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 2gy5_1_A DATA FIRST_RESID 23 DATA SEQUENCE AMDLILINSL PLVSDAETSL TcIASGWRPH EPITIGRDFE ALMNQHQDPL DATA SEQUENCE EVTQDVTREW AKKVVWKREK ASKINGAYFc EGRVRGEAIR IRTMKMRQQA DATA SEQUENCE SFLPATLTMT VDKGDNVNIS FKKVLIKEED AVIYKNGSFI HSVPRHEVPD DATA SEQUENCE ILEVHLPHAQ PQDAGVYSAR YIGGNLFTSA FTRLIVRRcE AQKWGPEcNH DATA SEQUENCE LcTAcMNNGV cHEDTGEcIc PPGFMGRTcE KAcELHTFGR TcKERcSGQE DATA SEQUENCE GcKSYVFcLP DPYGcScATG WKGLQcNEAc HPGFYGPDcK LRcScNNGEM DATA SEQUENCE cDRFQGcLcS PGWQGLQcER EGIPRMTPKI VDLPDHIEVN SGKFNPIcKA DATA SEQUENCE SGWPLPTNEE MTLVKPDGTV LHPKDFNHTD HFSVAIFTIH RILPPDSGVW DATA SEQUENCE VcSVNTVAGM VEKPFNISVK VLP 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 23 A HA 0.000 nan 4.320 nan 0.000 0.244 23 A C 0.000 176.635 177.584 -1.582 0.000 1.274 23 A CA 0.000 51.496 52.037 -0.902 0.000 0.836 23 A CB 0.000 18.662 19.000 -0.563 0.000 0.831 24 M N -1.245 117.722 119.600 -1.055 0.000 3.017 24 M HA 0.454 4.934 4.480 -0.000 0.000 0.423 24 M C -0.637 175.475 176.300 -0.314 0.000 1.395 24 M CA -0.245 54.591 55.300 -0.773 0.000 0.816 24 M CB 0.332 32.670 32.600 -0.436 0.000 1.440 24 M HN -0.050 nan 8.290 nan 0.000 0.506 25 D N 2.685 122.984 120.400 -0.169 0.000 2.522 25 D HA 0.342 4.982 4.640 -0.000 0.000 0.218 25 D C -1.354 175.183 176.300 0.395 0.000 1.149 25 D CA -0.072 54.019 54.000 0.151 0.000 0.981 25 D CB 0.557 41.459 40.800 0.170 0.000 1.041 25 D HN 0.476 nan 8.370 nan 0.000 0.518 26 L N 3.512 124.922 121.223 0.311 0.000 2.307 26 L HA 0.557 4.897 4.340 -0.000 0.000 0.282 26 L C -0.976 176.041 176.870 0.244 0.000 1.051 26 L CA -0.451 54.587 54.840 0.330 0.000 0.804 26 L CB 1.183 43.427 42.059 0.309 0.000 1.197 26 L HN 0.183 nan 8.230 nan 0.000 0.431 27 I N 5.436 126.154 120.570 0.248 0.000 2.512 27 I HA 0.340 4.510 4.170 -0.000 0.000 0.287 27 I C -1.103 175.128 176.117 0.191 0.000 1.069 27 I CA -0.436 61.011 61.300 0.245 0.000 1.056 27 I CB 1.766 39.983 38.000 0.362 0.000 1.229 27 I HN 0.362 nan 8.210 nan 0.000 0.429 28 L N 7.438 128.748 121.223 0.146 0.000 2.275 28 L HA 0.586 4.926 4.340 -0.000 0.000 0.288 28 L C -0.701 176.169 176.870 0.001 0.000 1.046 28 L CA 0.081 54.964 54.840 0.071 0.000 0.805 28 L CB 0.650 42.753 42.059 0.073 0.000 1.193 28 L HN 0.461 nan 8.230 nan 0.000 0.426 29 I N 5.330 125.838 120.570 -0.103 0.000 2.307 29 I HA 0.232 4.402 4.170 -0.000 0.000 0.289 29 I C -0.043 175.915 176.117 -0.265 0.000 1.021 29 I CA -0.422 60.696 61.300 -0.303 0.000 1.224 29 I CB 0.866 38.597 38.000 -0.448 0.000 1.376 29 I HN 0.594 nan 8.210 nan 0.000 0.470 30 N N 5.057 123.619 118.700 -0.231 0.000 2.719 30 N HA 0.009 4.749 4.740 -0.000 0.000 0.243 30 N C -0.057 175.324 175.510 -0.214 0.000 1.104 30 N CA 0.165 53.117 53.050 -0.164 0.000 0.981 30 N CB 0.725 39.162 38.487 -0.083 0.000 1.290 30 N HN 0.414 nan 8.380 nan 0.000 0.513 31 S N 4.855 120.406 115.700 -0.248 0.000 3.232 31 S HA 0.151 4.621 4.470 -0.000 0.000 0.298 31 S C 0.076 174.580 174.600 -0.161 0.000 1.159 31 S CA -0.287 57.757 58.200 -0.261 0.000 1.240 31 S CB -1.283 61.752 63.200 -0.275 0.000 1.584 31 S HN 0.556 nan 8.310 nan 0.000 0.558 32 L N 3.810 124.950 121.223 -0.138 0.000 2.431 32 L HA -0.098 4.242 4.340 -0.000 0.000 0.621 32 L C -1.830 174.990 176.870 -0.084 0.000 1.001 32 L CA -0.508 54.275 54.840 -0.094 0.000 1.325 32 L CB -0.652 41.355 42.059 -0.085 0.000 1.972 32 L HN 0.402 nan 8.230 nan 0.000 0.953 33 P HA -0.046 nan 4.420 nan 0.000 0.225 33 P C 0.511 177.796 177.300 -0.025 0.000 1.156 33 P CA 0.999 64.081 63.100 -0.030 0.000 0.787 33 P CB 0.465 32.173 31.700 0.014 0.000 0.802 34 L N 1.046 122.253 121.223 -0.028 0.000 2.260 34 L HA 0.235 4.575 4.340 -0.000 0.000 0.289 34 L C 0.177 177.014 176.870 -0.054 0.000 1.057 34 L CA -0.760 54.064 54.840 -0.027 0.000 0.811 34 L CB 1.402 43.453 42.059 -0.014 0.000 1.184 34 L HN -0.280 nan 8.230 nan 0.000 0.429 35 V N 2.859 122.730 119.914 -0.071 0.000 2.567 35 V HA 0.558 4.678 4.120 -0.000 0.000 0.289 35 V C 0.434 176.488 176.094 -0.067 0.000 1.049 35 V CA -0.121 62.121 62.300 -0.095 0.000 0.969 35 V CB 1.447 33.176 31.823 -0.155 0.000 0.995 35 V HN 1.018 nan 8.190 nan 0.000 0.471 36 S N 1.623 117.286 115.700 -0.060 0.000 3.939 36 S HA 0.345 4.815 4.470 -0.000 0.000 0.302 36 S C 0.534 175.113 174.600 -0.035 0.000 1.108 36 S CA -0.378 57.797 58.200 -0.041 0.000 1.225 36 S CB 0.900 64.082 63.200 -0.030 0.000 1.467 36 S HN 0.476 nan 8.310 nan 0.000 0.735 37 D N 1.661 122.047 120.400 -0.023 0.000 2.183 37 D HA 0.290 4.930 4.640 -0.000 0.000 0.203 37 D C 1.120 177.412 176.300 -0.014 0.000 0.969 37 D CA 1.142 55.132 54.000 -0.016 0.000 0.842 37 D CB -0.484 40.310 40.800 -0.010 0.000 0.957 37 D HN 0.687 nan 8.370 nan 0.000 0.484 38 A N 1.172 123.981 122.820 -0.018 0.000 2.366 38 A HA 0.171 4.491 4.320 -0.000 0.000 0.250 38 A C 0.445 178.022 177.584 -0.012 0.000 1.099 38 A CA -0.280 51.748 52.037 -0.016 0.000 0.794 38 A CB 0.123 19.110 19.000 -0.022 0.000 1.056 38 A HN 0.181 nan 8.150 nan 0.000 0.499 39 E N -0.323 119.874 120.200 -0.005 0.000 2.343 39 E HA 0.511 4.861 4.350 -0.000 0.000 0.269 39 E C -0.328 176.276 176.600 0.007 0.000 1.047 39 E CA -0.180 56.230 56.400 0.017 0.000 0.874 39 E CB 0.781 30.493 29.700 0.019 0.000 1.033 39 E HN 0.598 nan 8.360 nan 0.000 0.409 40 T N 0.022 114.604 114.554 0.046 0.000 2.916 40 T HA 0.661 5.011 4.350 -0.000 0.000 0.292 40 T C -0.203 174.592 174.700 0.159 0.000 1.055 40 T CA -0.694 61.422 62.100 0.026 0.000 1.009 40 T CB 1.548 70.374 68.868 -0.070 0.000 1.118 40 T HN 0.699 nan 8.240 nan 0.000 0.497 41 S N 0.676 116.423 115.700 0.079 0.000 2.794 41 S HA 0.866 5.335 4.470 -0.000 0.000 0.299 41 S C -1.757 172.867 174.600 0.040 0.000 1.179 41 S CA -0.970 57.287 58.200 0.096 0.000 0.838 41 S CB 1.511 64.679 63.200 -0.054 0.000 1.206 41 S HN 0.766 nan 8.310 nan 0.000 0.523 42 L N 0.974 122.176 121.223 -0.035 0.000 2.596 42 L HA 0.593 4.933 4.340 -0.000 0.000 0.265 42 L C -1.145 175.652 176.870 -0.121 0.000 0.962 42 L CA 0.233 55.028 54.840 -0.075 0.000 0.891 42 L CB 1.848 43.886 42.059 -0.035 0.000 1.248 42 L HN 0.994 nan 8.230 nan 0.000 0.410 43 T N 2.487 116.965 114.554 -0.127 0.000 2.779 43 T HA 0.392 4.741 4.350 -0.000 0.000 0.280 43 T C -0.854 173.815 174.700 -0.052 0.000 0.987 43 T CA -0.301 61.738 62.100 -0.102 0.000 0.966 43 T CB 1.280 70.082 68.868 -0.110 0.000 0.933 43 T HN 0.611 nan 8.240 nan 0.000 0.442 44 c N 5.812 124.394 118.600 -0.031 0.000 2.281 44 c HA 0.732 5.302 4.570 -0.000 0.000 0.325 44 c C -0.439 173.677 174.090 0.043 0.000 1.282 44 c CA -0.794 55.543 56.329 0.013 0.000 1.640 44 c CB -1.704 40.798 42.510 -0.013 0.000 2.288 44 c HN 0.835 nan 8.230 nan 0.000 0.507 45 I N 5.566 126.199 120.570 0.104 0.000 2.433 45 I HA 0.525 4.695 4.170 -0.000 0.000 0.292 45 I C 0.348 176.545 176.117 0.134 0.000 1.001 45 I CA -0.352 61.023 61.300 0.124 0.000 1.119 45 I CB 1.715 39.842 38.000 0.212 0.000 1.289 45 I HN 0.723 nan 8.210 nan 0.000 0.438 46 A N 4.093 126.926 122.820 0.022 0.000 2.260 46 A HA 0.549 4.869 4.320 -0.000 0.000 0.308 46 A C -0.153 177.426 177.584 -0.008 0.000 1.254 46 A CA -0.333 51.610 52.037 -0.156 0.000 0.874 46 A CB 0.896 19.407 19.000 -0.816 0.000 1.153 46 A HN 0.617 nan 8.150 nan 0.000 0.527 47 S N 2.383 118.235 115.700 0.253 0.000 2.448 47 S HA 0.522 4.992 4.470 -0.000 0.000 0.320 47 S C 0.950 175.787 174.600 0.395 0.000 1.071 47 S CA 0.511 58.869 58.200 0.262 0.000 1.113 47 S CB -0.044 63.288 63.200 0.220 0.000 0.972 47 S HN 2.383 nan 8.310 nan 0.000 0.465 48 G N 4.564 113.560 108.800 0.328 0.000 2.137 48 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.237 48 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.237 48 G C -0.287 174.850 174.900 0.395 0.000 1.002 48 G CA 0.272 45.580 45.100 0.346 0.000 0.702 48 G HN 1.118 nan 8.290 nan 0.000 0.515 49 W N -0.850 120.462 121.300 0.020 0.000 3.827 49 W HA 0.582 5.242 4.660 -0.000 0.000 0.307 49 W C -0.569 175.502 176.519 -0.746 0.000 1.204 49 W CA -2.124 55.050 57.345 -0.285 0.000 1.250 49 W CB 0.214 29.544 29.460 -0.217 0.000 1.281 49 W HN 0.361 nan 8.180 nan 0.000 0.494 50 R N 4.549 124.293 120.500 -1.259 0.000 2.288 50 R HA 0.334 4.674 4.340 -0.000 0.000 0.330 50 R C -2.119 173.704 176.300 -0.794 0.000 1.069 50 R CA -0.993 53.972 56.100 -1.891 0.000 0.941 50 R CB 0.403 29.974 30.300 -1.215 0.000 0.998 50 R HN 0.026 nan 8.270 nan 0.000 0.452 51 P HA -0.010 nan 4.420 nan 0.000 0.268 51 P C -0.478 176.834 177.300 0.020 0.000 1.205 51 P CA 0.103 62.986 63.100 -0.361 0.000 0.771 51 P CB 0.505 31.912 31.700 -0.488 0.000 0.858 52 H N 0.538 119.578 119.070 -0.051 0.000 2.551 52 H HA 0.198 4.754 4.556 -0.000 0.000 0.271 52 H C 0.133 175.446 175.328 -0.024 0.000 0.984 52 H CA 0.155 56.171 56.048 -0.054 0.000 1.164 52 H CB 0.832 30.571 29.762 -0.039 0.000 1.437 52 H HN 0.464 nan 8.280 nan 0.000 0.550 53 E N 1.220 121.486 120.200 0.110 0.000 2.314 53 E HA 0.244 4.594 4.350 -0.000 0.000 0.272 53 E C -2.678 173.949 176.600 0.046 0.000 0.884 53 E CA -2.251 54.191 56.400 0.069 0.000 0.753 53 E CB 2.533 32.286 29.700 0.088 0.000 1.213 53 E HN 0.013 nan 8.360 nan 0.000 0.432 54 P HA -0.061 nan 4.420 nan 0.000 0.261 54 P C -0.442 176.875 177.300 0.029 0.000 1.173 54 P CA 0.231 63.341 63.100 0.017 0.000 0.760 54 P CB 0.279 31.991 31.700 0.019 0.000 0.783 55 I N 2.743 123.317 120.570 0.006 0.000 2.634 55 I HA 0.077 4.247 4.170 -0.000 0.000 0.284 55 I C 0.849 176.967 176.117 0.001 0.000 1.124 55 I CA 0.688 61.996 61.300 0.014 0.000 1.417 55 I CB 0.114 38.105 38.000 -0.015 0.000 1.396 55 I HN 0.278 nan 8.210 nan 0.000 0.571 56 T N 7.165 121.721 114.554 0.002 0.000 2.823 56 T HA 0.697 5.047 4.350 -0.000 0.000 0.279 56 T C -0.001 174.560 174.700 -0.232 0.000 0.998 56 T CA -0.406 61.665 62.100 -0.049 0.000 0.994 56 T CB 1.733 70.639 68.868 0.064 0.000 0.960 56 T HN 0.290 nan 8.240 nan 0.000 0.448 57 I N 1.925 122.335 120.570 -0.268 0.000 2.569 57 I HA 0.718 4.888 4.170 -0.000 0.000 0.290 57 I C 0.369 176.297 176.117 -0.314 0.000 1.088 57 I CA -0.533 60.539 61.300 -0.379 0.000 1.047 57 I CB 2.176 40.047 38.000 -0.215 0.000 1.237 57 I HN 0.858 nan 8.210 nan 0.000 0.421 58 G N 4.984 113.536 108.800 -0.413 0.000 2.489 58 G HA2 0.407 4.367 3.960 -0.000 0.000 0.305 58 G HA3 0.407 4.367 3.960 -0.000 0.000 0.305 58 G C -1.590 173.378 174.900 0.112 0.000 1.311 58 G CA -1.019 44.067 45.100 -0.023 0.000 0.813 58 G HN 0.460 nan 8.290 nan 0.000 0.480 59 R N 0.448 120.936 120.500 -0.021 0.000 2.390 59 R HA 0.326 4.665 4.340 -0.000 0.000 0.291 59 R C -1.108 174.934 176.300 -0.429 0.000 1.070 59 R CA -0.621 55.169 56.100 -0.517 0.000 1.014 59 R CB 1.350 31.064 30.300 -0.977 0.000 1.007 59 R HN 0.353 nan 8.270 nan 0.000 0.466 60 D N 3.590 123.785 120.400 -0.341 0.000 2.563 60 D HA 0.053 4.693 4.640 -0.000 0.000 0.222 60 D C 0.456 176.569 176.300 -0.311 0.000 1.145 60 D CA -0.324 53.538 54.000 -0.229 0.000 1.001 60 D CB -0.012 40.732 40.800 -0.093 0.000 1.049 60 D HN 0.433 nan 8.370 nan 0.000 0.515 61 F N 0.739 120.647 119.950 -0.070 0.000 2.192 61 F HA -0.162 4.365 4.527 -0.000 0.000 0.301 61 F C 2.336 178.088 175.800 -0.079 0.000 1.079 61 F CA 0.746 58.706 58.000 -0.067 0.000 1.303 61 F CB 0.092 39.069 39.000 -0.038 0.000 1.024 61 F HN 0.246 nan 8.300 nan 0.000 0.494 62 E N 0.230 120.467 120.200 0.062 0.000 2.152 62 E HA -0.085 4.265 4.350 -0.000 0.000 0.192 62 E C 2.385 178.962 176.600 -0.039 0.000 0.983 62 E CA 0.937 57.339 56.400 0.004 0.000 0.818 62 E CB -0.492 29.191 29.700 -0.029 0.000 0.758 62 E HN 0.363 nan 8.360 nan 0.000 0.467 63 A N 0.350 123.124 122.820 -0.077 0.000 1.969 63 A HA -0.016 4.304 4.320 -0.000 0.000 0.218 63 A C 0.994 178.508 177.584 -0.116 0.000 1.169 63 A CA 0.628 52.609 52.037 -0.093 0.000 0.635 63 A CB 0.139 19.077 19.000 -0.104 0.000 0.810 63 A HN 0.174 nan 8.150 nan 0.000 0.445 64 L N -0.526 120.621 121.223 -0.126 0.000 2.639 64 L HA 0.443 4.783 4.340 -0.000 0.000 0.264 64 L C -0.334 176.501 176.870 -0.059 0.000 0.948 64 L CA -0.472 54.286 54.840 -0.137 0.000 0.912 64 L CB 1.470 43.363 42.059 -0.276 0.000 1.294 64 L HN 0.533 nan 8.230 nan 0.000 0.412 65 M N 2.413 122.004 119.600 -0.016 0.000 2.012 65 M HA 0.470 4.950 4.480 -0.000 0.000 0.248 65 M C 0.394 176.726 176.300 0.053 0.000 1.238 65 M CA 0.153 55.475 55.300 0.038 0.000 0.980 65 M CB 0.329 32.939 32.600 0.017 0.000 1.346 65 M HN 0.668 nan 8.290 nan 0.000 0.511 66 N N -0.606 118.135 118.700 0.068 0.000 2.708 66 N HA -0.194 4.546 4.740 -0.000 0.000 0.251 66 N C -0.900 174.709 175.510 0.164 0.000 1.123 66 N CA 0.998 54.091 53.050 0.072 0.000 0.739 66 N CB -1.466 37.028 38.487 0.012 0.000 1.113 66 N HN 0.762 nan 8.380 nan 0.000 0.561 67 Q N -0.144 119.779 119.800 0.205 0.000 2.312 67 Q HA 0.166 4.505 4.340 -0.000 0.000 0.236 67 Q C 0.448 176.645 176.000 0.328 0.000 0.965 67 Q CA -0.387 55.562 55.803 0.244 0.000 0.894 67 Q CB 0.870 29.659 28.738 0.085 0.000 1.225 67 Q HN 0.210 nan 8.270 nan 0.000 0.478 68 H N 1.279 120.474 119.070 0.208 0.000 2.745 68 H HA 0.018 4.574 4.556 -0.000 0.000 0.373 68 H C -0.307 175.173 175.328 0.254 0.000 1.226 68 H CA 0.929 57.094 56.048 0.194 0.000 1.435 68 H CB 0.847 30.638 29.762 0.049 0.000 1.461 68 H HN 0.612 nan 8.280 nan 0.000 0.616 69 Q N 2.038 122.232 119.800 0.656 0.000 2.141 69 Q HA 0.138 4.478 4.340 -0.000 0.000 0.248 69 Q C -0.621 175.588 176.000 0.348 0.000 0.834 69 Q CA -0.341 55.742 55.803 0.466 0.000 1.096 69 Q CB 0.626 29.516 28.738 0.254 0.000 1.189 69 Q HN 0.538 nan 8.270 nan 0.000 0.471 70 D N 3.887 124.439 120.400 0.253 0.000 2.443 70 D HA 0.060 4.700 4.640 -0.000 0.000 0.239 70 D C -1.988 174.385 176.300 0.121 0.000 1.136 70 D CA -0.842 53.207 54.000 0.082 0.000 0.879 70 D CB 0.834 41.560 40.800 -0.124 0.000 1.195 70 D HN 0.066 nan 8.370 nan 0.000 0.443 71 P HA 0.112 nan 4.420 nan 0.000 0.276 71 P C -0.731 176.589 177.300 0.033 0.000 1.230 71 P CA -0.213 62.933 63.100 0.076 0.000 0.776 71 P CB 0.687 32.417 31.700 0.051 0.000 0.888 72 L N 2.105 123.342 121.223 0.022 0.000 2.350 72 L HA 0.273 4.613 4.340 -0.000 0.000 0.275 72 L C 0.908 177.693 176.870 -0.142 0.000 1.099 72 L CA -0.521 54.269 54.840 -0.084 0.000 0.808 72 L CB 0.395 42.408 42.059 -0.077 0.000 1.149 72 L HN 0.323 nan 8.230 nan 0.000 0.442 73 E N 2.001 122.058 120.200 -0.239 0.000 1.963 73 E HA 0.229 4.579 4.350 -0.000 0.000 0.274 73 E C -1.085 175.374 176.600 -0.234 0.000 1.061 73 E CA -0.195 56.084 56.400 -0.202 0.000 0.847 73 E CB 0.789 30.366 29.700 -0.204 0.000 1.083 73 E HN 0.216 nan 8.360 nan 0.000 0.402 74 V N 4.645 124.458 119.914 -0.169 0.000 2.348 74 V HA 0.359 4.479 4.120 -0.000 0.000 0.270 74 V C 0.501 176.522 176.094 -0.123 0.000 1.037 74 V CA -0.519 61.684 62.300 -0.162 0.000 0.872 74 V CB 0.881 32.628 31.823 -0.128 0.000 1.002 74 V HN 0.728 nan 8.190 nan 0.000 