100 -0.021 0.000 1.095 73 T CB 0.828 69.688 68.868 -0.013 0.000 0.976 73 T HN 0.537 nan 8.240 nan 0.000 0.539 74 P HA 0.209 nan 4.420 nan 0.000 0.254 74 P C 0.299 177.588 177.300 -0.019 0.000 1.494 74 P CA -0.029 63.062 63.100 -0.015 0.000 0.961 74 P CB 0.327 32.020 31.700 -0.011 0.000 1.493 75 N N 1.207 119.892 118.700 -0.026 0.000 2.305 75 N HA -0.024 4.716 4.740 0.000 0.000 0.179 75 N C 0.367 175.855 175.510 -0.036 0.000 1.019 75 N CA 0.352 53.382 53.050 -0.032 0.000 0.869 75 N CB -0.509 37.958 38.487 -0.033 0.000 1.000 75 N HN 0.109 nan 8.380 nan 0.000 0.431 76 N N 1.159 119.838 118.700 -0.036 0.000 2.714 76 N HA -0.171 4.569 4.740 0.000 0.000 0.253 76 N C -0.648 174.837 175.510 -0.041 0.000 1.024 76 N CA 0.558 53.587 53.050 -0.035 0.000 0.726 76 N CB -1.513 36.958 38.487 -0.027 0.000 0.908 76 N HN 0.349 nan 8.380 nan 0.000 0.542 77 L N -0.053 121.143 121.223 -0.045 0.000 2.416 77 L HA 0.532 4.872 4.340 0.000 0.000 0.263 77 L C 0.809 177.650 176.870 -0.049 0.000 1.065 77 L CA -0.734 54.074 54.840 -0.054 0.000 0.798 77 L CB 1.099 43.123 42.059 -0.058 0.000 1.267 77 L HN 0.206 nan 8.230 nan 0.000 0.467 78 K N -0.039 120.325 120.400 -0.060 0.000 2.508 78 K HA 0.566 4.887 4.320 0.000 0.000 0.260 78 K C -2.967 173.573 176.600 -0.100 0.000 0.949 78 K CA -1.836 54.412 56.287 -0.065 0.000 0.834 78 K CB 2.000 34.468 32.500 -0.054 0.000 1.365 78 K HN 0.105 nan 8.250 nan 0.000 0.437 79 P HA -0.028 nan 4.420 nan 0.000 0.276 79 P C 0.406 177.597 177.300 -0.181 0.000 1.235 79 P CA -0.456 62.499 63.100 -0.241 0.000 0.772 79 P CB 1.287 32.639 31.700 -0.580 0.000 0.871 80 V N 1.383 121.229 119.914 -0.113 0.000 3.497 80 V HA 0.263 4.383 4.120 0.000 0.000 0.272 80 V C 0.255 176.334 176.094 -0.024 0.000 1.474 80 V CA 0.258 62.511 62.300 -0.079 0.000 1.025 80 V CB 0.528 32.330 31.823 -0.035 0.000 0.820 80 V HN 0.190 nan 8.190 nan 0.000 0.437 81 V N 0.815 120.761 119.914 0.054 0.000 2.925 81 V HA 0.948 5.068 4.120 0.000 0.000 0.311 81 V C -0.253 175.998 176.094 0.263 0.000 1.104 81 V CA -0.089 62.326 62.300 0.191 0.000 0.954 81 V CB 1.600 33.573 31.823 0.250 0.000 1.022 81 V HN 0.624 nan 8.190 nan 0.000 0.427 82 A N 2.300 125.379 122.820 0.433 0.000 2.386 82 A HA 0.807 5.127 4.320 0.000 0.000 0.311 82 A C -0.522 177.334 177.584 0.453 0.000 1.068 82 A CA -0.673 51.657 52.037 0.488 0.000 0.743 82 A CB 1.129 20.544 19.000 0.691 0.000 1.258 82 A HN 0.838 nan 8.150 nan 0.000 0.429 83 E N 0.432 120.824 120.200 0.319 0.000 2.373 83 E HA 0.468 4.819 4.350 0.000 0.000 0.263 83 E C -0.854 175.509 176.600 -0.395 0.000 1.073 83 E CA 0.056 56.386 56.400 -0.116 0.000 0.894 83 E CB 0.833 30.403 29.700 -0.216 0.000 1.008 83 E HN 0.552 nan 8.360 nan 0.000 0.420 84 F N -0.384 119.084 119.950 -0.804 0.000 2.593 84 F HA 0.634 5.161 4.527 0.000 0.000 0.320 84 F C -1.161 174.024 175.800 -1.025 0.000 1.060 84 F CA -1.101 56.389 58.000 -0.850 0.000 0.940 84 F CB 0.623 39.196 39.000 -0.713 0.000 1.268 84 F HN 0.286 nan 8.300 nan 0.000 0.475 85 Y N -0.172 120.165 120.300 0.061 0.000 2.773 85 Y HA 0.760 5.311 4.550 0.000 0.000 0.323 85 Y C 1.073 176.859 175.900 -0.191 0.000 1.183 85 Y CA -0.601 57.435 58.100 -0.107 0.000 1.144 85 Y CB 1.258 39.589 38.460 -0.214 0.000 1.340 85 Y HN 1.023 nan 8.280 nan 0.000 0.531 86 G N 0.614 109.292 108.800 -0.203 0.000 5.259 86 G HA2 -0.105 3.855 3.960 0.000 0.000 0.288 86 G HA3 -0.105 3.855 3.960 0.000 0.000 0.288 86 G C -0.043 174.376 174.900 -0.802 0.000 1.534 86 G CA 0.352 45.233 45.100 -0.365 0.000 1.031 86 G HN 1.553 nan 8.290 nan 0.000 0.724 87 S N -1.161 114.143 115.700 -0.661 0.000 2.615 87 S HA 0.701 5.172 4.470 0.000 0.000 0.268 87 S C 0.263 174.740 174.600 -0.205 0.000 1.146 87 S CA 0.440 58.221 58.200 -0.699 0.000 0.818 87 S CB 1.642 64.625 63.200 -0.362 0.000 1.111 87 S HN 0.574 nan 8.310 nan 0.000 0.465 88 K N 1.301 121.706 120.400 0.007 0.000 2.057 88 K HA -0.011 4.309 4.320 0.000 0.000 0.207 88 K C 1.969 178.551 176.600 -0.031 0.000 1.049 88 K CA 1.911 58.264 56.287 0.110 0.000 0.931 88 K CB -0.173 32.422 32.500 0.157 0.000 0.714 88 K HN 0.741 nan 8.250 nan 0.000 0.440 89 E N -0.263 119.913 120.200 -0.040 0.000 2.435 89 E HA -0.086 4.264 4.350 0.000 0.000 0.195 89 E C -0.027 176.531 176.600 -0.070 0.000 1.029 89 E CA 0.642 57.014 56.400 -0.046 0.000 0.865 89 E CB -0.077 29.607 29.700 -0.026 0.000 0.833 89 E HN 0.078 nan 8.360 nan 0.000 0.510 90 N N 1.631 120.272 118.700 -0.099 0.000 2.752 90 N HA 0.177 4.917 4.740 0.000 0.000 0.260 90 N C -2.840 172.601 175.510 -0.116 0.000 1.562 90 N CA -2.036 50.962 53.050 -0.088 0.000 0.788 90 N CB 1.051 39.502 38.487 -0.059 0.000 1.192 90 N HN -0.145 nan 8.380 nan 0.000 0.503 91 P HA 0.231 nan 4.420 nan 0.000 0.275 91 P C -0.850 176.406 177.300 -0.074 0.000 1.227 91 P CA -0.106 62.873 63.100 -0.202 0.000 0.781 91 P CB 1.119 32.550 31.700 -0.448 0.000 0.906 92 K N 1.531 121.903 120.400 -0.046 0.000 2.324 92 K HA 0.348 4.668 4.320 0.000 0.000 0.253 92 K C 0.490 177.108 176.600 0.030 0.000 0.932 92 K CA -0.467 55.787 56.287 -0.055 0.000 0.799 92 K CB 1.818 34.112 32.500 -0.343 0.000 1.154 92 K HN 0.416 nan 8.250 nan 0.000 0.425 93 T N -0.880 113.750 114.554 0.128 0.000 3.258 93 T HA 0.393 4.743 4.350 0.000 0.000 0.259 93 T C 0.051 174.924 174.700 0.289 0.000 0.963 93 T CA -0.491 61.752 62.100 0.238 0.000 0.919 93 T CB -1.004 68.040 68.868 0.294 0.000 1.110 93 T HN 0.435 nan 8.240 nan 0.000 0.550 94 F N -0.615 119.416 119.950 0.135 0.000 2.685 94 F HA 0.831 5.358 4.527 0.000 0.000 0.315 94 F C -1.498 174.308 175.800 0.009 0.000 1.126 94 F CA -2.190 55.799 58.000 -0.020 0.000 0.950 94 F CB 1.026 39.901 39.000 -0.208 0.000 1.360 94 F HN 0.143 nan 8.300 nan 0.000 0.469 95 Y N -1.378 118.780 120.300 -0.237 0.000 2.689 95 Y HA 0.759 5.309 4.550 0.000 0.000 0.333 95 Y C -2.260 173.453 175.900 -0.312 0.000 1.190 95 Y CA -2.298 55.513 58.100 -0.483 0.000 1.063 95 Y CB 0.872 38.983 38.460 -0.581 0.000 1.294 95 Y HN 0.622 nan 8.280 nan 0.000 0.466 96 Y N 1.207 121.571 120.300 0.106 0.000 2.342 96 Y HA 0.718 5.268 4.550 0.000 0.000 0.334 96 Y C 0.273 176.264 175.900 0.152 0.000 1.067 96 Y CA -0.827 57.302 58.100 0.049 0.000 1.128 96 Y CB 1.776 40.236 38.460 0.000 0.000 1.200 96 Y HN 0.875 nan 8.280 nan 0.000 0.464 97 A N 3.169 126.181 122.820 0.319 0.000 2.328 97 A HA 0.713 5.033 4.320 0.000 0.000 0.284 97 A C -0.443 177.343 177.584 0.337 0.000 1.160 97 A CA -0.446 51.783 52.037 0.320 0.000 0.818 97 A CB -0.017 19.138 19.000 0.258 0.000 1.087 97 A HN 0.737 nan 8.150 nan 0.000 0.504 98 V N -1.105 118.996 119.914 0.311 0.000 3.102 98 V HA 0.942 5.062 4.120 0.000 0.000 0.312 98 V C -0.008 176.253 176.094 0.278 0.000 1.135 98 V CA -0.582 61.884 62.300 0.277 0.000 1.022 98 V CB 1.585 33.540 31.823 0.220 0.000 1.056 98 V HN 1.590 nan 8.190 nan 0.000 0.436 99 A N 2.752 125.710 122.820 0.230 0.000 2.256 99 A HA 0.780 5.100 4.320 0.000 0.000 0.317 99 A C -0.827 176.783 177.584 0.043 0.000 1.318 99 A CA -0.421 51.704 52.037 0.147 0.000 0.894 99 A CB 0.587 19.718 19.000 0.218 0.000 1.165 99 A HN 1.275 nan 8.150 nan 0.000 0.525 100 L N 4.740 125.951 121.223 -0.020 0.000 2.275 100 L HA 0.703 5.043 4.340 0.000 0.000 0.288 100 L C -0.060 176.815 176.870 0.008 0.000 1.046 100 L CA -0.045 54.810 54.840 0.025 0.000 0.805 100 L CB 1.492 43.587 42.059 0.059 0.000 1.193 100 L HN 0.681 nan 8.230 nan 0.000 0.426 101 V N 1.503 121.440 119.914 0.039 0.000 3.126 101 V HA 0.648 4.768 4.120 0.000 0.000 0.314 101 V C -0.494 175.599 176.094 -0.002 0.000 1.138 101 V CA -1.210 61.083 62.300 -0.013 0.000 1.034 101 V CB 1.736 33.444 31.823 -0.190 0.000 1.075 101 V HN 0.616 nan 8.190 nan 0.000 0.442 102 K N 1.419 121.745 120.400 -0.124 0.000 2.234 102 K HA 0.319 4.640 4.320 0.000 0.000 0.282 102 K C -0.201 176.265 176.600 -0.222 0.000 1.039 102 K CA -0.442 55.679 56.287 -0.276 0.000 0.928 102 K CB 1.297 33.635 32.500 -0.270 0.000 1.039 102 K HN 0.705 nan 8.250 nan 0.000 0.470 103 K N 0.396 120.665 120.400 -0.219 0.000 2.511 103 K HA -0.093 4.228 4.320 0.000 0.000 0.280 103 K C 0.770 177.285 176.600 -0.142 0.000 1.008 103 K CA 1.327 57.524 56.287 -0.151 0.000 1.050 103 K CB 0.087 32.517 32.500 -0.117 0.000 0.889 103 K HN 0.881 nan 8.250 nan 0.000 0.484 104 G N 1.912 110.638 108.800 -0.123 0.000 2.157 104 G HA2 -0.291 3.669 3.960 0.000 0.000 0.248 104 G HA3 -0.291 3.669 3.960 0.000 0.000 0.248 104 G C 0.529 175.375 174.900 -0.090 0.000 0.979 104 G CA 0.618 45.661 45.100 -0.095 0.000 0.650 104 G HN 0.702 nan 8.290 nan 0.000 0.529 105 S N -0.196 115.422 115.700 -0.135 0.000 2.548 105 S HA 0.138 4.608 4.470 0.000 0.000 0.215 105 S C 1.604 176.155 174.600 -0.082 0.000 0.976 105 S CA 0.962 59.117 58.200 -0.075 0.000 0.908 105 S CB -0.016 63.161 63.200 -0.039 0.000 0.781 105 S HN 0.786 nan 8.310 nan 0.000 0.519 106 N N 0.686 119.280 118.700 -0.177 0.000 2.631 106 N HA -0.194 4.546 4.740 0.000 0.000 0.218 106 N C 0.070 175.519 175.510 -0.102 0.000 0.972 106 N CA 1.894 54.878 53.050 -0.110 0.000 1.918 106 N CB -1.973 36.509 38.487 -0.007 0.000 0.895 106 N HN 0.717 nan 8.380 nan 0.000 0.540 107 F N 2.846 122.793 119.950 -0.004 0.000 2.553 107 F HA 0.424 4.951 4.527 0.000 0.000 0.356 107 F C 0.987 176.798 175.800 0.017 0.000 1.142 107 F CA -0.343 57.660 58.000 0.006 0.000 1.322 107 F CB 0.429 39.433 39.000 0.006 0.000 1.126 107 F HN -0.084 nan 8.300 nan 0.000 0.599 108 Q N 2.537 122.475 119.800 0.231 0.000 2.207 108 Q HA 0.258 4.598 4.340 0.000 0.000 0.237 108 Q C 1.132 177.285 176.000 0.255 0.000 0.998 108 Q CA -0.848 55.049 55.803 0.156 0.000 0.951 108 Q CB 1.075 29.866 28.738 0.089 0.000 1.213 108 Q HN 0.908 nan 8.270 nan 0.000 0.499 109 L N 1.984 123.317 121.223 0.183 0.000 2.129 109 L HA -0.230 4.110 4.340 0.000 0.000 0.212 109 L C 1.430 178.417 176.870 0.196 0.000 1.087 109 L CA 2.126 57.089 54.840 0.206 0.000 0.757 109 L CB -0.516 41.634 42.059 0.152 0.000 0.896 109 L HN 0.694 nan 8.230 nan 0.000 0.434 110 N N -0.770 118.019 118.700 0.148 0.000 2.449 110 N HA -0.103 4.637 4.740 0.000 0.000 0.191 110 N C 0.473 176.049 175.510 0.110 0.000 1.161 110 N CA 0.541 53.665 53.050 0.122 0.000 0.863 110 N CB -0.411 38.126 38.487 0.082 0.000 0.980 110 N HN 0.572 nan 8.380 nan 0.000 0.458 111 E N 0.174 120.454 120.200 0.133 0.000 2.585 111 E HA 0.217 4.567 4.350 0.000 0.000 0.206 111 E C 0.896 177.464 176.600 -0.053 0.000 1.007 111 E CA -0.189 56.242 56.400 0.052 0.000 1.028 111 E CB 0.233 29.989 29.700 0.093 0.000 1.087 111 E HN 0.266 nan 8.360 nan 0.000 0.455 112 L N 0.550 121.793 121.223 0.032 0.000 2.217 112 L HA -0.063 4.277 4.340 0.000 0.000 0.211 112 L C 1.560 178.245 176.870 -0.310 0.000 1.107 112 L CA 0.507 55.360 54.840 0.021 0.000 0.783 112 L CB -0.246 42.051 42.059 0.398 0.000 0.919 112 L HN 0.257 nan 8.230 nan 0.000 0.442 113 Q N 0.622 120.029 119.800 -0.655 0.000 2.269 113 Q HA 0.091 4.431 4.340 0.000 0.000 0.300 113 Q C 1.152 176.792 176.000 -0.601 0.000 1.070 113 Q CA 1.101 56.164 55.803 -1.233 0.000 0.957 113 Q CB 0.405 28.589 28.738 -0.924 0.000 1.131 113 Q HN 0.366 nan 8.270 nan 0.000 0.377 114 G N 2.935 111.433 108.800 -0.504 0.000 2.253 114 G HA2 -0.228 3.732 3.960 0.000 0.000 0.251 114 G HA3 -0.228 3.732 3.960 0.000 0.000 0.251 114 G C -0.097 174.729 174.900 -0.123 0.000 0.998 114 G CA 0.224 45.182 45.100 -0.236 0.000 0.621 114 G HN 0.560 nan 8.290 nan 0.000 0.524 115 K N 0.748 121.088 120.400 -0.100 0.000 2.120 115 K HA 0.505 4.826 4.320 0.000 0.000 0.245 115 K C 0.541 177.191 176.600 0.085 0.000 1.024 115 K CA -0.095 56.144 56.287 -0.080 0.000 0.906 115 K CB 0.482 32.850 32.500 -0.221 0.000 1.051 115 K HN 0.352 nan 8.250 nan 0.000 0.491 116 K N 0.736 121.116 120.400 -0.032 0.000 2.159 116 K HA 0.258 4.578 4.320 0.000 0.000 0.266 116 K C -0.383 176.100 176.600 -0.195 0.000 0.975 116 K CA -0.426 55.825 56.287 -0.060 0.000 0.865 116 K CB 1.393 33.858 32.500 -0.059 0.000 1.087 116 K HN 0.679 nan 8.250 nan 0.000 0.446 117 S N 0.446 115.972 115.700 -0.289 0.000 2.526 117 S HA 0.533 5.004 4.470 0.000 0.000 0.293 117 S C -0.658 173.760 174.600 -0.303 0.000 1.092 117 S CA -0.912 57.008 58.200 -0.468 0.000 0.980 117 S CB 1.021 63.640 63.200 -0.968 0.000 1.048 117 S HN 0.571 nan 8.310 nan 0.000 0.483 118 c N 3.842 122.205 118.600 -0.395 0.000 2.340 118 c HA 0.664 5.234 4.570 0.000 0.000 0.323 118 c C -0.227 173.728 174.090 -0.226 0.000 1.260 118 c CA -0.559 55.643 56.329 -0.211 0.000 1.464 118 c CB -0.535 41.877 42.510 -0.164 0.000 2.156 118 c HN 0.891 nan 8.230 nan 0.000 0.476 119 H N 1.037 120.198 119.070 0.152 0.000 2.679 119 H HA 0.298 4.854 4.556 0.000 0.000 0.367 119 H C 0.956 176.344 175.328 0.101 0.000 1.162 119 H CA -0.048 56.138 56.048 0.230 0.000 1.181 119 H CB 2.072 32.001 29.762 0.278 0.000 1.693 119 H HN 0.683 nan 8.280 nan 0.000 0.538 120 T N -0.369 114.283 114.554 0.164 0.000 2.904 120 T HA 0.182 4.532 4.350 0.000 0.000 0.267 120 T C 0.966 175.554 174.700 -0.187 0.000 1.059 120 T CA 0.633 62.672 62.100 -0.102 0.000 1.137 120 T CB 0.228 68.948 68.868 -0.247 0.000 0.879 120 T HN 0.787 nan 8.240 nan 0.000 0.467 121 G N 0.434 109.213 108.800 -0.034 0.000 2.384 121 G HA2 0.416 4.376 3.960 0.000 0.000 0.300 121 G HA3 0.416 4.376 3.960 0.000 0.000 0.300 121 G C -1.622 173.202 174.900 -0.126 0.000 1.582 121 G CA -0.932 44.124 45.100 -0.074 0.000 0.875 121 G HN 0.405 nan 8.290 nan 0.000 0.628 122 L N 1.466 122.520 121.223 -0.283 0.000 2.525 122 L HA 0.448 4.788 4.340 0.000 0.000 0.278 122 L C 1.665 178.283 176.870 -0.419 0.000 1.218 122 L CA 2.538 56.980 54.840 -0.664 0.000 0.878 122 L CB 0.712 42.425 42.059 -0.576 0.000 1.127 122 L HN 2.344 nan 8.230 nan 0.000 0.492 123 G N 3.125 111.647 108.800 -0.463 0.000 2.162 123 G HA2 -0.296 3.664 3.960 0.000 0.000 0.260 123 G HA3 -0.296 3.664 3.960 0.000 0.000 0.260 123 G C 0.639 175.584 174.900 0.074 0.000 0.976 123 G CA 0.487 45.562 45.100 -0.042 0.000 0.655 123 G HN 0.656 nan 8.290 nan 0.000 0.533 124 R N 0.118 120.674 120.500 0.094 0.000 2.532 124 R HA 0.630 4.970 4.340 0.000 0.000 0.272 124 R C 1.642 178.078 176.300 0.227 0.000 1.032 124 R CA -0.027 56.134 56.100 0.102 0.000 1.089 124 R CB 0.822 31.121 30.300 -0.002 0.000 1.098 124 R HN 0.152 nan 8.270 nan 0.000 0.526 125 S N 1.179 117.036 115.700 0.263 0.000 2.380 125 S HA -0.240 4.230 4.470 0.000 0.000 0.217 125 S C 1.873 176.634 174.600 0.268 0.000 1.036 125 S CA 1.722 60.113 58.200 0.319 0.000 1.050 125 S CB -0.330 63.054 63.200 0.306 0.000 1.016 125 S HN 0.778 nan 8.310 nan 0.000 0.419 126 A N 0.901 123.918 122.820 0.327 0.000 1.968 126 A HA 0.196 4.516 4.320 0.000 0.000 0.217 126 A C 2.177 179.942 177.584 0.301 0.000 1.169 126 A CA 1.514 53.748 52.037 0.329 0.000 0.638 126 A CB -0.990 18.290 19.000 0.467 0.000 0.812 126 A HN 0.545 nan 8.150 nan 0.000 0.446 127 G N -3.151 105.823 108.800 0.289 0.000 2.683 127 G HA2 0.086 4.046 3.960 0.000 0.000 0.213 127 G HA3 0.086 4.046 3.960 0.000 0.000 0.213 127 G C 1.110 176.280 174.900 0.451 0.000 1.142 127 G CA 0.765 46.078 45.100 0.354 0.000 0.793 127 G HN 0.615 nan 8.290 nan 0.000 0.534 128 W N -0.396 120.941 121.300 0.063 0.000 5.276 128 W HA 0.043 4.703 4.660 0.000 0.000 0.176 128 W C 1.305 177.782 176.519 -0.072 0.000 1.298 128 W CA 0.180 57.507 57.345 -0.029 0.000 2.054 128 W CB -0.300 29.129 29.460 -0.052 0.000 0.717 128 W HN 0.036 nan 8.180 nan 0.000 1.057 129 N N 1.851 120.616 118.700 0.108 0.000 2.018 129 N HA -0.210 4.530 4.740 0.000 0.000 0.196 129 N C 1.512 176.915 175.510 -0.178 0.000 1.043 129 N CA 2.594 55.605 53.050 -0.065 0.000 0.856 129 N CB -0.903 37.584 38.487 -0.000 0.000 1.042 129 N HN 0.067 nan 8.380 nan 0.000 0.423 130 I N 1.553 122.074 120.570 -0.082 0.000 2.113 130 I HA -0.148 4.023 4.170 0.000 0.000 0.238 130 I C -0.627 175.390 176.117 -0.167 0.000 1.070 130 I CA 1.289 62.538 61.300 -0.084 0.000 1.332 130 I CB -2.526 35.493 38.000 0.031 0.000 1.044 130 I HN 0.126 nan 8.210 nan 0.000 0.402 131 P HA -0.137 nan 4.420 nan 0.000 0.214 131 P C 2.007 179.064 177.300 -0.405 0.000 1.163 131 P CA 1.554 64.427 63.100 -0.378 0.000 0.883 131 P CB -0.053 31.091 31.700 -0.926 0.000 0.788 132 I N 0.171 120.407 120.570 -0.557 0.000 2.286 132 I HA -0.109 4.061 4.170 0.000 0.000 0.248 132 I C 2.675 178.520 176.117 -0.454 0.000 1.115 132 I CA 1.743 62.663 61.300 -0.632 0.000 1.392 132 I CB -2.307 35.030 38.000 -1.105 0.000 1.065 132 I HN 0.024 nan 8.210 nan 0.000 0.418 133 G N 0.773 109.347 108.800 -0.376 0.000 2.448 133 G HA2 -0.167 3.793 3.960 0.000 0.000 0.219 133 G HA3 -0.167 3.793 3.960 0.000 0.000 0.219 133 G C 1.776 176.546 174.900 -0.217 0.000 1.127 133 G CA 0.302 45.239 45.100 -0.273 0.000 0.766 133 G HN 0.359 nan 8.290 nan 0.000 0.552 134 L N -0.493 120.610 121.223 -0.199 0.000 2.375 134 L HA 0.266 4.606 4.340 0.000 0.000 0.215 134 L C 2.350 179.119 176.870 -0.168 0.000 1.108 134 L CA 0.140 54.895 54.840 -0.142 0.000 0.830 134 L CB 0.003 42.011 42.059 -0.086 0.000 0.959 134 L HN 0.180 nan 8.230 nan 0.000 0.457 135 L N -1.405 119.667 121.223 -0.251 0.000 2.513 135 L HA -0.028 4.312 4.340 0.000 0.000 0.222 135 L C 2.214 178.862 176.870 -0.370 0.000 1.096 135 L CA -0.145 54.492 54.840 -0.337 0.000 0.857 135 L CB -0.083 41.653 42.059 -0.538 0.000 1.026 135 L HN 0.161 nan 8.230 nan 0.000 0.469 136 L N 0.534 121.566 121.223 -0.319 0.000 1.987 136 L HA -0.362 3.978 4.340 0.000 0.000 0.230 136 L C 2.644 179.383 176.870 -0.217 0.000 1.089 136 L CA 2.266 56.941 54.840 -0.275 0.000 0.802 136 L CB -0.747 41.179 42.059 -0.222 0.000 0.905 136 L HN 0.275 nan 8.230 nan 0.000 0.441 137 c N 0.127 118.627 118.600 -0.167 0.000 2.391 137 c HA -0.192 4.379 4.570 0.000 0.000 0.276 137 c C 1.851 175.871 174.090 -0.116 0.000 1.217 137 c CA 1.283 57.540 56.329 -0.121 0.000 1.766 137 c CB -1.657 40.796 42.510 -0.095 0.000 2.046 137 c HN 0.847 nan 8.230 nan 0.000 0.475 138 D N -0.262 120.056 120.400 -0.136 0.000 2.460 138 D HA 0.211 4.851 4.640 0.000 0.000 0.229 138 D C 0.217 176.431 176.300 -0.143 0.000 1.170 138 D CA 0.039 53.978 54.000 -0.103 0.000 0.827 138 D CB -0.469 40.300 40.800 -0.053 0.000 0.973 138 D HN 0.380 nan 8.370 nan 0.000 0.496 139 L N -0.064 121.027 121.223 -0.220 0.000 2.456 139 L HA 0.361 4.701 4.340 0.000 0.000 0.257 139 L C -1.817 175.001 176.870 -0.087 0.000 1.162 139 L CA -2.373 52.330 54.840 -0.228 0.000 0.808 139 L CB 0.401 42.281 42.059 -0.300 0.000 1.136 139 L HN -0.181 nan 8.230 nan 0.000 0.466 140 P HA -0.109 nan 4.420 nan 0.000 0.255 140 P C 0.331 177.617 177.300 -0.023 0.000 1.161 140 P CA 0.426 63.523 63.100 -0.005 0.000 0.768 140 P CB 0.424 32.134 31.700 0.016 0.000 0.746 141 E N 6.615 126.803 120.200 -0.019 0.000 2.257 141 E HA -0.221 4.129 4.350 0.000 0.000 0.229 141 E C -1.049 175.539 176.600 -0.020 0.000 1.089 141 E CA 1.816 58.203 56.400 -0.021 0.000 0.947 141 E CB -1.816 27.877 29.700 -0.012 0.000 0.808 141 E HN 0.422 nan 8.360 nan 0.000 0.471 142 P HA 0.058 nan 4.420 nan 0.000 0.252 142 P C -0.786 176.505 177.300 -0.016 0.000 1.727 142 P CA 0.197 63.294 63.100 -0.006 0.000 1.134 142 P CB -0.020 31.685 31.700 0.007 0.000 1.876 143 R N 1.335 121.817 120.500 -0.030 0.000 2.328 143 R HA 0.125 4.465 4.340 0.000 0.000 0.206 143 R C 0.479 176.759 176.300 -0.033 0.000 0.990 143 R CA 0.256 56.327 56.100 -0.048 0.000 1.085 143 R CB 0.020 30.280 30.300 -0.066 0.000 0.998 143 R HN 0.357 nan 8.270 nan 0.000 0.484 144 K N 1.791 122.183 120.400 -0.012 0.000 2.397 144 K HA 0.368 4.689 4.320 0.000 0.000 0.253 144 K C -2.602 174.013 176.600 0.025 0.000 0.932 144 K CA -1.912 54.377 56.287 0.004 0.000 0.795 144 K CB 2.446 34.953 32.500 0.011 0.000 1.159 144 K HN -0.146 nan 8.250 nan 0.000 0.424 145 P HA 0.123 nan 4.420 nan 0.000 0.277 145 P C 0.773 178.037 177.300 -0.060 0.000 1.240 145 P CA -0.737 62.370 63.100 0.011 0.000 0.798 145 P CB 0.706 32.445 31.700 0.066 0.000 0.979 146 L N 2.288 123.482 121.223 -0.048 0.000 2.034 146 L HA -0.269 4.071 4.340 0.000 0.000 0.217 146 L C 1.900 178.715 176.870 -0.092 0.000 1.077 146 L CA 2.114 56.927 54.840 -0.045 0.000 0.769 146 L CB -1.075 41.004 42.059 0.033 0.000 0.890 146 L HN 0.402 nan 8.230 nan 0.000 0.435 147 E N -0.723 119.331 120.200 -0.243 0.000 2.085 147 E HA -0.250 4.100 4.350 0.000 0.000 0.194 147 E C 2.210 178.513 176.600 -0.494 0.000 0.994 147 E CA 1.422 57.530 56.400 -0.487 0.000 0.801 147 E CB -0.248 28.685 29.700 -1.278 0.000 0.743 147 E HN 0.348 nan 8.360 nan 0.000 0.453 148 K N 0.303 120.434 120.400 -0.448 0.000 2.097 148 K HA -0.048 4.272 4.320 0.000 0.000 0.205 148 K C 1.979 178.565 176.600 -0.023 0.000 1.050 148 K CA 1.115 57.337 56.287 -0.108 0.000 0.938 148 K CB -0.049 32.497 32.500 0.076 0.000 0.718 148 K HN 0.145 nan 8.250 nan 0.000 0.442 149 A N 0.720 123.510 122.820 -0.049 0.000 1.898 149 A HA -0.080 4.241 4.320 0.000 0.000 0.216 149 A C 2.269 179.845 177.584 -0.012 0.000 1.181 149 A CA 1.342 53.361 52.037 -0.030 0.000 0.620 149 A CB -0.519 18.439 19.000 -0.070 0.000 0.819 149 A HN 0.134 nan 8.150 nan 0.000 0.442 150 V N -0.134 119.771 119.914 -0.016 0.000 2.515 150 V HA -0.200 3.920 4.120 0.000 0.000 0.250 150 V C 2.945 179.162 