0.464 75 T N 1.809 116.286 114.554 -0.129 0.000 2.950 75 T HA 0.519 4.869 4.350 -0.000 0.000 0.288 75 T C -0.362 174.286 174.700 -0.086 0.000 1.035 75 T CA -0.723 61.318 62.100 -0.098 0.000 1.028 75 T CB 1.865 70.674 68.868 -0.099 0.000 1.109 75 T HN 0.621 nan 8.240 nan 0.000 0.514 76 Q N 0.857 120.617 119.800 -0.068 0.000 2.314 76 Q HA 0.150 4.490 4.340 -0.000 0.000 0.258 76 Q C -0.905 175.055 176.000 -0.067 0.000 0.954 76 Q CA -0.445 55.323 55.803 -0.059 0.000 0.890 76 Q CB 0.622 29.332 28.738 -0.047 0.000 1.210 76 Q HN 0.712 nan 8.270 nan 0.000 0.410 77 D N 3.828 124.189 120.400 -0.065 0.000 2.411 77 D HA 0.053 4.693 4.640 -0.000 0.000 0.225 77 D C 0.713 176.972 176.300 -0.069 0.000 1.156 77 D CA -0.475 53.486 54.000 -0.065 0.000 0.874 77 D CB 1.062 41.828 40.800 -0.057 0.000 1.034 77 D HN 0.443 nan 8.370 nan 0.000 0.502 78 V N 2.007 121.879 119.914 -0.070 0.000 3.541 78 V HA 0.003 4.123 4.120 -0.000 0.000 0.272 78 V C 1.356 177.402 176.094 -0.079 0.000 1.215 78 V CA 1.314 63.566 62.300 -0.081 0.000 1.176 78 V CB -1.348 30.432 31.823 -0.071 0.000 0.854 78 V HN 0.628 nan 8.190 nan 0.000 0.496 79 T N -2.382 112.136 114.554 -0.060 0.000 3.145 79 T HA 0.348 4.698 4.350 -0.000 0.000 0.255 79 T C 0.857 175.532 174.700 -0.042 0.000 1.039 79 T CA -0.237 61.837 62.100 -0.043 0.000 0.928 79 T CB -0.150 68.709 68.868 -0.014 0.000 1.029 79 T HN 0.575 nan 8.240 nan 0.000 0.554 80 R N 0.420 120.877 120.500 -0.072 0.000 2.522 80 R HA 0.267 4.607 4.340 -0.000 0.000 0.373 80 R C 0.063 176.268 176.300 -0.159 0.000 1.062 80 R CA -0.265 55.791 56.100 -0.074 0.000 1.167 80 R CB 0.181 30.485 30.300 0.005 0.000 1.378 80 R HN 0.280 nan 8.270 nan 0.000 0.662 81 E N 0.185 120.218 120.200 -0.279 0.000 3.302 81 E HA -0.296 4.054 4.350 -0.000 0.000 0.430 81 E C -0.638 175.610 176.600 -0.587 0.000 1.543 81 E CA 1.958 58.011 56.400 -0.578 0.000 1.197 81 E CB -0.584 28.696 29.700 -0.699 0.000 1.429 81 E HN 0.263 nan 8.360 nan 0.000 0.455 82 W N 1.241 122.467 121.300 -0.123 0.000 2.317 82 W HA 0.630 5.290 4.660 -0.000 0.000 0.327 82 W C -0.057 176.369 176.519 -0.154 0.000 1.036 82 W CA 0.176 57.419 57.345 -0.170 0.000 1.419 82 W CB 0.628 29.919 29.460 -0.283 0.000 1.253 82 W HN 0.449 nan 8.180 nan 0.000 0.392 83 A N 3.336 126.179 122.820 0.038 0.000 2.577 83 A HA 0.635 4.955 4.320 -0.000 0.000 0.297 83 A C -1.189 176.384 177.584 -0.018 0.000 1.060 83 A CA -0.893 51.150 52.037 0.009 0.000 0.697 83 A CB 1.745 20.750 19.000 0.009 0.000 1.281 83 A HN 0.449 nan 8.150 nan 0.000 0.402 84 K N 0.978 121.360 120.400 -0.030 0.000 2.259 84 K HA 0.672 4.992 4.320 -0.000 0.000 0.249 84 K C -0.646 175.905 176.600 -0.082 0.000 0.942 84 K CA -0.693 55.560 56.287 -0.057 0.000 0.816 84 K CB 2.458 34.923 32.500 -0.059 0.000 1.155 84 K HN 0.810 nan 8.250 nan 0.000 0.428 85 K N -0.629 119.704 120.400 -0.112 0.000 2.512 85 K HA 0.562 4.882 4.320 -0.000 0.000 0.263 85 K C -1.449 175.023 176.600 -0.212 0.000 0.966 85 K CA -0.918 55.280 56.287 -0.148 0.000 0.851 85 K CB 1.866 34.286 32.500 -0.134 0.000 1.395 85 K HN 0.221 nan 8.250 nan 0.000 0.440 86 V N 1.763 121.503 119.914 -0.290 0.000 2.531 86 V HA 0.413 4.533 4.120 -0.000 0.000 0.301 86 V C -0.963 174.822 176.094 -0.515 0.000 1.034 86 V CA -0.807 61.198 62.300 -0.492 0.000 0.865 86 V CB 1.695 33.099 31.823 -0.699 0.000 0.995 86 V HN 0.610 nan 8.190 nan 0.000 0.424 87 V N 3.501 123.131 119.914 -0.473 0.000 2.555 87 V HA 0.487 4.607 4.120 -0.000 0.000 0.302 87 V C -0.847 175.065 176.094 -0.303 0.000 1.038 87 V CA -0.666 61.472 62.300 -0.270 0.000 0.887 87 V CB 2.370 34.101 31.823 -0.154 0.000 0.991 87 V HN 0.811 nan 8.190 nan 0.000 0.434 88 W N 3.806 125.040 121.300 -0.109 0.000 2.314 88 W HA 0.402 5.062 4.660 -0.000 0.000 0.310 88 W C 0.246 176.721 176.519 -0.074 0.000 1.075 88 W CA -1.129 56.160 57.345 -0.093 0.000 1.253 88 W CB 1.510 30.907 29.460 -0.106 0.000 1.238 88 W HN 0.437 nan 8.180 nan 0.000 0.440 89 K N 3.327 123.795 120.400 0.112 0.000 2.477 89 K HA -0.128 4.192 4.320 -0.000 0.000 0.275 89 K C 0.587 177.224 176.600 0.063 0.000 1.054 89 K CA 0.356 56.677 56.287 0.056 0.000 1.135 89 K CB 0.479 33.000 32.500 0.034 0.000 0.854 89 K HN 0.419 nan 8.250 nan 0.000 0.484 90 R N 2.537 123.058 120.500 0.035 0.000 2.566 90 R HA -0.160 4.180 4.340 -0.000 0.000 0.273 90 R C 0.269 176.580 176.300 0.019 0.000 0.981 90 R CA 0.938 57.051 56.100 0.022 0.000 1.091 90 R CB 0.118 30.423 30.300 0.008 0.000 0.924 90 R HN 0.734 nan 8.270 nan 0.000 0.411 91 E N 0.814 121.021 120.200 0.011 0.000 3.562 91 E HA -0.321 4.029 4.350 -0.000 0.000 0.298 91 E C 0.176 176.784 176.600 0.013 0.000 0.830 91 E CA 1.650 58.054 56.400 0.007 0.000 1.013 91 E CB -0.396 29.307 29.700 0.006 0.000 1.510 91 E HN 0.421 nan 8.360 nan 0.000 0.463 92 K N 0.580 120.995 120.400 0.026 0.000 2.440 92 K HA 0.293 4.613 4.320 -0.000 0.000 0.206 92 K C 0.127 176.752 176.600 0.042 0.000 1.025 92 K CA 0.660 56.967 56.287 0.034 0.000 1.135 92 K CB 0.546 33.072 32.500 0.043 0.000 0.856 92 K HN 0.190 nan 8.250 nan 0.000 0.502 93 A N 0.930 123.758 122.820 0.014 0.000 3.077 93 A HA 0.230 4.550 4.320 -0.000 0.000 0.255 93 A C 0.407 177.947 177.584 -0.073 0.000 1.728 93 A CA -0.202 51.810 52.037 -0.042 0.000 1.383 93 A CB -0.714 18.246 19.000 -0.067 0.000 1.097 93 A HN 0.347 nan 8.150 nan 0.000 0.634 94 S N 1.225 116.895 115.700 -0.051 0.000 2.183 94 S HA 0.014 4.484 4.470 -0.000 0.000 0.189 94 S C 0.876 175.402 174.600 -0.124 0.000 1.420 94 S CA 0.257 58.425 58.200 -0.054 0.000 1.591 94 S CB -0.127 63.056 63.200 -0.029 0.000 0.525 94 S HN 0.740 nan 8.310 nan 0.000 0.388 95 K N 2.776 123.068 120.400 -0.180 0.000 2.127 95 K HA 0.191 4.511 4.320 -0.000 0.000 0.261 95 K C 0.199 176.576 176.600 -0.373 0.000 1.129 95 K CA 0.060 56.120 56.287 -0.378 0.000 0.993 95 K CB -0.754 31.224 32.500 -0.871 0.000 1.410 95 K HN 0.732 nan 8.250 nan 0.000 0.380 96 I N -1.552 118.836 120.570 -0.302 0.000 3.976 96 I HA 0.160 4.330 4.170 -0.000 0.000 0.337 96 I C -0.767 175.268 176.117 -0.136 0.000 1.359 96 I CA -0.804 60.313 61.300 -0.304 0.000 1.098 96 I CB -0.014 37.505 38.000 -0.803 0.000 1.027 96 I HN 0.006 nan 8.210 nan 0.000 0.394 97 N N 2.835 121.479 118.700 -0.092 0.000 2.412 97 N HA 0.524 5.264 4.740 -0.000 0.000 0.254 97 N C 0.180 175.777 175.510 0.146 0.000 1.232 97 N CA 1.324 54.455 53.050 0.134 0.000 0.880 97 N CB 0.914 39.547 38.487 0.243 0.000 1.076 97 N HN 0.648 nan 8.380 nan 0.000 0.458 98 G N -1.026 107.870 108.800 0.159 0.000 2.353 98 G HA2 0.454 4.414 3.960 -0.000 0.000 0.308 98 G HA3 0.454 4.414 3.960 -0.000 0.000 0.308 98 G C -1.670 173.051 174.900 -0.299 0.000 1.418 98 G CA -0.441 44.527 45.100 -0.219 0.000 0.966 98 G HN 0.621 nan 8.290 nan 0.000 0.638 99 A N -0.054 122.494 122.820 -0.455 0.000 2.328 99 A HA 0.813 5.132 4.320 -0.000 0.000 0.284 99 A C -0.740 176.621 177.584 -0.372 0.000 1.160 99 A CA -0.095 51.774 52.037 -0.281 0.000 0.818 99 A CB 0.201 19.050 19.000 -0.250 0.000 1.087 99 A HN 0.884 nan 8.150 nan 0.000 0.504 100 Y N 0.410 120.714 120.300 0.006 0.000 2.650 100 Y HA 0.728 5.277 4.550 -0.000 0.000 0.331 100 Y C -0.151 175.860 175.900 0.186 0.000 1.082 100 Y CA -0.688 57.456 58.100 0.073 0.000 1.171 100 Y CB 1.864 40.352 38.460 0.048 0.000 1.326 100 Y HN 0.804 nan 8.280 nan 0.000 0.513 101 F N -0.640 119.411 119.950 0.168 0.000 2.719 101 F HA 0.628 5.154 4.527 -0.000 0.000 0.309 101 F C -1.728 174.138 175.800 0.111 0.000 1.138 101 F CA -1.757 56.308 58.000 0.109 0.000 0.943 101 F CB 1.036 40.071 39.000 0.058 0.000 1.304 101 F HN 0.658 nan 8.300 nan 0.000 0.445 102 c N 2.045 120.536 118.600 -0.182 0.000 2.516 102 c HA 0.764 5.333 4.570 -0.000 0.000 0.338 102 c C -1.005 173.129 174.090 0.074 0.000 1.132 102 c CA -0.269 55.905 56.329 -0.258 0.000 1.310 102 c CB 0.874 43.311 42.510 -0.122 0.000 1.898 102 c HN 1.187 nan 8.230 nan 0.000 0.452 103 E N 2.380 122.659 120.200 0.131 0.000 2.202 103 E HA 0.689 5.039 4.350 -0.000 0.000 0.272 103 E C -0.194 176.519 176.600 0.189 0.000 0.951 103 E CA -0.396 56.165 56.400 0.268 0.000 0.813 103 E CB 2.000 31.962 29.700 0.436 0.000 1.151 103 E HN 1.081 nan 8.360 nan 0.000 0.398 104 G N 3.181 112.104 108.800 0.204 0.000 2.609 104 G HA2 0.412 4.372 3.960 -0.000 0.000 0.308 104 G HA3 0.412 4.372 3.960 -0.000 0.000 0.308 104 G C -0.981 174.033 174.900 0.190 0.000 1.369 104 G CA -0.681 44.560 45.100 0.235 0.000 0.958 104 G HN 0.436 nan 8.290 nan 0.000 0.499 105 R N 1.453 122.055 120.500 0.171 0.000 2.265 105 R HA 0.501 4.841 4.340 -0.000 0.000 0.328 105 R C -0.974 175.385 176.300 0.098 0.000 0.969 105 R CA -0.579 55.589 56.100 0.113 0.000 0.832 105 R CB 2.241 32.599 30.300 0.097 0.000 1.139 105 R HN 0.280 nan 8.270 nan 0.000 0.457 106 V N 4.614 124.543 119.914 0.024 0.000 2.380 106 V HA 0.259 4.379 4.120 -0.000 0.000 0.286 106 V C 0.310 176.372 176.094 -0.054 0.000 1.015 106 V CA -0.901 61.373 62.300 -0.044 0.000 0.834 106 V CB 1.129 32.841 31.823 -0.185 0.000 1.009 106 V HN 0.858 nan 8.190 nan 0.000 0.428 107 R N 3.586 124.065 120.500 -0.034 0.000 3.322 107 R HA -0.241 4.099 4.340 -0.000 0.000 0.253 107 R C 1.219 177.511 176.300 -0.012 0.000 0.987 107 R CA 0.678 56.761 56.100 -0.028 0.000 0.666 107 R CB -1.742 28.523 30.300 -0.058 0.000 1.072 107 R HN 1.524 nan 8.270 nan 0.000 0.447 108 G N -0.456 108.347 108.800 0.005 0.000 2.241 108 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.244 108 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.244 108 G C -0.049 174.859 174.900 0.013 0.000 0.998 108 G CA 0.406 45.513 45.100 0.012 0.000 0.621 108 G HN 0.542 nan 8.290 nan 0.000 0.519 109 E N 0.738 120.939 120.200 0.003 0.000 2.191 109 E HA 0.681 5.031 4.350 -0.000 0.000 0.278 109 E C 0.105 176.718 176.600 0.022 0.000 0.972 109 E CA -0.170 56.233 56.400 0.006 0.000 0.804 109 E CB 1.218 30.907 29.700 -0.018 0.000 1.110 109 E HN 0.714 nan 8.360 nan 0.000 0.394 110 A N 5.052 127.897 122.820 0.041 0.000 2.304 110 A HA 0.513 4.833 4.320 -0.000 0.000 0.323 110 A C -0.622 177.009 177.584 0.077 0.000 1.195 110 A CA -0.676 51.403 52.037 0.070 0.000 0.826 110 A CB 0.472 19.519 19.000 0.079 0.000 1.184 110 A HN 0.663 nan 8.150 nan 0.000 0.496 111 I N 2.415 123.045 120.570 0.101 0.000 2.328 111 I HA 0.388 4.557 4.170 -0.000 0.000 0.287 111 I C 0.157 176.371 176.117 0.161 0.000 1.012 111 I CA -0.234 61.131 61.300 0.109 0.000 1.195 111 I CB 1.267 39.322 38.000 0.092 0.000 1.350 111 I HN 0.607 nan 8.210 nan 0.000 0.464 112 R N 6.205 126.803 120.500 0.163 0.000 2.514 112 R HA 0.755 5.095 4.340 -0.000 0.000 0.301 112 R C -1.056 175.366 176.300 0.202 0.000 0.962 112 R CA -0.363 55.865 56.100 0.212 0.000 0.882 112 R CB 1.738 32.143 30.300 0.175 0.000 1.143 112 R HN 0.530 nan 8.270 nan 0.000 0.452 113 I N 2.785 123.496 120.570 0.235 0.000 2.533 113 I HA 0.495 4.665 4.170 -0.000 0.000 0.290 113 I C -0.276 175.977 176.117 0.226 0.000 1.056 113 I CA -0.825 60.598 61.300 0.204 0.000 1.057 113 I CB 2.163 40.271 38.000 0.180 0.000 1.240 113 I HN 0.381 nan 8.210 nan 0.000 0.423 114 R N 3.525 124.144 120.500 0.198 0.000 2.832 114 R HA 0.902 5.242 4.340 -0.000 0.000 0.271 114 R C -1.007 175.390 176.300 0.163 0.000 0.996 114 R CA -0.804 55.415 56.100 0.198 0.000 0.977 114 R CB 2.521 32.917 30.300 0.160 0.000 1.168 114 R HN 0.600 nan 8.270 nan 0.000 0.482 115 T N 0.248 114.902 114.554 0.168 0.000 2.739 115 T HA 0.516 4.866 4.350 -0.000 0.000 0.303 115 T C -1.115 173.689 174.700 0.173 0.000 1.389 115 T CA -0.950 61.238 62.100 0.148 0.000 1.001 115 T CB 1.464 70.405 68.868 0.122 0.000 1.436 115 T HN 0.319 nan 8.240 nan 0.000 0.500 116 M N 0.538 120.237 119.600 0.165 0.000 2.691 116 M HA 0.674 5.154 4.480 -0.000 0.000 0.293 116 M C -1.132 175.290 176.300 0.204 0.000 1.259 116 M CA -0.760 54.659 55.300 0.198 0.000 0.827 116 M CB 2.074 34.769 32.600 0.157 0.000 1.753 116 M HN 0.241 nan 8.290 nan 0.000 0.465 117 K N 2.097 122.646 120.400 0.249 0.000 2.426 117 K HA 0.897 5.217 4.320 -0.000 0.000 0.251 117 K C -1.417 175.322 176.600 0.233 0.000 0.941 117 K CA -0.480 55.877 56.287 0.116 0.000 0.808 117 K CB 2.447 34.904 32.500 -0.071 0.000 1.265 117 K HN 0.938 nan 8.250 nan 0.000 0.432 118 M N -0.584 119.076 119.600 0.100 0.000 2.534 118 M HA 0.488 4.968 4.480 -0.000 0.000 0.280 118 M C -0.853 175.436 176.300 -0.019 0.000 1.217 118 M CA -0.985 54.348 55.300 0.056 0.000 0.893 118 M CB 1.943 34.538 32.600 -0.007 0.000 1.730 118 M HN 0.205 nan 8.290 nan 0.000 0.483 119 R N 1.888 122.370 120.500 -0.030 0.000 2.458 119 R HA 0.007 4.347 4.340 -0.000 0.000 0.303 119 R C 0.868 177.152 176.300 -0.027 0.000 1.013 119 R CA 0.120 56.203 56.100 -0.028 0.000 1.026 119 R CB 0.733 31.028 30.300 -0.008 0.000 0.948 119 R HN 0.844 nan 8.270 nan 0.000 0.417 120 Q N 2.876 122.661 119.800 -0.026 0.000 2.170 120 Q HA -0.231 4.109 4.340 -0.000 0.000 0.203 120 Q C 1.045 177.036 176.000 -0.015 0.000 0.976 120 Q CA 1.586 57.378 55.803 -0.019 0.000 0.858 120 Q CB 0.251 28.976 28.738 -0.022 0.000 0.907 120 Q HN 0.603 nan 8.270 nan 0.000 0.433 121 Q N 0.248 120.039 119.800 -0.014 0.000 2.439 121 Q HA 0.024 4.363 4.340 -0.000 0.000 0.211 121 Q C 0.603 176.596 176.000 -0.013 0.000 0.978 121 Q CA 0.183 55.980 55.803 -0.010 0.000 0.897 121 Q CB -0.323 28.413 28.738 -0.003 0.000 0.956 121 Q HN 0.369 nan 8.270 nan 0.000 0.483 122 A N 0.923 123.734 122.820 -0.015 0.000 2.642 122 A HA -0.139 4.181 4.320 -0.000 0.000 0.228 122 A C 1.110 178.669 177.584 -0.041 0.000 1.045 122 A CA 0.654 52.680 52.037 -0.018 0.000 0.760 122 A CB 0.203 19.190 19.000 -0.020 0.000 0.958 122 A HN 0.304 nan 8.150 nan 0.000 0.505 123 S N -0.008 115.659 115.700 -0.056 0.000 2.436 123 S HA 0.196 4.666 4.470 -0.000 0.000 0.228 123 S C -0.077 174.186 174.600 -0.561 0.000 1.014 123 S CA 0.851 58.918 58.200 -0.222 0.000 0.950 123 S CB -0.202 62.916 63.200 -0.137 0.000 0.784 123 S HN 0.534 nan 8.310 nan 0.000 0.504 124 F N 0.348 120.238 119.950 -0.100 0.000 2.565 124 F HA 0.544 5.071 4.527 -0.000 0.000 0.313 124 F C -0.433 175.375 175.800 0.014 0.000 1.091 124 F CA -0.928 57.033 58.000 -0.066 0.000 0.915 124 F CB 1.329 40.238 39.000 -0.151 0.000 1.208 124 F HN -0.149 nan 8.300 nan 0.000 0.453 125 L N 4.418 125.786 121.223 0.240 0.000 2.331 125 L HA 0.433 4.773 4.340 -0.000 0.000 0.275 125 L C -1.465 175.560 176.870 0.258 0.000 1.022 125 L CA -1.871 53.078 54.840 0.182 0.000 0.812 125 L CB 2.254 44.368 42.059 0.092 0.000 1.257 125 L HN 0.372 nan 8.230 nan 0.000 0.435 126 P HA -0.194 nan 4.420 nan 0.000 0.231 126 P C 0.867 178.069 177.300 -0.164 0.000 1.158 126 P CA 1.408 64.522 63.100 0.023 0.000 0.763 126 P CB 0.510 32.249 31.700 0.066 0.000 0.805 127 A N -1.850 120.937 122.820 -0.055 0.000 2.066 127 A HA -0.232 4.088 4.320 -0.000 0.000 0.231 127 A C 0.858 178.398 177.584 -0.073 0.000 0.465 127 A CA 2.166 54.158 52.037 -0.076 0.000 1.110 