176.094 0.205 0.000 1.058 150 V CA 1.719 64.054 62.300 0.058 0.000 1.064 150 V CB -0.995 30.894 31.823 0.110 0.000 0.675 150 V HN 0.595 nan 8.190 nan 0.000 0.461 151 A N -1.121 121.788 122.820 0.148 0.000 2.067 151 A HA -0.129 4.191 4.320 0.000 0.000 0.219 151 A C 2.406 180.093 177.584 0.172 0.000 1.158 151 A CA 1.892 54.041 52.037 0.188 0.000 0.661 151 A CB -0.314 18.781 19.000 0.158 0.000 0.801 151 A HN 0.482 nan 8.150 nan 0.000 0.452 152 S N -2.092 113.688 115.700 0.133 0.000 2.486 152 S HA 0.126 4.596 4.470 0.000 0.000 0.220 152 S C 1.369 176.029 174.600 0.100 0.000 1.011 152 S CA 0.288 58.549 58.200 0.102 0.000 0.921 152 S CB -0.285 62.962 63.200 0.078 0.000 0.785 152 S HN 0.658 nan 8.310 nan 0.000 0.517 153 F N 1.257 121.154 119.950 -0.088 0.000 2.234 153 F HA 0.314 4.841 4.527 0.000 0.000 0.296 153 F C 0.013 175.664 175.800 -0.248 0.000 1.089 153 F CA 0.560 58.425 58.000 -0.225 0.000 1.343 153 F CB 0.171 38.949 39.000 -0.370 0.000 1.040 153 F HN -0.002 nan 8.300 nan 0.000 0.498 154 F N 0.247 120.281 119.950 0.140 0.000 2.399 154 F HA 0.264 4.791 4.527 0.000 0.000 0.328 154 F C 1.124 176.937 175.800 0.021 0.000 1.084 154 F CA -1.087 56.944 58.000 0.051 0.000 1.053 154 F CB 1.195 40.308 39.000 0.189 0.000 1.209 154 F HN -0.154 nan 8.300 nan 0.000 0.502 155 S N 0.539 116.352 115.700 0.189 0.000 2.577 155 S HA 0.629 5.099 4.470 0.000 0.000 0.239 155 S C 0.007 174.666 174.600 0.099 0.000 1.236 155 S CA -0.042 58.216 58.200 0.097 0.000 1.233 155 S CB -0.595 62.622 63.200 0.027 0.000 0.908 155 S HN 1.309 nan 8.310 nan 0.000 0.493 156 G N 0.131 109.017 108.800 0.144 0.000 2.801 156 G HA2 0.321 4.281 3.960 0.000 0.000 0.648 156 G HA3 0.321 4.281 3.960 0.000 0.000 0.648 156 G C -0.844 174.110 174.900 0.089 0.000 1.415 156 G CA -0.670 44.490 45.100 0.100 0.000 0.887 156 G HN 0.544 nan 8.290 nan 0.000 0.627 157 S N -1.074 114.685 115.700 0.098 0.000 2.638 157 S HA 0.766 5.236 4.470 0.000 0.000 0.274 157 S C -0.957 173.707 174.600 0.107 0.000 1.157 157 S CA -0.139 58.125 58.200 0.106 0.000 0.826 157 S CB 2.081 65.409 63.200 0.213 0.000 1.139 157 S HN 1.821 nan 8.310 nan 0.000 0.474 158 c N 2.674 121.360 118.600 0.143 0.000 2.321 158 c HA 0.758 5.329 4.570 0.000 0.000 0.323 158 c C -0.902 173.329 174.090 0.236 0.000 1.191 158 c CA -0.173 56.242 56.329 0.143 0.000 1.455 158 c CB -1.232 41.325 42.510 0.079 0.000 2.083 158 c HN 0.582 nan 8.230 nan 0.000 0.442 159 V N 8.781 128.799 119.914 0.173 0.000 2.235 159 V HA 0.311 4.431 4.120 0.000 0.000 0.266 159 V C -2.111 174.020 176.094 0.061 0.000 1.055 159 V CA -1.313 61.045 62.300 0.097 0.000 0.844 159 V CB 0.809 32.593 31.823 -0.064 0.000 1.097 159 V HN 0.722 nan 8.190 nan 0.000 0.453 160 P HA 0.071 nan 4.420 nan 0.000 0.261 160 P C 0.674 178.044 177.300 0.115 0.000 1.173 160 P CA 0.493 63.698 63.100 0.176 0.000 0.760 160 P CB 0.255 32.116 31.700 0.269 0.000 0.783 161 c N 1.074 119.753 118.600 0.132 0.000 5.444 161 c HA -0.075 4.495 4.570 0.000 0.000 0.217 161 c C 1.147 175.260 174.090 0.039 0.000 1.175 161 c CA 0.316 56.712 56.329 0.111 0.000 1.219 161 c CB -2.315 40.301 42.510 0.177 0.000 1.997 161 c HN 0.773 nan 8.230 nan 0.000 0.644 162 A N 0.350 123.175 122.820 0.008 0.000 2.257 162 A HA 0.560 4.880 4.320 0.000 0.000 0.289 162 A C 0.003 177.638 177.584 0.084 0.000 1.095 162 A CA 0.291 52.332 52.037 0.007 0.000 0.836 162 A CB 0.232 19.211 19.000 -0.034 0.000 1.111 162 A HN 0.430 nan 8.150 nan 0.000 0.497 163 D N 0.628 121.125 120.400 0.161 0.000 2.365 163 D HA 0.299 4.940 4.640 0.000 0.000 0.237 163 D C 1.195 177.553 176.300 0.097 0.000 1.190 163 D CA 0.607 54.669 54.000 0.103 0.000 0.867 163 D CB 1.108 41.938 40.800 0.051 0.000 1.050 163 D HN 0.514 nan 8.370 nan 0.000 0.491 164 G N 2.858 111.689 108.800 0.050 0.000 2.511 164 G HA2 -0.073 3.887 3.960 0.000 0.000 0.217 164 G HA3 -0.073 3.887 3.960 0.000 0.000 0.217 164 G C 1.378 176.266 174.900 -0.021 0.000 1.133 164 G CA 0.735 45.865 45.100 0.050 0.000 0.792 164 G HN 0.567 nan 8.290 nan 0.000 0.539 165 A N 1.568 124.343 122.820 -0.076 0.000 1.858 165 A HA -0.058 4.263 4.320 0.000 0.000 0.216 165 A C 2.008 179.469 177.584 -0.206 0.000 1.190 165 A CA 1.994 53.964 52.037 -0.111 0.000 0.617 165 A CB -0.301 18.635 19.000 -0.107 0.000 0.827 165 A HN 0.277 nan 8.150 nan 0.000 0.443 166 D N -1.487 118.654 120.400 -0.431 0.000 2.289 166 D HA 0.075 4.715 4.640 0.000 0.000 0.207 166 D C -0.522 175.297 176.300 -0.801 0.000 0.966 166 D CA 0.669 54.215 54.000 -0.757 0.000 0.868 166 D CB 0.013 40.040 40.800 -1.288 0.000 0.943 166 D HN 0.434 nan 8.370 nan 0.000 0.514 167 F N 0.551 120.519 119.950 0.031 0.000 2.710 167 F HA 0.282 4.809 4.527 0.000 0.000 0.345 167 F C -1.823 174.006 175.800 0.048 0.000 1.362 167 F CA -2.332 55.695 58.000 0.045 0.000 1.175 167 F CB 1.432 40.462 39.000 0.050 0.000 1.561 167 F HN -0.237 nan 8.300 nan 0.000 0.593 168 P HA -0.160 nan 4.420 nan 0.000 0.222 168 P C 0.962 178.339 177.300 0.128 0.000 1.147 168 P CA 1.310 64.476 63.100 0.111 0.000 0.790 168 P CB 0.437 32.175 31.700 0.065 0.000 0.780 169 Q N -0.201 119.691 119.800 0.154 0.000 2.224 169 Q HA 0.000 4.340 4.340 0.000 0.000 0.203 169 Q C 2.200 178.292 176.000 0.154 0.000 0.970 169 Q CA 0.925 56.813 55.803 0.142 0.000 0.865 169 Q CB -0.881 27.948 28.738 0.152 0.000 0.922 169 Q HN 0.285 nan 8.270 nan 0.000 0.445 170 L N -0.873 120.458 121.223 0.179 0.000 2.549 170 L HA -0.070 4.270 4.340 0.000 0.000 0.229 170 L C 0.691 177.643 176.870 0.137 0.000 1.158 170 L CA 0.259 55.199 54.840 0.168 0.000 0.842 170 L CB -0.073 42.082 42.059 0.159 0.000 0.952 170 L HN 0.335 nan 8.230 nan 0.000 0.452 171 c N -1.638 117.035 118.600 0.121 0.000 3.125 171 c HA 0.090 4.661 4.570 0.000 0.000 0.284 171 c C 2.218 176.356 174.090 0.080 0.000 1.386 171 c CA -0.651 55.738 56.329 0.101 0.000 1.763 171 c CB -0.297 42.270 42.510 0.094 0.000 2.377 171 c HN 0.492 nan 8.230 nan 0.000 0.620 172 Q N 1.280 121.125 119.800 0.074 0.000 2.084 172 Q HA -0.086 4.254 4.340 0.000 0.000 0.202 172 Q C 1.697 177.711 176.000 0.024 0.000 0.978 172 Q CA 1.541 57.375 55.803 0.051 0.000 0.844 172 Q CB 0.031 28.801 28.738 0.053 0.000 0.898 172 Q HN 0.715 nan 8.270 nan 0.000 0.426 173 L N -0.217 121.008 121.223 0.004 0.000 2.558 173 L HA 0.136 4.476 4.340 0.000 0.000 0.225 173 L C 0.674 177.506 176.870 -0.064 0.000 1.128 173 L CA -0.202 54.597 54.840 -0.069 0.000 0.868 173 L CB 0.291 42.269 42.059 -0.135 0.000 1.006 173 L HN 0.382 nan 8.230 nan 0.000 0.454 174 c N -2.697 115.928 118.600 0.042 0.000 3.430 174 c HA 0.430 5.000 4.570 0.000 0.000 0.268 174 c C -2.768 171.397 174.090 0.126 0.000 1.101 174 c CA -2.140 54.272 56.329 0.137 0.000 1.286 174 c CB -0.441 42.200 42.510 0.219 0.000 1.795 174 c HN -0.079 nan 8.230 nan 0.000 0.569 175 P HA 0.290 nan 4.420 nan 0.000 0.258 175 P C 1.302 178.651 177.300 0.081 0.000 1.172 175 P CA 2.804 65.952 63.100 0.081 0.000 0.762 175 P CB 0.154 31.895 31.700 0.068 0.000 0.764 176 G N 2.698 111.540 108.800 0.071 0.000 2.284 176 G HA2 -0.299 3.662 3.960 0.000 0.000 0.216 176 G HA3 -0.299 3.662 3.960 0.000 0.000 0.216 176 G C 0.567 175.511 174.900 0.075 0.000 1.009 176 G CA -0.187 44.950 45.100 0.062 0.000 0.625 176 G HN 0.611 nan 8.290 nan 0.000 0.501 177 c N 1.309 119.970 118.600 0.101 0.000 4.268 177 c HA -0.014 4.556 4.570 0.000 0.000 0.299 177 c C 1.886 176.050 174.090 0.123 0.000 1.429 177 c CA 0.497 56.897 56.329 0.118 0.000 2.018 177 c CB -2.112 40.456 42.510 0.098 0.000 1.277 177 c HN 2.079 nan 8.230 nan 0.000 0.767 178 G N -0.349 108.520 108.800 0.114 0.000 2.224 178 G HA2 0.171 4.131 3.960 0.000 0.000 0.239 178 G HA3 0.171 4.131 3.960 0.000 0.000 0.239 178 G C 0.582 175.549 174.900 0.112 0.000 1.240 178 G CA 0.522 45.669 45.100 0.079 0.000 0.896 178 G HN 0.989 nan 8.290 nan 0.000 0.496 179 c N 3.566 122.185 118.600 0.032 0.000 2.365 179 c HA 0.659 5.230 4.570 0.000 0.000 0.386 179 c C 1.032 174.885 174.090 -0.395 0.000 1.357 179 c CA 0.059 56.405 56.329 0.028 0.000 1.747 179 c CB -2.787 39.783 42.510 0.100 0.000 2.487 179 c HN 0.990 nan 8.230 nan 0.000 0.585 180 S N -1.013 114.209 115.700 -0.796 0.000 2.615 180 S HA 0.287 4.757 4.470 0.000 0.000 0.268 180 S C 0.476 174.515 174.600 -0.935 0.000 1.146 180 S CA 0.314 57.809 58.200 -1.176 0.000 0.818 180 S CB 0.630 63.532 63.200 -0.496 0.000 1.111 180 S HN 0.641 nan 8.310 nan 0.000 0.465 181 S N 0.191 115.579 115.700 -0.520 0.000 2.603 181 S HA 0.026 4.496 4.470 0.000 0.000 0.229 181 S C 1.424 176.089 174.600 0.109 0.000 0.972 181 S CA 0.763 58.990 58.200 0.046 0.000 0.935 181 S CB -0.524 62.820 63.200 0.239 0.000 0.769 181 S HN 0.738 nan 8.310 nan 0.000 0.536 182 V N 1.546 121.404 119.914 -0.093 0.000 2.591 182 V HA -0.037 4.084 4.120 0.000 0.000 0.249 182 V C 1.323 177.428 176.094 0.018 0.000 1.053 182 V CA 1.399 63.651 62.300 -0.080 0.000 1.068 182 V CB -0.592 31.089 31.823 -0.236 0.000 0.689 182 V HN 0.823 nan 8.190 nan 0.000 0.462 183 Q N 1.206 121.012 119.800 0.010 0.000 2.261 183 Q HA 0.236 4.576 4.340 0.000 0.000 0.252 183 Q C -1.919 174.119 176.000 0.063 0.000 0.915 183 Q CA -1.599 54.235 55.803 0.051 0.000 0.915 183 Q CB 0.653 29.445 28.738 0.090 0.000 1.204 183 Q HN 0.089 nan 8.270 nan 0.000 0.421 184 P HA -0.139 nan 4.420 nan 0.000 0.228 184 P C -0.526 176.581 177.300 -0.321 0.000 1.151 184 P CA 1.122 64.073 63.100 -0.248 0.000 0.770 184 P CB 0.074 31.466 31.700 -0.514 0.000 0.786 185 Y N -1.722 118.678 120.300 0.166 0.000 2.681 185 Y HA 0.320 4.870 4.550 0.000 0.000 0.267 185 Y C 0.628 176.633 175.900 0.175 0.000 1.166 185 Y CA -1.386 56.798 58.100 0.141 0.000 1.209 185 Y CB -0.618 37.903 38.460 0.101 0.000 1.161 185 Y HN -0.155 nan 8.280 nan 0.000 0.534 186 F N 0.696 120.734 119.950 0.147 0.000 2.379 186 F HA 0.658 5.185 4.527 0.000 0.000 0.332 186 F C 0.932 176.801 175.800 0.115 0.000 1.096 186 F CA 0.327 58.402 58.000 0.125 0.000 1.105 186 F CB 0.569 39.626 39.000 0.094 0.000 1.189 186 F HN 0.279 nan 8.300 nan 0.000 0.515 187 G N 4.194 112.321 108.800 -1.122 0.000 2.698 187 G HA2 -0.358 3.602 3.960 0.000 0.000 0.233 187 G HA3 -0.358 3.602 3.960 0.000 0.000 0.233 187 G C -0.048 174.699 174.900 -0.256 0.000 1.352 187 G CA 0.199 44.798 45.100 -0.834 0.000 0.879 187 G HN 0.803 nan 8.290 nan 0.000 0.567 188 Y N 0.258 120.505 120.300 -0.088 0.000 2.128 188 Y HA -0.067 4.483 4.550 0.000 0.000 0.284 188 Y C 3.491 179.422 175.900 0.052 0.000 1.154 188 Y CA 2.324 60.419 58.100 -0.009 0.000 1.149 188 Y CB -0.864 37.569 38.460 -0.044 0.000 0.976 188 Y HN 0.456 nan 8.280 nan 0.000 0.505 189 S N -0.426 115.402 115.700 0.214 0.000 2.356 189 S HA -0.164 4.306 4.470 0.000 0.000 0.223 189 S C 2.404 177.149 174.600 0.242 0.000 1.032 189 S CA 1.266 59.590 58.200 0.205 0.000 1.005 189 S CB -0.989 62.308 63.200 0.162 0.000 0.867 189 S HN 0.651 nan 8.310 nan 0.000 0.449 190 G N 1.146 110.061 108.800 0.191 0.000 2.421 190 G HA2 -0.087 3.873 3.960 0.000 0.000 0.216 190 G HA3 -0.087 3.873 3.960 0.000 0.000 0.216 190 G C 1.605 176.668 174.900 0.272 0.000 1.171 190 G CA 0.986 46.222 45.100 0.226 0.000 0.775 190 G HN 0.580 nan 8.290 nan 0.000 0.543 191 A N 0.526 123.456 122.820 0.184 0.000 1.917 191 A HA -0.063 4.257 4.320 0.000 0.000 0.219 191 A C 2.199 179.854 177.584 0.117 0.000 1.182 191 A CA 1.866 53.985 52.037 0.136 0.000 0.633 191 A CB -0.646 18.422 19.000 0.114 0.000 0.819 191 A HN 0.483 nan 8.150 nan 0.000 0.448 192 F N 0.462 120.450 119.950 0.063 0.000 2.102 192 F HA -0.135 4.392 4.527 0.000 0.000 0.298 192 F C 2.156 177.999 175.800 0.072 0.000 1.105 192 F CA 2.249 60.263 58.000 0.022 0.000 1.239 192 F CB -0.253 38.735 39.000 -0.020 0.000 0.991 192 F HN 0.165 nan 8.300 nan 0.000 0.474 193 K N -0.344 120.068 120.400 0.019 0.000 2.097 193 K HA -0.244 4.077 4.320 0.000 0.000 0.206 193 K C 2.465 179.129 176.600 0.106 0.000 1.049 193 K CA 1.402 57.719 56.287 0.051 0.000 0.933 193 K CB -0.772 31.870 32.500 0.236 0.000 0.717 193 K HN 0.523 nan 8.250 nan 0.000 0.442 194 c N 0.828 119.505 118.600 0.129 0.000 2.413 194 c HA -0.112 4.458 4.570 0.000 0.000 0.277 194 c C 2.481 176.459 174.090 -0.187 0.000 1.265 194 c CA 0.764 56.989 56.329 -0.173 0.000 1.752 194 c CB -0.858 41.536 42.510 -0.194 0.000 1.998 194 c HN 0.560 nan 8.230 nan 0.000 0.489 195 L N 1.544 122.653 121.223 -0.190 0.000 2.023 195 L HA 0.004 4.344 4.340 0.000 0.000 0.205 195 L C 2.646 179.411 176.870 -0.177 0.000 1.073 195 L CA 2.285 57.018 54.840 -0.179 0.000 0.745 195 L CB -1.111 40.850 42.059 -0.164 0.000 0.900 195 L HN 0.341 nan 8.230 nan 0.000 0.435 196 K N -0.522 119.685 120.400 -0.322 0.000 2.063 196 K HA -0.215 4.106 4.320 0.000 0.000 0.208 196 K C 1.297 177.852 176.600 -0.076 0.000 1.048 196 K CA 1.940 58.105 56.287 -0.205 0.000 0.928 196 K CB -0.279 31.980 32.500 -0.400 0.000 0.713 196 K HN 0.396 nan 8.250 nan 0.000 0.442 197 D N -0.652 119.719 120.400 -0.048 0.000 2.378 197 D HA 0.008 4.648 4.640 0.000 0.000 0.227 197 D C 0.957 177.236 176.300 -0.036 0.000 1.012 197 D CA 1.047 55.048 54.000 0.001 0.000 0.905 197 D CB 0.138 40.985 40.800 0.078 0.000 0.895 197 D HN 0.569 nan 8.370 nan 0.000 0.532 198 G N 0.430 109.189 108.800 -0.069 0.000 2.148 198 G HA2 -0.332 3.628 3.960 0.000 0.000 0.254 198 G HA3 -0.332 3.628 3.960 0.000 0.000 0.254 198 G C 1.121 175.972 174.900 -0.082 0.000 0.981 198 G CA 0.455 45.514 45.100 -0.068 0.000 0.670 198 G HN 0.413 nan 8.290 nan 0.000 0.528 199 L N -0.056 121.092 121.223 -0.125 0.000 2.093 199 L HA 0.273 4.613 4.340 0.000 0.000 0.208 199 L C 1.936 178.727 176.870 -0.131 0.000 1.085 199 L CA 1.508 56.258 54.840 -0.150 0.000 0.755 199 L CB -0.321 41.573 42.059 -0.274 0.000 0.904 199 L HN 0.465 nan 8.230 nan 0.000 0.435 200 G N -2.001 106.715 108.800 -0.140 0.000 2.600 200 G HA2 0.301 4.261 3.960 0.000 0.000 0.303 200 G HA3 0.301 4.261 3.960 0.000 0.000 0.303 200 G C -0.539 174.306 174.900 -0.090 0.000 1.253 200 G CA -0.371 44.652 45.100 -0.128 0.000 0.974 200 G HN -0.092 nan 8.290 nan 0.000 0.483 201 D N -1.130 119.229 120.400 -0.068 0.000 2.366 201 D HA 0.089 4.729 4.640 0.000 0.000 0.205 201 D C 0.414 176.775 176.300 0.103 0.000 1.022 201 D CA 0.567 54.593 54.000 0.044 0.000 0.868 201 D CB 1.601 42.424 40.800 0.037 0.000 0.953 201 D HN 0.157 nan 8.370 nan 0.000 0.514 202 V N 0.006 119.876 119.914 -0.072 0.000 2.971 202 V HA 0.701 4.821 4.120 0.000 0.000 0.309 202 V C -1.827 174.007 176.094 -0.433 0.000 1.130 202 V CA -0.766 61.420 62.300 -0.191 0.000 0.964 202 V CB 2.137 33.855 31.823 -0.175 0.000 1.029 202 V HN 0.056 nan 8.190 nan 0.000 0.427 203 A N 5.283 127.841 122.820 -0.437 0.000 2.374 203 A HA 0.868 5.189 4.320 0.000 0.000 0.305 203 A C -1.417 175.918 177.584 -0.416 0.000 1.053 203 A CA -0.386 51.403 52.037 -0.413 0.000 0.726 203 A CB 1.136 20.050 19.000 -0.143 0.000 1.229 203 A HN 0.736 nan 8.150 nan 0.000 0.431 204 F N 2.798 122.736 119.950 -0.020 0.000 2.335 204 F HA 0.488 5.015 4.527 0.000 0.000 0.365 204 F C 0.721 176.604 175.800 0.139 0.000 1.122 204 F CA -0.249 57.791 58.000 0.067 0.000 1.151 204 F CB 1.107 40.139 39.000 0.054 0.000 1.282 204 F HN 0.536 nan 8.300 nan 0.000 0.513 205 V N 0.155 120.256 119.914 0.312 0.000 3.087 205 V HA 0.689 4.809 4.120 0.000 0.000 0.311 205 V C -0.652 175.641 176.094 0.331 0.000 1.333 205 V CA -1.358 61.145 62.300 0.338 0.000 1.054 205 V CB 1.837 33.815 31.823 0.257 0.000 1.123 205 V HN 0.501 nan 8.190 nan 0.000 0.473 206 K N -0.085 120.467 120.400 0.252 0.000 2.245 206 K HA 0.517 4.837 4.320 0.000 0.000 0.234 206 K C 0.695 177.297 176.600 0.005 0.000 1.021 206 K CA -0.306 56.071 56.287 0.149 0.000 0.898 206 K CB 1.285 33.753 32.500 -0.054 0.000 1.163 206 K HN 0.703 nan 8.250 nan 0.000 0.459 207 Q N 0.275 120.050 119.800 -0.041 0.000 2.378 207 Q HA -0.082 4.258 4.340 0.000 0.000 0.205 207 Q C 0.611 176.525 176.000 -0.145 0.000 0.954 207 Q CA 1.361 57.078 55.803 -0.142 0.000 0.901 207 Q CB 0.110 28.576 28.738 -0.454 0.000 0.981 207 Q HN 0.683 nan 8.270 nan 0.000 0.483 208 E N 0.967 121.053 120.200 -0.189 0.000 2.318 208 E HA 0.008 4.359 4.350 0.000 0.000 0.193 208 E C 1.689 178.213 176.600 -0.127 0.000 0.998 208 E CA 0.912 57.253 56.400 -0.098 0.000 0.859 208 E CB -0.000 29.548 29.700 -0.254 0.000 0.812 208 E HN 0.424 nan 8.360 nan 0.000 0.492 209 T N 2.097 116.518 114.554 -0.222 0.000 2.665 209 T HA -0.175 4.176 4.350 0.000 0.000 0.268 209 T C 1.965 176.406 174.700 -0.432 0.000 1.035 209 T CA 1.100 63.039 62.100 -0.267 0.000 1.151 209 T CB -0.223 68.560 68.868 -0.141 0.000 0.862 209 T HN 0.198 nan 8.240 nan 0.000 0.438 210 I N -0.127 120.156 120.570 -0.479 0.000 2.394 210 I HA -0.136 4.034 4.170 0.000 0.000 0.251 210 I C 1.747 177.478 176.117 -0.643 0.000 1.136 210 I CA 1.426 62.294 61.300 -0.720 0.000 1.425 210 I CB -0.110 37.498 38.000 -0.653 0.000 1.079 210 I HN 0.168 nan 8.210 nan 0.000 0.425 211 F N 1.307 121.097 119.950 -0.266 0.000 2.206 211 F HA -0.195 4.332 4.527 0.000 0.000 0.298 211 F C 2.532 178.203 175.800 -0.215 0.000 1.090 211 F CA 1.498 59.382 58.000 -0.192 0.000 1.323 211 F CB -0.662 38.257 39.000 -0.134 0.000 1.028 211 F HN 0.217 nan 8.300 nan 0.000 0.492 212 E N -0.395 119.754 120.200 -0.085 0.000 2.478 212 E HA -0.126 4.224 4.350 0.000 0.000 0.198 212 E C 1.006 177.488 176.600 -0.197 0.000 1.046 212 E CA 0.890 57.213 56.400 -0.128 0.000 0.870 212 E CB -0.326 29.290 29.700 -0.140 0.000 0.818 212 E HN 0.408 nan 8.360 nan 0.000 0.527 213 N N 0.165 118.663 118.700 -0.337 0.000 2.210 213 N HA 0.197 4.937 4.740 0.000 0.000 0.203 213 N C -0.405 174.942 175.510 -0.272 0.000 1.175 213 N CA 0.136 52.962 53.050 -0.373 0.000 0.894 213 N CB 1.123 39.111 38.487 -0.832 0.000 1.041 213 N HN 0.138 nan 8.380 nan 0.000 0.506 214 L N 1.380 122.451 121.223 -0.254 0.000 2.529 214 L HA 0.355 4.695 4.340 0.000 0.000 0.260 214 L C -2.059 174.771 176.870 -0.067 0.000 0.997 214 L CA -1.308 53.452 54.840 -0.133 0.000 0.885 214 L CB 2.669 44.642 42.059 -0.143 0.000 1.185 214 L HN -0.281 nan 8.230 nan 0.000 0.442 215 P HA -0.079 nan 4.420 nan 0.000 0.220 215 P C 0.237 177.560 177.300 0.038 0.000 1.148 215 P CA 0.838 63.947 63.100 0.014 0.000 0.803 215 P CB 0.237 31.940 31.700 0.005 0.000 0.782 216 S N -1.047 114.671 115.700 0.031 0.000 2.489 216 S HA 0.345 4.815 4.470 0.000 0.000 0.291 216 S C 1.022 175.653 174.600 0.052 0.000 1.151 216 S CA -0.863 57.363 58.200 0.043 0.000 1.082 216 S CB 2.173 65.395 63.200 0.036 0.000 1.019 216 S HN -0.118 nan 8.310 nan 0.000 0.492 217 K N 1.886 122.327 120.400 0.068 0.000 2.089 217 K HA -0.245 4.075 4.320 0.000 0.000 0.210 217 K C 1.118 177.752 176.600 0.057 0.000 1.048 217 K CA 2.212 58.543 56.287 0.072 0.000 0.926 217 K CB -0.313 32.235 32.500 0.080 0.000 0.714 217 K HN 0.717 nan 8.250 nan 0.000 0.448 218 D N 0.302 120.731 120.400 0.049 0.000 2.149 218 D HA -0.162 4.478 4.640 0.000 0.000 0.198 218 D C 1.709 178.043 176.300 0.058 0.000 0.990 218 D CA 1.389 55.416 54.000 0.045 0.000 0.839 218 D CB 0.029 40.851 40.800 0.036 0.000 0.948 218 D HN 0.494 nan 8.370 nan 0.000 0.460 219 E N 0.508 120.749 120.200 0.068 0.000 2.072 219 E HA -0.063 4.287 4.350 0.000 0.000 0.190 219 E C 2.205 178.903 176.600 0.163 0.000 0.982 219 E CA 0.381 56.846 56.400 0.109 0.000 0.803 219 E CB 0.061 29.825 29.700 0.106 0.000 0.755 219 E HN 0.181 nan 8.360 nan 0.000 0.453 220 R N 0.993 121.548 120.500 0.092 0.000 2.152 220 R HA -0.123 4.217 4.340 0.000 0.000 0.232 220 R C 1.301 177.690 176.300 0.148 0.000 1.117 220 R CA 0.992 57.137 56.100 0.075 0.000 0.981 220 R CB -0.150 30.101 30.300 -0.081 0.000 0.870 220 R HN 0.155 nan 8.270 nan 0.000 0.451 221 D N 0.932 121.392 120.400 0.100 0.000 2.351 221 D HA -0.127 4.513 4.640 0.000 0.000 0.216 221 D C 1.333 177.663 176.300 0.050 0.000 0.968 221 D CA 1.010 55.051 54.000 0.068 0.000 0.899 221 D CB 0.015 40.839 40.800 0.042 0.000 0.907 221 D HN 0.345 nan 8.370 nan 0.000 0.514 222 Q N -0.998 118.844 119.800 0.070 0.000 2.482 222 Q HA -0.008 4.332 4.340 0.000 0.000 0.209 222 Q C -0.284 175.513 176.000 -0.338 0.000 0.961 222 Q CA 0.475 56.203 55.803 -0.126 0.000 0.945 222 Q CB 0.318 28.940 28.738 -0.193 0.000 1.012 222 Q HN 0.336 nan 8.270 nan 0.000 0.515 223 Y N -0.626 119.658 120.300 -0.026 0.000 2.570 223 Y HA 0.475 5.025 4.550 0.000 0.000 0.345 223 Y C -0.059 175.816 175.900 -0.043 0.000 1.014 223 Y CA -1.070 57.010 58.100 -0.033 0.000 1.063 223 Y CB 1.878 40.333 38.460 -0.009 0.000 1.272 223 Y HN -0.194 nan 8.280 nan 0.000 0.477 224 E N 0.704 120.965 120.200 0.102 0.000 2.446 224 E HA 0.649 4.999 4.350 0.000 0.000 0.276 224 E C -1.775 174.847 176.600 0.037 0.000 0.969 224 E CA -0.924 55.496 56.400 0.033 0.000 0.800 224 E CB 2.728 32.405 29.700 -0.037 0.000 1.341 224 E HN 0.424 nan 8.360 nan 0.000 0.460 225 L N 1.617 122.858 121.223 0.029 0.000 2.346 225 L HA 0.497 4.837 4.340 0.000 0.000 0.274 225 L C -0.698 176.184 176.870 0.019 0.000 1.007 225 L CA -0.864 54.002 54.840 0.043 0.000 0.818 225 L CB 1.091 43.199 42.059 0.082 0.000 1.284 225 L HN 0.289 nan 8.230 nan 0.000 0.424 226 L N 1.795 123.039 121.223 0.035 0.000 2.305 226 L HA 0.393 4.733 4.340 0.000 0.000 0.281 226 L C -0.470 176.437 176.870 0.062 0.000 1.085 226 L CA -0.394 54.471 54.840 0.042 0.000 0.813 226 L CB 1.012 43.122 42.059 0.085 0.000 1.157 226 L HN 0.659 nan 8.230 nan 0.000 0.436 227 c N 2.694 121.315 118.600 0.036 0.000 2.349 227 c HA 0.322 4.892 4.570 0.000 0.000 0.361 227 c C 1.874 175.979 174.090 0.025 0.000 1.189 227 c CA -0.808 55.532 56.329 0.018 0.000 2.155 227 c CB 1.352 43.855 42.510 -0.011 0.000 2.336 227 c HN 0.823 nan 8.230 nan 0.000 0.540 228 L N 1.258 122.484 121.223 0.005 0.000 2.265 228 L HA -0.125 4.216 4.340 0.000 0.000 0.215 228 L C 1.636 178.512 176.870 0.010 0.000 1.117 228 L CA 1.427 56.274 54.840 0.012 0.000 0.782 228 L CB -0.431 41.624 42.059 -0.006 0.000 0.914 228 L HN 0.803 nan 8.230 nan 0.000 0.441 229 D N -1.843 118.556 120.400 -0.000 0.000 2.325 229 D HA -0.077 4.564 4.640 0.000 0.000 0.234 229 D C 0.087 176.394 176.300 0.012 0.000 1.122 229 D CA -0.147 53.854 54.000 0.002 0.000 0.850 229 D CB -0.581 40.214 40.800 -0.008 0.000 0.921 229 D HN 0.145 nan 8.370 nan 0.000 0.513 230 N N 0.117 118.832 118.700 0.025 0.000 2.740 230 N HA -0.156 4.584 4.740 0.000 0.000 0.248 230 N C -0.388 175.133 175.510 0.018 0.000 1.062 230 N CA 1.433 54.503 53.050 0.034 0.000 0.704 230 N CB -2.097 36.414 38.487 0.040 0.000 0.968 230 N HN 0.658 nan 8.380 nan 0.000 0.547 231 T N -3.056 111.502 114.554 0.006 0.000 2.927 231 T HA 0.741 5.091 4.350 0.000 0.000 0.286 231 T C 0.191 174.883 174.700 -0.014 0.000 1.040 231 T CA -0.887 61.209 62.100 -0.007 0.000 1.010 231 T CB 2.610 71.472 68.868 -0.011 0.000 1.177 231 T HN 0.161 nan 8.240 nan 0.000 0.546 232 R N 0.043 120.527 120.500 -0.027 0.000 2.711 232 R HA 0.704 5.044 4.340 0.000 0.000 0.284 232 R C -0.604 175.682 176.300 -0.023 0.000 0.968 232 R CA -0.913 55.165 56.100 -0.036 0.000 0.924 232 R CB 1.890 32.150 30.300 -0.068 0.000 1.162 232 R HN 0.590 nan 8.270 nan 0.000 0.465 233 K N 1.742 122.135 120.400 -0.012 0.000 2.482 233 K HA 0.458 4.778 4.320 0.000 0.000 0.257 233 K C -2.686 173.921 176.600 0.012 0.000 0.969 233 K CA -2.148 54.136 56.287 -0.004 0.000 0.842 233 K CB 2.282 34.778 32.500 -0.006 0.000 1.359 233 K HN 0.284 nan 8.250 nan 0.000 0.441 234 P HA -0.061 nan 4.420 nan 0.000 0.270 234 P C 0.857 178.197 177.300 0.066 0.000 1.223 234 P CA -0.374 62.747 63.100 0.036 0.000 0.785 234 P CB 0.435 32.155 31.700 0.033 0.000 0.923 235 V N -1.989 117.971 119.914 0.077 0.000 3.241 235 V HA -0.114 4.006 4.120 0.000 0.000 0.269 235 V C 1.035 177.294 176.094 0.274 0.000 1.151 235 V CA 1.617 63.980 62.300 0.106 0.000 1.158 235 V CB -1.166 30.633 31.823 -0.039 0.000 0.764 235 V HN 0.263 nan 8.190 nan 0.000 0.508 236 D N 1.098 121.644 120.400 0.243 0.000 2.317 236 D HA -0.018 4.622 4.640 0.000 0.000 0.211 236 D C 1.517 177.805 176.300 -0.020 0.000 0.966 236 D CA 0.931 55.087 54.000 0.259 0.000 0.876 236 D CB 0.034 40.927 40.800 0.155 0.000 0.927 236 D HN 0.688 nan 8.370 nan 0.000 0.519 237 E N 0.486 120.675 120.200 -0.018 0.000 2.336 237 E HA 0.009 4.359 4.350 0.000 0.000 0.214 237 E C 0.737 177.248 176.600 -0.149 0.000 1.144 237 E CA -0.302 56.014 56.400 -0.140 0.000 1.294 237 E CB -0.078 29.585 29.700 -0.063 0.000 1.263 237 E HN 0.472 nan 8.360 nan 0.000 0.439 238 Y N -0.082 120.233 120.300 0.026 0.000 2.315 238 Y HA -0.114 4.436 4.550 0.000 0.000 0.288 238 Y C 1.734 177.566 175.900 -0.113 0.000 1.154 238 Y CA 0.595 58.682 58.100 -0.021 0.000 1.229 238 Y CB -0.315 38.148 38.460 0.006 0.000 0.980 238 Y HN -0.012 nan 8.280 nan 0.000 0.540 239 E N 0.891 120.864 120.200 -0.378 0.000 2.118 239 E HA -0.214 4.136 4.350 0.000 0.000 0.195 239 E C 1.484 178.069 176.600 -0.025 0.000 0.992 239 E CA 1.729 58.023 56.400 -0.178 0.000 0.804 239 E CB -0.216 29.386 29.700 -0.162 0.000 0.741 239 E HN 0.753 nan 8.360 nan 0.000 0.458 240 Q N -1.100 118.639 119.800 -0.102 0.000 2.247 240 Q HA 0.135 4.475 4.340 0.000 0.000 0.204 240 Q C 0.451 176.361 176.000 -0.149 0.000 0.872 240 Q CA 0.030 55.763 55.803 -0.117 0.000 0.951 240 Q CB 0.785 29.472 28.738 -0.085 0.000 1.099 240 Q HN 0.066 nan 8.270 nan 0.000 0.501 241 c N 2.249 120.778 118.600 -0.119 0.000 3.319 241 c HA 0.280 4.850 4.570 0.000 0.000 0.200 241 c C -0.896 173.212 174.090 0.030 0.000 1.332 241 c CA -0.532 55.754 56.329 -0.072 0.000 1.170 241 c CB -0.797 41.708 42.510 -0.008 0.000 1.855 241 c HN 0.606 nan 8.230 nan 0.000 0.593 242 H N 0.092 119.180 119.070 0.030 0.000 2.771 242 H HA 0.534 5.090 4.556 0.000 0.000 0.367 242 H C 0.038 175.443 175.328 0.128 0.000 1.172 242 H CA -0.851 55.252 56.048 0.093 0.000 1.186 242 H CB 1.056 30.856 29.762 0.063 0.000 1.790 242 H HN 0.301 nan 8.280 nan 0.000 0.556 243 L N 0.074 121.510 121.223 0.355 0.000 2.298 243 L HA 0.381 4.721 4.340 0.000 0.000 0.209 243 L C 0.851 177.890 176.870 0.283 0.000 1.084 243 L CA 0.869 55.853 54.840 0.240 0.000 0.816 243 L CB 0.166 42.347 42.059 0.202 0.000 0.967 243 L HN 0.791 nan 8.230 nan 0.000 0.460 244 A N -0.414 122.646 122.820 0.401 0.000 2.567 244 A HA 0.604 4.924 4.320 0.000 0.000 0.291 244 A C -1.194 176.537 177.584 0.244 0.000 1.048 244 A CA -0.726 51.495 52.037 0.307 0.000 0.661 244 A CB 1.004 20.103 19.000 0.165 0.000 1.288 244 A HN 0.012 nan 8.150 nan 0.000 0.424 245 R N -0.168 120.397 120.500 0.108 0.000 2.368 245 R HA 0.633 4.973 4.340 0.000 0.000 0.302 245 R C -0.487 175.767 176.300 -0.077 0.000 1.002 245 R CA -0.464 55.597 56.100 -0.064 0.000 0.929 245 R CB 1.693 31.877 30.300 -0.194 0.000 1.073 245 R HN 0.985 nan 8.270 nan 0.000 0.464 246 V N 0.061 119.850 119.914 -0.208 0.000 2.962 246 V HA 0.647 4.767 4.120 0.000 0.000 0.313 246 V C -2.705 173.170 176.094 -0.366 0.000 1.099 246 V CA -2.990 59.137 62.300 -0.288 0.000 0.971 246 V CB 2.077 33.696 31.823 -0.339 0.000 1.028 246 V HN 0.579 nan 8.190 nan 0.000 0.430 247 P HA 0.341 nan 4.420 nan 0.000 0.274 247 P C -0.016 177.386 177.300 0.169 0.000 1.246 247 P CA -0.041 62.960 63.100 -0.164 0.000 0.795 247 P CB 0.546 32.043 31.700 -0.337 0.000 1.006 248 S N -0.362 115.611 115.700 0.455 0.000 2.576 248 S HA 0.041 4.511 4.470 0.000 0.000 0.272 248 S C 0.330 175.401 174.600 0.785 0.000 1.352 248 S CA -0.146 58.518 58.200 0.773 0.000 1.021 248 S CB -0.453 63.145 63.200 0.663 0.000 0.887 248 S HN 0.381 nan 8.310 nan 0.000 0.542 249 H N 0.334 119.780 119.070 0.627 0.000 2.732 249 H HA 0.434 4.990 4.556 0.000 0.000 0.351 249 H C 0.211 175.790 175.328 0.419 0.000 1.090 249 H CA -0.180 56.157 56.048 0.480 0.000 1.431 249 H CB 0.701 30.737 29.762 0.457 0.000 1.447 249 H HN 0.639 nan 8.280 nan 0.000 0.582 250 A N 2.911 125.948 122.820 0.362 0.000 2.498 250 A HA 0.403 4.723 4.320 0.000 0.000 0.298 250 A C -0.823 176.880 177.584 0.198 0.000 1.075 250 A CA -0.697 51.483 52.037 0.238 0.000 0.714 250 A CB 1.326 20.282 19.000 -0.074 0.000 1.299 250 A HN 0.450 nan 8.150 nan 0.000 0.407 251 V N 2.181 122.221 119.914 0.211 0.000 2.455 251 V HA 0.408 4.529 4.120 0.000 0.000 0.273 251 V C 0.539 176.638 176.094 0.008 0.000 1.045 251 V CA -0.098 62.293 62.300 0.152 0.000 0.976 251 V CB 0.603 32.553 31.823 0.211 0.000 0.993 251 V HN 0.949 nan 8.190 nan 0.000 0.475 252 V N 2.618 122.504 119.914 -0.048 0.000 2.834 252 V HA 1.070 5.190 4.120 0.000 0.000 0.313 252 V C 0.033 176.054 176.094 -0.122 0.000 1.060 252 V CA -0.451 61.800 62.300 -0.082 0.000 0.989 252 V CB 1.579 33.363 31.823 -0.066 0.000 1.041 252 V HN 1.142 nan 8.190 nan 0.000 0.459 253 A N 2.140 124.895 122.820 -0.108 0.000 2.609 253 A HA 0.740 5.061 4.320 0.000 0.000 0.291 253 A C -0.259 177.261 177.584 -0.107 0.000 1.096 253 A CA -1.168 50.797 52.037 -0.120 0.000 0.684 253 A CB 1.252 20.194 19.000 -0.097 0.000 1.282 253 A HN 0.920 nan 8.150 nan 0.000 0.412 254 R N 0.383 120.806 120.500 -0.128 0.000 2.678 254 R HA 0.095 4.435 4.340 0.000 0.000 0.264 254 R C 0.953 177.207 176.300 -0.076 0.000 0.995 254 R CA 0.604 56.633 56.100 -0.119 0.000 1.098 254 R CB 0.326 30.521 30.300 -0.175 0.000 0.949 254 R HN 0.733 nan 8.270 nan 0.000 0.422 255 S N 0.438 116.104 115.700 -0.057 0.000 2.406 255 S HA -0.041 4.429 4.470 0.000 0.000 0.228 255 S C 0.480 175.064 174.600 -0.027 0.000 1.020 255 S CA 0.472 58.648 58.200 -0.039 0.000 0.965 255 S CB 0.325 63.508 63.200 -0.030 0.000 0.798 255 S HN 0.378 nan 8.310 nan 0.000 0.488 256 V N 1.214 121.116 119.914 -0.019 0.000 2.577 256 V HA 0.538 4.658 4.120 0.000 0.000 0.303 256 V C -0.397 175.705 176.094 0.013 0.000 1.042 256 V CA 0.618 62.918 62.300 0.000 0.000 0.872 256 V CB 0.903 32.733 31.823 0.011 0.000 0.998 256 V HN 0.489 nan 8.190 nan 0.000 0.423 257 D N 2.837 123.248 120.400 0.020 0.000 3.051 257 D HA -0.154 4.486 4.640 0.000 0.000 0.218 257 D C 1.220 177.520 176.300 -0.001 0.000 1.129 257 D CA 1.340 55.366 54.000 0.043 0.000 0.868 257 D CB -1.637 39.238 40.800 0.125 0.000 1.100 257 D HN 1.614 nan 8.370 nan 0.000 0.429 258 G N -0.631 108.151 108.800 -0.030 0.000 2.534 258 G HA2 0.171 4.131 3.960 0.000 0.000 0.217 258 G HA3 0.171 4.131 3.960 0.000 0.000 0.217 258 G C 1.149 176.029 174.900 -0.033 0.000 1.128 258 G CA 1.176 46.241 45.100 -0.059 0.000 0.784 258 G HN 1.345 nan 8.290 nan 0.000 0.542 259 K N -0.614 119.786 120.400 -0.000 0.000 3.291 259 K HA -0.202 4.118 4.320 0.000 0.000 0.290 259 K C 1.110 177.736 176.600 0.044 0.000 1.235 259 K CA 0.849 57.151 56.287 0.024 0.000 0.848 259 K CB -1.428 31.085 32.500 0.022 0.000 1.295 259 K HN 0.475 nan 8.250 nan 0.000 0.497 260 E N 1.397 121.619 120.200 0.038 0.000 2.187 260 E HA -0.247 4.103 4.350 0.000 0.000 0.199 260 E C 1.653 178.334 176.600 0.135 0.000 1.004 260 E CA 1.987 58.427 56.400 0.067 0.000 0.813 260 E CB -0.136 29.582 29.700 0.030 0.000 0.736 260 E HN 0.613 nan 8.360 nan 0.000 0.468 261 D N 0.903 121.374 120.400 0.118 0.000 2.123 261 D HA -0.163 4.477 4.640 0.000 0.000 0.200 261 D C 2.017 178.415 176.300 0.164 0.000 0.976 261 D CA 0.795 54.893 54.000 0.164 0.000 0.831 261 D CB -0.503 40.365 40.800 0.114 0.000 0.974 261 D HN 0.262 nan 8.370 nan 0.000 0.469 262 L N 0.409 121.699 121.223 0.111 0.000 2.017 262 L HA -0.118 4.222 4.340 0.000 0.000 0.208 262 L C 2.916 179.852 176.870 0.111 0.000 1.073 262 L CA 0.879 55.772 54.840 0.089 0.000 0.745 262 L CB -0.428 41.670 42.059 0.066 0.000 0.894 262 L HN -0.058 nan 8.230 nan 0.000 0.432 263 I N -0.984 119.672 120.570 0.143 0.000 2.151 263 I HA -0.380 3.790 4.170 0.000 0.000 0.243 263 I C 2.437 178.678 176.117 0.207 0.000 1.080 263 I CA 1.792 63.206 61.300 0.191 0.000 1.339 263 I CB -0.495 37.606 38.000 0.169 0.000 1.039 263 I HN 0.550 nan 8.210 nan 0.000 0.409 264 W N 2.205 123.541 121.300 0.060 0.000 2.436 264 W HA -0.161 4.499 4.660 0.000 0.000 0.284 264 W C 2.196 178.759 176.519 0.072 0.000 1.225 264 W CA 1.330 58.710 57.345 0.058 0.000 1.271 264 W CB -0.011 29.486 29.460 0.061 0.000 1.114 264 W HN 0.239 nan 8.180 nan 0.000 0.559 265 E N 0.651 120.781 120.200 -0.118 0.000 2.047 265 E HA -0.257 4.093 4.350 0.000 0.000 0.191 265 E C 2.300 178.787 176.600 -0.188 0.000 0.987 265 E CA 1.330 57.614 56.400 -0.195 0.000 0.799 265 E CB -0.411 29.273 29.700 -0.027 0.000 0.752 265 E HN 0.151 nan 8.360 nan 0.000 0.449 266 L N 1.123 122.297 121.223 -0.082 0.000 1.971 266 L HA -0.226 4.114 4.340 0.000 0.000 0.215 266 L C 2.260 179.095 176.870 -0.058 0.000 1.072 266 L CA 1.699 56.512 54.840 -0.044 0.000 0.758 266 L CB -0.518 41.560 42.059 0.031 0.000 0.889 266 L HN 0.219 nan 8.230 nan 0.000 0.433 267 L N -0.657 120.496 121.223 -0.117 0.000 2.131 267 L HA -0.203 4.137 4.340 0.000 0.000 0.210 267 L C 2.268 178.998 176.870 -0.232 0.000 1.092 267 L CA 1.396 56.113 54.840 -0.204 0.000 0.759 267 L CB -0.755 41.043 42.059 -0.435 0.000 0.903 267 L HN 0.447 nan 8.230 nan 0.000 0.435 268 N N -0.413 117.966 118.700 -0.535 0.000 2.216 268 N HA -0.167 4.573 4.740 0.000 0.000 0.183 268 N C 1.928 177.323 175.510 -0.191 0.000 1.017 268 N CA 1.077 53.797 53.050 -0.551 0.000 0.861 268 N CB 0.127 38.004 38.487 -1.017 0.000 0.986 268 N HN 0.226 nan 8.380 nan 0.000 0.428 269 Q N 0.033 119.761 119.800 -0.121 0.000 2.079 269 Q HA 0.016 4.356 4.340 0.000 0.000 0.200 269 Q C 2.086 178.185 176.000 0.165 0.000 0.974 269 Q CA 1.280 57.111 55.803 0.046 0.000 0.840 269 Q CB -0.534 28.238 28.738 0.057 0.000 0.898 269 Q HN 0.470 nan 8.270 nan 0.000 0.430 270 A N 2.269 125.187 122.820 0.162 0.000 1.892 270 A HA -0.287 4.033 4.320 0.000 0.000 0.218 270 A C 2.153 179.864 177.584 0.211 0.000 1.188 270 A CA 2.153 54.384 52.037 0.322 0.000 0.631 270 A CB -0.771 18.479 19.000 0.417 0.000 0.822 270 A HN 0.568 nan 8.150 nan 0.000 0.447 271 Q N -1.469 118.409 119.800 0.130 0.000 2.230 271 Q HA -0.153 4.187 4.340 0.000 0.000 0.202 271 Q C 1.348 177.329 176.000 -0.032 0.000 0.963 271 Q CA 1.336 57.173 55.803 0.056 0.000 0.866 271 Q CB -0.262 28.533 28.738 0.096 0.000 0.931 271 Q HN 0.539 nan 8.270 nan 0.000 0.452 272 E N 1.124 121.270 120.200 -0.090 0.000 2.072 272 E HA -0.168 4.182 4.350 0.000 0.000 0.191 272 E C 1.644 177.980 176.600 -0.441 0.000 0.985 272 E CA 1.511 57.758 56.400 -0.255 0.000 0.801 272 E CB -0.258 29.230 29.700 -0.353 0.000 0.750 272 E HN 0.699 nan 8.360 nan 0.000 0.452 273 H N -1.718 117.159 119.070 -0.321 0.000 2.431 273 H HA 0.096 4.653 4.556 0.000 0.000 0.295 273 H C 0.588 175.436 175.328 -0.800 0.000 1.038 273 H CA 0.829 56.462 56.048 -0.691 0.000 1.360 273 H CB 0.135 29.213 29.762 -1.140 0.000 1.433 273 H HN 0.049 nan 8.280 nan 0.000 0.536 274 F N -0.161 119.854 119.950 0.109 0.000 2.791 274 F HA 0.353 4.880 4.527 0.000 0.000 0.316 274 F C 1.384 177.087 175.800 -0.163 0.000 1.134 274 F CA -0.387 57.617 58.000 0.006 0.000 1.222 274 F CB 0.088 39.158 39.000 0.117 0.000 1.034 274 F HN 0.053 nan 8.300 nan 0.000 0.516 275 G N 0.382 109.173 108.800 -0.015 0.000 2.525 275 G HA2 0.068 4.028 3.960 0.000 0.000 0.276 275 G HA3 0.068 4.028 3.960 0.000 0.000 0.276 275 G C 1.186 176.082 174.900 -0.008 0.000 1.388 275 G CA -0.351 44.734 45.100 -0.025 0.000 1.050 275 G HN 0.086 nan 8.290 nan 0.000 0.520 276 K N 0.104 120.511 120.400 0.011 0.000 2.211 276 K HA -0.085 4.235 4.320 0.000 0.000 0.203 276 K C 2.111 178.665 176.600 -0.077 0.000 1.050 276 K CA 1.554 57.780 56.287 -0.101 0.000 0.945 276 K CB -0.060 32.217 32.500 -0.372 0.000 0.732 276 K HN 0.696 nan 8.250 nan 0.000 0.451 277 D N 0.896 121.275 120.400 -0.034 0.000 2.091 277 D HA -0.103 4.537 4.640 0.000 0.000 0.199 277 D C 0.560 176.849 176.300 -0.018 0.000 0.980 277 D CA 0.608 54.599 54.000 -0.015 0.000 0.831 277 D CB -0.089 40.711 40.800 0.000 0.000 0.987 277 D HN -0.137 nan 8.370 nan 0.000 0.460 278 K N 0.719 121.107 120.400 -0.019 0.000 2.339 278 K HA 0.156 4.476 4.320 0.000 0.000 0.260 278 K C 0.254 176.856 176.600 0.004 0.000 0.989 278 K CA 0.127 56.411 56.287 -0.005 0.000 0.888 278 K CB 0.594 33.095 32.500 0.001 0.000 0.983 278 K HN 0.166 nan 8.250 nan 0.000 0.515 279 S N -1.281 114.434 115.700 0.024 0.000 2.546 279 S HA 0.780 5.250 4.470 0.000 0.000 0.274 279 S C -0.718 173.917 174.600 0.059 0.000 1.121 279 S CA 0.104 58.316 58.200 0.020 0.000 0.887 279 S CB 1.646 64.849 63.200 0.004 0.000 1.094 279 S HN 0.835 nan 8.310 nan 0.000 0.474 280 G N 2.158 110.990 108.800 0.053 0.000 2.322 280 G HA2 0.315 4.275 3.960 0.000 0.000 0.295 280 G HA3 0.315 4.275 3.960 0.000 0.000 0.295 280 G C -0.777 174.155 174.900 0.052 0.000 1.369 280 G CA -0.491 44.663 45.100 0.091 0.000 0.821 280 G HN 0.521 nan 8.290 nan 0.000 0.536 281 D N -1.003 119.441 120.400 0.074 0.000 2.178 281 D HA 0.045 4.685 4.640 0.000 0.000 0.202 281 D C 0.340 176.679 176.300 0.065 0.000 0.974 281 D CA 1.282 55.313 54.000 0.052 0.000 0.841 281 D CB 0.126 40.959 40.800 0.056 0.000 0.953 281 D HN 0.122 nan 8.370 nan 0.000 0.478 282 F N 1.219 121.104 119.950 -0.108 0.000 2.477 282 F HA 0.338 4.865 4.527 0.000 0.000 0.335 282 F C -0.923 174.766 175.800 -0.185 0.000 1.130 282 F CA -0.751 57.118 58.000 -0.219 0.000 0.948 282 F CB 1.065 39.808 39.000 -0.428 0.000 1.154 282 F HN -0.321 nan 8.300 nan 0.000 0.439 283 Q N 5.989 125.162 119.800 -1.045 0.000 2.353 283 Q HA 0.310 4.650 4.340 0.000 0.000 0.268 283 Q C 0.036 175.277 176.000 -1.264 0.000 1.045 283 Q CA -0.934 54.374 55.803 -0.824 0.000 0.811 283 Q CB 2.906 31.401 28.738 -0.405 0.000 1.305 283 Q HN 0.802 nan 8.270 nan 0.000 0.447 284 L N 1.223 121.851 121.223 -0.991 0.000 2.156 284 L HA 0.034 4.374 4.340 0.000 0.000 0.208 284 L C 0.487 176.833 176.870 -0.874 0.000 1.095 284 L CA 1.656 55.907 54.840 -0.980 0.000 0.770 284 L CB 0.203 41.637 42.059 -1.041 0.000 0.914 284 L HN 0.620 nan 8.230 nan 0.000 0.439 285 F N -1.326 118.455 119.950 -0.282 0.000 2.837 285 F HA 0.462 4.990 4.527 0.000 0.000 0.298 285 F C 0.661 176.335 175.800 -0.210 0.000 1.161 285 F CA -0.360 57.506 58.000 -0.223 0.000 1.353 285 F CB -0.323 38.492 39.000 -0.308 0.000 0.951 285 F HN -0.094 nan 8.300 nan 0.000 0.508 286 S N -0.619 114.994 115.700 -0.145 0.000 2.636 286 S HA 0.739 5.209 4.470 0.000 0.000 0.266 286 S C -1.239 173.270 174.600 -0.152 0.000 1.147 286 S CA -0.473 57.652 58.200 -0.126 0.000 0.815 286 S CB 1.601 64.712 63.200 -0.149 0.000 1.119 286 S HN 0.036 nan 8.310 nan 0.000 0.470 287 S N 1.053 116.693 115.700 -0.100 0.000 2.669 287 S HA 0.460 4.930 4.470 0.000 0.000 0.304 287 S C -2.649 171.901 174.600 -0.083 0.000 1.021 287 S CA -0.714 57.444 58.200 -0.069 0.000 0.854 287 S CB 1.384 64.593 63.200 0.015 0.000 1.048 287 S HN 0.475 nan 8.310 nan 0.000 0.452 288 P HA 0.043 nan 4.420 nan 0.000 0.229 288 P C 0.698 177.820 177.300 -0.297 0.000 1.160 288 P CA 0.832 63.792 63.100 -0.234 0.000 0.777 288 P CB -0.224 31.294 31.700 -0.302 0.000 0.814 289 H N -0.477 118.556 119.070 -0.062 0.000 2.543 289 H HA 0.379 4.935 4.556 0.000 0.000 0.269 289 H C 1.272 176.509 175.328 -0.151 0.000 1.005 289 H CA 1.058 57.039 56.048 -0.112 0.000 1.146 289 H CB 0.135 29.872 29.762 -0.041 0.000 1.353 289 H HN 0.203 nan 8.280 nan 0.000 0.595 290 G N 0.416 109.215 108.800 -0.001 0.000 2.351 290 G HA2 -0.001 3.960 3.960 0.000 0.000 0.353 290 G HA3 -0.001 3.960 3.960 0.000 0.000 0.353 290 G C -1.464 173.457 174.900 0.034 0.000 1.358 290 G CA -1.125 43.981 45.100 0.010 0.000 0.995 290 G HN 0.055 nan 8.290 nan 0.000 0.611 291 K N 0.828 121.260 120.400 0.054 0.000 2.138 291 K HA 0.590 4.910 4.320 0.000 0.000 0.263 291 K C 0.513 177.179 176.600 0.109 0.000 0.965 291 K CA -0.511 55.809 56.287 0.054 0.000 0.868 291 K CB 0.779 33.301 32.500 0.036 0.000 1.083 291 K HN 0.581 nan 8.250 nan 0.000 0.443 292 N N 1.181 119.943 118.700 0.104 0.000 2.747 292 N HA -0.204 4.536 4.740 0.000 0.000 0.249 292 N C -1.089 174.523 175.510 0.170 0.000 1.107 292 N CA 0.700 53.847 53.050 0.161 0.000 0.707 292 N CB -1.371 37.254 38.487 0.231 0.000 1.054 292 N HN 0.474 nan 8.380 nan 0.000 0.555 293 L N 0.990 122.278 121.223 0.109 0.000 2.290 293 L HA 0.255 4.595 4.340 0.000 0.000 0.284 293 L C 1.926 178.757 176.870 -0.066 0.000 1.078 293 L CA -0.358 54.521 54.840 0.065 0.000 0.815 293 L CB 0.521 42.618 42.059 0.064 0.000 1.162 293 L HN 0.193 nan 8.230 nan 0.000 0.435 294 L N 1.544 122.694 121.223 -0.122 0.000 3.888 294 L HA -0.347 3.994 4.340 0.000 0.000 0.362 294 L C -0.384 176.056 176.870 -0.716 0.000 0.963 294 L CA 1.546 56.106 54.840 -0.466 0.000 2.926 294 L CB -1.141 40.399 42.059 -0.866 0.000 0.851 294 L HN 0.414 nan 8.230 nan 0.000 0.728 295 F N -0.828 119.245 119.950 0.205 0.000 2.613 295 F HA 0.522 5.049 4.527 0.000 0.000 0.314 295 F C 0.379 176.316 175.800 0.227 0.000 1.075 295 F CA -1.206 56.973 58.000 0.297 0.000 0.945 295 F CB 1.111 40.348 39.000 0.396 0.000 1.310 295 F HN -0.244 nan 8.300 nan 0.000 0.467 296 K N 0.730 121.350 120.400 0.366 0.000 2.382 296 K HA 0.084 4.404 4.320 0.000 0.000 0.275 296 K C -0.123 176.525 176.600 0.080 0.000 1.009 296 K CA -0.089 56.278 56.287 0.134 0.000 0.970 296 K CB 0.579 33.041 32.500 -0.063 0.000 0.934 296 K HN 0.515 nan 8.250 nan 0.000 0.479 297 D N 0.404 120.808 120.400 0.008 0.000 2.310 297 D HA -0.112 4.528 4.640 0.000 0.000 0.212 297 D C 1.461 177.660 176.300 -0.168 0.000 0.965 297 D CA 1.124 55.105 54.000 -0.031 0.000 0.879 297 D CB 0.120 40.887 40.800 -0.054 0.000 0.921 297 D HN 0.501 nan 8.370 nan 0.000 0.510 298 S N -0.669 114.908 115.700 -0.205 0.000 2.528 298 S HA 0.287 4.758 4.470 0.000 0.000 0.219 298 S C 1.115 175.638 174.600 -0.129 0.000 0.985 298 S CA -0.217 57.866 58.200 -0.194 0.000 0.914 298 S CB 0.052 63.073 63.200 -0.299 0.000 0.776 298 S HN 0.186 nan 8.310 nan 0.000 0.526 299 A N 0.769 123.390 122.820 -0.332 0.000 2.483 299 A HA 0.502 4.822 4.320 0.000 0.000 0.238 299 A C 0.168 177.027 177.584 -1.209 0.000 1.070 299 A CA -0.026 51.560 52.037 -0.752 0.000 0.770 299 A CB -0.081 18.306 19.000 -1.022 0.000 1.008 299 A HN 0.438 nan 8.150 nan 0.000 0.497 300 Y N 0.351 119.877 120.300 -1.291 0.000 2.445 300 Y HA 0.424 4.974 4.550 0.000 0.000 0.247 300 Y C 1.371 176.430 175.900 -1.401 0.000 1.129 300 Y CA 0.621 58.081 58.100 -1.067 0.000 1.251 300 Y CB 0.643 38.823 38.460 -0.466 0.000 1.176 300 Y HN 1.068 nan 8.280 nan 0.000 0.522 301 G N -1.212 106.377 108.800 -2.018 0.000 2.323 301 G HA2 0.346 4.306 3.960 0.000 0.000 0.291 301 G HA3 0.346 4.306 3.960 