127 A CB -2.616 16.300 19.000 -0.140 0.000 1.434 127 A HN 0.475 nan 8.150 nan 0.000 0.706 128 T N -1.556 112.934 114.554 -0.106 0.000 3.041 128 T HA 0.539 4.888 4.350 -0.000 0.000 0.321 128 T C 0.617 175.287 174.700 -0.050 0.000 1.184 128 T CA 0.020 62.079 62.100 -0.068 0.000 1.050 128 T CB 0.900 69.717 68.868 -0.086 0.000 1.159 128 T HN 0.723 nan 8.240 nan 0.000 0.469 129 L N 3.228 124.452 121.223 0.002 0.000 2.027 129 L HA 0.174 4.514 4.340 -0.000 0.000 0.206 129 L C 1.376 178.269 176.870 0.038 0.000 1.074 129 L CA 2.082 56.946 54.840 0.041 0.000 0.745 129 L CB -0.700 41.397 42.059 0.064 0.000 0.898 129 L HN 0.939 nan 8.230 nan 0.000 0.433 130 T N -3.414 111.149 114.554 0.015 0.000 2.901 130 T HA 0.545 4.895 4.350 -0.000 0.000 0.293 130 T C -0.582 174.096 174.700 -0.038 0.000 1.084 130 T CA -0.585 61.520 62.100 0.009 0.000 1.008 130 T CB 2.856 71.742 68.868 0.030 0.000 1.170 130 T HN 0.077 nan 8.240 nan 0.000 0.509 131 M N 1.542 121.114 119.600 -0.046 0.000 2.322 131 M HA 0.483 4.963 4.480 -0.000 0.000 0.286 131 M C -1.647 174.616 176.300 -0.062 0.000 1.111 131 M CA -0.318 54.938 55.300 -0.073 0.000 0.941 131 M CB 2.399 34.942 32.600 -0.096 0.000 1.671 131 M HN 0.880 nan 8.290 nan 0.000 0.470 132 T N 4.119 118.627 114.554 -0.076 0.000 2.823 132 T HA 0.734 5.084 4.350 -0.000 0.000 0.279 132 T C -0.650 174.018 174.700 -0.053 0.000 0.998 132 T CA -0.619 61.446 62.100 -0.059 0.000 0.994 132 T CB 1.421 70.245 68.868 -0.073 0.000 0.960 132 T HN 0.589 nan 8.240 nan 0.000 0.448 133 V N -0.354 119.537 119.914 -0.038 0.000 3.167 133 V HA 0.727 4.847 4.120 -0.000 0.000 0.310 133 V C -1.204 174.879 176.094 -0.018 0.000 1.207 133 V CA -1.197 61.083 62.300 -0.034 0.000 1.059 133 V CB 2.260 34.056 31.823 -0.045 0.000 1.079 133 V HN 0.687 nan 8.190 nan 0.000 0.446 134 D N 0.265 120.658 120.400 -0.011 0.000 2.277 134 D HA 0.306 4.946 4.640 -0.000 0.000 0.250 134 D C 0.552 176.855 176.300 0.004 0.000 1.032 134 D CA -0.540 53.461 54.000 0.001 0.000 0.947 134 D CB 2.301 43.106 40.800 0.008 0.000 1.159 134 D HN 0.736 nan 8.370 nan 0.000 0.460 135 K N 0.780 121.185 120.400 0.008 0.000 2.160 135 K HA -0.163 4.157 4.320 -0.000 0.000 0.206 135 K C 1.665 178.279 176.600 0.023 0.000 1.047 135 K CA 1.471 57.765 56.287 0.011 0.000 0.930 135 K CB -0.247 32.256 32.500 0.006 0.000 0.720 135 K HN 0.540 nan 8.250 nan 0.000 0.450 136 G N 1.004 109.821 108.800 0.028 0.000 2.496 136 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.214 136 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.214 136 G C -0.238 174.708 174.900 0.077 0.000 1.234 136 G CA 0.304 45.439 45.100 0.057 0.000 0.807 136 G HN 0.358 nan 8.290 nan 0.000 0.543 137 D N 0.743 121.163 120.400 0.034 0.000 3.888 137 D HA -0.113 4.527 4.640 -0.000 0.000 0.110 137 D C -0.173 176.098 176.300 -0.048 0.000 0.927 137 D CA 0.852 54.850 54.000 -0.004 0.000 0.508 137 D CB -0.034 40.752 40.800 -0.024 0.000 1.015 137 D HN 0.181 nan 8.370 nan 0.000 0.499 138 N N 1.105 119.748 118.700 -0.094 0.000 2.500 138 N HA 0.255 4.995 4.740 -0.000 0.000 0.236 138 N C -0.514 174.878 175.510 -0.197 0.000 1.022 138 N CA -0.465 52.468 53.050 -0.196 0.000 0.935 138 N CB 0.950 39.326 38.487 -0.184 0.000 1.147 138 N HN 0.090 nan 8.380 nan 0.000 0.512 139 V N 2.013 121.781 119.914 -0.244 0.000 3.051 139 V HA 0.176 4.296 4.120 -0.000 0.000 0.306 139 V C 0.504 176.436 176.094 -0.270 0.000 1.083 139 V CA -0.222 61.944 62.300 -0.224 0.000 1.104 139 V CB 0.966 32.663 31.823 -0.210 0.000 1.027 139 V HN 0.672 nan 8.190 nan 0.000 0.483 140 N N 2.565 121.158 118.700 -0.178 0.000 2.725 140 N HA 0.320 5.060 4.740 -0.000 0.000 0.248 140 N C -0.868 174.553 175.510 -0.148 0.000 1.402 140 N CA -0.357 52.626 53.050 -0.111 0.000 0.766 140 N CB 0.451 38.924 38.487 -0.024 0.000 1.223 140 N HN 0.584 nan 8.380 nan 0.000 0.515 141 I N 1.842 122.285 120.570 -0.212 0.000 2.505 141 I HA 0.093 4.263 4.170 -0.000 0.000 0.287 141 I C 0.379 176.386 176.117 -0.183 0.000 1.104 141 I CA 0.080 61.219 61.300 -0.268 0.000 1.387 141 I CB 0.278 38.034 38.000 -0.406 0.000 1.404 141 I HN 0.368 nan 8.210 nan 0.000 0.528 142 S N 5.986 121.524 115.700 -0.269 0.000 2.542 142 S HA 0.765 5.235 4.470 -0.000 0.000 0.293 142 S C -0.859 173.530 174.600 -0.353 0.000 1.089 142 S CA -0.821 57.281 58.200 -0.163 0.000 0.961 142 S CB 1.759 64.916 63.200 -0.072 0.000 1.062 142 S HN 0.291 nan 8.310 nan 0.000 0.483 143 F N 0.772 120.708 119.950 -0.023 0.000 2.532 143 F HA 0.593 5.120 4.527 -0.000 0.000 0.321 143 F C 0.254 176.113 175.800 0.097 0.000 1.089 143 F CA -0.898 57.116 58.000 0.023 0.000 0.926 143 F CB 2.062 41.044 39.000 -0.030 0.000 1.168 143 F HN 0.607 nan 8.300 nan 0.000 0.459 144 K N 2.797 123.366 120.400 0.282 0.000 2.227 144 K HA 0.250 4.570 4.320 -0.000 0.000 0.280 144 K C -0.324 176.413 176.600 0.229 0.000 1.041 144 K CA -0.685 55.725 56.287 0.205 0.000 0.905 144 K CB 0.859 33.420 32.500 0.101 0.000 1.068 144 K HN 0.623 nan 8.250 nan 0.000 0.470 145 K N 3.465 123.970 120.400 0.176 0.000 2.416 145 K HA 0.038 4.358 4.320 -0.000 0.000 0.283 145 K C 0.110 176.620 176.600 -0.149 0.000 1.037 145 K CA -0.206 56.025 56.287 -0.093 0.000 0.995 145 K CB 0.766 33.255 32.500 -0.019 0.000 0.938 145 K HN 0.468 nan 8.250 nan 0.000 0.475 146 V N 4.928 124.672 119.914 -0.282 0.000 2.854 146 V HA 0.093 4.213 4.120 -0.000 0.000 0.236 146 V C 0.511 176.524 176.094 -0.136 0.000 1.157 146 V CA 0.173 62.381 62.300 -0.153 0.000 1.187 146 V CB 0.135 31.887 31.823 -0.118 0.000 0.949 146 V HN 0.638 nan 8.190 nan 0.000 0.488 147 L N 1.126 122.241 121.223 -0.180 0.000 2.307 147 L HA 0.505 4.845 4.340 -0.000 0.000 0.284 147 L C -0.781 176.088 176.870 -0.002 0.000 1.023 147 L CA -0.256 54.543 54.840 -0.069 0.000 0.810 147 L CB 1.937 43.982 42.059 -0.024 0.000 1.231 147 L HN 0.168 nan 8.230 nan 0.000 0.423 148 I N 4.447 125.013 120.570 -0.007 0.000 2.291 148 I HA 0.212 4.381 4.170 -0.000 0.000 0.292 148 I C -0.106 175.959 176.117 -0.085 0.000 1.064 148 I CA -0.149 61.157 61.300 0.010 0.000 1.269 148 I CB 0.386 38.385 38.000 -0.000 0.000 1.418 148 I HN 0.511 nan 8.210 nan 0.000 0.485 149 K N 5.259 125.502 120.400 -0.262 0.000 2.259 149 K HA 0.370 4.690 4.320 -0.000 0.000 0.252 149 K C -0.579 175.791 176.600 -0.383 0.000 0.936 149 K CA -0.870 55.142 56.287 -0.458 0.000 0.810 149 K CB 1.770 33.737 32.500 -0.888 0.000 1.143 149 K HN 0.345 nan 8.250 nan 0.000 0.427 150 E N 2.789 122.857 120.200 -0.220 0.000 2.148 150 E HA 0.006 4.356 4.350 -0.000 0.000 0.308 150 E C -0.624 175.911 176.600 -0.109 0.000 1.278 150 E CA -0.181 56.152 56.400 -0.112 0.000 1.368 150 E CB -0.459 29.206 29.700 -0.058 0.000 1.229 150 E HN 0.491 nan 8.360 nan 0.000 0.494 151 E N -0.680 119.439 120.200 -0.135 0.000 2.429 151 E HA 0.307 4.656 4.350 -0.000 0.000 0.280 151 E C -1.300 175.371 176.600 0.119 0.000 1.068 151 E CA -1.155 55.224 56.400 -0.036 0.000 0.837 151 E CB 0.605 30.256 29.700 -0.082 0.000 1.357 151 E HN -0.138 nan 8.360 nan 0.000 0.455 152 D N 0.352 120.838 120.400 0.144 0.000 2.472 152 D HA 0.378 5.018 4.640 -0.000 0.000 0.237 152 D C -0.640 175.820 176.300 0.267 0.000 1.141 152 D CA 0.537 54.637 54.000 0.166 0.000 0.875 152 D CB 1.159 42.022 40.800 0.105 0.000 1.192 152 D HN 0.588 nan 8.370 nan 0.000 0.450 153 A N 1.329 124.226 122.820 0.129 0.000 2.330 153 A HA 0.672 4.992 4.320 -0.000 0.000 0.327 153 A C -0.446 176.994 177.584 -0.240 0.000 1.155 153 A CA -0.646 51.360 52.037 -0.052 0.000 0.803 153 A CB 1.142 20.040 19.000 -0.170 0.000 1.208 153 A HN 0.414 nan 8.150 nan 0.000 0.477 154 V N -0.167 119.549 119.914 -0.330 0.000 2.925 154 V HA 0.773 4.893 4.120 -0.000 0.000 0.311 154 V C -0.795 174.957 176.094 -0.570 0.000 1.104 154 V CA -0.725 61.292 62.300 -0.472 0.000 0.954 154 V CB 1.684 33.261 31.823 -0.411 0.000 1.022 154 V HN 0.703 nan 8.190 nan 0.000 0.427 155 I N 3.967 124.138 120.570 -0.665 0.000 2.420 155 I HA 0.510 4.680 4.170 -0.000 0.000 0.282 155 I C -0.887 174.927 176.117 -0.506 0.000 1.019 155 I CA -0.303 60.705 61.300 -0.487 0.000 1.130 155 I CB 1.300 39.135 38.000 -0.275 0.000 1.262 155 I HN 0.690 nan 8.210 nan 0.000 0.454 156 Y N 4.789 124.977 120.300 -0.187 0.000 2.496 156 Y HA 0.463 5.012 4.550 -0.000 0.000 0.325 156 Y C 0.422 176.263 175.900 -0.098 0.000 1.271 156 Y CA -0.546 57.475 58.100 -0.131 0.000 1.368 156 Y CB 1.135 39.549 38.460 -0.077 0.000 1.415 156 Y HN 0.323 nan 8.280 nan 0.000 0.527 157 K N 1.658 122.091 120.400 0.054 0.000 2.764 157 K HA 0.147 4.467 4.320 -0.000 0.000 0.239 157 K C -0.212 176.326 176.600 -0.104 0.000 1.048 157 K CA -0.075 56.078 56.287 -0.223 0.000 1.057 157 K CB 0.143 32.368 32.500 -0.458 0.000 1.251 157 K HN 0.852 nan 8.250 nan 0.000 0.524 158 N N 2.029 120.686 118.700 -0.071 0.000 2.319 158 N HA -0.222 4.518 4.740 -0.000 0.000 0.215 158 N C 0.483 175.977 175.510 -0.027 0.000 1.091 158 N CA 2.530 55.545 53.050 -0.059 0.000 2.762 158 N CB -1.179 37.266 38.487 -0.071 0.000 0.823 158 N HN 0.765 nan 8.380 nan 0.000 0.453 159 G N -0.929 107.872 108.800 0.001 0.000 4.320 159 G HA2 0.142 4.102 3.960 -0.000 0.000 0.150 159 G HA3 0.142 4.102 3.960 -0.000 0.000 0.150 159 G C -0.165 174.769 174.900 0.056 0.000 0.889 159 G CA 0.874 45.954 45.100 -0.033 0.000 0.877 159 G HN 0.979 nan 8.290 nan 0.000 0.425 160 S N 0.238 116.028 115.700 0.149 0.000 2.632 160 S HA 0.714 5.184 4.470 -0.000 0.000 0.271 160 S C -0.174 174.689 174.600 0.439 0.000 1.260 160 S CA -0.671 57.683 58.200 0.257 0.000 1.010 160 S CB 1.784 65.071 63.200 0.146 0.000 0.965 160 S HN 0.343 nan 8.310 nan 0.000 0.534 161 F N 1.274 121.370 119.950 0.243 0.000 2.496 161 F HA 0.354 4.881 4.527 -0.000 0.000 0.344 161 F C 0.916 176.701 175.800 -0.025 0.000 1.155 161 F CA 0.081 58.089 58.000 0.013 0.000 1.302 161 F CB 0.346 39.356 39.000 0.016 0.000 1.159 161 F HN 0.490 nan 8.300 nan 0.000 0.595 162 I N 1.453 121.739 120.570 -0.473 0.000 4.787 162 I HA 0.078 4.248 4.170 -0.000 0.000 0.309 162 I C -0.233 175.802 176.117 -0.137 0.000 1.169 162 I CA 0.177 61.395 61.300 -0.136 0.000 1.360 162 I CB -0.340 37.634 38.000 -0.044 0.000 1.591 162 I HN 0.558 nan 8.210 nan 0.000 0.480 163 H N -0.127 118.535 119.070 -0.680 0.000 3.017 163 H HA 0.543 5.099 4.556 -0.000 0.000 0.346 163 H C -1.407 173.577 175.328 -0.573 0.000 1.286 163 H CA -0.197 55.609 56.048 -0.403 0.000 1.120 163 H CB 2.563 32.187 29.762 -0.230 0.000 1.860 163 H HN -0.003 nan 8.280 nan 0.000 0.542 164 S N 1.901 117.284 115.700 -0.529 0.000 2.533 164 S HA 0.514 4.983 4.470 -0.000 0.000 0.271 164 S C -1.941 172.384 174.600 -0.459 0.000 1.143 164 S CA -0.542 57.430 58.200 -0.379 0.000 0.891 164 S CB 1.598 64.886 63.200 0.146 0.000 1.105 164 S HN 0.360 nan 8.310 nan 0.000 0.468 165 V N 5.366 125.089 119.914 -0.319 0.000 2.656 165 V HA 0.647 4.767 4.120 -0.000 0.000 0.307 165 V C -2.217 173.826 176.094 -0.084 0.000 1.051 165 V CA -1.877 60.293 62.300 -0.217 0.000 0.893 165 V CB 2.126 33.817 31.823 -0.221 0.000 0.999 165 V HN 0.815 nan 8.190 nan 0.000 0.426 166 P HA 0.198 nan 4.420 nan 0.000 0.275 166 P C 0.642 177.926 177.300 -0.026 0.000 1.228 166 P CA -0.243 62.834 63.100 -0.038 0.000 0.786 166 P CB 1.322 32.973 31.700 -0.082 0.000 0.927 167 R N 2.475 123.025 120.500 0.083 0.000 2.249 167 R HA -0.247 4.093 4.340 -0.000 0.000 0.229 167 R C 1.993 178.368 176.300 0.125 0.000 1.104 167 R CA 2.494 58.676 56.100 0.136 0.000 0.876 167 R CB -1.041 29.371 30.300 0.186 0.000 0.871 167 R HN 0.701 nan 8.270 nan 0.000 0.426 168 H N -0.466 118.623 119.070 0.033 0.000 2.562 168 H HA 0.077 4.633 4.556 -0.000 0.000 0.274 168 H C -0.058 175.293 175.328 0.038 0.000 1.038 168 H CA 0.763 56.830 56.048 0.030 0.000 1.161 168 H CB -0.095 29.678 29.762 0.019 0.000 1.318 168 H HN 0.507 nan 8.280 nan 0.000 0.617 169 E N 0.697 120.745 120.200 -0.254 0.000 2.876 169 E HA 0.188 4.538 4.350 -0.000 0.000 0.208 169 E C -0.681 175.883 176.600 -0.060 0.000 0.981 169 E CA -0.193 56.093 56.400 -0.190 0.000 1.174 169 E CB 1.378 30.893 29.700 -0.309 0.000 1.047 169 E HN 0.095 nan 8.360 nan 0.000 0.477 170 V N 4.519 124.443 119.914 0.017 0.000 2.387 170 V HA 0.142 4.261 4.120 -0.000 0.000 0.260 170 V C -1.509 174.643 176.094 0.096 0.000 1.054 170 V CA -1.242 61.107 62.300 0.081 0.000 0.967 170 V CB -0.423 31.527 31.823 0.211 0.000 1.036 170 V HN 0.134 nan 8.190 nan 0.000 0.481 171 P HA 0.199 nan 4.420 nan 0.000 0.274 171 P C 0.260 177.623 177.300 0.105 0.000 1.256 171 P CA -0.335 62.809 63.100 0.073 0.000 0.795 171 P CB 1.246 32.976 31.700 0.051 0.000 1.038 172 D N -0.673 119.774 120.400 0.078 0.000 2.265 172 D HA -0.002 4.638 4.640 -0.000 0.000 0.208 172 D C 0.424 176.786 176.300 0.104 0.000 0.977 172 D CA 1.354 55.400 54.000 0.076 0.000 0.871 172 D CB -0.132 40.696 40.800 0.047 0.000 0.925 172 D HN 0.321 nan 8.370 nan 0.000 0.485 173 I N 0.827 121.460 120.570 0.107 0.000 2.512 173 I HA 0.162 4.332 4.170 -0.000 0.000 0.287 173 I C -0.893 175.295 176.117 0.117 0.000 1.069 173 I CA -0.581 60.790 61.300 0.119 0.000 1.056 173 I CB 2.643 40.686 38.000 0.071 0.000 1.229 173 I HN -0.236 nan 8.210 nan 0.000 0.429 174 L N 7.267 128.577 121.223 0.145 0.000 2.270 174 L HA 0.426 4.766 4.340 -0.000 0.000 0.286 174 L C -0.225 176.725 176.870 0.134 0.000 1.059 174 L CA -0.089 54.788 54.840 0.061 0.000 0.839 174 L CB 0.432 42.384 42.059 -0.179 0.000 1.221 174 L HN 0.655 nan 8.230 nan 0.000 0.431 175 E N 3.180 123.450 120.200 0.118 0.000 2.249 175 E HA 0.635 4.985 4.350 -0.000 0.000 0.263 175 E C -1.259 175.399 176.600 0.097 0.000 0.950 175 E CA -0.953 55.509 56.400 0.103 0.000 0.827 175 E CB 2.706 32.433 29.700 0.045 0.000 1.220 175 E HN 0.236 nan 8.360 nan 0.000 0.411 176 V N 0.651 120.567 119.914 0.004 0.000 2.638 176 V HA 0.232 4.352 4.120 -0.000 0.000 0.306 176 V C -1.033 174.997 176.094 -0.107 0.000 1.052 176 V CA -0.970 61.258 62.300 -0.119 0.000 0.885 176 V CB 1.345 33.115 31.823 -0.088 0.000 0.999 176 V HN 0.661 nan 8.190 nan 0.000 0.424 177 H N 5.110 124.052 119.070 -0.214 0.000 2.556 177 H HA 0.563 5.119 4.556 -0.000 0.000 0.310 177 H C -0.986 174.258 175.328 -0.141 0.000 1.057 177 H CA -0.656 55.295 56.048 -0.161 0.000 1.264 177 H CB 1.119 30.796 29.762 -0.141 0.000 1.404 177 H HN 0.492 nan 8.280 nan 0.000 0.462 178 L N 9.144 130.008 121.223 -0.599 0.000 2.297 178 L HA 0.319 4.658 4.340 -0.000 0.000 0.277 178 L C -2.508 174.018 176.870 -0.573 0.000 1.040 178 L CA -1.703 52.879 54.840 -0.429 0.000 0.867 178 L CB 1.093 42.989 42.059 -0.271 0.000 1.244 178 L HN 0.652 nan 8.230 nan 0.000 0.433 179 P HA 0.140 nan 4.420 nan 0.000 0.284 179 P C -0.472 176.689 177.300 -0.231 0.000 1.253 179 P CA -0.075 62.783 63.100 -0.403 0.000 0.800 179 P CB 0.598 32.192 31.700 -0.177 0.000 0.961 180 H N -0.570 118.456 119.070 -0.073 0.000 2.591 180 H HA -0.181 4.375 4.556 -0.000 0.000 0.325 180 H C 0.326 175.624 175.328 -0.050 0.000 1.096 180 H CA 0.676 56.697 56.048 -0.045 0.000 1.108 180 H CB -1.985 27.764 29.762 -0.022 0.000 1.590 180 H HN 0.637 nan 8.280 nan 0.000 0.399 181 A N 2.143 124.966 122.820 0.006 0.000 2.548 181 A HA 0.194 4.514 4.320 -0.000 0.000 0.247 181 A C 0.822 178.419 177.584 0.022 0.000 1.067 181 A CA 0.078 52.110 52.037 -0.008 0.000 0.757 181 A CB 0.555 19.528 19.000 -0.045 0.000 0.996 181 A HN 0.406 nan 8.150 nan 0.000 0.504 182 Q N 2.022 121.838 119.800 0.026 0.000 2.297 182 Q HA 0.322 4.662 4.340 -0.000 0.000 0.269 182 Q C -1.938 174.078 176.000 0.026 0.000 1.051 182 Q CA -2.115 53.703 55.803 0.025 0.000 0.869 182 Q CB 0.755 29.509 28.738 0.026 0.000 1.346 182 Q HN 0.371 nan 8.270 nan 0.000 0.457 183 P HA -0.200 nan 4.420 nan 0.000 0.217 183 P C 0.637 177.953 177.300 0.027 0.000 1.148 183 P CA 1.612 64.724 63.100 0.020 0.000 0.834 183 P CB 0.436 32.144 31.700 0.013 0.000 0.783 184 Q N -1.086 118.731 119.800 0.028 0.000 2.291 184 Q HA -0.104 4.236 4.340 -0.000 0.000 0.205 184 Q C 1.446 177.474 176.000 0.047 0.000 0.970 184 Q CA 1.023 56.843 55.803 0.029 0.000 0.876 184 Q CB -0.682 28.071 28.738 0.025 0.000 0.935 184 Q HN 0.325 nan 8.270 nan 0.000 0.455 185 D N 0.262 120.703 120.400 0.067 0.000 2.363 185 D HA 0.061 4.701 4.640 -0.000 0.000 0.226 185 D C 0.103 176.514 176.300 0.184 0.000 1.020 185 D CA 0.316 54.391 54.000 0.125 0.000 0.892 185 D CB 0.061 40.922 40.800 0.102 0.000 0.900 185 D HN 0.227 nan 8.370 nan 0.000 0.531 186 A N 0.254 123.142 122.820 0.113 0.000 2.332 186 A HA 0.602 4.922 4.320 -0.000 0.000 0.258 186 A C 0.904 178.545 177.584 0.096 0.000 1.087 186 A CA 0.538 52.648 52.037 0.122 0.000 0.802 186 A CB 0.775 19.814 19.000 0.066 0.000 1.042 186 A HN 0.249 nan 8.150 nan 0.000 0.489 187 G N -1.492 107.375 108.800 0.110 0.000 2.361 187 G HA2 0.378 4.338 3.960 -0.000 0.000 0.331 187 G HA3 0.378 4.338 3.960 -0.000 0.000 0.331 187 G C -1.141 173.791 174.900 0.054 0.000 1.324 187 G CA -0.345 44.766 45.100 0.018 0.000 0.984 187 G HN 1.316 nan 8.290 nan 0.000 0.586 188 V N 0.861 120.757 119.914 -0.030 0.000 2.455 188 V HA 0.457 4.577 4.120 -0.000 0.000 0.273 188 V C -0.492 175.613 176.094 0.018 0.000 1.045 188 V CA -0.128 62.196 62.300 0.040 0.000 0.976 188 V CB 0.534 32.314 31.823 -0.072 0.000 0.993 188 V HN 0.527 nan 8.190 nan 0.000 0.475 189 Y N 2.681 123.103 120.300 0.204 0.000 2.328 189 Y HA 0.472 5.022 4.550 -0.000 0.000 0.337 189 Y C 0.873 177.021 175.900 0.412 0.000 1.008 189 Y CA -0.154 58.109 58.100 0.272 0.000 1.129 189 Y CB 1.721 40.357 38.460 0.294 0.000 1.185 189 Y HN 0.660 nan 8.280 nan 0.000 0.476 190 S N 1.817 117.741 115.700 0.373 0.000 2.687 190 S HA 0.925 5.395 4.470 -0.000 0.000 0.283 190 S C -0.653 173.821 174.600 -0.210 0.000 1.170 190 S CA -0.803 57.555 58.200 0.263 0.000 1.008 190 S CB 1.710 65.110 63.200 0.335 0.000 1.026 190 S HN 0.743 nan 8.310 nan 0.000 0.541 191 A N 1.341 123.874 122.820 -0.479 0.000 2.540 191 A HA 0.843 5.163 4.320 -0.000 0.000 0.297 191 A C -0.510 176.762 177.584 -0.521 0.000 1.056 191 A CA -1.032 50.486 52.037 -0.864 0.000 0.700 191 A CB 1.315 19.140 19.000 -1.959 0.000 1.280 191 A HN 1.029 nan 8.150 nan 0.000 0.398 192 R N 0.241 120.459 120.500 -0.470 0.000 2.832 192 R HA 0.417 4.757 4.340 -0.000 0.000 0.283 192 R C -1.788 174.464 176.300 -0.079 0.000 0.998 192 R CA -0.988 55.035 56.100 -0.128 0.000 0.843 192 R CB 0.333 30.628 30.300 -0.009 0.000 1.332 192 R HN 0.524 nan 8.270 nan 0.000 0.490 193 Y N 0.405 120.817 120.300 0.187 0.000 2.301 193 Y HA 0.292 4.842 4.550 -0.000 0.000 0.325 193 Y C 1.862 177.811 175.900 0.081 0.000 1.203 193 Y CA -0.314 57.871 58.100 0.143 0.000 1.255 193 Y CB 1.261 39.800 38.460 0.132 0.000 1.232 193 Y HN 0.542 nan 8.280 nan 0.000 0.501 194 I N 1.724 122.449 120.570 0.257 0.000 2.236 194 I HA -0.293 3.877 4.170 -0.000 0.000 0.249 194 I C 2.152 178.353 176.117 0.140 0.000 1.102 194 I CA 1.994 63.401 61.300 0.178 0.000 1.365 194 I CB -0.247 37.842 38.000 0.149 0.000 1.051 194 I HN 0.941 nan 8.210 nan 0.000 0.420 195 G N -0.155 108.720 108.800 0.125 0.000 2.776 195 G HA2 0.061 4.021 3.960 -0.000 0.000 0.209 195 G HA3 0.061 4.021 3.960 -0.000 0.000 0.209 195 G C 0.792 175.731 174.900 0.066 0.000 1.145 195 G CA 0.483 45.628 45.100 0.075 0.000 0.791 195 G HN 0.541 nan 8.290 nan 0.000 0.530 196 G N 0.065 108.921 108.800 0.094 0.000 2.531 196 G HA2 0.481 4.441 3.960 -0.000 0.000 0.253 196 G HA3 0.481 4.441 3.960 -0.000 0.000 0.253 196 G C -0.185 174.723 174.900 0.014 0.000 1.439 196 G CA -0.245 44.893 45.100 0.063 0.000 1.056 196 G HN 0.610 nan 8.290 nan 0.000 0.555 197 N N -2.921 115.773 118.700 -0.010 0.000 3.204 197 N HA 0.262 5.002 4.740 -0.000 0.000 0.285 197 N C 0.797 176.288 175.510 -0.030 0.000 1.536 197 N CA -0.788 52.215 53.050 -0.079 0.000 0.832 197 N CB 1.393 39.768 38.487 -0.188 0.000 1.645 197 N HN 0.376 nan 8.380 nan 0.000 0.586 198 L N -0.401 120.795 121.223 -0.045 0.000 2.012 198 L HA 0.047 4.387 4.340 -0.000 0.000 0.210 198 L C 1.326 178.423 176.870 0.379 0.000 1.073 198 L CA 1.484 56.429 54.840 0.176 0.000 0.748 198 L CB -0.384 41.801 42.059 0.209 0.000 0.891 198 L HN 0.624 nan 8.230 nan 0.000 0.431 199 F N -0.390 119.622 119.950 0.103 0.000 2.529 199 F HA -0.168 4.359 4.527 -0.000 0.000 0.297 199 F C 1.543 177.362 175.800 0.031 0.000 1.114 199 F CA 0.615 58.671 58.000 0.092 0.000 1.467 199 F CB -0.551 38.495 39.000 0.077 0.000 1.096 199 F HN 0.377 nan 8.300 nan 0.000 0.586 200 T N -4.282 110.374 114.554 0.169 0.000 3.288 200 T HA 0.234 4.584 4.350 -0.000 0.000 0.293 200 T C 0.145 174.812 174.700 -0.054 0.000 1.008 200 T CA -0.328 61.803 62.100 0.052 0.000 0.929 200 T CB 0.031 68.939 68.868 0.067 0.000 1.152 200 T HN -0.114 nan 8.240 nan 0.000 0.517 201 S N 1.486 117.072 115.700 -0.189 0.000 2.713 201 S HA 0.826 5.296 4.470 -0.000 0.000 0.283 201 S C 0.235 174.447 174.600 -0.647 0.000 1.161 201 S CA -0.714 57.272 58.200 -0.358 0.000 0.999 201 S CB 1.197 64.211 63.200 -0.310 0.000 1.039 201 S HN 0.751 nan 8.310 nan 0.000 0.548 202 A N 1.021 123.561 122.820 -0.466 0.000 2.312 202 A HA 0.768 5.088 4.320 -0.000 0.000 0.326 202 A C -0.991 176.478 177.584 -0.193 0.000 1.172 202 A CA -0.539 51.345 52.037 -0.255 0.000 0.821 202 A CB 0.084 19.141 19.000 0.095 0.000 1.166 202 A HN 0.670 nan 8.150 nan 0.000 0.493 203 F N 0.715 120.829 119.950 0.273 0.000 2.508 203 F HA 0.619 5.146 4.527 -0.000 0.000 0.325 203 F C 0.419 176.373 175.800 0.257 0.000 1.090 203 F CA -0.411 57.751 58.000 0.270 0.000 0.945 203 F CB 3.032 42.128 39.000 0.160 0.000 1.156 203 F HN 0.468 nan 8.300 nan 0.000 0.463 204 T N 1.937 116.779 114.554 0.481 0.000 2.971 204 T HA 0.347 4.697 4.350 -0.000 0.000 0.304 204 T C -1.070 173.773 174.700 0.239 0.000 1.038 204 T CA -0.809 61.424 62.100 0.222 0.000 1.007 204 T CB 1.974 70.813 68.868 -0.048 0.000 1.055 204 T HN 0.546 nan 8.240 nan 0.000 0.451 205 R N 3.120 123.709 120.500 0.148 0.000 2.295 205 R HA 0.576 4.915 4.340 -0.000 0.000 0.324 205 R C -0.856 175.504 176.300 0.100 0.000 0.968 205 R CA -0.720 55.465 56.100 0.142 0.000 0.837 205 R CB 0.517 30.880 30.300 0.104 0.000 1.133 205 R HN 0.533 nan 8.270 nan 0.000 0.450 206 L N 7.119 128.429 121.223 0.145 0.000 2.275 206 L HA 0.439 4.779 4.340 -0.000 0.000 0.288 206 L C -0.934 175.977 176.870 0.069 0.000 1.046 206 L CA -0.590 54.294 54.840 0.073 0.000 0.805 206 L CB 1.011 43.121 42.059 0.085 0.000 1.193 206 L HN 0.776 nan 8.230 nan 0.000 0.426 207 I N 5.828 126.415 120.570 0.029 0.000 2.354 207 I HA 0.259 4.429 4.170 -0.000 0.000 0.286 207 I C -0.429 175.694 176.117 0.010 0.000 1.007 207 I CA -0.638 60.678 61.300 0.027 0.000 1.167 207 I CB 1.870 39.884 38.000 0.023 0.000 1.320 207 I HN 0.222 nan 8.210 nan 0.000 0.458 208 V N 7.096 127.019 119.914 0.016 0.000 2.328 208 V HA 0.349 4.469 4.120 -0.000 0.000 0.278 208 V C 0.490 176.584 176.094 0.000 0.000 1.021 208 V CA -0.731 61.573 62.300 0.006 0.000 0.838 208 V CB 1.054 32.885 31.823 0.014 0.000 0.999 208 V HN 0.680 nan 8.190 nan 0.000 0.447 209 R N 3.780 124.277 120.500 -0.006 0.000 2.623 209 R HA 0.143 4.483 4.340 -0.000 0.000 0.271 209 R C 1.330 177.627 176.300 -0.005 0.000 1.043 209 R CA -0.317 55.775 56.100 -0.012 0.000 1.083 209 R CB 0.696 30.992 30.300 -0.007 0.000 0.974 209 R HN 0.729 nan 8.270 nan 0.000 0.436 210 R N 0.403 120.897 120.500 -0.009 0.000 2.316 210 R HA 0.051 4.391 4.340 -0.000 0.000 0.202 210 R C -0.017 176.284 176.300 0.001 0.000 1.029 210 R CA 0.277 56.375 56.100 -0.002 0.000 1.018 210 R CB -0.109 30.189 30.300 -0.003 0.000 0.888 210 R HN 0.329 nan 8.270 nan 0.000 0.471 211 c N 1.299 119.905 118.600 0.009 0.000 2.848 211 c HA 0.312 4.882 4.570 -0.000 0.000 0.317 211 c C 0.293 174.393 174.090 0.018 0.000 1.260 211 c CA -1.072 55.265 56.329 0.013 0.000 1.656 211 c CB 2.113 44.644 42.510 0.035 0.000 2.174 211 c HN 0.572 nan 8.230 nan 0.000 0.479 212 E N 1.559 121.767 120.200 0.015 0.000 2.405 212 E HA 0.535 4.885 4.350 -0.000 0.000 0.253 212 E C -0.009 176.609 176.600 0.032 0.000 1.257 212 E CA -0.419 55.992 56.400 0.018 0.000 0.960 212 E CB 0.459 30.166 29.700 0.012 0.000 1.077 212 E HN 0.796 nan 8.360 nan 0.000 0.512 213 A N 1.272 124.109 122.820 0.029 0.000 2.561 213 A HA -0.073 4.247 4.320 -0.000 0.000 0.234 213 A C 0.382 177.999 177.584 0.055 0.000 1.055 213 A CA 0.271 52.330 52.037 0.037 0.000 0.756 213 A CB -0.200 18.817 19.000 0.027 0.000 0.986 213 A HN 0.761 nan 8.150 nan 0.000 0.505 214 Q N -1.288 118.556 119.800 0.072 0.000 2.264 214 Q HA -0.185 4.155 4.340 -0.000 0.000 0.207 214 Q C -0.200 175.894 176.000 0.158 0.000 0.702 214 Q CA 2.032 57.898 55.803 0.105 0.000 1.411 214 Q CB -1.605 27.183 28.738 0.083 0.000 1.717 214 Q HN 0.813 nan 8.270 nan 0.000 0.683 215 K N -0.008 120.474 120.400 0.136 0.000 2.118 215 K HA 0.654 4.973 4.320 -0.000 0.000 0.254 215 K C 0.218 176.964 176.600 0.244 0.000 0.961 215 K CA -0.353 56.019 56.287 0.141 0.000 0.876 215 K CB 1.596 34.119 32.500 0.038 0.000 1.077 215 K HN 0.247 nan 8.250 nan 0.000 0.440 216 W N -0.717 120.583 121.300 -0.001 0.000 3.066 216 W HA 0.545 5.204 4.660 -0.000 0.000 0.330 216 W C -0.924 175.569 176.519 -0.043 0.000 1.253 216 W CA -0.256 57.095 57.345 0.009 0.000 1.187 216 W CB 0.747 30.250 29.460 0.072 0.000 1.434 216 W HN 0.862 nan 8.180 nan 0.000 0.572 217 G N 2.063 110.762 108.800 -0.168 0.000 2.406 217 G HA2 0.030 3.990 3.960 -0.000 0.000 0.680 217 G HA3 0.030 3.990 3.960 -0.000 0.000 0.680 217 G C -2.083 172.730 174.900 -0.144 0.000 1.338 217 G CA -0.387 44.482 45.100 -0.384 0.000 0.941 217 G HN 0.625 nan 8.290 nan 0.000 0.633 218 P HA -0.026 nan 4.420 nan 0.000 0.228 218 P C 0.582 177.829 177.300 -0.088 0.000 1.151 218 P CA 1.823 64.898 63.100 -0.042 0.000 0.770 218 P CB 0.123 31.817 31.700 -0.011 0.000 0.786 219 E N -2.526 117.568 120.200 -0.177 0.000 2.876 219 E HA 0.219 4.569 4.350 -0.000 0.000 0.208 219 E C 0.174 176.639 176.600 -0.226 0.000 0.981 219 E CA -0.455 55.842 56.400 -0.171 0.000 1.174 219 E CB -1.336 28.268 29.700 -0.160 0.000 1.047 219 E HN -0.050 nan 8.360 nan 0.000 0.477 220 c N 1.095 119.544 118.600 -0.253 0.000 4.185 220 c HA -0.223 4.346 4.570 -0.000 0.000 0.297 220 c C 1.427 175.319 174.090 -0.329 0.000 1.463 220 c CA 1.197 57.385 56.329 -0.234 0.000 2.032 220 c CB -2.604 39.840 42.510 -0.109 0.000 1.282 220 c HN 0.788 nan 8.230 nan 0.000 0.770 221 N N -0.043 118.305 118.700 -0.587 0.000 2.383 221 N HA -0.014 4.726 4.740 -0.000 0.000 0.192 221 N C 0.269 175.435 175.510 -0.573 0.000 1.141 221 N CA 0.151 52.868 53.050 -0.556 0.000 0.851 221 N CB 0.161 38.337 38.487 -0.518 0.000 0.976 221 N HN 0.717 nan 8.380 nan 0.000 0.465 222 H N 0.063 118.867 119.070 -0.444 0.000 2.797 222 H HA 0.270 4.825 4.556 -0.000 0.000 0.372 222 H C -0.853 174.382 175.328 -0.155 0.000 1.168 222 H CA -0.819 54.900 56.048 -0.549 0.000 1.163 222 H CB 1.525 30.386 29.762 -1.502 0.000 1.778 222 H HN -0.046 nan 8.280 nan 0.000 0.551 223 L N 1.498 122.837 121.223 0.194 0.000 2.260 223 L HA 0.279 4.619 4.340 -0.000 0.000 0.289 223 L C -0.015 177.184 176.870 0.548 0.000 1.057 223 L CA -0.218 54.806 54.840 0.306 0.000 0.811 223 L CB -0.048 42.119 42.059 0.181 0.000 1.184 223 L HN 0.644 nan 8.230 nan 0.000 0.429 224 c N 2.564 121.440 118.600 0.459 0.000 2.801 224 c HA 0.129 4.699 4.570 -0.000 0.000 0.376 224 c C 0.941 175.099 174.090 0.113 0.000 1.323 224 c CA -0.186 56.302 56.329 0.265 0.000 2.170 224 c CB -0.197 42.410 42.510 0.161 0.000 2.650 224 c HN 0.863 nan 8.230 nan 0.000 0.736 225 T N 2.200 116.744 114.554 -0.017 0.000 2.832 225 T HA 0.410 4.760 4.350 -0.000 0.000 0.296 225 T C 0.229 174.934 174.700 0.009 0.000 0.968 225 T CA -0.160 61.929 62.100 -0.017 0.000 1.107 225 T CB 0.785 69.611 68.868 -0.070 0.000 0.916 225 T HN 0.860 nan 8.240 nan 0.000 0.517 226 A N 2.938 125.772 122.820 0.023 0.000 2.473 226 A HA 0.320 4.640 4.320 -0.000 0.000 0.282 226 A C 0.554 178.148 177.584 0.016 0.000 1.163 226 A CA -0.646 51.406 52.037 0.025 0.000 0.827 226 A CB -0.840 18.177 19.000 0.028 0.000 1.098 226 A HN 0.989 nan 8.150 nan 0.000 0.515 227 c N 5.246 123.855 118.600 0.016 0.000 2.325 227 c HA 0.554 5.124 4.570 -0.000 0.000 0.347 227 c C 0.686 174.776 174.090 -0.000 0.000 1.263 227 c CA -0.979 55.357 56.329 0.013 0.000 1.806 227 c CB -0.718 41.807 42.510 0.025 0.000 2.405 227 c HN 0.787 nan 8.230 nan 0.000 0.537 228 M N 2.531 122.122 119.600 -0.014 0.000 2.527 228 M HA 0.348 4.828 4.480 -0.000 0.000 0.283 228 M C 0.882 177.117 176.300 -0.109 0.000 1.188 228 M CA -0.191 55.084 55.300 -0.042 0.000 0.941 228 M CB -0.020 32.565 32.600 -0.025 0.000 1.498 228 M HN 0.704 nan 8.290 nan 0.000 0.510 229 N N 1.149 119.745 118.700 -0.173 0.000 2.708 229 N HA -0.212 4.528 4.740 -0.000 0.000 0.249 229 N C -0.504 174.876 175.510 -0.218 0.000 1.097 229 N CA 0.960 53.807 53.050 -0.338 0.000 0.710 229 N CB -1.288 36.733 38.487 -0.777 0.000 1.032 229 N HN 0.714 nan 8.380 nan 0.000 0.551 230 N N -2.869 115.767 118.700 -0.106 0.000 2.850 230 N HA -0.135 4.605 4.740 -0.000 0.000 0.249 230 N C 0.561 176.111 175.510 0.066 0.000 1.060 230 N CA 1.400 54.431 53.050 -0.031 0.000 0.825 230 N CB -1.368 37.096 38.487 -0.038 0.000 1.132 230 N HN 0.675 nan 8.380 nan 0.000 0.564 231 G N -0.348 108.499 108.800 0.078 0.000 2.606 231 G HA2 0.503 4.463 3.960 -0.000 0.000 0.252 231 G HA3 0.503 4.463 3.960 -0.000 0.000 0.252 231 G C 0.347 175.330 174.900 0.138 0.000 1.206 231 G CA 0.144 45.349 45.100 0.176 0.000 0.861 231 G HN 0.581 nan 8.290 nan 0.000 0.561 232 V N -1.923 118.108 119.914 0.194 0.000 2.960 232 V HA 0.702 4.822 4.120 -0.000 0.000 0.315 232 V C -0.015 176.142 176.094 0.105 0.000 1.087 232 V CA -1.467 60.906 62.300 0.121 0.000 0.982 232 V CB 1.175 33.065 31.823 0.112 0.000 1.039 232 V HN 0.902 nan 8.190 nan 0.000 0.437 233 c N 3.099 121.740 118.600 0.068 0.000 