0.000 0.000 0.291 301 G C -1.916 171.942 174.900 -1.736 0.000 1.278 301 G CA -0.922 43.167 45.100 -1.685 0.000 0.860 301 G HN -0.171 nan 8.290 nan 0.000 0.504 302 F N -0.764 118.982 119.950 -0.340 0.000 2.579 302 F HA 0.884 5.411 4.527 0.000 0.000 0.324 302 F C -0.685 175.294 175.800 0.298 0.000 1.058 302 F CA -0.980 57.027 58.000 0.011 0.000 0.944 302 F CB 2.155 41.295 39.000 0.233 0.000 1.245 302 F HN 0.276 nan 8.300 nan 0.000 0.477 303 F N 0.946 121.336 119.950 0.733 0.000 2.551 303 F HA 0.433 4.961 4.527 0.000 0.000 0.316 303 F C 0.002 175.904 175.800 0.169 0.000 1.089 303 F CA -1.545 56.742 58.000 0.478 0.000 0.915 303 F CB 1.576 40.852 39.000 0.459 0.000 1.186 303 F HN 0.147 nan 8.300 nan 0.000 0.456 304 K N 2.086 122.305 120.400 -0.302 0.000 2.368 304 K HA 0.311 4.631 4.320 0.000 0.000 0.282 304 K C -0.930 175.476 176.600 -0.322 0.000 1.035 304 K CA -0.014 55.819 56.287 -0.757 0.000 0.973 304 K CB 0.911 32.592 32.500 -1.365 0.000 0.957 304 K HN 0.462 nan 8.250 nan 0.000 0.474 305 V N 7.947 127.650 119.914 -0.352 0.000 2.432 305 V HA 0.195 4.315 4.120 0.000 0.000 0.275 305 V C -2.035 173.778 176.094 -0.469 0.000 1.043 305 V CA -2.046 59.896 62.300 -0.595 0.000 0.925 305 V CB 1.310 32.887 31.823 -0.409 0.000 0.985 305 V HN 0.708 nan 8.190 nan 0.000 0.466 306 P HA 0.060 nan 4.420 nan 0.000 0.262 306 P C -1.845 175.326 177.300 -0.216 0.000 1.182 306 P CA -0.870 62.048 63.100 -0.303 0.000 0.761 306 P CB 0.171 31.710 31.700 -0.268 0.000 0.795 307 P HA -0.167 nan 4.420 nan 0.000 0.219 307 P C 1.334 178.586 177.300 -0.080 0.000 1.146 307 P CA 1.239 64.276 63.100 -0.105 0.000 0.808 307 P CB 0.241 31.893 31.700 -0.079 0.000 0.779 308 R N -0.111 120.344 120.500 -0.076 0.000 2.189 308 R HA 0.098 4.438 4.340 0.000 0.000 0.218 308 R C 1.263 177.538 176.300 -0.042 0.000 1.074 308 R CA 0.387 56.456 56.100 -0.052 0.000 0.991 308 R CB -1.526 28.747 30.300 -0.045 0.000 0.883 308 R HN 0.173 nan 8.270 nan 0.000 0.457 309 M N 2.329 121.893 119.600 -0.060 0.000 2.251 309 M HA 0.030 4.511 4.480 0.000 0.000 0.346 309 M C -0.612 175.687 176.300 -0.002 0.000 1.499 309 M CA -0.154 55.131 55.300 -0.024 0.000 1.128 309 M CB 0.472 33.035 32.600 -0.061 0.000 1.809 309 M HN 0.171 nan 8.290 nan 0.000 0.464 310 D N 3.728 124.149 120.400 0.034 0.000 2.567 310 D HA 0.409 5.049 4.640 0.000 0.000 0.275 310 D C 0.766 177.131 176.300 0.110 0.000 1.195 310 D CA -0.257 53.767 54.000 0.040 0.000 1.087 310 D CB 0.186 41.003 40.800 0.029 0.000 1.165 310 D HN 0.511 nan 8.370 nan 0.000 0.609 311 A N 0.066 122.945 122.820 0.099 0.000 1.865 311 A HA -0.261 4.059 4.320 0.000 0.000 0.217 311 A C 1.918 179.646 177.584 0.240 0.000 1.191 311 A CA 2.076 54.212 52.037 0.165 0.000 0.623 311 A CB -1.534 17.525 19.000 0.098 0.000 0.826 311 A HN 0.714 nan 8.150 nan 0.000 0.444 312 N N -0.585 118.227 118.700 0.187 0.000 2.069 312 N HA -0.166 4.574 4.740 0.000 0.000 0.191 312 N C 1.542 177.175 175.510 0.204 0.000 1.031 312 N CA 1.407 54.582 53.050 0.208 0.000 0.852 312 N CB -0.247 38.338 38.487 0.163 0.000 1.018 312 N HN 0.312 nan 8.380 nan 0.000 0.423 313 L N -0.093 121.234 121.223 0.173 0.000 2.056 313 L HA -0.145 4.195 4.340 0.000 0.000 0.207 313 L C 2.047 179.048 176.870 0.218 0.000 1.078 313 L CA 1.410 56.347 54.840 0.163 0.000 0.749 313 L CB -0.788 41.338 42.059 0.111 0.000 0.901 313 L HN 0.238 nan 8.230 nan 0.000 0.433 314 Y N -0.403 119.984 120.300 0.145 0.000 2.128 314 Y HA -0.272 4.278 4.550 0.000 0.000 0.284 314 Y C 2.227 178.317 175.900 0.316 0.000 1.154 314 Y CA 1.780 60.012 58.100 0.220 0.000 1.149 314 Y CB -0.214 38.334 38.460 0.148 0.000 0.976 314 Y HN 0.101 nan 8.280 nan 0.000 0.505 315 L N -0.401 120.945 121.223 0.205 0.000 2.109 315 L HA 0.111 4.451 4.340 0.000 0.000 0.207 315 L C 1.306 178.215 176.870 0.066 0.000 1.086 315 L CA 0.651 55.540 54.840 0.082 0.000 0.760 315 L CB -1.211 41.006 42.059 0.263 0.000 0.910 315 L HN 0.487 nan 8.230 nan 0.000 0.437 316 G N -1.639 107.248 108.800 0.145 0.000 2.730 316 G HA2 -0.338 3.623 3.960 0.000 0.000 0.686 316 G HA3 -0.338 3.623 3.960 0.000 0.000 0.686 316 G C -0.284 174.730 174.900 0.190 0.000 1.343 316 G CA 0.043 45.235 45.100 0.152 0.000 0.826 316 G HN 0.096 nan 8.290 nan 0.000 0.582 317 Y N 0.768 121.107 120.300 0.065 0.000 2.220 317 Y HA -0.041 4.510 4.550 0.000 0.000 0.291 317 Y C 2.778 178.703 175.900 0.041 0.000 1.129 317 Y CA 2.601 60.730 58.100 0.048 0.000 1.161 317 Y CB -0.064 38.409 38.460 0.022 0.000 0.997 317 Y HN 0.808 nan 8.280 nan 0.000 0.522 318 E N -1.410 118.760 120.200 -0.051 0.000 2.015 318 E HA -0.306 4.044 4.350 0.000 0.000 0.191 318 E C 2.116 178.639 176.600 -0.130 0.000 0.991 318 E CA 1.529 57.837 56.400 -0.154 0.000 0.802 318 E CB -1.365 28.311 29.700 -0.040 0.000 0.759 318 E HN 0.559 nan 8.360 nan 0.000 0.447 319 Y N 2.304 122.533 120.300 -0.119 0.000 2.102 319 Y HA -0.281 4.269 4.550 0.000 0.000 0.280 319 Y C 2.369 178.187 175.900 -0.136 0.000 1.178 319 Y CA 1.910 59.947 58.100 -0.105 0.000 1.146 319 Y CB -0.277 38.145 38.460 -0.064 0.000 0.968 319 Y HN -0.115 nan 8.280 nan 0.000 0.504 320 V N -1.018 118.916 119.914 0.034 0.000 2.490 320 V HA -0.303 3.818 4.120 0.000 0.000 0.250 320 V C 2.231 178.194 176.094 -0.219 0.000 1.061 320 V CA 2.291 64.563 62.300 -0.046 0.000 1.064 320 V CB -0.970 30.917 31.823 0.105 0.000 0.670 320 V HN 0.464 nan 8.190 nan 0.000 0.461 321 T N 0.012 114.378 114.554 -0.314 0.000 2.809 321 T HA -0.020 4.330 4.350 0.000 0.000 0.260 321 T C 2.130 176.658 174.700 -0.287 0.000 1.039 321 T CA 1.350 63.243 62.100 -0.346 0.000 1.141 321 T CB -0.321 68.188 68.868 -0.597 0.000 0.869 321 T HN 0.544 nan 8.240 nan 0.000 0.437 322 A N 1.099 123.732 122.820 -0.313 0.000 1.903 322 A HA -0.140 4.180 4.320 0.000 0.000 0.219 322 A C 2.519 179.898 177.584 -0.342 0.000 1.191 322 A CA 1.929 53.781 52.037 -0.310 0.000 0.638 322 A CB -1.185 17.609 19.000 -0.343 0.000 0.823 322 A HN 0.370 nan 8.150 nan 0.000 0.451 323 V N -0.647 118.995 119.914 -0.454 0.000 2.427 323 V HA -0.213 3.907 4.120 0.000 0.000 0.248 323 V C 2.566 178.494 176.094 -0.278 0.000 1.051 323 V CA 2.214 64.263 62.300 -0.418 0.000 1.048 323 V CB -0.832 30.643 31.823 -0.580 0.000 0.666 323 V HN 0.602 nan 8.190 nan 0.000 0.456 324 R N 0.683 121.030 120.500 -0.256 0.000 2.103 324 R HA -0.193 4.148 4.340 0.000 0.000 0.234 324 R C 2.330 178.569 176.300 -0.102 0.000 1.132 324 R CA 2.252 58.272 56.100 -0.134 0.000 0.925 324 R CB -0.469 29.768 30.300 -0.104 0.000 0.842 324 R HN 0.505 nan 8.270 nan 0.000 0.430 325 N N 0.445 119.070 118.700 -0.125 0.000 2.037 325 N HA -0.233 4.507 4.740 0.000 0.000 0.196 325 N C 1.629 177.079 175.510 -0.100 0.000 1.034 325 N CA 1.489 54.475 53.050 -0.107 0.000 0.861 325 N CB -0.607 37.804 38.487 -0.126 0.000 1.039 325 N HN 0.129 nan 8.380 nan 0.000 0.427 326 L N 1.708 122.855 121.223 -0.127 0.000 1.971 326 L HA -0.169 4.171 4.340 0.000 0.000 0.215 326 L C 2.126 178.962 176.870 -0.057 0.000 1.072 326 L CA 1.791 56.563 54.840 -0.113 0.000 0.758 326 L CB -0.383 41.592 42.059 -0.140 0.000 0.889 326 L HN 0.144 nan 8.230 nan 0.000 0.433 327 R N -0.967 119.513 120.500 -0.034 0.000 2.189 327 R HA -0.110 4.230 4.340 0.000 0.000 0.223 327 R C 1.513 177.814 176.300 0.001 0.000 1.092 327 R CA 0.968 57.074 56.100 0.009 0.000 0.989 327 R CB -0.144 30.177 30.300 0.035 0.000 0.876 327 R HN 0.329 nan 8.270 nan 0.000 0.457 328 E N -0.325 119.863 120.200 -0.019 0.000 2.465 328 E HA 0.084 4.434 4.350 0.000 0.000 0.191 328 E C 0.699 177.284 176.600 -0.025 0.000 1.053 328 E CA 0.230 56.621 56.400 -0.015 0.000 0.869 328 E CB 0.346 30.034 29.700 -0.020 0.000 0.977 328 E HN 0.394 nan 8.360 nan 0.000 0.483 329 G N 1.141 109.920 108.800 -0.036 0.000 2.309 329 G HA2 -0.281 3.679 3.960 0.000 0.000 0.286 329 G HA3 -0.281 3.679 3.960 0.000 0.000 0.286 329 G C 0.186 175.058 174.900 -0.047 0.000 1.002 329 G CA 0.507 45.580 45.100 -0.044 0.000 0.786 329 G HN 0.228 nan 8.290 nan 0.000 0.511 330 I N 0.193 120.733 120.570 -0.050 0.000 2.452 330 I HA 0.262 4.432 4.170 0.000 0.000 0.287 330 I C 0.851 176.932 176.117 -0.060 0.000 1.079 330 I CA -0.936 60.336 61.300 -0.048 0.000 1.387 330 I CB 0.337 38.310 38.000 -0.045 0.000 1.404 330 I HN 0.082 nan 8.210 nan 0.000 0.522 331 c N 9.170 127.738 118.600 -0.054 0.000 2.382 331 c HA 0.469 5.039 4.570 0.000 0.000 0.327 331 c C -1.485 172.577 174.090 -0.048 0.000 1.250 331 c CA -0.804 55.489 56.329 -0.059 0.000 1.707 331 c CB 1.780 44.252 42.510 -0.063 0.000 2.272 331 c HN 0.608 nan 8.230 nan 0.000 0.506 332 P HA 0.180 nan 4.420 nan 0.000 0.227 332 P C -0.437 176.842 177.300 -0.035 0.000 1.801 332 P CA -0.112 62.965 63.100 -0.039 0.000 0.971 332 P CB -0.362 31.313 31.700 -0.042 0.000 1.653 333 D N 0.512 120.890 120.400 -0.036 0.000 2.341 333 D HA -0.024 4.616 4.640 0.000 0.000 0.235 333 D C -2.085 174.201 176.300 -0.023 0.000 1.265 333 D CA -1.633 52.348 54.000 -0.031 0.000 0.888 333 D CB -1.613 39.169 40.800 -0.030 0.000 1.192 333 D HN 0.061 nan 8.370 nan 0.000 0.462 334 P HA -0.025 nan 4.420 nan 0.000 0.212 334 P C -0.674 176.619 177.300 -0.012 0.000 0.974 334 P CA 0.630 63.722 63.100 -0.014 0.000 1.226 334 P CB -0.111 31.582 31.700 -0.012 0.000 1.258 335 L N 3.105 124.321 121.223 -0.012 0.000 2.299 335 L HA 0.585 4.925 4.340 0.000 0.000 0.268 335 L C 0.256 177.123 176.870 -0.006 0.000 1.012 335 L CA -0.606 54.228 54.840 -0.010 0.000 0.816 335 L CB 1.631 43.683 42.059 -0.012 0.000 1.355 335 L HN 0.102 nan 8.230 nan 0.000 0.457 336 Q N -0.254 119.544 119.800 -0.004 0.000 2.378 336 Q HA 0.462 4.802 4.340 0.000 0.000 0.262 336 Q C -1.335 174.665 176.000 -0.000 0.000 0.978 336 Q CA 0.232 56.035 55.803 -0.001 0.000 0.918 336 Q CB 2.193 30.930 28.738 -0.001 0.000 1.415 336 Q HN 0.706 nan 8.270 nan 0.000 0.409 337 D N 0.995 121.397 120.400 0.002 0.000 4.260 337 D HA -0.077 4.563 4.640 0.000 0.000 0.245 337 D C 0.104 176.405 176.300 0.002 0.000 1.060 337 D CA 0.856 54.857 54.000 0.003 0.000 1.146 337 D CB -1.582 39.219 40.800 0.002 0.000 0.837 337 D HN 0.675 nan 8.370 nan 0.000 0.390 338 E N -1.247 118.955 120.200 0.004 0.000 2.476 338 E HA 0.372 4.722 4.350 0.000 0.000 0.199 338 E C 1.383 177.985 176.600 0.003 0.000 1.021 338 E CA 0.395 56.798 56.400 0.004 0.000 0.907 338 E CB 0.818 30.523 29.700 0.009 0.000 0.974 338 E HN 0.785 nan 8.360 nan 0.000 0.489 339 c N 2.215 120.818 118.600 0.005 0.000 3.305 339 c HA 0.250 4.820 4.570 0.000 0.000 0.566 339 c C 1.300 175.389 174.090 -0.001 0.000 1.178 339 c CA -0.206 56.126 56.329 0.004 0.000 1.317 339 c CB -1.698 40.819 42.510 0.011 0.000 1.634 339 c HN 0.406 nan 8.230 nan 0.000 0.643 340 K N 1.121 121.516 120.400 -0.007 0.000 2.044 340 K HA 0.220 4.540 4.320 0.000 0.000 0.204 340 K C 0.738 177.323 176.600 -0.026 0.000 1.045 340 K CA 1.072 57.350 56.287 -0.014 0.000 0.951 340 K CB 0.149 32.640 32.500 -0.015 0.000 0.738 340 K HN 0.554 nan 8.250 nan 0.000 0.443 341 A N 0.368 123.169 122.820 -0.031 0.000 2.549 341 A HA 0.509 4.829 4.320 0.000 0.000 0.297 341 A C -1.381 176.176 177.584 -0.045 0.000 1.061 341 A CA -0.672 51.333 52.037 -0.054 0.000 0.690 341 A CB 1.905 20.866 19.000 -0.066 0.000 1.287 341 A HN -0.057 nan 8.150 nan 0.000 0.402 342 V N 1.918 121.797 119.914 -0.058 0.000 2.394 342 V HA 0.377 4.497 4.120 0.000 0.000 0.282 342 V C 0.199 176.282 176.094 -0.019 0.000 1.031 342 V CA -0.445 61.843 62.300 -0.019 0.000 0.881 342 V CB 1.362 33.208 31.823 0.037 0.000 0.982 342 V HN 0.871 nan 8.190 nan 0.000 0.451 343 K N 5.591 125.986 120.400 -0.009 0.000 2.248 343 K HA 0.200 4.520 4.320 0.000 0.000 0.281 343 K C -0.710 175.908 176.600 0.030 0.000 1.054 343 K CA -0.338 55.950 56.287 0.001 0.000 0.903 343 K CB 0.542 33.027 32.500 -0.025 0.000 1.077 343 K HN 0.697 nan 8.250 nan 0.000 0.474 344 W N 6.181 127.413 121.300 -0.113 0.000 2.417 344 W HA 0.350 5.010 4.660 0.000 0.000 0.317 344 W C -0.863 175.629 176.519 -0.044 0.000 1.121 344 W CA -1.090 56.213 57.345 -0.070 0.000 1.208 344 W CB 1.395 30.815 29.460 -0.067 0.000 1.253 344 W HN 0.511 nan 8.180 nan 0.000 0.533 345 c N 5.822 124.251 118.600 -0.284 0.000 2.285 345 c HA 0.752 5.322 4.570 0.000 0.000 0.335 345 c C 0.231 174.346 174.090 0.041 0.000 1.267 345 c CA -0.176 56.090 56.329 -0.104 0.000 1.762 345 c CB -0.830 41.570 42.510 -0.183 0.000 2.365 345 c HN 0.586 nan 8.230 nan 0.000 0.527 346 A N 6.821 129.714 122.820 0.122 0.000 2.342 346 A HA 0.754 5.074 4.320 0.000 0.000 0.323 346 A C -0.538 177.090 177.584 0.073 0.000 1.125 346 A CA -0.532 51.601 52.037 0.160 0.000 0.785 346 A CB 0.634 19.741 19.000 0.179 0.000 1.221 346 A HN 0.913 nan 8.150 nan 0.000 0.463 347 L N 1.991 123.258 121.223 0.073 0.000 2.466 347 L HA 0.525 4.865 4.340 0.000 0.000 0.257 347 L C 1.502 178.399 176.870 0.044 0.000 1.189 347 L CA 0.209 55.068 54.840 0.031 0.000 0.813 347 L CB 0.025 42.096 42.059 0.020 0.000 1.118 347 L HN 1.162 nan 8.230 nan 0.000 0.471 348 G N -0.239 108.573 108.800 0.021 0.000 2.611 348 G HA2 -0.340 3.620 3.960 0.000 0.000 0.588 348 G HA3 -0.340 3.620 3.960 0.000 0.000 0.588 348 G C 0.791 175.718 174.900 0.046 0.000 1.333 348 G CA 0.690 45.816 45.100 0.044 0.000 0.915 348 G HN 0.967 nan 8.290 nan 0.000 0.543 349 H N -0.099 118.925 119.070 -0.076 0.000 2.293 349 H HA -0.108 4.448 4.556 0.000 0.000 0.300 349 H C 2.425 177.675 175.328 -0.130 0.000 1.082 349 H CA 2.323 58.273 56.048 -0.164 0.000 1.308 349 H CB -0.115 29.455 29.762 -0.319 0.000 1.375 349 H HN 0.676 nan 8.280 nan 0.000 0.495 350 H N 0.814 119.931 119.070 0.077 0.000 2.290 350 H HA -0.099 4.457 4.556 0.000 0.000 0.298 350 H C 2.225 177.568 175.328 0.026 0.000 1.087 350 H CA 1.261 57.346 56.048 0.061 0.000 1.291 350 H CB -0.219 29.619 29.762 0.125 0.000 1.369 350 H HN 0.540 nan 8.280 nan 0.000 0.492 351 E N 0.402 120.715 120.200 0.188 0.000 2.209 351 E HA -0.163 4.187 4.350 0.000 0.000 0.196 351 E C 2.406 179.062 176.600 0.094 0.000 0.993 351 E CA 0.226 56.716 56.400 0.150 0.000 0.819 351 E CB 0.085 29.882 29.700 0.161 0.000 0.745 351 E HN 0.132 nan 8.360 nan 0.000 0.477 352 R N 1.257 121.760 120.500 0.004 0.000 2.062 352 R HA -0.058 4.282 4.340 0.000 0.000 0.231 352 R C 2.363 178.630 176.300 -0.056 0.000 1.136 352 R CA 0.951 57.026 56.100 -0.040 0.000 0.948 352 R CB -0.895 29.334 30.300 -0.119 0.000 0.845 352 R HN 0.210 nan 8.270 nan 0.000 0.430 353 L N 0.808 121.945 121.223 -0.142 0.000 1.990 353 L HA -0.237 4.103 4.340 0.000 0.000 0.213 353 L C 2.705 179.607 176.870 0.053 0.000 1.072 353 L CA 2.025 56.823 54.840 -0.071 0.000 0.755 353 L CB -0.568 41.453 42.059 -0.063 0.000 0.889 353 L HN 0.237 nan 8.230 nan 0.000 0.432 354 K N -0.477 119.987 120.400 0.108 0.000 2.063 354 K HA -0.254 4.066 4.320 0.000 0.000 0.208 354 K C 2.370 179.092 176.600 0.204 0.000 1.048 354 K CA 1.908 58.312 56.287 0.196 0.000 0.928 354 K CB -0.290 32.325 32.500 0.193 0.000 0.713 354 K HN 0.405 nan 8.250 nan 0.000 0.442 355 c N 1.486 120.176 118.600 0.150 0.000 2.432 355 c HA -0.120 4.450 4.570 0.000 0.000 0.277 355 c C 2.084 176.203 174.090 0.048 0.000 1.249 355 c CA 1.284 57.699 56.329 0.144 0.000 1.725 355 c CB -0.914 41.670 42.510 0.124 0.000 2.028 355 c HN 0.560 nan 8.230 nan 0.000 0.477 356 D N 0.280 120.691 120.400 0.018 0.000 2.116 356 D HA -0.203 4.438 4.640 0.000 0.000 0.193 356 D C 2.023 178.296 176.300 -0.044 0.000 0.998 356 D CA 1.972 55.959 54.000 -0.023 0.000 0.836 356 D CB -0.736 40.054 40.800 -0.016 0.000 0.951 356 D HN 0.793 nan 8.370 nan 0.000 0.449 357 E N -0.516 119.682 120.200 -0.004 0.000 2.085 357 E HA -0.212 4.138 4.350 0.000 0.000 0.194 357 E C 1.950 178.373 176.600 -0.295 0.000 0.994 357 E CA 1.106 57.484 56.400 -0.037 0.000 0.801 357 E CB -0.242 29.543 29.700 0.142 0.000 0.743 357 E HN 0.307 nan 8.360 nan 0.000 0.453 358 W N 0.953 121.843 121.300 -0.683 0.000 2.425 358 W HA 0.034 4.694 4.660 0.000 0.000 0.277 358 W C 2.334 178.477 176.519 -0.626 0.000 1.231 358 W CA 1.190 57.880 57.345 -1.092 0.000 1.248 358 W CB -0.717 28.267 29.460 -0.793 0.000 1.117 358 W HN 0.083 nan 8.180 nan 0.000 0.568 359 S N -0.304 115.221 115.700 -0.293 0.000 2.336 359 S HA -0.175 4.295 4.470 0.000 0.000 0.214 359 S C 2.012 176.476 174.600 -0.226 0.000 1.032 359 S CA 2.060 60.080 58.200 -0.300 0.000 1.001 359 S CB -0.909 62.176 63.200 -0.192 0.000 0.953 359 S HN -0.034 nan 8.310 nan 0.000 0.430 360 V N 1.765 121.589 119.914 -0.149 0.000 2.226 360 V HA -0.300 3.820 4.120 0.000 0.000 0.254 360 V C 2.546 178.584 176.094 -0.093 0.000 1.065 360 V CA 2.632 64.876 62.300 -0.095 0.000 1.039 360 V CB -1.672 30.120 31.823 -0.052 0.000 0.653 360 V HN 0.609 nan 8.190 nan 0.000 0.450 361 T N 0.394 114.881 114.554 -0.112 0.000 2.822 361 T HA -0.179 4.171 4.350 0.000 0.000 0.270 361 T C 1.815 176.496 174.700 -0.031 0.000 1.064 361 T CA 1.729 63.806 62.100 -0.039 0.000 1.131 361 T CB -0.384 68.456 68.868 -0.045 0.000 0.858 361 T HN 0.743 nan 8.240 nan 0.000 0.483 362 S N 0.361 115.955 115.700 -0.176 0.000 2.496 362 S HA 0.354 4.824 4.470 0.000 0.000 0.224 362 S C 1.666 176.223 174.600 -0.072 0.000 0.996 362 S CA 0.248 58.358 58.200 -0.149 0.000 0.927 362 S CB -0.218 62.782 63.200 -0.332 0.000 0.774 362 S HN 0.775 nan 8.310 nan 0.000 0.524 363 G N 1.114 109.868 108.800 -0.076 0.000 2.291 363 G HA2 0.196 4.156 3.960 0.000 0.000 0.271 363 G HA3 0.196 4.156 3.960 0.000 0.000 0.271 363 G C 0.821 175.675 174.900 -0.077 0.000 1.099 363 G CA 0.039 45.109 45.100 -0.050 0.000 0.919 363 G HN 1.612 nan 8.290 nan 0.000 0.496 364 G N -1.570 107.160 108.800 -0.117 0.000 2.203 364 G HA2 -0.268 3.692 3.960 0.000 0.000 0.263 364 G HA3 -0.268 3.692 3.960 0.000 0.000 0.263 364 G C 1.215 176.029 174.900 -0.143 0.000 1.012 364 G CA 1.012 46.035 45.100 -0.127 0.000 0.749 364 G HN 1.422 nan 8.290 nan 0.000 0.512 365 L N -0.778 120.340 121.223 -0.174 0.000 2.291 365 L HA 0.262 4.602 4.340 0.000 0.000 0.214 365 L C 1.210 177.929 176.870 -0.253 0.000 1.120 365 L CA 0.663 55.401 54.840 -0.169 0.000 0.799 365 L CB -0.002 41.972 42.059 -0.142 0.000 0.925 365 L HN 0.245 nan 8.230 nan 0.000 0.446 366 I N -0.081 120.254 120.570 -0.392 0.000 2.436 366 I HA 0.280 4.450 4.170 0.000 0.000 0.289 366 I C -0.273 175.644 176.117 -0.333 0.000 1.010 366 I CA -0.243 60.756 61.300 -0.501 0.000 1.098 366 I CB 1.769 39.090 38.000 -1.132 0.000 1.266 366 I HN 0.040 nan 8.210 nan 0.000 0.434 367 E N 4.005 124.090 120.200 -0.191 0.000 2.207 367 E HA 0.499 4.849 4.350 0.000 0.000 0.270 367 E C -1.344 175.232 176.600 -0.040 0.000 0.927 367 E CA -0.476 55.859 56.400 -0.107 0.000 0.799 367 E CB 2.186 31.845 29.700 -0.069 0.000 1.172 367 E HN 0.531 nan 8.360 nan 0.000 0.404 368 c N 2.644 121.231 118.600 -0.021 0.000 2.298 368 c HA 0.522 5.093 4.570 0.000 0.000 0.323 368 c C -0.115 173.991 174.090 0.027 0.000 1.284 368 c CA -0.720 55.630 56.329 0.035 0.000 1.577 368 c CB 0.419 42.941 42.510 0.020 0.000 2.249 368 c HN 0.714 nan 8.230 nan 0.000 0.497 369 E N 1.718 121.942 120.200 0.040 0.000 2.244 369 E HA 0.746 5.096 4.350 0.000 0.000 0.266 369 E C -0.572 176.040 176.600 0.020 0.000 0.914 369 E CA -0.041 56.367 56.400 0.012 0.000 0.794 369 E CB 1.615 31.309 29.700 -0.010 0.000 1.210 369 E HN 0.793 nan 8.360 nan 0.000 0.414 370 S N 0.785 116.489 115.700 0.006 0.000 2.599 370 S HA 0.999 5.470 4.470 0.000 0.000 0.287 370 S C -0.854 173.740 174.600 -0.011 0.000 1.105 370 S CA -0.565 57.639 58.200 0.006 0.000 0.899 370 S CB 1.802 65.007 63.200 0.008 0.000 1.100 370 S HN 0.705 nan 8.310 nan 0.000 0.482 371 A N 0.503 123.313 122.820 -0.016 0.000 2.602 371 A HA 0.801 5.121 4.320 0.000 0.000 0.290 371 A C -0.377 177.185 177.584 -0.036 0.000 1.114 371 A CA -0.551 51.467 52.037 -0.032 0.000 0.683 371 A CB 0.958 19.929 19.000 -0.050 0.000 1.281 371 A HN 0.639 nan 8.150 nan 0.000 0.416 372 E N 0.003 120.175 120.200 -0.047 0.000 2.452 372 E HA 0.174 4.524 4.350 0.000 0.000 0.197 372 E C 0.477 177.026 176.600 -0.086 0.000 1.022 372 E CA 1.322 57.689 56.400 -0.055 0.000 0.890 372 E CB 0.561 30.232 29.700 -0.048 0.000 0.918 372 E HN 0.848 nan 8.360 nan 0.000 0.496 373 T N -4.134 110.362 114.554 -0.096 0.000 2.883 373 T HA 0.409 4.760 4.350 0.000 0.000 0.301 373 T C -2.403 172.198 174.700 -0.167 0.000 1.158 373 T CA -1.998 60.023 62.100 -0.132 0.000 1.007 373 T CB 2.222 71.017 68.868 -0.120 0.000 1.186 373 T HN -0.360 nan 8.240 nan 0.000 0.499 374 P HA -0.030 nan 4.420 nan 0.000 0.215 374 P C 1.345 178.461 177.300 -0.307 0.000 1.157 374 P CA 1.134 64.006 63.100 -0.381 0.000 0.868 374 P CB 0.118 31.299 31.700 -0.865 0.000 0.788 375 E N -0.538 119.505 120.200 -0.262 0.000 2.118 375 E HA -0.200 4.150 4.350 0.000 0.000 0.195 375 E C 1.576 178.101 176.600 -0.125 0.000 0.992 375 E CA 1.222 57.521 56.400 -0.167 0.000 0.804 375 E CB -0.459 29.172 29.700 -0.116 0.000 0.741 375 E HN 0.270 nan 8.360 nan 0.000 0.458 376 D N -0.102 120.229 120.400 -0.115 0.000 2.178 376 D HA -0.112 4.528 4.640 0.000 0.000 0.202 376 D C 1.864 178.106 176.300 -0.096 0.000 0.974 376 D CA 0.609 54.557 54.000 -0.088 0.000 0.841 376 D CB -0.415 40.341 40.800 -0.073 0.000 0.953 376 D HN 0.190 nan 8.370 nan 0.000 0.478 377 c N 0.249 118.777 118.600 -0.121 0.000 2.440 377 c HA -0.010 4.560 4.570 0.000 0.000 0.278 377 c C 2.777 176.785 174.090 -0.137 0.000 1.295 377 c CA 0.022 56.276 56.329 -0.125 0.000 1.738 377 c CB -0.879 41.549 42.510 -0.137 0.000 1.987 377 c HN 0.320 nan 8.230 nan 0.000 0.492 378 I N 0.949 121.434 120.570 -0.142 0.000 2.315 378 I HA -0.180 3.990 4.170 0.000 0.000 0.248 378 I C 2.663 178.715 176.117 -0.108 0.000 1.117 378 I CA 1.449 62.669 61.300 -0.133 0.000 1.404 378 I CB -0.398 37.527 38.000 -0.125 0.000 1.071 378 I HN 0.287 nan 8.210 nan 0.000 0.419 379 A N 0.793 123.560 122.820 -0.088 0.000 1.873 379 A HA -0.203 4.117 4.320 0.000 0.000 0.215 379 A C 2.312 179.861 177.584 -0.057 0.000 1.186 379 A CA 1.453 53.455 52.037 -0.059 0.000 0.616 379 A CB -0.416 18.559 19.000 -0.042 0.000 0.823 379 A HN 0.277 nan 8.150 nan 0.000 0.442 380 K N -0.489 119.871 120.400 -0.068 0.000 2.103 380 K HA -0.123 4.197 4.320 0.000 0.000 0.207 380 K C 1.767 178.314 176.600 -0.089 0.000 1.048 380 K CA 1.657 57.906 56.287 -0.063 0.000 0.930 380 K CB -0.399 32.061 32.500 -0.067 0.000 0.716 380 K HN 0.569 nan 8.250 nan 0.000 0.444 381 I N 0.567 121.060 120.570 -0.127 0.000 2.353 381 I HA -0.220 3.951 4.170 0.000 0.000 0.248 381 I C 2.439 178.429 176.117 -0.212 0.000 1.119 381 I CA 0.871 62.068 61.300 -0.171 0.000 1.417 381 I CB -0.132 37.752 38.000 -0.194 0.000 1.078 381 I HN 0.161 nan 8.210 nan 0.000 0.421 382 M N 0.684 120.184 119.600 -0.166 0.000 2.108 382 M HA -0.205 4.275 4.480 0.000 0.000 0.261 382 M C 1.558 177.756 176.300 -0.169 0.000 1.066 382 M CA 1.582 56.782 55.300 -0.167 0.000 1.107 382 M CB -0.365 32.193 32.600 -0.070 0.000 1.356 382 M HN 0.340 nan 8.290 nan 0.000 0.406 383 N N -0.258 118.411 118.700 -0.052 0.000 2.321 383 N HA 0.057 4.797 4.740 0.000 0.000 0.242 383 N C 0.701 176.267 175.510 0.094 0.000 1.141 383 N CA 0.792 53.903 53.050 0.102 0.000 0.864 383 N CB 0.275 38.836 38.487 0.123 0.000 1.100 383 N HN 0.414 nan 8.380 nan 0.000 0.510 384 G N 1.272 110.027 108.800 -0.076 0.000 2.200 384 G HA2 -0.342 3.619 3.960 0.000 0.000 0.267 384 G HA3 -0.342 3.619 3.960 0.000 0.000 0.267 384 G C 0.690 175.595 174.900 0.009 0.000 0.993 384 G CA 0.821 45.905 45.100 -0.027 0.000 0.701 384 G HN 0.582 nan 8.290 nan 0.000 0.524 385 E N -0.251 119.948 120.200 -0.002 0.000 2.268 385 E HA 0.304 4.654 4.350 0.000 0.000 0.195 385 E C 1.497 178.077 176.600 -0.035 0.000 0.995 385 E CA 0.899 57.294 56.400 -0.007 0.000 0.836 385 E CB 0.046 29.742 29.700 -0.007 0.000 0.763 385 E HN 0.885 nan 8.360 nan 0.000 0.491 386 A N -0.096 122.682 122.820 -0.070 0.000 2.552 386 A HA 0.354 4.674 4.320 0.000 0.000 0.288 386 A C -0.687 176.818 177.584 -0.132 0.000 1.193 386 A CA -0.742 51.239 52.037 -0.094 0.000 0.713 386 A CB 1.260 20.190 19.000 -0.117 0.000 1.305 386 A HN -0.089 nan 8.150 nan 0.000 0.424 387 D N -0.718 119.591 120.400 -0.152 0.000 2.482 387 D HA 0.441 5.082 4.640 0.000 0.000 0.251 387 D C 0.401 176.557 176.300 -0.240 0.000 1.073 387 D CA 1.379 55.281 54.000 -0.164 0.000 0.892 387 D CB 1.095 41.835 40.800 -0.101 0.000 1.202 387 D HN 0.856 nan 8.370 nan 0.000 0.496 388 A N 0.875 123.460 122.820 -0.391 0.000 2.604 388 A HA 0.723 5.044 4.320 0.000 0.000 0.295 388 A C -1.216 175.598 177.584 -1.285 0.000 1.067 388 A CA -0.706 50.945 52.037 -0.644 0.000 0.683 388 A CB 1.747 20.440 19.000 -0.511 0.000 1.281 388 A HN 0.099 nan 8.150 nan 0.000 0.407 389 M N -0.264 118.693 119.600 -1.073 0.000 2.732 389 M HA 0.729 5.209 4.480 0.000 0.000 0.272 389 M C -0.936 175.178 176.300 -0.310 0.000 1.203 389 M CA -0.450 54.279 55.300 -0.952 0.000 0.841 389 M CB 1.631 33.925 32.600 -0.510 0.000 1.685 389 M HN 0.733 nan 8.290 nan 0.000 0.492 390 S N 1.057 116.772 115.700 0.025 0.000 2.565 390 S HA 0.907 5.377 4.470 0.000 0.000 0.290 390 S C -1.124 173.573 174.600 0.162 0.000 1.150 390 S CA -0.627 57.668 58.200 0.158 0.000 1.058 390 S CB 0.855 64.196 63.200 0.235 0.000 1.032 390 S HN 0.635 nan 8.310 nan 0.000 0.510 391 L N 2.495 123.834 121.223 0.193 0.000 2.434 391 L HA 0.423 4.764 4.340 0.000 0.000 0.260 391 L C -0.835 176.035 176.870 0.001 0.000 0.983 391 L CA -1.045 53.896 54.840 0.169 0.000 0.820 391 L CB 2.242 44.403 42.059 0.170 0.000 1.361 391 L HN 0.640 nan 8.230 nan 0.000 0.410 392 D N 0.865 121.089 120.400 -0.294 0.000 2.382 392 D HA 0.153 4.793 4.640 0.000 0.000 0.240 392 D C 1.331 177.540 176.300 -0.152 0.000 1.146 392 D CA 0.719 54.227 54.000 -0.819 0.000 0.897 392 D CB 1.794 42.142 40.800 -0.753 0.000 1.197 392 D HN 0.601 nan 8.370 nan 0.000 0.432 393 G N 2.146 110.940 108.800 -0.010 0.000 2.547 393 G HA2 -0.290 3.670 3.960 0.000 0.000 0.221 393 G HA3 -0.290 3.670 3.960 0.000 0.000 0.221 393 G C 1.393 176.440 174.900 0.246 0.000 1.140 393 G CA 0.941 46.119 45.100 0.129 0.000 0.760 393 G HN 0.646 nan 8.290 nan 0.000 0.583 394 G N -0.444 108.434 108.800 0.129 0.000 2.422 394 G HA2 -0.168 3.792 3.960 0.000 0.000 0.218 394 G HA3 -0.168 3.792 3.960 0.000 0.000 0.218 394 G C 1.587 176.585 174.900 0.162 0.000 1.146 394 G CA 0.962 46.145 45.100 0.138 0.000 0.769 394 G HN 0.438 nan 8.290 nan 0.000 0.547 395 Y N 0.133 120.508 120.300 0.125 0.000 2.475 395 Y HA 0.143 4.693 4.550 0.000 0.000 0.289 395 Y C 2.783 178.734 175.900 0.084 0.000 1.121 395 Y CA -0.655 57.492 58.100 0.079 0.000 1.257 395 Y CB -0.406 38.069 38.460 0.026 0.000 1.026 395 Y HN 0.047 nan 8.280 nan 0.000 0.555 396 V N -0.903 119.178 119.914 0.278 0.000 2.515 396 V HA -0.296 3.824 4.120 0.000 0.000 0.250 396 V C 2.051 178.259 176.094 0.190 0.000 1.058 396 V CA 1.642 64.078 62.300 0.228 0.000 1.064 396 V CB -0.772 31.235 31.823 0.306 0.000 0.675 396 V HN 0.407 nan 8.190 nan 0.000 0.461 397 Y N 0.653 121.032 120.300 0.132 0.000 2.114 397 Y HA -0.222 4.328 4.550 0.000 0.000 0.284 397 Y C 2.225 178.038 175.900 -0.143 0.000 1.143 397 Y CA 1.844 59.959 58.100 0.026 0.000 1.135 397 Y CB -0.194 38.328 38.460 0.103 0.000 0.980 397 Y HN 0.184 nan 8.280 nan 0.000 0.499 398 I N 0.168 120.793 120.570 0.091 0.000 2.208 398 I HA -0.352 3.818 4.170 0.000 0.000 0.245 398 I C 2.668 178.685 176.117 -0.167 0.000 1.097 398 I CA 1.337 62.614 61.300 -0.040 0.000 1.363 398 I CB -0.767 37.294 38.000 0.101 0.000 1.051 398 I HN 0.343 nan 8.210 nan 0.000 0.413 399 A N 0.747 123.502 122.820 -0.108 0.000 1.940 399 A HA -0.154 4.166 4.320 0.000 0.000 0.219 399 A C 2.413 179.848 177.584 -0.248 0.000 1.176 399 A CA 2.004 53.960 52.037 -0.134 0.000 0.631 399 A CB -1.378 17.582 19.000 -0.066 0.000 0.814 399 A HN 0.488 nan 8.150 nan 0.000 0.446 400 G N -1.545 106.977 108.800 -0.464 0.000 2.403 400 G HA2 -0.133 3.827 3.960 0.000 0.000 0.216 400 G HA3 -0.133 3.827 3.960 0.000 0.000 0.216 400 G C 1.522 175.989 174.900 -0.722 0.000 1.154 400 G CA 0.701 45.348 45.100 -0.755 0.000 0.784 400 G HN 0.478 nan 8.290 nan 0.000 0.538 401 Q N -0.241 119.112 119.800 -0.744 0.000 2.224 401 Q HA -0.053 4.287 4.340 0.000 0.000 0.203 401 Q C 2.108 177.979 176.000 -0.215 0.000 0.970 401 Q CA 0.713 56.257 55.803 -0.433 0.000 0.865 401 Q CB -0.294 28.193 28.738 -0.418 0.000 0.922 401 Q HN 0.490 nan 8.270 nan 0.000 0.445 402 c N 0.130 118.610 118.600 -0.201 0.000 2.524 402 c HA 0.290 4.860 4.570 0.000 0.000 0.301 402 c C 1.568 175.606 174.090 -0.086 0.000 1.296 402 c CA 0.311 56.578 56.329 -0.104 0.000 1.683 402 c CB -0.964 41.490 42.510 -0.093 0.000 1.764 402 c HN 0.734 nan 8.230 nan 0.000 0.597 403 G N 0.718 109.458 108.800 -0.100 0.000 2.179 403 G HA2 -0.228 3.732 3.960 0.000 0.000 0.260 403 G HA3 -0.228 3.732 3.960 0.000 0.000 0.260 403 G C 0.138 175.001 174.900 -0.061 0.000 0.977 403 G CA 0.113 45.177 45.100 -0.061 0.000 0.641 403 G HN 0.532 nan 8.290 nan 0.000 0.533 404 L N 0.353 121.523 121.223 -0.087 0.000 2.468 404 L HA 0.701 5.042 4.340 0.000 0.000 0.254 404 L C 1.078 177.932 176.870 -0.027 0.000 1.171 404 L CA -0.702 54.092 54.840 -0.076 0.000 0.809 404 L CB 1.086 43.087 42.059 -0.098 0.000 1.155 404 L HN 0.327 nan 8.230 nan 0.000 0.473 405 V N -1.699 118.205 119.914 -0.017 0.000 2.914 405 V HA 0.648 4.768 4.120 0.000 0.000 0.314 405 V C -2.655 173.440 176.094 0.003 0.000 1.084 405 V CA -2.254 60.060 62.300 0.024 0.000 0.963 405 V CB 1.649 33.485 31.823 0.022 0.000 1.025 405 V HN 0.551 nan 8.190 nan 0.000 0.432 406 P HA 0.325 nan 4.420 nan 0.000 0.278 406 P C 0.088 177.352 177.300 -0.059 0.000 1.238 406 P CA -0.048 63.014 63.100 -0.064 0.000 0.794 406 P CB 2.455 34.059 31.700 -0.160 0.000 0.955 407 V N 3.449 123.330 119.914 -0.055 0.000 2.950 407 V HA 0.307 4.428 4.120 0.000 0.000 0.231 407 V C 0.197 176.286 176.094 -0.008 0.000 1.205 407 V CA 0.655 62.948 62.300 -0.012 0.000 1.239 407 V CB 0.014 31.851 31.823 0.024 0.000 1.050 407 V HN 0.296 nan 8.190 nan 0.000 0.498 408 L N 1.038 122.267 121.223 0.011 0.000 2.401 408 L HA 0.829 5.169 4.340 0.000 0.000 0.266 408 L C -0.448 176.425 176.870 0.005 0.000 0.991 408 L CA -0.408 54.451 54.840 0.030 0.000 0.818 408 L CB 1.805 43.935 42.059 0.118 0.000 1.321 408 L HN 0.264 nan 8.230 nan 0.000 0.413 409 A N 1.880 124.690 122.820 -0.017 0.000 2.304 409 A HA 0.498 4.818 4.320 0.000 0.000 0.301 409 A C -0.350 177.240 177.584 0.010 0.000 1.132 409 A CA -0.454 51.594 52.037 0.018 0.000 0.819 409 A CB 0.599 19.657 19.000 0.098 0.000 1.094 409 A HN 0.751 nan 8.150 nan 0.000 0.492 410 E N 1.256 121.455 120.200 -0.003 0.000 2.223 410 E HA 0.142 4.492 4.350 0.000 0.000 0.282 410 E C -0.858 175.382 176.600 -0.600 0.000 1.046 410 E CA -0.246 56.001 56.400 -0.255 0.000 0.857 410 E CB 0.538 30.159 29.700 -0.131 0.000 1.055 410 E HN 0.518 nan 8.360 nan 0.000 0.409 411 N N 2.016 120.346 118.700 -0.616 0.000 2.400 411 N HA 0.179 4.919 4.740 0.000 0.000 0.288 411 N C -0.623 174.471 175.510 -0.693 0.000 1.024 411 N CA -0.222 52.492 53.050 -0.561 0.000 0.894 411 N CB 0.733 39.074 38.487 -0.244 0.000 1.173 411 N HN 0.406 nan 8.380 nan 0.000 0.487 412 Y N -0.111 120.128 120.300 -0.101 0.000 2.498 412 Y HA 0.278 4.828 4.550 0.000 0.000 0.259 412 Y C 1.531 177.367 175.900 -0.107 0.000 1.086 412 Y CA -0.025 57.993 58.100 -0.137 0.000 1.287 412 Y CB 0.558 38.922 38.460 -0.161 0.000 1.146 412 Y HN 0.433 nan 8.280 nan 0.000 0.523 413 E N 0.099 120.314 120.200 0.025 0.000 2.250 413 E HA 0.071 4.421 4.350 0.000 0.000 0.192 413 E C 0.480 177.066 176.600 -0.022 0.000 0.986 413 E CA 0.483 56.888 56.400 0.007 0.000 0.849 413 E CB 0.431 30.139 29.700 0.013 0.000 0.797 413 E HN 0.157 nan 8.360 nan 0.000 0.482 414 S N -0.525 115.149 115.700 -0.043 0.000 2.569 414 S HA 0.266 4.736 4.470 0.000 0.000 0.280 414 S C 0.567 175.136 174.600 -0.052 0.000 1.111 414 S CA -0.297 57.879 58.200 -0.041 0.000 0.887 414 S CB 1.606 64.787 63.200 -0.032 0.000 1.095 414 S HN 0.048 nan 8.310 nan 0.000 0.476 415 T N -0.584 113.947 114.554 -0.038 0.000 3.107 415 T HA 0.176 4.526 4.350 0.000 0.000 0.249 415 T C 0.179 174.865 174.700 -0.024 0.000 1.096 415 T CA 0.117 62.197 62.100 -0.033 0.000 1.012 415 T CB -0.378 68.477 68.868 -0.021 0.000 0.977 415 T HN 0.517 nan 8.240 nan 0.000 0.527 416 D N 0.978 121.364 120.400 -0.024 0.000 2.422 416 D HA 0.175 4.815 4.640 0.000 0.000 0.227 416 D C 0.755 177.046 176.300 -0.016 0.000 1.190 416 D CA -0.941 53.050 54.000 -0.015 0.000 0.905 416 D CB -0.132 40.660 40.800 -0.012 0.000 1.034 416 D HN 0.231 nan 8.370 nan 0.000 0.507 417 c N 3.903 122.497 118.600 -0.009 0.000 2.460 417 c HA -0.021 4.550 4.570 0.000 0.000 0.291 417 c C 1.732 175.823 174.090 0.003 0.000 1.493 417 c CA 0.022 56.348 56.329 -0.005 0.000 1.748 417 c CB -0.824 41.694 42.510 0.015 0.000 1.656 417 c HN 0.538 nan 8.230 nan 0.000 0.576 418 K N 0.588 120.989 120.400 0.003 0.000 2.374 418 K HA 0.130 4.450 4.320 0.000 0.000 0.196 418 K C 0.459 177.062 176.600 0.006 0.000 1.023 418 K CA 0.157 56.449 56.287 0.008 0.000 1.103 418 K CB 0.071 32.577 32.500 0.009 0.000 0.848 418 K HN 0.492 nan 8.250 nan 0.000 0.528 419 K N 1.599 121.997 120.400 -0.002 0.000 2.258 419 K HA 0.237 4.557 4.320 0.000 0.000 0.264 419 K C 0.469 177.072 176.600 0.005 0.000 1.007 419 K CA -0.048 56.238 56.287 -0.002 0.000 0.941 419 K CB 0.733 33.226 32.500 -0.011 0.000 0.966 419 K HN 0.034 nan 8.250 nan 0.000 0.480 420 A N 3.614 126.441 122.820 0.012 0.000 2.429 420 A HA 0.257 4.577 4.320 0.000 0.000 0.242 420 A C -2.083 175.518 177.584 0.027 0.000 1.088 420 A CA -0.908 51.144 52.037 0.025 0.000 0.784 420 A CB -0.639 18.377 19.000 0.027 0.000 1.038 420 A HN 0.388 nan 8.150 nan 0.000 0.501 421 P HA 0.253 nan 4.420 nan 0.000 0.271 421 P C -0.402 176.927 177.300 0.048 0.000 1.216 421 P CA -0.129 63.014 63.100 0.072 0.000 0.776 421 P CB 0.422 32.230 31.700 0.180 0.000 0.881 422 E N 1.035 121.255 120.200 0.034 0.000 2.428 422 E HA -0.049 4.302 4.350 0.000 0.000 0.257 422 E C 0.996 177.608 176.600 0.020 0.000 1.197 422 E CA 0.131 56.549 56.400 0.030 0.000 0.974 422 E CB 0.223 29.951 29.700 0.047 0.000 0.976 422 E HN 0.458 nan 8.360 nan 0.000 0.463 423 E N 0.311 120.513 120.200 0.004 0.000 2.418 423 E HA 0.082 4.432 4.350 0.000 0.000 0.197 423 E C 0.500 177.067 176.600 -0.055 0.000 1.026 423 E CA 0.351 56.732 56.400 -0.031 0.000 0.862 423 E CB 0.105 29.785 29.700 -0.033 0.000 0.799 423 E HN 0.569 nan 8.360 nan 0.000 0.518 424 G N 0.718 109.518 108.800 -0.000 0.000 2.362 424 G HA2 -0.050 3.911 3.960 0.000 0.000 0.656 424 G HA3 -0.050 3.911 3.960 0.000 0.000 0.656 424 G C -1.041 173.885 174.900 0.044 0.000 1.376 424 G CA -0.737 44.364 45.100 0.001 0.000 0.971 424 G HN 0.189 nan 8.290 nan 0.000 0.636 425 Y N -0.529 119.755 120.300 -0.027 0.000 2.316 425 Y HA 0.798 5.349 4.550 0.000 0.000 0.324 425 Y C 0.634 176.448 175.900 -0.144 0.000 1.267 425 Y CA -1.643 56.395 58.100 -0.105 0.000 1.311 425 Y CB 0.783 39.125 38.460 -0.196 0.000 1.267 425 Y HN 0.523 nan 8.280 nan 0.000 0.516 426 L N 2.749 123.961 121.223 -0.018 0.000 2.326 426 L HA 0.296 4.636 4.340 0.000 0.000 0.278 426 L C 0.194 177.055 176.870 -0.016 0.000 1.092 426 L CA -0.475 54.275 54.840 -0.150 0.000 0.810 426 L CB 1.485 43.406 42.059 -0.229 0.000 1.153 426 L HN 0.842 nan 8.230 nan 0.000 0.439 427 S N 3.417 119.104 115.700 -0.021 0.000 2.474 427 S HA 0.648 5.118 4.470 0.000 0.000 0.321 427 S C -0.504 174.151 174.600 0.092 0.000 1.080 427 S CA -0.660 57.579 58.200 0.064 0.000 1.106 427 S CB 0.896 64.114 63.200 0.030 0.000 0.984 427 S HN 0.413 nan 8.310 nan 0.000 0.464 428 V N 2.000 121.975 119.914 0.101 0.000 3.155 428 V HA 1.043 5.163 4.120 0.000 0.000 0.313 428 V C -0.360 175.797 176.094 0.106 0.000 1.162 428 V CA -1.095 61.252 62.300 0.078 0.000 1.048 428 V CB 1.330 33.175 31.823 0.036 0.000 1.092 428 V HN 1.021 nan 8.190 nan 0.000 0.447 429 A N 1.234 124.091 122.820 0.062 0.000 2.304 429 A HA 0.846 5.166 4.320 0.000 0.000 0.314 429 A C -0.739 176.824 177.584 -0.034 0.000 1.187 429 A CA -0.601 51.434 52.037 -0.005 0.000 0.810 429 A CB 1.226 20.303 19.000 0.129 0.000 1.183 429 A HN 1.309 nan 8.150 nan 0.000 0.487 430 V N 3.399 123.262 119.914 -0.086 0.000 2.513 430 V HA 0.680 4.800 4.120 0.000 0.000 0.299 430 V C 0.254 176.361 176.094 0.022 0.000 1.035 430 V CA -0.416 61.885 62.300 0.002 0.000 0.889 430 V CB 1.228 33.063 31.823 0.020 0.000 0.988 430 V HN 1.066 nan 8.190 nan 0.000 0.440 431 V N 1.622 121.606 119.914 0.117 0.000 3.158 431 V HA 0.685 4.805 4.120 0.000 0.000 0.311 431 V C -0.492 175.758 176.094 0.260 0.000 1.181 431 V CA -1.310 61.070 62.300 0.133 0.000 1.054 431 V CB 1.989 33.861 31.823 0.081 0.000 1.085 431 V HN 0.725 nan 8.190 nan 0.000 0.446 432 K N 0.490 120.995 120.400 0.176 0.000 2.218 432 K HA 0.347 4.668 4.320 0.000 0.000 0.276 432 K C 0.668 177.269 176.600 0.002 0.000 1.022 432 K CA -0.400 55.936 56.287 0.083 0.000 0.946 432 K CB 1.432 33.953 32.500 0.035 0.000 1.000 432 K HN 0.743 nan 8.250 nan 0.000 0.468 433 K N 1.243 121.586 120.400 -0.095 0.000 2.103 433 K HA -0.159 4.161 4.320 0.000 0.000 0.204 433 K C 2.053 178.620 176.600 -0.055 0.000 1.052 433 K CA 1.556 57.802 56.287 -0.067 0.000 0.945 433 K CB 0.004 32.440 32.500 -0.106 0.000 0.722 433 K HN 0.691 nan 8.250 nan 0.000 0.443 434 S N 1.406 117.059 115.700 -0.078 0.000 2.378 434 S HA -0.232 4.239 4.470 0.000 0.000 0.229 434 S C 1.032 175.619 174.600 -0.022 0.000 1.052 434 S CA 1.372 59.541 58.200 -0.050 0.000 1.084 434 S CB -0.613 62.555 63.200 -0.053 0.000 0.950 434 S HN 0.306 nan 8.310 nan 0.000 0.440 435 N N 3.228 121.922 118.700 -0.010 0.000 2.406 435 N HA 0.166 4.907 4.740 0.000 0.000 0.269 435 N C -1.440 174.077 175.510 0.012 0.000 1.210 435 N CA -1.481 51.572 53.050 0.005 0.000 0.966 435 N CB 1.277 39.773 38.487 0.015 0.000 1.293 435 N HN 0.394 nan 8.380 nan 0.000 0.491 436 P HA -0.023 nan 4.420 nan 0.000 0.225 436 P C 0.046 177.359 177.300 0.021 0.000 1.156 436 P CA 0.845 63.953 63.100 0.013 0.000 0.787 436 P CB 0.720 32.425 31.700 0.008 0.000 0.802 437 D N -0.174 120.240 120.400 0.023 0.000 2.324 437 D HA 0.070 4.710 4.640 0.000 0.000 0.212 437 D C 1.220 177.544 176.300 0.038 0.000 0.984 437 D CA -0.174 53.842 54.000 0.027 0.000 0.885 437 D CB -0.154 40.657 40.800 0.019 0.000 0.996 437 D HN 0.197 nan 8.370 nan 0.000 0.505 438 I N 1.822 122.418 120.570 0.045 0.000 2.775 438 I HA -0.100 4.071 4.170 0.000 0.000 0.290 438 I C -0.013 176.156 176.117 0.087 0.000 1.203 438 I CA 0.393 61.731 61.300 0.063 0.000 1.433 438 I CB 0.147 38.185 38.000 0.064 0.000 1.354 438 I HN 0.070 nan 8.210 nan 0.000 0.579 439 N N 4.970 123.737 118.700 0.113 0.000 3.106 439 N HA 0.100 4.840 4.740 0.000 0.000 0.253 439 N C 0.139 175.791 175.510 0.237 0.000 1.506 439 N CA -0.924 52.224 53.050 0.164 0.000 0.876 439 N CB 0.030 38.597 38.487 0.134 0.000 1.452 439 N HN 0.714 nan 8.380 nan 0.000 0.542 440 W N 0.626 121.975 121.300 0.081 0.000 2.335 440 W HA -0.112 4.548 4.660 0.000 0.000 0.311 440 W C 0.005 176.596 176.519 0.120 0.000 1.213 440 W CA 1.487 58.896 57.345 0.107 0.000 1.274 440 W CB -0.113 29.393 29.460 0.077 0.000 1.148 440 W HN 0.526 nan 8.180 nan 0.000 0.498 441 N N 0.999 119.755 118.700 0.092 0.000 2.501 441 N HA -0.091 4.649 4.740 0.000 0.000 0.195 441 N C 0.320 175.816 175.510 -0.023 0.000 1.213 441 N CA 0.744 53.786 53.050 -0.014 0.000 0.864 441 N CB -0.375 38.150 38.487 0.063 0.000 0.999 441 N HN 0.216 nan 8.380 nan 0.000 0.454 442 N N -0.117 118.578 118.700 -0.009 0.000 2.159 442 N HA 0.247 4.987 4.740 0.000 0.000 0.217 442 N C 1.307 176.804 175.510 -0.022 0.000 1.223 442 N CA -0.098 52.946 53.050 -0.009 0.000 0.896 442 N CB 0.565 39.071 38.487 0.032 0.000 1.064 442 N HN 0.099 nan 8.380 nan 0.000 0.518 443 L N 0.512 121.737 121.223 0.003 0.000 2.131 443 L HA -0.034 4.306 4.340 0.000 0.000 0.210 443 L C 0.141 176.887 176.870 -0.206 0.000 1.092 443 L CA 0.863 55.775 54.840 0.121 0.000 0.759 443 L CB -0.341 41.950 42.059 0.386 0.000 0.903 443 L HN 0.109 nan 8.230 nan 0.000 0.435 444 E N 0.791 120.612 120.200 -0.632 0.000 2.585 444 E HA 0.069 4.420 4.350 0.000 0.000 0.252 444 E C 1.085 177.368 176.600 -0.528 0.000 0.981 444 E CA 0.578 56.262 56.400 -1.193 0.000 0.943 444 E CB 0.173 29.392 29.700 -0.801 0.000 0.923 444 E HN 0.398 nan 8.360 nan 0.000 0.486 445 G N 3.002 111.556 108.800 -0.410 0.000 2.279 445 G HA2 -0.262 3.698 3.960 0.000 0.000 0.223 445 G HA3 -0.262 3.698 3.960 0.000 0.000 0.223 445 G C 0.454 175.380 174.900 0.042 0.000 1.015 445 G CA 0.128 45.156 45.100 -0.120 0.000 0.621 445 G HN 0.413 nan 8.290 nan 0.000 0.506 446 K N 0.598 121.079 120.400 0.135 0.000 2.273 446 K HA 0.678 4.998 4.320 0.000 0.000 0.240 446 K C 0.454 177.192 176.600 0.230 0.000 1.056 446 K CA -0.021 56.373 56.287 0.178 0.000 0.910 446 K CB 0.335 32.932 32.500 0.161 0.000 1.196 446 K HN 0.184 nan 8.250 nan 0.000 0.509 447 K N 0.536 120.999 120.400 0.105 0.000 2.235 447 K HA 0.308 4.628 4.320 0.000 0.000 0.266 447 K C -0.895 175.646 176.600 -0.098 0.000 0.980 447 K CA -0.517 55.796 56.287 0.044 0.000 0.849 447 K CB 1.606 34.126 32.500 0.033 0.000 1.098 447 K HN 0.663 nan 8.250 nan 0.000 0.445 448 S N 0.864 116.447 115.700 -0.196 0.000 2.607 448 S HA 0.639 5.109 4.470 0.000 0.000 0.303 448 S C -0.559 173.915 174.600 -0.209 0.000 1.086 448 S CA -0.779 57.191 58.200 -0.383 0.000 0.995 448 S CB 1.235 63.923 63.200 -0.854 0.000 1.084 448 S HN 0.592 nan 8.310 nan 0.000 0.507 449 c N 2.536 120.937 118.600 -0.331 0.000 2.535 449 c HA 0.703 5.273 4.570 0.000 0.000 0.319 449 c C -0.744 173.232 174.090 -0.190 0.000 1.171 449 c CA -0.542 55.686 56.329 -0.168 0.000 1.394 449 c CB 0.468 42.855 42.510 -0.204 0.000 1.990 449 c HN 0.955 nan 8.230 nan 0.000 0.466 450 H N 0.948 120.126 119.070 0.179 0.000 2.768 450 H HA 0.258 4.814 4.556 0.000 0.000 0.371 450 H C 0.807 176.216 175.328 0.135 0.000 1.151 450 H CA 0.006 56.204 56.048 0.250 0.000 1.165 450 H CB 2.133 32.098 29.762 0.338 0.000 1.722 450 H HN 0.719 nan 8.280 nan 0.000 0.543 451 T N 0.186 114.857 114.554 0.194 0.000 2.684 451 T HA 0.114 4.464 4.350 0.000 0.000 0.267 451 T C 0.845 175.523 174.700 -0.036 0.000 1.036 451 T CA 0.943 63.020 62.100 -0.038 0.000 1.148 451 T CB 0.157 68.907 68.868 -0.197 0.000 0.863 451 T HN 0.763 nan 8.240 nan 0.000 0.436 452 A N -0.099 122.770 122.820 0.080 