2.369 233 c HA 0.582 5.152 4.570 -0.000 0.000 0.358 233 c C 0.259 174.386 174.090 0.061 0.000 1.274 233 c CA -0.146 56.211 56.329 0.046 0.000 1.935 233 c CB -0.885 41.644 42.510 0.033 0.000 2.431 233 c HN 1.156 nan 8.230 nan 0.000 0.545 234 H N 3.208 122.255 119.070 -0.038 0.000 2.819 234 H HA 0.221 4.777 4.556 -0.000 0.000 0.303 234 H C 1.073 176.399 175.328 -0.003 0.000 1.058 234 H CA 0.311 56.349 56.048 -0.016 0.000 1.471 234 H CB 0.929 30.666 29.762 -0.043 0.000 1.480 234 H HN 0.784 nan 8.280 nan 0.000 0.517 235 E N 2.436 122.546 120.200 -0.150 0.000 2.267 235 E HA -0.152 4.198 4.350 -0.000 0.000 0.197 235 E C 0.520 177.315 176.600 0.324 0.000 0.998 235 E CA 1.270 57.729 56.400 0.098 0.000 0.830 235 E CB 0.215 29.921 29.700 0.008 0.000 0.751 235 E HN 0.678 nan 8.360 nan 0.000 0.491 236 D N -1.075 119.538 120.400 0.355 0.000 2.349 236 D HA 0.033 4.673 4.640 -0.000 0.000 0.214 236 D C 1.202 177.743 176.300 0.401 0.000 1.063 236 D CA 1.038 55.312 54.000 0.456 0.000 0.847 236 D CB 0.682 41.719 40.800 0.395 0.000 0.933 236 D HN 0.343 nan 8.370 nan 0.000 0.513 237 T N -5.327 109.298 114.554 0.119 0.000 3.100 237 T HA 0.307 4.656 4.350 -0.000 0.000 0.255 237 T C 1.690 175.691 174.700 -1.166 0.000 0.893 237 T CA 0.703 62.645 62.100 -0.263 0.000 0.882 237 T CB 0.940 69.692 68.868 -0.193 0.000 1.266 237 T HN 0.064 nan 8.240 nan 0.000 0.528 238 G N 1.420 109.387 108.800 -1.390 0.000 2.199 238 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.254 238 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.254 238 G C -0.107 174.385 174.900 -0.679 0.000 0.982 238 G CA 0.267 44.421 45.100 -1.576 0.000 0.632 238 G HN 0.649 nan 8.290 nan 0.000 0.529 239 E N 0.033 119.965 120.200 -0.447 0.000 2.319 239 E HA 0.511 4.861 4.350 -0.000 0.000 0.268 239 E C 0.630 177.165 176.600 -0.108 0.000 1.050 239 E CA -0.490 55.771 56.400 -0.232 0.000 0.878 239 E CB 1.006 30.592 29.700 -0.190 0.000 1.066 239 E HN 0.315 nan 8.360 nan 0.000 0.406 240 c N 2.281 120.846 118.600 -0.059 0.000 2.466 240 c HA 0.452 5.022 4.570 -0.000 0.000 0.379 240 c C 0.829 174.932 174.090 0.021 0.000 1.251 240 c CA -0.581 55.749 56.329 0.002 0.000 2.263 240 c CB -0.378 42.139 42.510 0.013 0.000 2.511 240 c HN 0.478 nan 8.230 nan 0.000 0.573 241 I N 2.345 122.956 120.570 0.068 0.000 2.359 241 I HA 0.237 4.407 4.170 -0.000 0.000 0.284 241 I C -0.114 176.034 176.117 0.051 0.000 1.018 241 I CA 0.063 61.392 61.300 0.047 0.000 1.173 241 I CB 0.544 38.601 38.000 0.095 0.000 1.326 241 I HN 0.687 nan 8.210 nan 0.000 0.462 242 c N 7.509 126.114 118.600 0.007 0.000 2.459 242 c HA 0.400 4.970 4.570 -0.000 0.000 0.374 242 c C -1.670 172.405 174.090 -0.025 0.000 1.241 242 c CA -1.040 55.323 56.329 0.057 0.000 2.352 242 c CB 0.296 42.873 42.510 0.111 0.000 2.490 242 c HN 0.510 nan 8.230 nan 0.000 0.583 243 P HA 0.234 nan 4.420 nan 0.000 0.274 243 P C -2.802 174.574 177.300 0.126 0.000 1.237 243 P CA -1.297 61.905 63.100 0.170 0.000 0.793 243 P CB -0.366 31.558 31.700 0.373 0.000 0.977 244 P HA 0.118 nan 4.420 nan 0.000 0.262 244 P C 0.922 178.222 177.300 0.000 0.000 1.199 244 P CA 1.352 64.378 63.100 -0.124 0.000 0.763 244 P CB -0.245 31.096 31.700 -0.598 0.000 0.790 245 G N 1.549 110.326 108.800 -0.038 0.000 2.255 245 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.196 245 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.196 245 G C -0.203 174.402 174.900 -0.492 0.000 0.998 245 G CA -0.576 44.394 45.100 -0.217 0.000 0.656 245 G HN 0.404 nan 8.290 nan 0.000 0.490 246 F N 0.567 120.550 119.950 0.055 0.000 2.631 246 F HA 0.911 5.438 4.527 -0.000 0.000 0.328 246 F C 0.515 176.336 175.800 0.035 0.000 1.067 246 F CA -0.477 57.559 58.000 0.060 0.000 0.969 246 F CB 1.979 41.032 39.000 0.089 0.000 1.332 246 F HN 0.331 nan 8.300 nan 0.000 0.490 247 M N 0.148 119.886 119.600 0.231 0.000 3.419 247 M HA 0.871 5.351 4.480 -0.000 0.000 0.287 247 M C -0.667 175.702 176.300 0.115 0.000 1.333 247 M CA -0.570 54.806 55.300 0.127 0.000 0.843 247 M CB 2.076 34.718 32.600 0.069 0.000 1.686 247 M HN 1.163 nan 8.290 nan 0.000 0.491 248 G N 0.492 109.335 108.800 0.072 0.000 2.629 248 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.686 248 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.686 248 G C -0.327 174.596 174.900 0.040 0.000 1.232 248 G CA -0.181 44.953 45.100 0.057 0.000 0.803 248 G HN 1.046 nan 8.290 nan 0.000 0.638 249 R N -0.322 120.189 120.500 0.019 0.000 2.154 249 R HA -0.154 4.186 4.340 -0.000 0.000 0.248 249 R C 2.340 178.643 176.300 0.004 0.000 1.155 249 R CA 2.216 58.316 56.100 -0.001 0.000 0.979 249 R CB -0.297 29.994 30.300 -0.015 0.000 0.869 249 R HN 0.955 nan 8.270 nan 0.000 0.452 250 T N -4.254 110.312 114.554 0.021 0.000 3.252 250 T HA 0.176 4.526 4.350 -0.000 0.000 0.286 250 T C 0.543 175.263 174.700 0.034 0.000 1.013 250 T CA -0.294 61.819 62.100 0.021 0.000 0.914 250 T CB -0.285 68.595 68.868 0.020 0.000 1.131 250 T HN 0.292 nan 8.240 nan 0.000 0.529 251 c N 1.589 120.224 118.600 0.058 0.000 4.356 251 c HA -0.147 4.423 4.570 -0.000 0.000 0.296 251 c C 1.468 175.614 174.090 0.093 0.000 1.424 251 c CA 1.004 57.386 56.329 0.088 0.000 2.000 251 c CB -2.828 39.707 42.510 0.042 0.000 1.262 251 c HN 0.769 nan 8.230 nan 0.000 0.789 252 E N -0.216 120.056 120.200 0.120 0.000 2.452 252 E HA -0.001 4.348 4.350 -0.000 0.000 0.197 252 E C 0.904 177.652 176.600 0.246 0.000 1.022 252 E CA -0.025 56.461 56.400 0.143 0.000 0.890 252 E CB 0.271 30.029 29.700 0.097 0.000 0.918 252 E HN 0.484 nan 8.360 nan 0.000 0.496 253 K N 2.145 122.688 120.400 0.238 0.000 2.349 253 K HA 0.209 4.529 4.320 -0.000 0.000 0.289 253 K C -0.756 175.986 176.600 0.236 0.000 1.064 253 K CA -0.120 56.286 56.287 0.198 0.000 0.947 253 K CB 0.635 33.208 32.500 0.122 0.000 1.007 253 K HN -0.041 nan 8.250 nan 0.000 0.478 254 A N 4.564 127.482 122.820 0.163 0.000 2.409 254 A HA 0.252 4.571 4.320 -0.000 0.000 0.267 254 A C 0.101 177.596 177.584 -0.147 0.000 1.127 254 A CA -0.679 51.311 52.037 -0.079 0.000 0.795 254 A CB -0.111 18.877 19.000 -0.019 0.000 1.061 254 A HN 0.894 nan 8.150 nan 0.000 0.502 255 c N 1.284 119.720 118.600 -0.272 0.000 2.480 255 c HA 0.286 4.856 4.570 -0.000 0.000 0.344 255 c C 1.148 175.121 174.090 -0.194 0.000 1.380 255 c CA -0.522 55.696 56.329 -0.184 0.000 2.386 255 c CB -0.092 42.311 42.510 -0.179 0.000 2.210 255 c HN 0.886 nan 8.230 nan 0.000 0.640 256 E N 0.325 120.427 120.200 -0.164 0.000 2.398 256 E HA 0.060 4.409 4.350 -0.000 0.000 0.263 256 E C 0.884 177.314 176.600 -0.283 0.000 1.046 256 E CA -0.188 56.100 56.400 -0.187 0.000 0.908 256 E CB 0.394 30.008 29.700 -0.143 0.000 0.963 256 E HN 0.435 nan 8.360 nan 0.000 0.431 257 L N 2.092 123.071 121.223 -0.407 0.000 2.071 257 L HA -0.284 4.056 4.340 -0.000 0.000 0.244 257 L C 1.125 177.543 176.870 -0.753 0.000 1.107 257 L CA 1.482 55.870 54.840 -0.753 0.000 0.838 257 L CB -0.532 40.873 42.059 -1.090 0.000 0.936 257 L HN 0.653 nan 8.230 nan 0.000 0.445 258 H N -0.016 118.919 119.070 -0.225 0.000 2.588 258 H HA 0.253 4.809 4.556 -0.000 0.000 0.223 258 H C 0.118 175.445 175.328 -0.003 0.000 1.804 258 H CA 0.250 56.232 56.048 -0.110 0.000 1.269 258 H CB -0.575 29.142 29.762 -0.076 0.000 1.670 258 H HN 0.351 nan 8.280 nan 0.000 0.539 259 T N -1.307 113.273 114.554 0.044 0.000 2.858 259 T HA 0.736 5.086 4.350 -0.000 0.000 0.285 259 T C -0.374 174.419 174.700 0.155 0.000 1.052 259 T CA -0.814 61.309 62.100 0.037 0.000 1.009 259 T CB 2.451 71.259 68.868 -0.100 0.000 1.241 259 T HN 0.260 nan 8.240 nan 0.000 0.542 260 F N -2.855 117.052 119.950 -0.072 0.000 2.877 260 F HA 0.799 5.326 4.527 -0.000 0.000 0.319 260 F C -0.151 175.630 175.800 -0.031 0.000 1.174 260 F CA -0.419 57.501 58.000 -0.134 0.000 0.903 260 F CB 0.822 39.640 39.000 -0.304 0.000 1.357 260 F HN 1.314 nan 8.300 nan 0.000 0.472 261 G N 1.091 110.000 108.800 0.182 0.000 2.788 261 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.686 261 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.686 261 G C -0.043 174.890 174.900 0.054 0.000 1.147 261 G CA -0.434 44.730 45.100 0.106 0.000 0.755 261 G HN 1.028 nan 8.290 nan 0.000 0.634 262 R N 0.165 120.701 120.500 0.060 0.000 2.153 262 R HA -0.207 4.133 4.340 -0.000 0.000 0.252 262 R C 2.693 179.010 176.300 0.028 0.000 1.158 262 R CA 2.407 58.528 56.100 0.036 0.000 0.975 262 R CB -0.308 30.008 30.300 0.027 0.000 0.871 262 R HN 0.993 nan 8.270 nan 0.000 0.450 263 T N -4.193 110.375 114.554 0.025 0.000 3.092 263 T HA 0.102 4.452 4.350 -0.000 0.000 0.258 263 T C 0.781 175.476 174.700 -0.009 0.000 1.031 263 T CA -0.056 62.053 62.100 0.015 0.000 0.925 263 T CB -0.260 68.623 68.868 0.025 0.000 1.036 263 T HN 0.308 nan 8.240 nan 0.000 0.544 264 c N 1.619 120.203 118.600 -0.026 0.000 4.365 264 c HA -0.121 4.449 4.570 -0.000 0.000 0.299 264 c C 1.229 175.257 174.090 -0.103 0.000 1.409 264 c CA 0.901 57.188 56.329 -0.069 0.000 2.007 264 c CB -2.437 40.036 42.510 -0.062 0.000 1.264 264 c HN 0.670 nan 8.230 nan 0.000 0.777 265 K N -0.290 120.048 120.400 -0.104 0.000 2.437 265 K HA 0.108 4.428 4.320 -0.000 0.000 0.205 265 K C 0.587 177.078 176.600 -0.181 0.000 1.026 265 K CA 0.053 56.278 56.287 -0.104 0.000 1.153 265 K CB 0.398 32.872 32.500 -0.043 0.000 0.863 265 K HN 0.517 nan 8.250 nan 0.000 0.502 266 E N 1.072 121.062 120.200 -0.351 0.000 2.202 266 E HA 0.339 4.689 4.350 -0.000 0.000 0.272 266 E C -0.561 175.691 176.600 -0.579 0.000 0.951 266 E CA -0.479 55.563 56.400 -0.596 0.000 0.813 266 E CB 1.721 30.679 29.700 -1.237 0.000 1.151 266 E HN 0.032 nan 8.360 nan 0.000 0.398 267 R N 0.607 120.909 120.500 -0.330 0.000 2.561 267 R HA 0.410 4.750 4.340 -0.000 0.000 0.297 267 R C -0.803 175.621 176.300 0.207 0.000 0.969 267 R CA -0.656 55.410 56.100 -0.057 0.000 0.879 267 R CB 1.474 31.764 30.300 -0.016 0.000 1.178 267 R HN 0.446 nan 8.270 nan 0.000 0.445 268 c N 2.962 121.769 118.600 0.345 0.000 2.657 268 c HA 0.053 4.623 4.570 -0.000 0.000 0.404 268 c C 1.138 175.301 174.090 0.122 0.000 1.369 268 c CA -0.262 56.219 56.329 0.253 0.000 1.665 268 c CB -0.946 41.473 42.510 -0.150 0.000 2.453 268 c HN 0.783 nan 8.230 nan 0.000 0.599 269 S N 3.529 119.386 115.700 0.262 0.000 2.510 269 S HA 0.616 5.086 4.470 -0.000 0.000 0.279 269 S C 0.093 174.764 174.600 0.118 0.000 1.284 269 S CA 0.211 58.516 58.200 0.176 0.000 1.059 269 S CB 0.631 63.947 63.200 0.194 0.000 0.901 269 S HN 1.766 nan 8.310 nan 0.000 0.491 270 G N 2.444 111.269 108.800 0.042 0.000 2.326 270 G HA2 0.076 4.036 3.960 -0.000 0.000 0.478 270 G HA3 0.076 4.036 3.960 -0.000 0.000 0.478 270 G C -0.144 174.735 174.900 -0.035 0.000 1.551 270 G CA -0.828 44.275 45.100 0.006 0.000 0.946 270 G HN 0.473 nan 8.290 nan 0.000 0.671 271 Q N -0.072 119.714 119.800 -0.024 0.000 2.472 271 Q HA 0.028 4.368 4.340 -0.000 0.000 0.208 271 Q C 1.194 177.165 176.000 -0.049 0.000 0.958 271 Q CA 0.736 56.526 55.803 -0.022 0.000 0.932 271 Q CB 0.461 29.200 28.738 0.002 0.000 1.007 271 Q HN 0.651 nan 8.270 nan 0.000 0.508 272 E N 0.096 120.247 120.200 -0.081 0.000 2.451 272 E HA 0.194 4.544 4.350 -0.000 0.000 0.194 272 E C 0.701 177.193 176.600 -0.180 0.000 1.027 272 E CA 0.225 56.580 56.400 -0.075 0.000 0.914 272 E CB 0.513 30.179 29.700 -0.056 0.000 1.054 272 E HN 0.352 nan 8.360 nan 0.000 0.461 273 G N 0.680 109.220 108.800 -0.433 0.000 2.512 273 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.254 273 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.254 273 G C 0.677 175.346 174.900 -0.386 0.000 1.199 273 G CA -0.014 44.635 45.100 -0.752 0.000 0.941 273 G HN 0.335 nan 8.290 nan 0.000 0.569 274 c N 1.688 120.190 118.600 -0.164 0.000 2.589 274 c HA 0.397 4.966 4.570 -0.000 0.000 0.307 274 c C 2.306 176.028 174.090 -0.613 0.000 1.328 274 c CA 0.603 56.704 56.329 -0.379 0.000 1.742 274 c CB -1.140 41.452 42.510 0.137 0.000 2.037 274 c HN 0.764 nan 8.230 nan 0.000 0.592 275 K N 2.321 122.185 120.400 -0.893 0.000 1.990 275 K HA -0.235 4.085 4.320 -0.000 0.000 0.225 275 K C 1.652 177.796 176.600 -0.761 0.000 1.053 275 K CA 2.237 57.632 56.287 -1.488 0.000 0.982 275 K CB -0.306 31.548 32.500 -1.076 0.000 0.734 275 K HN 0.497 nan 8.250 nan 0.000 0.448 276 S N -0.020 115.480 115.700 -0.334 0.000 2.667 276 S HA 0.168 4.638 4.470 -0.000 0.000 0.251 276 S C -0.563 174.053 174.600 0.026 0.000 1.075 276 S CA -0.488 57.630 58.200 -0.137 0.000 1.130 276 S CB -0.329 62.817 63.200 -0.090 0.000 0.795 276 S HN 0.309 nan 8.310 nan 0.000 0.462 277 Y N 0.078 120.185 120.300 -0.321 0.000 2.377 277 Y HA 0.546 5.096 4.550 -0.000 0.000 0.339 277 Y C -0.193 175.450 175.900 -0.428 0.000 1.011 277 Y CA -1.297 56.534 58.100 -0.448 0.000 1.093 277 Y CB 1.943 40.019 38.460 -0.639 0.000 1.201 277 Y HN -0.030 nan 8.280 nan 0.000 0.455 278 V N 4.882 124.591 119.914 -0.341 0.000 2.409 278 V HA 0.322 4.442 4.120 -0.000 0.000 0.291 278 V C -0.830 175.094 176.094 -0.283 0.000 1.020 278 V CA -0.922 61.282 62.300 -0.159 0.000 0.848 278 V CB 0.857 32.641 31.823 -0.065 0.000 0.990 278 V HN 0.483 nan 8.190 nan 0.000 0.430 279 F N 3.086 123.062 119.950 0.044 0.000 2.421 279 F HA 0.608 5.135 4.527 -0.000 0.000 0.337 279 F C 0.376 176.242 175.800 0.110 0.000 1.105 279 F CA -0.622 57.393 58.000 0.025 0.000 1.049 279 F CB 1.296 40.287 39.000 -0.016 0.000 1.139 279 F HN 0.330 nan 8.300 nan 0.000 0.479 280 c N 4.723 123.479 118.600 0.261 0.000 2.369 280 c HA 0.763 5.333 4.570 -0.000 0.000 0.322 280 c C 0.082 174.309 174.090 0.229 0.000 1.258 280 c CA -1.071 55.411 56.329 0.255 0.000 1.487 280 c CB 0.376 42.996 42.510 0.184 0.000 2.165 280 c HN 0.697 nan 8.230 nan 0.000 0.483 281 L N 2.517 123.883 121.223 0.239 0.000 2.299 281 L HA 0.574 4.913 4.340 -0.000 0.000 0.268 281 L C -2.356 174.624 176.870 0.184 0.000 1.012 281 L CA -2.220 52.701 54.840 0.135 0.000 0.816 281 L CB 0.680 42.679 42.059 -0.100 0.000 1.355 281 L HN 0.243 nan 8.230 nan 0.000 0.457 282 P HA -0.079 nan 4.420 nan 0.000 0.263 282 P C -0.114 177.314 177.300 0.213 0.000 1.175 282 P CA 0.449 63.651 63.100 0.171 0.000 0.761 282 P CB 0.426 32.208 31.700 0.136 0.000 0.794 283 D N 5.606 126.120 120.400 0.190 0.000 3.000 283 D HA -0.245 4.395 4.640 -0.000 0.000 0.196 283 D C -0.574 175.814 176.300 0.147 0.000 1.110 283 D CA 2.521 56.619 54.000 0.163 0.000 0.873 283 D CB -1.156 39.718 40.800 0.123 0.000 0.948 283 D HN 0.416 nan 8.370 nan 0.000 0.496 284 P HA -0.176 nan 4.420 nan 0.000 0.224 284 P C 1.092 178.473 177.300 0.135 0.000 1.142 284 P CA 1.267 64.418 63.100 0.084 0.000 0.778 284 P CB -0.193 31.524 31.700 0.028 0.000 0.764 285 Y N 0.561 120.905 120.300 0.074 0.000 2.353 285 Y HA 0.287 4.837 4.550 -0.000 0.000 0.294 285 Y C 1.689 177.635 175.900 0.077 0.000 1.135 285 Y CA 1.653 59.798 58.100 0.076 0.000 1.176 285 Y CB -0.067 38.450 38.460 0.094 0.000 1.124 285 Y HN 0.175 nan 8.280 