0.000 2.549 452 A HA 0.520 4.841 4.320 0.000 0.000 0.297 452 A C -0.500 177.042 177.584 -0.070 0.000 0.983 452 A CA -0.533 51.558 52.037 0.090 0.000 0.654 452 A CB 0.429 19.568 19.000 0.231 0.000 1.319 452 A HN 1.271 nan 8.150 nan 0.000 0.428 453 V N 0.016 119.744 119.914 -0.310 0.000 2.715 453 V HA 0.585 4.705 4.120 0.000 0.000 0.299 453 V C 0.561 176.384 176.094 -0.452 0.000 1.054 453 V CA 1.393 63.175 62.300 -0.865 0.000 1.077 453 V CB 0.834 32.022 31.823 -1.059 0.000 0.972 453 V HN 1.245 nan 8.190 nan 0.000 0.484 454 D N 1.157 121.251 120.400 -0.510 0.000 2.748 454 D HA -0.156 4.484 4.640 0.000 0.000 0.189 454 D C 0.592 176.769 176.300 -0.206 0.000 0.982 454 D CA 1.468 55.369 54.000 -0.165 0.000 1.017 454 D CB -0.661 40.133 40.800 -0.010 0.000 1.076 454 D HN 0.900 nan 8.370 nan 0.000 0.446 455 R N 0.347 120.712 120.500 -0.224 0.000 2.615 455 R HA 0.406 4.746 4.340 0.000 0.000 0.270 455 R C 1.662 177.973 176.300 0.019 0.000 1.081 455 R CA 0.354 56.307 56.100 -0.245 0.000 1.154 455 R CB 0.470 30.615 30.300 -0.259 0.000 1.063 455 R HN -0.047 nan 8.270 nan 0.000 0.519 456 T N 0.829 115.417 114.554 0.056 0.000 2.668 456 T HA -0.168 4.183 4.350 0.000 0.000 0.262 456 T C 1.786 176.577 174.700 0.152 0.000 1.045 456 T CA 1.624 63.811 62.100 0.145 0.000 1.152 456 T CB -0.153 68.753 68.868 0.064 0.000 0.864 456 T HN 0.721 nan 8.240 nan 0.000 0.419 457 A N 1.126 124.079 122.820 0.221 0.000 1.970 457 A HA 0.328 4.648 4.320 0.000 0.000 0.216 457 A C 2.505 180.245 177.584 0.259 0.000 1.170 457 A CA 1.340 53.531 52.037 0.256 0.000 0.645 457 A CB -0.974 18.278 19.000 0.421 0.000 0.816 457 A HN 0.513 nan 8.150 nan 0.000 0.447 458 G N -3.057 105.891 108.800 0.246 0.000 2.712 458 G HA2 0.052 4.012 3.960 0.000 0.000 0.212 458 G HA3 0.052 4.012 3.960 0.000 0.000 0.212 458 G C 1.058 176.210 174.900 0.420 0.000 1.142 458 G CA 0.858 46.157 45.100 0.332 0.000 0.789 458 G HN 0.608 nan 8.290 nan 0.000 0.535 459 W N -0.754 120.537 121.300 -0.014 0.000 5.536 459 W HA 0.024 4.684 4.660 0.000 0.000 0.165 459 W C 1.238 177.649 176.519 -0.181 0.000 1.879 459 W CA 0.163 57.431 57.345 -0.127 0.000 1.983 459 W CB -0.368 29.016 29.460 -0.127 0.000 0.657 459 W HN 0.035 nan 8.180 nan 0.000 1.106 460 N N 1.875 120.642 118.700 0.111 0.000 2.043 460 N HA -0.179 4.561 4.740 0.000 0.000 0.193 460 N C 1.623 177.054 175.510 -0.132 0.000 1.037 460 N CA 2.433 55.459 53.050 -0.040 0.000 0.851 460 N CB -0.827 37.669 38.487 0.014 0.000 1.027 460 N HN 0.150 nan 8.380 nan 0.000 0.422 461 I N 1.392 121.937 120.570 -0.041 0.000 2.142 461 I HA -0.150 4.020 4.170 0.000 0.000 0.240 461 I C -0.639 175.406 176.117 -0.121 0.000 1.078 461 I CA 1.462 62.734 61.300 -0.046 0.000 1.343 461 I CB -2.254 35.756 38.000 0.017 0.000 1.046 461 I HN 0.104 nan 8.210 nan 0.000 0.405 462 P HA -0.101 nan 4.420 nan 0.000 0.215 462 P C 1.914 178.942 177.300 -0.454 0.000 1.157 462 P CA 1.402 64.337 63.100 -0.275 0.000 0.859 462 P CB -0.139 31.087 31.700 -0.790 0.000 0.786 463 M N -0.302 118.836 119.600 -0.769 0.000 2.117 463 M HA 0.007 4.487 4.480 0.000 0.000 0.262 463 M C 2.376 178.286 176.300 -0.650 0.000 1.065 463 M CA 1.792 56.421 55.300 -1.117 0.000 1.114 463 M CB -2.449 28.960 32.600 -1.985 0.000 1.361 463 M HN -0.005 nan 8.290 nan 0.000 0.408 464 G N -0.508 108.047 108.800 -0.409 0.000 2.443 464 G HA2 -0.123 3.837 3.960 0.000 0.000 0.219 464 G HA3 -0.123 3.837 3.960 0.000 0.000 0.219 464 G C 1.533 176.398 174.900 -0.058 0.000 1.131 464 G CA 0.391 45.377 45.100 -0.190 0.000 0.775 464 G HN 0.343 nan 8.290 nan 0.000 0.547 465 L N 0.026 121.213 121.223 -0.061 0.000 2.270 465 L HA 0.356 4.696 4.340 0.000 0.000 0.210 465 L C 2.597 179.496 176.870 0.049 0.000 1.104 465 L CA 0.804 55.680 54.840 0.060 0.000 0.804 465 L CB -0.215 41.938 42.059 0.156 0.000 0.937 465 L HN 0.152 nan 8.230 nan 0.000 0.450 466 L N -2.533 118.626 121.223 -0.106 0.000 2.179 466 L HA -0.201 4.139 4.340 0.000 0.000 0.208 466 L C 2.358 179.123 176.870 -0.174 0.000 1.096 466 L CA 0.877 55.553 54.840 -0.273 0.000 0.779 466 L CB -0.537 41.160 42.059 -0.604 0.000 0.922 466 L HN 0.262 nan 8.230 nan 0.000 0.443 467 Y N 1.599 121.793 120.300 -0.177 0.000 2.128 467 Y HA -0.267 4.283 4.550 0.000 0.000 0.284 467 Y C 2.182 178.041 175.900 -0.068 0.000 1.154 467 Y CA 1.708 59.776 58.100 -0.052 0.000 1.149 467 Y CB -0.204 38.272 38.460 0.028 0.000 0.976 467 Y HN 0.211 nan 8.280 nan 0.000 0.505 468 N N 0.371 119.117 118.700 0.076 0.000 2.651 468 N HA -0.141 4.600 4.740 0.000 0.000 0.193 468 N C 1.610 177.080 175.510 -0.066 0.000 1.149 468 N CA 0.938 53.992 53.050 0.007 0.000 0.933 468 N CB -0.299 38.226 38.487 0.062 0.000 0.974 468 N HN 0.518 nan 8.380 nan 0.000 0.448 469 R N 0.318 120.753 120.500 -0.109 0.000 2.243 469 R HA 0.178 4.518 4.340 0.000 0.000 0.193 469 R C 1.638 177.870 176.300 -0.114 0.000 0.933 469 R CA 0.230 56.276 56.100 -0.089 0.000 1.105 469 R CB 0.250 30.502 30.300 -0.080 0.000 1.169 469 R HN 0.274 nan 8.270 nan 0.000 0.599 470 I N -2.285 118.177 120.570 -0.180 0.000 3.860 470 I HA 0.241 4.411 4.170 0.000 0.000 0.319 470 I C -0.398 175.609 176.117 -0.184 0.000 1.279 470 I CA 0.133 61.359 61.300 -0.124 0.000 1.220 470 I CB -0.132 37.801 38.000 -0.112 0.000 1.027 470 I HN 0.061 nan 8.210 nan 0.000 0.428 471 N N 2.008 120.456 118.700 -0.419 0.000 2.686 471 N HA -0.279 4.462 4.740 0.000 0.000 0.249 471 N C -0.096 175.188 175.510 -0.377 0.000 1.082 471 N CA 1.515 54.240 53.050 -0.541 0.000 0.725 471 N CB -1.072 37.252 38.487 -0.271 0.000 1.009 471 N HN 0.958 nan 8.380 nan 0.000 0.545 472 H N -4.990 113.811 119.070 -0.449 0.000 2.959 472 H HA 0.663 5.219 4.556 0.000 0.000 0.296 472 H C -0.418 174.782 175.328 -0.214 0.000 1.421 472 H CA -0.828 55.078 56.048 -0.236 0.000 1.206 472 H CB 0.747 30.415 29.762 -0.158 0.000 1.891 472 H HN -0.028 nan 8.280 nan 0.000 0.573 473 c N 0.376 118.855 118.600 -0.202 0.000 3.115 473 c HA 0.377 4.948 4.570 0.000 0.000 0.277 473 c C 0.568 174.269 174.090 -0.649 0.000 1.460 473 c CA -0.292 55.693 56.329 -0.574 0.000 1.789 473 c CB -1.320 41.080 42.510 -0.184 0.000 2.674 473 c HN 0.604 nan 8.230 nan 0.000 0.582 474 R N 0.683 121.038 120.500 -0.242 0.000 3.956 474 R HA 0.210 4.550 4.340 0.000 0.000 0.237 474 R C 0.360 176.659 176.300 -0.000 0.000 1.552 474 R CA -0.307 55.790 56.100 -0.006 0.000 1.529 474 R CB -0.263 30.155 30.300 0.196 0.000 1.376 474 R HN 0.359 nan 8.270 nan 0.000 0.733 475 F N 0.961 120.968 119.950 0.095 0.000 2.250 475 F HA -0.225 4.302 4.527 0.000 0.000 0.301 475 F C 2.109 178.060 175.800 0.252 0.000 1.077 475 F CA 1.093 59.132 58.000 0.064 0.000 1.348 475 F CB -0.206 38.788 39.000 -0.009 0.000 1.040 475 F HN 0.369 nan 8.300 nan 0.000 0.509 476 D N -0.148 120.483 120.400 0.385 0.000 2.352 476 D HA -0.111 4.529 4.640 0.000 0.000 0.232 476 D C 1.161 177.625 176.300 0.273 0.000 1.055 476 D CA 0.609 54.817 54.000 0.347 0.000 0.891 476 D CB -0.336 40.625 40.800 0.267 0.000 0.897 476 D HN 0.416 nan 8.370 nan 0.000 0.529 477 E N -1.514 118.843 120.200 0.263 0.000 2.514 477 E HA 0.107 4.457 4.350 0.000 0.000 0.215 477 E C 0.886 177.600 176.600 0.191 0.000 0.946 477 E CA -0.331 56.186 56.400 0.195 0.000 1.038 477 E CB 0.206 30.000 29.700 0.157 0.000 1.069 477 E HN 0.170 nan 8.360 nan 0.000 0.503 478 F N 0.328 120.305 119.950 0.045 0.000 2.179 478 F HA 0.177 4.704 4.527 0.000 0.000 0.292 478 F C 0.286 175.972 175.800 -0.190 0.000 1.089 478 F CA 0.551 58.473 58.000 -0.130 0.000 1.295 478 F CB 0.301 39.129 39.000 -0.287 0.000 1.041 478 F HN -0.231 nan 8.300 nan 0.000 0.487 479 F N 0.310 120.499 119.950 0.399 0.000 2.378 479 F HA 0.388 4.915 4.527 0.000 0.000 0.325 479 F C 1.554 177.442 175.800 0.148 0.000 1.097 479 F CA -0.574 57.570 58.000 0.240 0.000 1.079 479 F CB 0.845 40.063 39.000 0.363 0.000 1.240 479 F HN -0.275 nan 8.300 nan 0.000 0.519 480 R N 0.378 121.056 120.500 0.297 0.000 2.127 480 R HA 0.102 4.442 4.340 0.000 0.000 0.217 480 R C -0.289 176.128 176.300 0.195 0.000 1.074 480 R CA 1.035 57.242 56.100 0.178 0.000 0.991 480 R CB 0.158 30.529 30.300 0.119 0.000 0.895 480 R HN 0.770 nan 8.270 nan 0.000 0.450 481 Q N -2.129 117.812 119.800 0.235 0.000 2.578 481 Q HA 0.499 4.839 4.340 0.000 0.000 0.284 481 Q C -1.593 174.529 176.000 0.203 0.000 0.960 481 Q CA -0.410 55.509 55.803 0.193 0.000 0.809 481 Q CB 1.776 30.594 28.738 0.134 0.000 1.462 481 Q HN 0.265 nan 8.270 nan 0.000 0.392 482 G N -0.308 108.607 108.800 0.192 0.000 2.488 482 G HA2 0.468 4.428 3.960 0.000 0.000 0.301 482 G HA3 0.468 4.428 3.960 0.000 0.000 0.301 482 G C -1.955 173.071 174.900 0.211 0.000 1.339 482 G CA -0.158 45.062 45.100 0.199 0.000 0.803 482 G HN 0.706 nan 8.290 nan 0.000 0.482 483 c N 0.841 119.593 118.600 0.253 0.000 2.801 483 c HA 0.789 5.359 4.570 0.000 0.000 0.296 483 c C 0.310 174.594 174.090 0.323 0.000 1.054 483 c CA 0.294 56.781 56.329 0.264 0.000 1.442 483 c CB -0.604 42.096 42.510 0.317 0.000 1.860 483 c HN 1.444 nan 8.230 nan 0.000 0.459 484 A N 7.396 130.372 122.820 0.259 0.000 2.802 484 A HA 0.669 4.989 4.320 0.000 0.000 0.344 484 A C -2.652 174.969 177.584 0.061 0.000 1.215 484 A CA -1.151 50.990 52.037 0.173 0.000 0.821 484 A CB 0.096 19.098 19.000 0.003 0.000 1.099 484 A HN 0.669 nan 8.150 nan 0.000 0.479 485 P HA 0.136 nan 4.420 nan 0.000 0.264 485 P C 1.230 178.546 177.300 0.027 0.000 1.173 485 P CA 2.302 65.472 63.100 0.117 0.000 0.761 485 P CB 0.573 32.439 31.700 0.277 0.000 0.794 486 G N 0.795 109.591 108.800 -0.007 0.000 2.176 486 G HA2 -0.228 3.733 3.960 0.000 0.000 0.253 486 G HA3 -0.228 3.733 3.960 0.000 0.000 0.253 486 G C 0.477 175.319 174.900 -0.096 0.000 0.979 486 G CA 0.141 45.209 45.100 -0.053 0.000 0.641 486 G HN 0.606 nan 8.290 nan 0.000 0.530 487 S N -0.445 115.204 115.700 -0.085 0.000 2.669 487 S HA 0.511 4.981 4.470 0.000 0.000 0.270 487 S C 0.459 175.049 174.600 -0.017 0.000 1.225 487 S CA -0.442 57.716 58.200 -0.070 0.000 0.991 487 S CB 1.068 64.244 63.200 -0.041 0.000 0.987 487 S HN 0.461 nan 8.310 nan 0.000 0.552 488 Q N 1.398 121.202 119.800 0.005 0.000 2.239 488 Q HA 0.007 4.347 4.340 0.000 0.000 0.286 488 Q C 0.960 176.975 176.000 0.025 0.000 1.102 488 Q CA 0.118 55.931 55.803 0.017 0.000 0.936 488 Q CB 0.436 29.193 28.738 0.032 0.000 1.127 488 Q HN 0.359 nan 8.270 nan 0.000 0.380 489 K N 1.966 122.376 120.400 0.015 0.000 2.227 489 K HA -0.243 4.077 4.320 0.000 0.000 0.208 489 K C 0.633 177.250 176.600 0.029 0.000 1.045 489 K CA 1.826 58.123 56.287 0.018 0.000 0.931 489 K CB -0.150 32.355 32.500 0.009 0.000 0.721 489 K HN 0.700 nan 8.250 nan 0.000 0.469 490 N N -0.803 117.917 118.700 0.034 0.000 2.235 490 N HA -0.021 4.719 4.740 0.000 0.000 0.231 490 N C -0.119 175.424 175.510 0.056 0.000 1.177 490 N CA -0.237 52.837 53.050 0.041 0.000 0.874 490 N CB 0.128 38.635 38.487 0.033 0.000 1.097 490 N HN -0.029 nan 8.380 nan 0.000 0.518 491 S N -0.609 115.132 115.700 0.069 0.000 2.655 491 S HA 0.292 4.763 4.470 0.000 0.000 0.265 491 S C 1.392 176.057 174.600 0.108 0.000 1.240 491 S CA -0.074 58.182 58.200 0.093 0.000 0.986 491 S CB 1.007 64.275 63.200 0.113 0.000 0.985 491 S HN 0.251 nan 8.310 nan 0.000 0.562 492 S N 0.974 116.754 115.700 0.133 0.000 2.365 492 S HA -0.138 4.332 4.470 0.000 0.000 0.225 492 S C 1.601 176.305 174.600 0.173 0.000 1.039 492 S CA 1.224 59.514 58.200 0.150 0.000 1.033 492 S CB -1.188 62.120 63.200 0.181 0.000 0.887 492 S HN 0.649 nan 8.310 nan 0.000 0.447 493 L N 0.333 121.679 121.223 0.205 0.000 2.784 493 L HA 0.050 4.390 4.340 0.000 0.000 0.247 493 L C 1.055 178.025 176.870 0.168 0.000 1.162 493 L CA -0.027 54.947 54.840 0.223 0.000 0.881 493 L CB -0.749 41.466 42.059 0.260 0.000 1.032 493 L HN 0.489 nan 8.230 nan 0.000 0.446 494 c N -1.463 117.216 118.600 0.131 0.000 3.491 494 c HA 0.089 4.659 4.570 0.000 0.000 0.298 494 c C 2.128 176.275 174.090 0.094 0.000 1.424 494 c CA -0.469 55.921 56.329 0.102 0.000 1.772 494 c CB 0.008 42.559 42.510 0.068 0.000 2.447 494 c HN 0.480 nan 8.230 nan 0.000 0.670 495 E N 0.978 121.242 120.200 0.106 0.000 2.274 495 E HA -0.009 4.341 4.350 0.000 0.000 0.194 495 E C 1.483 178.137 176.600 0.091 0.000 0.996 495 E CA 0.887 57.339 56.400 0.088 0.000 0.840 495 E CB 0.128 29.881 29.700 0.089 0.000 0.772 495 E HN 0.657 nan 8.360 nan 0.000 0.491 496 L N 0.177 121.477 121.223 0.127 0.000 2.567 496 L HA 0.103 4.443 4.340 0.000 0.000 0.225 496 L C 0.906 177.874 176.870 0.164 0.000 1.119 496 L CA -0.479 54.459 54.840 0.163 0.000 0.871 496 L CB 0.017 42.197 42.059 0.203 0.000 1.036 496 L HN 0.116 nan 8.230 nan 0.000 0.459 497 c N 0.116 118.769 118.600 0.089 0.000 2.705 497 c HA 0.182 4.752 4.570 0.000 0.000 0.365 497 c C 1.882 175.829 174.090 -0.239 0.000 1.353 497 c CA -0.012 56.286 56.329 -0.050 0.000 2.339 497 c CB 1.361 43.880 42.510 0.015 0.000 2.576 497 c HN 0.440 nan 8.230 nan 0.000 0.716 498 V N -1.267 118.406 119.914 -0.402 0.000 3.219 498 V HA 0.393 4.514 4.120 0.000 0.000 0.214 498 V C 1.056 177.016 176.094 -0.224 0.000 1.433 498 V CA 0.814 62.906 62.300 -0.348 0.000 1.301 498 V CB -1.526 29.970 31.823 -0.546 0.000 1.160 498 V HN 1.154 nan 8.190 nan 0.000 0.505 499 G N 2.590 111.255 108.800 -0.224 0.000 2.669 499 G HA2 0.142 4.102 3.960 0.000 0.000 0.227 499 G HA3 0.142 4.102 3.960 0.000 0.000 0.227 499 G C -1.057 173.801 174.900 -0.070 0.000 1.210 499 G CA 0.649 45.684 45.100 -0.109 0.000 0.855 499 G HN 0.414 nan 8.290 nan 0.000 0.551 500 P HA -0.145 nan 4.420 nan 0.000 0.214 500 P C 1.084 178.365 177.300 -0.032 0.000 1.164 500 P CA 1.522 64.604 63.100 -0.029 0.000 0.942 500 P CB -0.071 31.622 31.700 -0.012 0.000 0.791 501 S N -0.023 115.660 115.700 -0.027 0.000 2.437 501 S HA 0.147 4.617 4.470 0.000 0.000 0.304 501 S C 0.158 174.737 174.600 -0.036 0.000 1.167 501 S CA -0.400 57.782 58.200 -0.030 0.000 1.106 501 S CB -0.526 62.654 63.200 -0.032 0.000 1.099 501 S HN -0.148 nan 8.310 nan 0.000 0.524 502 V N 3.817 123.711 119.914 -0.034 0.000 2.425 502 V HA 0.045 4.165 4.120 0.000 0.000 0.276 502 V C 1.125 177.208 176.094 -0.018 0.000 1.017 502 V CA 0.101 62.381 62.300 -0.033 0.000 1.062 502 V CB -0.194 31.612 31.823 -0.029 0.000 0.997 502 V HN 1.230 nan 8.190 nan 0.000 0.476 503 c N 3.933 122.526 118.600 -0.010 0.000 5.097 503 c HA -0.137 4.433 4.570 0.000 0.000 0.230 503 c C 1.220 175.309 174.090 -0.002 0.000 1.137 503 c CA -0.072 56.264 56.329 0.013 0.000 1.470 503 c CB -1.955 40.565 42.510 0.018 0.000 1.799 503 c HN 1.286 nan 8.230 nan 0.000 0.653 504 A N 1.365 124.165 122.820 -0.032 0.000 2.445 504 A HA 0.536 4.856 4.320 0.000 0.000 0.242 504 A C -1.383 176.127 177.584 -0.123 0.000 1.075 504 A CA 0.016 52.008 52.037 -0.075 0.000 0.777 504 A CB 0.221 19.163 19.000 -0.095 0.000 1.013 504 A HN 0.472 nan 8.150 nan 0.000 0.493 505 P HA 0.162 nan 4.420 nan 0.000 0.220 505 P C -1.117 175.770 177.300 -0.689 0.000 1.778 505 P CA 0.014 62.984 63.100 -0.217 0.000 0.912 505 P CB -0.730 30.944 31.700 -0.044 0.000 1.861 506 N N -1.314 116.803 118.700 -0.972 0.000 3.364 506 N HA 0.168 4.908 4.740 0.000 0.000 0.294 506 N C 0.431 175.530 175.510 -0.686 0.000 1.562 506 N CA -0.835 51.597 53.050 -1.030 0.000 0.862 506 N CB -0.446 37.818 38.487 -0.371 0.000 1.691 506 N HN -0.408 nan 8.380 nan 0.000 0.572 507 N N -0.444 118.148 118.700 -0.181 0.000 2.443 507 N HA -0.028 4.712 4.740 0.000 0.000 0.184 507 N C 0.515 176.089 175.510 0.106 0.000 1.037 507 N CA 0.556 53.672 53.050 0.109 0.000 0.896 507 N CB -0.283 38.336 38.487 0.220 0.000 0.959 507 N HN 0.455 nan 8.380 nan 0.000 0.442 508 R N 0.394 120.920 120.500 0.043 0.000 2.323 508 R HA 0.014 4.354 4.340 0.000 0.000 0.198 508 R C 0.029 176.334 176.300 0.009 0.000 0.988 508 R CA 0.190 56.318 56.100 0.047 0.000 1.041 508 R CB 0.097 30.407 30.300 0.017 0.000 0.926 508 R HN 0.123 nan 8.270 nan 0.000 0.476 509 E N -0.304 119.898 120.200 0.005 0.000 2.158 509 E HA 0.198 4.548 4.350 0.000 0.000 0.271 509 E C 0.853 177.497 176.600 0.073 0.000 0.911 509 E CA -0.463 55.947 56.400 0.015 0.000 0.767 509 E CB 1.446 31.166 29.700 0.032 0.000 1.120 509 E HN 0.045 nan 8.360 nan 0.000 0.405 510 G N 3.648 112.435 108.800 -0.022 0.000 2.418 510 G HA2 -0.242 3.718 3.960 0.000 0.000 0.217 510 G HA3 -0.242 3.718 3.960 0.000 0.000 0.217 510 G C 0.424 175.429 174.900 0.176 0.000 1.158 510 G CA 0.564 45.664 45.100 0.002 0.000 0.771 510 G HN 0.573 nan 8.290 nan 0.000 0.545 511 Y N -0.429 119.879 120.300 0.013 0.000 2.496 511 Y HA 0.324 4.875 4.550 0.000 0.000 0.313 511 Y C 0.055 176.002 175.900 0.079 0.000 1.184 511 Y CA -1.992 56.107 58.100 -0.002 0.000 1.275 511 Y CB -1.171 37.284 38.460 -0.009 0.000 1.103 511 Y HN 0.236 nan 8.280 nan 0.000 0.513 512 Y N 0.770 121.159 120.300 0.149 0.000 2.313 512 Y HA 0.545 5.095 4.550 0.000 0.000 0.332 512 Y C 0.722 176.670 175.900 0.079 0.000 1.071 512 Y CA 0.335 58.496 58.100 0.101 0.000 1.169 512 Y CB 0.562 39.069 38.460 0.078 0.000 1.192 512 Y HN 0.369 nan 8.280 nan 0.000 0.487 513 G N 3.939 112.292 108.800 -0.745 0.000 2.685 513 G HA2 -0.305 3.655 3.960 0.000 0.000 0.387 513 G HA3 -0.305 3.655 3.960 0.000 0.000 0.387 513 G C -0.300 174.445 174.900 -0.257 0.000 1.324 513 G CA -0.126 44.588 45.100 -0.644 0.000 0.878 513 G HN 0.657 nan 8.290 nan 0.000 0.527 514 Y N 0.335 120.575 120.300 -0.101 0.000 2.097 514 Y HA -0.113 4.438 4.550 0.000 0.000 0.282 514 Y C 3.473 179.378 175.900 0.008 0.000 1.152 514 Y CA 2.705 60.776 58.100 -0.049 0.000 1.136 514 Y CB -1.128 37.278 38.460 -0.091 0.000 0.975 514 Y HN 0.623 nan 8.280 nan 0.000 0.498 515 T N -0.593 114.080 114.554 0.199 0.000 2.708 515 T HA -0.169 4.181 4.350 0.000 0.000 0.266 515 T C 2.291 177.089 174.700 0.162 0.000 1.037 515 T CA 1.547 63.789 62.100 0.236 0.000 1.146 515 T CB -1.078 67.943 68.868 0.255 0.000 0.865 515 T HN 0.581 nan 8.240 nan 0.000 0.435 516 G N 1.043 109.891 108.800 0.080 0.000 2.442 516 G HA2 -0.073 3.888 3.960 0.000 0.000 0.219 516 G HA3 -0.073 3.888 3.960 0.000 0.000 0.219 516 G C 1.763 176.616 174.900 -0.079 0.000 1.141 516 G CA 0.910 46.032 45.100 0.036 0.000 0.763 516 G HN 0.599 nan 8.290 nan 0.000 0.554 517 A N -0.188 122.619 122.820 -0.022 0.000 2.014 517 A HA 0.227 4.547 4.320 0.000 0.000 0.218 517 A C 2.060 179.588 177.584 -0.093 0.000 1.163 517 A CA 1.164 53.163 52.037 -0.064 0.000 0.652 517 A CB -0.369 18.646 19.000 0.026 0.000 0.808 517 A HN 0.336 nan 8.150 nan 0.000 0.449 518 F N 0.800 120.653 119.950 -0.162 0.000 2.098 518 F HA -0.044 4.483 4.527 0.000 0.000 0.294 518 F C 2.289 177.942 175.800 -0.244 0.000 1.107 518 F CA 1.546 59.453 58.000 -0.155 0.000 1.234 518 F CB -0.485 38.495 39.000 -0.032 0.000 1.002 518 F HN 0.251 nan 8.300 nan 0.000 0.472 519 R N -0.101 120.073 120.500 -0.543 0.000 2.096 519 R HA -0.265 4.076 4.340 0.000 0.000 0.240 519 R C 2.615 178.386 176.300 -0.883 0.000 1.139 519 R CA 2.084 57.542 56.100 -1.070 0.000 0.952 519 R CB -1.425 27.930 30.300 -1.575 0.000 0.854 519 R HN 0.547 nan 8.270 nan 0.000 0.436 520 c N 0.672 118.614 118.600 -1.098 0.000 2.391 520 c HA -0.142 4.429 4.570 0.000 0.000 0.276 520 c C 2.583 176.298 174.090 -0.624 0.000 1.217 520 c CA 1.119 56.655 56.329 -1.323 0.000 1.766 520 c CB -1.241 40.594 42.510 -1.125 0.000 2.046 520 c HN 0.713 nan 8.230 nan 0.000 0.475 521 L N 0.854 121.784 121.223 -0.489 0.000 2.093 521 L HA 0.013 4.353 4.340 0.000 0.000 0.208 521 L C 2.487 179.189 176.870 -0.279 0.000 1.085 521 L CA 2.016 56.657 54.840 -0.332 0.000 0.755 521 L CB -0.859 41.016 42.059 -0.307 0.000 0.904 521 L HN 0.278 nan 8.230 nan 0.000 0.435 522 V N -0.264 119.417 119.914 -0.388 0.000 2.427 522 V HA -0.228 3.892 4.120 0.000 0.000 0.248 522 V C 2.375 178.409 176.094 -0.099 0.000 1.051 522 V CA 2.118 64.299 62.300 -0.199 0.000 1.048 522 V CB -0.511 31.230 31.823 -0.136 0.000 0.666 522 V HN 0.530 nan 8.190 nan 0.000 0.456 523 E N -0.806 119.299 120.200 -0.158 0.000 2.251 523 E HA 0.050 4.400 4.350 0.000 0.000 0.194 523 E C 1.648 178.228 176.600 -0.033 0.000 0.964 523 E CA 0.444 56.806 56.400 -0.064 0.000 0.868 523 E CB 0.276 29.955 29.700 -0.034 0.000 0.828 523 E HN 0.539 nan 8.360 nan 0.000 0.481 524 K N -0.533 119.823 120.400 -0.072 0.000 2.598 524 K HA 0.174 4.494 4.320 0.000 0.000 0.214 524 K C 0.710 177.286 176.600 -0.041 0.000 1.575 524 K CA 0.147 56.422 56.287 -0.020 0.000 1.042 524 K CB 1.478 34.007 32.500 0.048 0.000 1.338 524 K HN -0.037 nan 8.250 nan 0.000 0.590 525 G N 1.026 109.766 108.800 -0.101 0.000 2.522 525 G HA2 0.176 4.136 3.960 0.000 0.000 0.304 525 G HA3 0.176 4.136 3.960 0.000 0.000 0.304 525 G C -0.257 174.598 174.900 -0.076 0.000 1.210 525 G CA -0.304 44.741 45.100 -0.092 0.000 0.960 525 G HN -0.084 nan 8.290 nan 0.000 0.497 526 D N -1.466 118.893 120.400 -0.067 0.000 2.355 526 D HA 0.082 4.722 4.640 0.000 0.000 0.206 526 D C 0.412 176.662 176.300 -0.083 0.000 1.010 526 D CA 0.456 54.429 54.000 -0.044 0.000 0.875 526 D CB 1.214 42.011 40.800 -0.004 0.000 0.966 526 D HN 0.136 nan 8.370 nan 0.000 0.512 527 V N 0.064 119.867 119.914 -0.185 0.000 2.888 527 V HA 0.696 4.816 4.120 0.000 0.000 0.309 527 V C -1.758 174.043 176.094 -0.489 0.000 1.114 527 V CA -0.803 61.303 62.300 -0.323 0.000 0.940 527 V CB 2.007 33.637 31.823 -0.321 0.000 1.021 527 V HN 0.085 nan 8.190 nan 0.000 0.426 528 A N 5.624 128.149 122.820 -0.493 0.000 2.355 528 A HA 0.911 5.231 4.320 0.000 0.000 0.317 528 A C -1.416 175.838 177.584 -0.549 0.000 1.094 528 A CA -0.410 51.372 52.037 -0.426 0.000 0.764 528 A CB 1.158 20.069 19.000 -0.149 0.000 1.230 528 A HN 0.737 nan 8.150 nan 0.000 0.448 529 F N 2.280 122.180 119.950 -0.082 0.000 2.361 529 F HA 0.560 5.087 4.527 0.000 0.000 0.364 529 F C 0.478 176.323 175.800 0.075 0.000 1.117 529 F CA -0.269 57.736 58.000 0.009 0.000 1.071 529 F CB 1.752 40.756 39.000 0.007 0.000 1.188 529 F HN 0.550 nan 8.300 nan 0.000 0.464 530 V N -0.302 119.754 119.914 0.237 0.000 3.130 530 V HA 0.575 4.695 4.120 0.000 0.000 0.308 530 V C -0.912 175.305 176.094 0.204 0.000 1.413 530 V CA -1.714 60.739 62.300 0.254 0.000 1.053 530 V CB 1.739 33.650 31.823 0.147 0.000 1.075 530 V HN 0.560 nan 8.190 nan 0.000 0.465 531 K N 0.140 120.614 120.400 0.123 0.000 2.126 531 K HA 0.448 4.768 4.320 0.000 0.000 0.257 531 K C 1.183 177.709 176.600 -0.124 0.000 1.007 531 K CA 0.318 56.582 56.287 -0.038 0.000 0.928 531 K CB 1.368 33.600 32.500 -0.446 0.000 1.013 531 K HN 0.942 nan 8.250 nan 0.000 0.473 532 S N 0.980 116.621 115.700 -0.097 0.000 2.382 532 S HA -0.179 4.291 4.470 0.000 0.000 0.228 532 S C 1.435 175.929 174.600 -0.178 0.000 1.027 532 S CA 0.737 58.871 58.200 -0.111 0.000 0.991 532 S CB -0.298 62.854 63.200 -0.081 0.000 0.823 532 S HN 0.649 nan 8.310 nan 0.000 0.469 533 Q N 1.045 120.701 119.800 -0.239 0.000 2.515 533 Q HA 0.087 4.428 4.340 0.000 0.000 0.212 533 Q C 1.765 177.585 176.000 -0.301 0.000 0.970 533 Q CA 0.874 56.523 55.803 -0.256 0.000 0.941 533 Q CB -0.928 27.641 28.738 -0.282 0.000 0.998 533 Q HN 0.685 nan 8.270 nan 0.000 0.518 534 T N -0.022 114.327 114.554 -0.341 0.000 2.777 534 T HA -0.082 4.268 4.350 0.000 0.000 0.266 534 T C 2.047 176.408 174.700 -0.565 0.000 1.040 534 T CA 1.082 62.944 62.100 -0.397 0.000 1.141 534 T CB -0.062 68.599 68.868 -0.345 0.000 0.868 534 T HN 0.071 nan 8.240 nan 0.000 0.444 535 V N 1.434 120.973 119.914 -0.625 0.000 2.295 535 V HA -0.117 4.003 4.120 0.000 0.000 0.246 535 V C 2.480 178.333 176.094 -0.402 0.000 1.049 535 V CA 1.276 63.125 62.300 -0.752 0.000 1.024 535 V CB -0.654 30.886 31.823 -0.471 0.000 0.648 535 V HN 0.299 nan 8.190 nan 0.000 0.447 536 L N -0.237 120.832 121.223 -0.256 0.000 2.083 536 L HA -0.186 4.154 4.340 0.000 0.000 0.209 536 L C 2.470 179.244 176.870 -0.160 0.000 1.083 536 L CA 1.798 56.541 54.840 -0.161 0.000 0.752 536 L CB -1.015 40.965 42.059 -0.130 0.000 0.899 536 L HN 0.421 nan 8.230 nan 0.000 0.433 537 Q N -1.193 118.487 119.800 -0.199 0.000 2.436 537 Q HA -0.041 4.299 4.340 0.000 0.000 0.209 537 Q C 0.861 176.784 176.000 -0.129 0.000 0.965 537 Q CA 0.674 56.385 55.803 -0.153 0.000 0.910 537 Q CB 0.086 28.725 28.738 -0.165 0.000 0.980 537 Q HN 0.547 nan 8.270 nan 0.000 0.491 538 N N 0.165 118.767 118.700 -0.164 0.000 2.170 538 N HA 0.046 4.786 4.740 0.000 0.000 0.222 538 N C -0.312 175.167 175.510 -0.052 0.000 1.218 538 N CA 0.291 53.283 53.050 -0.097 0.000 0.889 538 N CB 1.293 39.797 38.487 0.027 0.000 1.083 538 N HN 0.167 nan 8.380 nan 0.000 0.520 539 T N -4.037 110.488 114.554 -0.047 0.000 2.927 539 T HA 0.597 4.947 4.350 0.000 0.000 0.286 539 T C 0.963 175.654 174.700 -0.014 0.000 1.040 539 T CA -0.172 61.943 62.100 0.025 0.000 1.010 539 T CB 2.241 71.170 68.868 0.102 0.000 1.177 539 T HN 0.059 nan 8.240 nan 0.000 0.546 540 G N -0.551 108.251 108.800 0.003 0.000 2.176 540 G HA2 0.177 4.137 3.960 0.000 0.000 0.252 540 G HA3 0.177 4.137 3.960 0.000 0.000 0.252 540 G C 1.210 176.094 174.900 -0.028 0.000 1.024 540 G CA 0.574 45.667 45.100 -0.011 0.000 0.755 540 G HN 2.347 nan 8.290 nan 0.000 0.507 541 G N -0.803 107.972 108.800 -0.041 0.000 2.205 541 G HA2 -0.409 3.551 3.960 0.000 0.000 0.269 541 G HA3 -0.409 3.551 3.960 0.000 0.000 0.269 541 G C 1.390 176.255 174.900 -0.059 0.000 0.977 541 G CA 1.518 46.585 45.100 -0.054 0.000 0.652 541 G HN 1.000 nan 8.290 nan 0.000 0.539 542 R N -0.272 120.193 120.500 -0.058 0.000 2.120 542 R HA -0.044 4.297 4.340 0.000 0.000 0.234 542 R C 0.925 177.184 176.300 -0.068 0.000 1.123 542 R CA 1.066 57.132 56.100 -0.056 0.000 0.975 542 R CB -0.151 30.115 30.300 -0.057 0.000 0.866 542 R HN 0.399 nan 8.270 nan 0.000 0.446 543 N N 0.745 119.381 118.700 -0.106 0.000 2.444 543 N HA 0.008 4.748 4.740 0.000 0.000 0.262 543 N C 0.046 175.445 175.510 -0.185 0.000 0.974 543 N CA -0.125 52.838 53.050 -0.145 0.000 0.933 543 N CB 1.596 39.955 38.487 -0.213 0.000 1.137 543 N HN 0.011 nan 8.380 nan 0.000 0.498 544 S N 1.526 117.150 115.700 -0.125 0.000 2.605 544 S HA 0.148 4.618 4.470 0.000 0.000 0.217 544 S C 0.294 174.823 174.600 -0.118 0.000 0.958 544 S CA -0.253 57.884 58.200 -0.105 0.000 0.919 544 S CB -0.148 63.024 63.200 -0.048 0.000 0.780 544 S HN 0.577 nan 8.310 nan 0.000 0.507 545 E N 2.364 122.448 120.200 -0.192 0.000 2.383 545 E HA 0.146 4.496 4.350 0.000 0.000 0.264 545 E C -1.654 174.824 176.600 -0.204 0.000 1.050 545 E CA -2.064 54.252 56.400 -0.140 0.000 0.896 545 E CB 0.419 30.093 29.700 -0.043 0.000 0.982 545 E HN 0.076 nan 8.360 nan 0.000 0.424 546 P HA -0.253 nan 4.420 nan 0.000 0.219 546 P C 1.077 178.388 177.300 0.017 0.000 1.158 546 P CA 1.585 64.698 63.100 0.022 0.000 0.895 546 P CB -0.163 31.603 31.700 0.111 0.000 0.792 547 W N -1.084 120.241 121.300 0.041 0.000 2.465 547 W HA 0.205 4.865 4.660 0.000 0.000 0.268 547 W C 1.174 177.717 176.519 0.041 0.000 1.242 547 W CA 1.122 58.489 57.345 0.036 0.000 1.248 547 W CB -1.303 28.178 29.460 0.035 0.000 1.118 547 W HN -0.068 nan 8.180 nan 0.000 0.587 548 A N 0.380 122.712 122.820 -0.812 0.000 2.419 548 A HA 0.158 4.478 4.320 0.000 0.000 0.233 548 A C 1.820 179.201 177.584 -0.337 0.000 1.217 548 A CA 0.246 51.845 52.037 -0.729 0.000 0.944 548 A CB -0.225 17.917 19.000 -1.429 0.000 1.025 548 A HN 0.006 nan 8.150 nan 0.000 0.524 549 K N 1.411 121.660 120.400 -0.253 0.000 2.097 549 K HA -0.117 4.204 4.320 0.000 0.000 0.206 549 K C 0.225 176.781 176.600 -0.072 0.000 1.049 549 K CA 1.922 58.125 56.287 -0.139 0.000 0.933 549 K CB -0.113 32.329 32.500 -0.097 0.000 0.717 549 K HN 0.367 nan 8.250 nan 0.000 0.442 550 D N -0.149 120.225 120.400 -0.044 0.000 2.363 550 D HA 0.081 4.721 4.640 0.000 0.000 0.214 550 D C -0.016 176.296 176.300 0.019 0.000 1.093 550 D CA -0.055 53.940 54.000 -0.009 0.000 0.837 550 D CB 0.158 40.958 40.800 0.000 0.000 0.948 550 D HN 0.156 nan 8.370 nan 0.000 0.507 551 L N 0.946 122.193 121.223 0.039 0.000 2.439 551 L HA 0.177 4.517 4.340 0.000 0.000 0.269 551 L C 0.658 177.611 176.870 0.138 0.000 1.179 551 L CA 0.096 55.015 54.840 0.132 0.000 0.828 551 L CB 0.578 42.778 42.059 0.235 0.000 1.106 551 L HN -0.389 nan 8.230 nan 0.000 0.467 552 K N 2.021 122.515 120.400 0.156 0.000 2.397 552 K HA 0.125 4.445 4.320 0.000 0.000 0.253 552 K C 0.467 177.183 176.600 0.193 0.000 0.932 552 K CA -0.477 55.880 56.287 0.117 0.000 0.795 552 K CB 1.939 34.457 32.500 0.031 0.000 1.159 552 K HN 0.597 nan 8.250 nan 0.000 0.424 553 E N 1.809 122.121 120.200 0.186 0.000 2.253 553 E HA -0.274 4.076 4.350 0.000 0.000 0.202 553 E C 0.050 176.755 176.600 0.175 0.000 1.014 553 E CA 1.945 58.473 56.400 0.213 0.000 0.823 553 E CB 0.320 30.075 29.700 0.092 0.000 0.736 553 E HN 0.516 nan 8.360 nan 0.000 0.478 554 E N 0.344 120.583 120.200 0.065 0.000 2.435 554 E HA -0.068 4.282 4.350 0.000 0.000 0.195 554 E C 0.959 177.507 176.600 -0.087 0.000 1.029 554 E CA 0.783 57.186 56.400 0.005 0.000 0.865 554 E CB 0.206 29.900 29.700 -0.010 0.000 0.833 554 E HN 0.326 nan 8.360 nan 0.000 0.510 555 D N -0.394 119.870 120.400 -0.227 0.000 2.363 555 D HA -0.014 4.626 4.640 0.000 0.000 0.226 555 D C -0.381 175.408 176.300 -0.852 0.000 1.020 555 D CA 0.631 54.296 54.000 -0.558 0.000 0.892 555 D CB 0.124 40.450 40.800 -0.790 0.000 0.900 555 D HN 0.095 nan 8.370 nan 0.000 0.531 556 F N 0.244 120.235 119.950 0.067 0.000 2.593 556 F HA 0.423 4.951 4.527 0.000 0.000 0.320 556 F C 0.615 176.444 175.800 0.048 0.000 1.060 556 F CA -0.988 57.059 58.000 0.078 0.000 0.940 556 F CB 1.774 40.861 39.000 0.144 0.000 1.268 556 F HN -0.378 nan 8.300 nan 0.000 0.475 557 E N 1.052 121.390 120.200 0.230 0.000 2.423 557 E HA 0.675 5.025 4.350 0.000 0.000 0.269 557 E C -1.506 175.164 176.600 0.117 0.000 0.948 557 E CA -1.023 55.457 56.400 0.133 0.000 0.802 557 E CB 2.982 32.731 29.700 0.082 0.000 1.339 557 E HN 0.354 nan 8.360 nan 0.000 0.445 558 L N 1.120 122.388 121.223 0.075 0.000 2.330 558 L HA 0.505 4.845 4.340 0.000 0.000 0.271 558 L C -0.568 176.332 176.870 0.050 0.000 1.013 558 L CA -0.992 53.879 54.840 0.052 0.000 0.816 558 L CB 0.953 43.030 42.059 0.030 0.000 1.287 558 L HN 0.264 nan 8.230 nan 0.000 0.435 559 L N 1.393 122.647 121.223 0.052 0.000 2.264 559 L HA 0.390 4.730 4.340 0.000 0.000 0.289 559 L C -0.557 176.290 176.870 -0.039 0.000 1.044 559 L CA -0.481 54.406 54.840 0.079 0.000 0.807 559 L CB 1.374 43.572 42.059 0.232 0.000 1.192 559 L HN 0.652 nan 8.230 nan 0.000 0.425 560 c N 3.122 121.694 118.600 -0.047 0.000 2.398 560 c HA 0.248 4.818 4.570 0.000 0.000 0.364 560 c C 2.030 175.975 174.090 -0.240 0.000 1.219 560 c CA -0.727 55.510 56.329 -0.152 0.000 2.312 560 c CB 1.124 43.580 42.510 -0.089 0.000 2.428 560 c HN 0.831 nan 8.230 nan 0.000 0.564 561 L N 1.533 122.517 121.223 -0.398 0.000 2.127 561 L HA -0.149 4.192 4.340 0.000 0.000 0.211 561 L C 2.013 178.808 176.870 -0.125 0.000 1.089 561 L CA 1.629 56.171 54.840 -0.498 0.000 0.757 561 L CB -0.422 41.388 42.059 -0.416 0.000 0.899 561 L HN 0.825 nan 8.230 nan 0.000 0.434 562 D N -0.790 119.569 120.400 -0.069 0.000 2.352 562 D HA 0.029 4.669 4.640 0.000 0.000 0.232 562 D C 1.442 177.783 176.300 0.067 0.000 1.055 562 D CA 0.805 54.812 54.000 0.012 0.000 0.891 562 D CB 0.146 40.938 40.800 -0.012 0.000 0.897 562 D HN 0.296 nan 8.370 nan 0.000 0.529 563 G N -0.412 108.457 108.800 0.115 0.000 2.234 563 G HA2 -0.285 3.675 3.960 0.000 0.000 0.235 563 G HA3 -0.285 3.675 3.960 0.000 0.000 0.235 563 G C 0.642 175.605 174.900 0.104 0.000 0.997 563 G CA 0.406 45.595 45.100 0.148 0.000 0.623 563 G HN 0.796 nan 8.290 nan 0.000 0.514 564 T N -1.159 113.432 114.554 0.062 0.000 2.770 564 T HA 0.726 5.076 4.350 0.000 0.000 0.281 564 T C 0.306 175.035 174.700 0.049 0.000 0.981 564 T CA -0.029 62.098 62.100 0.046 0.000 0.955 564 T CB 1.546 70.428 68.868 0.024 0.000 1.060 564 T HN 0.578 nan 8.240 nan 0.000 0.531 565 R N -0.094 120.431 120.500 0.041 0.000 2.744 565 R HA 0.701 5.042 4.340 0.000 0.000 0.279 565 R C -0.707 175.612 176.300 0.031 0.000 0.977 565 R CA -0.992 55.134 56.100 0.043 0.000 0.906 565 R CB 2.204 32.534 30.300 0.051 0.000 1.197 565 R HN 0.593 nan 8.270 nan 0.000 0.463 566 K N 1.270 121.689 120.400 0.032 0.000 2.536 566 K HA 0.441 4.762 4.320 0.000 0.000 0.269 566 K C -2.796 173.827 176.600 0.038 0.000 0.965 566 K CA -2.144 54.160 56.287 0.029 0.000 0.860 566 K CB 2.567 35.080 32.500 0.021 0.000 1.423 566 K HN 0.272 nan 8.250 nan 0.000 0.438 567 P HA 0.013 nan 4.420 nan 0.000 0.272 567 P C 0.737 178.064 177.300 0.044 0.000 1.230 567 P CA -0.332 62.794 63.100 0.043 0.000 0.788 567 P CB 0.593 32.311 31.700 0.031 0.000 0.949 568 V N 1.453 121.401 119.914 0.055 0.000 2.720 568 V HA -0.204 3.917 4.120 0.000 0.000 0.256 568 V C 1.958 178.063 176.094 0.018 0.000 1.082 568 V CA 2.598 64.921 62.300 0.039 0.000 1.101 568 V CB -1.329 30.524 31.823 0.050 0.000 0.693 568 V HN 0.703 nan 8.190 nan 0.000 0.479 569 S N -0.951 114.761 115.700 0.020 0.000 2.607 569 S HA 0.002 4.473 4.470 0.000 0.000 0.224 569 S C 1.271 175.884 174.600 0.022 0.000 0.969 569 S CA 0.488 58.694 58.200 0.010 0.000 0.927 569 S CB -0.111 63.093 63.200 0.007 0.000 0.772 569 S HN 0.638 nan 8.310 nan 0.000 0.533 570 E N 0.647 120.868 120.200 0.035 0.000 2.501 570 E HA 0.404 4.754 4.350 0.000 0.000 0.200 570 E C 1.730 178.379 176.600 0.082 0.000 1.016 570 E CA 0.353 56.787 56.400 0.056 0.000 0.921 570 E CB 0.445 30.171 29.700 0.043 0.000 1.034 570 E HN 0.566 nan 8.360 nan 0.000 0.468 571 A N 1.257 124.120 122.820 0.072 0.000 1.915 571 A HA -0.303 4.017 4.320 0.000 0.000 0.220 571 A C 2.059 179.749 177.584 0.178 0.000 1.198 571 A CA 1.993 54.084 52.037 0.089 0.000 0.647 571 A CB -0.998 18.025 19.000 0.039 0.000 0.825 571 A HN 0.440 nan 8.150 nan 0.000 0.456 572 H N 0.110 119.218 119.070 0.064 0.000 2.400 572 H HA -0.148 4.408 4.556 0.000 0.000 0.295 572 H C 0.572 176.007 175.328 0.179 0.000 1.118 572 H CA 1.899 58.000 56.048 0.087 0.000 1.256 572 H CB 0.027 29.803 29.762 0.023 0.000 1.365 572 H HN 0.498 nan 8.280 nan 0.000 0.502 573 N N -0.808 117.976 118.700 0.141 0.000 2.204 573 N HA 0.043 4.783 4.740 0.000 0.000 0.219 573 N C -0.281 175.205 175.510 -0.041 0.000 1.151 573 N CA 0.195 53.262 53.050 0.029 0.000 0.867 573 N CB 0.607 39.132 38.487 0.064 0.000 1.043 573 N HN 0.151 nan 8.380 nan 0.000 0.516 574 c N 2.551 121.147 118.600 -0.008 0.000 3.319 574 c HA 0.219 4.789 4.570 0.000 0.000 0.200 574 c C -0.662 173.397 174.090 -0.053 0.000 1.332 574 c CA -0.523 55.760 56.329 -0.077 0.000 1.170 574 c CB -1.284 41.208 42.510 -0.031 0.000 1.855 574 c HN 0.488 nan 8.230 nan 0.000 0.593 575 H N 0.606 119.600 119.070 -0.128 0.000 2.834 575 H HA 0.519 5.075 4.556 0.000 0.000 0.369 575 H C 0.038 175.257 175.328 -0.180 0.000 1.174 575 H CA -0.838 55.132 56.048 -0.131 0.000 1.165 575 H CB 0.869 30.566 29.762 -0.108 0.000 1.820 575 H HN 0.305 nan 8.280 nan 0.000 0.558 576 L N 0.302 121.477 121.223 -0.080 0.000 2.049 576 L HA 0.317 4.657 4.340 0.000 0.000 0.203 576 L C 1.094 177.925 176.870 -0.066 0.000 1.074 576 L CA 1.387 56.119 54.840 -0.180 0.000 0.749 576 L CB -0.224 41.759 42.059 -0.127 0.000 0.907 576 L HN 0.812 nan 8.230 nan 0.000 0.439 577 A N -1.029 121.861 122.820 0.117 0.000 2.483 577 A HA 0.531 4.851 4.320 0.000 0.000 0.294 577 A C -1.447 176.169 177.584 0.053 0.000 1.077 577 A CA -0.723 51.388 52.037 0.123 0.000 0.633 577 A CB 0.923 19.934 19.000 0.017 0.000 1.318 577 A HN -0.053 nan 8.150 nan 0.000 0.455 578 K N -0.264 120.111 120.400 -0.043 0.000 2.098 578 K HA 0.733 5.053 4.320 0.000 0.000 0.258 578 K C -0.381 176.067 176.600 -0.254 0.000 0.973 578 K CA 0.108 56.290 56.287 -0.175 0.000 0.898 578 K CB 1.905 34.316 32.500 -0.149 0.000 1.057 578 K HN 1.080 nan 8.250 nan 0.000 0.447 579 A N 3.315 125.863 122.820 -0.453 0.000 2.359 579 A HA 0.508 4.828 4.320 0.000 0.000 0.303 579 A C -2.704 174.476 177.584 -0.672 0.000 1.066 579 A CA -1.887 49.735 52.037 -0.691 0.000 0.730 579 A CB 1.006 19.348 19.000 -1.098 0.000 1.211 579 A HN 0.384 nan 8.150 nan 0.000 0.439 580 P HA 0.114 nan 4.420 nan 0.000 0.269 580 P C -0.331 176.988 177.300 0.031 0.000 1.209 580 P CA -0.097 62.806 63.100 -0.329 0.000 0.776 580 P CB 0.496 31.908 31.700 -0.480 0.000 0.876 581 N N 0.884 119.759 118.700 0.292 0.000 2.381 581 N HA 0.016 4.756 4.740 0.000 0.000 0.241 581 N C 0.313 176.266 175.510 0.738 0.000 1.279 581 N CA 0.235 53.690 53.050 0.675 0.000 0.896 581 N CB -0.277 38.491 38.487 0.469 0.000 1.118 581 N HN 0.476 nan 8.380 nan 0.000 0.438 582 H N -0.424 118.986 119.070 0.567 0.000 2.852 582 H HA 0.386 4.942 4.556 0.000 0.000 0.362 582 H C -0.228 175.307 175.328 0.346 0.000 1.122 582 H CA -0.337 55.970 56.048 0.432 0.000 1.419 582 H CB 0.630 30.634 29.762 0.403 0.000 1.401 582 H HN 0.551 nan 8.280 nan 0.000 0.609 583 A N 2.179 125.216 122.820 0.362 0.000 2.539 583 A HA 0.438 4.758 4.320 0.000 0.000 0.296 583 A C -0.832 176.838 177.584 0.143 0.000 1.073 583 A CA -0.700 51.425 52.037 0.147 0.000 0.700 583 A CB 1.311 20.218 19.000 -0.155 0.000 1.296 583 A HN 0.428 nan 8.150 nan 0.000 0.405 584 V N 1.619 121.608 119.914 0.125 0.000 2.583 584 V HA 0.498 4.618 4.120 0.000 0.000 0.287 584 V C 0.391 176.491 176.094 0.010 0.000 1.051 584 V CA -0.061 62.311 62.300 0.120 0.000 1.010 584 V CB 0.987 32.948 31.823 0.231 0.000 0.988 584 V HN 1.132 nan 8.190 nan 0.000 0.478 585 V N 2.049 121.934 119.914 -0.048 0.000 2.960 585 V HA 0.991 5.111 4.120 0.000 0.000 0.315 585 V C -0.334 175.686 176.094 -0.123 0.000 1.087 585 V CA -0.193 62.064 62.300 -0.071 0.000 0.982 585 V CB 2.002 33.788 31.823 -0.061 0.000 1.039 585 V HN 0.815 nan 8.190 nan 0.000 0.437 586 S N 0.882 116.520 115.700 -0.102 0.000 2.790 586 S HA 0.656 5.126 4.470 0.000 0.000 0.292 586 S C -0.843 173.688 174.600 -0.115 0.000 1.197 586 S CA -1.036 57.090 58.200 -0.124 0.000 0.851 586 S CB 1.876 65.021 63.200 -0.091 0.000 1.217 586 S HN 0.930 nan 8.310 nan 0.000 0.526 587 R N 1.043 121.461 120.500 -0.136 0.000 2.532 587 R HA 0.456 4.797 4.340 0.000 0.000 0.272 587 R C 1.041 177.299 176.300 -0.070 0.000 1.032 587 R CA -0.799 55.220 56.100 -0.136 0.000 1.089 587 R CB 0.480 30.635 30.300 -0.243 0.000 1.098 587 R HN 0.498 nan 8.270 nan 0.000 0.526 588 K N 1.631 122.007 120.400 -0.039 0.000 2.059 588 K HA -0.252 4.068 4.320 0.000 0.000 0.212 588 K C 1.454 178.057 176.600 0.004 0.000 1.050 588 K CA 2.256 58.539 56.287 -0.006 0.000 0.927 588 K CB -0.218 32.288 32.500 0.010 0.000 0.714 588 K HN 0.776 nan 8.250 nan 0.000 0.447 589 D N 1.030 121.440 120.400 0.018 0.000 2.116 589 D HA -0.235 4.406 4.640 0.000 0.000 0.193 589 D C 1.492 177.803 176.300 0.018 0.000 0.998 589 D CA 1.531 55.556 54.000 0.042 0.000 0.836 589 D CB -0.234 40.630 40.800 0.107 0.000 0.951 589 D HN 0.128 nan 8.370 nan 0.000 0.449 590 K N -0.115 120.281 120.400 -0.007 0.000 2.387 590 K HA 0.331 4.652 4.320 0.000 0.000 0.198 590 K C 1.799 178.396 176.600 -0.005 0.000 1.022 590 K CA 0.327 56.609 56.287 -0.008 0.000 1.128 590 K CB 0.304 32.790 32.500 -0.024 0.000 0.853 590 K HN 0.185 nan 8.250 nan 0.000 0.523 591 A N 1.178 123.995 122.820 -0.005 0.000 1.873 591 A HA -0.232 4.088 4.320 0.000 0.000 0.218 591 A C 2.293 179.890 177.584 0.021 0.000 1.193 591 A CA 2.145 54.184 52.037 0.004 0.000 0.629 591 A CB -0.884 18.118 19.000 0.004 0.000 0.826 591 A HN 0.412 nan 8.150 nan 0.000 0.447 592 A N -0.941 121.892 122.820 0.022 0.000 1.859 592 A HA -0.272 4.049 4.320 0.000 0.000 0.217 592 A C 2.488 180.093 177.584 0.035 0.000 1.198 592 A CA 2.043 54.097 52.037 0.029 0.000 0.629 592 A CB -1.631 17.383 19.000 0.024 0.000 0.830 592 A HN 1.055 nan 8.150 nan 0.000 0.446 593 c N -0.854 117.763 118.600 0.028 0.000 2.349 593 c HA -0.169 4.401 4.570 0.000 0.000 0.274 593 c C 2.664 176.783 174.090 0.048 0.000 1.178 593 c CA 1.698 58.046 56.329 0.031 0.000 1.769 593 c CB -1.569 40.953 42.510 0.021 0.000 2.047 593 c HN 0.446 nan 8.230 nan 0.000 0.448 594 V N 1.474 121.418 119.914 0.050 0.000 2.287 594 V HA -0.253 3.867 4.120 0.000 0.000 0.248 594 V C 2.514 178.680 176.094 0.121 0.000 1.053 594 V CA 2.543 64.894 62.300 0.085 0.000 1.027 594 V CB -0.959 30.901 31.823 0.062 0.000 0.646 594 V HN 0.683 nan 8.190 nan 0.000 0.447 595 K N -0.333 120.124 120.400 0.096 0.000 1.972 595 K HA -0.339 3.981 4.320 0.000 0.000 0.227 595 K C 2.339 179.003 176.600 0.107 0.000 1.046 595 K CA 2.319 58.667 56.287 0.102 0.000 1.013 595 K CB -0.469 32.073 32.500 0.070 0.000 0.741 595 K HN 0.254 nan 8.250 nan 0.000 0.446 596 Q N 0.679 120.528 119.800 0.080 0.000 2.124 596 Q HA -0.247 4.094 4.340 0.000 0.000 0.215 596 Q C 1.800 177.853 176.000 0.088 0.000 1.015 596 Q CA 2.298 58.145 55.803 0.074 0.000 0.890 596 Q CB -0.243 28.528 28.738 0.054 0.000 0.966 596 Q HN 0.317 nan 8.270 nan 0.000 0.412 597 K N -0.335 120.119 120.400 0.090 0.000 2.211 597 K HA -0.041 4.279 4.320 0.000 0.000 0.203 597 K C 2.250 178.937 176.600 0.144 0.000 1.050 597 K CA 0.757 57.099 56.287 0.093 0.000 0.945 597 K CB -0.308 32.229 32.500 0.062 0.000 0.732 597 K HN 0.317 nan 8.250 nan 0.000 0.451 598 L N 0.471 121.806 121.223 0.187 0.000 2.049 598 L HA -0.064 4.276 4.340 0.000 0.000 0.203 598 L C 2.475 179.466 176.870 0.200 0.000 1.074 598 L CA 0.704 55.697 54.840 0.255 0.000 0.749 598 L CB -0.491 41.765 42.059 0.328 0.000 0.907 598 L HN 0.043 nan 8.230 nan 0.000 0.439 599 L N -0.145 121.172 121.223 0.157 0.000 2.043 599 L HA -0.289 4.051 4.340 0.000 0.000 0.212 599 L C 2.252 179.194 176.870 0.120 0.000 1.075 599 L CA 1.387 56.302 54.840 0.125 0.000 0.752 599 L CB -0.681 41.436 42.059 0.095 0.000 0.891 599 L HN 0.331 nan 8.230 nan 0.000 0.432 600 D N 0.016 120.487 120.400 0.118 0.000 2.097 600 D HA -0.155 4.486 4.640 0.000 0.000 0.195 600 D C 2.340 178.738 176.300 0.164 0.000 0.989 600 D CA 1.117 55.187 54.000 0.117 0.000 0.827 600 D CB -0.285 40.576 40.800 0.102 0.000 0.966 600 D HN 0.215 nan 8.370 nan 0.000 0.456 601 L N 0.398 121.743 121.223 0.204 0.000 2.131 601 L HA -0.180 4.160 4.340 0.000 0.000 0.210 601 L C 2.488 179.547 176.870 0.314 0.000 1.092 601 L CA 0.905 55.930 54.840 0.308 0.000 0.759 601 L CB -0.276 41.978 42.059 0.325 0.000 0.903 601 L HN 0.058 nan 8.230 nan 0.000 0.435 602 Q N -0.327 119.584 119.800 0.186 0.000 2.181 602 Q HA -0.191 4.149 4.340 0.000 0.000 0.205 602 Q C 2.204 178.259 176.000 0.092 0.000 0.980 602 Q CA 1.431 57.297 55.803 0.106 0.000 0.862 602 Q CB 0.087 