nan 0.000 0.537 286 G N -0.443 108.519 108.800 0.269 0.000 2.488 286 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.237 286 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.237 286 G C -0.814 174.263 174.900 0.295 0.000 1.209 286 G CA -0.545 44.660 45.100 0.174 0.000 0.929 286 G HN 0.547 nan 8.290 nan 0.000 0.578 287 c N 0.178 118.884 118.600 0.177 0.000 2.630 287 c HA 1.068 5.638 4.570 -0.000 0.000 0.346 287 c C 0.663 174.875 174.090 0.204 0.000 1.245 287 c CA 0.554 57.027 56.329 0.240 0.000 1.804 287 c CB 1.097 43.705 42.510 0.164 0.000 2.279 287 c HN 2.149 nan 8.230 nan 0.000 0.498 288 S N -0.684 115.186 115.700 0.284 0.000 2.663 288 S HA 0.471 4.941 4.470 -0.000 0.000 0.264 288 S C -0.991 173.806 174.600 0.329 0.000 1.112 288 S CA -0.686 57.665 58.200 0.252 0.000 0.823 288 S CB -0.332 63.021 63.200 0.255 0.000 1.111 288 S HN 0.852 nan 8.310 nan 0.000 0.476 289 c N 1.626 120.410 118.600 0.306 0.000 2.396 289 c HA 0.920 5.490 4.570 -0.000 0.000 0.359 289 c C 1.595 175.948 174.090 0.438 0.000 1.307 289 c CA 0.246 56.804 56.329 0.382 0.000 2.392 289 c CB 0.307 43.027 42.510 0.351 0.000 2.245 289 c HN 1.144 nan 8.230 nan 0.000 0.615 290 A N 0.547 123.671 122.820 0.506 0.000 2.272 290 A HA 0.504 4.824 4.320 -0.000 0.000 0.275 290 A C 0.437 178.272 177.584 0.419 0.000 1.096 290 A CA 0.057 52.284 52.037 0.316 0.000 0.822 290 A CB -0.166 18.991 19.000 0.262 0.000 1.088 290 A HN 0.895 nan 8.150 nan 0.000 0.495 291 T N -0.547 114.225 114.554 0.363 0.000 2.933 291 T HA 0.386 4.736 4.350 -0.000 0.000 0.306 291 T C 1.396 176.341 174.700 0.409 0.000 1.045 291 T CA 1.907 64.253 62.100 0.410 0.000 1.143 291 T CB -0.279 68.845 68.868 0.428 0.000 1.003 291 T HN 2.338 nan 8.240 nan 0.000 0.540 292 G N 3.228 112.120 108.800 0.154 0.000 2.175 292 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.244 292 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.244 292 G C -0.159 174.442 174.900 -0.499 0.000 0.982 292 G CA 0.112 45.006 45.100 -0.343 0.000 0.641 292 G HN 0.722 nan 8.290 nan 0.000 0.527 293 W N 0.255 121.622 121.300 0.112 0.000 3.031 293 W HA 0.702 5.362 4.660 -0.000 0.000 0.337 293 W C 0.232 176.797 176.519 0.077 0.000 1.187 293 W CA -0.680 56.721 57.345 0.092 0.000 1.166 293 W CB 1.533 31.084 29.460 0.151 0.000 1.437 293 W HN 0.338 nan 8.180 nan 0.000 0.551 294 K N 1.003 121.611 120.400 0.346 0.000 2.533 294 K HA 0.897 5.217 4.320 -0.000 0.000 0.284 294 K C -0.094 176.596 176.600 0.150 0.000 1.025 294 K CA -0.703 55.700 56.287 0.193 0.000 0.900 294 K CB 1.642 34.204 32.500 0.103 0.000 1.519 294 K HN 1.053 nan 8.250 nan 0.000 0.432 295 G N 0.151 109.009 108.800 0.098 0.000 2.712 295 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.686 295 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.686 295 G C -1.104 173.833 174.900 0.062 0.000 1.321 295 G CA -0.653 44.488 45.100 0.068 0.000 0.813 295 G HN 0.410 nan 8.290 nan 0.000 0.599 296 L N 1.973 123.222 121.223 0.043 0.000 2.485 296 L HA 0.306 4.646 4.340 -0.000 0.000 0.275 296 L C 1.745 178.630 176.870 0.025 0.000 1.207 296 L CA 1.664 56.525 54.840 0.035 0.000 0.855 296 L CB 0.687 42.763 42.059 0.029 0.000 1.114 296 L HN 0.917 nan 8.230 nan 0.000 0.485 297 Q N 0.813 120.619 119.800 0.010 0.000 2.788 297 Q HA -0.257 4.083 4.340 -0.000 0.000 0.157 297 Q C 1.041 177.027 176.000 -0.024 0.000 0.731 297 Q CA 1.119 56.913 55.803 -0.017 0.000 1.180 297 Q CB -2.006 26.722 28.738 -0.016 0.000 1.009 297 Q HN 0.889 nan 8.270 nan 0.000 1.074 298 c N 1.075 119.690 118.600 0.026 0.000 4.259 298 c HA -0.206 4.364 4.570 -0.000 0.000 0.294 298 c C 1.376 175.449 174.090 -0.028 0.000 1.459 298 c CA 1.171 57.534 56.329 0.057 0.000 2.016 298 c CB -2.480 40.057 42.510 0.045 0.000 1.274 298 c HN 0.748 nan 8.230 nan 0.000 0.792 299 N N 0.536 119.227 118.700 -0.016 0.000 2.398 299 N HA 0.060 4.800 4.740 -0.000 0.000 0.188 299 N C -0.029 175.579 175.510 0.163 0.000 1.122 299 N CA 0.356 53.371 53.050 -0.058 0.000 0.866 299 N CB -0.044 38.414 38.487 -0.048 0.000 0.970 299 N HN 0.724 nan 8.380 nan 0.000 0.462 300 E N 0.221 120.579 120.200 0.265 0.000 2.174 300 E HA 0.560 4.910 4.350 -0.000 0.000 0.282 300 E C -0.387 176.423 176.600 0.349 0.000 0.992 300 E CA -0.804 55.750 56.400 0.258 0.000 0.803 300 E CB 1.555 31.326 29.700 0.119 0.000 1.090 300 E HN 0.320 nan 8.360 nan 0.000 0.396 301 A N 2.324 125.241 122.820 0.162 0.000 2.267 301 A HA 0.320 4.640 4.320 -0.000 0.000 0.271 301 A C -0.219 177.200 177.584 -0.275 0.000 1.131 301 A CA -0.539 51.367 52.037 -0.217 0.000 0.818 301 A CB 0.462 19.289 19.000 -0.289 0.000 1.118 301 A HN 0.778 nan 8.150 nan 0.000 0.501 302 c N -0.669 117.719 118.600 -0.354 0.000 2.366 302 c HA 0.598 5.168 4.570 -0.000 0.000 0.345 302 c C 0.288 174.219 174.090 -0.266 0.000 1.209 302 c CA -0.529 55.631 56.329 -0.282 0.000 2.050 302 c CB -0.276 42.139 42.510 -0.157 0.000 2.359 302 c HN 0.891 nan 8.230 nan 0.000 0.527 303 H N 0.844 119.871 119.070 -0.072 0.000 2.615 303 H HA 0.266 4.822 4.556 -0.000 0.000 0.363 303 H C -2.167 173.251 175.328 0.150 0.000 1.148 303 H CA -0.525 55.518 56.048 -0.008 0.000 1.401 303 H CB -0.137 29.581 29.762 -0.073 0.000 1.461 303 H HN 0.445 nan 8.280 nan 0.000 0.588 304 P HA -0.050 nan 4.420 nan 0.000 0.261 304 P C 0.763 178.235 177.300 0.288 0.000 1.173 304 P CA 1.641 64.861 63.100 0.200 0.000 0.760 304 P CB 0.451 32.227 31.700 0.126 0.000 0.783 305 G N 0.886 109.763 108.800 0.129 0.000 2.176 305 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.232 305 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.232 305 G C -0.213 174.448 174.900 -0.399 0.000 0.986 305 G CA -0.606 44.413 45.100 -0.134 0.000 0.643 305 G HN 0.393 nan 8.290 nan 0.000 0.522 306 F N -0.720 119.278 119.950 0.079 0.000 2.593 306 F HA 0.725 5.252 4.527 -0.000 0.000 0.320 306 F C 0.703 176.583 175.800 0.133 0.000 1.060 306 F CA -0.491 57.554 58.000 0.075 0.000 0.940 306 F CB 1.524 40.535 39.000 0.019 0.000 1.268 306 F HN 0.171 nan 8.300 nan 0.000 0.475 307 Y N -1.549 118.837 120.300 0.143 0.000 2.506 307 Y HA 0.540 5.090 4.550 -0.000 0.000 0.290 307 Y C 0.696 176.688 175.900 0.153 0.000 1.003 307 Y CA -0.353 57.800 58.100 0.087 0.000 1.082 307 Y CB -0.516 37.993 38.460 0.082 0.000 1.399 307 Y HN 0.565 nan 8.280 nan 0.000 0.586 308 G N 2.796 111.408 108.800 -0.312 0.000 2.485 308 G HA2 0.374 4.334 3.960 -0.000 0.000 0.260 308 G HA3 0.374 4.334 3.960 -0.000 0.000 0.260 308 G C -2.458 172.521 174.900 0.132 0.000 1.459 308 G CA -1.318 43.751 45.100 -0.053 0.000 1.060 308 G HN 0.079 nan 8.290 nan 0.000 0.546 309 P HA 0.153 nan 4.420 nan 0.000 0.271 309 P C -0.857 176.528 177.300 0.142 0.000 1.216 309 P CA 0.212 63.441 63.100 0.215 0.000 0.771 309 P CB 0.950 32.801 31.700 0.253 0.000 0.864 310 D N 0.623 121.125 120.400 0.170 0.000 2.983 310 D HA -0.176 4.464 4.640 -0.000 0.000 0.225 310 D C -0.107 176.236 176.300 0.072 0.000 1.174 310 D CA 0.579 54.652 54.000 0.121 0.000 0.831 310 D CB -2.219 38.630 40.800 0.082 0.000 1.104 310 D HN 0.515 nan 8.370 nan 0.000 0.421 311 c N -0.595 118.050 118.600 0.076 0.000 3.886 311 c HA -0.248 4.322 4.570 -0.000 0.000 0.295 311 c C 1.718 175.845 174.090 0.062 0.000 1.411 311 c CA 1.262 57.622 56.329 0.053 0.000 2.059 311 c CB -1.660 40.864 42.510 0.023 0.000 1.329 311 c HN 0.456 nan 8.230 nan 0.000 0.670 312 K N -0.494 119.922 120.400 0.027 0.000 2.379 312 K HA 0.181 4.500 4.320 -0.000 0.000 0.194 312 K C 0.572 177.178 176.600 0.010 0.000 1.031 312 K CA 0.524 56.830 56.287 0.031 0.000 1.037 312 K CB 0.188 32.682 32.500 -0.009 0.000 0.824 312 K HN 0.573 nan 8.250 nan 0.000 0.516 313 L N 2.089 123.228 121.223 -0.140 0.000 2.305 313 L HA 0.270 4.610 4.340 -0.000 0.000 0.281 313 L C 0.261 177.002 176.870 -0.214 0.000 1.085 313 L CA -0.590 54.055 54.840 -0.325 0.000 0.813 313 L CB 0.722 42.231 42.059 -0.916 0.000 1.157 313 L HN 0.036 nan 8.230 nan 0.000 0.436 314 R N 2.591 122.991 120.500 -0.168 0.000 2.265 314 R HA 0.368 4.708 4.340 -0.000 0.000 0.319 314 R C -0.753 175.480 176.300 -0.111 0.000 1.006 314 R CA -0.597 55.317 56.100 -0.310 0.000 0.880 314 R CB 1.064 31.183 30.300 -0.302 0.000 1.077 314 R HN 0.682 nan 8.270 nan 0.000 0.454 315 c N 2.063 120.619 118.600 -0.073 0.000 2.689 315 c HA 0.204 4.774 4.570 -0.000 0.000 0.409 315 c C 0.459 174.520 174.090 -0.049 0.000 1.293 315 c CA 0.179 56.536 56.329 0.048 0.000 2.136 315 c CB 0.862 43.371 42.510 -0.001 0.000 2.719 315 c HN 0.839 nan 8.230 nan 0.000 0.644 316 S N 0.405 116.091 115.700 -0.022 0.000 2.630 316 S HA 0.127 4.597 4.470 -0.000 0.000 0.173 316 S C -0.597 173.979 174.600 -0.041 0.000 1.048 316 S CA -0.482 57.693 58.200 -0.041 0.000 1.172 316 S CB 0.067 63.250 63.200 -0.029 0.000 1.638 316 S HN 0.837 nan 8.310 nan 0.000 0.429 317 c N 2.561 121.128 118.600 -0.056 0.000 2.610 317 c HA 0.141 4.711 4.570 -0.000 0.000 0.382 317 c C 1.968 176.007 174.090 -0.084 0.000 1.287 317 c CA -0.611 55.677 56.329 -0.068 0.000 1.640 317 c CB -2.074 40.391 42.510 -0.075 0.000 2.335 317 c HN 0.764 nan 8.230 nan 0.000 0.577 318 N N 2.369 121.014 118.700 -0.092 0.000 2.165 318 N HA -0.236 4.504 4.740 -0.000 0.000 0.198 318 N C 0.922 176.351 175.510 -0.135 0.000 0.999 318 N CA 1.598 54.581 53.050 -0.112 0.000 0.893 318 N CB -0.151 38.253 38.487 -0.138 0.000 1.025 318 N HN 0.772 nan 8.380 nan 0.000 0.456 319 N N -0.914 117.689 118.700 -0.161 0.000 2.282 319 N HA 0.159 4.899 4.740 -0.000 0.000 0.240 319 N C 0.208 175.650 175.510 -0.113 0.000 1.182 319 N CA 0.116 53.072 53.050 -0.156 0.000 0.874 319 N CB 1.313 39.667 38.487 -0.222 0.000 1.126 319 N HN 0.222 nan 8.380 nan 0.000 0.516 320 G N 1.449 110.194 108.800 -0.092 0.000 2.136 320 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.242 320 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.242 320 G C -0.172 174.688 174.900 -0.067 0.000 0.989 320 G CA -0.130 44.927 45.100 -0.071 0.000 0.682 320 G HN 0.325 nan 8.290 nan 0.000 0.522 321 E N -0.249 119.904 120.200 -0.078 0.000 2.418 321 E HA 0.464 4.814 4.350 -0.000 0.000 0.261 321 E C 1.344 177.911 176.600 -0.056 0.000 1.070 321 E CA -0.140 56.220 56.400 -0.066 0.000 0.931 321 E CB 0.337 29.994 29.700 -0.072 0.000 0.954 321 E HN 0.429 nan 8.360 nan 0.000 0.439 322 M N 1.318 120.891 119.600 -0.045 0.000 2.240 322 M HA -0.128 4.352 4.480 -0.000 0.000 0.346 322 M C -0.343 175.924 176.300 -0.055 0.000 1.236 322 M CA 0.553 55.829 55.300 -0.039 0.000 0.986 322 M CB 0.175 32.758 32.600 -0.028 0.000 1.786 322 M HN 0.552 nan 8.290 nan 0.000 0.457 323 c N 5.430 124.001 118.600 -0.049 0.000 2.258 323 c HA 0.396 4.966 4.570 -0.000 0.000 0.321 323 c C -0.400 173.662 174.090 -0.047 0.000 1.168 323 c CA -0.737 55.554 56.329 -0.063 0.000 1.531 323 c CB -0.291 42.197 42.510 -0.037 0.000 2.095 323 c HN 0.862 nan 8.230 nan 0.000 0.449 324 D N 3.282 123.642 120.400 -0.066 0.000 2.277 324 D HA 0.262 4.902 4.640 -0.000 0.000 0.249 324 D C 1.679 177.957 176.300 -0.036 0.000 1.134 324 D CA -0.427 53.552 54.000 -0.036 0.000 0.863 324 D CB 1.018 41.825 40.800 0.012 0.000 1.143 324 D HN 0.709 nan 8.370 nan 0.000 0.458 325 R N 2.721 123.129 120.500 -0.153 0.000 2.261 325 R HA -0.155 4.185 4.340 -0.000 0.000 0.236 325 R C 0.560 176.726 176.300 -0.222 0.000 1.141 325 R CA 1.344 57.295 56.100 -0.247 0.000 1.001 325 R CB -0.430 29.520 30.300 -0.582 0.000 0.866 325 R HN 0.456 nan 8.270 nan 0.000 0.468 326 F N 0.495 120.481 119.950 0.060 0.000 2.419 326 F HA 0.194 4.721 4.527 -0.000 0.000 0.283 326 F C 2.394 178.248 175.800 0.091 0.000 1.044 326 F CA 0.155 58.188 58.000 0.054 0.000 1.376 326 F CB 0.078 39.040 39.000 -0.064 0.000 1.131 326 F HN -0.117 nan 8.300 nan 0.000 0.585 327 Q N 0.225 120.150 119.800 0.208 0.000 2.378 327 Q HA 0.364 4.704 4.340 -0.000 0.000 0.216 327 Q C 1.193 177.151 176.000 -0.070 0.000 0.892 327 Q CA 0.534 56.392 55.803 0.091 0.000 0.931 327 Q CB 1.090 29.830 28.738 0.003 0.000 1.086 327 Q HN 0.481 nan 8.270 nan 0.000 0.528 328 G N 0.863 109.410 108.800 -0.421 0.000 2.516 328 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.220 328 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.220 328 G C -0.544 174.060 174.900 -0.492 0.000 1.165 328 G CA -0.507 43.867 45.100 -1.210 0.000 1.013 328 G HN 0.293 nan 8.290 nan 0.000 0.590 329 c N 1.350 119.719 118.600 -0.384 0.000 2.576 329 c HA 0.563 5.133 4.570 -0.000 0.000 0.401 329 c C 1.151 175.181 174.090 -0.101 0.000 1.314 329 c CA -0.090 56.134 56.329 -0.175 0.000 1.855 329 c CB -0.965 41.476 42.510 -0.115 0.000 2.537 329 c HN 0.521 nan 8.230 nan 0.000 0.578 330 L N 4.312 125.494 121.223 -0.069 0.000 2.288 330 L HA 0.251 4.591 4.340 -0.000 0.000 0.283 330 L C 0.255 177.115 176.870 -0.017 0.000 1.072 330 L CA -0.160 54.660 54.840 -0.034 0.000 0.862 330 L CB -0.227 41.815 42.059 -0.027 0.000 1.245 330 L HN 0.799 nan 8.230 nan 0.000 0.432 331 c N 1.140 119.745 118.600 0.007 0.000 2.649 331 c HA 0.314 4.884 4.570 -0.000 0.000 0.377 331 c C 1.300 175.422 174.090 0.053 0.000 1.321 331 c CA -0.676 55.675 56.329 0.036 0.000 2.368 331 c CB 0.779 43.348 42.510 0.098 0.000 2.597 331 c HN 0.851 nan 8.230 nan 0.000 0.678 332 S N 1.007 116.751 115.700 0.074 0.000 2.672 332 S HA 0.469 4.939 4.470 -0.000 0.000 0.276 332 S C -2.886 171.812 174.600 0.163 0.000 1.207 332 S CA -1.018 57.235 58.200 0.089 0.000 1.002 332 S CB 0.016 63.251 63.200 0.057 0.000 0.998 332 S HN 0.598 nan 8.310 nan 0.000 0.542 333 P HA 0.192 nan 4.420 nan 0.000 0.261 333 P C 1.036 178.416 177.300 0.134 0.000 1.165 333 P CA 1.780 64.934 63.100 0.089 0.000 0.759 333 P CB -0.155 31.578 31.700 0.054 0.000 0.772 334 G N 0.691 109.502 108.800 0.017 0.000 2.217 334 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.246 334 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.246 334 G C -0.682 173.982 174.900 -0.392 0.000 0.990 334 G CA -0.621 44.373 45.100 -0.177 0.000 0.627 334 G HN 0.424 nan 8.290 nan 0.000 0.522 335 W N 1.044 122.327 121.300 -0.029 0.000 2.619 335 W HA 0.799 5.459 4.660 -0.000 0.000 0.327 335 W C 0.162 176.673 176.519 -0.014 0.000 1.027 335 W CA -0.775 56.558 57.345 -0.021 0.000 1.233 335 W CB 1.377 30.827 29.460 -0.017 0.000 1.370 335 W HN 0.085 nan 8.180 nan 0.000 0.453 336 Q N 1.007 120.911 119.800 0.173 0.000 2.699 336 Q HA 0.759 5.099 4.340 -0.000 0.000 0.240 336 Q C 0.378 176.465 176.000 0.146 0.000 1.033 336 Q CA -0.135 55.742 55.803 0.123 0.000 0.938 336 Q CB 1.915 30.698 28.738 0.074 0.000 1.312 336 Q HN 0.753 nan 8.270 nan 0.000 0.507 337 G N -0.003 108.866 108.800 0.115 0.000 2.662 337 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.686 337 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.686 337 G C -0.140 174.809 174.900 0.082 0.000 1.271 337 G CA -0.313 44.850 45.100 0.106 0.000 0.816 337 G HN 0.401 nan 8.290 nan 0.000 0.608 338 L N 0.172 121.439 121.223 0.073 0.000 2.083 338 L HA 0.056 4.396 4.340 -0.000 0.000 0.209 338 L C 2.631 179.521 176.870 0.034 0.000 1.083 338 L CA 2.641 57.516 54.840 0.059 0.000 0.752 338 L CB -0.590 41.513 42.059 0.074 0.000 0.899 338 L HN 0.750 nan 8.230 nan 0.000 0.433 339 Q N -2.532 117.292 119.800 0.039 0.000 2.172 339 Q HA 0.172 4.512 4.340 -0.000 0.000 0.217 339 Q C 0.239 176.244 176.000 0.007 0.000 0.832 339 Q CA 0.051 55.861 55.803 0.013 0.000 1.010 339 Q CB 0.344 29.089 28.738 0.011 0.000 1.133 339 Q HN 0.349 nan 8.270 nan 0.000 0.489 340 c N 2.090 120.719 118.600 0.050 0.000 4.454 340 c HA -0.131 4.439 4.570 -0.000 0.000 0.301 340 c C 0.880 175.045 174.090 0.125 0.000 1.366 340 c CA 1.051 57.435 56.329 0.092 0.000 2.016 340 c CB -2.245 40.258 42.510 -0.013 0.000 1.253 340 c HN 0.695 nan 8.230 nan 0.000 0.770 341 E N -0.670 119.635 120.200 0.174 0.000 2.498 341 E HA 0.224 4.574 4.350 -0.000 0.000 0.203 341 E C 0.637 177.444 176.600 0.345 0.000 1.013 341 E CA 0.137 56.662 56.400 0.209 0.000 0.927 341 E CB 0.231 29.997 29.700 0.109 0.000 1.012 341 E HN 0.712 nan 8.360 nan 0.000 0.482 342 R N 0.216 120.928 120.500 0.352 0.000 2.832 342 R HA 0.572 4.912 4.340 -0.000 0.000 0.271 342 R C -0.008 176.288 176.300 -0.006 0.000 0.996 342 R CA -0.634 55.580 56.100 0.190 0.000 0.977 342 R CB 1.782 32.152 30.300 0.117 0.000 1.168 342 R HN 0.027 nan 8.270 nan 0.000 0.482 343 E N -0.048 120.021 120.200 -0.218 0.000 4.369 343 E HA 0.400 4.750 4.350 -0.000 0.000 0.215 343 E C 0.065 176.485 176.600 -0.299 0.000 1.019 343 E CA -0.555 55.558 56.400 -0.479 0.000 1.158 343 E CB 0.222 29.516 29.700 -0.677 0.000 1.929 343 E HN 0.640 nan 8.360 nan 0.000 0.426 344 G N 1.070 109.692 108.800 -0.297 0.000 2.791 344 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.256 344 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.256 344 G C -0.229 174.430 174.900 -0.402 0.000 1.380 344 G CA -0.067 44.868 45.100 -0.274 0.000 0.904 344 G HN 0.275 nan 8.290 nan 0.000 0.563 345 I N 3.122 123.327 120.570 -0.610 0.000 2.828 345 I HA 0.150 4.319 4.170 -0.000 0.000 0.292 345 I C -0.877 174.696 176.117 -0.907 0.000 1.206 345 I CA -0.239 60.490 61.300 -0.951 0.000 1.420 345 I CB 0.092 37.048 38.000 -1.740 0.000 1.368 345 I HN 0.407 nan 8.210 nan 0.000 0.556 346 P HA 0.193 nan 4.420 nan 0.000 0.275 346 P C -0.431 176.840 177.300 -0.048 0.000 1.228 346 P CA -0.563 62.408 63.100 -0.215 0.000 0.786 346 P CB 0.675 32.288 31.700 -0.146 0.000 0.927 347 R N 1.773 122.375 120.500 0.170 0.000 2.694 347 R HA 0.403 4.743 4.340 -0.000 0.000 0.268 347 R C 0.403 176.817 176.300 0.190 0.000 1.061 347 R CA 0.125 56.415 56.100 0.317 0.000 1.133 347 R CB 0.219 30.672 30.300 0.256 0.000 1.020 347 R HN 0.539 nan 8.270 nan 0.000 0.475 348 M N 1.192 120.919 119.600 0.212 0.000 2.213 348 M HA 0.180 4.660 4.480 -0.000 0.000 0.286 348 M C -0.762 175.605 176.300 0.112 0.000 1.008 348 M CA -0.501 54.879 55.300 0.133 0.000 0.937 348 M CB 2.542 35.223 32.600 0.134 0.000 1.600 348 M HN 0.607 nan 8.290 nan 0.000 0.450 349 T N 4.018 118.621 114.554 0.082 0.000 2.937 349 T HA 0.144 4.494 4.350 -0.000 0.000 0.316 349 T C -2.331 172.413 174.700 0.073 0.000 1.079 349 T CA -0.558 61.583 62.100 0.069 0.000 1.131 349 T CB -0.092 68.807 68.868 0.052 0.000 1.000 349 T HN 0.325 nan 8.240 nan 0.000 0.549 350 P HA 0.252 nan 4.420 nan 0.000 0.270 350 P C -0.493 176.855 177.300 0.080 0.000 1.227 350 P CA -0.215 62.934 63.100 0.081 0.000 0.788 350 P CB 0.466 32.209 31.700 0.072 0.000 0.926 351 K N 1.412 121.870 120.400 0.096 0.000 2.581 351 K HA 0.338 4.658 4.320 -0.000 0.000 0.249 351 K C -1.121 175.522 176.600 0.072 0.000 0.966 351 K CA -0.477 55.860 56.287 0.084 0.000 0.811 351 K CB 0.944 33.507 32.500 0.104 0.000 1.223 351 K HN 0.257 nan 8.250 nan 0.000 0.438 352 I N 5.117 125.709 120.570 0.037 0.000 2.379 352 I HA 0.160 4.329 4.170 -0.000 0.000 0.290 352 I C -0.014 176.080 176.117 -0.039 0.000 1.063 352 I CA -0.435 60.864 61.300 -0.001 0.000 1.351 352 I CB 0.553 38.547 38.000 -0.009 0.000 1.410 352 I HN 0.252 nan 8.210 nan 0.000 0.505 353 V N 5.744 125.598 119.914 -0.101 0.000 2.581 353 V HA 0.408 4.527 4.120 -0.000 0.000 0.303 353 V C 0.132 176.099 176.094 -0.213 0.000 1.041 353 V CA -0.543 61.658 62.300 -0.164 0.000 0.907 353 V CB 1.664 33.317 31.823 -0.282 0.000 0.994 353 V HN 0.769 nan 8.190 nan 0.000 0.442 354 D N 1.002 121.304 120.400 -0.163 0.000 3.068 354 D HA -0.151 4.489 4.640 -0.000 0.000 0.218 354 D C -0.370 175.844 176.300 -0.143 0.000 1.145 354 D CA 0.808 54.719 54.000 -0.149 0.000 0.896 354 D CB -0.755 39.931 40.800 -0.190 0.000 1.105 354 D HN 0.374 nan 8.370 nan 0.000 0.423 355 L N 0.897 122.034 121.223 -0.144 0.000 2.257 355 L HA 0.342 4.682 4.340 -0.000 0.000 0.290 355 L C -1.610 175.193 176.870 -0.112 0.000 1.044 355 L CA -1.228 53.496 54.840 -0.193 0.000 0.810 355 L CB 0.933 42.846 42.059 -0.243 0.000 1.193 355 L HN -0.234 nan 8.230 nan 0.000 0.425 356 P HA 0.093 nan 4.420 nan 0.000 0.271 356 P C -0.385 176.945 177.300 0.050 0.000 1.244 356 P CA -0.243 62.863 63.100 0.010 0.000 0.793 356 P CB 0.798 32.528 31.700 0.050 0.000 0.984 357 D N -2.049 118.376 120.400 0.042 0.000 2.327 357 D HA 0.031 4.670 4.640 -0.000 0.000 0.205 357 D C 0.129 176.243 176.300 -0.309 0.000 0.989 357 D CA 1.107 55.065 54.000 -0.071 0.000 0.873 357 D CB 0.095 40.869 40.800 -0.045 0.000 0.955 357 D HN 0.353 nan 8.370 nan 0.000 0.515 358 H N -0.947 118.198 119.070 0.125 0.000 3.016 358 H HA 0.265 4.820 4.556 -0.000 0.000 0.362 358 H C 0.468 175.865 175.328 0.114 0.000 1.233 358 H CA -0.566 55.543 56.048 0.101 0.000 1.124 358 H CB 2.077 31.872 29.762 0.055 0.000 1.850 358 H HN -0.244 nan 8.280 nan 0.000 0.549 359 I N -0.010 120.690 120.570 0.216 0.000 3.873 359 I HA -0.023 4.147 4.170 -0.000 0.000 0.284 359 I C -0.265 175.911 176.117 0.097 0.000 1.186 359 I CA 0.278 61.678 61.300 0.166 0.000 1.362 359 I CB -0.237 37.891 38.000 0.213 0.000 1.432 359 I HN 0.699 nan 8.210 nan 0.000 0.454 360 E N 1.305 121.531 120.200 0.044 0.000 5.041 360 E HA -0.132 4.218 4.350 -0.000 0.000 0.185 360 E C -0.612 175.986 176.600 -0.003 0.000 1.775 360 E CA 0.135 56.536 56.400 0.002 0.000 1.128 360 E CB -1.037 28.670 29.700 0.013 0.000 1.025 360 E HN 0.150 nan 8.360 nan 0.000 0.332 361 V N 2.509 122.384 119.914 -0.065 0.000 3.007 361 V HA 0.527 4.647 4.120 -0.000 0.000 0.311 361 V C -0.681 175.368 176.094 -0.075 0.000 1.120 361 V CA -0.917 61.356 62.300 -0.045 0.000 0.980 361 V CB 2.206 33.991 31.823 -0.062 0.000 1.033 361 V HN 0.624 nan 8.190 nan 0.000 0.429 362 N N 2.449 121.135 118.700 -0.024 0.000 2.515 362 N HA 0.337 5.076 4.740 -0.000 0.000 0.279 362 N C -0.221 175.268 175.510 -0.034 0.000 1.164 362 N CA -0.219 52.816 53.050 -0.025 0.000 0.982 362 N CB 1.391 39.878 38.487 0.001 0.000 1.170 362 N HN 0.732 nan 8.380 nan 0.000 0.474 363 S N 0.118 115.796 115.700 -0.035 0.000 2.552 363 S HA 0.450 4.920 4.470 -0.000 0.000 0.289 363 S C 0.987 175.589 174.600 0.003 0.000 1.304 363 S CA 0.146 58.328 58.200 -0.030 0.000 1.063 363 S CB 0.357 63.547 63.200 -0.017 0.000 0.848 363 S HN 0.845 nan 8.310 nan 0.000 0.499 364 G N 2.424 111.232 108.800 0.014 0.000 2.320 364 G HA2 0.123 4.083 3.960 -0.000 0.000 0.274 364 G HA3 0.123 4.083 3.960 -0.000 0.000 0.274 364 G C -1.732 173.215 174.900 0.079 0.000 1.324 364 G CA -1.193 43.935 45.100 0.047 0.000 0.957 364 G HN 0.518 nan 8.290 nan 0.000 0.481 365 K N -0.487 119.969 120.400 0.092 0.000 2.524 365 K HA 0.505 4.825 4.320 -0.000 0.000 0.279 365 K C -0.731 175.982 176.600 0.188 0.000 0.993 365 K CA 0.488 56.844 56.287 0.115 0.000 1.030 365 K CB 0.109 32.660 32.500 0.084 0.000 0.891 365 K HN 0.527 nan 8.250 nan 0.000 0.488 366 F N 2.776 122.717 119.950 -0.014 0.000 2.561 366 F HA 0.395 4.922 4.527 -0.000 0.000 0.313 366 F C -0.892 174.913 175.800 0.007 0.000 1.126 366 F CA -0.891 57.090 58.000 -0.031 0.000 0.918 366 F CB 1.510 40.457 39.000 -0.088 0.000 1.199 366 F HN 0.456 nan 8.300 nan 0.000 0.444 367 N N 7.228 125.570 118.700 -0.597 0.000 2.762 367 N HA 0.233 4.973 4.740 -0.000 0.000 0.252 367 N C -2.963 172.225 175.510 -0.537 0.000 1.269 367 N CA -0.857 51.957 53.050 -0.394 0.000 0.799 367 N CB 1.735 40.116 38.487 -0.177 0.000 1.173 367 N HN 0.352 nan 8.380 nan 0.000 0.516 368 P HA 0.421 nan 4.420 nan 0.000 0.276 368 P C -0.309 176.986 177.300 -0.008 0.000 1.244 368 P CA -0.268 62.611 63.100 -0.368 0.000 0.801 368 P CB 1.798 33.367 31.700 -0.219 0.000 1.006 369 I N 0.608 121.159 120.570 -0.032 0.000 2.608 369 I HA 0.321 4.491 4.170 -0.000 0.000 0.295 369 I C -0.344 175.777 176.117 0.007 0.000 1.049 369 I CA -0.775 60.549 61.300 0.039 0.000 1.063 369 I CB 2.181 40.147 38.000 -0.057 0.000 1.248 369 I HN 0.286 nan 8.210 nan 0.000 0.424 370 c N 4.282 122.957 118.600 0.125 0.000 2.456 370 c HA 0.542 5.112 4.570 -0.000 0.000 0.325 370 c C -0.103 173.999 174.090 0.019 0.000 1.217 370 c CA -0.756 55.603 56.329 0.051 0.000 1.687 370 c CB 1.458 44.080 42.510 0.188 0.000 2.270 370 c HN 0.663 nan 8.230 nan 0.000 0.499 371 K N 1.694 122.062 120.400 -0.054 0.000 2.471 371 K HA 0.749 5.069 4.320 -0.000 0.000 0.252 371 K C -1.130 175.440 176.600 -0.050 0.000 0.938 371 K CA -0.069 56.168 56.287 -0.085 0.000 0.796 371 K CB 1.498 33.869 32.500 -0.216 0.000 1.161 371 K HN 0.891 nan 8.250 nan 0.000 0.425 372 A N 2.120 124.974 122.820 0.057 0.000 2.414 372 A HA 0.636 4.955 4.320 -0.000 0.000 0.306 372 A C -0.712 177.047 177.584 0.292 0.000 1.054 372 A CA -0.703 51.414 52.037 0.133 0.000 0.724 372 A CB 1.481 20.557 19.000 0.128 0.000 1.267 372 A HN 0.772 nan 8.150 nan 0.000 0.418 373 S N 0.429 116.333 115.700 0.341 0.000 2.768 373 S HA 0.981 5.451 4.470 -0.000 0.000 0.300 373 S C 0.258 174.975 174.600 0.195 0.000 1.122 373 S CA -0.265 58.157 58.200 0.371 0.000 0.995 373 S CB 1.465 64.926 63.200 0.434 0.000 1.195 373 S HN 2.654 nan 8.310 nan 0.000 0.547 374 G N -1.154 107.734 108.800 0.145 0.000 2.316 374 G HA2 0.108 4.067 3.960 -0.000 0.000 0.468 374 G HA3 0.108 4.067 3.960 -0.000 0.000 0.468 374 G C -0.647 174.343 174.900 0.151 0.000 1.523 374 G CA -0.241 44.934 45.100 0.126 0.000 0.972 374 G HN 0.955 nan 8.290 nan 0.000 0.667 375 W N 2.125 123.432 121.300 0.011 0.000 2.408 375 W HA 0.180 4.840 4.660 -0.000 0.000 0.311 375 W C -0.983 175.549 176.519 0.022 0.000 1.190 375 W CA 2.105 59.453 57.345 0.006 0.000 1.321 375 W CB -0.816 28.639 29.460 -0.009 0.000 1.143 375 W HN 0.461 nan 8.180 nan 0.000 0.501 376 P HA -0.021 nan 4.420 nan 0.000 0.269 376 P C -0.280 176.811 177.300 -0.347 0.000 1.376 376 P CA 0.436 63.148 63.100 -0.648 0.000 0.775 376 P CB -0.825 30.653 31.700 -0.370 0.000 1.345 377 L N 0.431 121.528 121.223 -0.210 0.000 4.639 377 L HA -0.175 4.165 4.340 -0.000 0.000 0.580 377 L C -1.532 175.313 176.870 -0.041 0.000 0.983 377 L CA -0.492 54.314 54.840 -0.057 0.000 0.510 377 L CB -0.671 41.365 42.059 -0.038 0.000 0.381 377 L HN 0.116 nan 8.230 nan 0.000 1.152 378 P HA -0.021 nan 4.420 nan 0.000 0.263 378 P C 0.128 177.466 177.300 0.065 0.000 1.175 378 P CA 0.040 63.168 63.100 0.047 0.000 0.761 378 P CB 0.513 32.279 31.700 0.110 0.000 0.794 379 T N -0.915 113.589 114.554 -0.083 0.000 2.852 379 T HA 0.114 4.464 4.350 -0.000 0.000 0.281 379 T C 1.372 175.716 174.700 -0.593 0.000 0.993 379 T CA -0.606 61.342 62.100 -0.253 0.000 0.933 379 T CB 0.442 69.174 68.868 -0.227 0.000 1.187 379 T HN 0.403 nan 8.240 nan 0.000 0.559 380 N N 0.514 118.582 118.700 -1.052 0.000 2.309 380 N HA -0.151 4.589 4.740 -0.000 0.000 0.182 380 N C 1.556 176.810 175.510 -0.428 0.000 1.018 380 N CA 1.489 53.856 53.050 -1.138 0.000 0.876 380 N CB -0.108 37.767 38.487 -1.020 0.000 0.972 380 N HN 0.891 nan 8.380 nan 0.000 0.434 381 E N -0.252 119.779 120.200 -0.282 0.000 2.502 381 E HA -0.043 4.307 4.350 -0.000 0.000 0.194 381 E C 0.426 176.995 176.600 -0.052 0.000 1.062 381 E CA 0.532 56.857 56.400 -0.125 0.000 0.867 381 E CB -0.057 29.575 29.700 -0.114 0.000 0.888 381 E HN 0.436 nan 8.360 nan 0.000 0.510 382 E N 0.431 120.587 120.200 -0.075 0.000 2.538 382 E HA 0.231 4.581 4.350 -0.000 0.000 0.207 382 E C -0.233 176.390 176.600 0.039 0.000 1.002 382 E CA -0.137 56.254 56.400 -0.015 0.000 0.952 382 E CB 0.505 30.186 29.700 -0.031 0.000 1.031 382 E HN 0.264 nan 8.360 nan 0.000 0.476 383 M N 1.158 120.800 119.600 0.069 0.000 2.311 383 M HA 0.330 4.810 4.480 -0.000 0.000 0.325 383 M C -0.416 176.035 176.300 0.252 0.000 1.061 383 M CA -0.466 54.937 55.300 0.171 0.000 0.957 383 M CB 2.100 34.837 32.600 0.230 0.000 1.646 383 M HN -0.097 nan 8.290 nan 0.000 0.434 384 T N 0.498 115.192 114.554 0.233 0.000 2.883 384 T HA 0.729 5.079 4.350 -0.000 0.000 0.301 384 T C -1.233 173.430 174.700 -0.061 0.000 1.158 384 T CA -0.946 61.236 62.100 0.138 0.000 1.007 384 T CB 1.787 70.599 68.868 -0.094 0.000 1.186 384 T HN 0.705 nan 8.240 nan 0.000 0.499 385 L N 2.141 123.135 121.223 -0.381 0.000 2.349 385 L HA 0.710 5.050 4.340 -0.000 0.000 0.278 385 L C -1.276 175.447 176.870 -0.246 0.000 0.996 385 L CA -1.039 53.500 54.840 -0.502 0.000 0.825 385 L CB 1.662 43.010 42.059 -1.184 0.000 1.243 385 L HN 0.667 nan 8.230 nan 0.000 0.412 386 V N 4.787 124.611 119.914 -0.151 0.000 2.398 386 V HA 0.373 4.493 4.120 -0.000 0.000 0.286 386 V C 0.126 176.004 176.094 -0.360 0.000 1.026 386 V CA -0.887 61.278 62.300 -0.226 0.000 0.868 386 V CB 1.614 33.319 31.823 -0.197 0.000 0.982 386 V HN 0.701 nan 8.190 nan 0.000 0.443 387 K N 4.723 124.762 120.400 -0.602 0.000 2.168 387 K HA 0.283 4.603 4.320 -0.000 0.000 0.258 387 K C -1.690 174.420 176.600 -0.816 0.000 1.010 387 K CA -1.438 54.159 56.287 -1.150 0.000 0.929 387 K CB 0.664 32.533 32.500 -1.052 0.000 0.998 387 K HN 0.296 nan 8.250 nan 0.000 0.479 388 P HA -0.214 nan 4.420 nan 0.000 0.216 388 P C 0.402 177.353 177.300 -0.581 0.000 1.150 388 P CA 1.419 64.240 63.100 -0.465 0.000 0.843 388 P CB 0.080 31.634 31.700 -0.243 0.000 0.787 389 D N -1.773 118.309 120.400 -0.530 0.000 2.325 389 D HA 0.072 4.712 4.640 -0.000 0.000 0.234 389 D C 1.332 177.349 176.300 -0.472 0.000 1.122 389 D CA 0.442 54.077 54.000 -0.609 0.000 0.850 389 D CB -0.718 39.991 40.800 -0.152 0.000 0.921 389 D HN 0.247 nan 8.370 nan 0.000 0.513 390 G N -0.029 108.495 108.800 -0.461 0.000 2.241 390 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.244 390 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.244 390 G C 0.565 175.279 174.900 -0.310 0.000 0.998 390 G CA 0.226 45.102 45.100 -0.374 0.000 0.621 390 G HN 0.461 nan 8.290 nan 0.000 0.519 391 T N 1.201 115.583 114.554 -0.287 0.000 2.933 391 T HA 0.380 4.730 4.350 -0.000 0.000 0.306 391 T C 0.409 174.975 174.700 -0.223 0.000 1.045 391 T CA 0.601 62.573 62.100 -0.214 0.000 1.143 391 T CB 1.931 70.690 68.868 -0.182 0.000 1.003 391 T HN 0.605 nan 8.240 nan 0.000 0.540 392 V N 5.551 125.366 119.914 -0.165 0.000 