28.897 28.738 0.120 0.000 0.905 602 Q HN 0.358 nan 8.270 nan 0.000 0.429 603 V N 0.789 120.763 119.914 0.099 0.000 2.407 603 V HA -0.225 3.895 4.120 0.000 0.000 0.248 603 V C 1.505 177.596 176.094 -0.006 0.000 1.055 603 V CA 2.077 64.406 62.300 0.048 0.000 1.049 603 V CB -0.285 31.568 31.823 0.051 0.000 0.662 603 V HN 0.385 nan 8.190 nan 0.000 0.455 604 E N -2.155 118.046 120.200 0.000 0.000 2.498 604 E HA 0.168 4.518 4.350 0.000 0.000 0.203 604 E C 0.724 176.980 176.600 -0.573 0.000 1.013 604 E CA 0.165 56.391 56.400 -0.289 0.000 0.927 604 E CB 0.479 29.943 29.700 -0.394 0.000 1.012 604 E HN 0.651 nan 8.360 nan 0.000 0.482 605 F N -0.805 119.115 119.950 -0.049 0.000 2.915 605 F HA 0.268 4.795 4.527 0.000 0.000 0.347 605 F C 1.146 176.759 175.800 -0.311 0.000 1.104 605 F CA -0.562 57.366 58.000 -0.119 0.000 1.126 605 F CB 0.944 39.924 39.000 -0.033 0.000 1.145 605 F HN -0.084 nan 8.300 nan 0.000 0.541 606 G N 0.683 109.415 108.800 -0.114 0.000 2.531 606 G HA2 0.065 4.025 3.960 0.000 0.000 0.253 606 G HA3 0.065 4.025 3.960 0.000 0.000 0.253 606 G C 0.961 175.858 174.900 -0.005 0.000 1.439 606 G CA 0.300 45.316 45.100 -0.140 0.000 1.056 606 G HN 0.237 nan 8.290 nan 0.000 0.555 607 N N -0.748 118.033 118.700 0.136 0.000 2.069 607 N HA -0.218 4.523 4.740 0.000 0.000 0.196 607 N C 1.731 177.245 175.510 0.006 0.000 1.024 607 N CA 2.858 55.957 53.050 0.081 0.000 0.869 607 N CB -1.220 37.307 38.487 0.066 0.000 1.035 607 N HN 0.341 nan 8.380 nan 0.000 0.434 608 T N 0.264 114.813 114.554 -0.009 0.000 2.684 608 T HA -0.147 4.203 4.350 0.000 0.000 0.267 608 T C 0.423 175.085 174.700 -0.063 0.000 1.032 608 T CA 1.363 63.441 62.100 -0.037 0.000 1.155 608 T CB -0.679 68.164 68.868 -0.042 0.000 0.857 608 T HN 0.199 nan 8.240 nan 0.000 0.457 609 V N 1.990 121.852 119.914 -0.087 0.000 2.486 609 V HA 0.064 4.184 4.120 0.000 0.000 0.290 609 V C 1.505 177.545 176.094 -0.090 0.000 0.991 609 V CA 0.238 62.473 62.300 -0.109 0.000 1.142 609 V CB 0.010 31.753 31.823 -0.132 0.000 0.926 609 V HN 0.489 nan 8.190 nan 0.000 0.472 610 A N 4.147 126.918 122.820 -0.081 0.000 1.929 610 A HA -0.018 4.302 4.320 0.000 0.000 0.216 610 A C 1.021 178.556 177.584 -0.081 0.000 1.176 610 A CA 1.126 53.122 52.037 -0.069 0.000 0.628 610 A CB -0.067 18.899 19.000 -0.057 0.000 0.816 610 A HN 0.795 nan 8.150 nan 0.000 0.444 611 D N -2.755 117.591 120.400 -0.091 0.000 2.505 611 D HA 0.449 5.089 4.640 0.000 0.000 0.249 611 D C 0.150 176.366 176.300 -0.140 0.000 1.082 611 D CA -0.489 53.447 54.000 -0.106 0.000 0.839 611 D CB 1.466 42.219 40.800 -0.079 0.000 1.317 611 D HN 0.028 nan 8.370 nan 0.000 0.497 612 c N 1.611 120.083 118.600 -0.213 0.000 2.780 612 c HA 0.151 4.721 4.570 0.000 0.000 0.267 612 c C 2.233 176.192 174.090 -0.218 0.000 1.266 612 c CA -0.057 56.102 56.329 -0.283 0.000 1.709 612 c CB -0.619 41.564 42.510 -0.545 0.000 1.975 612 c HN 0.637 nan 8.230 nan 0.000 0.582 613 S N 1.123 116.728 115.700 -0.157 0.000 2.501 613 S HA -0.060 4.411 4.470 0.000 0.000 0.220 613 S C 2.086 176.667 174.600 -0.032 0.000 0.997 613 S CA 1.210 59.362 58.200 -0.079 0.000 0.919 613 S CB -0.020 63.145 63.200 -0.058 0.000 0.778 613 S HN 0.840 nan 8.310 nan 0.000 0.523 614 S N 0.841 116.518 115.700 -0.039 0.000 2.355 614 S HA 0.218 4.689 4.470 0.000 0.000 0.216 614 S C 0.796 175.405 174.600 0.016 0.000 1.037 614 S CA 0.083 58.276 58.200 -0.011 0.000 0.955 614 S CB -0.107 63.078 63.200 -0.024 0.000 0.877 614 S HN 0.317 nan 8.310 nan 0.000 0.488 615 K N -0.206 120.194 120.400 0.000 0.000 2.185 615 K HA 0.436 4.756 4.320 0.000 0.000 0.240 615 K C -1.379 175.281 176.600 0.100 0.000 0.983 615 K CA -1.047 55.270 56.287 0.050 0.000 0.873 615 K CB 1.113 33.597 32.500 -0.027 0.000 1.118 615 K HN 0.222 nan 8.250 nan 0.000 0.441 616 F N 1.745 121.779 119.950 0.141 0.000 2.443 616 F HA 0.261 4.788 4.527 0.000 0.000 0.353 616 F C -0.787 175.128 175.800 0.191 0.000 1.101 616 F CA 0.030 58.152 58.000 0.204 0.000 1.226 616 F CB 0.589 39.777 39.000 0.314 0.000 1.140 616 F HN 0.316 nan 8.300 nan 0.000 0.557 617 c N 8.236 126.262 118.600 -0.956 0.000 2.346 617 c HA 0.299 4.869 4.570 0.000 0.000 0.326 617 c C 1.350 174.817 174.090 -1.040 0.000 1.224 617 c CA -0.740 55.172 56.329 -0.695 0.000 1.408 617 c CB 0.820 43.102 42.510 -0.380 0.000 2.089 617 c HN 1.061 nan 8.230 nan 0.000 0.456 618 M N 1.658 120.741 119.600 -0.863 0.000 2.065 618 M HA -0.062 4.418 4.480 0.000 0.000 0.259 618 M C 0.759 176.677 176.300 -0.637 0.000 1.069 618 M CA 2.260 56.977 55.300 -0.971 0.000 1.110 618 M CB -0.129 31.573 32.600 -1.498 0.000 1.328 618 M HN 0.676 nan 8.290 nan 0.000 0.405 619 F N -1.678 118.084 119.950 -0.313 0.000 2.731 619 F HA 0.157 4.685 4.527 0.000 0.000 0.304 619 F C 0.544 176.291 175.800 -0.088 0.000 1.133 619 F CA -0.168 57.720 58.000 -0.187 0.000 1.380 619 F CB -1.458 37.425 39.000 -0.194 0.000 1.079 619 F HN 0.110 nan 8.300 nan 0.000 0.550 620 H N -0.481 118.520 119.070 -0.115 0.000 2.469 620 H HA 0.578 5.134 4.556 0.000 0.000 0.342 620 H C -0.585 174.683 175.328 -0.100 0.000 1.115 620 H CA -0.800 55.188 56.048 -0.100 0.000 1.204 620 H CB 1.569 31.233 29.762 -0.163 0.000 1.492 620 H HN -0.071 nan 8.280 nan 0.000 0.499 621 S N 3.884 119.223 115.700 -0.602 0.000 2.521 621 S HA 0.225 4.695 4.470 0.000 0.000 0.295 621 S C 0.876 175.327 174.600 -0.250 0.000 1.098 621 S CA -0.884 57.158 58.200 -0.263 0.000 0.999 621 S CB 1.564 64.704 63.200 -0.100 0.000 1.034 621 S HN 0.881 nan 8.310 nan 0.000 0.483 622 K N 2.216 122.593 120.400 -0.037 0.000 2.044 622 K HA -0.085 4.235 4.320 0.000 0.000 0.210 622 K C 1.119 177.720 176.600 0.002 0.000 1.049 622 K CA 2.059 58.366 56.287 0.034 0.000 0.927 622 K CB -0.332 32.228 32.500 0.099 0.000 0.713 622 K HN 0.720 nan 8.250 nan 0.000 0.443 623 T N 0.050 114.597 114.554 -0.011 0.000 3.130 623 T HA 0.161 4.511 4.350 0.000 0.000 0.206 623 T C -0.402 174.285 174.700 -0.022 0.000 0.785 623 T CA -0.147 61.936 62.100 -0.027 0.000 1.861 623 T CB 0.346 69.150 68.868 -0.105 0.000 2.815 623 T HN -0.088 nan 8.240 nan 0.000 0.379 624 K N 2.261 122.666 120.400 0.009 0.000 2.426 624 K HA 0.347 4.667 4.320 0.000 0.000 0.254 624 K C -1.258 175.384 176.600 0.071 0.000 0.936 624 K CA -0.425 55.883 56.287 0.036 0.000 0.801 624 K CB 1.498 34.046 32.500 0.080 0.000 1.139 624 K HN 0.441 nan 8.250 nan 0.000 0.424 625 D N 1.265 121.708 120.400 0.072 0.000 2.772 625 D HA -0.191 4.449 4.640 0.000 0.000 0.233 625 D C -0.370 176.030 176.300 0.167 0.000 1.143 625 D CA 0.757 54.837 54.000 0.133 0.000 0.700 625 D CB -1.137 39.758 40.800 0.159 0.000 1.076 625 D HN 0.403 nan 8.370 nan 0.000 0.430 626 L N 0.333 121.640 121.223 0.141 0.000 2.360 626 L HA 0.223 4.563 4.340 0.000 0.000 0.276 626 L C 2.105 179.073 176.870 0.163 0.000 1.121 626 L CA -0.541 54.394 54.840 0.158 0.000 0.845 626 L CB 0.440 42.581 42.059 0.137 0.000 1.143 626 L HN 0.178 nan 8.230 nan 0.000 0.452 627 L N 0.989 122.300 121.223 0.146 0.000 4.373 627 L HA -0.354 3.986 4.340 0.000 0.000 0.371 627 L C -0.009 176.755 176.870 -0.176 0.000 1.222 627 L CA 1.603 56.456 54.840 0.021 0.000 2.643 627 L CB -1.393 40.587 42.059 -0.131 0.000 1.094 627 L HN 0.408 nan 8.230 nan 0.000 0.692 628 F N -1.093 119.002 119.950 0.242 0.000 2.611 628 F HA 0.602 5.130 4.527 0.000 0.000 0.324 628 F C 0.894 176.816 175.800 0.204 0.000 1.061 628 F CA -0.853 57.309 58.000 0.269 0.000 0.954 628 F CB 0.972 40.161 39.000 0.316 0.000 1.301 628 F HN -0.220 nan 8.300 nan 0.000 0.482 629 R N 1.189 121.921 120.500 0.388 0.000 2.401 629 R HA 0.042 4.383 4.340 0.000 0.000 0.299 629 R C 0.321 176.704 176.300 0.138 0.000 1.064 629 R CA -0.082 56.130 56.100 0.186 0.000 1.000 629 R CB 0.316 30.630 30.300 0.023 0.000 0.973 629 R HN 0.602 nan 8.270 nan 0.000 0.438 630 D N 1.929 122.373 120.400 0.073 0.000 2.265 630 D HA -0.164 4.476 4.640 0.000 0.000 0.208 630 D C 0.696 176.995 176.300 -0.002 0.000 0.977 630 D CA 1.343 55.360 54.000 0.028 0.000 0.871 630 D CB 0.055 40.834 40.800 -0.035 0.000 0.925 630 D HN 0.600 nan 8.370 nan 0.000 0.485 631 D N -0.451 119.920 120.400 -0.049 0.000 2.325 631 D HA -0.033 4.607 4.640 0.000 0.000 0.225 631 D C 0.036 176.352 176.300 0.026 0.000 1.096 631 D CA -0.087 53.881 54.000 -0.054 0.000 0.844 631 D CB -0.681 40.022 40.800 -0.161 0.000 0.925 631 D HN -0.193 nan 8.370 nan 0.000 0.513 632 T N 0.657 115.191 114.554 -0.033 0.000 2.870 632 T HA 0.119 4.469 4.350 0.000 0.000 0.300 632 T C 0.928 175.298 174.700 -0.550 0.000 0.989 632 T CA -0.178 61.743 62.100 -0.297 0.000 1.139 632 T CB 1.783 70.303 68.868 -0.580 0.000 0.920 632 T HN -0.142 nan 8.240 nan 0.000 0.537 633 K N 1.015 121.110 120.400 -0.509 0.000 2.216 633 K HA 0.355 4.675 4.320 0.000 0.000 0.207 633 K C 0.324 176.684 176.600 -0.400 0.000 1.041 633 K CA 0.391 56.469 56.287 -0.347 0.000 0.966 633 K CB 0.352 32.736 32.500 -0.193 0.000 0.955 633 K HN 0.624 nan 8.250 nan 0.000 0.468 634 c N 0.552 118.902 118.600 -0.416 0.000 2.802 634 c HA 0.541 5.111 4.570 0.000 0.000 0.307 634 c C -0.782 173.150 174.090 -0.263 0.000 1.222 634 c CA -1.188 54.995 56.329 -0.242 0.000 1.580 634 c CB 1.149 43.589 42.510 -0.117 0.000 2.119 634 c HN 0.258 nan 8.230 nan 0.000 0.479 635 L N 3.367 124.549 121.223 -0.068 0.000 2.259 635 L HA 0.522 4.862 4.340 0.000 0.000 0.288 635 L C 0.024 176.908 176.870 0.024 0.000 1.051 635 L CA -0.180 54.665 54.840 0.009 0.000 0.824 635 L CB 0.530 42.675 42.059 0.144 0.000 1.206 635 L HN 0.606 nan 8.230 nan 0.000 0.429 636 V N -0.267 119.646 119.914 -0.003 0.000 2.483 636 V HA 0.378 4.499 4.120 0.000 0.000 0.295 636 V C 0.177 176.289 176.094 0.030 0.000 1.035 636 V CA -0.929 61.378 62.300 0.012 0.000 0.896 636 V CB 1.850 33.670 31.823 -0.005 0.000 0.986 636 V HN 0.707 nan 8.190 nan 0.000 0.447 637 D N 2.615 123.036 120.400 0.035 0.000 2.478 637 D HA -0.006 4.634 4.640 0.000 0.000 0.234 637 D C 0.722 177.046 176.300 0.039 0.000 1.154 637 D CA 0.278 54.300 54.000 0.037 0.000 0.874 637 D CB 1.134 41.956 40.800 0.036 0.000 1.198 637 D HN 0.703 nan 8.370 nan 0.000 0.455 638 L N 2.714 123.959 121.223 0.036 0.000 2.591 638 L HA 0.119 4.459 4.340 0.000 0.000 0.228 638 L C 1.032 177.945 176.870 0.071 0.000 1.133 638 L CA -0.139 54.736 54.840 0.058 0.000 0.880 638 L CB -0.175 41.903 42.059 0.032 0.000 1.033 638 L HN 0.478 nan 8.230 nan 0.000 0.450 639 R N 0.729 121.259 120.500 0.051 0.000 3.158 639 R HA -0.245 4.095 4.340 0.000 0.000 0.244 639 R C 1.097 177.425 176.300 0.047 0.000 0.900 639 R CA 0.324 56.451 56.100 0.045 0.000 0.618 639 R CB -2.088 28.238 30.300 0.043 0.000 1.061 639 R HN 0.639 nan 8.270 nan 0.000 0.471 640 G N -0.468 108.359 108.800 0.045 0.000 2.217 640 G HA2 -0.327 3.633 3.960 0.000 0.000 0.246 640 G HA3 -0.327 3.633 3.960 0.000 0.000 0.246 640 G C 0.223 175.156 174.900 0.055 0.000 0.990 640 G CA 0.340 45.465 45.100 0.042 0.000 0.627 640 G HN 0.348 nan 8.290 nan 0.000 0.522 641 K N 1.519 121.967 120.400 0.080 0.000 2.758 641 K HA 0.200 4.520 4.320 0.000 0.000 0.250 641 K C 0.567 177.231 176.600 0.108 0.000 1.268 641 K CA -0.321 56.036 56.287 0.117 0.000 1.228 641 K CB -0.145 32.472 32.500 0.195 0.000 1.715 641 K HN 0.427 nan 8.250 nan 0.000 0.334 642 N N 0.808 119.548 118.700 0.067 0.000 2.383 642 N HA -0.024 4.716 4.740 0.000 0.000 0.192 642 N C -0.106 175.440 175.510 0.060 0.000 1.141 642 N CA 0.266 53.345 53.050 0.047 0.000 0.851 642 N CB 0.687 39.194 38.487 0.034 0.000 0.976 642 N HN 0.051 nan 8.380 nan 0.000 0.465 643 T N 0.466 115.068 114.554 0.079 0.000 2.861 643 T HA 0.132 4.482 4.350 0.000 0.000 0.287 643 T C 0.867 175.641 174.700 0.123 0.000 1.003 643 T CA -0.728 61.422 62.100 0.082 0.000 0.977 643 T CB 1.357 70.235 68.868 0.018 0.000 0.996 643 T HN 0.218 nan 8.240 nan 0.000 0.448 644 Y N 2.818 123.184 120.300 0.109 0.000 2.193 644 Y HA -0.184 4.366 4.550 0.000 0.000 0.285 644 Y C 1.688 177.698 175.900 0.183 0.000 1.166 644 Y CA 1.747 59.949 58.100 0.170 0.000 1.181 644 Y CB -0.321 38.210 38.460 0.118 0.000 0.976 644 Y HN 0.682 nan 8.280 nan 0.000 0.520 645 E N 0.606 120.331 120.200 -0.791 0.000 2.150 645 E HA -0.105 4.245 4.350 0.000 0.000 0.193 645 E C 2.037 178.555 176.600 -0.138 0.000 0.985 645 E CA 1.394 57.489 56.400 -0.509 0.000 0.814 645 E CB -0.074 29.335 29.700 -0.486 0.000 0.752 645 E HN 0.531 nan 8.360 nan 0.000 0.466 646 K N -0.494 119.869 120.400 -0.062 0.000 2.076 646 K HA -0.109 4.211 4.320 0.000 0.000 0.204 646 K C 1.979 178.639 176.600 0.099 0.000 1.051 646 K CA 0.943 57.243 56.287 0.022 0.000 0.949 646 K CB -0.101 32.423 32.500 0.041 0.000 0.726 646 K HN 0.120 nan 8.250 nan 0.000 0.443 647 Y N 1.514 121.835 120.300 0.034 0.000 2.153 647 Y HA -0.104 4.446 4.550 0.000 0.000 0.289 647 Y C 1.645 177.595 175.900 0.083 0.000 1.127 647 Y CA 1.289 59.429 58.100 0.067 0.000 1.131 647 Y CB -0.230 38.288 38.460 0.097 0.000 0.995 647 Y HN -0.111 nan 8.280 nan 0.000 0.505 648 L N 0.199 121.425 121.223 0.005 0.000 2.083 648 L HA 0.044 4.384 4.340 0.000 0.000 0.209 648 L C 1.278 178.129 176.870 -0.033 0.000 1.083 648 L CA 0.890 55.704 54.840 -0.043 0.000 0.752 648 L CB -1.364 40.895 42.059 0.334 0.000 0.899 648 L HN 0.513 nan 8.230 nan 0.000 0.433 649 G N -1.956 106.847 108.800 0.006 0.000 2.690 649 G HA2 -0.058 3.902 3.960 0.000 0.000 0.686 649 G HA3 -0.058 3.902 3.960 0.000 0.000 0.686 649 G C 0.487 175.411 174.900 0.040 0.000 1.277 649 G CA -0.268 44.832 45.100 0.000 0.000 0.799 649 G HN 0.211 nan 8.290 nan 0.000 0.613 650 A N 0.453 123.283 122.820 0.017 0.000 1.849 650 A HA -0.034 4.286 4.320 0.000 0.000 0.217 650 A C 2.027 179.628 177.584 0.029 0.000 1.202 650 A CA 2.781 54.828 52.037 0.017 0.000 0.629 650 A CB -0.888 18.114 19.000 0.005 0.000 0.834 650 A HN 1.008 nan 8.150 nan 0.000 0.447 651 D N -2.211 118.206 120.400 0.029 0.000 2.133 651 D HA -0.224 4.416 4.640 0.000 0.000 0.192 651 D C 1.750 178.084 176.300 0.058 0.000 1.001 651 D CA 2.030 56.048 54.000 0.031 0.000 0.844 651 D CB -0.239 40.577 40.800 0.028 0.000 0.944 651 D HN 0.567 nan 8.370 nan 0.000 0.447 652 Y N 0.773 121.044 120.300 -0.049 0.000 2.200 652 Y HA -0.133 4.417 4.550 0.000 0.000 0.290 652 Y C 1.935 177.806 175.900 -0.048 0.000 1.137 652 Y CA 0.876 58.942 58.100 -0.057 0.000 1.163 652 Y CB -0.170 38.256 38.460 -0.057 0.000 0.988 652 Y HN -0.026 nan 8.280 nan 0.000 0.518 653 I N 0.761 121.332 120.570 0.001 0.000 2.163 653 I HA -0.328 3.842 4.170 0.000 0.000 0.243 653 I C 2.391 178.445 176.117 -0.105 0.000 1.085 653 I CA 1.901 63.186 61.300 -0.025 0.000 1.347 653 I CB -1.313 36.743 38.000 0.094 0.000 1.044 653 I HN 0.250 nan 8.210 nan 0.000 0.408 654 K N 1.247 121.611 120.400 -0.059 0.000 2.097 654 K HA -0.158 4.162 4.320 0.000 0.000 0.206 654 K C 2.186 178.718 176.600 -0.114 0.000 1.049 654 K CA 1.634 57.887 56.287 -0.057 0.000 0.933 654 K CB -0.031 32.453 32.500 -0.026 0.000 0.717 654 K HN 0.234 nan 8.250 nan 0.000 0.442 655 A N 0.673 123.396 122.820 -0.161 0.000 1.873 655 A HA -0.081 4.239 4.320 0.000 0.000 0.215 655 A C 2.242 179.640 177.584 -0.310 0.000 1.186 655 A CA 1.624 53.543 52.037 -0.198 0.000 0.616 655 A CB -0.679 18.222 19.000 -0.164 0.000 0.823 655 A HN 0.163 nan 8.150 nan 0.000 0.442 656 V N 0.164 119.768 119.914 -0.516 0.000 2.407 656 V HA -0.227 3.893 4.120 0.000 0.000 0.248 656 V C 2.735 178.581 176.094 -0.412 0.000 1.055 656 V CA 2.248 64.185 62.300 -0.605 0.000 1.049 656 V CB -0.924 30.251 31.823 -1.080 0.000 0.662 656 V HN 0.539 nan 8.190 nan 0.000 0.455 657 S N 0.779 116.310 115.700 -0.281 0.000 2.356 657 S HA -0.193 4.277 4.470 0.000 0.000 0.223 657 S C 1.862 176.395 174.600 -0.112 0.000 1.032 657 S CA 1.594 59.727 58.200 -0.112 0.000 1.005 657 S CB -0.543 62.643 63.200 -0.025 0.000 0.867 657 S HN 0.628 nan 8.310 nan 0.000 0.449 658 N N 1.509 120.136 118.700 -0.121 0.000 2.247 658 N HA -0.058 4.682 4.740 0.000 0.000 0.189 658 N C 1.141 176.501 175.510 -0.249 0.000 1.009 658 N CA 0.767 53.749 53.050 -0.113 0.000 0.872 658 N CB -0.376 38.069 38.487 -0.070 0.000 0.980 658 N HN 0.353 nan 8.380 nan 0.000 0.436 659 L N 0.109 121.162 121.223 -0.283 0.000 2.592 659 L HA 0.152 4.492 4.340 0.000 0.000 0.227 659 L C 1.708 178.455 176.870 -0.205 0.000 1.127 659 L CA -0.033 54.596 54.840 -0.351 0.000 0.884 659 L CB 0.106 42.012 42.059 -0.256 0.000 1.065 659 L HN 0.031 nan 8.230 nan 0.000 0.457 660 R N 0.539 120.957 120.500 -0.137 0.000 2.091 660 R HA -0.188 4.153 4.340 0.000 0.000 0.238 660 R C 1.979 178.260 176.300 -0.031 0.000 1.136 660 R CA 1.024 57.098 56.100 -0.043 0.000 0.959 660 R CB -0.322 29.979 30.300 0.002 0.000 0.856 660 R HN 0.214 nan 8.270 nan 0.000 0.437 661 K N 0.503 120.867 120.400 -0.060 0.000 2.360 661 K HA -0.089 4.231 4.320 0.000 0.000 0.201 661 K C 1.194 177.786 176.600 -0.014 0.000 1.046 661 K CA 0.959 57.233 56.287 -0.022 0.000 0.945 661 K CB 0.053 32.557 32.500 0.006 0.000 0.750 661 K HN 0.235 nan 8.250 nan 0.000 0.464 662 c N 0.378 118.954 118.600 -0.039 0.000 2.791 662 c HA 0.197 4.767 4.570 0.000 0.000 0.270 662 c C 1.265 175.414 174.090 0.099 0.000 1.257 662 c CA -0.747 55.606 56.329 0.040 0.000 1.699 662 c CB -0.815 41.752 42.510 0.094 0.000 1.904 662 c HN 0.283 nan 8.230 nan 0.000 0.603 663 S N 1.740 117.479 115.700 0.066 0.000 2.569 663 S HA 0.178 4.648 4.470 0.000 0.000 0.274 663 S C 1.161 175.796 174.600 0.059 0.000 1.353 663 S CA 1.090 59.334 58.200 0.073 0.000 1.023 663 S CB 0.405 63.641 63.200 0.060 0.000 0.876 663 S HN 0.712 nan 8.310 nan 0.000 0.540 664 T N -0.596 113.982 114.554 0.040 0.000 3.488 664 T HA 0.260 4.610 4.350 0.000 0.000 0.312 664 T C -0.009 174.692 174.700 0.002 0.000 0.931 664 T CA -0.211 61.901 62.100 0.020 0.000 0.982 664 T CB -0.114 68.765 68.868 0.017 0.000 1.198 664 T HN 0.409 nan 8.240 nan 0.000 0.545 665 S N 1.032 116.739 115.700 0.011 0.000 2.448 665 S HA 0.361 4.831 4.470 0.000 0.000 0.279 665 S C 1.387 175.986 174.600 -0.001 0.000 1.195 665 S CA -0.663 57.541 58.200 0.007 0.000 1.051 665 S CB 0.562 63.782 63.200 0.033 0.000 0.948 665 S HN 0.495 nan 8.310 nan 0.000 0.493 666 R N 2.938 123.429 120.500 -0.015 0.000 2.075 666 R HA -0.026 4.315 4.340 0.000 0.000 0.232 666 R C 1.973 178.259 176.300 -0.023 0.000 1.126 666 R CA 1.125 57.211 56.100 -0.023 0.000 0.963 666 R CB -0.355 29.927 30.300 -0.031 0.000 0.858 666 R HN 0.621 nan 8.270 nan 0.000 0.435 667 L N 0.907 122.117 121.223 -0.023 0.000 2.083 667 L HA -0.124 4.216 4.340 0.000 0.000 0.209 667 L C 1.961 178.823 176.870 -0.013 0.000 1.083 667 L CA 1.393 56.220 54.840 -0.023 0.000 0.752 667 L CB -0.365 41.673 42.059 -0.035 0.000 0.899 667 L HN 0.133 nan 8.230 nan 0.000 0.433 668 L N -0.137 121.085 121.223 -0.002 0.000 2.093 668 L HA -0.175 4.165 4.340 0.000 0.000 0.208 668 L C 2.494 179.369 176.870 0.009 0.000 1.085 668 L CA 2.083 56.926 54.840 0.005 0.000 0.755 668 L CB -0.724 41.358 42.059 0.038 0.000 0.904 668 L HN 0.623 nan 8.230 nan 0.000 0.435 669 E N -0.443 119.761 120.200 0.006 0.000 2.072 669 E HA -0.184 4.166 4.350 0.000 0.000 0.191 669 E C 2.064 178.673 176.600 0.015 0.000 0.985 669 E CA 1.120 57.524 56.400 0.006 0.000 0.801 669 E CB -0.717 28.977 29.700 -0.011 0.000 0.750 669 E HN 0.440 nan 8.360 nan 0.000 0.452 670 A N 1.374 124.190 122.820 -0.007 0.000 1.873 670 A HA -0.226 4.094 4.320 0.000 0.000 0.218 670 A C 2.413 180.028 177.584 0.052 0.000 1.193 670 A CA 1.680 53.715 52.037 -0.003 0.000 0.629 670 A CB -1.189 17.802 19.000 -0.015 0.000 0.826 670 A HN 0.571 nan 8.150 nan 0.000 0.447 671 c N -0.305 118.317 118.600 0.036 0.000 2.491 671 c HA 0.073 4.643 4.570 0.000 0.000 0.277 671 c C 2.215 176.347 174.090 0.070 0.000 1.455 671 c CA 1.253 57.613 56.329 0.051 0.000 1.758 671 c CB -1.614 40.895 42.510 -0.003 0.000 1.745 671 c HN 0.773 nan 8.230 nan 0.000 0.558 672 T N -3.596 110.998 114.554 0.066 0.000 3.132 672 T HA 0.146 4.497 4.350 0.000 0.000 0.274 672 T C 0.974 175.705 174.700 0.050 0.000 1.011 672 T CA -0.198 61.935 62.100 0.054 0.000 0.899 672 T CB -0.384 68.498 68.868 0.022 0.000 1.089 672 T HN 0.343 nan 8.240 nan 0.000 0.543 673 F N 2.725 122.615 119.950 -0.101 0.000 2.074 673 F HA 0.140 4.668 4.527 0.000 0.000 0.293 673 F C 1.194 176.878 175.800 -0.193 0.000 1.116 673 F CA 0.481 58.365 58.000 -0.193 0.000 1.212 673 F CB -0.505 38.350 39.000 -0.241 0.000 0.998 673 F HN 0.174 nan 8.300 nan 0.000 0.471 674 H N 2.953 121.904 119.070 -0.199 0.000 3.094 674 H HA 0.066 4.622 4.556 0.000 0.000 0.320 674 H C -0.163 174.890 175.328 -0.459 0.000 1.000 674 H CA 0.554 56.346 56.048 -0.428 0.000 1.413 674 H CB 0.138 29.680 29.762 -0.367 0.000 1.405 674 H HN 0.267 nan 8.280 nan 0.000 0.586 675 K N 5.452 125.687 120.400 -0.276 0.000 2.334 675 K HA 0.251 4.571 4.320 0.000 0.000 0.265 675 K C 0.132 176.699 176.600 -0.054 0.000 1.039 675 K CA -0.536 55.667 56.287 -0.141 0.000 0.920 675 K CB 1.318 33.758 32.500 -0.100 0.000 1.160 675 K HN 0.590 nan 8.250 nan 0.000 0.451 676 H N 0.000 119.133 119.070 0.105 0.000 2.539 676 H HA 0.000 4.556 4.556 0.000 0.000 0.296 676 H CA 0.000 56.077 56.048 0.048 0.000 1.023 676 H CB 0.000 29.668 29.762 -0.157 0.000 1.292 676 H HN 0.000 nan 8.280 nan 0.000 0.496