2.357 392 V HA 0.391 4.511 4.120 -0.000 0.000 0.284 392 V C 0.095 176.087 176.094 -0.170 0.000 1.018 392 V CA -0.693 61.491 62.300 -0.193 0.000 0.841 392 V CB 1.034 32.737 31.823 -0.199 0.000 0.991 392 V HN 0.663 nan 8.190 nan 0.000 0.437 393 L N 5.103 126.229 121.223 -0.162 0.000 2.322 393 L HA 0.639 4.979 4.340 -0.000 0.000 0.279 393 L C -0.117 176.769 176.870 0.028 0.000 1.036 393 L CA -0.700 54.142 54.840 0.003 0.000 0.807 393 L CB 1.326 43.468 42.059 0.139 0.000 1.226 393 L HN 0.574 nan 8.230 nan 0.000 0.433 394 H N 1.090 120.365 119.070 0.340 0.000 2.533 394 H HA 0.376 4.932 4.556 -0.000 0.000 0.343 394 H C -2.251 173.200 175.328 0.204 0.000 1.160 394 H CA -1.897 54.333 56.048 0.303 0.000 1.218 394 H CB 1.806 31.640 29.762 0.119 0.000 1.566 394 H HN 0.292 nan 8.280 nan 0.000 0.522 395 P HA 0.026 nan 4.420 nan 0.000 0.269 395 P C 0.658 177.870 177.300 -0.147 0.000 1.215 395 P CA 0.016 62.812 63.100 -0.506 0.000 0.780 395 P CB 1.434 32.891 31.700 -0.405 0.000 0.898 396 K N 0.438 120.753 120.400 -0.143 0.000 2.365 396 K HA 0.079 4.399 4.320 -0.000 0.000 0.195 396 K C -0.045 176.543 176.600 -0.020 0.000 1.079 396 K CA 0.421 56.691 56.287 -0.028 0.000 0.979 396 K CB 0.434 32.941 32.500 0.011 0.000 0.929 396 K HN 0.457 nan 8.250 nan 0.000 0.523 397 D N -1.264 119.114 120.400 -0.036 0.000 2.570 397 D HA 0.372 5.012 4.640 -0.000 0.000 0.244 397 D C -1.885 174.471 176.300 0.092 0.000 1.178 397 D CA -0.558 53.453 54.000 0.017 0.000 0.881 397 D CB 1.382 42.176 40.800 -0.009 0.000 1.453 397 D HN -0.078 nan 8.370 nan 0.000 0.447 398 F N 1.613 121.520 119.950 -0.071 0.000 2.678 398 F HA 0.576 5.103 4.527 -0.000 0.000 0.308 398 F C -1.717 174.083 175.800 0.000 0.000 1.118 398 F CA -0.445 57.522 58.000 -0.055 0.000 0.959 398 F CB 1.458 40.424 39.000 -0.057 0.000 1.305 398 F HN 0.566 nan 8.300 nan 0.000 0.443 399 N N 1.024 119.251 118.700 -0.788 0.000 3.265 399 N HA 0.351 5.091 4.740 -0.000 0.000 0.235 399 N C -2.360 172.858 175.510 -0.486 0.000 1.343 399 N CA -0.918 51.897 53.050 -0.392 0.000 0.904 399 N CB 1.405 39.783 38.487 -0.182 0.000 1.492 399 N HN 0.652 nan 8.380 nan 0.000 0.504 400 H N -1.376 117.498 119.070 -0.325 0.000 2.689 400 H HA 0.593 5.149 4.556 -0.000 0.000 0.346 400 H C -0.480 174.792 175.328 -0.094 0.000 1.037 400 H CA -0.349 55.578 56.048 -0.201 0.000 1.234 400 H CB 0.735 30.443 29.762 -0.090 0.000 1.572 400 H HN 0.899 nan 8.280 nan 0.000 0.524 401 T N 0.046 114.537 114.554 -0.106 0.000 3.051 401 T HA -0.045 4.304 4.350 -0.000 0.000 0.356 401 T C 1.354 175.943 174.700 -0.185 0.000 1.204 401 T CA 0.470 62.480 62.100 -0.151 0.000 0.990 401 T CB 0.168 69.003 68.868 -0.055 0.000 1.628 401 T HN 0.623 nan 8.240 nan 0.000 0.550 402 D N 1.302 121.551 120.400 -0.252 0.000 2.154 402 D HA -0.254 4.386 4.640 -0.000 0.000 0.190 402 D C 0.836 176.966 176.300 -0.284 0.000 1.003 402 D CA 2.492 56.284 54.000 -0.347 0.000 0.849 402 D CB -0.836 39.620 40.800 -0.573 0.000 0.942 402 D HN 0.985 nan 8.370 nan 0.000 0.446 403 H N -2.988 115.985 119.070 -0.163 0.000 3.225 403 H HA 0.552 5.107 4.556 -0.000 0.000 0.205 403 H C -1.352 173.780 175.328 -0.328 0.000 1.314 403 H CA -1.085 54.853 56.048 -0.183 0.000 1.336 403 H CB -1.262 28.372 29.762 -0.213 0.000 2.276 403 H HN 0.104 nan 8.280 nan 0.000 0.535 404 F N 0.581 120.612 119.950 0.137 0.000 2.605 404 F HA 0.503 5.030 4.527 -0.000 0.000 0.320 404 F C -0.400 175.426 175.800 0.043 0.000 1.159 404 F CA -0.988 57.066 58.000 0.090 0.000 0.999 404 F CB 2.416 41.439 39.000 0.039 0.000 1.258 404 F HN 0.126 nan 8.300 nan 0.000 0.464 405 S N 2.340 118.193 115.700 0.256 0.000 2.541 405 S HA 0.676 5.146 4.470 -0.000 0.000 0.283 405 S C -0.656 173.915 174.600 -0.049 0.000 1.196 405 S CA -0.677 57.570 58.200 0.078 0.000 1.062 405 S CB 1.930 65.270 63.200 0.233 0.000 1.009 405 S HN 0.302 nan 8.310 nan 0.000 0.502 406 V N 2.442 122.147 119.914 -0.349 0.000 2.447 406 V HA 0.660 4.780 4.120 -0.000 0.000 0.292 406 V C -0.066 175.842 176.094 -0.311 0.000 1.021 406 V CA -0.694 61.454 62.300 -0.253 0.000 0.850 406 V CB 1.233 32.925 31.823 -0.218 0.000 1.005 406 V HN 0.982 nan 8.190 nan 0.000 0.426 407 A N 6.389 129.201 122.820 -0.014 0.000 2.312 407 A HA 0.919 5.239 4.320 -0.000 0.000 0.326 407 A C -0.644 176.824 177.584 -0.193 0.000 1.172 407 A CA -0.505 51.551 52.037 0.032 0.000 0.821 407 A CB 0.730 19.764 19.000 0.056 0.000 1.166 407 A HN 0.770 nan 8.150 nan 0.000 0.493 408 I N 1.949 122.337 120.570 -0.303 0.000 2.406 408 I HA 0.396 4.565 4.170 -0.000 0.000 0.290 408 I C -1.198 174.687 176.117 -0.387 0.000 0.999 408 I CA -0.214 60.943 61.300 -0.238 0.000 1.124 408 I CB 1.512 39.441 38.000 -0.117 0.000 1.289 408 I HN 0.546 nan 8.210 nan 0.000 0.441 409 F N 2.976 122.937 119.950 0.017 0.000 2.432 409 F HA 0.516 5.043 4.527 -0.000 0.000 0.329 409 F C 0.563 176.377 175.800 0.023 0.000 1.076 409 F CA -0.598 57.434 58.000 0.054 0.000 1.018 409 F CB 1.853 40.913 39.000 0.100 0.000 1.201 409 F HN 0.209 nan 8.300 nan 0.000 0.489 410 T N 3.616 118.319 114.554 0.248 0.000 2.847 410 T HA 0.566 4.916 4.350 -0.000 0.000 0.291 410 T C -0.790 174.048 174.700 0.230 0.000 0.998 410 T CA -0.312 61.893 62.100 0.175 0.000 0.967 410 T CB 0.580 69.525 68.868 0.128 0.000 0.954 410 T HN 0.180 nan 8.240 nan 0.000 0.441 411 I N 5.348 126.039 120.570 0.202 0.000 2.330 411 I HA 0.264 4.434 4.170 -0.000 0.000 0.289 411 I C 1.714 177.848 176.117 0.029 0.000 1.001 411 I CA -0.665 60.708 61.300 0.122 0.000 1.193 411 I CB 1.034 39.133 38.000 0.164 0.000 1.345 411 I HN 0.723 nan 8.210 nan 0.000 0.461 412 H N 6.566 125.726 119.070 0.151 0.000 2.371 412 H HA -0.205 4.351 4.556 -0.000 0.000 0.292 412 H C 0.302 175.698 175.328 0.112 0.000 1.066 412 H CA 1.567 57.683 56.048 0.114 0.000 1.153 412 H CB -0.487 29.330 29.762 0.093 0.000 1.375 412 H HN 0.590 nan 8.280 nan 0.000 0.558 413 R N 0.954 121.426 120.500 -0.048 0.000 2.513 413 R HA 0.524 4.864 4.340 -0.000 0.000 0.283 413 R C -0.729 175.529 176.300 -0.071 0.000 1.535 413 R CA -0.536 55.571 56.100 0.012 0.000 1.315 413 R CB 0.401 30.768 30.300 0.112 0.000 1.163 413 R HN 0.282 nan 8.270 nan 0.000 0.573 414 I N 4.530 125.057 120.570 -0.073 0.000 2.598 414 I HA 0.072 4.242 4.170 -0.000 0.000 0.284 414 I C -0.666 175.410 176.117 -0.069 0.000 1.140 414 I CA -0.125 61.117 61.300 -0.095 0.000 1.420 414 I CB 0.455 38.311 38.000 -0.240 0.000 1.387 414 I HN 0.640 nan 8.210 nan 0.000 0.553 415 L N 8.530 129.735 121.223 -0.029 0.000 2.331 415 L HA 0.453 4.793 4.340 -0.000 0.000 0.268 415 L C -1.712 175.147 176.870 -0.019 0.000 1.015 415 L CA -1.716 53.116 54.840 -0.013 0.000 0.807 415 L CB 0.742 42.811 42.059 0.017 0.000 1.293 415 L HN 0.387 nan 8.230 nan 0.000 0.451 416 P HA -0.138 nan 4.420 nan 0.000 0.215 416 P C -1.496 175.804 177.300 0.000 0.000 1.163 416 P CA 1.628 64.718 63.100 -0.016 0.000 0.894 416 P CB -0.777 30.917 31.700 -0.010 0.000 0.791 417 P HA -0.158 nan 4.420 nan 0.000 0.220 417 P C 0.749 178.071 177.300 0.037 0.000 1.148 417 P CA 1.417 64.526 63.100 0.016 0.000 0.803 417 P CB -0.344 31.364 31.700 0.013 0.000 0.782 418 D N 0.400 120.835 120.400 0.059 0.000 2.350 418 D HA -0.049 4.591 4.640 -0.000 0.000 0.216 418 D C 0.792 177.226 176.300 0.222 0.000 0.968 418 D CA 0.614 54.689 54.000 0.125 0.000 0.894 418 D CB -0.243 40.675 40.800 0.196 0.000 0.909 418 D HN 0.306 nan 8.370 nan 0.000 0.520 419 S N -0.174 115.599 115.700 0.122 0.000 2.533 419 S HA 0.470 4.940 4.470 -0.000 0.000 0.282 419 S C 0.581 175.260 174.600 0.132 0.000 1.304 419 S CA -0.008 58.259 58.200 0.112 0.000 1.063 419 S CB 1.895 65.101 63.200 0.011 0.000 0.881 419 S HN 0.297 nan 8.310 nan 0.000 0.493 420 G N 0.839 109.747 108.800 0.179 0.000 2.392 420 G HA2 0.365 4.324 3.960 -0.000 0.000 0.260 420 G HA3 0.365 4.324 3.960 -0.000 0.000 0.260 420 G C -1.515 173.474 174.900 0.147 0.000 1.226 420 G CA -0.446 44.729 45.100 0.124 0.000 0.913 420 G HN 0.988 nan 8.290 nan 0.000 0.483 421 V N 1.345 121.311 119.914 0.085 0.000 2.320 421 V HA 0.418 4.537 4.120 -0.000 0.000 0.265 421 V C -0.579 175.529 176.094 0.023 0.000 1.048 421 V CA -0.366 61.965 62.300 0.052 0.000 0.865 421 V CB 0.070 31.933 31.823 0.066 0.000 1.043 421 V HN 0.466 nan 8.190 nan 0.000 0.474 422 W N 3.680 124.736 121.300 -0.408 0.000 2.253 422 W HA 0.647 5.307 4.660 -0.000 0.000 0.348 422 W C -0.138 176.320 176.519 -0.103 0.000 1.229 422 W CA -0.552 56.576 57.345 -0.362 0.000 1.335 422 W CB 0.876 29.954 29.460 -0.637 0.000 1.165 422 W HN 0.218 nan 8.180 nan 0.000 0.631 423 V N 1.847 121.919 119.914 0.262 0.000 2.686 423 V HA 0.272 4.392 4.120 -0.000 0.000 0.306 423 V C -0.663 175.559 176.094 0.214 0.000 1.065 423 V CA -1.234 61.223 62.300 0.263 0.000 0.894 423 V CB 1.572 33.462 31.823 0.111 0.000 1.004 423 V HN 0.585 nan 8.190 nan 0.000 0.424 424 c N 3.056 121.774 118.600 0.196 0.000 2.452 424 c HA 0.686 5.256 4.570 -0.000 0.000 0.379 424 c C 0.756 174.882 174.090 0.061 0.000 1.275 424 c CA -0.033 56.342 56.329 0.078 0.000 2.056 424 c CB 0.793 43.316 42.510 0.022 0.000 2.506 424 c HN 0.890 nan 8.230 nan 0.000 0.560 425 S N 2.173 117.900 115.700 0.046 0.000 2.594 425 S HA 0.744 5.214 4.470 -0.000 0.000 0.296 425 S C -1.141 173.497 174.600 0.062 0.000 1.124 425 S CA -0.392 57.833 58.200 0.041 0.000 1.011 425 S CB 0.854 64.056 63.200 0.004 0.000 1.016 425 S HN 0.562 nan 8.310 nan 0.000 0.485 426 V N 5.005 124.955 119.914 0.059 0.000 2.531 426 V HA 0.607 4.727 4.120 -0.000 0.000 0.301 426 V C -0.622 175.499 176.094 0.044 0.000 1.034 426 V CA -0.873 61.466 62.300 0.065 0.000 0.865 426 V CB 1.842 33.714 31.823 0.081 0.000 0.995 426 V HN 0.858 nan 8.190 nan 0.000 0.424 427 N N 2.773 121.492 118.700 0.032 0.000 2.480 427 N HA 0.676 5.416 4.740 -0.000 0.000 0.289 427 N C -0.433 175.081 175.510 0.006 0.000 1.073 427 N CA -0.014 53.047 53.050 0.018 0.000 0.885 427 N CB 2.182 40.674 38.487 0.008 0.000 1.421 427 N HN 0.884 nan 8.380 nan 0.000 0.503 428 T N -1.508 113.051 114.554 0.008 0.000 2.633 428 T HA 0.343 4.693 4.350 -0.000 0.000 0.262 428 T C 1.061 175.762 174.700 0.002 0.000 0.920 428 T CA -0.005 62.089 62.100 -0.010 0.000 1.062 428 T CB -0.007 68.849 68.868 -0.020 0.000 1.390 428 T HN 0.183 nan 8.240 nan 0.000 0.549 429 V N -1.266 118.644 119.914 -0.007 0.000 3.461 429 V HA 0.447 4.567 4.120 -0.000 0.000 0.267 429 V C 2.305 178.427 176.094 0.047 0.000 1.186 429 V CA 1.042 63.353 62.300 0.018 0.000 1.154 429 V CB -1.512 30.317 31.823 0.009 0.000 0.802 429 V HN 0.970 nan 8.190 nan 0.000 0.474 430 A N -0.066 122.781 122.820 0.045 0.000 2.251 430 A HA 0.643 4.963 4.320 -0.000 0.000 0.209 430 A C 1.301 178.924 177.584 0.066 0.000 1.187 430 A CA 0.848 52.928 52.037 0.072 0.000 0.823 430 A CB -0.593 18.456 19.000 0.082 0.000 0.846 430 A HN 1.574 nan 8.150 nan 0.000 0.486 431 G N -1.609 107.225 108.800 0.056 0.000 2.331 431 G HA2 0.223 4.183 3.960 -0.000 0.000 0.402 431 G HA3 0.223 4.183 3.960 -0.000 0.000 0.402 431 G C -0.748 174.177 174.900 0.042 0.000 1.275 431 G CA -0.235 44.897 45.100 0.053 0.000 1.003 431 G HN 0.708 nan 8.290 nan 0.000 0.500 432 M N 0.082 119.704 119.600 0.038 0.000 2.591 432 M HA 0.770 5.250 4.480 -0.000 0.000 0.306 432 M C -0.531 175.790 176.300 0.034 0.000 1.190 432 M CA -1.002 54.318 55.300 0.033 0.000 0.889 432 M CB 2.273 34.889 32.600 0.026 0.000 1.728 432 M HN 1.680 nan 8.290 nan 0.000 0.458 433 V N 0.204 120.141 119.914 0.038 0.000 2.971 433 V HA 0.738 4.858 4.120 -0.000 0.000 0.309 433 V C -1.458 174.662 176.094 0.044 0.000 1.130 433 V CA -0.607 61.717 62.300 0.040 0.000 0.964 433 V CB 2.148 33.997 31.823 0.044 0.000 1.029 433 V HN 0.975 nan 8.190 nan 0.000 0.427 434 E N 1.464 121.692 120.200 0.048 0.000 2.292 434 E HA 0.627 4.977 4.350 -0.000 0.000 0.272 434 E C -1.486 175.155 176.600 0.069 0.000 0.881 434 E CA -0.901 55.535 56.400 0.059 0.000 0.754 434 E CB 3.159 32.898 29.700 0.065 0.000 1.201 434 E HN 0.752 nan 8.360 nan 0.000 0.425 435 K N 2.898 123.347 120.400 0.082 0.000 2.443 435 K HA 0.421 4.740 4.320 -0.000 0.000 0.252 435 K C -2.767 173.935 176.600 0.169 0.000 0.933 435 K CA -2.064 54.278 56.287 0.091 0.000 0.792 435 K CB 1.922 34.449 32.500 0.044 0.000 1.185 435 K HN 0.188 nan 8.250 nan 0.000 0.425 436 P HA 0.327 nan 4.420 nan 0.000 0.298 436 P C -1.394 176.100 177.300 0.324 0.000 1.314 436 P CA -0.568 62.686 63.100 0.256 0.000 0.854 436 P CB 0.557 32.357 31.700 0.167 0.000 1.019 437 F N 0.105 120.083 119.950 0.047 0.000 2.578 437 F HA 0.561 5.088 4.527 -0.000 0.000 0.311 437 F C -0.603 175.206 175.800 0.014 0.000 1.094 437 F CA -1.220 56.773 58.000 -0.012 0.000 0.923 437 F CB 1.665 40.657 39.000 -0.013 0.000 1.230 437 F HN 0.078 nan 8.300 nan 0.000 0.450 438 N N 3.823 122.444 118.700 -0.132 0.000 2.422 438 N HA 0.395 5.135 4.740 -0.000 0.000 0.264 438 N C -1.102 174.342 175.510 -0.109 0.000 1.063 438 N CA -0.204 52.769 53.050 -0.130 0.000 0.959 438 N CB 1.049 39.478 38.487 -0.097 0.000 1.087 438 N HN 0.721 nan 8.380 nan 0.000 0.483 439 I N 1.720 122.172 120.570 -0.196 0.000 2.354 439 I HA 0.183 4.352 4.170 -0.000 0.000 0.292 439 I C 0.137 176.182 176.117 -0.120 0.000 0.989 439 I CA -0.573 60.577 61.300 -0.250 0.000 1.188 439 I CB 1.645 39.250 38.000 -0.659 0.000 1.342 439 I HN 0.232 nan 8.210 nan 0.000 0.457 440 S N 5.027 120.677 115.700 -0.083 0.000 2.449 440 S HA 0.573 5.043 4.470 -0.000 0.000 0.310 440 S C -0.385 174.150 174.600 -0.107 0.000 1.096 440 S CA -0.564 57.602 58.200 -0.057 0.000 1.095 440 S CB 1.840 65.030 63.200 -0.017 0.000 1.007 440 S HN 0.303 nan 8.310 nan 0.000 0.474 441 V N 4.663 124.517 119.914 -0.100 0.000 2.487 441 V HA 0.518 4.638 4.120 -0.000 0.000 0.298 441 V C -0.195 175.860 176.094 -0.065 0.000 1.028 441 V CA -0.637 61.593 62.300 -0.116 0.000 0.860 441 V CB 1.635 33.371 31.823 -0.145 0.000 0.991 441 V HN 0.741 nan 8.190 nan 0.000 0.427 442 K N 2.421 122.788 120.400 -0.054 0.000 2.400 442 K HA 0.796 5.116 4.320 -0.000 0.000 0.246 442 K C -1.008 175.576 176.600 -0.027 0.000 0.995 442 K CA -0.878 55.390 56.287 -0.033 0.000 0.840 442 K CB 2.778 35.263 32.500 -0.025 0.000 1.293 442 K HN 0.551 nan 8.250 nan 0.000 0.445 443 V N -0.344 119.560 119.914 -0.017 0.000 2.539 443 V HA 0.434 4.554 4.120 -0.000 0.000 0.292 443 V C 0.031 176.122 176.094 -0.006 0.000 1.045 443 V CA -1.137 61.157 62.300 -0.010 0.000 0.945 443 V CB 0.731 32.551 31.823 -0.005 0.000 0.993 443 V HN 0.581 nan 8.190 nan 0.000 0.464 444 L N 4.516 125.737 121.223 -0.002 0.000 2.490 444 L HA 0.281 4.621 4.340 -0.000 0.000 0.274 444 L C -1.229 175.642 176.870 0.001 0.000 1.201 444 L CA -0.921 53.919 54.840 0.000 0.000 0.869 444 L CB -0.205 41.857 42.059 0.004 0.000 1.123 444 L HN 0.637 nan 8.230 nan 0.000 0.484 445 P HA 0.000 nan 4.420 nan 0.000 0.216 445 P CA 0.000 63.100 63.100 0.001 0.000 0.800 445 P CB 0.000 31.700 31.700 -0.000 0.000 0.726